data_r5al9sf
# 
_audit.revision_id     1_0 
_audit.creation_date   ? 
_audit.update_record   'Initial release' 
# 
_cell.entry_id      5al9 
_cell.length_a      142.4394 
_cell.length_b      57.8599 
_cell.length_c      36.6199 
_cell.angle_alpha   90.0000 
_cell.angle_beta    97.5900 
_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   1.00002 
# 
_diffrn_reflns.diffrn_id         1 
_diffrn_reflns.pdbx_d_res_high   1.365 
_diffrn_reflns.pdbx_d_res_low    70.596 
_diffrn_reflns.limit_h_max       103 
_diffrn_reflns.limit_h_min       -104 
_diffrn_reflns.limit_k_max       42 
_diffrn_reflns.limit_k_min       0 
_diffrn_reflns.limit_l_max       26 
_diffrn_reflns.limit_l_min       0 
_diffrn_reflns.number            62704 
_diffrn_reflns.pdbx_number_obs   61602 
# 
_entry.id   5al9 
# 
_exptl_crystal.id   1 
# 
_reflns_scale.group_code   1 
# 
_symmetry.entry_id               5al9 
_symmetry.space_group_name_H-M   'C 1 2 1' 
_symmetry.Int_Tables_number      5 
# 
loop_
_symmetry_equiv.id 
_symmetry_equiv.pos_as_xyz 
1 'X,  Y,  Z'           
2 '-X,  Y,  -Z'         
3 'X+1/2,  Y+1/2,  Z'   
4 '-X+1/2,  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 -104    2    2 o   55.151   11.648  1373.65  505.258   0.0000   0.0000  1373.65  505.258  ?   ?    55.151   11.648 0.000000 11.64811 
1 1 1 -104    2    3 o   32.652   11.681  423.031  392.278   0.0000   0.0000  423.031  392.278  ?   ?    32.652   11.681 0.000000 11.68062 
1 1 1 -104    2    4 o   80.695   13.255  2995.81  838.326   0.0000   0.0000  2995.81  838.326  ?   ?    80.695   13.255 0.000000 13.25509 
1 1 1 -104    2    5 o  154.145   15.287 11289.20  1888.14   0.0000   0.0000 11289.20  1888.14  ?   ?   154.145   15.287 0.000000 15.28737 
1 1 1 -103    1    2 o   26.276   10.566  162.851  345.194   0.0000   0.0000  162.851  345.194  ?   ?    26.276   10.566 0.000000 10.56571 
1 1 1 -103    1    3 o   58.608   13.212  1579.85  613.707   0.0000   0.0000  1579.85  613.707  ?   ?    58.608   13.212 0.000000 13.21220 
1 1 1 -103    1    4 o  132.619   13.999  8027.50  1484.65   0.0000   0.0000  8027.50  1484.65  ?   ?   132.619   13.999 0.000000 13.99893 
1 1 1 -103    1    5 o   73.098   14.591  2523.04  835.667   0.0000   0.0000  2523.04  835.667  ?   ?    73.098   14.591 0.000000 14.59061 
1 1 1 -103    1    6 o   84.531   11.366  3203.77  760.359  3483.05  1146.06  2984.19  1016.23   83.156   17.526   77.565   16.635 5.590614 24.16363 
1 1 1 -103    1    7 o  152.220   12.045 10514.75  1476.55  9747.55  2129.21 11225.52  2049.40  135.056   20.023  149.594   17.184 -14.53802 26.38574 
1 1 1 -103    3    1 o   49.126   23.662 -1806.8030  2798.16   0.0000   0.0000 -1806.8030  2798.16  ?   ?    49.126   23.662 0.000000 23.66239 
1 1 1 -103    3    2 o   40.056   10.665  715.866  353.020   0.0000   0.0000  715.866  353.020  ?   ?    40.056   10.665 0.000000 10.66475 
1 1 1 -103    3    3 o   34.317   11.418  499.228  372.205   0.0000   0.0000  499.228  372.205  ?   ?    34.317   11.418 0.000000 11.41834 
1 1 1 -103    3    4 o  103.653   12.019  4789.40  992.807   0.0000   0.0000  4789.40  992.807  ?   ?   103.653   12.019 0.000000 12.01938 
1 1 1 -103    3    5 o   64.650   14.379  1982.62  735.326   0.0000   0.0000  1982.62  735.326  ?   ?    64.650   14.379 0.000000 14.37946 
1 1 1 -103    3    6 o   83.992   14.044  3319.68  923.995   0.0000   0.0000  3319.68  923.995  ?   ?    83.992   14.044 0.000000 14.04441 
1 1 1 -103    3    7 o   69.080   15.962  2393.63  877.299   0.0000   0.0000  2393.63  877.299  ?   ?    69.080   15.962 0.000000 15.96153 
1 1 1 -103    5    1 o   68.032   31.605  2129.95  4201.34   0.0000   0.0000  2129.95  4201.34  ?   ?    68.032   31.605 0.000000 31.60471 
1 1 1 -103    5    2 o   60.004   28.932 -437.4969  4209.03   0.0000   0.0000 -437.4969  4209.03  ?   ?    60.004   28.932 0.000000 28.93188 
1 1 1 -103    5    3 o   35.994   11.022  571.241  352.410   0.0000   0.0000  571.241  352.410  ?   ?    35.994   11.022 0.000000 11.02235 
1 1 1 -103    5    4 o   53.047   11.844  1284.39  497.230   0.0000   0.0000  1284.39  497.230  ?   ?    53.047   11.844 0.000000 11.84363 
1 1 1 -103    5    5 o   15.746   7.6321 -474.5316  302.531   0.0000   0.0000 -474.5316  302.531  ?   ?    15.746   7.6321 0.000000 7.632131 
1 1 1 -103    5    6 o   27.931   12.143   25.276  513.464   0.0000   0.0000   25.276  513.464  ?   ?    27.931   12.143 0.000000 12.14337 
1 1 1 -102    0    2 o  115.397   12.457  5842.45  1132.80   0.0000   0.0000  5842.45  1132.80  115.397   12.457  115.397   12.457 -0.000000 0.000000 
1 1 1 -102    0    3 o  120.540   13.093  6401.57  1243.17  6401.57  1243.17   0.0000   0.0000  120.540   13.093  120.540   13.093 0.000000 0.000000 
1 1 1 -102    0    4 o  104.459   14.652  4948.34  1172.60  4948.34  1172.60   0.0000   0.0000  104.459   14.652  104.459   14.652 0.000000 0.000000 
1 1 1 -102    0    5 o  119.173   15.935  6485.75  1464.65   0.0000   0.0000  6485.75  1464.65  119.173   15.935  119.173   15.935 -0.000000 0.000000 
1 1 1 -102    0    6 o   25.632   16.368  161.213  758.487  161.213  758.487   0.0000   0.0000   25.632   16.368   25.632   16.368 0.000000 0.000000 
1 1 1 -102    0    7 o   37.209   20.573  942.202  908.587   0.0000   0.0000  942.202  908.587   37.209   20.573   37.209   20.573 -0.000000 0.000000 
1 1 1 -102    0    8 o   41.294   21.340  1195.95  919.916   0.0000   0.0000  1195.95  919.916   41.294   21.340   41.294   21.340 -0.000000 0.000000 
1 1 1 -102    0    9 f  146.740   19.176 10296.53  2176.75 10296.53  2176.75   0.0000   0.0000  146.740   19.176  146.740   19.176 0.000000 0.000000 
1 1 1 -102    2    1 o  111.070   10.693  5320.90  952.458   0.0000   0.0000  5320.90  952.458  ?   ?   111.070   10.693 0.000000 10.69323 
1 1 1 -102    2    2 o  126.542   12.102  7018.50  1228.30   0.0000   0.0000  7018.50  1228.30  ?   ?   126.542   12.102 0.000000 12.10210 
1 1 1 -102    2    3 o   68.467   11.200  2068.11  601.117   0.0000   0.0000  2068.11  601.117  ?   ?    68.467   11.200 0.000000 11.20018 
1 1 1 -102    2    4 o  114.705   12.532  5852.84  1148.23   0.0000   0.0000  5852.84  1148.23  ?   ?   114.705   12.532 0.000000 12.53234 
1 1 1 -102    2    5 o   17.163   8.3394 -597.0005  367.259  579.695  653.038 -1141.3170  444.152   39.032   14.866   16.293   8.1402 22.73943 16.94911 
1 1 1 -102    2    6 o   59.879   12.337  1644.51  579.852  1393.71  957.239  1789.88  728.777   53.007   18.304   61.103   14.837 -8.096035 23.56199 
1 1 1 -102    2    7 o   44.012   14.210  910.305  578.335  1165.07  944.709  757.599  731.406   49.070   18.045   41.996   15.794 7.074795 23.98058 
1 1 1 -102    2    8 o   24.169   11.474 -580.3671  608.726  105.446  954.784 -1050.0420  790.135   36.501   16.188   25.322   12.287 11.17925 20.32313 
1 1 1 -102    4    1 o   57.903   27.278 -398.3583  3317.70   0.0000   0.0000 -398.3583  3317.70  ?   ?    57.903   27.278 0.000000 27.27830 
1 1 1 -102    4    2 o   79.902   10.242  2766.58  649.167   0.0000   0.0000  2766.58  649.167  ?   ?    79.902   10.242 0.000000 10.24179 
1 1 1 -102    4    3 o   33.815   10.751  490.590  332.011   0.0000   0.0000  490.590  332.011  ?   ?    33.815   10.751 0.000000 10.75094 
1 1 1 -102    4    4 o   41.958   11.920  795.518  425.181   0.0000   0.0000  795.518  425.181  ?   ?    41.958   11.920 0.000000 11.92023 
1 1 1 -102    4    5 o   66.383   13.234  2031.98  688.266   0.0000   0.0000  2031.98  688.266  ?   ?    66.383   13.234 0.000000 13.23357 
1 1 1 -102    4    6 o   33.714   12.958  404.651  499.005   0.0000   0.0000  404.651  499.005  ?   ?    33.714   12.958 0.000000 12.95850 
1 1 1 -102    4    7 o   50.439   15.373  1251.36  686.570   0.0000   0.0000  1251.36  686.570  ?   ?    50.439   15.373 0.000000 15.37312 
1 1 1 -102    4    8 o   80.624   16.078  3267.23  1015.64   0.0000   0.0000  3267.23  1015.64  ?   ?    80.624   16.078 0.000000 16.07831 
1 1 1 -102    6    1 o   61.121   29.492 -824.0175  4392.65   0.0000   0.0000 -824.0175  4392.65  ?   ?    61.121   29.492 0.000000 29.49206 
1 1 1 -102    6    2 o   54.961   27.181 -3678.8149  4470.25   0.0000   0.0000 -3678.8149  4470.25  ?   ?    54.961   27.181 0.000000 27.18064 
1 1 1 -102    6    3 o   58.465   29.195 -4173.5898  5676.94   0.0000   0.0000 -4173.5898  5676.94  ?   ?    58.465   29.195 0.000000 29.19468 
1 1 1 -102    6    4 o   56.552   10.798  1426.37  477.744   0.0000   0.0000  1426.37  477.744  ?   ?    56.552   10.798 0.000000 10.79804 
1 1 1 -102    6    5 f   41.674   12.274  793.812  443.375   0.0000   0.0000  793.812  443.375  ?   ?    41.674   12.274 0.000000 12.27430 
1 1 1 -102    6    6 o   82.234   12.174  3076.55  788.319   0.0000   0.0000  3076.55  788.319  ?   ?    82.234   12.174 0.000000 12.17415 
1 1 1 -102    6    7 o   83.377   13.409  3266.71  877.031   0.0000   0.0000  3266.71  877.031  ?   ?    83.377   13.409 0.000000 13.40931 
1 1 1 -102    8    1 o   85.337   38.941  8279.32  5989.52   0.0000   0.0000  8279.32  5989.52  ?   ?    85.337   38.941 0.000000 38.94127 
1 1 1 -102    8    2 o   82.769   38.807  8499.06  6577.22   0.0000   0.0000  8499.06  6577.22  ?   ?    82.769   38.807 0.000000 38.80713 
1 1 1 -102    8    3 o   58.294   29.410 -5494.0879  6552.71   0.0000   0.0000 -5494.0879  6552.71  ?   ?    58.294   29.410 0.000000 29.41040 
1 1 1 -102    8    4 o   58.067   29.470 -6257.6392  7217.97   0.0000   0.0000 -6257.6392  7217.97  ?   ?    58.067   29.470 0.000000 29.47021 
1 1 1 -102    8    5 f   40.635   10.829  750.569  363.757   0.0000   0.0000  750.569  363.757  ?   ?    40.635   10.829 0.000000 10.82891 
1 1 1 -101    1    1 o   37.842   8.5113  622.045  255.185  492.396  392.286  717.153  335.992   34.663   11.723   40.360   10.237 -5.697067 15.56384 
1 1 1 -101    1    2 o   50.808   8.5441  1108.83  339.971  1004.80  530.388  1181.38  442.929   47.166   13.284   51.715   10.892 -4.549561 17.17830 
1 1 1 -101    1    3 o   87.329   8.6393  3232.80  604.566  3338.27  899.699  3145.96  816.338   86.427   13.243   84.393   12.273 2.034172 18.05509 
1 1 1 -101    1    4 o   63.562   10.340  1764.88  515.305  1087.26  784.584  2278.93  683.359   48.924   16.579   71.507   12.208 -22.58289 20.58867 
1 1 1 -101    1    5 f   78.773   10.801  2717.61  672.652  3734.61  1047.50  2003.97  877.474   89.891   14.872   64.394   16.657 25.49625 22.32956 
1 1 1 -101    1    6 o   44.583   13.856  913.018  554.590  1063.42  831.224  792.354  744.534   48.113   17.025   43.320   16.005 4.793480 23.36670 
1 1 1 -101    1    7 o  125.484   11.104  6952.27  1119.70  6633.03  1615.56  7247.36  1553.25  115.821   17.744  123.224   15.895 -7.402199 23.82239 
1 1 1 -101    1    8 o   42.644   14.970  834.905  641.559 -268.7601  980.417  1661.41  848.430   34.178   15.656   57.003   17.026 -22.82547 23.13017 
1 1 1 -101    1    9 o   43.542   15.481  904.790  688.081  715.395  1063.80  1041.02  902.228   43.339   18.105   46.299   17.512 -2.960506 25.18903 
1 1 1 -101    1   10 o  105.120   13.827  5365.77  1151.54  5228.04  1729.90  5475.35  1543.10   90.100   23.427   97.907   20.084 -7.807076 30.85813 
1 1 1 -101    3    1 o   74.825   32.870  2973.56  3848.24   0.0000   0.0000  2973.56  3848.24  ?   ?    74.825   32.870 0.000000 32.86966 
1 1 1 -101    3    2 o  148.623   12.587  9672.52  1504.64   0.0000   0.0000  9672.52  1504.64  ?   ?   148.623   12.587 0.000000 12.58660 
1 1 1 -101    3    3 o  108.176   11.229  5082.62  971.911   0.0000   0.0000  5082.62  971.911  ?   ?   108.176   11.229 0.000000 11.22878 
1 1 1 -101    3    4 o   29.073   10.898  290.233  347.687   0.0000   0.0000  290.233  347.687  ?   ?    29.073   10.898 0.000000 10.89790 
1 1 1 -101    3    5 o   28.258   11.124  227.410  374.789  222.019  727.669  229.356  437.247   35.308   14.876   29.701   11.909 5.607765 19.05591 
1 1 1 -101    3    6 o   38.808   13.357  649.785  509.537  1575.96  897.513  209.299  618.956   56.371   17.645   32.974   13.796 23.39743 22.39794 
1 1 1 -101    3    7 o   37.417   13.996  557.037  572.877  230.731  1012.26  710.797  694.863   39.175   17.041   41.208   15.414 -2.033295 22.97813 
1 1 1 -101    3    8 o   33.386   13.857  277.132  617.445  150.165  1016.40  351.392  777.311   38.023   16.790   36.785   15.430 1.238003 22.80330 
1 1 1 -101    3    9 o   30.914   13.451   89.974  630.934 -327.6514  1077.43  307.927  778.350   34.667   16.070   35.827   15.253 -1.159874 22.15627 
1 1 1 -101    5    1 o   75.510   34.241  3149.44  4538.98   0.0000   0.0000  3149.44  4538.98  ?   ?    75.510   34.241 0.000000 34.24059 
1 1 1 -101    5    2 o   68.676   31.914  1511.84  4289.64   0.0000   0.0000  1511.84  4289.64  ?   ?    68.676   31.914 0.000000 31.91432 
1 1 1 -101    5    3 o   87.220   10.278  3289.28  713.913   0.0000   0.0000  3289.28  713.913  ?   ?    87.220   10.278 0.000000 10.27807 
1 1 1 -101    5    4 o   59.121   10.938  1548.95  505.741   0.0000   0.0000  1548.95  505.741  ?   ?    59.121   10.938 0.000000 10.93822 
1 1 1 -101    5    5 o   49.902   12.457  1141.09  503.193   0.0000   0.0000  1141.09  503.193  ?   ?    49.902   12.457 0.000000 12.45743 
1 1 1 -101    5    6 o   44.829   13.455  931.407  528.885   0.0000   0.0000  931.407  528.885  ?   ?    44.829   13.455 0.000000 13.45485 
1 1 1 -101    5    7 o  118.080   13.634  6449.22  1283.12   0.0000   0.0000  6449.22  1283.12  ?   ?   118.080   13.634 0.000000 13.63351 
1 1 1 -101    5    8 o   90.497   14.742  3944.71  1045.95   0.0000   0.0000  3944.71  1045.95  ?   ?    90.497   14.742 0.000000 14.74188 
1 1 1 -101    5    9 o   44.094   16.031  946.782  742.547   0.0000   0.0000  946.782  742.547  ?   ?    44.094   16.031 0.000000 16.03104 
1 1 1 -101    7    1 o   73.701   33.999  2970.69  4737.39   0.0000   0.0000  2970.69  4737.39  ?   ?    73.701   33.999 0.000000 33.99920 
1 1 1 -101    7    2 o   77.423   35.982  4370.46  5454.89   0.0000   0.0000  4370.46  5454.89  ?   ?    77.423   35.982 0.000000 35.98237 
1 1 1 -101    7    3 o   65.725   32.524 -1270.8750  6437.44   0.0000   0.0000 -1270.8750  6437.44  ?   ?    65.725   32.524 0.000000 32.52403 
1 1 1 -101    7    4 f  120.801   11.614  6424.50  1125.16   0.0000   0.0000  6424.50  1125.16  ?   ?   120.801   11.614 0.000000 11.61420 
1 1 1 -101    7    5 o   27.860   10.603  258.394  332.055   0.0000   0.0000  258.394  332.055  ?   ?    27.860   10.603 0.000000 10.60336 
1 1 1 -101    7    6 o   81.869   11.765  3016.96  759.617   0.0000   0.0000  3016.96  759.617  ?   ?    81.869   11.765 0.000000 11.76509 
1 1 1 -101    7    7 o   59.959   13.376  1703.47  634.663   0.0000   0.0000  1703.47  634.663  ?   ?    59.959   13.376 0.000000 13.37608 
1 1 1 -101    7    8 o   53.723   14.972  1443.46  677.525   0.0000   0.0000  1443.46  677.525  ?   ?    53.723   14.972 0.000000 14.97242 
1 1 1 -101    9    1 f   49.382   24.633 -5335.6460  3997.26   0.0000   0.0000 -5335.6460  3997.26  ?   ?    49.382   24.633 0.000000 24.63322 
1 1 1 -101    9    2 o   77.144   37.062  5565.90  6761.40   0.0000   0.0000  5565.90  6761.40  ?   ?    77.144   37.062 0.000000 37.06219 
1 1 1 -101    9    3 o   88.094   42.280 14653.66  8750.88   0.0000   0.0000 14653.66  8750.88  ?   ?    88.094   42.280 0.000000 42.28049 
1 1 1 -101    9    4 o   75.681   37.827  9014.99  9633.08   0.0000   0.0000  9014.99  9633.08  ?   ?    75.681   37.827 0.000000 37.82710 
1 1 1 -101    9    5 o   72.733   10.783  2352.16  617.529   0.0000   0.0000  2352.16  617.529  ?   ?    72.733   10.783 0.000000 10.78307 
1 1 1 -101    9    6 f   49.977   11.325  1145.87  448.929   0.0000   0.0000  1145.87  448.929  ?   ?    49.977   11.325 0.000000 11.32485 
1 1 1 -101    9    7 o   55.307   11.874  1424.21  517.285   0.0000   0.0000  1424.21  517.285  ?   ?    55.307   11.874 0.000000 11.87374 
1 1 1 -100    0    1 o   27.226   13.218  462.022  342.157  462.022  342.157   0.0000   0.0000   27.226   13.218   27.226   13.218 0.000000 0.000000 
1 1 1 -100    0    2 o   17.309   10.964   58.577  332.221   0.0000   0.0000   58.577  332.221   17.309   10.964   17.309   10.964 -0.000000 0.000000 
1 1 1 -100    0    3 o   27.042   14.718  449.714  456.960   0.0000   0.0000  449.714  456.960   27.042   14.718   27.042   14.718 -0.000000 0.000000 
1 1 1 -100    0    4 o  111.823   13.597  5523.88  1185.91   0.0000   0.0000  5523.88  1185.91  111.823   13.597  111.823   13.597 -0.000000 0.000000 
1 1 1 -100    0    5 o   50.722   19.647  1523.24  769.249   0.0000   0.0000  1523.24  769.249   50.722   19.647   50.722   19.647 -0.000000 0.000000 
1 1 1 -100    0    6 o  179.999   16.858 14475.83  2414.25   0.0000   0.0000 14475.83  2414.25  179.999   16.858  179.999   16.858 -0.000000 0.000000 
1 1 1 -100    0    7 o  213.723   19.270 20879.77  3281.56   0.0000   0.0000 20879.77  3281.56  213.723   19.270  213.723   19.270 -0.000000 0.000000 
1 1 1 -100    0    8 o   32.617   19.428  607.918  903.936   0.0000   0.0000  607.918  903.936   32.617   19.428   32.617   19.428 -0.000000 0.000000 
1 1 1 -100    0    9 o   30.977   19.315  423.109  988.364  423.109  988.364   0.0000   0.0000   30.977   19.315   30.977   19.315 0.000000 0.000000 
1 1 1 -100    0   10 o   63.698   26.130  2688.17  1334.40  2688.17  1334.40   0.0000   0.0000   63.698   26.130   63.698   26.130 0.000000 0.000000 
1 1 1 -100    2    1 o   71.465   9.6128  2184.29  543.658  605.349  2378.98  2271.30  558.435   58.054   25.659   72.872   9.6772 -14.81763 27.42301 
1 1 1 -100    2    2 o   86.599   7.7867  3144.68  541.673  2954.85  858.832  3270.07  698.014   81.456   13.455   87.443   10.012 -5.986549 16.77097 
1 1 1 -100    2    3 o   30.123   10.192  364.310  296.498  130.320  589.035  443.716  343.139   31.813   13.393   32.861   10.965 -1.048187 17.30866 
1 1 1 -100    2    4 o   83.951   9.3894  3010.60  629.066  2528.91  1006.52  3319.36  805.843   72.792   17.287   87.067   11.694 -14.27468 20.87072 
1 1 1 -100    2    5 o  130.473   10.189  7308.57  1070.91  6017.75  1605.24  8343.85  1437.59  111.934   18.294  137.128   13.069 -25.19422 22.48297 
1 1 1 -100    2    6 o   56.463   13.077  1463.71  587.724  1343.75  974.786  1532.22  736.684   53.143   18.464   56.743   15.535 -3.599285 24.12970 
1 1 1 -100    2    7 o   37.911   14.042  571.683  573.819  482.851  955.331  621.820  717.711   41.373   17.210   40.344   15.532 1.029976 23.18271 
1 1 1 -100    2    8 f   29.769   13.055  -4.4014  604.708 -861.5569  885.095  745.950  828.118   28.655   13.669   42.803   16.626 -14.14862 21.52423 
1 1 1 -100    2    9 o   21.815   10.560 -796.7819  574.469 -1902.5160  928.033 -109.8675  731.458   24.324   12.090   30.969   13.921 -6.644556 18.43829 
1 1 1 -100    2   10 o   71.866   15.926  2639.04  904.865  2159.66  1461.60  2936.97  1152.22   58.541   22.254   72.242   19.283 -13.70077 29.44623 
1 1 1 -100    4    1 o   65.250   29.579  913.785  3384.14   0.0000   0.0000  913.785  3384.14  ?   ?    65.250   29.579 0.000000 29.57894 
1 1 1 -100    4    2 o   54.052   25.894 -1856.3170  3248.31   0.0000   0.0000 -1856.3170  3248.31  ?   ?    54.052   25.894 0.000000 25.89373 
1 1 1 -100    4    3 o   29.819   10.284  350.744  302.142   0.0000   0.0000  350.744  302.142  ?   ?    29.819   10.284 0.000000 10.28405 
1 1 1 -100    4    4 o   32.270   10.765  429.793  330.777  1477.54  724.815  154.184  371.745   56.196   15.419   26.883   10.910 29.31332 18.88855 
1 1 1 -100    4    5 o   53.804   12.354  1311.91  528.315 -427.0998  3195.99  1360.76  535.685   56.483   26.659   54.823   12.333 1.660255 29.37352 
1 1 1 -100    4    6 o   48.666   13.133  1092.37  530.979  1345.99  991.328  990.331  628.782   53.049   18.609   46.367   14.801 6.681850 23.77737 
1 1 1 -100    4    7 o   24.941   11.099 -101.7008  452.538  615.930  1037.27 -270.4059  502.925   43.603   18.018   24.424   11.197 19.17874 21.21401 
1 1 1 -100    4    8 o   76.734   13.011  2724.75  781.708  1939.69  1466.22  3036.52  923.979   58.994   22.322   79.704   14.823 -20.70940 26.79538 
1 1 1 -100    4    9 o   50.044   15.459  1250.97  691.465 -112.8356  1345.87  1740.05  805.969   39.754   18.259   58.263   16.363 -18.50954 24.51826 
1 1 1 -100    4   10 o   36.703   15.187  449.519  738.284  514.763  1369.86  422.809  876.470   43.231   19.269   37.969   16.176 5.262032 25.15820 
1 1 1 -100    6    1 o   81.721   35.814  4410.84  4544.62   0.0000   0.0000  4410.84  4544.62  ?   ?    81.721   35.814 0.000000 35.81391 
1 1 1 -100    6    2 o   97.776   41.559  9246.11  5761.31   0.0000   0.0000  9246.11  5761.31  ?   ?    97.776   41.559 0.000000 41.55898 
1 1 1 -100    6    3 o   98.207   44.657 12877.87  7789.50   0.0000   0.0000 12877.87  7789.50  ?   ?    98.207   44.657 0.000000 44.65701 
1 1 1 -100    6    4 o   99.567   10.983  4312.16  873.142   0.0000   0.0000  4312.16  873.142  ?   ?    99.567   10.983 0.000000 10.98290 
1 1 1 -100    6    5 o   46.536   12.145  984.185  463.769   0.0000   0.0000  984.185  463.769  ?   ?    46.536   12.145 0.000000 12.14466 
1 1 1 -100    6    6 o   74.615   12.046  2501.57  704.923   0.0000   0.0000  2501.57  704.923  ?   ?    74.615   12.046 0.000000 12.04556 
1 1 1 -100    6    7 o   52.691   14.205  1323.38  621.540   0.0000   0.0000  1323.38  621.540  ?   ?    52.691   14.205 0.000000 14.20458 
1 1 1 -100    6    8 o   54.968   15.224  1491.03  702.763   0.0000   0.0000  1491.03  702.763  ?   ?    54.968   15.224 0.000000 15.22367 
1 1 1 -100    6    9 f   36.459   14.659  471.461  664.427   0.0000   0.0000  471.461  664.427  ?   ?    36.459   14.659 0.000000 14.65926 
1 1 1 -100    8    1 o   86.192   38.320  6328.79  5382.26   0.0000   0.0000  6328.79  5382.26  ?   ?    86.192   38.320 0.000000 38.31974 
1 1 1 -100    8    2 o   77.012   36.373  3769.26  5968.13   0.0000   0.0000  3769.26  5968.13  ?   ?    77.012   36.373 0.000000 36.37337 
1 1 1 -100    8    3 o   54.472   27.495 -8608.0312  5764.27   0.0000   0.0000 -8608.0312  5764.27  ?   ?    54.472   27.495 0.000000 27.49481 
1 1 1 -100    8    4 o   69.685   34.667  424.702  7698.31   0.0000   0.0000  424.702  7698.31  ?   ?    69.685   34.667 0.000000 34.66739 
1 1 1 -100    8    5 o   90.891   10.813  3624.03  782.375   0.0000   0.0000  3624.03  782.375  ?   ?    90.891   10.813 0.000000 10.81339 
1 1 1 -100    8    6 o   35.941   11.094  572.599  356.218   0.0000   0.0000  572.599  356.218  ?   ?    35.941   11.094 0.000000 11.09435 
1 1 1 -100    8    7 o   63.390   12.764  1868.03  634.216   0.0000   0.0000  1868.03  634.216  ?   ?    63.390   12.764 0.000000 12.76356 
1 1 1 -100    8    8 o   38.586   13.845  657.641  551.545   0.0000   0.0000  657.641  551.545  ?   ?    38.586   13.845 0.000000 13.84534 
1 1 1 -100    8    9 o   36.554   13.454  581.489  525.274   0.0000   0.0000  581.489  525.274  ?   ?    36.554   13.454 0.000000 13.45368 
1 1 1 -100   10    1 o   77.616   36.350  4652.74  5743.07   0.0000   0.0000  4652.74  5743.07  ?   ?    77.616   36.350 0.000000 36.35032 
1 1 1 -100   10    2 o   73.058   35.746  2833.23  7087.47   0.0000   0.0000  2833.23  7087.47  ?   ?    73.058   35.746 0.000000 35.74641 
1 1 1 -100   10    3 o   71.548   35.574  2361.66  8057.77   0.0000   0.0000  2361.66  8057.77  ?   ?    71.548   35.574 0.000000 35.57375 
1 1 1 -100   10    4 o   69.043   34.731  1353.98  8771.93   0.0000   0.0000  1353.98  8771.93  ?   ?    69.043   34.731 0.000000 34.73054 
1 1 1 -100   10    5 o   67.299   34.321  831.752 10711.98   0.0000   0.0000  831.752 10711.98  ?   ?    67.299   34.321 0.000000 34.32064 
1 1 1 -100   10    6 o   26.505   10.633  183.152  348.710   0.0000   0.0000  183.152  348.710  ?   ?    26.505   10.633 0.000000 10.63289 
1 1 1 -100   10    7 o   80.985   11.616  2984.78  741.952   0.0000   0.0000  2984.78  741.952  ?   ?    80.985   11.616 0.000000 11.61581 
1 1 1 -100   12    3 o   77.518   38.805 12447.35 10319.46   0.0000   0.0000 12447.35 10319.46  ?   ?    77.518   38.805 0.000000 38.80545 
1 1 1 -100   12    4 o   43.580   22.399 -17328.5000  5615.52   0.0000   0.0000 -17328.5000  5615.52  ?   ?    43.580   22.399 0.000000 22.39890 
1 1 1  -99    1    1 o  125.563   8.0654  6578.86  817.939  5833.35  1174.49  7280.94  1139.78  115.920   12.685  130.733   10.835 -14.81332 16.68270 
1 1 1  -99    1    2 o   79.811   7.4886  2662.80  479.617  2642.91  721.753  2678.53  641.824   77.922   11.775   79.088   10.235 -1.165962 15.60097 
1 1 1  -99    1    3 o   56.084   9.4070  1353.90  413.208  1235.57  637.353  1439.69  542.718   52.149   14.518   56.951   12.109 -4.801674 18.90483 
1 1 1  -99    1    4 o   36.601   11.275  577.513  368.101   40.978  631.005  854.284  453.205   31.624   13.605   43.805   12.259 -12.18084 18.31305 
1 1 1  -99    1    5 o   33.193   12.199  404.485  431.632   16.472  673.278  675.235  562.413   32.154   13.942   40.298   14.023 -8.143265 19.77475 
1 1 1  -99    1    6 o   41.917   12.891  783.237  481.426  105.109  784.804  1192.38  609.597   35.194   15.156   50.816   14.216 -15.62196 20.78027 
1 1 1  -99    1    7 o   43.255   14.156  839.974  572.924  996.323  873.081  721.732  759.263   47.544   17.368   42.553   16.072 4.991322 23.66370 
1 1 1  -99    1    8 o   65.709   14.662  2047.68  762.411  1690.68  1108.17  2368.53  1050.56   57.412   19.701   68.058   18.518 -10.64599 27.03789 
1 1 1  -99    1    9 o   24.345   11.355 -399.3914  551.148 -1138.2120  866.157  103.285  714.449   26.638   12.912   33.078   14.353 -6.440239 19.30580 
1 1 1  -99    1   10 o   37.507   15.114  501.818  707.941  861.907  1102.47  249.150  923.498   45.262   18.626   37.318   16.255 7.944153 24.72164 
1 1 1  -99    1   11 o   34.446   14.876  246.996  760.221  751.751  1201.18 -90.2862  981.895   43.673   18.779   34.501   15.753 9.171707 24.51135 
1 1 1  -99    3    1 o  134.676   12.492  7849.24  1350.45  7779.06  1414.87  8567.69  4527.08  133.581   13.218  108.353   39.554 25.22813 41.70423 
1 1 1  -99    3    2 o  180.204   11.145 13865.19  1622.71  9764.50  2344.07 17638.75  2248.63  142.751   20.837  200.674   13.886 -57.92313 25.04006 
1 1 1  -99    3    3 o  135.383   11.993  7927.58  1304.75  4004.64  3860.81  8433.38  1386.32   81.531   34.303  139.388   12.378 -57.85744 36.46793 
1 1 1  -99    3    4 o   51.396   10.632  1161.60  429.050  1212.21  768.416  1138.68  517.176   51.492   16.354   50.294   12.670 1.197575 20.68797 
1 1 1  -99    3    5 o  120.433   10.447  6228.40  1011.47  3961.01  1574.05  7823.17  1320.10   87.710   22.109  133.709   12.297 -45.99970 25.29866 
1 1 1  -99    3    6 o   79.848   10.553  2774.55  667.407  2333.75  1147.97  2999.61  820.282   68.034   19.669   81.879   12.754 -13.84453 23.44168 
1 1 1  -99    3    7 o  100.064   10.978  4384.36  877.263  3435.19  1450.42  4931.90  1101.60   80.189   21.733  104.507   13.282 -24.31816 25.47046 
1 1 1  -99    3    8 o   43.862   14.434  884.108  595.382 -497.4770  1134.58  1409.14  699.421   35.513   16.472   54.032   15.267 -18.51884 22.45931 
1 1 1  -99    3    9 o   40.384   15.259  682.428  684.513 -1774.0500  1231.92  1779.59  823.306   30.234   14.817   59.384   16.489 -29.15000 22.16770 
1 1 1  -99    3   10 o   29.136   13.187 -153.9363  669.617   62.133  1140.84 -267.4971  827.072   38.353   17.299   31.169   14.315 7.183985 22.45397 
1 1 1  -99    3   11 f   27.751   13.144 -576.7169  789.452 -1068.6500  1300.79 -289.8705  993.299   33.081   15.984   33.128   15.382 -0.4608917E-01 22.18313 
1 1 1  -99    5    1 o  112.201   42.827 10582.00  5426.93   0.0000   0.0000 10582.00  5426.93  ?   ?   112.201   42.827 0.000000 42.82724 
1 1 1  -99    5    2 o   42.915   21.322 -5067.6040  2874.09   0.0000   0.0000 -5067.6040  2874.09  ?   ?    42.915   21.322 0.000000 21.32204 
1 1 1  -99    5    3 o   24.787   9.6400  171.716  278.652   0.0000   0.0000  171.716  278.652  ?   ?    24.787   9.6400 0.000000 9.640033 
1 1 1  -99    5    4 o   60.332   9.2752  1566.33  439.822  1149.83  914.805  1691.55  501.599   50.831   17.874   62.375   10.261 -11.54313 20.60975 
1 1 1  -99    5    5 o   37.670   11.394  622.022  378.201  602.459  849.438  626.859  422.376   42.255   16.711   38.022   12.130 4.232777 20.64971 
1 1 1  -99    5    6 o   78.254   12.156  2729.64  747.316 -1170.1610  4549.95  2837.76  757.605   60.415   29.355   79.870   12.057 -19.45539 31.73512 
1 1 1  -99    5    7 o   34.158   12.748  436.305  474.709  444.342  1163.78  434.701  519.929   43.539   18.596   34.800   13.262 8.739780 22.84103 
1 1 1  -99    5    8 o   67.771   13.219  2132.41  701.283 -360.1225  1492.24  2838.95  794.483   40.983   18.968   78.667   12.884 -37.68379 22.92976 
1 1 1  -99    5    9 o   62.399   14.774  1900.81  736.951  1172.56  1502.24  2131.61  845.707   50.928   21.411   65.194   16.077 -14.26614 26.77498 
1 1 1  -99    5   10 o   29.573   13.171 -38.7257  638.730 -986.4539  1367.16  225.895  722.419   34.845   16.721   33.994   14.589 0.8515930 22.19040 
1 1 1  -99    5   11 o   44.789   17.080  1030.95  862.685  732.279  1442.86  1197.13  1076.24   44.373   19.776   47.182   18.763 -2.809956 27.26091 
1 1 1  -99    7    1 o  101.466   41.419  8953.70  5396.44   0.0000   0.0000  8953.70  5396.44  ?   ?   101.466   41.419 0.000000 41.41860 
1 1 1  -99    7    2 o  121.819   48.960 17318.30  7408.18   0.0000   0.0000 17318.30  7408.18  ?   ?   121.819   48.960 0.000000 48.95998 
1 1 1  -99    7    3 f   78.078   37.352  3176.16  6706.98   0.0000   0.0000  3176.16  6706.98  ?   ?    78.078   37.352 0.000000 37.35172 
1 1 1  -99    7    4 o   71.560   35.108  326.897  6978.65   0.0000   0.0000  326.897  6978.65  ?   ?    71.560   35.108 0.000000 35.10795 
1 1 1  -99    7    5 o  111.403   11.438  5426.28  1019.96   0.0000   0.0000  5426.28  1019.96  ?   ?   111.403   11.438 0.000000 11.43812 
1 1 1  -99    7    6 o  125.164   12.425  6969.64  1246.09   0.0000   0.0000  6969.64  1246.09  ?   ?   125.164   12.425 0.000000 12.42542 
1 1 1  -99    7    7 o   93.135   12.151  3895.99  896.977   0.0000   0.0000  3895.99  896.977  ?   ?    93.135   12.151 0.000000 12.15067 
1 1 1  -99    7    8 o   57.420   14.682  1597.68  687.162   0.0000   0.0000  1597.68  687.162  ?   ?    57.420   14.682 0.000000 14.68153 
1 1 1  -99    7    9 o   27.469   12.269 -88.2642  558.458   0.0000   0.0000 -88.2642  558.458  ?   ?    27.469   12.269 0.000000 12.26878 
1 1 1  -99    7   10 o   25.764   11.961 -330.0790  600.119   0.0000   0.0000 -330.0790  600.119  ?   ?    25.764   11.961 0.000000 11.96087 
1 1 1  -99    9    1 o   64.041   30.607 -568.2151  4480.67   0.0000   0.0000 -568.2151  4480.67  ?   ?    64.041   30.607 0.000000 30.60708 
1 1 1  -99    9    2 f   72.010   34.848  973.656  6245.19   0.0000   0.0000  973.656  6245.19  ?   ?    72.010   34.848 0.000000 34.84777 
1 1 1  -99    9    3 o   69.237   33.727  226.741  6110.71   0.0000   0.0000  226.741  6110.71  ?   ?    69.237   33.727 0.000000 33.72720 
1 1 1  -99    9    4 o   85.534   41.696 11268.69  9387.83   0.0000   0.0000 11268.69  9387.83  ?   ?    85.534   41.696 0.000000 41.69625 
1 1 1  -99    9    5 o   64.202   10.779  1822.15  542.010   0.0000   0.0000  1822.15  542.010  ?   ?    64.202   10.779 0.000000 10.77939 
1 1 1  -99    9    6 o   42.028   12.023  804.737  430.986   0.0000   0.0000  804.737  430.986  ?   ?    42.028   12.023 0.000000 12.02264 
1 1 1  -99    9    7 o   56.007   12.698  1460.07  564.140   0.0000   0.0000  1460.07  564.140  ?   ?    56.007   12.698 0.000000 12.69795 
1 1 1  -99    9    8 o   33.837   11.976  481.827  411.329   0.0000   0.0000  481.827  411.329  ?   ?    33.837   11.976 0.000000 11.97613 
1 1 1  -99    9    9 o   19.850   9.5782 -619.2219  463.367   0.0000   0.0000 -619.2219  463.367  ?   ?    19.850   9.5782 0.000000 9.578222 
1 1 1  -99   11    1 o   68.669   32.998  958.297  5366.27   0.0000   0.0000  958.297  5366.27  ?   ?    68.669   32.998 0.000000 32.99771 
1 1 1  -99   11    2 o   70.379   34.695  720.450  7086.97   0.0000   0.0000  720.450  7086.97  ?   ?    70.379   34.695 0.000000 34.69493 
1 1 1  -99   11    3 o   69.822   34.424  1229.79  6983.44   0.0000   0.0000  1229.79  6983.44  ?   ?    69.822   34.424 0.000000 34.42432 
1 1 1  -99   11    4 o   79.075   39.003  9362.55  8997.32   0.0000   0.0000  9362.55  8997.32  ?   ?    79.075   39.003 0.000000 39.00296 
1 1 1  -99   11    5 o   56.366   28.943 -15005.6299  9008.09   0.0000   0.0000 -15005.6299  9008.09  ?   ?    56.366   28.943 0.000000 28.94306 
1 1 1  -99   11    6 o   56.418   11.689  1454.81  517.860   0.0000   0.0000  1454.81  517.860  ?   ?    56.418   11.689 0.000000 11.68892 
1 1 1  -99   11    7 o   99.047   11.235  4407.04  887.597   0.0000   0.0000  4407.04  887.597  ?   ?    99.047   11.235 0.000000 11.23539 
1 1 1  -99   11    8 o   27.865   10.785  261.743  347.466   0.0000   0.0000  261.743  347.466  ?   ?    27.865   10.785 0.000000 10.78489 
1 1 1  -99   13    2 o   65.404   32.881 -1557.7729  7805.15   0.0000   0.0000 -1557.7729  7805.15  ?   ?    65.404   32.881 0.000000 32.88081 
1 1 1  -99   13    3 o   90.370   44.305 24820.84 11052.52   0.0000   0.0000 24820.84 11052.52  ?   ?    90.370   44.305 0.000000 44.30533 
1 1 1  -99   13    4 o   68.175   34.386  3465.25  8924.96   0.0000   0.0000  3465.25  8924.96  ?   ?    68.175   34.386 0.000000 34.38638 
1 1 1  -99   13    5 o   70.068   35.744 10867.89 11693.28   0.0000   0.0000 10867.89 11693.28  ?   ?    70.068   35.744 0.000000 35.74396 
1 1 1  -98    0    1 o   44.474   12.638  996.441  395.377   0.0000   0.0000  996.441  395.377   44.474   12.638   44.474   12.638 -0.000000 0.000000 
1 1 1  -98    0    2 o   38.784   14.447  844.906  423.373  844.906  423.373   0.0000   0.0000   38.784   14.447   38.784   14.447 0.000000 0.000000 
1 1 1  -98    0    3 o  151.221   14.000  9902.64  1685.11   0.0000   0.0000  9902.64  1685.11  151.221   14.000  151.221   14.000 -0.000000 0.000000 
1 1 1  -98    0    4 o   17.245   11.494 -118.3632  436.647   0.0000   0.0000 -118.3632  436.647   17.245   11.494   17.245   11.494 -0.000000 0.000000 
1 1 1  -98    0    5 o   43.916   18.814  1178.64  685.806  1178.64  685.806   0.0000   0.0000   43.916   18.814   43.916   18.814 0.000000 0.000000 
1 1 1  -98    0    6 o   27.098   16.182  365.717  630.128   0.0000   0.0000  365.717  630.128   27.098   16.182   27.098   16.182 -0.000000 0.000000 
1 1 1  -98    0    7 o   23.581   15.179   65.164  668.390   65.164  668.390   0.0000   0.0000   23.581   15.179   23.581   15.179 0.000000 0.000000 
1 1 1  -98    0    8 o   24.803   16.192   0.8481  798.423   0.0000   0.0000   0.8481  798.423   24.803   16.192   24.803   16.192 -0.000000 0.000000 
1 1 1  -98    0    9 o   34.423   20.385  689.132  984.932   0.0000   0.0000  689.132  984.932   34.423   20.385   34.423   20.385 -0.000000 0.000000 
1 1 1  -98    0   10 o   24.978   16.831 -270.8645  983.426 -270.8645  983.426   0.0000   0.0000   24.978   16.831   24.978   16.831 0.000000 0.000000 
1 1 1  -98    0   11 o   28.311   18.213  188.585  960.660   0.0000   0.0000  188.585  960.660   28.311   18.213   28.311   18.213 -0.000000 0.000000 
1 1 1  -98    0   12 o   24.104   16.454 -398.6770  1003.31 -398.6770  1003.31   0.0000   0.0000   24.104   16.454   24.104   16.454 0.000000 0.000000 
1 1 1  -98    2    1 o   68.993   27.083  2129.25  2215.58  2129.25  2215.58   0.0000   0.0000   68.993   27.083  ?   ?  0.000000 27.08350 
1 1 1  -98    2    2 o  138.929   11.152  8225.29  1247.37  9272.81  4000.62  8112.49  1312.81  119.854   37.210  137.540   11.872 -17.68527 39.05800 
1 1 1  -98    2    3 o  114.467   8.6350  5494.76  796.662  4754.25  1212.47  6057.34  1056.81  103.260   14.892  119.035   11.061 -15.77549 18.54974 
1 1 1  -98    2    4 o   58.328   10.300  1476.10  469.959  1034.17  790.965  1717.25  584.273   48.753   16.646   62.400   11.967 -13.64727 20.50098 
1 1 1  -98    2    5 o   74.587   10.121  2393.65  597.139  2533.72  959.302  2305.04  762.979   73.691   16.449   71.623   13.617 2.067337 21.35442 
1 1 1  -98    2    6 o   64.294   11.158  1817.40  561.395  1903.89  918.947  1765.90  709.102   63.026   17.390   61.958   14.373 1.067841 22.56122 
1 1 1  -98    2    7 o   42.981   13.998  821.219  560.515  425.124  886.502  1085.04  723.487   40.374   16.668   48.605   15.907 -8.230736 23.04086 
1 1 1  -98    2    8 o   34.826   13.659  395.282  563.094  1159.36  884.723 -124.9938  730.053   49.868   17.573   31.444   14.037 18.42479 22.49124 
1 1 1  -98    2    9 o   38.611   14.821  572.922  652.256  1963.69  1033.28 -348.3781  840.992   61.382   18.887   31.407   14.429 29.97495 23.76738 
1 1 1  -98    2   10 o   80.240   14.656  3098.48  919.702  3315.10  1458.38  2955.45  1185.06   74.921   22.310   73.759   19.493 1.162766 29.62634 
1 1 1  -98    2   11 f   63.326   17.115  2135.31  900.950  1213.88  1459.61  2702.47  1145.14   49.506   20.974   68.832   19.565 -19.32596 28.68302 
1 1 1  -98    2   12 o   36.996   15.817  428.500  843.352  689.759  1391.09  276.675  1060.46   43.453   19.389   37.809   16.895 5.644554 25.71716 
1 1 1  -98    4    1 o   58.680   12.985  1532.11  602.292  1638.75  610.813 -2210.4390  3618.51   60.799   12.779   57.416   27.458 3.383492 30.28636 
1 1 1  -98    4    2 o   35.875   13.414  449.649  526.091  393.072  530.938  3506.07  3902.38   34.934   13.381   81.037   34.312 -46.10283 36.82886 
1 1 1  -98    4    3 o   68.103   8.5040  1962.28  460.000  1498.97  868.480  2142.95  542.318   56.942   17.276   70.809   9.6866 -13.86720 19.80609 
1 1 1  -98    4    4 o   45.309   10.981  907.125  399.743  520.504  777.283  1046.15  466.107   40.649   16.015   48.463   11.926 -7.813690 19.96746 
1 1 1  -98    4    5 o  170.992   15.427 13183.80  2118.86  1204.57  6009.34 14884.54  2264.29   73.584   35.242  181.658   15.499 -108.0743 38.49986 
1 1 1  -98    4    6 f  111.866   10.128  5367.98  910.012  4147.87  1540.68  6021.71  1127.75   90.287   21.351  117.297   12.010 -27.00900 24.49751 
1 1 1  -98    4    7 o   70.794   11.746  2229.14  651.540  1117.16  1209.67  2683.56  773.291   51.393   20.058   77.236   12.777 -25.84340 23.78209 
1 1 1  -98    4    8 o   23.884   10.915 -244.4076  472.656 -24.1611  1035.85 -302.3229  531.177   37.674   16.776   24.924   11.457 12.74925 20.31487 
1 1 1  -98    4    9 o   68.848   14.028  2238.21  757.570  1960.03  1392.31  2355.20  902.928   59.655   21.912   68.973   16.368 -9.318127 27.35032 
1 1 1  -98    4   10 o  228.447   23.562 30524.83  4307.85 -327.0158  6326.15 57200.88  5882.46   58.188   29.298  313.854   23.248 -255.6659 37.40158 
1 1 1  -98    4   11 o   42.267   16.449  817.852  811.745  449.012  1484.60  975.150  969.506   43.645   19.706   45.069   17.844 -1.424408 26.58442 
1 1 1  -98    4   12 o   27.054   12.919 -655.3057  795.043 -1334.7410  1464.47 -371.3740  946.700   33.397   16.321   31.441   14.735 1.956671 21.98913 
1 1 1  -98    6    1 o   74.183   32.854  2131.56  3919.87   0.0000   0.0000  2131.56  3919.87  ?   ?    74.183   32.854 0.000000 32.85435 
1 1 1  -98    6    2 o   85.585   37.744  4609.12  5120.12   0.0000   0.0000  4609.12  5120.12  ?   ?    85.585   37.744 0.000000 37.74397 
1 1 1  -98    6    3 o   54.380   27.067 -6535.4731  4717.80   0.0000   0.0000 -6535.4731  4717.80  ?   ?    54.380   27.067 0.000000 27.06745 
1 1 1  -98    6    4 o   40.101   10.828  709.101  360.844  1201.22  2107.39  694.237  366.253   59.410   25.188   39.696   10.989 19.71398 27.48088 
1 1 1  -98    6    5 o   33.133   10.915  457.205  340.398 -737.7134  768.836  748.546  379.635   27.577   13.034   41.068   11.114 -13.49124 17.12920 
1 1 1  -98    6    6 o   35.158   11.805  517.779  397.742 -939.2535  870.828  901.856  447.102   28.410   13.554   44.721   12.044 -16.31059 18.13227 
1 1 1  -98    6    7 o   45.479   12.785  946.219  491.792 -640.4407  1098.70  1343.77  549.962   34.398   16.040   54.149   12.724 -19.75159 20.47417 
1 1 1  -98    6    8 o   24.531   10.987 -131.2437  451.259 -1574.2440  1110.06  154.432  493.911   29.380   14.326   29.550   12.340 -0.1697292 18.90768 
1 1 1  -98    6    9 f   23.574   10.934 -331.3334  499.751  1344.24  1134.34 -734.8897  556.689   51.849   19.630   21.838   10.527 30.01114 22.27492 
1 1 1  -98    6   10 o   28.594   12.628 -17.5295  575.080  1737.41  1173.66 -571.9870  659.700   55.599   20.164   25.401   12.026 30.19788 23.47751 
1 1 1  -98    6   11 o   28.411   12.996 -199.0052  672.302  956.367  1280.07 -639.1017  790.037   45.821   19.535   27.375   13.019 18.44547 23.47564 
1 1 1  -98    8    1 o  107.873   43.099 10310.11  5703.62   0.0000   0.0000 10310.11  5703.62  ?   ?   107.873   43.099 0.000000 43.09897 
1 1 1  -98    8    2 o  121.133   49.956 17795.32  7951.12   0.0000   0.0000 17795.32  7951.12  ?   ?   121.133   49.956 0.000000 49.95563 
1 1 1  -98    8    3 o   78.946   37.641  3065.34  6693.18   0.0000   0.0000  3065.34  6693.18  ?   ?    78.946   37.641 0.000000 37.64087 
1 1 1  -98    8    4 o   67.547   32.987 -1163.2200  5951.29   0.0000   0.0000 -1163.2200  5951.29  ?   ?    67.547   32.987 0.000000 32.98717 
1 1 1  -98    8    5 o   64.898   10.649  1845.36  541.695   0.0000   0.0000  1845.36  541.695  ?   ?    64.898   10.649 0.000000 10.64938 
1 1 1  -98    8    6 o   46.350   11.725  971.974  441.607   0.0000   0.0000  971.974  441.607  ?   ?    46.350   11.725 0.000000 11.72533 
1 1 1  -98    8    7 o   35.514   11.883  540.565  403.040   0.0000   0.0000  540.565  403.040  ?   ?    35.514   11.883 0.000000 11.88337 
1 1 1  -98    8    8 o   16.210   7.9899 -759.8747  375.328   0.0000   0.0000 -759.8747  375.328  ?   ?    16.210   7.9899 0.000000 7.989908 
1 1 1  -98    8    9 o   21.932   10.103 -247.0420  416.204   0.0000   0.0000 -247.0420  416.204  ?   ?    21.932   10.103 0.000000 10.10314 
1 1 1  -98    8   10 f   67.570   14.954  2282.73  798.743   0.0000   0.0000  2282.73  798.743  ?   ?    67.570   14.954 0.000000 14.95402 
1 1 1  -98   10    1 o   79.061   36.279  3693.06  5295.82   0.0000   0.0000  3693.06  5295.82  ?   ?    79.061   36.279 0.000000 36.27899 
1 1 1  -98   10    2 o   79.363   37.903  3817.41  6845.91   0.0000   0.0000  3817.41  6845.91  ?   ?    79.363   37.903 0.000000 37.90281 
1 1 1  -98   10    3 o   69.443   34.256 -1090.4950  6946.13   0.0000   0.0000 -1090.4950  6946.13  ?   ?    69.443   34.256 0.000000 34.25566 
1 1 1  -98   10    4 o   85.133   41.521 10080.85  9341.46   0.0000   0.0000 10080.85  9341.46  ?   ?    85.133   41.521 0.000000 41.52103 
1 1 1  -98   10    5 o   74.410   37.441  3691.24 10234.40   0.0000   0.0000  3691.24 10234.40  ?   ?    74.410   37.441 0.000000 37.44089 
1 1 1  -98   10    6 o   34.346   11.571  499.387  382.158   0.0000   0.0000  499.387  382.158  ?   ?    34.346   11.571 0.000000 11.57105 
1 1 1  -98   10    7 o   39.431   12.260  703.792  434.112   0.0000   0.0000  703.792  434.112  ?   ?    39.431   12.260 0.000000 12.25998 
1 1 1  -98   10    8 o   62.043   12.960  1807.05  631.822   0.0000   0.0000  1807.05  631.822  ?   ?    62.043   12.960 0.000000 12.95980 
1 1 1  -98   10    9 o   55.671   14.314  1530.42  650.622   0.0000   0.0000  1530.42  650.622  ?   ?    55.671   14.314 0.000000 14.31364 
1 1 1  -98   12    1 o   69.227   32.781  1423.60  4905.36   0.0000   0.0000  1423.60  4905.36  ?   ?    69.227   32.781 0.000000 32.78074 
1 1 1  -98   12    2 o   62.957   31.154 -2673.2610  5905.71   0.0000   0.0000 -2673.2610  5905.71  ?   ?    62.957   31.154 0.000000 31.15355 
1 1 1  -98   12    3 o   82.481   40.402  9594.09  9129.58   0.0000   0.0000  9594.09  9129.58  ?   ?    82.481   40.402 0.000000 40.40190 
1 1 1  -98   12    4 o   69.983   34.882  1512.77  7950.20   0.0000   0.0000  1512.77  7950.20  ?   ?    69.983   34.882 0.000000 34.88235 
1 1 1  -98   12    5 o   76.423   38.485 11026.52 10936.14   0.0000   0.0000 11026.52 10936.14  ?   ?    76.423   38.485 0.000000 38.48526 
1 1 1  -98   12    6 o   62.603   32.039 -4313.4580 10102.06   0.0000   0.0000 -4313.4580 10102.06  ?   ?    62.603   32.039 0.000000 32.03930 
1 1 1  -98   12    7 o   26.654   10.107  243.678  301.020   0.0000   0.0000  243.678  301.020  ?   ?    26.654   10.107 0.000000 10.10725 
1 1 1  -98   12    8 o   35.285   11.574  559.354  382.906   0.0000   0.0000  559.354  382.906  ?   ?    35.285   11.574 0.000000 11.57373 
1 1 1  -98   14    1 o   70.554   34.138  2682.97  5987.91   0.0000   0.0000  2682.97  5987.91  ?   ?    70.554   34.138 0.000000 34.13807 
1 1 1  -98   14    2 o   55.169   28.083 -10371.6904  6914.97   0.0000   0.0000 -10371.6904  6914.97  ?   ?    55.169   28.083 0.000000 28.08262 
1 1 1  -98   14    3 o   61.773   31.085 -3006.4851  7062.97   0.0000   0.0000 -3006.4851  7062.97  ?   ?    61.773   31.085 0.000000 31.08502 
1 1 1  -98   14    4 o   53.768   27.443 -10242.2002  6962.67   0.0000   0.0000 -10242.2002  6962.67  ?   ?    53.768   27.443 0.000000 27.44259 
1 1 1  -98   14    5 o   69.944   35.693 10127.89 11737.08   0.0000   0.0000 10127.89 11737.08  ?   ?    69.944   35.693 0.000000 35.69264 
1 1 1  -97    1    1 o   53.033   7.1007  1179.35  298.085  1128.03  440.745  1222.62  404.673   50.850   10.995   53.336   9.7017 -2.485916 14.66327 
1 1 1  -97    1    2 o   68.408   7.4052  1954.85  404.759  2134.80  618.130  1819.77  535.543   70.338   11.199   65.067   10.494 5.271378 15.34685 
1 1 1  -97    1    3 o   92.574   8.3689  3588.78  622.265  3024.30  918.359  4067.94  846.107   82.584   14.208   97.637   10.857 -15.05216 17.88089 
1 1 1  -97    1    4 o  118.582   9.1798  5914.33  876.984  5257.87  1271.68  6509.67  1211.03  108.840   14.771  122.795   12.312 -13.95446 19.22948 
1 1 1  -97    1    5 o   50.400   11.388  1122.32  455.046  1088.81  738.652  1142.81  577.683   49.477   16.067   50.366   13.743 -0.8891220 21.14323 
1 1 1  -97    1    6 o   24.090   10.729 -126.1142  423.755 -759.2160  668.962  298.174  547.640   25.088   11.945   33.458   13.359 -8.369230 17.92062 
1 1 1  -97    1    7 o   26.028   11.469 -79.7175  471.736  169.905  726.753 -261.4696  620.133   34.979   14.809   27.900   12.653 7.079138 19.47833 
1 1 1  -97    1    8 o   36.884   14.395  454.529  623.022  207.629  898.666  683.011  864.499   38.080   16.305   43.228   16.933 -5.148163 23.50690 
1 1 1  -97    1    9 o   76.908   13.545  2721.83  814.925  2439.99  1231.74  2941.24  1086.78   67.771   20.577   76.906   17.762 -9.135704 27.18259 
1 1 1  -97    1   10 o   24.793   11.659 -500.4973  601.097 -871.3848  942.308 -246.0321  780.524   29.646   14.132   30.949   14.098 -1.302944 19.96118 
1 1 1  -97    1   11 o   38.714   15.309  582.820  712.800  1492.46  1024.83 -269.5844  992.068   52.815   18.881   33.976   15.632 18.83965 24.51217 
1 1 1  -97    1   12 o   34.839   14.958  286.408  760.138  1810.72  1146.04 -910.9516  1015.72   55.099   19.934   29.784   14.323 25.31513 24.54609 
1 1 1  -97    1   13 o   48.099   17.830  1346.79  925.590  2034.66  1380.31  784.769  1247.68   53.986   21.318   42.534   18.700 11.45229 28.35737 
1 1 1  -97    3    1 o   52.080   12.945  1203.24  545.023  1203.34  554.770  1200.38  2920.47   52.049   13.129   67.006   29.046 -14.95703 31.87501 
1 1 1  -97    3    2 o  142.593   13.112  8783.48  1501.15  9058.23  1577.34  6143.79  4889.13  144.495   13.604   96.412   39.397 48.08294 41.68008 
1 1 1  -97    3    3 o  182.606   14.012 14525.37  2061.66  7488.59  4927.87 16018.34  2269.85  102.144   40.297  191.119   14.741 -88.97479 42.90893 
1 1 1  -97    3    4 o  100.389   8.6432  4232.46  697.658  4323.61  1129.82  4176.29  886.955   98.615   14.547   98.585   11.284 0.2964783E-01 18.41014 
1 1 1  -97    3    5 o   93.040   9.1649  3663.03  683.377  3064.09  1135.14  4003.50  855.846   80.696   17.802   96.408   11.138 -15.71223 20.99944 
1 1 1  -97    3    6 o  105.528   9.9469  4751.66  842.247  3185.03  1346.31  5759.06  1079.60   80.028   20.598  115.230   11.701 -35.20174 23.68924 
1 1 1  -97    3    7 o   35.134   12.739  474.525  468.458  762.788  829.729  339.641  567.573   44.278   16.783   34.323   13.633 9.954422 21.62234 
1 1 1  -97    3    8 o   60.707   13.525  1697.18  649.577  1384.54  1114.64  1857.96  799.343   54.117   19.646   62.421   15.767 -8.304447 25.19057 
1 1 1  -97    3    9 o   36.653   14.481  447.957  637.247 -1191.6021  1069.62  1350.11  793.428   30.512   14.680   52.678   16.606 -22.16573 22.16426 
1 1 1  -97    3   10 o   43.059   15.809  826.945  724.644  545.625  1212.49  983.262  903.819   43.966   18.885   46.390   17.532 -2.424072 25.76866 
1 1 1  -97    3   11 o   51.703   17.041  1391.18  829.699  3511.60  1421.44  295.378  1021.84   76.854   21.782   38.881   17.012 37.97268 27.63805 
1 1 1  -97    3   12 o   41.623   16.827  769.604  880.588  1235.60  1583.88  561.126  1059.41   48.872   21.287   40.704   17.569 8.168007 27.60111 
1 1 1  -97    5    1 o   99.033   37.981  6394.95  4280.84   0.0000   0.0000  6394.95  4280.84  ?   ?    99.033   37.981 0.000000 37.98092 
1 1 1  -97    5    2 o   46.096   15.545  901.812  689.714  948.450  698.106 -1002.9720  4461.40   46.996   15.638   66.522   31.428 -19.52629 35.10357 
1 1 1  -97    5    3 o   66.288   15.641  2009.01  828.265  2224.35  838.211 -6904.3560  5392.70   70.015   15.182   58.785   29.207 11.22963 32.91698 
1 1 1  -97    5    4 o   38.907   10.306  662.320  330.743 -351.6947  748.282  908.524  368.716   30.350   13.816   45.559   10.219 -15.20904 17.18489 
1 1 1  -97    5    5 o  133.650   11.006  7659.58  1183.71  3964.85  1896.12 10019.09  1515.26   86.011   25.397  151.914   12.392 -65.90295 28.25937 
1 1 1  -97    5    6 f  125.415   12.166  6864.92  1223.27  9174.89  5534.64  6746.29  1254.29   98.625   41.258  123.983   12.636 -25.35880 43.14962 
1 1 1  -97    5    7 o   59.590   12.353  1599.42  578.084 -999.2159  1193.41  2396.09  660.782   34.165   16.175   73.750   11.402 -39.58526 19.79038 
1 1 1  -97    5    8 o  105.179   11.572  4876.67  971.932  1846.80  1739.33  6252.31  1171.98   60.454   23.912  118.584   12.353 -58.13014 26.91436 
1 1 1  -97    5    9 o   76.567   13.198  2698.47  790.860  2475.45  1560.73  2775.52  917.355   65.684   23.320   76.137   15.369 -10.45318 27.92861 
1 1 1  -97    5   10 o   67.428   15.228  2226.88  814.009  3026.29  1597.87  1946.71  945.961   70.015   23.660   60.965   17.921 9.050415 29.68090 
1 1 1  -97    5   11 o  105.920   14.396  5430.43  1206.03  4661.87  1958.02  5900.26  1530.91   80.959   26.147  105.169   18.609 -24.20914 32.09309 
1 1 1  -97    5   12 o   46.406   17.553  1150.75  906.477  2215.91  1517.21  559.467  1130.42   56.840   22.380   40.959   17.908 15.88155 28.66318 
1 1 1  -97    7    1 o   84.882   36.130  4095.33  4365.95   0.0000   0.0000  4095.33  4365.95  ?   ?    84.882   36.130 0.000000 36.13049 
1 1 1  -97    7    2 o   72.696   34.080  519.946  5069.44   0.0000   0.0000  519.946  5069.44  ?   ?    72.696   34.080 0.000000 34.07976 
1 1 1  -97    7    3 o  100.923   44.600  9863.04  7185.53   0.0000   0.0000  9863.04  7185.53  ?   ?   100.923   44.600 0.000000 44.60018 
1 1 1  -97    7    4 o   56.303   28.140 -7471.3540  5328.62   0.0000   0.0000 -7471.3540  5328.62  ?   ?    56.303   28.140 0.000000 28.14022 
1 1 1  -97    7    5 o   60.156   10.714  1582.91  504.153   0.0000   0.0000  1582.91  504.153  ?   ?    60.156   10.714 0.000000 10.71430 
1 1 1  -97    7    6 o   64.937   9.9237  1828.19  506.632  2064.74  1008.59  1748.36  585.915   65.012   18.321   62.625   11.959 2.386681 21.87841 
1 1 1  -97    7    7 o   30.293   11.560  304.496  395.351  1030.53  901.473  131.600  439.913   48.351   17.651   28.130   11.688 20.22115 21.16962 
1 1 1  -97    7    8 o   44.828   13.272  926.401  517.212  1259.41  1069.08  824.642  590.977   51.726   19.165   42.825   14.389 8.900631 23.96525 
1 1 1  -97    7    9 o   78.463   12.347  2807.28  760.625  1789.73  1423.08  3214.23  899.963   57.649   21.949   82.941   13.852 -25.29211 25.95404 
1 1 1  -97    7   10 o   45.650   14.903  1010.96  635.156 -854.5469  1176.94  1777.53  754.452   33.296   15.850   59.605   15.458 -26.30938 22.14003 
1 1 1  -97    7   11 o   53.309   14.900  1446.18  669.993  774.054  1419.79  1638.72  759.927   45.458   19.967   56.003   15.945 -10.54501 25.55268 
1 1 1  -97    7   12 o   53.188   17.820  1641.14  906.289  294.710  1590.71  2288.25  1102.78   41.833   19.438   60.737   19.624 -18.90386 27.62120 
1 1 1  -97    9    1 o  142.333   50.039 19456.98  7169.67   0.0000   0.0000 19456.98  7169.67  ?   ?   142.333   50.039 0.000000 50.03905 
1 1 1  -97    9    2 o   74.496   35.460  870.249  5888.81   0.0000   0.0000  870.249  5888.81  ?   ?    74.496   35.460 0.000000 35.46034 
1 1 1  -97    9    3 o   76.535   36.075  2171.58  5816.88   0.0000   0.0000  2171.58  5816.88  ?   ?    76.535   36.075 0.000000 36.07498 
1 1 1  -97    9    4 o   96.944   45.616 13281.39  9227.56   0.0000   0.0000 13281.39  9227.56  ?   ?    96.944   45.616 0.000000 45.61615 
1 1 1  -97    9    5 o   90.300   44.086 13451.52 10608.10   0.0000   0.0000 13451.52 10608.10  ?   ?    90.300   44.086 0.000000 44.08625 
1 1 1  -97    9    6 o  127.742   12.438  7216.11  1273.72   0.0000   0.0000  7216.11  1273.72  ?   ?   127.742   12.438 0.000000 12.43791 
1 1 1  -97    9    7 o   54.490   12.361  1357.01  534.348   0.0000   0.0000  1357.01  534.348  ?   ?    54.490   12.361 0.000000 12.36127 
1 1 1  -97    9    8 o   73.281   11.731  2420.19  674.489   0.0000   0.0000  2420.19  674.489  ?   ?    73.281   11.731 0.000000 11.73132 
1 1 1  -97    9    9 o   67.610   14.086  2185.64  748.163   0.0000   0.0000  2185.64  748.163  ?   ?    67.610   14.086 0.000000 14.08560 
1 1 1  -97    9   10 o   35.456   14.245  439.486  626.826   0.0000   0.0000  439.486  626.826  ?   ?    35.456   14.245 0.000000 14.24459 
1 1 1  -97    9   11 o   99.751   15.927  5121.67  1246.58   0.0000   0.0000  5121.67  1246.58  ?   ?    99.751   15.927 0.000000 15.92653 
1 1 1  -97   11    1 o   79.964   36.982  3710.23  5657.76   0.0000   0.0000  3710.23  5657.76  ?   ?    79.964   36.982 0.000000 36.98197 
1 1 1  -97   11    2 o   69.684   33.627 -117.9575  5713.18   0.0000   0.0000 -117.9575  5713.18  ?   ?    69.684   33.627 0.000000 33.62680 
1 1 1  -97   11    3 o   48.080   24.312 -9765.5947  4628.69   0.0000   0.0000 -9765.5947  4628.69  ?   ?    48.080   24.312 0.000000 24.31203 
1 1 1  -97   11    4 o   86.073   42.031 10329.29  9656.81   0.0000   0.0000 10329.29  9656.81  ?   ?    86.073   42.031 0.000000 42.03127 
1 1 1  -97   11    5 o   74.938   37.345  3622.15  9094.71   0.0000   0.0000  3622.15  9094.71  ?   ?    74.938   37.345 0.000000 37.34538 
1 1 1  -97   11    6 o   69.136   34.903  424.837  9315.58   0.0000   0.0000  424.837  9315.58  ?   ?    69.136   34.903 0.000000 34.90294 
1 1 1  -97   11    7 o   68.063   11.367  2079.52  606.054   0.0000   0.0000  2079.52  606.054  ?   ?    68.063   11.367 0.000000 11.36725 
1 1 1  -97   11    8 o  112.542   12.140  5741.77  1091.78   0.0000   0.0000  5741.77  1091.78  ?   ?   112.542   12.140 0.000000 12.13984 
1 1 1  -97   11    9 o   46.271   13.981  1041.49  569.673   0.0000   0.0000  1041.49  569.673  ?   ?    46.271   13.981 0.000000 13.98125 
1 1 1  -97   11   10 o   66.049   14.716  2195.09  769.037   0.0000   0.0000  2195.09  769.037  ?   ?    66.049   14.716 0.000000 14.71634 
1 1 1  -97   13    1 o   85.584   40.193  7614.70  7104.52   0.0000   0.0000  7614.70  7104.52  ?   ?    85.584   40.193 0.000000 40.19277 
1 1 1  -97   13    2 o   63.808   31.603 -2717.4480  6128.69   0.0000   0.0000 -2717.4480  6128.69  ?   ?    63.808   31.603 0.000000 31.60336 
1 1 1  -97   13    3 o   73.536   36.514  2420.39  8380.15   0.0000   0.0000  2420.39  8380.15  ?   ?    73.536   36.514 0.000000 36.51405 
1 1 1  -97   13    4 o   63.822   32.129 -3786.6560  7586.24   0.0000   0.0000 -3786.6560  7586.24  ?   ?    63.822   32.129 0.000000 32.12861 
1 1 1  -97   13    5 o   79.636   40.019 14825.67 11499.23   0.0000   0.0000 14825.67 11499.23  ?   ?    79.636   40.019 0.000000 40.01871 
1 1 1  -97   13    6 o   57.329   29.192 -7145.8379  7520.25   0.0000   0.0000 -7145.8379  7520.25  ?   ?    57.329   29.192 0.000000 29.19239 
1 1 1  -97   13    7 o   60.537   11.582  1675.52  548.554   0.0000   0.0000  1675.52  548.554  ?   ?    60.537   11.582 0.000000 11.58181 
1 1 1  -97   13    8 o   27.153   11.092  179.205  387.363   0.0000   0.0000  179.205  387.363  ?   ?    27.153   11.092 0.000000 11.09191 
1 1 1  -97   15    1 o   63.871   31.910 -2325.4441  6820.13   0.0000   0.0000 -2325.4441  6820.13  ?   ?    63.871   31.910 0.000000 31.90969 
1 1 1  -97   15    2 o   68.837   34.556  740.641  8461.98   0.0000   0.0000  740.641  8461.98  ?   ?    68.837   34.556 0.000000 34.55578 
1 1 1  -97   15    3 o   84.614   42.179 20914.04 11634.63   0.0000   0.0000 20914.04 11634.63  ?   ?    84.614   42.179 0.000000 42.17872 
1 1 1  -97   15    4 o   76.618   38.843 16423.19 12310.05   0.0000   0.0000 16423.19 12310.05  ?   ?    76.618   38.843 0.000000 38.84303 
1 1 1  -97   15    5 o   57.851   29.586 -7236.9131  8471.20   0.0000   0.0000 -7236.9131  8471.20  ?   ?    57.851   29.586 0.000000 29.58624 
1 1 1  -97   15    6 o   65.098   33.445  6905.49 12309.56   0.0000   0.0000  6905.49 12309.56  ?   ?    65.098   33.445 0.000000 33.44479 
1 1 1  -96    0    1 f   81.189   10.290  2851.95  648.653   0.0000   0.0000  2851.95  648.653   81.189   10.290   81.189   10.290 -0.000000 0.000000 
1 1 1  -96    0    2 o   15.097   9.7667  -3.3830  281.491  -3.3830  281.491   0.0000   0.0000   15.097   9.7667   15.097   9.7667 0.000000 0.000000 
1 1 1  -96    0    3 o  113.490   11.973  5533.34  1075.24  5533.34  1075.24   0.0000   0.0000  113.490   11.973  113.490   11.973 0.000000 0.000000 
1 1 1  -96    0    4 o  235.729   18.584 24382.66  3506.24 24382.66  3506.24   0.0000   0.0000  235.729   18.584  235.729   18.584 0.000000 0.000000 
1 1 1  -96    0    5 o   23.898   14.592  228.906  536.599   0.0000   0.0000  228.906  536.599   23.898   14.592   23.898   14.592 -0.000000 0.000000 
1 1 1  -96    0    6 o   33.565   18.356  698.312  714.296   0.0000   0.0000  698.312  714.296   33.565   18.356   33.565   18.356 -0.000000 0.000000 
1 1 1  -96    0    7 o   86.353   18.648  3582.12  1146.93   0.0000   0.0000  3582.12  1146.93   86.353   18.648   86.353   18.648 -0.000000 0.000000 
1 1 1  -96    0    8 o   25.620   16.548   60.508  803.727   0.0000   0.0000   60.508  803.727   25.620   16.548   25.620   16.548 -0.000000 0.000000 
1 1 1  -96    0    9 o   53.560   23.686  1842.97  1084.34   0.0000   0.0000  1842.97  1084.34   53.560   23.686   53.560   23.686 -0.000000 0.000000 
1 1 1  -96    0   10 o   22.059   15.232 -599.2317  918.430   0.0000   0.0000 -599.2317  918.430   22.059   15.232   22.059   15.232 -0.000000 0.000000 
1 1 1  -96    0   11 o   26.591   17.702 -145.0829  1030.21 -145.0829  1030.21   0.0000   0.0000   26.591   17.702   26.591   17.702 0.000000 0.000000 
1 1 1  -96    0   12 o   47.398   24.410  1606.77  1201.18   0.0000   0.0000  1606.77  1201.18   47.398   24.410   47.398   24.410 -0.000000 0.000000 
1 1 1  -96    0   13 o   40.787   23.570  1173.82  1264.23   0.0000   0.0000  1173.82  1264.23   40.787   23.570   40.787   23.570 -0.000000 0.000000 
1 1 1  -96    2    1 f  156.033   32.269 13060.95  3953.36 13060.95  3953.36   0.0000   0.0000  156.033   32.269  ?   ?  0.000000 32.26943 
1 1 1  -96    2    2 o  155.760   12.370 10359.81  1551.57 10026.80  4113.50 10415.05  1675.32  128.859   37.226  155.524   13.397 -26.66512 39.56337 
1 1 1  -96    2    3 o  117.642   8.7195  5783.16  826.968  4593.04  1242.33  6730.09  1108.16  101.645   15.547  125.962   10.944 -24.31654 19.01222 
1 1 1  -96    2    4 o   66.316   9.1467  1867.01  479.409  1316.00  818.802  2154.43  591.373   54.081   16.841   70.825   10.610 -16.74371 19.90471 
1 1 1  -96    2    5 o   61.088   10.273  1610.76  491.476  1818.53  848.065  1505.69  603.073   62.759   16.444   58.078   13.100 4.680286 21.02473 
1 1 1  -96    2    6 o   71.919   10.600  2233.45  600.443  2140.50  1002.69  2285.41  749.735   67.172   18.014   71.574   13.393 -4.402756 22.44686 
1 1 1  -96    2    7 o   51.827   13.034  1214.70  547.956  1088.21  907.144  1287.37  687.566   49.967   17.775   52.867   15.204 -2.899990 23.39004 
1 1 1  -96    2    8 o  150.652   11.543  9867.71  1401.23  8053.90  2078.79 11378.08  1896.96  127.136   20.861  158.422   14.923 -31.28522 25.64916 
1 1 1  -96    2    9 o   65.220   14.038  1975.20  721.363  1843.01  1071.25  2084.87  975.750   60.394   19.323   64.762   17.939 -4.367313 26.36666 
1 1 1  -96    2   10 o   74.830   14.733  2654.25  863.313  1810.21  1358.16  3226.51  1118.32   58.389   21.607   80.305   17.634 -21.91678 27.88929 
1 1 1  -96    2   11 o   39.495   15.658  593.631  747.455 -411.5537  1238.26  1169.85  937.526   36.852   17.133   48.756   17.969 -11.90384 24.82784 
1 1 1  -96    2   12 o   29.854   13.714 -250.1395  759.586 -1284.7061  1264.56  333.842  950.081   32.006   15.534   38.014   16.523 -6.008312 22.67811 
1 1 1  -96    2   13 o   25.961   12.379 -613.6965  724.440 -1282.4270  1400.83 -369.5517  846.413   32.905   16.055   29.892   13.985 3.012728 21.29208 
1 1 1  -96    4    1 o   93.176   11.339  3707.80  840.206  3901.49  865.583  549.009  3495.55   95.594   11.375   67.911   30.487 27.68378 32.53962 
1 1 1  -96    4    2 o  136.293   12.697  7977.17  1388.97  8072.39  1452.83  6965.01  4736.77  136.785   13.247  102.701   39.800 34.08427 41.94686 
1 1 1  -96    4    3 o  120.379   9.0515  6071.78  878.247  4519.68  1367.71  7160.79  1145.64   99.547   17.563  129.872   10.967 -30.32449 20.70579 
1 1 1  -96    4    4 o   81.286   8.9369  2787.03  580.104  861.026  1028.59  3685.39  702.486   48.569   18.620   93.430   9.3870 -44.86162 20.85211 
1 1 1  -96    4    5 o  217.625   17.920 21633.12  3138.36  5209.96  7724.51 24880.03  3434.61   88.604   41.705  232.887   18.311 -144.2829 45.54795 
1 1 1  -96    4    6 o   52.100   11.876  1207.27  491.246  1133.87  995.686  1230.89  564.769   51.414   18.583   52.231   13.286 -0.8173828 22.84393 
1 1 1  -96    4    7 o   35.903   12.743  509.402  466.034  618.954  952.221  474.896  534.412   43.922   17.588   36.182   13.521 7.739182 22.18478 
1 1 1  -96    4    8 o   68.923   12.355  2127.32  666.039  1912.76  1186.64  2226.00  804.758   61.731   20.381   69.253   14.763 -7.522202 25.16559 
1 1 1  -96    4    9 o  112.303   11.986  5595.59  1076.04  4533.73  1851.00  6137.62  1322.46   88.893   24.738  115.581   14.404 -26.68800 28.62617 
1 1 1  -96    4   10 o   70.440   15.493  2403.88  862.050  1591.39  1515.12  2792.80  1048.26   55.914   22.254   74.338   17.633 -18.42469 28.39291 
1 1 1  -96    4   11 o   49.169   16.956  1215.24  821.375  589.344  1480.45  1493.58  987.259   45.887   20.263   53.208   18.576 -7.320862 27.48954 
1 1 1  -96    4   12 o   97.778   15.630  4817.86  1199.14  3016.24  1998.82  5830.85  1498.81   62.964   25.387  103.967   18.429 -41.00324 31.37116 
1 1 1  -96    4   13 o   34.388   14.904  291.536  768.583  256.538  1610.27  301.861  874.643   41.561   19.394   35.743   15.687 5.817745 24.94358 
1 1 1  -96    6    1 o   79.717   33.837  2847.91  3809.97   0.0000   0.0000  2847.91  3809.97  ?   ?    79.717   33.837 0.000000 33.83662 
1 1 1  -96    6    2 o   78.044   35.274  1905.09  4771.73   0.0000   0.0000  1905.09  4771.73  ?   ?    78.044   35.274 0.000000 35.27407 
1 1 1  -96    6    3 o   60.525   29.465 -3829.0271  4643.69   0.0000   0.0000 -3829.0271  4643.69  ?   ?    60.525   29.465 0.000000 29.46532 
1 1 1  -96    6    4 o   31.812   10.366  416.107  307.335  837.133  630.287  284.776  352.020   44.363   14.860   29.291   10.968 15.07167 18.46994 
1 1 1  -96    6    5 o   11.038   5.4954 -491.5067  194.899 -1274.7800  535.149 -371.7266  209.272   18.438   9.1675   12.811   6.2406 5.627727 11.09005 
1 1 1  -96    6    6 o   88.123   9.5233  3309.32  670.588  2557.51  1231.18  3626.43  799.604   71.898   20.235   91.613   10.967 -19.71529 23.01593 
1 1 1  -96    6    7 o   74.272   10.842  2405.82  634.547  995.806  1272.08  2872.89  732.140   51.081   20.372   80.968   11.456 -29.88659 23.37209 
1 1 1  -96    6    8 o   87.239   11.159  3338.79  772.349  2033.14  1451.82  3854.16  912.130   62.594   22.463   93.051   12.380 -30.45722 25.64826 
1 1 1  -96    6    9 o   26.966   11.820 -35.4142  495.223 -1588.0341  1126.89  336.207  551.313   29.677   14.462   33.567   13.404 -3.890116 19.71849 
1 1 1  -96    6   10 o   75.733   13.526  2681.78  801.238  2087.27  1479.95  2928.29  952.983   60.538   22.525   77.523   15.678 -16.98515 27.44418 
1 1 1  -96    6   11 o   41.955   15.459  806.638  693.801 -1059.3640  1352.92  1472.47  808.159   34.572   16.601   53.261   16.755 -18.68861 23.58678 
1 1 1  -96    6   12 o   34.754   15.265  192.876  829.833 -1164.2900  1382.81  956.713  1037.40   33.683   16.324   44.670   18.189 -10.98640 24.43964 
1 1 1  -96    8    1 f   87.460   37.093  4441.64  4572.69   0.0000   0.0000  4441.64  4572.69  ?   ?    87.460   37.093 0.000000 37.09309 
1 1 1  -96    8    2 o   65.204   31.395 -2319.3059  4914.62   0.0000   0.0000 -2319.3059  4914.62  ?   ?    65.204   31.395 0.000000 31.39469 
1 1 1  -96    8    3 o   88.343   40.387  5066.20  6480.12   0.0000   0.0000  5066.20  6480.12  ?   ?    88.343   40.387 0.000000 40.38741 
1 1 1  -96    8    4 o   89.362   41.088  6091.74  6839.67   0.0000   0.0000  6091.74  6839.67  ?   ?    89.362   41.088 0.000000 41.08805 
1 1 1  -96    8    5 o  157.451   13.572 10913.14  1718.20   0.0000   0.0000 10913.14  1718.20  ?   ?   157.451   13.572 0.000000 13.57227 
1 1 1  -96    8    6 o   31.002   10.450  390.286  311.722  1572.13  714.330  112.288  346.449   58.175   15.019   25.424   10.450 32.75097 18.29681 
1 1 1  -96    8    7 o   97.491   9.8071  4084.53  765.790  2869.60  1440.41  4563.24  904.157   73.569   22.232  102.353   11.055 -28.78380 24.82930 
1 1 1  -96    8    8 o   69.535   12.073  2174.68  656.904 -9631.6572  7260.15  2272.14  659.609   57.026   29.003   71.248   11.816 -14.22183 31.31800 
1 1 1  -96    8    9 o   71.315   12.610  2329.23  703.458  1809.68  1503.53  2474.84  795.951   58.264   22.467   72.641   14.002 -14.37719 26.47321 
1 1 1  -96    8   10 o   26.279   11.389   23.049  448.771 -22.9675  1232.73   30.080  481.834   39.328   17.838   27.200   11.794 12.12849 21.38437 
1 1 1  -96    8   11 o   38.128   14.759  605.232  650.744  1031.59  1461.56  499.813  726.754   48.039   20.686   37.380   15.222 10.65947 25.68329 
1 1 1  -96    8   12 o   48.418   15.499  1241.74  689.165 -510.4713  1675.69  1598.45  756.068   38.949   18.642   54.415   16.029 -15.46646 24.58585 
1 1 1  -96   10    1 o   72.381   33.657  888.687  4782.84   0.0000   0.0000  888.687  4782.84  ?   ?    72.381   33.657 0.000000 33.65704 
1 1 1  -96   10    2 o   69.980   33.823 -1335.8130  5836.62   0.0000   0.0000 -1335.8130  5836.62  ?   ?    69.980   33.823 0.000000 33.82263 
1 1 1  -96   10    3 o   78.426   37.532  2000.91  6786.61   0.0000   0.0000  2000.91  6786.61  ?   ?    78.426   37.532 0.000000 37.53246 
1 1 1  -96   10    4 o   70.872   35.040 -2279.1460  7412.01   0.0000   0.0000 -2279.1460  7412.01  ?   ?    70.872   35.040 0.000000 35.03972 
1 1 1  -96   10    5 o   82.489   40.678  6069.72  9768.98   0.0000   0.0000  6069.72  9768.98  ?   ?    82.489   40.678 0.000000 40.67832 
1 1 1  -96   10    6 o   50.506   11.586  1145.66  465.041   0.0000   0.0000  1145.66  465.041  ?   ?    50.506   11.586 0.000000 11.58623 
1 1 1  -96   10    7 o   66.368   11.417  1962.61  593.045   0.0000   0.0000  1962.61  593.045  ?   ?    66.368   11.417 0.000000 11.41678 
1 1 1  -96   10    8 o   40.150   13.074  723.704  488.919   0.0000   0.0000  723.704  488.919  ?   ?    40.150   13.074 0.000000 13.07370 
1 1 1  -96   10    9 f   24.646   10.946 -81.0306  438.163   0.0000   0.0000 -81.0306  438.163  ?   ?    24.646   10.946 0.000000 10.94650 
1 1 1  -96   10   10 o  110.067   14.147  5796.02  1235.04   0.0000   0.0000  5796.02  1235.04  ?   ?   110.067   14.147 0.000000 14.14671 
1 1 1  -96   10   11 o   92.345   14.357  4209.00  1041.54   0.0000   0.0000  4209.00  1041.54  ?   ?    92.345   14.357 0.000000 14.35711 
1 1 1  -96   12    1 o   76.938   35.689  2672.84  5326.68   0.0000   0.0000  2672.84  5326.68  ?   ?    76.938   35.689 0.000000 35.68855 
1 1 1  -96   12    2 o   94.246   43.833 10266.96  8119.17   0.0000   0.0000 10266.96  8119.17  ?   ?    94.246   43.833 0.000000 43.83335 
1 1 1  -96   12    3 o   64.502   31.785 -2946.5271  5927.86   0.0000   0.0000 -2946.5271  5927.86  ?   ?    64.502   31.785 0.000000 31.78495 
1 1 1  -96   12    4 o   89.001   43.416 12425.34 10227.34   0.0000   0.0000 12425.34 10227.34  ?   ?    89.001   43.416 0.000000 43.41568 
1 1 1  -96   12    5 o   98.322   47.917 27001.05 12373.33   0.0000   0.0000 27001.05 12373.33  ?   ?    98.322   47.917 0.000000 47.91653 
1 1 1  -96   12    6 o   67.742   33.960 -363.3382  8035.97   0.0000   0.0000 -363.3382  8035.97  ?   ?    67.742   33.960 0.000000 33.95991 
1 1 1  -96   12    7 o   64.707   10.546  1857.03  534.987   0.0000   0.0000  1857.03  534.987  ?   ?    64.707   10.546 0.000000 10.54570 
1 1 1  -96   12    8 o  111.165   11.825  5564.62  1051.01   0.0000   0.0000  5564.62  1051.01  ?   ?   111.165   11.825 0.000000 11.82544 
1 1 1  -96   12    9 o   24.659   10.458   70.463  363.423   0.0000   0.0000   70.463  363.423  ?   ?    24.659   10.458 0.000000 10.45765 
1 1 1  -96   12   10 o   56.841   13.331  1579.23  604.625   0.0000   0.0000  1579.23  604.625  ?   ?    56.841   13.331 0.000000 13.33107 
1 1 1  -96   14    1 o   86.468   40.304  7732.35  6924.16   0.0000   0.0000  7732.35  6924.16  ?   ?    86.468   40.304 0.000000 40.30372 
1 1 1  -96   14    2 o  102.028   47.189 18498.00  9213.24   0.0000   0.0000 18498.00  9213.24  ?   ?   102.028   47.189 0.000000 47.18859 
1 1 1  -96   14    3 o   65.020   32.679 -4215.4922  7682.47   0.0000   0.0000 -4215.4922  7682.47  ?   ?    65.020   32.679 0.000000 32.67860 
1 1 1  -96   14    4 o   48.186   24.768 -21837.6406  6998.89   0.0000   0.0000 -21837.6406  6998.89  ?   ?    48.186   24.768 0.000000 24.76777 
1 1 1  -96   14    5 f   71.086   36.171  3141.54 11392.10   0.0000   0.0000  3141.54 11392.10  ?   ?    71.086   36.171 0.000000 36.17147 
1 1 1  -96   14    6 o   74.065   37.358 10888.42 10537.64   0.0000   0.0000 10888.42 10537.64  ?   ?    74.065   37.358 0.000000 37.35804 
1 1 1  -96   14    7 o   64.300   33.048  1417.99 12250.74   0.0000   0.0000  1417.99 12250.74  ?   ?    64.300   33.048 0.000000 33.04789 
1 1 1  -96   14    8 o   46.706   11.625  1019.01  439.106   0.0000   0.0000  1019.01  439.106  ?   ?    46.706   11.625 0.000000 11.62467 
1 1 1  -96   16    1 o   73.035   35.919  3775.00  7446.56   0.0000   0.0000  3775.00  7446.56  ?   ?    73.035   35.919 0.000000 35.91881 
1 1 1  -96   16    2 f   60.088   30.371 -5780.2749  7177.10   0.0000   0.0000 -5780.2749  7177.10  ?   ?    60.088   30.371 0.000000 30.37082 
1 1 1  -96   16    3 o   74.949   37.321  7712.34  9007.93   0.0000   0.0000  7712.34  9007.93  ?   ?    74.949   37.321 0.000000 37.32083 
1 1 1  -96   16    4 o   79.069   39.722 17577.44 11289.52   0.0000   0.0000 17577.44 11289.52  ?   ?    79.069   39.722 0.000000 39.72245 
1 1 1  -96   16    5 o   61.124   31.223 -3505.8240  9184.31   0.0000   0.0000 -3505.8240  9184.31  ?   ?    61.124   31.223 0.000000 31.22327 
1 1 1  -96   16    6 o   63.287   32.550  2839.18 12361.84   0.0000   0.0000  2839.18 12361.84  ?   ?    63.287   32.550 0.000000 32.55035 
1 1 1  -95    1    1 o   83.262   6.9264  2869.69  464.016  2060.47  675.045  3594.53  638.883   68.853   12.536   92.810   8.5748 -23.95750 15.18849 
1 1 1  -95    1    2 o  175.420   9.7601 12860.76  1384.68 12070.38  1970.33 13632.01  1946.35  166.957   14.684  178.306   13.545 -11.34840 19.97685 
1 1 1  -95    1    3 o  254.641   13.042 27694.61  2687.44 27236.18  3792.83 28156.82  3808.43  245.638   19.168  250.127   18.891 -4.489014 26.91286 
1 1 1  -95    1    4 o  192.633   11.488 15731.51  1788.66 13817.89  2468.33 17847.46  2595.55  175.651   17.541  201.311   16.011 -25.66008 23.74997 
1 1 1  -95    1    5 o   73.881   9.6808  2320.34  566.767  4768.80  865.006  478.456  750.248  106.125   10.163   40.024   15.745 66.10071 18.73967 
1 1 1  -95    1    6 o   73.515   10.783  2328.86  624.535  2330.58  949.536  2327.55  829.112   70.967   16.748   71.844   14.708 -0.8766937 22.28976 
1 1 1  -95    1    7 o   85.778   11.050  3177.70  751.711  3016.43  1092.87  3322.51  1035.60   80.290   17.276   85.425   15.501 -5.134506 23.21079 
1 1 1  -95    1    8 o   77.430   12.763  2666.55  774.477  2033.64  1115.47  3255.61  1076.14   64.357   19.591   83.518   16.454 -19.16029 25.58397 
1 1 1  -95    1    9 o   64.819   14.300  1944.30  732.407  2230.62  1114.69  1726.79  971.556   66.622   19.417   59.381   18.321 7.240730 26.69571 
1 1 1  -95    1   10 o   39.097   14.962  577.581  663.429  863.890  1023.91  370.405  870.993   46.541   18.366   39.080   16.359 7.460762 24.59578 
1 1 1  -95    1   11 o   42.711   15.704  804.026  715.449  485.866  1030.83  1099.73  993.782   41.677   17.640   48.494   18.370 -6.817173 25.46851 
1 1 1  -95    1   12 o   88.482   14.851  3813.59  1029.18  3561.96  1517.26  4028.04  1400.67   76.080   22.779   84.466   20.606 -8.385590 30.71618 
1 1 1  -95    1   13 o   33.908   15.103   96.278  840.059 -258.9888  1370.74  309.971  1063.10   37.804   17.722   38.479   17.072 -0.6744728 24.60775 
1 1 1  -95    1   14 o   65.981   19.208  2710.09  1091.42  2654.33  1762.83  2744.75  1389.82   56.382   23.410   61.160   21.975 -4.777306 32.10765 
1 1 1  -95    3    1 o  130.455   11.504  7208.75  1206.04  6957.34  1263.35  9792.77  4050.32  127.753   12.332  129.877   36.754 -2.124413 38.76777 
1 1 1  -95    3    2 o   77.151   12.295  2573.78  744.348  2280.77  763.295  8257.13  3361.65   72.083   13.539  122.353   33.056 -50.26993 35.72089 
1 1 1  -95    3    3 o  109.107   10.324  5026.29  903.738  4126.10  3139.60  5107.62  943.679   87.665   32.770  109.831   10.718 -22.16560 34.47869 
1 1 1  -95    3    4 o  156.400   10.125 10291.85  1278.86  9350.32  1891.65 11084.44  1735.58  145.059   16.345  160.223   13.466 -15.16487 21.17768 
1 1 1  -95    3    5 o   85.659   42.006  770.640  9953.79  770.640  9953.79   0.0000   0.0000   85.659   42.006  ?   ?  0.000000 42.00561 
1 1 1  -95    3    6 o   65.921   11.163  1889.62  576.198  987.768  971.958  2378.31  715.477   49.509   18.287   73.612   12.412 -24.10250 22.10156 
1 1 1  -95    3    7 o   56.683   12.283  1431.98  549.010  2068.69  988.385  1147.88  660.231   65.911   17.973   50.292   15.019 15.61905 23.42227 
1 1 1  -95    3    8 o  114.412   11.151  5664.04  1022.75  3637.97  1625.24  6992.40  1315.98   83.108   23.199  125.828   13.071 -42.71918 26.62818 
1 1 1  -95    3    9 o   37.771   14.348  521.867  607.326 -383.4813  1034.71  997.704  750.136   35.221   16.116   47.096   16.206 -11.87461 22.85520 
1 1 1  -95    3   10 o   66.591   15.244  2118.36  806.427  3297.45  1316.76  1410.68  1020.12   79.190   20.364   53.623   18.873 25.56725 27.76486 
1 1 1  -95    3   11 o   19.610   9.7485 -1350.8600  604.015 -1066.3280  1044.34 -1493.8820  740.419   30.363   14.581   22.217   11.000 8.145660 18.26543 
1 1 1  -95    3   12 o   47.546   17.196  1138.83  852.807 -181.0750  1519.48  1745.79  1030.40   40.803   18.972   56.167   19.000 -15.36417 26.85031 
1 1 1  -95    3   13 o   40.850   16.754  715.020  888.291  1332.57  1439.82  335.522  1128.69   49.045   20.808   39.190   17.477 9.854359 27.17417 
1 1 1  -95    3   14 o   38.415   15.782  666.689  789.893  514.362  1764.33  704.875  883.368   42.544   19.996   39.407   16.484 3.137150 25.91440 
1 1 1  -95    5    1 o  110.455   38.632  7573.16  4270.74   0.0000   0.0000  7573.16  4270.74  ?   ?   110.455   38.632 0.000000 38.63175 
1 1 1  -95    5    2 o  136.219   15.247  8128.00  1657.52  7035.53  1748.06 17862.86  5218.13  125.087   17.705  174.908   37.842 -49.82088 41.77901 
1 1 1  -95    5    3 o   72.437   28.587  2329.63  2480.80  2329.63  2480.80   0.0000   0.0000   72.437   28.587  ?   ?  0.000000 28.58729 
1 1 1  -95    5    4 o   92.557   8.9772  3600.99  666.181  2023.10  1179.13  4340.80  807.389   65.569   20.176  101.325   9.9416 -35.75571 22.49207 
1 1 1  -95    5    5 o  212.061   13.778 19553.96  2359.48 11772.47  3464.55 26285.00  3222.24  147.395   29.969  242.630   16.453 -95.23495 34.18884 
1 1 1  -95    5    6 o   85.420   11.273  3153.17  762.776  4366.00  4987.24  3124.12  771.857   84.398   37.234   84.924   11.488 -0.5257263 38.96630 
1 1 1  -95    5    7 o   34.930   12.592  465.867  456.736  212.960  1030.97  527.624  509.457   40.759   17.458   36.907   13.300 3.851578 21.94711 
1 1 1  -95    5    8 o  100.708   11.063  4403.29  889.702  3129.17  1617.20  4956.29  1065.43   76.321   23.652  105.898   12.641 -29.57800 26.81791 
1 1 1  -95    5    9 o   98.355   11.805  4274.45  923.897  4981.33  1711.01  3983.51  1097.68   97.141   22.180   92.620   15.118 4.521072 26.84215 
1 1 1  -95    5   10 o   52.322   15.440  1320.77  700.982  1794.32  1360.46  1149.61  817.913   58.411   21.624   49.145   16.922 9.266296 27.45784 
1 1 1  -95    5   11 o   26.212   12.417 -629.0551  705.201  750.432  1205.56 -1346.6150  869.477   45.529   19.163   25.587   12.519 19.94270 22.89003 
1 1 1  -95    5   12 o   45.884   17.256  1040.43  873.172  2408.85  1451.94  265.126  1092.88   61.597   22.413   39.126   17.337 22.47003 28.33620 
1 1 1  -95    5   13 o   93.373   16.452  4606.54  1201.78  4522.76  1989.18  4654.70  1508.14   73.906   26.317   86.265   21.584 -12.35936 34.03644 
1 1 1  -95    7    1 f   72.704   32.097  1370.98  3712.36   0.0000   0.0000  1370.98  3712.36  ?   ?    72.704   32.097 0.000000 32.09740 
1 1 1  -95    7    2 o  100.398   41.919  6971.65  5697.64   0.0000   0.0000  6971.65  5697.64  ?   ?   100.398   41.919 0.000000 41.91854 
1 1 1  -95    7    3 o   66.303   31.752 -2124.7041  4875.55   0.0000   0.0000 -2124.7041  4875.55  ?   ?    66.303   31.752 0.000000 31.75200 
1 1 1  -95    7    4 o   76.588   36.498  170.419  6275.85   0.0000   0.0000  170.419  6275.85  ?   ?    76.588   36.498 0.000000 36.49773 
1 1 1  -95    7    5 o   75.073   9.3502  2396.07  557.606  670.429  1049.74  3074.35  658.131   46.245   18.485   85.028   9.7066 -38.78324 20.87858 
1 1 1  -95    7    6 o   88.827   9.3615  3351.58  665.026  1883.38  1247.75  3934.14  785.965   62.513   20.909   95.905   10.252 -33.39197 23.28695 
1 1 1  -95    7    7 o   42.096   12.085  788.601  434.747  694.368  971.487  812.198  486.142   45.037   17.853   42.740   12.916 2.297451 22.03502 
1 1 1  -95    7    8 o   40.877   13.110  737.099  492.903 -911.9995  1051.32  1201.72  558.036   32.108   15.196   51.175   13.306 -19.06723 20.19786 
1 1 1  -95    7    9 o   92.047   11.902  3771.28  868.723  791.471  1567.73  5091.71  1043.60   50.292   21.535  106.853   12.250 -56.56094 24.77494 
1 1 1  -95    7   10 o   31.790   12.969  261.216  528.680  640.881  993.260  111.134  624.492   43.079   17.698   31.582   13.559 11.49625 22.29523 
1 1 1  -95    7   11 o   48.993   15.638  1194.51  701.935 -74.2483  1353.18  1661.58  821.035   40.148   18.392   56.779   16.697 -16.63056 24.84055 
1 1 1  -95    7   12 o   35.367   14.944  346.562  737.722 -805.0692  1370.76  816.131  875.295   35.366   16.910   42.492   16.914 -7.126476 23.91665 
1 1 1  -95    7   13 o   72.312   16.972  2889.39  979.408  1078.58  1696.27  3794.98  1199.56   46.505   21.024   81.046   18.620 -34.54068 28.08413 
1 1 1  -95    9    1 o   60.816   28.930 -1950.2760  3906.47   0.0000   0.0000 -1950.2760  3906.47  ?   ?    60.816   28.930 0.000000 28.92962 
1 1 1  -95    9    2 o  122.337   48.942 14281.96  7365.60   0.0000   0.0000 14281.96  7365.60  ?   ?   122.337   48.942 0.000000 48.94211 
1 1 1  -95    9    3 o   86.625   39.081  4318.33  5826.15   0.0000   0.0000  4318.33  5826.15  ?   ?    86.625   39.081 0.000000 39.08075 
1 1 1  -95    9    4 o  101.738   46.577 11414.70  8660.02   0.0000   0.0000 11414.70  8660.02  ?   ?   101.738   46.577 0.000000 46.57691 
1 1 1  -95    9    5 o   78.504   38.484  862.424  8331.74   0.0000   0.0000  862.424  8331.74  ?   ?    78.504   38.484 0.000000 38.48359 
1 1 1  -95    9    6 o  130.116   12.157  7380.13  1269.53   0.0000   0.0000  7380.13  1269.53  ?   ?   130.116   12.157 0.000000 12.15723 
1 1 1  -95    9    7 o   48.787   11.501  1067.21  448.154   25.181  1005.60  1325.46  500.617   38.202   16.792   54.411   11.681 -16.20879 20.45467 
1 1 1  -95    9    8 o   60.699   10.928  1635.10  518.774  176.668  1313.17  1904.81  564.709   43.287   19.101   65.591   10.992 -22.30425 22.03824 
1 1 1  -95    9    9 o   53.948   12.418  1341.48  532.688  2870.98  1383.65  1075.34  577.176   71.993   21.798   47.809   13.983 24.18357 25.89685 
1 1 1  -95    9   10 o   44.897   14.492  958.159  601.540 -1293.5190  1501.23  1388.83  656.552   35.986   17.333   53.362   14.689 -17.37639 22.71978 
1 1 1  -95    9   11 o   28.217   12.515 -35.5147  570.773 -2122.9280  1428.55  361.016  622.630   31.285   15.451   34.261   14.037 -2.976610 20.87527 
1 1 1  -95    9   12 o   68.950   14.662  2409.22  795.603  435.879  1892.64  2832.77  876.839   44.997   21.006   74.597   14.996 -29.59993 25.81011 
1 1 1  -95   11    1 o   77.912   35.333  2386.28  4834.60   0.0000   0.0000  2386.28  4834.60  ?   ?    77.912   35.333 0.000000 35.33302 
1 1 1  -95   11    2 o   84.347   38.635  4037.61  5969.28   0.0000   0.0000  4037.61  5969.28  ?   ?    84.347   38.635 0.000000 38.63535 
1 1 1  -95   11    3 o   51.599   25.824 -7734.0718  4557.22   0.0000   0.0000 -7734.0718  4557.22  ?   ?    51.599   25.824 0.000000 25.82423 
1 1 1  -95   11    4 o   90.952   43.526  8885.70  9126.10   0.0000   0.0000  8885.70  9126.10  ?   ?    90.952   43.526 0.000000 43.52605 
1 1 1  -95   11    5 o   97.363   46.331 15358.28 10037.30   0.0000   0.0000 15358.28 10037.30  ?   ?    97.363   46.331 0.000000 46.33138 
1 1 1  -95   11    6 o   78.531   38.860  4714.03  9188.19   0.0000   0.0000  4714.03  9188.19  ?   ?    78.531   38.860 0.000000 38.86005 
1 1 1  -95   11    7 o   59.891   11.554  1606.41  541.485   0.0000   0.0000  1606.41  541.485  ?   ?    59.891   11.554 0.000000 11.55361 
1 1 1  -95   11    8 o   56.575   11.507  1447.55  510.592   0.0000   0.0000  1447.55  510.592  ?   ?    56.575   11.507 0.000000 11.50679 
1 1 1  -95   11    9 f   26.629   10.859  162.145  370.426   0.0000   0.0000  162.145  370.426  ?   ?    26.629   10.859 0.000000 10.85871 
1 1 1  -95   11   10 o   94.641   13.368  4216.94  998.643   0.0000   0.0000  4216.94  998.643  ?   ?    94.641   13.368 0.000000 13.36757 
1 1 1  -95   11   11 o   25.835   11.845 -223.5835  562.855   0.0000   0.0000 -223.5835  562.855  ?   ?    25.835   11.845 0.000000 11.84476 
1 1 1  -95   13    1 o   74.023   34.993  1370.31  5545.71   0.0000   0.0000  1370.31  5545.71  ?   ?    74.023   34.993 0.000000 34.99277 
1 1 1  -95   13    2 o   94.781   43.311  9609.41  7441.77   0.0000   0.0000  9609.41  7441.77  ?   ?    94.781   43.311 0.000000 43.31110 
1 1 1  -95   13    3 o   77.934   37.480  2987.10  6955.86   0.0000   0.0000  2987.10  6955.86  ?   ?    77.934   37.480 0.000000 37.48006 
1 1 1  -95   13    4 o   79.969   39.579  4858.56  9547.97   0.0000   0.0000  4858.56  9547.97  ?   ?    79.969   39.579 0.000000 39.57903 
1 1 1  -95   13    5 o   78.636   39.040  5904.46  9565.05   0.0000   0.0000  5904.46  9565.05  ?   ?    78.636   39.040 0.000000 39.04027 
1 1 1  -95   13    6 o   80.967   40.075 10831.82  9793.08   0.0000   0.0000 10831.82  9793.08  ?   ?    80.967   40.075 0.000000 40.07482 
1 1 1  -95   13    7 o   52.637   27.070 -19990.0801  8521.94   0.0000   0.0000 -19990.0801  8521.94  ?   ?    52.637   27.070 0.000000 27.07046 
1 1 1  -95   13    8 o  124.335   12.645  7036.03  1258.82   0.0000   0.0000  7036.03  1258.82  ?   ?   124.335   12.645 0.000000 12.64505 
1 1 1  -95   13    9 o   30.430   12.389  252.779  481.292   0.0000   0.0000  252.779  481.292  ?   ?    30.430   12.389 0.000000 12.38947 
1 1 1  -95   13   10 o   70.901   13.043  2408.55  723.184   0.0000   0.0000  2408.55  723.184  ?   ?    70.901   13.043 0.000000 13.04257 
1 1 1  -95   15    1 o   88.596   41.225  8777.17  7194.44   0.0000   0.0000  8777.17  7194.44  ?   ?    88.596   41.225 0.000000 41.22454 
1 1 1  -95   15    2 o   89.036   42.279 10737.16  8272.09   0.0000   0.0000 10737.16  8272.09  ?   ?    89.036   42.279 0.000000 42.27892 
1 1 1  -95   15    3 o   58.080   29.224 -6789.5942  6232.78   0.0000   0.0000 -6789.5942  6232.78  ?   ?    58.080   29.224 0.000000 29.22353 
1 1 1  -95   15    4 o   74.143   37.014  4092.90  9101.57   0.0000   0.0000  4092.90  9101.57  ?   ?    74.143   37.014 0.000000 37.01444 
1 1 1  -95   15    5 o   63.705   32.406 -5089.5708  9090.16   0.0000   0.0000 -5089.5708  9090.16  ?   ?    63.705   32.406 0.000000 32.40551 
1 1 1  -95   15    6 o   74.680   38.028 14730.19 12763.88   0.0000   0.0000 14730.19 12763.88  ?   ?    74.680   38.028 0.000000 38.02786 
1 1 1  -95   15    7 o   58.586   30.159 -10379.5498 10958.76   0.0000   0.0000 -10379.5498 10958.76  ?   ?    58.586   30.159 0.000000 30.15907 
1 1 1  -95   15    8 o   73.224   11.738  2462.95  674.337   0.0000   0.0000  2462.95  674.337  ?   ?    73.224   11.738 0.000000 11.73844 
1 1 1  -95   17    1 o   66.143   32.971 -751.1754  7109.59   0.0000   0.0000 -751.1754  7109.59  ?   ?    66.143   32.971 0.000000 32.97136 
1 1 1  -95   17    2 o   66.617   33.177  212.661  7129.58   0.0000   0.0000  212.661  7129.58  ?   ?    66.617   33.177 0.000000 33.17720 
1 1 1  -95   17    3 o   79.741   39.664 13473.98 10060.48   0.0000   0.0000 13473.98 10060.48  ?   ?    79.741   39.664 0.000000 39.66362 
1 1 1  -95   17    4 o   76.152   38.515 15243.97 11653.11   0.0000   0.0000 15243.97 11653.11  ?   ?    76.152   38.515 0.000000 38.51482 
1 1 1  -95   17    5 o   63.628   32.603 -686.8879 10770.63   0.0000   0.0000 -686.8879 10770.63  ?   ?    63.628   32.603 0.000000 32.60268 
1 1 1  -94    0    1 o   99.484   10.244  4210.00  807.423  4210.00  807.423   0.0000   0.0000   99.484   10.244   99.484   10.244 0.000000 0.000000 
1 1 1  -94    0    2 o  129.391   11.994  7120.90  1235.26   0.0000   0.0000  7120.90  1235.26  129.391   11.994  129.391   11.994 -0.000000 0.000000 
1 1 1  -94    0    3 o  373.438   29.708 65381.25  8876.74   0.0000   0.0000 65381.25  8876.74  373.438   29.708  373.438   29.708 -0.000000 0.000000 
1 1 1  -94    0    4 o  297.142   24.175 39787.25  5743.92   0.0000   0.0000 39787.25  5743.92  297.142   24.175  297.142   24.175 -0.000000 0.000000 
1 1 1  -94    0    5 o   98.086   13.535  4226.83  1019.45  4226.83  1019.45   0.0000   0.0000   98.086   13.535   98.086   13.535 0.000000 0.000000 
1 1 1  -94    0    6 o   98.857   15.278  4374.54  1139.16  4374.54  1139.16   0.0000   0.0000   98.857   15.278   98.857   15.278 0.000000 0.000000 
1 1 1  -94    0    7 o   22.879   15.020 -71.0693  701.522 -71.0693  701.522   0.0000   0.0000   22.879   15.020   22.879   15.020 0.000000 0.000000 
1 1 1  -94    0    8 o   41.953   21.391  1140.93  917.240  1140.93  917.240   0.0000   0.0000   41.953   21.391   41.953   21.391 0.000000 0.000000 
1 1 1  -94    0    9 o   52.911   23.240  1763.68  1044.12   0.0000   0.0000  1763.68  1044.12   52.911   23.240   52.911   23.240 -0.000000 0.000000 
1 1 1  -94    0   10 o   37.361   20.773  883.128  932.199  883.128  932.199   0.0000   0.0000   37.361   20.773   37.361   20.773 0.000000 0.000000 
1 1 1  -94    0   11 o   61.558   25.534  2395.80  1270.18  2395.80  1270.18   0.0000   0.0000   61.558   25.534   61.558   25.534 0.000000 0.000000 
1 1 1  -94    0   12 o   55.909   25.181  2081.30  1224.73   0.0000   0.0000  2081.30  1224.73   55.909   25.181   55.909   25.181 -0.000000 0.000000 
1 1 1  -94    0   13 o   31.515   20.057  332.707  1127.26   0.0000   0.0000  332.707  1127.26   31.515   20.057   31.515   20.057 -0.000000 0.000000 
1 1 1  -94    0   14 f   39.177   24.595  867.987  1630.85   0.0000   0.0000  867.987  1630.85   39.177   24.595   39.177   24.595 -0.000000 0.000000 
1 1 1  -94    2    1 o   78.895   28.245  2945.14  2294.14  2945.14  2294.14   0.0000   0.0000   78.895   28.245  ?   ?  0.000000 28.24487 
1 1 1  -94    2    2 o  106.569   10.124  4773.12  865.555  5276.84  2819.12  4720.70  909.484   99.835   31.276  105.755   10.741 -5.919998 33.06842 
1 1 1  -94    2    3 o  152.453   8.9425  9673.77  1102.12  9433.45  1613.83  9883.81  1508.73  148.213   13.560  152.467   12.291 -4.253677 18.30206 
1 1 1  -94    2    4 o  195.430   11.252 16125.42  1777.99 14796.22  2553.77 17375.80  2476.90  182.352   17.461  199.613   15.401 -17.26062 23.28285 
1 1 1  -94    2    5 o   42.484   11.196  788.841  391.675  272.477  681.083  1043.99  478.763   36.050   14.715   48.670   12.152 -12.62004 19.08399 
1 1 1  -94    2    6 o   37.053   12.470  560.253  443.823 -397.6630  708.254  1179.63  569.511   29.121   13.328   51.388   13.481 -22.26710 18.95690 
1 1 1  -94    2    7 f   72.922   11.028  2301.12  632.583  1370.85  1023.34  2876.44  804.757   55.234   18.933   80.963   12.656 -25.72926 22.77363 
1 1 1  -94    2    8 o   56.805   13.239  1456.99  599.314  1469.83  949.403  1448.48  772.734   56.139   18.215   55.853   16.134 0.2852783 24.33322 
1 1 1  -94    2    9 o   94.874   11.770  3944.89  887.203  3145.72  1315.41  4611.85  1201.68   79.016   20.372  100.356   15.225 -21.33999 25.43262 
1 1 1  -94    2   10 o   46.026   15.617  959.132  696.211  2288.39  1100.33   71.683  899.064   67.140   19.211   36.594   15.986 30.54603 24.99259 
1 1 1  -94    2   11 o   62.679   15.716  1915.29  798.346  2325.03  1216.06  1604.93  1058.36   65.615   20.539   55.988   19.251 9.626987 28.15045 
1 1 1  -94    2   12 o   92.811   14.458  4115.84  1054.06  4088.21  1584.32  4137.79  1411.88   82.951   22.812   86.732   20.392 -3.781303 30.59717 
1 1 1  -94    2   13 o   42.255   16.491  818.261  817.631  1093.81  1281.59  629.126  1061.79   47.461   19.854   41.789   17.804 5.671680 26.66732 
1 1 1  -94    2   14 o   49.147   18.163  1412.85  959.004  552.222  1748.27  1783.27  1146.97   43.710   20.333   52.995   19.808 -9.285080 28.38613 
1 1 1  -94    4    1 o  235.891   13.870 23788.40  2644.93 22436.40  2909.20 30232.01  6351.12  227.326   15.861  239.682   33.554 -12.35594 37.11396 
1 1 1  -94    4    2 o   74.500   13.173  2418.35  767.714  2052.38  783.055 11484.58  3897.47   68.015   14.615  145.704   33.627 -77.68887 36.66512 
1 1 1  -94    4    3 o  118.976   8.7567  5900.83  839.998  4772.93  1297.89  6713.81  1101.90  103.848   15.898  126.089   10.869 -22.24129 19.25849 
1 1 1  -94    4    4 o  108.270   8.5579  4891.90  746.210  4686.95  1220.49  5014.25  942.993  103.160   15.011  108.758   10.822 -5.598030 18.50555 
1 1 1  -94    4    5 o   69.167   11.149  2064.60  604.873 -915.5858  3227.45  2173.09  615.784   59.415   27.635   71.040   11.034 -11.62438 29.75585 
1 1 1  -94    4    6 o   58.495   10.720  1485.42  490.387  1378.61  929.100  1526.66  577.359   55.271   18.024   58.734   12.491 -3.462925 21.92873 
1 1 1  -94    4    7 o   54.791   12.291  1335.80  533.338 -490.6319  1026.39  2011.37  624.229   34.954   16.014   67.751   11.775 -32.79630 19.87724 
1 1 1  -94    4    8 f  125.530   11.064  6783.27  1116.20  4199.78  1791.25  8423.27  1427.17   89.169   24.146  138.672   12.820 -49.50333 27.33830 
1 1 1  -94    4    9 o  164.632   12.466 11907.05  1654.03 11303.54  2600.03 12317.32  2143.75  149.135   22.144  163.074   16.413 -13.93855 27.56331 
1 1 1  -94    4   10 o   82.599   13.717  3124.13  887.688  3295.70  1528.79  3036.86  1090.32   77.366   22.794   78.703   17.513 -1.337158 28.74473 
1 1 1  -94    4   11 o   57.838   16.853  1676.89  839.879  2073.27  1484.00  1490.09  1018.73   60.925   22.578   54.173   18.872 6.752037 29.42675 
1 1 1  -94    4   12 f   59.445   18.046  1885.88  947.422  891.176  1618.54  2404.36  1168.54   48.811   21.383   65.279   20.085 -16.46729 29.33609 
1 1 1  -94    4   13 o   37.384   15.854  427.075  835.313  1201.10  1391.76  -8.7371  1044.32   48.469   20.505   35.947   16.348 12.52218 26.22410 
1 1 1  -94    4   14 o   42.351   17.249  903.552  933.245  1658.45  1488.59  414.710  1197.89   50.038   21.190   39.372   17.746 10.66621 27.63886 
1 1 1  -94    6    1 o  176.846   43.449 19652.84  6194.06   0.0000   0.0000 19652.84  6194.06  ?   ?   176.846   43.449 0.000000 43.44854 
1 1 1  -94    6    2 o   85.158   36.909  3103.17  4714.61   0.0000   0.0000  3103.17  4714.61  ?   ?    85.158   36.909 0.000000 36.90948 
1 1 1  -94    6    3 o   46.803   23.338 -7105.0322  3574.37   0.0000   0.0000 -7105.0322  3574.37  ?   ?    46.803   23.338 0.000000 23.33815 
1 1 1  -94    6    4 o   60.763   15.863  1675.74  791.078  1777.59  797.952 -4159.4829  6039.86   62.609   15.719   68.429   33.377 -5.819725 36.89328 
1 1 1  -94    6    5 o  113.436   9.6413  5423.77  879.599  2969.70  1472.13  6786.35  1096.94   77.819   22.206  126.407   10.791 -48.58848 24.68866 
1 1 1  -94    6    6 o   41.710   11.611  764.473  407.683  683.994  940.964  783.071  452.344   45.169   17.674   42.249   12.385 2.920803 21.58101 
1 1 1  -94    6    7 o   87.132   10.319  3255.12  715.879  1436.80  1378.03  3927.23  837.801   57.397   21.659   95.471   11.009 -38.07371 24.29647 
1 1 1  -94    6    8 o   43.751   13.215  854.861  508.983  986.164  1079.72  817.347  577.131   49.625   19.065   43.218   14.211 6.407005 23.77818 
1 1 1  -94    6    9 o   43.066   14.093  825.187  567.883  2074.97  1209.24  471.573  643.223   63.780   20.543   37.476   14.626 26.30419 25.21806 
1 1 1  -94    6   10 o   56.210   14.641  1501.02  674.904  1689.15  1286.90  1429.65  792.656   57.550   21.077   54.189   16.519 3.360638 26.77856 
1 1 1  -94    6   11 o   42.263   14.490  817.621  599.402  540.964  1306.11  891.432  674.640   44.836   19.430   43.926   15.355 0.9100723 24.76471 
1 1 1  -94    6   12 o   35.659   15.370  249.061  808.416  154.893  1369.52  299.421  1001.52   41.434   18.796   38.651   16.879 2.783459 25.26224 
1 1 1  -94    6   13 o   98.354   15.871  4976.91  1224.31  5448.82  1991.05  4689.98  1552.51   85.190   26.218   86.612   22.026 -1.421631 34.24199 
1 1 1  -94    6   14 f   32.157   14.767 -63.7595  879.518 -1745.1860  1473.68  866.498  1096.14   31.437   15.557   42.111   18.019 -10.67450 23.80546 
1 1 1  -94    8    1 o  132.091   42.148 11605.37  5099.28   0.0000   0.0000 11605.37  5099.28  ?   ?   132.091   42.148 0.000000 42.14775 
1 1 1  -94    8    2 o  113.549   45.343  9957.11  6309.48   0.0000   0.0000  9957.11  6309.48  ?   ?   113.549   45.343 0.000000 45.34319 
1 1 1  -94    8    3 f  116.395   47.468 11758.02  7079.70   0.0000   0.0000 11758.02  7079.70  ?   ?   116.395   47.468 0.000000 47.46839 
1 1 1  -94    8    4 o  107.781   47.523 11172.48  8112.46   0.0000   0.0000 11172.48  8112.46  ?   ?   107.781   47.523 0.000000 47.52256 
1 1 1  -94    8    5 o   70.784   34.680 -3215.5530  6737.50   0.0000   0.0000 -3215.5530  6737.50  ?   ?    70.784   34.680 0.000000 34.67993 
1 1 1  -94    8    6 o   45.020   10.660  892.250  383.642  438.895  829.072  1015.78  432.763   40.374   16.325   47.915   11.306 -7.541275 19.85783 
1 1 1  -94    8    7 o   78.087   9.4944  2606.65  589.593  1903.47  1172.07  2844.86  682.190   62.471   20.236   81.137   10.609 -18.66591 22.84801 
1 1 1  -94    8    8 o  100.808   12.127  4474.58  972.693  3437.30  7827.45  4490.85  980.291   76.749   37.555  100.941   12.209 -24.19201 39.48957 
1 1 1  -94    8    9 o   96.501   11.374  4099.94  874.127  2131.56  1637.94  4883.80  1033.63   63.185   23.660  104.676   12.402 -41.49071 26.71340 
1 1 1  -94    8   10 o   49.352   13.445  1144.37  553.432 -795.9913  1300.09  1573.80  611.615   36.152   17.045   58.038   13.268 -21.88648 21.59987 
1 1 1  -94    8   11 o   79.318   12.753  2917.85  793.495  1965.14  1658.43  3200.71  903.642   58.175   23.241   82.084   14.064 -23.90887 27.16527 
1 1 1  -94    8   12 o   49.057   16.303  1247.40  758.868   98.668  1588.79  1586.93  863.767   42.476   19.628   54.259   17.350 -11.78255 26.19721 
1 1 1  -94    8   13 o   32.238   14.565  -5.1287  812.659 -1733.2600  1484.39  734.523  971.122   32.251   15.895   41.168   17.256 -8.917156 23.46114 
1 1 1  -94   10    1 o   64.000   29.956 -975.3048  3890.85   0.0000   0.0000 -975.3048  3890.85  ?   ?    64.000   29.956 0.000000 29.95632 
1 1 1  -94   10    2 o  116.785   48.014 12597.39  7316.75   0.0000   0.0000 12597.39  7316.75  ?   ?   116.785   48.014 0.000000 48.01350 
1 1 1  -94   10    3 f  121.463   50.569 15806.79  8258.33   0.0000   0.0000 15806.79  8258.33  ?   ?   121.463   50.569 0.000000 50.56917 
1 1 1  -94   10    4 o   82.339   39.546  2072.90  7685.22   0.0000   0.0000  2072.90  7685.22  ?   ?    82.339   39.546 0.000000 39.54576 
1 1 1  -94   10    5 o   59.051   29.763 -10532.1299  6619.69   0.0000   0.0000 -10532.1299  6619.69  ?   ?    59.051   29.763 0.000000 29.76288 
1 1 1  -94   10    6 o  127.576   11.624  7044.63  1190.86   0.0000   0.0000  7044.63  1190.86  ?   ?   127.576   11.624 0.000000 11.62373 
1 1 1  -94   10    7 o   63.012   10.313  1731.78  509.408  2528.65  1306.83  1589.00  553.165   70.272   21.163   59.687   11.832 10.58538 24.24609 
1 1 1  -94   10    8 o   63.976   11.106  1813.94  555.995  1833.18  1276.39  1809.44  617.676   60.126   21.114   63.244   12.471 -3.117443 24.52262 
1 1 1  -94   10    9 o   83.630   11.881  3132.88  784.075   0.0000   0.0000  3132.88  784.075  ?   ?    83.630   11.881 0.000000 11.88064 
1 1 1  -94   10   10 o   38.242   13.885  621.071  556.742  1538.02  1464.99  466.288  601.900   54.678   21.844   36.075   14.130 18.60355 26.01547 
1 1 1  -94   10   11 o   79.685   13.679  3031.71  853.209  1036.74  1851.09  3569.87  961.426   50.365   22.427   86.052   14.259 -35.68734 26.57630 
1 1 1  -94   10   12 o   91.571   13.244  4043.84  956.152  2139.07  2103.59  4539.84  1073.45   55.155   24.264   96.003   14.199 -40.84753 28.11316 
1 1 1  -94   12    1 o  101.731   44.137  9012.71  6755.52   0.0000   0.0000  9012.71  6755.52  ?   ?   101.731   44.137 0.000000 44.13744 
1 1 1  -94   12    2 o   64.238   31.207 -2937.5349  5135.54   0.0000   0.0000 -2937.5349  5135.54  ?   ?    64.238   31.207 0.000000 31.20687 
1 1 1  -94   12    3 o   84.815   39.459  4347.57  6587.29   0.0000   0.0000  4347.57  6587.29  ?   ?    84.815   39.459 0.000000 39.45882 
1 1 1  -94   12    4 o   67.019   33.496 -6118.8862  7550.82   0.0000   0.0000 -6118.8862  7550.82  ?   ?    67.019   33.496 0.000000 33.49633 
1 1 1  -94   12    5 o   89.362   43.041  9405.64  9255.75   0.0000   0.0000  9405.64  9255.75  ?   ?    89.362   43.041 0.000000 43.04073 
1 1 1  -94   12    6 o   80.128   39.095  5385.38  8304.45   0.0000   0.0000  5385.38  8304.45  ?   ?    80.128   39.095 0.000000 39.09482 
1 1 1  -94   12    7 o   28.964   10.717  299.794  334.062   0.0000   0.0000  299.794  334.062  ?   ?    28.964   10.717 0.000000 10.71656 
1 1 1  -94   12    8 o  104.910   11.469  4871.75  961.036   0.0000   0.0000  4871.75  961.036  ?   ?   104.910   11.469 0.000000 11.46878 
1 1 1  -94   12    9 o   61.459   12.262  1739.07  590.461   0.0000   0.0000  1739.07  590.461  ?   ?    61.459   12.262 0.000000 12.26197 
1 1 1  -94   12   10 o   40.516   13.397  763.463  512.678   0.0000   0.0000  763.463  512.678  ?   ?    40.516   13.397 0.000000 13.39709 
1 1 1  -94   12   11 o   42.706   15.176  889.947  661.110   0.0000   0.0000  889.947  661.110  ?   ?    42.706   15.176 0.000000 15.17576 
1 1 1  -94   14    1 o   61.547   30.514 -5293.4639  5765.08   0.0000   0.0000 -5293.4639  5765.08  ?   ?    61.547   30.514 0.000000 30.51369 
1 1 1  -94   14    2 o   88.234   40.992  6804.79  7069.62   0.0000   0.0000  6804.79  7069.62  ?   ?    88.234   40.992 0.000000 40.99232 
1 1 1  -94   14    3 o   82.274   39.304  4947.69  7372.38   0.0000   0.0000  4947.69  7372.38  ?   ?    82.274   39.304 0.000000 39.30403 
1 1 1  -94   14    4 o   76.645   37.781  2480.50  8397.28   0.0000   0.0000  2480.50  8397.28  ?   ?    76.645   37.781 0.000000 37.78051 
1 1 1  -94   14    5 o   60.619   30.727 -9098.9033  7684.38   0.0000   0.0000 -9098.9033  7684.38  ?   ?    60.619   30.727 0.000000 30.72728 
1 1 1  -94   14    6 o   80.062   40.398 12689.86 12383.85   0.0000   0.0000 12689.86 12383.85  ?   ?    80.062   40.398 0.000000 40.39779 
1 1 1  -94   14    7 o   64.577   33.115 -6253.7480 11352.19   0.0000   0.0000 -6253.7480 11352.19  ?   ?    64.577   33.115 0.000000 33.11485 
1 1 1  -94   14    8 o   96.264   11.157  4131.79  855.878   0.0000   0.0000  4131.79  855.878  ?   ?    96.264   11.157 0.000000 11.15670 
1 1 1  -94   14    9 o   74.973   11.537  2565.04  679.828   0.0000   0.0000  2565.04  679.828  ?   ?    74.973   11.537 0.000000 11.53745 
1 1 1  -94   14   10 o   35.837   12.799  568.585  470.804   0.0000   0.0000  568.585  470.804  ?   ?    35.837   12.799 0.000000 12.79893 
1 1 1  -94   16    1 o   67.323   32.853 -644.5142  5872.01   0.0000   0.0000 -644.5142  5872.01  ?   ?    67.323   32.853 0.000000 32.85336 
1 1 1  -94   16    2 o   76.590   36.962  3828.30  6905.29   0.0000   0.0000  3828.30  6905.29  ?   ?    76.590   36.962 0.000000 36.96179 
1 1 1  -94   16    3 o   86.373   41.881 11619.33  9133.04   0.0000   0.0000 11619.33  9133.04  ?   ?    86.373   41.881 0.000000 41.88096 
1 1 1  -94   16    4 o   94.713   46.654 28685.18 12731.46   0.0000   0.0000 28685.18 12731.46  ?   ?    94.713   46.654 0.000000 46.65417 
1 1 1  -94   16    5 o   79.288   40.227 17297.28 13371.91   0.0000   0.0000 17297.28 13371.91  ?   ?    79.288   40.227 0.000000 40.22749 
1 1 1  -94   16    6 o   55.149   28.345 -15742.4297  9008.62   0.0000   0.0000 -15742.4297  9008.62  ?   ?    55.149   28.345 0.000000 28.34477 
1 1 1  -94   16    7 f   63.860   32.841  364.794 12515.34   0.0000   0.0000  364.794 12515.34  ?   ?    63.860   32.841 0.000000 32.84068 
1 1 1  -94   16    8 o   57.869   29.884 -7348.1211 12371.45   0.0000   0.0000 -7348.1211 12371.45  ?   ?    57.869   29.884 0.000000 29.88424 
1 1 1  -94   18    1 o   61.299   30.548 -2572.4331  6084.19   0.0000   0.0000 -2572.4331  6084.19  ?   ?    61.299   30.548 0.000000 30.54777 
1 1 1  -94   18    2 o   56.323   28.476 -6815.4292  6336.94   0.0000   0.0000 -6815.4292  6336.94  ?   ?    56.323   28.476 0.000000 28.47606 
1 1 1  -94   18    3 o   73.793   36.972  7766.71  9461.26   0.0000   0.0000  7766.71  9461.26  ?   ?    73.793   36.972 0.000000 36.97231 
1 1 1  -94   18    4 o   70.940   36.024  8014.91 10892.91   0.0000   0.0000  8014.91 10892.91  ?   ?    70.940   36.024 0.000000 36.02424 
1 1 1  -94   18    5 o   66.623   34.137  5566.07 11802.88   0.0000   0.0000  5566.07 11802.88  ?   ?    66.623   34.137 0.000000 34.13698 
1 1 1  -93    1    1 o   91.302   10.158  3505.26  740.270  3849.99  770.232 -668.9984  2680.23   95.766   10.055   57.582   26.188 38.18470 28.05225 
1 1 1  -93    1    2 o   81.309   7.0050  2735.29  457.956  2421.74  683.110  2991.24  617.192   75.242   11.550   84.521   9.1387 -9.279449 14.72844 
1 1 1  -93    1    3 o  169.639   9.6351 11995.23  1321.68 11175.40  1876.00 12803.17  1862.35  161.106   14.496  173.253   13.341 -12.14703 19.70104 
1 1 1  -93    1    4 o  100.261   8.4511  4187.61  681.580  3703.20  993.285  4618.66  936.975   92.363   13.656  104.351   11.236 -11.98859 17.68425 
1 1 1  -93    1    5 f  176.714   10.519 13128.24  1502.49 13329.03  2153.54 12937.81  2097.28  174.773   15.330  172.317   15.143 2.455444 21.54842 
1 1 1  -93    1    6 o   67.600   10.350  1957.44  550.006  1256.21  866.573  2430.47  711.737   53.355   17.407   74.823   12.130 -21.46833 21.21670 
1 1 1  -93    1    7 o   72.203   11.268  2255.43  639.009  1652.35  912.011  2837.00  895.602   59.790   17.602   79.786   14.352 -19.99546 22.71181 
1 1 1  -93    1    8 o  114.484   11.051  5619.29  1014.50  4530.92  1457.78  6641.42  1412.72   97.801   19.042  122.313   14.507 -24.51291 23.93910 
1 1 1  -93    1    9 o  115.050   11.397  5729.32  1050.64  5945.57  1548.41  5544.81  1430.26  112.803   17.470  109.561   16.597 3.242088 24.09740 
1 1 1  -93    1   10 o   38.445   15.013  499.125  678.021  1105.70  974.551 -69.9111  943.915   50.033   18.339   36.260   16.087 13.77317 24.39496 
1 1 1  -93    1   11 o  105.671   12.608  5014.52  1060.40  4793.21  1535.68  5216.20  1466.01   96.448   20.254  102.811   18.229 -6.362785 27.24922 
1 1 1  -93    1   12 o   59.620   17.826  1838.11  929.681  1891.01  1368.77  1792.81  1266.69   58.509   21.684   57.504   20.933 1.004772 30.13925 
1 1 1  -93    1   13 o   62.615   17.536  2093.78  927.063  1211.37  1376.29  2826.71  1254.31   49.666   20.658   69.571   20.684 -19.90539 29.23344 
1 1 1  -93    1   14 o   36.023   15.519  350.532  823.376  694.583  1287.14  112.226  1071.23   43.049   18.958   36.732   16.647 6.317337 25.22957 
1 1 1  -93    1   15 o   41.579   18.413  790.931  1230.83  3109.30  1796.04 -1262.0179  1690.11   58.662   23.914   34.757   17.097 23.90495 29.39731 
1 1 1  -93    3    1 o  101.910   10.542  4370.27  859.724  4057.33  888.558  8958.56  3402.40   97.867   11.395  131.108   32.196 -33.24071 34.15302 
1 1 1  -93    3    2 f  128.834   12.183  7040.45  1259.33  7306.79  1312.33  3941.18  4476.66  131.132   12.476   90.768   37.464 40.36357 39.48674 
1 1 1  -93    3    3 o  110.893   10.725  5184.63  953.592  1931.44  3151.29  5512.55  1000.50   74.442   31.136  114.300   10.913 -39.85781 32.99313 
1 1 1  -93    3    4 o  112.123   11.003  5319.22  988.848  883.434  3450.93  5716.01  1032.13   70.009   30.925  116.235   11.070 -46.22602 32.84658 
1 1 1  -93    3    5 o   48.848   10.415  1035.28  400.490   91.798  753.768  1406.38  472.736   35.288   15.016   57.082   10.589 -21.79398 18.37465 
1 1 1  -93    3    6 o   48.007   11.549  1012.82  444.693   80.973  776.156  1468.20  542.576   35.509   15.177   57.858   11.945 -22.34878 19.31401 
1 1 1  -93    3    7 o   74.659   10.630  2394.90  626.222  1177.06  1036.53  3094.92  785.855   52.744   18.975   84.560   11.764 -31.81596 22.32553 
1 1 1  -93    3    8 o  101.062   10.696  4377.15  864.372  3775.71  1391.14  4755.37  1103.17   88.396   19.866  103.901   13.388 -15.50526 23.95578 
1 1 1  -93    3    9 o   35.035   13.704  380.010  565.564  1437.91  972.968 -159.8432  695.048   55.410   18.462   30.744   13.713 24.66589 22.99771 
1 1 1  -93    3   10 f   41.410   14.927  710.020  641.846  692.169  992.698  722.843  841.372   44.770   17.947   43.584   16.807 1.186504 24.58800 
1 1 1  -93    3   11 o   35.674   14.548  349.699  664.916  1096.09  1026.65 -189.5910  872.670   49.344   18.677   33.506   15.120 15.83832 24.02976 
1 1 1  -93    3   12 o   33.834   14.703  116.731  752.042 -227.2346  1341.45  274.388  908.182   39.540   18.186   37.874   16.307 1.666439 24.42688 
1 1 1  -93    3   13 o   52.160   18.311  1469.33  959.894  1573.78  1664.23  1417.27  1175.05   53.158   22.452   51.210   19.829 1.947922 29.95488 
1 1 1  -93    3   14 o   76.636   18.044  3294.26  1104.21  5094.84  1789.31  2186.77  1403.30   84.590   24.585   56.813   21.756 27.77726 32.82896 
1 1 1  -93    3   15 o   44.931   18.088  1205.34  1012.89  1611.00  1897.59  1043.71  1197.81   47.566   21.786   43.369   18.701 4.197144 28.71157 
1 1 1  -93    5    1 o  181.328   14.869 14156.85  2169.90 12766.56  2412.20 20053.06  4967.60  170.132   17.722  197.777   32.029 -27.64525 36.60491 
1 1 1  -93    5    2 o   98.608   13.125  4183.51  1024.74  4247.02  1052.33  3019.88  4504.46   99.249   13.401   85.721   36.598 13.52779 38.97472 
1 1 1  -93    5    3 o   90.641   14.103  3582.38  1004.21  3515.41  1026.30  5087.62  4865.58   89.550   14.619   95.604   39.212 -6.054108 41.84835 
1 1 1  -93    5    4 o  132.607   10.432  7402.34  1114.13  3169.38  1734.83 10373.62  1453.47   80.472   24.417  156.527   11.517 -76.05509 26.99689 
1 1 1  -93    5    5 o   81.557   9.1730  2802.30  596.908  1381.44  1096.67  3400.42  711.538   56.422   19.585   89.665   9.9404 -33.24339 21.96342 
1 1 1  -93    5    6 o   83.869   11.121  3018.86  738.656  2913.32  4160.11  3022.29  750.583   80.020   34.677   83.840   11.315 -3.819687 36.47621 
1 1 1  -93    5    7 o   51.910   12.177  1196.48  504.375  3331.33  1052.15  559.511  574.715   85.729   15.693   38.585   14.092 47.14380 21.09185 
1 1 1  -93    5    8 o   66.456   12.327  1955.98  640.669  1863.88  1286.15  1986.37  738.862   62.241   21.226   66.176   14.178 -3.934551 25.52548 
1 1 1  -93    5    9 o   82.233   12.202  2987.26  790.036  3271.20  1521.16  2882.39  924.502   79.063   22.576   79.241   14.916 -0.1774902 27.05898 
1 1 1  -93    5   10 o   51.637   15.155  1253.75  676.990  1742.59  1310.61  1075.85  790.637   59.006   21.321   48.470   16.641 10.53568 27.04648 
1 1 1  -93    5   11 o   44.703   16.140  892.495  750.841  935.376  1354.93  873.491  902.004   49.391   20.516   45.423   17.431 3.967743 26.92145 
1 1 1  -93    5   12 o   26.379   12.593 -760.5714  754.167 -2846.7710  1269.16  378.171  937.671   27.144   13.591   39.146   16.705 -12.00173 21.53593 
1 1 1  -93    5   13 o   82.356   17.026  3545.26  1100.91  4023.19  1814.94  3267.05  1384.75   75.251   25.217   72.859   21.749 2.392303 33.30070 
1 1 1  -93    5   14 o   85.494   17.623  4050.99  1182.68  4740.48  1981.21  3669.27  1474.16   75.062   26.309   73.064   22.572 1.997406 34.66471 
1 1 1  -93    7    1 o  167.630   43.540 17613.06  5979.33   0.0000   0.0000 17613.06  5979.33  ?   ?   167.630   43.540 0.000000 43.53986 
1 1 1  -93    7    2 f  122.102   45.234 10579.64  5955.47   0.0000   0.0000 10579.64  5955.47  ?   ?   122.102   45.234 0.000000 45.23392 
1 1 1  -93    7    3 o   70.120   32.242 -127.3091  4211.73   0.0000   0.0000 -127.3091  4211.73  ?   ?    70.120   32.242 0.000000 32.24156 
1 1 1  -93    7    4 o  ?   ?  -15220.7598  2557.47   0.0000   0.0000 -15220.7598  2557.47  ?   ?   ?   ?  0.000000      ? 
1 1 1  -93    7    5 o   46.163   9.9846  925.382  363.363  521.983  751.159  1048.61  415.170   40.704   15.828   49.021   10.728 -8.316986 19.12158 
1 1 1  -93    7    6 o  112.401   10.163  5356.05  917.510  2161.42  1582.45  6973.86  1126.11   67.170   23.514  127.953   10.944 -60.78244 25.93663 
1 1 1  -93    7    7 o   57.944   12.286  1491.35  560.088 -1087.0699  4968.29  1524.54  563.681   66.944   32.057   58.616   12.239 8.328491 34.31421 
1 1 1  -93    7    8 o  117.440   10.755  5926.57  1014.16  3432.37  1779.16  7127.09  1234.33   79.879   24.817  128.017   12.015 -48.13799 27.57267 
1 1 1  -93    7    9 o   48.209   12.602  1055.36  498.829   3.7448  1110.91  1320.94  558.275   39.624   17.522   53.838   12.933 -14.21416 21.77826 
1 1 1  -93    7   10 o   76.751   12.635  2661.99  760.005  2450.11  1434.44  2744.68  896.121   67.059   22.419   76.467   14.969 -9.407715 26.95656 
1 1 1  -93    7   11 o   50.269   15.371  1224.29  685.639  147.728  1323.80  1618.96  801.523   42.218   18.870   57.025   16.420 -14.80662 25.01429 
1 1 1  -93    7   12 o   20.343   9.7735 -591.1555  470.272 -1491.3409  1059.83 -370.4637  524.761   28.305   13.844   23.750   11.079 4.554443 17.73082 
1 1 1  -93    7   13 o   49.089   17.707  1304.36  903.370  632.020  1438.98  1741.70  1160.57   44.150   19.708   54.163   19.988 -10.01282 28.06988 
1 1 1  -93    7   14 o   43.421   17.364  999.724  926.703  2266.77  1476.92  176.961  1190.14   55.517   22.011   37.567   17.224 17.95065 27.94854 
1 1 1  -93    9    1 o   48.971   23.831 -3841.5071  3029.23   0.0000   0.0000 -3841.5071  3029.23  ?   ?    48.971   23.831 0.000000 23.83122 
1 1 1  -93    9    2 o   77.469   35.754  691.072  5247.71   0.0000   0.0000  691.072  5247.71  ?   ?    77.469   35.754 0.000000 35.75359 
1 1 1  -93    9    3 o  155.272   53.032 21198.11  8028.38   0.0000   0.0000 21198.11  8028.38  ?   ?   155.272   53.032 0.000000 53.03174 
1 1 1  -93    9    4 o   77.133   36.970 -675.4313  6641.53   0.0000   0.0000 -675.4313  6641.53  ?   ?    77.133   36.970 0.000000 36.97034 
1 1 1  -93    9    5 o   78.777   37.795  385.713  6979.38   0.0000   0.0000  385.713  6979.38  ?   ?    78.777   37.795 0.000000 37.79545 
1 1 1  -93    9    6 o   66.002   10.689  1886.81  553.242   0.0000   0.0000  1886.81  553.242  ?   ?    66.002   10.689 0.000000 10.68876 
1 1 1  -93    9    7 f   92.728   9.4393  3656.43  700.797  3415.07  1394.83  3737.93  810.525   82.939   20.761   93.067   10.934 -10.12778 23.46398 
1 1 1  -93    9    8 o   69.987   10.590  2134.19  582.968  144.240  1378.46  2567.62  643.332   44.526   19.613   76.884   10.586 -32.35827 22.28755 
1 1 1  -93    9    9 o   91.161   10.596  3619.53  769.672  2218.25  1667.44  3998.93  867.633   64.406   23.920   95.358   11.434 -30.95231 26.51222 
1 1 1  -93    9   10 o   35.822   12.788  527.605  469.948 -459.7296  1294.17  677.572  504.378   38.136   17.655   39.260   13.293 -1.124676 22.09957 
1 1 1  -93    9   11 o   43.951   14.872  908.114  631.325  317.350  1366.62  1068.39  711.834   43.395   19.300   46.992   15.792 -3.597736 24.93774 
1 1 1  -93    9   12 o   58.558   16.065  1773.98  786.876  4275.53  1756.69  1146.09  880.107   79.971   24.629   47.474   17.423 32.49704 30.16910 
1 1 1  -93    9   13 o   27.613   12.784 -281.4149  678.844  1212.70  1525.85 -650.1283  757.991   47.868   20.871   26.473   12.635 21.39513 24.39705 
1 1 1  -93   11    1 o  118.499   46.627 11569.38  6581.19   0.0000   0.0000 11569.38  6581.19  ?   ?   118.499   46.627 0.000000 46.62660 
1 1 1  -93   11    2 f   83.366   38.456  2445.58  6059.27   0.0000   0.0000  2445.58  6059.27  ?   ?    83.366   38.456 0.000000 38.45567 
1 1 1  -93   11    3 o   74.889   35.158  402.175  5428.29   0.0000   0.0000  402.175  5428.29  ?   ?    74.889   35.158 0.000000 35.15799 
1 1 1  -93   11    4 o  101.481   46.661 10615.27  8820.83   0.0000   0.0000 10615.27  8820.83  ?   ?   101.481   46.661 0.000000 46.66055 
1 1 1  -93   11    5 o   82.505   39.332  3108.75  7302.29   0.0000   0.0000  3108.75  7302.29  ?   ?    82.505   39.332 0.000000 39.33183 
1 1 1  -93   11    6 o   78.059   39.053 -632.6732 10377.88   0.0000   0.0000 -632.6732 10377.88  ?   ?    78.059   39.053 0.000000 39.05272 
1 1 1  -93   11    7 o  141.607   12.918  8839.94  1468.93   0.0000   0.0000  8839.94  1468.93  ?   ?   141.607   12.918 0.000000 12.91768 
1 1 1  -93   11    8 f   64.325   11.196  1833.33  563.537 -2358.1509  1502.33  2519.68  607.928   33.035   16.224   76.191   10.074 -43.15681 19.09679 
1 1 1  -93   11    9 f   32.176   11.948  384.634  415.985 -1204.2531  1511.76  514.794  432.688   37.337   17.826   35.206   12.297 2.131023 21.65622 
1 1 1  -93   11   10 o   35.832   12.755  539.198  467.180  1315.42  1452.66  449.654  493.392   52.713   21.500   34.366   12.962 18.34605 25.10518 
1 1 1  -93   11   11 o   17.644   8.7344 -978.5100  465.906 -793.6481  1386.66 -1002.0350  494.664   36.323   17.266   18.343   9.0656 17.98027 19.50133 
1 1 1  -93   11   12 o   55.527   14.646  1569.66  669.866 -533.5326  1884.87  1873.70  716.651   41.200   19.734   60.800   14.682 -19.60048 24.59646 
1 1 1  -93   11   13 o   39.539   15.914  727.548  783.876  216.387  1963.59  824.453  854.956   42.830   20.412   41.121   16.595 1.709064 26.30658 
1 1 1  -93   13    1 o   87.019   38.932  4456.17  5649.07   0.0000   0.0000  4456.17  5649.07  ?   ?    87.019   38.932 0.000000 38.93191 
1 1 1  -93   13    2 o   71.914   34.760 -1387.5640  6166.98   0.0000   0.0000 -1387.5640  6166.98  ?   ?    71.914   34.760 0.000000 34.75963 
1 1 1  -93   13    3 o   93.053   42.482  7309.23  7138.73   0.0000   0.0000  7309.23  7138.73  ?   ?    93.053   42.482 0.000000 42.48201 
1 1 1  -93   13    4 f   67.705   33.479 -3896.1580  6775.65   0.0000   0.0000 -3896.1580  6775.65  ?   ?    67.705   33.479 0.000000 33.47916 
1 1 1  -93   13    5 o   92.908   45.309 13221.45 11117.20   0.0000   0.0000 13221.45 11117.20  ?   ?    92.908   45.309 0.000000 45.30912 
1 1 1  -93   13    6 o   89.066   44.533 16774.99 13407.21   0.0000   0.0000 16774.99 13407.21  ?   ?    89.066   44.533 0.000000 44.53344 
1 1 1  -93   13    7 o   65.908   33.572 -7502.6748 10011.58   0.0000   0.0000 -7502.6748 10011.58  ?   ?    65.908   33.572 0.000000 33.57241 
1 1 1  -93   13    8 o   73.984   11.652  2448.11  676.787   0.0000   0.0000  2448.11  676.787  ?   ?    73.984   11.652 0.000000 11.65152 
1 1 1  -93   13    9 f   48.979   13.383  1132.89  547.364   0.0000   0.0000  1132.89  547.364  ?   ?    48.979   13.383 0.000000 13.38302 
1 1 1  -93   13   10 o  108.725   13.195  5514.32  1141.02   0.0000   0.0000  5514.32  1141.02  ?   ?   108.725   13.195 0.000000 13.19522 
1 1 1  -93   13   11 o   55.502   14.045  1532.30  633.481   0.0000   0.0000  1532.30  633.481  ?   ?    55.502   14.045 0.000000 14.04509 
1 1 1  -93   13   12 o   35.799   14.496  503.920  654.713   0.0000   0.0000  503.920  654.713  ?   ?    35.799   14.496 0.000000 14.49607 
1 1 1  -93   15    1 o   69.099   33.391 -954.2418  5681.56   0.0000   0.0000 -954.2418  5681.56  ?   ?    69.099   33.391 0.000000 33.39062 
1 1 1  -93   15    2 o   86.890   40.386  6215.58  6874.27   0.0000   0.0000  6215.58  6874.27  ?   ?    86.890   40.386 0.000000 40.38595 
1 1 1  -93   15    3 o   89.355   42.165  8514.03  7987.30   0.0000   0.0000  8514.03  7987.30  ?   ?    89.355   42.165 0.000000 42.16529 
1 1 1  -93   15    4 f   73.318   36.356  159.418  8197.11   0.0000   0.0000  159.418  8197.11  ?   ?    73.318   36.356 0.000000 36.35600 
1 1 1  -93   15    5 o   71.315   35.756 -604.7757  8925.68   0.0000   0.0000 -604.7757  8925.68  ?   ?    71.315   35.756 0.000000 35.75645 
1 1 1  -93   15    6 f   58.788   30.132 -15163.3604  9281.04   0.0000   0.0000 -15163.3604  9281.04  ?   ?    58.788   30.132 0.000000 30.13185 
1 1 1  -93   15    7 o   61.282   31.393 -9360.6670  9926.29   0.0000   0.0000 -9360.6670  9926.29  ?   ?    61.282   31.393 0.000000 31.39339 
1 1 1  -93   15    8 o   37.791   11.891  643.367  406.985   0.0000   0.0000  643.367  406.985  ?   ?    37.791   11.891 0.000000 11.89056 
1 1 1  -93   15    9 o   31.587   11.546  397.506  385.899   0.0000   0.0000  397.506  385.899  ?   ?    31.587   11.546 0.000000 11.54567 
1 1 1  -93   15   10 o   35.670   13.256  542.294  512.237   0.0000   0.0000  542.294  512.237  ?   ?    35.670   13.256 0.000000 13.25579 
1 1 1  -93   17    1 o   81.995   38.695  5998.87  6729.24   0.0000   0.0000  5998.87  6729.24  ?   ?    81.995   38.695 0.000000 38.69526 
1 1 1  -93   17    2 o   61.406   30.605 -4262.0469  6115.96   0.0000   0.0000 -4262.0469  6115.96  ?   ?    61.406   30.605 0.000000 30.60549 
1 1 1  -93   17    3 o   55.347   28.021 -9219.8652  6265.67   0.0000   0.0000 -9219.8652  6265.67  ?   ?    55.347   28.021 0.000000 28.02107 
1 1 1  -93   17    4 o   80.362   40.088 11145.78 10588.78   0.0000   0.0000 11145.78 10588.78  ?   ?    80.362   40.088 0.000000 40.08773 
1 1 1  -93   17    5 o   76.428   38.606 11188.67 11493.64   0.0000   0.0000 11188.67 11493.64  ?   ?    76.428   38.606 0.000000 38.60641 
1 1 1  -93   17    6 o   72.802   37.167 12604.35 12845.88   0.0000   0.0000 12604.35 12845.88  ?   ?    72.802   37.167 0.000000 37.16703 
1 1 1  -93   17    7 o   63.677   32.766  534.499 12724.75   0.0000   0.0000  534.499 12724.75  ?   ?    63.677   32.766 0.000000 32.76582 
1 1 1  -93   17    8 o   62.697   32.382  8455.90 14628.99   0.0000   0.0000  8455.90 14628.99  ?   ?    62.697   32.382 0.000000 32.38187 
1 1 1  -93   19    2 o   64.593   32.439 -1135.1290  7495.09   0.0000   0.0000 -1135.1290  7495.09  ?   ?    64.593   32.439 0.000000 32.43861 
1 1 1  -93   19    3 o   74.553   37.433  9754.04  9955.17   0.0000   0.0000  9754.04  9955.17  ?   ?    74.553   37.433 0.000000 37.43286 
1 1 1  -93   19    4 o   67.889   34.591  4499.13 10689.27   0.0000   0.0000  4499.13 10689.27  ?   ?    67.889   34.591 0.000000 34.59140 
1 1 1  -93   19    5 o   61.825   31.759 -2594.6331 11038.81   0.0000   0.0000 -2594.6331 11038.81  ?   ?    61.825   31.759 0.000000 31.75879 
1 1 1  -92    0    1 o   45.009   11.568  980.358  365.400   0.0000   0.0000  980.358  365.400   45.009   11.568   45.009   11.568 -0.000000 0.000000 
1 1 1  -92    0    2 o   55.594   11.872  1432.19  470.797   0.0000   0.0000  1432.19  470.797   55.594   11.872   55.594   11.872 -0.000000 0.000000 
1 1 1  -92    0    3 o   44.858   14.280  1048.92  458.025   0.0000   0.0000  1048.92  458.025   44.858   14.280   44.858   14.280 -0.000000 0.000000 
1 1 1  -92    0    4 o  156.840   13.627 10458.62  1705.23 10458.62  1705.23   0.0000   0.0000  156.840   13.627  156.840   13.627 0.000000 0.000000 
1 1 1  -92    0    5 o  244.956   21.267 26401.18  4156.50   0.0000   0.0000 26401.18  4156.50  244.956   21.267  244.956   21.267 -0.000000 0.000000 
1 1 1  -92    0    6 o  103.851   14.816  4761.29  1175.74  4761.29  1175.74   0.0000   0.0000  103.851   14.816  103.851   14.816 0.000000 0.000000 
1 1 1  -92    0    7 o   37.084   19.436  863.256  771.357  863.256  771.357   0.0000   0.0000   37.084   19.436   37.084   19.436 0.000000 0.000000 
1 1 1  -92    0    8 o  155.364   16.418 10520.86  2018.18   0.0000   0.0000 10520.86  2018.18  155.364   16.418  155.364   16.418 -0.000000 0.000000 
1 1 1  -92    0    9 f  196.108   18.628 16910.07  2904.79 16910.07  2904.79   0.0000   0.0000  196.108   18.628  196.108   18.628 0.000000 0.000000 
1 1 1  -92    0   10 o   19.842   13.693 -518.5817  739.421 -518.5817  739.421   0.0000   0.0000   19.842   13.693   19.842   13.693 0.000000 0.000000 
1 1 1  -92    0   11 o   71.700   23.155  2824.38  1190.89  2824.38  1190.89   0.0000   0.0000   71.700   23.155   71.700   23.155 0.000000 0.000000 
1 1 1  -92    0   12 o   57.586   26.133  2195.69  1320.19   0.0000   0.0000  2195.69  1320.19   57.586   26.133   57.586   26.133 -0.000000 0.000000 
1 1 1  -92    0   13 o   50.861   25.158  1790.81  1249.12   0.0000   0.0000  1790.81  1249.12   50.861   25.158   50.861   25.158 -0.000000 0.000000 
1 1 1  -92    0   14 o   55.812   29.085  2374.60  1719.77   0.0000   0.0000  2374.60  1719.77   55.812   29.085   55.812   29.085 -0.000000 0.000000 
1 1 1  -92    0   15 o   44.410   27.616  1355.68  2006.57   0.0000   0.0000  1355.68  2006.57   44.410   27.616   44.410   27.616 -0.000000 0.000000 
1 1 1  -92    2    1 f   55.271   22.217  867.169  1525.72 -49.1522  2042.80  2023.15  2294.44   54.219   23.880   71.630   27.717 -17.41079 36.58494 
1 1 1  -92    2    2 o   78.146   28.034  2799.21  2261.18  2799.21  2261.18   0.0000   0.0000   78.146   28.034  ?   ?  0.000000 28.03437 
1 1 1  -92    2    3 o  117.780   8.1789  5748.53  777.324  5986.12  1148.23  5547.52  1056.14  118.817   12.069  114.564   11.509 4.253593 16.67729 
1 1 1  -92    2    4 o   42.609   9.9540  784.906  338.165  1075.04  587.865  641.421  413.413   49.513   13.999   38.931   11.941 10.58215 18.40001 
1 1 1  -92    2    5 o  123.993   9.3481  6424.91  934.220  6056.09  1401.10  6720.14  1253.55  117.788   14.989  125.466   12.470 -7.677971 19.49833 
1 1 1  -92    2    6 o  146.926   9.9077  9058.50  1175.08  8717.14  1728.46  9351.85  1602.33  140.994   15.346  147.259   13.553 -6.265396 20.47386 
1 1 1  -92    2    7 f   62.931   11.427  1722.29  562.386  798.511  915.741  2281.68  712.600   46.688   17.647   72.202   12.614 -25.51444 21.69170 
1 1 1  -92    2    8 o   57.610   12.665  1475.89  576.304  1483.72  931.601  1471.04  733.498   56.836   18.002   56.747   15.487 0.8976746E-01 23.74711 
1 1 1  -92    2    9 o   60.144   14.164  1647.03  680.276  1439.12  1049.70  1797.57  893.238   55.946   19.176   61.751   17.185 -5.805012 25.74928 
1 1 1  -92    2   10 o   34.498   14.083  282.082  623.934  219.918  983.957  323.887  806.903   39.812   17.054   38.190   15.846 1.622120 23.27937 
1 1 1  -92    2   11 o   45.295   15.648  917.937  699.693  426.506  1065.36  1290.69  927.856   42.458   17.950   52.163   18.020 -9.704933 25.43464 
1 1 1  -92    2   12 o   38.831   15.467  523.831  732.388  204.616  1113.35  767.341  972.404   40.294   17.691   44.451   17.783 -4.157120 25.08381 
1 1 1  -92    2   13 o   58.669   17.440  1808.90  891.774  1834.54  1358.62  1789.49  1182.05   56.699   21.479   56.616   20.274 0.8340454E-01 29.53623 
1 1 1  -92    2   14 o   51.261   17.901  1454.37  916.801  2089.95  1517.61  1089.12  1150.46   56.478   22.337   46.587   19.083 9.891533 29.37830 
1 1 1  -92    2   15 o   47.535   18.569  1352.98  1037.47  1855.69  1879.77  1132.78  1244.12   50.460   22.525   45.186   19.262 5.273129 29.63769 
1 1 1  -92    4    1 o   52.601   12.678  1208.67  535.134  1196.74  545.634  1509.66  2740.92   52.308   12.922   70.470   29.219 -18.16121 31.94871 
1 1 1  -92    4    2 o   82.958   12.304  2948.72  803.683  3203.20  818.338 -3966.7339  4265.90   86.652   11.949   60.670   29.221 25.98130 31.56981 
1 1 1  -92    4    3 o   51.579   14.300  1170.21  619.709  1125.41  627.070  3045.44  4056.59   50.660   14.505   84.987   35.418 -34.32681 38.27279 
1 1 1  -92    4    4 o  129.056   9.9122  6973.66  1030.76  3966.62  1586.81  9168.73  1355.75   91.793   21.643  147.380   11.418 -55.58740 24.47009 
1 1 1  -92    4    5 o  102.043   11.276  4426.02  918.689 -1071.6260  4028.46  4727.62  943.552   65.837   30.706  105.536   11.181 -39.69890 32.67821 
1 1 1  -92    4    6 o   21.640   9.4223 -43.7664  310.047 -653.5753  681.529  115.376  348.161   26.430   12.424   25.756   10.518 0.6744614 16.27819 
1 1 1  -92    4    7 o   30.055   11.576  270.054  398.755 -1562.3350  832.747  815.200  454.214   24.650   12.100   43.123   12.345 -18.47272 17.28612 
1 1 1  -92    4    8 o   67.147   11.015  1957.10  579.729  1556.61  1100.06  2111.10  682.140   58.169   19.632   69.151   12.614 -10.98240 23.33459 
1 1 1  -92    4    9 o  101.533   11.511  4469.28  932.194  2300.50  1540.90  5721.21  1170.73   67.489   23.227  114.161   12.854 -46.67168 26.54664 
1 1 1  -92    4   10 o   74.285   13.778  2507.90  800.438  2714.17  1391.85  2405.97  978.424   72.171   21.864   70.752   17.199 1.419052 27.81816 
1 1 1  -92    4   11 o   23.932   11.481 -793.9971  643.781  1257.71  1208.01 -1607.8409  760.824   52.539   20.170   22.393   11.099 30.14614 23.02191 
1 1 1  -92    4   12 o   35.771   15.270  229.079  783.974 -196.1722  1225.59  523.592  1019.94   38.559   17.603   42.045   17.657 -3.485600 24.93307 
1 1 1  -92    4   13 o   40.633   16.362  643.401  829.067  603.707  1371.00  666.285  1040.97   44.827   19.657   42.749   17.889 2.078285 26.57863 
1 1 1  -92    4   14 o   55.832   18.914  1823.95  1021.16  951.498  1749.45  2274.83  1257.64   47.350   21.384   59.875   20.963 -12.52452 29.94479 
1 1 1  -92    4   15 o   28.860   13.665 -464.2131  851.877 -1973.9330  1589.11  144.596  1009.13   31.913   15.855   35.273   16.052 -3.360062 22.56266 
1 1 1  -92    6    1 o  135.748   39.904 10817.14  4690.08   0.0000   0.0000 10817.14  4690.08  ?   ?   135.748   39.904 0.000000 39.90362 
1 1 1  -92    6    2 o   79.099   34.717  1624.88  4284.74   0.0000   0.0000  1624.88  4284.74  ?   ?    79.099   34.717 0.000000 34.71699 
1 1 1  -92    6    3 o   55.170   16.407  1348.99  789.103  1234.43  800.658  5232.51  4661.60   53.153   16.670   97.083   38.901 -43.92949 42.32265 
1 1 1  -92    6    4 o   61.030   15.954  1675.95  799.481  1763.86  807.447 -2713.7939  5705.70   62.613   15.863   71.521   34.277 -8.907448 37.76966 
1 1 1  -92    6    5 o  148.740   11.039  9350.61  1323.68  5341.49  2063.03 12156.00  1725.75  103.970   24.787  168.654   12.695 -64.68398 27.84925 
1 1 1  -92    6    6 o   54.175   10.735  1274.86  455.504  1362.43  1037.34  1253.94  506.998   55.713   19.062   53.378   11.991 2.335354 22.52007 
1 1 1  -92    6    7 o   81.462   10.113  2829.52  654.555  1376.05  1255.04  3372.59  767.153   56.700   20.807   88.720   10.877 -32.01982 23.47842 
1 1 1  -92    6    8 o   75.709   11.083  2483.67  661.138  2183.71  1291.14  2590.27  769.705   66.796   21.197   76.566   12.835 -9.769707 24.78025 
1 1 1  -92    6    9 o   73.964   12.088  2415.83  700.901  2664.59  1361.63  2326.16  817.529   72.361   21.560   71.302   14.612 1.058853 26.04467 
1 1 1  -92    6   10 o   29.414   12.581   61.838  533.948  1910.95  1072.08 -548.1492  615.751   61.903   19.270   25.124   11.810 36.77945 22.60057 
1 1 1  -92    6   11 o   20.696   10.094 -913.9756  552.499  1366.28  1242.86 -1475.5670  616.794   53.604   20.487   19.486   9.7131 34.11774 22.67294 
1 1 1  -92    6   12 o   33.692   14.749   74.308  768.808  843.046  1290.96 -348.1656  957.025   47.234   19.852   33.265   15.323 13.96880 25.07795 
1 1 1  -92    6   13 o   38.727   15.537  577.461  744.613  1286.13  1300.88  232.141  908.086   50.023   20.368   36.719   16.053 13.30392 25.93356 
1 1 1  -92    6   14 o   30.387   14.118 -297.3455  838.719  1109.68  1437.62 -1023.3610  1032.68   46.809   20.335   29.195   14.139 17.61420 24.76714 
1 1 1  -92    6   15 o   17.637   8.9314 -1934.6130  638.830 -1356.1899  1281.18 -2126.0120  736.983   30.279   14.893   19.082   9.6549 11.19712 17.74842 
1 1 1  -92    8    1 o  112.281   41.032  7808.18  4873.48   0.0000   0.0000  7808.18  4873.48  ?   ?   112.281   41.032 0.000000 41.03165 
1 1 1  -92    8    2 f  221.157   53.131 35051.76  9421.60   0.0000   0.0000 35051.76  9421.60  ?   ?   221.157   53.131 0.000000 53.13086 
1 1 1  -92    8    3 o  129.218   48.512 13039.13  6894.91   0.0000   0.0000 13039.13  6894.91  ?   ?   129.218   48.512 0.000000 48.51212 
1 1 1  -92    8    4 o  102.511   44.844  7390.00  7096.88   0.0000   0.0000  7390.00  7096.88  ?   ?   102.511   44.844 0.000000 44.84387 
1 1 1  -92    8    5 o   56.545   28.057 -7232.6748  4913.08   0.0000   0.0000 -7232.6748  4913.08  ?   ?    56.545   28.057 0.000000 28.05707 
1 1 1  -92    8    6 o   31.977   10.555  415.768  318.257  487.206  721.775  398.526  354.589   39.666   15.490   32.059   11.136 7.606934 19.07779 
1 1 1  -92    8    7 o   20.370   9.1137 -118.8607  309.593 -466.8381  697.729 -33.5541  345.464   28.169   13.013   22.964   9.9722 5.204538 16.39485 
1 1 1  -92    8    8 o  100.546   12.057  4407.96  964.694   0.0000   0.0000  4407.96  964.694  ?   ?   100.546   12.057 0.000000 12.05695 
1 1 1  -92    8    9 f   76.565   11.643  2581.34  700.996  560.571  1353.40  3322.22  819.485   47.585   20.181   86.871   11.933 -39.28595 23.44476 
1 1 1  -92    8   10 o   59.083   13.774  1619.86  648.605  1258.65  1302.57  1738.95  747.923   53.207   20.801   60.529   15.230 -7.322422 25.78055 
1 1 1  -92    8   11 o   94.736   12.171  4043.29  914.605  2627.87  1742.82  4581.25  1074.44   66.434   24.498   99.725   13.626 -33.29092 28.03209 
1 1 1  -92    8   12 o   62.356   16.134  1965.37  823.118  4157.73  1571.69  1136.79  966.223   84.022   22.561   48.262   18.152 35.76077 28.95722 
1 1 1  -92    8   13 o   38.508   15.274  606.363  711.581  884.605  1438.99  516.301  818.683   46.344   20.235   38.371   15.944 7.973278 25.76197 
1 1 1  -92    8   14 o   37.559   16.235  460.768  907.153  750.341  1609.82  326.032  1098.10   44.166   20.167   38.094   17.095 6.071800 26.43798 
1 1 1  -92   10    1 o  141.283   45.928 14027.42  6034.71   0.0000   0.0000 14027.42  6034.71  ?   ?   141.283   45.928 0.000000 45.92767 
1 1 1  -92   10    2 f  141.852   48.757 15554.94  6788.63   0.0000   0.0000 15554.94  6788.63  ?   ?   141.852   48.757 0.000000 48.75715 
1 1 1  -92   10    3 o  108.460   45.770  9166.97  6906.74   0.0000   0.0000  9166.97  6906.74  ?   ?   108.460   45.770 0.000000 45.77012 
1 1 1  -92   10    4 o   66.630   32.747 -5373.0649  6157.20   0.0000   0.0000 -5373.0649  6157.20  ?   ?    66.630   32.747 0.000000 32.74749 
1 1 1  -92   10    5 o  111.123   50.546 14836.48  9989.31   0.0000   0.0000 14836.48  9989.31  ?   ?   111.123   50.546 0.000000 50.54580 
1 1 1  -92   10    6 o  103.424   48.286 13388.33 10002.87   0.0000   0.0000 13388.33 10002.87  ?   ?   103.424   48.286 0.000000 48.28586 
1 1 1  -92   10    7 o  148.405   12.976  9625.11  1547.94  4323.08  2622.44 12460.25  1917.66   85.458   30.240  167.820   14.206 -82.36263 33.41100 
1 1 1  -92   10    8 o  153.956   12.408 10367.23  1537.87  5568.12  2634.67 12847.38  1894.02   94.889   30.298  170.017   13.840 -75.12806 33.30922 
1 1 1  -92   10    9 o   70.693   11.099  2202.95  616.126  1082.55  1487.54  2434.97  676.920   52.875   21.683   74.118   11.631 -21.24374 24.60561 
1 1 1  -92   10   10 o   27.569   11.411  141.003  416.962 -2123.0339  1335.63  385.477  438.897   30.983   15.232   32.543   12.235 -1.560190 19.53795 
1 1 1  -92   10   11 o   35.506   13.946  443.366  587.758 -2176.5439  1430.15  975.803  644.722   31.750   15.639   45.347   15.025 -13.59772 21.68696 
1 1 1  -92   10   12 o   40.334   15.326  713.028  692.963  841.821  1617.06  684.056  766.954   47.817   21.143   40.475   15.920 7.341908 26.46682 
1 1 1  -92   10   13 o   34.557   14.848  293.179  749.947 -1737.5720  1746.17  752.476  830.435   35.324   17.376   40.904   16.409 -5.580101 23.89963 
1 1 1  -92   12    1 o  102.699   42.085  7354.72  5598.51   0.0000   0.0000  7354.72  5598.51  ?   ?   102.699   42.085 0.000000 42.08468 
1 1 1  -92   12    2 o   78.758   35.930  1706.21  5094.52   0.0000   0.0000  1706.21  5094.52  ?   ?    78.758   35.930 0.000000 35.92964 
1 1 1  -92   12    3 o   79.559   36.969  1614.95  5754.34   0.0000   0.0000  1614.95  5754.34  ?   ?    79.559   36.969 0.000000 36.96914 
1 1 1  -92   12    4 o  104.565   47.826 11864.41  9101.59   0.0000   0.0000 11864.41  9101.59  ?   ?   104.565   47.826 0.000000 47.82650 
1 1 1  -92   12    5 o   87.867   42.042  5219.79  8505.65   0.0000   0.0000  5219.79  8505.65  ?   ?    87.867   42.042 0.000000 42.04213 
1 1 1  -92   12    6 o   83.449   40.998  4070.41  9621.32   0.0000   0.0000  4070.41  9621.32  ?   ?    83.449   40.998 0.000000 40.99792 
1 1 1  -92   12    7 o  152.509   13.457 10299.62  1649.30   0.0000   0.0000 10299.62  1649.30  ?   ?   152.509   13.457 0.000000 13.45677 
1 1 1  -92   12    8 o  100.397   11.328  4411.10  907.338 -1211.8210  2261.61  5489.75  990.550   46.499   22.088  112.329   11.002 -65.82981 24.67619 
1 1 1  -92   12    9 o  107.623   11.836  5142.13  1017.19  513.054  2317.65  6246.53  1132.05   53.545   24.352  118.644   11.912 -65.09906 27.10961 
1 1 1  -92   12   10 o  126.707   12.212  7237.97  1240.83  4750.80  2748.35  7874.73  1390.62   78.015   30.293  131.074   13.248 -53.05869 33.06367 
1 1 1  -92   12   11 o   65.925   12.889  2048.35  665.203  1957.53  1998.44  2059.67  705.429   57.328   24.424   65.536   13.698 -8.208416 28.00304 
1 1 1  -92   12   12 f   28.508   12.652 -15.0604  584.254 -3341.1699  1872.45  343.703  614.957   32.692   16.389   33.578   13.874 -0.8860092 21.47354 
1 1 1  -92   12   13 o   20.546   9.8863 -571.5162  485.561 -4680.0459  1977.66 -307.9591  500.893   30.208   15.341   23.172   10.814 7.036491 18.76937 
1 1 1  -92   14    1 o   94.746   40.628  6445.39  5594.78   0.0000   0.0000  6445.39  5594.78  ?   ?    94.746   40.628 0.000000 40.62830 
1 1 1  -92   14    2 o   84.210   39.444  3396.56  6766.15   0.0000   0.0000  3396.56  6766.15  ?   ?    84.210   39.444 0.000000 39.44368 
1 1 1  -92   14    3 o   91.525   42.081  6710.84  7173.52   0.0000   0.0000  6710.84  7173.52  ?   ?    91.525   42.081 0.000000 42.08121 
1 1 1  -92   14    4 o   68.959   34.079 -3558.8831  6984.45   0.0000   0.0000 -3558.8831  6984.45  ?   ?    68.959   34.079 0.000000 34.07883 
1 1 1  -92   14    5 o   83.455   40.809  5279.59  9196.73   0.0000   0.0000  5279.59  9196.73  ?   ?    83.455   40.809 0.000000 40.80906 
1 1 1  -92   14    6 o   86.114   42.738 11094.97 11422.89   0.0000   0.0000 11094.97 11422.89  ?   ?    86.114   42.738 0.000000 42.73765 
1 1 1  -92   14    7 o   59.949   30.812 -19996.4004 10572.37   0.0000   0.0000 -19996.4004 10572.37  ?   ?    59.949   30.812 0.000000 30.81224 
1 1 1  -92   14    8 o   82.697   42.124 28233.69 15756.89   0.0000   0.0000 28233.69 15756.89  ?   ?    82.697   42.124 0.000000 42.12383 
1 1 1  -92   14    9 o   86.822   11.215  3364.98  772.118   0.0000   0.0000  3364.98  772.118  ?   ?    86.822   11.215 0.000000 11.21469 
1 1 1  -92   14   10 o   70.966   12.202  2328.97  677.743   0.0000   0.0000  2328.97  677.743  ?   ?    70.966   12.202 0.000000 12.20170 
1 1 1  -92   14   11 o   66.617   13.288  2143.70  693.553   0.0000   0.0000  2143.70  693.553  ?   ?    66.617   13.288 0.000000 13.28796 
1 1 1  -92   14   12 o   32.658   13.702  311.609  613.137   0.0000   0.0000  311.609  613.137  ?   ?    32.658   13.702 0.000000 13.70160 
1 1 1  -92   16    1 o   84.704   39.472  5015.38  6635.47   0.0000   0.0000  5015.38  6635.47  ?   ?    84.704   39.472 0.000000 39.47239 
1 1 1  -92   16    2 o   70.143   34.474 -1835.4230  6823.16   0.0000   0.0000 -1835.4230  6823.16  ?   ?    70.143   34.474 0.000000 34.47387 
1 1 1  -92   16    3 o   79.968   39.099  3599.48  8432.86   0.0000   0.0000  3599.48  8432.86  ?   ?    79.968   39.099 0.000000 39.09860 
1 1 1  -92   16    4 o   94.098   45.371 15553.13 10351.49   0.0000   0.0000 15553.13 10351.49  ?   ?    94.098   45.371 0.000000 45.37131 
1 1 1  -92   16    5 o   90.345   44.445 17648.93 11429.89   0.0000   0.0000 17648.93 11429.89  ?   ?    90.345   44.445 0.000000 44.44503 
1 1 1  -92   16    6 o   72.027   36.437  2012.46 10466.26   0.0000   0.0000  2012.46 10466.26  ?   ?    72.027   36.437 0.000000 36.43726 
1 1 1  -92   16    7 o   71.845   36.631  6572.98 12151.04   0.0000   0.0000  6572.98 12151.04  ?   ?    71.845   36.631 0.000000 36.63111 
1 1 1  -92   16    8 o   67.485   34.663  6178.68 13094.48   0.0000   0.0000  6178.68 13094.48  ?   ?    67.485   34.663 0.000000 34.66335 
1 1 1  -92   16    9 o   33.255   11.583  471.871  383.730   0.0000   0.0000  471.871  383.730  ?   ?    33.255   11.583 0.000000 11.58280 
1 1 1  -92   16   10 o   26.141   11.265   59.156  434.042   0.0000   0.0000   59.156  434.042  ?   ?    26.141   11.265 0.000000 11.26456 
1 1 1  -92   18    1 o   68.749   33.536  132.032  6102.00   0.0000   0.0000  132.032  6102.00  ?   ?    68.749   33.536 0.000000 33.53642 
1 1 1  -92   18    2 o   72.424   35.564  1762.62  7212.97   0.0000   0.0000  1762.62  7212.97  ?   ?    72.424   35.564 0.000000 35.56438 
1 1 1  -92   18    3 o   90.131   43.766 16429.06 10070.32   0.0000   0.0000 16429.06 10070.32  ?   ?    90.131   43.766 0.000000 43.76617 
1 1 1  -92   18    4 o   60.874   30.965 -8192.1523  8294.13   0.0000   0.0000 -8192.1523  8294.13  ?   ?    60.874   30.965 0.000000 30.96450 
1 1 1  -92   18    5 o   75.713   38.329 11340.01 11707.28   0.0000   0.0000 11340.01 11707.28  ?   ?    75.713   38.329 0.000000 38.32862 
1 1 1  -92   18    6 f   71.707   36.664 11848.41 12938.67   0.0000   0.0000 11848.41 12938.67  ?   ?    71.707   36.664 0.000000 36.66390 
1 1 1  -92   18    7 o   72.825   37.506 34809.07 17270.06   0.0000   0.0000 34809.07 17270.06  ?   ?    72.825   37.506 0.000000 37.50636 
1 1 1  -92   18    8 o   64.856   33.526 21025.70 16473.24   0.0000   0.0000 21025.70 16473.24  ?   ?    64.856   33.526 0.000000 33.52562 
1 1 1  -92   20    3 o   81.283   40.800 21851.30 11783.41   0.0000   0.0000 21851.30 11783.41  ?   ?    81.283   40.800 0.000000 40.79992 
1 1 1  -91    1    1 o   67.236   9.3305  1901.76  495.655  1992.14  510.423  407.367  2075.56   68.831   9.3770   57.825   24.770 11.00534 26.48522 
1 1 1  -91    1    2 o  200.797   10.473 16795.10  1701.67 15856.76  2409.47 17728.84  2403.58  192.175   15.575  203.914   14.614 -11.73907 21.35784 
1 1 1  -91    1    3 o  279.419   13.795 33051.53  3129.90 31833.95  4422.27 34273.63  4430.44  267.075   20.550  278.112   19.748 -11.03705 28.50090 
1 1 1  -91    1    4 o  105.941   8.4129  4660.99  717.727  4262.02  1030.29  5037.15  1000.41   99.721   13.036  109.150   11.459 -9.429863 17.35672 
1 1 1  -91    1    5 o   52.050   10.232  1165.90  417.008  1167.18  652.764  1165.02  542.030   51.501   14.815   51.494   12.970 0.7175446E-02 19.69054 
1 1 1  -91    1    6 o  151.134   10.160  9579.13  1239.55  9115.59  1804.92  9992.92  1705.30  144.324   15.653  152.280   13.947 -7.955414 20.96488 
1 1 1  -91    1    7 o  116.406   10.042  5709.13  939.816  4812.36  1360.46  6527.73  1299.81  103.522   16.758  122.951   13.228 -19.42869 21.34966 
1 1 1  -91    1    8 o   52.696   14.246  1246.81  624.125  1003.88  896.310  1475.48  869.590   49.366   17.657   56.863   17.295 -7.497665 24.71552 
1 1 1  -91    1    9 o   75.463   12.309  2498.49  728.223  2066.94  1052.38  2894.97  1008.73   65.864   18.768   79.387   16.198 -13.52228 24.79122 
1 1 1  -91    1   10 o   15.960   8.0045 -1258.2330  448.778 -2068.1790  631.680 -432.7796  637.699   17.757   8.9794   26.817   12.407 -9.059238 15.31544 
1 1 1  -91    1   11 o   21.427   10.428 -937.1489  580.249 -1325.0660  924.807 -685.2925  745.175   27.385   13.290   27.268   12.871 0.1171627 18.50069 
1 1 1  -91    1   12 o   53.353   16.353  1381.81  775.501  1785.00  1135.39  1029.21  1061.76   58.857   19.944   48.709   18.853 10.14779 27.44414 
1 1 1  -91    1   13 o   60.047   17.929  1882.21  940.902  991.869  1325.72  2785.88  1335.60   48.710   20.269   69.791   21.472 -21.08138 29.52775 
1 1 1  -91    1   14 o   65.852   17.731  2344.95  969.179  3578.58  1474.64  1406.86  1285.92   75.780   22.403   50.931   20.423 24.84830 30.31545 
1 1 1  -91    1   15 o   40.869   17.849  616.419  1120.12  553.860  1702.38  664.180  1487.45   43.784   20.262   43.369   19.640 0.4149857 28.21835 
1 1 1  -91    1   16 o   49.176   20.568  1800.39  1375.17  1225.71  2012.42  2303.82  1883.55   44.894   21.179   50.651   22.584 -5.756847 30.96074 
1 1 1  -91    3    1 o   67.470   10.718  1935.60  567.533  1681.41  581.346  7094.58  2619.00   62.475   11.895  121.259   27.262 -58.78387 29.74423 
1 1 1  -91    3    2 f   89.120   11.588  3368.77  818.707  3202.95  840.398  6457.30  3626.92   86.636   12.291  109.558   35.605 -22.92156 37.66677 
1 1 1  -91    3    3 o  120.385   7.8729  5991.42  765.329  6825.19  1176.61  5379.97  1007.61  127.274   11.510  113.031   11.123 14.24358 16.00630 
1 1 1  -91    3    4 o  119.308   11.195  6001.73  1071.86  4352.43  3672.39  6155.31  1120.66   92.253   35.226  120.684   11.578 -28.43141 37.08028 
1 1 1  -91    3    5 o  105.561   9.0100  4651.01  764.869  3284.85  1223.61  5527.16  979.907   84.964   18.279  114.544   10.658 -29.58035 21.15927 
1 1 1  -91    3    6 o   31.466   11.306  359.310  367.912  515.469  662.974  289.818  442.261   39.468   14.992   31.519   12.176 7.948912 19.31359 
1 1 1  -91    3    7 o  143.578   10.674  8709.33  1235.52  6784.28  1876.79 10181.71  1641.37  121.070   19.774  153.704   13.282 -32.63424 23.82101 
1 1 1  -91    3    8 o   23.465   10.536 -168.3252  417.678 -854.5734  748.415  142.094  503.356   26.576   12.648   30.251   12.530 -3.674635 17.80390 
1 1 1  -91    3    9 o   34.622   13.169  398.982  512.014 -117.7824  829.698  716.816  650.690   34.225   15.139   42.206   15.050 -7.980244 21.34642 
1 1 1  -91    3   10 o  255.456   20.276 31510.40  4171.07  462.070  6042.17 59776.90  5765.14   71.453   34.505  352.147   20.248 -280.6942 40.00745 
1 1 1  -91    3   11 o   48.142   16.111  1059.73  740.846  1524.00  1221.12  789.308  931.956   56.380   20.549   45.340   17.631 11.03981 27.07572 
1 1 1  -91    3   12 o   38.574   15.370  500.041  723.541 -80.7103  1155.67  874.436  927.903   38.830   17.472   45.730   17.645 -6.900421 24.83213 
1 1 1  -91    3   13 o   71.548   17.162  2613.85  984.198  2699.95  1563.32  2557.32  1266.74   66.392   23.364   67.109   20.955 -0.7160950 31.38470 
1 1 1  -91    3   14 o   29.610   13.632 -267.9947  756.143  1781.57  1619.43 -839.4069  855.076   54.272   22.477   27.546   13.220 26.72603 26.07665 
1 1 1  -91    3   15 f   53.129   18.626  1705.13  993.076  3312.46  1683.94  848.055  1229.67   64.823   24.045   43.283   18.805 21.54003 30.52540 
1 1 1  -91    5    1 o  137.782   13.196  8062.89  1458.28  6997.28  1570.54 14727.63  3927.74  127.201   15.529  174.296   28.756 -47.09578 32.68130 
1 1 1  -91    5    2 o  154.803   12.640 10138.55  1574.94  9196.43  1654.06 19285.54  5153.89  146.690   14.059  193.131   34.113 -46.44167 36.89686 
1 1 1  -91    5    3 o   55.090   15.241  1341.16  704.751  1237.77  714.500  5052.33  4280.85   53.103   15.565   97.485   37.820 -44.38236 40.89796 
1 1 1  -91    5    4 o   48.787   15.808  1012.20  715.219  8773.59  2656.56  405.661  742.640  135.380   25.091   39.281   15.597 96.09900 29.54378 
1 1 1  -91    5    5 o  125.658   9.6830  6608.64  980.344  4788.79  1595.95  7711.42  1242.36  101.919   20.000  135.020   11.440 -33.10071 23.04012 
1 1 1  -91    5    6 o  162.602   14.297 11449.65  1868.38  2098.79  5996.80 12454.93  1966.25   84.276   38.647  169.542   14.420 -85.26517 41.25005 
1 1 1  -91    5    7 o  123.683   10.232  6460.20  1018.32  4776.62  1702.72  7397.67  1270.59   99.756   21.644  131.463   12.037 -31.70634 24.76563 
1 1 1  -91    5    8 o   27.348   11.475   78.363  430.166 -1280.1250  932.155  445.947  484.884   28.198   13.601   35.148   12.928 -6.950151 18.76453 
1 1 1  -91    5    9 o  116.353   11.325  5829.97  1056.35  4423.35  1841.92  6519.36  1289.48   92.096   24.285  121.856   13.246 -29.75966 27.66215 
1 1 1  -91    5   10 o   41.634   14.650  723.335  614.644  1216.19  1215.06  553.847  712.533   53.242   20.279   39.928   15.447 13.31419 25.49163 
1 1 1  -91    5   11 o   35.648   14.595  320.739  672.651  270.648  1253.20  341.010  797.223   43.418   18.923   37.911   15.742 5.506363 24.61443 
1 1 1  -91    5   12 o   33.889   14.766   76.898  762.644  3615.02  1273.22 -1902.8630  952.405   83.750   19.141   25.066   12.423 58.68374 22.81899 
1 1 1  -91    5   13 o   56.990   17.255  1690.31  867.058  2806.12  1561.56  1192.97  1042.54   67.063   23.365   49.164   18.770 17.89912 29.97071 
1 1 1  -91    5   14 o   41.216   16.099  768.541  779.688  1774.25  1405.44  321.408  937.117   53.943   21.444   37.483   16.349 16.45970 26.96574 
1 1 1  -91    5   15 o   28.630   13.320 -282.1727  750.788 -1121.2600  1380.49   70.248  894.669   32.869   16.015   33.655   15.237 -0.7861328 22.10558 
1 1 1  -91    7    1 f  116.117   39.914  7886.40  4549.40   0.0000   0.0000  7886.40  4549.40  ?   ?   116.117   39.914 0.000000 39.91380 
1 1 1  -91    7    2 o   88.361   37.551  3216.69  4702.44   0.0000   0.0000  3216.69  4702.44  ?   ?    88.361   37.551 0.000000 37.55147 
1 1 1  -91    7    3 o   56.573   26.986 -2818.6631  3449.10   0.0000   0.0000 -2818.6631  3449.10  ?   ?    56.573   26.986 0.000000 26.98643 
1 1 1  -91    7    4 o   95.937   41.976  4813.48  6220.81   0.0000   0.0000  4813.48  6220.81  ?   ?    95.937   41.976 0.000000 41.97605 
1 1 1  -91    7    5 o   55.967   9.3587  1335.85  410.277  485.072  806.793  1632.60  476.487   41.248   16.295   61.873   9.8119 -20.62451 19.02110 
1 1 1  -91    7    6 o   55.414   9.8944  1319.71  428.863  520.214  884.019  1565.79  490.441   42.720   17.000   60.327   10.387 -17.60702 19.92197 
1 1 1  -91    7    7 o  169.120   14.198 12481.64  1931.56  5988.99  7068.25 13005.63  2007.99   93.323   42.476  172.417   14.477 -79.09367 44.87526 
1 1 1  -91    7    8 o   84.340   10.298  3043.53  690.565  2329.54  1317.51  3313.98  810.876   68.966   21.344   87.428   11.717 -18.46140 24.34904 
1 1 1  -91    7    9 o   92.461   10.169  3663.75  750.849  3331.64  1467.47  3781.53  873.907   81.029   21.819   93.120   11.825 -12.09119 24.81691 
1 1 1  -91    7   10 o   86.804   10.501  3265.88  725.070  4772.24  1392.73  2705.79  849.233   99.899   17.824   77.004   14.102 22.89425 22.72772 
1 1 1  -91    7   11 f  145.958   12.761  9523.79  1497.09  6875.44  2387.34 11240.25  1921.96  106.926   27.379  155.452   15.431 -48.52534 31.42798 
1 1 1  -91    7   12 o   45.082   15.895  941.954  723.905  573.672  1236.62  1133.95  892.880   44.633   19.119   48.674   17.597 -4.041054 25.98446 
1 1 1  -91    7   13 o   50.207   17.653  1307.10  892.315 -933.1489  1431.74  2729.93  1141.02   36.133   17.278   70.097   19.393 -33.96389 25.97315 
1 1 1  -91    7   14 o   36.867   15.411  465.085  771.437  715.009  1397.58  355.570  925.143   44.078   19.565   37.348   16.268 6.729908 25.44502 
1 1 1  -91    7   15 o   50.500   16.997  1499.30  824.592  777.705  1468.05  1831.90  996.670   42.696   19.404   53.803   18.671 -11.10699 26.92814 
1 1 1  -91    9    1 o  178.731   47.416 20884.53  6994.44   0.0000   0.0000 20884.53  6994.44  ?   ?   178.731   47.416 0.000000 47.41591 
1 1 1  -91    9    2 o   79.556   35.759  1246.79  4825.64   0.0000   0.0000  1246.79  4825.64  ?   ?    79.556   35.759 0.000000 35.75934 
1 1 1  -91    9    3 o   83.346   36.691  2411.90  4817.70   0.0000   0.0000  2411.90  4817.70  ?   ?    83.346   36.691 0.000000 36.69135 
1 1 1  -91    9    4 o  124.239   50.557 13600.25  8008.87   0.0000   0.0000 13600.25  8008.87  ?   ?   124.239   50.557 0.000000 50.55676 
1 1 1  -91    9    5 o   81.783   39.319 -461.7093  7642.08   0.0000   0.0000 -461.7093  7642.08  ?   ?    81.783   39.319 0.000000 39.31944 
1 1 1  -91    9    6 o   63.041   10.376  1710.36  512.629   0.0000   0.0000  1710.36  512.629  ?   ?    63.041   10.376 0.000000 10.37594 
1 1 1  -91    9    7 o   22.382   9.1877   78.526  267.404 -94.9357  702.876  107.881  289.147   31.854   14.019   23.725   9.6242 8.129135 17.00476 
1 1 1  -91    9    8 o  117.877   10.538  5940.56  998.016  3351.73  1902.09  6924.03  1172.36   78.970   25.790  126.719   11.520 -47.74941 28.24615 
1 1 1  -91    9    9 o   30.034   11.431  294.828  385.903 -91.7361  1146.07  344.262  409.835   39.585   17.635   31.532   11.830 8.052774 21.23537 
1 1 1  -91    9   10 o   24.330   10.729 -72.5340  413.602  1227.30  1188.87 -251.5161  441.159   52.462   20.040   22.950   10.509 29.51244 22.62860 
1 1 1  -91    9   11 o  109.065   11.295  5263.17  985.799  6057.87  1879.42  4961.54  1157.86  105.226   22.666  103.554   14.140 1.671532 26.71519 
1 1 1  -91    9   12 o   54.016   16.239  1470.75  769.970 -81.5765  1529.64  1997.57  891.095   42.266   19.433   62.320   17.095 -20.05396 25.88205 
1 1 1  -91    9   13 o   70.304   15.373  2496.93  853.083  4564.80  1781.07  1881.29  971.809   82.287   24.690   58.129   18.384 24.15861 30.78223 
1 1 1  -91    9   14 o   53.879   18.692  1742.70  998.916  1290.15  1844.97  1930.37  1188.13   48.396   21.898   54.884   20.229 -6.488174 29.81166 
1 1 1  -91   11    1 o   56.479   27.584 -4988.4771  4163.09   0.0000   0.0000 -4988.4771  4163.09  ?   ?    56.479   27.584 0.000000 27.58377 
1 1 1  -91   11    2 o  117.677   46.410 10485.08  6534.16   0.0000   0.0000 10485.08  6534.16  ?   ?   117.677   46.410 0.000000 46.40985 
1 1 1  -91   11    3 o   57.658   28.487 -6709.7368  4869.25   0.0000   0.0000 -6709.7368  4869.25  ?   ?    57.658   28.487 0.000000 28.48651 
1 1 1  -91   11    4 o   91.954   42.580  4487.94  7534.67   0.0000   0.0000  4487.94  7534.67  ?   ?    91.954   42.580 0.000000 42.57998 
1 1 1  -91   11    5 o  101.255   46.331  9206.34  8552.47   0.0000   0.0000  9206.34  8552.47  ?   ?   101.255   46.331 0.000000 46.33065 
1 1 1  -91   11    6 f   62.013   31.447 -14764.7197  8103.28   0.0000   0.0000 -14764.7197  8103.28  ?   ?    62.013   31.447 0.000000 31.44707 
1 1 1  -91   11    7 o   74.723   11.082  2423.38  651.989   0.0000   0.0000  2423.38  651.989  ?   ?    74.723   11.082 0.000000 11.08190 
1 1 1  -91   11    8 o   40.388   11.238  722.468  382.034  2146.53  1213.16  565.703  402.513   65.644   20.509   36.475   11.862 29.16887 23.69205 
1 1 1  -91   11    9 o  149.445   13.936 10045.77  1671.53   0.0000   0.0000 10045.77  1671.53  ?   ?   149.445   13.936 0.000000 13.93579 
1 1 1  -91   11   10 o   75.626   11.565  2551.88  687.580  1206.41  1778.37  2788.36  745.559   54.630   23.149   78.834   12.028 -24.20303 26.08737 
1 1 1  -91   11   11 o   47.109   13.645  1051.99  552.006  1248.89  1584.49  1024.80  588.899   52.595   22.044   46.415   14.254 6.179340 26.25114 
1 1 1  -91   11   12 o   29.150   12.829   6.8112  588.581 -1253.2880  1612.21  200.587  632.218   36.847   17.801   32.348   13.759 4.498295 22.49817 
1 1 1  -91   11   13 o   45.710   15.459  1077.39  682.138 -32.0707  1739.80  1278.92  741.510   42.025   19.784   49.068   16.106 -7.042683 25.51165 
1 1 1  -91   11   14 o   51.816   17.786  1616.68  903.174  2460.90  1971.90  1392.56  1016.01   53.698   23.560   47.915   18.471 5.782848 29.93778 
1 1 1  -91   13    1 o   88.877   38.984  4083.46  5394.91   0.0000   0.0000  4083.46  5394.91  ?   ?    88.877   38.984 0.000000 38.98351 
1 1 1  -91   13    2 o   62.066   29.952 -3186.8411  4533.56   0.0000   0.0000 -3186.8411  4533.56  ?   ?    62.066   29.952 0.000000 29.95151 
1 1 1  -91   13    3 f   68.548   33.398 -3584.2461  5999.71   0.0000   0.0000 -3584.2461  5999.71  ?   ?    68.548   33.398 0.000000 33.39779 
1 1 1  -91   13    4 o   74.615   36.063 -1180.3910  6635.20   0.0000   0.0000 -1180.3910  6635.20  ?   ?    74.615   36.063 0.000000 36.06280 
1 1 1  -91   13    5 o   99.484   47.457 12414.42 10667.78   0.0000   0.0000 12414.42 10667.78  ?   ?    99.484   47.457 0.000000 47.45731 
1 1 1  -91   13    6 o   82.840   41.242  2802.65 10977.52   0.0000   0.0000  2802.65 10977.52  ?   ?    82.840   41.242 0.000000 41.24194 
1 1 1  -91   13    7 o   72.511   36.429 -2993.1379  9499.54   0.0000   0.0000 -2993.1379  9499.54  ?   ?    72.511   36.429 0.000000 36.42930 
1 1 1  -91   13    8 o  117.848   11.980  6106.67  1130.37   0.0000   0.0000  6106.67  1130.37  ?   ?   117.848   11.980 0.000000 11.97955 
1 1 1  -91   13    9 o  107.668   11.090  5090.83  955.659  2879.66  2473.59  5478.78  1036.11   68.522   28.014  111.315   11.635 -42.79285 30.33463 
1 1 1  -91   13   10 o   21.436   10.021 -354.3073  433.154 -2247.2471  1760.92 -232.3952  446.885   35.999   17.656   23.139   10.589 12.85972 20.58786 
1 1 1  -91   13   11 o   45.894   14.672  1023.61  617.683 -6175.7778  2193.03  1643.96  643.745   31.419   15.976   58.339   13.805 -26.91978 21.11419 
1 1 1  -91   13   12 o   23.953   10.801 -122.6677  444.348 -2963.5901  2043.83   18.276  455.237   35.295   17.607   26.040   11.375 9.254568 20.96236 
1 1 1  -91   13   13 o   31.500   13.662  190.153  646.794  1665.72  2083.50   32.787  680.411   50.191   22.928   30.327   13.544 19.86393 26.62985 
1 1 1  -91   15    1 o  106.886   44.152  9718.04  6224.84   0.0000   0.0000  9718.04  6224.84  ?   ?   106.886   44.152 0.000000 44.15198 
1 1 1  -91   15    2 o   66.820   32.321 -2307.1221  5356.63   0.0000   0.0000 -2307.1221  5356.63  ?   ?    66.820   32.321 0.000000 32.32113 
1 1 1  -91   15    3 o  127.826   55.170 24644.49 10444.97   0.0000   0.0000 24644.49 10444.97  ?   ?   127.826   55.170 0.000000 55.17016 
1 1 1  -91   15    4 o   65.047   32.718 -8740.1201  7778.78   0.0000   0.0000 -8740.1201  7778.78  ?   ?    65.047   32.718 0.000000 32.71802 
1 1 1  -91   15    5 o   78.004   38.952  546.638 10107.99   0.0000   0.0000  546.638 10107.99  ?   ?    78.004   38.952 0.000000 38.95201 
1 1 1  -91   15    6 o   90.504   44.760 16017.77 12126.97   0.0000   0.0000 16017.77 12126.97  ?   ?    90.504   44.760 0.000000 44.75982 
1 1 1  -91   15    7 f   78.532   39.608  7765.19 11829.67   0.0000   0.0000  7765.19 11829.67  ?   ?    78.532   39.608 0.000000 39.60767 
1 1 1  -91   15    8 o   67.497   34.440 -2174.7051 10906.73   0.0000   0.0000 -2174.7051 10906.73  ?   ?    67.497   34.440 0.000000 34.44050 
1 1 1  -91   15    9 o   50.412   11.842  1170.17  476.496   0.0000   0.0000  1170.17  476.496  ?   ?    50.412   11.842 0.000000 11.84224 
1 1 1  -91   15   10 o   61.959   12.042  1780.28  583.976   0.0000   0.0000  1780.28  583.976  ?   ?    61.959   12.042 0.000000 12.04175 
1 1 1  -91   15   11 o   29.597   12.554  162.844  523.940   0.0000   0.0000  162.844  523.940  ?   ?    29.597   12.554 0.000000 12.55435 
1 1 1  -91   15   12 o   43.087   14.133  943.877  570.975   0.0000   0.0000  943.877  570.975  ?   ?    43.087   14.133 0.000000 14.13305 
1 1 1  -91   17    1 o   80.642   37.466  3730.97  5906.31   0.0000   0.0000  3730.97  5906.31  ?   ?    80.642   37.466 0.000000 37.46624 
1 1 1  -91   17    2 f   94.398   43.507  9941.28  7730.80   0.0000   0.0000  9941.28  7730.80  ?   ?    94.398   43.507 0.000000 43.50698 
1 1 1  -91   17    3 o  136.888   60.688 45957.10 13408.55   0.0000   0.0000 45957.10 13408.55  ?   ?   136.888   60.688 0.000000 60.68811 
1 1 1  -91   17    4 o  110.715   52.503 32617.84 12673.93   0.0000   0.0000 32617.84 12673.93  ?   ?   110.715   52.503 0.000000 52.50322 
1 1 1  -91   17    5 o   83.829   41.580 11545.87 10753.02   0.0000   0.0000 11545.87 10753.02  ?   ?    83.829   41.580 0.000000 41.58002 
1 1 1  -91   17    6 o   72.267   36.594  2692.60 10716.28   0.0000   0.0000  2692.60 10716.28  ?   ?    72.267   36.594 0.000000 36.59359 
1 1 1  -91   17    7 o   62.066   31.817 -8370.4619 10395.98   0.0000   0.0000 -8370.4619 10395.98  ?   ?    62.066   31.817 0.000000 31.81749 
1 1 1  -91   17    8 o   69.191   35.549 11664.80 13924.12   0.0000   0.0000 11664.80 13924.12  ?   ?    69.191   35.549 0.000000 35.54931 
1 1 1  -91   17    9 o   82.058   11.638  3075.12  753.692   0.0000   0.0000  3075.12  753.692  ?   ?    82.058   11.638 0.000000 11.63794 
1 1 1  -91   17   10 o   37.584   13.116  648.559  492.175   0.0000   0.0000  648.559  492.175  ?   ?    37.584   13.116 0.000000 13.11624 
1 1 1  -91   19    1 o   72.929   35.405  2265.84  6581.03   0.0000   0.0000  2265.84  6581.03  ?   ?    72.929   35.405 0.000000 35.40547 
1 1 1  -91   19    2 o   69.346   34.309  157.152  7150.60   0.0000   0.0000  157.152  7150.60  ?   ?    69.346   34.309 0.000000 34.30920 
1 1 1  -91   19    3 o   57.394   29.068 -8408.7734  6782.20   0.0000   0.0000 -8408.7734  6782.20  ?   ?    57.394   29.068 0.000000 29.06794 
1 1 1  -91   19    4 o   80.909   40.538 14474.46 11376.23   0.0000   0.0000 14474.46 11376.23  ?   ?    80.909   40.538 0.000000 40.53827 
1 1 1  -91   19    5 o   67.370   34.324  277.404 10504.53   0.0000   0.0000  277.404 10504.53  ?   ?    67.370   34.324 0.000000 34.32420 
1 1 1  -91   19    6 o   67.019   34.357  3789.81 12124.81   0.0000   0.0000  3789.81 12124.81  ?   ?    67.019   34.357 0.000000 34.35677 
1 1 1  -91   19    7 o   66.784   34.404 13082.52 14670.21   0.0000   0.0000 13082.52 14670.21  ?   ?    66.784   34.404 0.000000 34.40425 
1 1 1  -91   19    8 o   62.822   32.521 14901.82 15860.40   0.0000   0.0000 14901.82 15860.40  ?   ?    62.822   32.521 0.000000 32.52053 
1 1 1  -90    0    1 o   84.535   36.186  4616.21  2537.46  4616.21  2537.46   0.0000   0.0000   84.535   36.186   84.535   36.186 0.000000 0.000000 
1 1 1  -90    0    2 o  196.055   14.497 16247.13  2278.71   0.0000   0.0000 16247.13  2278.71  196.055   14.497  196.055   14.497 -0.000000 0.000000 
1 1 1  -90    0    3 o  305.194   21.458 40422.38  5257.08 40422.38  5257.08   0.0000   0.0000  305.194   21.458  305.194   21.458 0.000000 0.000000 
1 1 1  -90    0    4 o   38.056   15.935  847.483  493.865  847.483  493.865   0.0000   0.0000   38.056   15.935   38.056   15.935 0.000000 0.000000 
1 1 1  -90    0    5 o  189.399   15.127 15238.44  2292.21 15238.44  2292.21   0.0000   0.0000  189.399   15.127  189.399   15.127 0.000000 0.000000 
1 1 1  -90    0    6 o   34.208   16.874  723.175  561.342  723.175  561.342   0.0000   0.0000   34.208   16.874   34.208   16.874 0.000000 0.000000 
1 1 1  -90    0    7 o   28.550   17.104  375.944  708.609   0.0000   0.0000  375.944  708.609   28.550   17.104   28.550   17.104 -0.000000 0.000000 
1 1 1  -90    0    8 o   74.349   20.360  2788.69  1062.69  2788.69  1062.69   0.0000   0.0000   74.349   20.360   74.349   20.360 0.000000 0.000000 
1 1 1  -90    0    9 o   18.619   12.827 -450.0946  642.482 -450.0946  642.482   0.0000   0.0000   18.619   12.827   18.619   12.827 0.000000 0.000000 
1 1 1  -90    0   10 o   24.173   15.823 -56.5626  770.062 -56.5626  770.062   0.0000   0.0000   24.173   15.823   24.173   15.823 0.000000 0.000000 
1 1 1  -90    0   11 o  106.572   18.956  5262.67  1485.59   0.0000   0.0000  5262.67  1485.59  106.572   18.956  106.572   18.956 -0.000000 0.000000 
1 1 1  -90    0   12 o   19.468   13.653 -801.8557  819.220 -801.8557  819.220   0.0000   0.0000   19.468   13.653   19.468   13.653 0.000000 0.000000 
1 1 1  -90    0   13 o   16.733   12.205 -2184.5039  986.433   0.0000   0.0000 -2184.5039  986.433   16.733   12.205   16.733   12.205 -0.000000 0.000000 
1 1 1  -90    0   14 o   90.910   26.140  4526.08  1673.31  4526.08  1673.31   0.0000   0.0000   90.910   26.140   90.910   26.140 0.000000 0.000000 
1 1 1  -90    0   15 o   30.322   20.683 -509.5454  1578.78   0.0000   0.0000 -509.5454  1578.78   30.322   20.683   30.322   20.683 -0.000000 0.000000 
1 1 1  -90    0   16 o   38.036   24.611  609.932  1788.43   0.0000   0.0000  609.932  1788.43   38.036   24.611   38.036   24.611 -0.000000 0.000000 
1 1 1  -90    2    1 o   72.553   24.654  2327.30  1735.05  2075.92  2293.82  2663.45  2652.53   72.776   27.828   79.445   30.033 -6.669518 40.94328 
1 1 1  -90    2    2 o   69.185   26.380  1851.13  2057.77  1851.13  2057.77   0.0000   0.0000   69.185   26.380  ?   ?  0.000000 26.38047 
1 1 1  -90    2    3 o  131.913   8.6585  7206.26  922.256  6586.46  1312.27  7811.17  1296.41  124.475   13.184  136.227   11.838 -11.75183 17.71920 
1 1 1  -90    2    4 o   98.241   8.1330  4002.68  642.928  4110.68  990.741  3924.11  845.021   98.118   12.736   96.438   10.988 1.679787 16.82081 
1 1 1  -90    2    5 o  182.798   10.112 13941.25  1495.06 15319.26  2190.89 12740.33  2045.28  189.106   14.376  172.116   14.778 16.98999 20.61723 
1 1 1  -90    2    6 o   63.340   10.051  1709.67  499.668  1551.27  812.609  1805.98  633.606   58.814   16.399   64.372   12.573 -5.558414 20.66457 
1 1 1  -90    2    7 o   30.245   11.645  269.458  403.411  360.005  638.664  209.348  520.360   36.605   14.486   31.845   12.913 4.759449 19.40641 
1 1 1  -90    2    8 o   48.319   13.241  1034.40  534.914  907.637  873.860  1110.36  676.456   47.873   17.393   50.065   15.260 -2.192547 23.13805 
1 1 1  -90    2    9 o  112.303   11.162  5397.49  1004.34  4555.55  1507.08  6070.11  1347.05   98.083   19.609  117.213   14.460 -19.13036 24.36427 
1 1 1  -90    2   10 o   36.427   14.100  427.834  593.992 -263.0593  867.211  1038.43  815.258   33.559   15.115   48.816   16.890 -15.25722 22.66525 
1 1 1  -90    2   11 o   88.438   13.313  3502.94  926.339  3233.12  1448.89  3689.48  1204.72   78.953   21.857   88.004   17.476 -9.050232 27.98426 
1 1 1  -90    2   12 o   84.328   14.723  3305.19  971.421  3967.97  1529.85  2857.41  1257.45   86.290   21.821   74.094   20.301 12.19573 29.80395 
1 1 1  -90    2   13 o   48.624   17.331  1132.71  862.824  2335.00  1400.00  396.359  1095.64   64.100   22.135   41.626   17.917 22.47452 28.47821 
1 1 1  -90    2   14 o   50.290   17.599  1314.02  886.399   72.625  1586.37  1877.54  1068.81   42.927   19.756   57.968   19.352 -15.04082 27.65500 
1 1 1  -90    2   15 o   37.524   16.294  387.259  922.331  346.103  1737.40  403.409  1088.36   43.590   20.275   39.277   17.358 4.313232 26.68988 
1 1 1  -90    2   16 o   46.443   19.516  1362.77  1247.08  1228.83  1947.41  1455.87  1623.68   45.869   21.378   46.959   20.950 -1.089771 29.93226 
1 1 1  -90    4    1 o   69.611   11.052  2061.07  603.830  2137.50  618.982  557.214  2745.87   70.899   11.118   65.405   28.258 5.493950 30.36654 
1 1 1  -90    4    2 o  211.715   14.457 19063.88  2470.44 18258.39  2690.27 23397.05  6239.76  205.978   16.217  209.713   38.045 -3.735184 41.35721 
1 1 1  -90    4    3 o  166.349   13.981 11784.33  1870.92 11353.64  1982.11 15303.25  5665.66  162.586   15.190  161.640   42.576 0.9457855 45.20497 
1 1 1  -90    4    4 o   73.271   8.1870  2239.50  478.745  1334.10  836.518  2680.49  583.807   55.219   16.994   79.993   9.1531 -24.77412 19.30226 
1 1 1  -90    4    5 o   21.788   9.4170 -28.1707  305.168  1601.17  2982.77 -45.4062  306.778   71.890   30.194   21.551   9.3780 50.33839 31.61674 
1 1 1  -90    4    6 o   96.162   9.1287  3870.78  704.229  3025.45  1165.65  4356.67  883.743   81.431   18.099  101.446   10.900 -20.01480 21.12752 
1 1 1  -90    4    7 o   90.042   42.241  2945.45  7810.77  3225.77 16552.26  2865.15  8859.17   97.995   49.069   91.434   43.515 6.560112 65.58456 
1 1 1  -90    4    8 o   81.298   10.798  2829.45  695.181  1930.14  1200.91  3282.69  852.549   64.195   20.451   86.982   12.424 -22.78692 23.92893 
1 1 1  -90    4    9 o   63.216   12.962  1777.74  643.009  1224.34  1134.12  2039.91  780.597   53.843   19.776   67.088   14.733 -13.24472 24.66078 
1 1 1  -90    4   10 o   97.838   12.121  4180.72  942.278  2761.26  1570.08  4979.78  1178.01   73.044   23.396  105.658   14.082 -32.61393 27.30682 
1 1 1  -90    4   11 o   78.396   14.625  2823.99  896.740  2110.63  1536.19  3192.71  1104.44   64.094   23.095   81.764   17.182 -17.67043 28.78526 
1 1 1  -90    4   12 o   50.176   16.990  1191.72  823.957  1676.15  1461.56  966.038  997.595   57.849   22.191   47.673   18.323 10.17624 28.77785 
1 1 1  -90    4   13 o   72.391   17.155  2647.31  992.911  839.280  1709.68  3567.48  1219.68   50.088   21.958   83.073   18.551 -32.98460 28.74549 
1 1 1  -90    4   14 o   61.013   18.275  2038.35  976.437  2198.26  1557.74  1934.85  1253.20   59.051   22.841   57.387   20.832 1.664673 30.91404 
1 1 1  -90    4   15 o   55.297   17.634  1745.83  892.721  1813.46  1566.92  1713.33  1086.26   52.488   21.955   53.165   19.380 -0.6769753 29.28490 
1 1 1  -90    4   16 o   54.197   20.273  2098.85  1201.89  4992.38  2467.25  1198.57  1376.22   63.264   27.050   44.657   19.636 18.60725 33.42580 
1 1 1  -90    6    1 o  277.977   41.908 42920.97  9165.17   0.0000   0.0000 42920.97  9165.17  ?   ?   277.977   41.908 0.000000 41.90821 
1 1 1  -90    6    2 o  204.247   45.449 24827.18  7343.12   0.0000   0.0000 24827.18  7343.12  ?   ?   204.247   45.449 0.000000 45.44935 
1 1 1  -90    6    3 o   69.277   14.505  2109.62  789.747  2090.66  802.362  2698.67  4471.31   68.873   14.789   85.768   36.537 -16.89452 39.41670 
1 1 1  -90    6    4 o   48.757   15.501  1015.61  690.244  972.307  696.316  3466.29  5238.16   47.984   15.601   90.690   39.106 -42.70546 42.10315 
1 1 1  -90    6    5 o   85.757   8.6531  3072.78  594.291  2495.24  1080.63  3323.19  711.556   73.932   18.138   88.794   10.046 -14.86171 20.73437 
1 1 1  -90    6    6 o   78.957   9.2749  2625.25  583.297  2030.68  1148.85  2831.75  677.055   66.284   19.816   81.663   10.451 -15.37885 22.40267 
1 1 1  -90    6    7 o  119.612   10.204  6035.72  981.530  4179.92  1675.43  7005.46  1211.12   92.849   22.467  128.152   11.771 -35.30339 25.36336 
1 1 1  -90    6    8 o   78.316   10.184  2617.70  632.300  1276.52  1219.22  3111.14  739.523   55.348   20.474   85.176   10.946 -29.82769 23.21661 
1 1 1  -90    6    9 o   28.131   11.078  210.734  371.809  179.174  1073.31  215.038  396.350   41.320   17.759   28.814   11.409 12.50605 21.10801 
1 1 1  -90    6   10 o   88.387   10.997  3386.40  772.164  1556.26  1463.55  4092.33  908.968   58.564   22.268   96.825   11.806 -38.26088 25.20381 
1 1 1  -90    6   11 o   76.089   14.298  2662.35  850.898  184.441  1482.31  3880.14  1039.16   45.616   20.203   92.157   14.355 -46.54067 24.78350 
1 1 1  -90    6   12 o   34.461   14.815  143.770  747.266  524.366  1266.10 -59.6802  925.692   45.106   19.334   35.514   15.834 9.591785 24.99041 
1 1 1  -90    6   13 o   58.850   17.884  1811.74  930.148  2678.13  1563.12  1336.77  1157.36   66.201   23.355   51.533   19.752 14.66801 30.58791 
1 1 1  -90    6   14 o   83.851   16.511  3623.13  1084.15  3024.21  1703.56  4030.81  1405.50   65.787   24.226   83.014   20.873 -17.22668 31.97809 
1 1 1  -90    6   15 o   41.687   16.956  833.907  900.368  1358.99  1577.22  580.075  1096.61   48.217   21.115   40.267   17.621 7.949356 27.50203 
1 1 1  -90    8    1 o  136.051   43.154 11302.52  5351.86   0.0000   0.0000 11302.52  5351.86  ?   ?   136.051   43.154 0.000000 43.15443 
1 1 1  -90    8    2 o  203.407   48.949 26565.47  7986.53   0.0000   0.0000 26565.47  7986.53  ?   ?   203.407   48.949 0.000000 48.94889 
1 1 1  -90    8    3 o   90.661   38.964  3513.21  5166.57   0.0000   0.0000  3513.21  5166.57  ?   ?    90.661   38.964 0.000000 38.96410 
1 1 1  -90    8    4 o  160.529   54.572 21095.47  8501.03   0.0000   0.0000 21095.47  8501.03  ?   ?   160.529   54.572 0.000000 54.57173 
1 1 1  -90    8    5 o  203.850   62.658 38925.47 11376.18   0.0000   0.0000 38925.47 11376.18  ?   ?   203.850   62.658 0.000000 62.65847 
1 1 1  -90    8    6 o   54.372   8.8885  1258.28  378.852  1291.37  830.986  1249.60  425.664   53.941   16.994   53.849   10.106 0.9108353E-01 19.77173 
1 1 1  -90    8    7 o  137.068   10.498  7947.47  1159.44  4639.33  1921.24  9842.39  1454.06   95.985   24.553  151.774   11.894 -55.78933 27.28188 
1 1 1  -90    8    8 o   75.207   9.9269  2416.25  591.376  1150.56  1239.30  2789.43  672.935   53.721   20.475   80.654   10.527 -26.93290 23.02278 
1 1 1  -90    8    9 o  176.318   13.259 13612.33  1884.36  8774.17  3011.64 16725.03  2415.63  123.359   30.289  192.956   15.550 -69.59689 34.04783 
1 1 1  -90    8   10 o   85.796   11.753  3233.69  797.203  1818.59  1479.03  3813.16  946.456   61.011   22.554   92.563   12.947 -31.55241 26.00602 
1 1 1  -90    8   11 o   72.576   13.720  2420.68  778.914  1604.56  1457.34  2747.05  921.592   57.451   22.129   76.334   15.400 -18.88319 26.96012 
1 1 1  -90    8   12 o   75.169   13.486  2624.57  792.856  2538.02  1485.78  2659.03  937.493   66.411   22.811   73.753   16.106 -7.341934 27.92392 
1 1 1  -90    8   13 o   98.875   14.249  4668.74  1110.94  4548.40  1886.13  4732.67  1374.70   82.742   25.527   94.949   18.496 -12.20693 31.52337 
1 1 1  -90    8   14 f   90.101   16.438  4221.70  1158.30  4483.87  1939.34  4076.32  1444.19   76.513   26.065   81.565   21.501 -5.052254 33.78874 
1 1 1  -90    8   15 o   30.180   13.935 -174.1813  798.393 -129.6673  1645.74 -187.8820  913.029   39.211   18.687   31.774   14.752 7.437727 23.80800 
1 1 1  -90   10    1 o   76.898   33.770  1338.62  4059.25   0.0000   0.0000  1338.62  4059.25  ?   ?    76.898   33.770 0.000000 33.77015 
1 1 1  -90   10    2 o  109.109   41.876  7377.33  5206.35   0.0000   0.0000  7377.33  5206.35  ?   ?   109.109   41.876 0.000000 41.87622 
1 1 1  -90   10    3 o  115.437   46.483  9614.98  6691.56   0.0000   0.0000  9614.98  6691.56  ?   ?   115.437   46.483 0.000000 46.48342 
1 1 1  -90   10    4 o  112.474   47.805  9969.64  7623.11   0.0000   0.0000  9969.64  7623.11  ?   ?   112.474   47.805 0.000000 47.80538 
1 1 1  -90   10    5 o  106.152   48.059  9502.12  8901.08   0.0000   0.0000  9502.12  8901.08  ?   ?   106.152   48.059 0.000000 48.05946 
1 1 1  -90   10    6 o   81.480   39.134  256.365  7525.75   0.0000   0.0000  256.365  7525.75  ?   ?    81.480   39.134 0.000000 39.13353 
1 1 1  -90   10    7 o   42.330   10.603  785.575  363.675 -148.7660  968.925  938.789  392.362   36.762   16.305   46.276   10.662 -9.514809 19.48143 
1 1 1  -90   10    8 o  103.518   9.8788  4558.12  820.264  4002.20  1655.57  4738.98  944.318   88.742   22.842  104.870   11.267 -16.12792 25.46905 
1 1 1  -90   10    9 o  167.019   13.438 12323.45  1806.91  5706.92  3084.34 15780.81  2229.56   92.711   32.797  187.572   14.758 -94.86090 35.96432 
1 1 1  -90   10   10 o  120.171   11.052  6283.96  1066.29  5606.47  2043.43  6537.46  1249.96  100.270   25.144  121.155   12.905 -20.88544 28.26241 
1 1 1  -90   10   11 o   95.101   11.576  4019.91  875.428  2383.49  1850.33  4491.85  993.676   64.491   24.908   99.876   12.529 -35.38501 27.88162 
1 1 1  -90   10   12 o  104.801   12.710  5037.02  1059.44  5366.11  2086.84  4922.75  1229.70   90.537   26.619  100.935   15.500 -10.39831 30.80253 
1 1 1  -90   10   13 o   71.885   14.777  2558.55  833.685  1840.38  1793.53  2756.49  941.591   55.168   23.305   73.303   16.247 -18.13491 28.40885 
1 1 1  -90   10   14 o   26.696   12.659 -545.2234  736.535 -457.5953  1580.21 -569.5443  832.495   38.242   18.249   28.335   13.443 9.907143 22.66567 
1 1 1  -90   12    1 o   71.210   32.102  448.732  3922.36   0.0000   0.0000  448.732  3922.36  ?   ?    71.210   32.102 0.000000 32.10160 
1 1 1  -90   12    2 o  115.457   46.334  9992.44  6624.29   0.0000   0.0000  9992.44  6624.29  ?   ?   115.457   46.334 0.000000 46.33447 
1 1 1  -90   12    3 o   95.619   42.652  5290.25  6726.57   0.0000   0.0000  5290.25  6726.57  ?   ?    95.619   42.652 0.000000 42.65239 
1 1 1  -90   12    4 o   61.741   30.378 -5878.9531  5345.41   0.0000   0.0000 -5878.9531  5345.41  ?   ?    61.741   30.378 0.000000 30.37755 
1 1 1  -90   12    5 o  101.517   46.509  9169.33  8655.94   0.0000   0.0000  9169.33  8655.94  ?   ?   101.517   46.509 0.000000 46.50891 
1 1 1  -90   12    6 o   84.040   40.777  2015.65  8695.77   0.0000   0.0000  2015.65  8695.77  ?   ?    84.040   40.777 0.000000 40.77654 
1 1 1  -90   12    7 o   78.200   38.635 -356.2617  8956.08   0.0000   0.0000 -356.2617  8956.08  ?   ?    78.200   38.635 0.000000 38.63543 
1 1 1  -90   12    8 o   62.712   11.307  1731.70  554.594  481.132  1483.69  1934.81  597.938   48.624   20.888   66.275   11.530 -17.65055 23.85942 
1 1 1  -90   12    9 o  159.950   13.776 11460.14  1771.67  4371.20  3407.26 14086.96  2074.10   79.247   32.694  176.411   14.611 -97.16451 35.81063 
1 1 1  -90   12   10 o   91.772   12.037  3759.39  875.285  784.082  2071.72  4405.88  965.708   53.594   23.803   99.293   12.237 -45.69894 26.76443 
1 1 1  -90   12   11 o   24.468   10.804 -61.2350  420.833 -458.4708  1757.37 -37.0698  433.445   43.031   20.138   25.152   11.041 17.87891 22.96623 
1 1 1  -90   12   12 o   22.870   10.459 -207.9503  435.066 -1887.6980  1747.97 -97.0173  449.203   36.126   17.692   24.592   10.992 11.53465 20.82880 
1 1 1  -90   12   13 o   46.190   16.084  1108.10  739.887  1125.32  1889.94  1104.98  804.064   48.999   22.168   46.061   16.692 2.937523 27.74943 
1 1 1  -90   12   14 o   26.351   12.175 -227.0200  611.047 -438.5926  1895.46 -202.4821  645.510   39.610   19.176   27.263   12.567 12.34757 22.92715 
1 1 1  -90   14    1 o   70.653   33.248 -872.8582  4903.43   0.0000   0.0000 -872.8582  4903.43  ?   ?    70.653   33.248 0.000000 33.24759 
1 1 1  -90   14    2 o  104.658   44.107  8361.72  6400.45   0.0000   0.0000  8361.72  6400.45  ?   ?   104.658   44.107 0.000000 44.10737 
1 1 1  -90   14    3 o   70.159   34.245 -3647.8879  6390.34   0.0000   0.0000 -3647.8879  6390.34  ?   ?    70.159   34.245 0.000000 34.24502 
1 1 1  -90   14    4 o   80.388   38.422  1083.77  7063.06   0.0000   0.0000  1083.77  7063.06  ?   ?    80.388   38.422 0.000000 38.42180 
1 1 1  -90   14    5 o   98.342   46.380 10801.40  9639.84   0.0000   0.0000 10801.40  9639.84  ?   ?    98.342   46.380 0.000000 46.38045 
1 1 1  -90   14    6 o  103.293   49.377 18743.18 11674.82   0.0000   0.0000 18743.18 11674.82  ?   ?   103.293   49.377 0.000000 49.37738 
1 1 1  -90   14    7 o   66.497   33.873 -12081.9404 10191.86   0.0000   0.0000 -12081.9404 10191.86  ?   ?    66.497   33.873 0.000000 33.87265 
1 1 1  -90   14    8 o   84.382   11.245  3122.40  751.248   0.0000   0.0000  3122.40  751.248  ?   ?    84.382   11.245 0.000000 11.24450 
1 1 1  -90   14    9 o   95.985   11.145  4056.11  852.466  2336.59  2465.67  4289.55  908.490   64.852   27.356   98.436   11.588 -33.58430 29.70954 
1 1 1  -90   14   10 o   31.061   11.901  334.837  420.015   0.0000   0.0000  334.837  420.015  ?   ?    31.061   11.901 0.000000 11.90061 
1 1 1  -90   14   11 o   76.278   11.992  2675.44  718.241  3387.36  2452.25  2608.64  751.184   66.624   27.632   74.681   12.851 -8.057564 30.47413 
1 1 1  -90   14   12 o   62.906   13.610  1937.78  674.945  2724.03  2528.98  1877.48  700.348   58.776   26.190   61.317   14.325 -2.540936 29.85201 
1 1 1  -90   14   13 o   29.004   12.486  145.134  532.173  2041.30  2534.89   57.709  544.303   51.903   24.257   28.128   12.359 23.77495 27.22415 
1 1 1  -90   16    1 o   82.734   37.417  3334.57  5378.68   0.0000   0.0000  3334.57  5378.68  ?   ?    82.734   37.417 0.000000 37.41687 
1 1 1  -90   16    2 o   89.963   40.969  5640.04  6587.43   0.0000   0.0000  5640.04  6587.43  ?   ?    89.963   40.969 0.000000 40.96933 
1 1 1  -90   16    3 o   97.438   44.363  9284.18  7718.13   0.0000   0.0000  9284.18  7718.13  ?   ?    97.438   44.363 0.000000 44.36308 
1 1 1  -90   16    4 o   82.370   39.815  3510.82  8092.19   0.0000   0.0000  3510.82  8092.19  ?   ?    82.370   39.815 0.000000 39.81458 
1 1 1  -90   16    5 o   70.767   35.396 -3805.1790  8503.22   0.0000   0.0000 -3805.1790  8503.22  ?   ?    70.767   35.396 0.000000 35.39616 
1 1 1  -90   16    6 o   90.513   44.830 16682.69 12330.81   0.0000   0.0000 16682.69 12330.81  ?   ?    90.513   44.830 0.000000 44.82985 
1 1 1  -90   16    7 o   72.944   36.794  1445.82 10227.72   0.0000   0.0000  1445.82 10227.72  ?   ?    72.944   36.794 0.000000 36.79440 
1 1 1  -90   16    8 o   60.592   31.052 -11354.0303  9814.42   0.0000   0.0000 -11354.0303  9814.42  ?   ?    60.592   31.052 0.000000 31.05227 
1 1 1  -90   16    9 o   66.555   11.276  1996.41  587.595   0.0000   0.0000  1996.41  587.595  ?   ?    66.555   11.276 0.000000 11.27575 
1 1 1  -90   16   10 o   35.514   12.093  556.134  417.425   0.0000   0.0000  556.134  417.425  ?   ?    35.514   12.093 0.000000 12.09255 
1 1 1  -90   16   11 o   76.093   13.451  2793.77  800.651   0.0000   0.0000  2793.77  800.651  ?   ?    76.093   13.451 0.000000 13.45058 
1 1 1  -90   16   12 o   22.724   10.381 -168.2792  427.217   0.0000   0.0000 -168.2792  427.217  ?   ?    22.724   10.381 0.000000 10.38133 
1 1 1  -90   18    1 o   50.430   25.323 -8127.7412  4561.27   0.0000   0.0000 -8127.7412  4561.27  ?   ?    50.430   25.323 0.000000 25.32311 
1 1 1  -90   18    2 o   85.263   40.303  6182.36  7353.59   0.0000   0.0000  6182.36  7353.59  ?   ?    85.263   40.303 0.000000 40.30272 
1 1 1  -90   18    3 o   99.704   47.480 18349.76 10581.84   0.0000   0.0000 18349.76 10581.84  ?   ?    99.704   47.480 0.000000 47.48004 
1 1 1  -90   18    4 o   84.080   41.283  8905.99  9709.36   0.0000   0.0000  8905.99  9709.36  ?   ?    84.080   41.283 0.000000 41.28290 
1 1 1  -90   18    5 o   70.751   35.900 -2077.8530 10672.62   0.0000   0.0000 -2077.8530 10672.62  ?   ?    70.751   35.900 0.000000 35.90014 
1 1 1  -90   18    6 f   64.872   33.062 -5835.9790  9816.53   0.0000   0.0000 -5835.9790  9816.53  ?   ?    64.872   33.062 0.000000 33.06243 
1 1 1  -90   18    7 o   70.554   36.062  6186.79 12419.71   0.0000   0.0000  6186.79 12419.71  ?   ?    70.554   36.062 0.000000 36.06195 
1 1 1  -90   18    8 o   61.247   31.518 -5813.1011 11805.45   0.0000   0.0000 -5813.1011 11805.45  ?   ?    61.247   31.518 0.000000 31.51755 
1 1 1  -90   18    9 o   56.059   29.090 -20156.2598 14997.11   0.0000   0.0000 -20156.2598 14997.11  ?   ?    56.059   29.090 0.000000 29.09015 
1 1 1  -90   18   10 o   39.568   12.208  743.443  431.386   0.0000   0.0000  743.443  431.386  ?   ?    39.568   12.208 0.000000 12.20807 
1 1 1  -90   20    1 o   75.773   36.742  4101.35  7030.55   0.0000   0.0000  4101.35  7030.55  ?   ?    75.773   36.742 0.000000 36.74210 
1 1 1  -90   20    2 o   89.811   43.300 15087.57  9423.04   0.0000   0.0000 15087.57  9423.04  ?   ?    89.811   43.300 0.000000 43.30002 
1 1 1  -90   20    3 o   73.606   36.652  4238.33  8686.09   0.0000   0.0000  4238.33  8686.09  ?   ?    73.606   36.652 0.000000 36.65173 
1 1 1  -90   20    4 o   70.953   35.893  3386.15 10149.49   0.0000   0.0000  3386.15 10149.49  ?   ?    70.953   35.893 0.000000 35.89259 
1 1 1  -90   20    5 o   66.426   33.913 -49.1095 10697.52   0.0000   0.0000 -49.1095 10697.52  ?   ?    66.426   33.913 0.000000 33.91254 
1 1 1  -90   20    6 o   72.803   37.340 20872.00 14505.32   0.0000   0.0000 20872.00 14505.32  ?   ?    72.803   37.340 0.000000 37.33962 
1 1 1  -90   20    7 o   64.139   33.081  7626.99 14269.37   0.0000   0.0000  7626.99 14269.37  ?   ?    64.139   33.081 0.000000 33.08102 
1 1 1  -89    1    1 o   84.402   9.3039  2971.58  627.018  3090.05  648.664  1284.87  2447.56   86.055   9.4382   68.012   27.843 18.04367 29.39934 
1 1 1  -89    1    2 o  108.768   7.4955  4876.33  657.935  3889.07  945.262  5804.08  916.333   95.748   12.453  118.161   9.6347 -22.41268 15.74528 
1 1 1  -89    1    3 o   47.798   8.0246  963.987  300.401  759.976  460.258  1115.39  396.500   42.255   12.522   51.089   9.9159 -8.833645 15.97272 
1 1 1  -89    1    4 o   80.135   7.7877  2664.28  500.320  2748.84  749.744  2596.39  671.777   80.320   11.852   78.315   10.856 2.004745 16.07278 
1 1 1  -89    1    5 o   83.284   8.4488  2889.38  563.434  2722.46  821.334  3037.76  774.370   79.400   13.203   84.512   11.590 -5.112396 17.56872 
1 1 1  -89    1    6 f   34.037   11.804  444.296  398.353  1421.73  662.111 -110.2257  498.709   56.686   14.367   26.823   11.807 29.86304 18.59579 
1 1 1  -89    1    7 o   40.591   12.699  697.267  464.930  516.492  670.690  864.499  645.079   39.660   15.075   45.448   15.028 -5.788288 21.28618 
1 1 1  -89    1    8 o   47.193   13.720  978.631  557.196  878.644  842.263  1056.44  743.023   47.279   17.091   49.453   16.118 -2.173988 23.49224 
1 1 1  -89    1    9 o  102.861   11.143  4521.50  915.748  4595.56  1286.40  4445.42  1303.91  101.037   16.230   98.990   16.825 2.046677 23.37676 
1 1 1  -89    1   10 o   29.155   12.494   29.522  528.439   62.358  754.039  -2.1696  740.788   34.593   14.877   33.613   14.600 0.9807091 20.84400 
1 1 1  -89    1   11 o   62.600   14.995  1811.94  752.129  122.863  1089.50  3349.80  1039.59   40.674   17.686   85.349   15.575 -44.67537 23.56650 
1 1 1  -89    1   12 o   38.932   15.411  494.720  722.945 -565.9900  1127.91  1234.36  941.857   35.537   16.462   51.601   18.137 -16.06402 24.49375 
1 1 1  -89    1   13 o   31.132   13.848 -84.9751  703.741 -780.1509  1055.39  471.584  944.326   32.478   15.326   40.963   17.081 -8.485935 22.94895 
1 1 1  -89    1   14 o   60.506   17.391  1906.93  899.796  828.853  1374.51  2715.39  1190.29   47.184   20.183   69.993   19.965 -22.80891 28.38943 
1 1 1  -89    1   15 o   68.702   20.586  2847.48  1238.83  2445.14  1856.31  3170.56  1663.45   58.634   24.154   66.945   24.042 -8.310848 34.08004 
1 1 1  -89    1   16 o   52.640   20.949  1914.59  1342.63  1582.14  1964.55  2205.96  1839.18   48.949   22.323   52.956   23.003 -4.006638 32.05394 
1 1 1  -89    3    1 o  163.020   13.021 11192.59  1709.12 11192.59  1709.12   0.0000   0.0000  163.020   13.021  ?   ?  0.000000 13.02065 
1 1 1  -89    3    2 o   84.515   11.441  3022.45  764.965  3022.45  764.965   0.0000   0.0000   84.515   11.441  ?   ?  0.000000 11.44138 
1 1 1  -89    3    3 o  140.436   12.686  8327.63  1431.01  8192.90  1501.00  9672.22  4741.81  138.949   13.473  130.552   40.507 8.397827 42.68920 
1 1 1  -89    3    4 o  200.081   14.644 17078.07  2362.50  8033.23  5715.04 18942.25  2594.56  115.503   43.982  210.308   15.299 -94.80512 46.56705 
1 1 1  -89    3    5 o  209.677   11.910 18486.03  2019.37 16809.02  2931.21 20000.95  2785.95  195.049   18.739  215.152   16.063 -20.10274 24.68143 
1 1 1  -89    3    6 o  198.878   11.388 16628.29  1831.33 15716.60  2680.29 17426.58  2508.07  188.855   17.685  200.725   15.509 -11.86964 23.52192 
1 1 1  -89    3    7 o   98.008   9.5587  4032.71  750.994  3494.43  1191.98  4387.02  967.072   87.986   17.301  101.345   11.984 -13.35931 21.04657 
1 1 1  -89    3    8 o  149.997   11.294  9538.82  1365.46  6829.73  2077.31 11599.82  1811.89  119.797   22.172  163.870   13.744 -44.07219 26.08688 
1 1 1  -89    3    9 o   42.684   13.890  776.476  551.917  1006.47  950.752  659.576  677.817   49.817   18.136   41.751   15.295 8.066216 23.72443 
1 1 1  -89    3   10 o   27.031   12.198 -232.6272  568.046  150.884  941.615 -452.0559  712.248   38.932   16.680   28.606   13.192 10.32594 21.26625 
1 1 1  -89    3   11 o   91.234   13.146  3701.71  945.727  3597.98  1499.10  3770.27  1218.89   83.890   21.807   89.310   17.434 -5.420677 27.91900 
1 1 1  -89    3   12 o   45.238   16.257  886.371  760.681 -352.2322  1298.36  1533.74  938.651   39.488   18.062   56.145   18.101 -16.65672 25.57114 
1 1 1  -89    3   13 o   26.764   12.640 -632.3987  720.427 -487.6198  1177.48 -719.0244  910.801   36.193   16.785   30.164   14.235 6.028309 22.00880 
1 1 1  -89    3   14 o   43.404   16.955  816.712  864.984 -880.0964  1421.43  1814.59  1090.05   36.535   17.399   57.469   19.541 -20.93382 26.16491 
1 1 1  -89    3   15 o   44.572   17.857  961.018  982.114  4615.94  1812.45 -558.2570  1168.54   80.588   25.050   33.932   16.047 46.65636 29.74904 
1 1 1  -89    3   16 o   25.713   12.589 -1142.3250  883.356  213.980  1786.43 -1581.2880  1016.30   41.478   19.682   26.073   12.906 15.40562 23.53582 
1 1 1  -89    5    1 o  161.502   11.634 10916.54  1515.35 10088.70  1616.18 16937.04  4358.46  154.654   12.991  187.911   29.540 -33.25732 32.27050 
1 1 1  -89    5    2 o   38.490   12.939  588.512  477.851  648.283  482.249 -2643.7629  3546.35   39.854   12.985   59.202   27.985 -19.34834 30.85075 
1 1 1  -89    5    3 o   79.395   14.038  2733.77  871.903  2746.24  891.097  2453.68  4223.58   79.479   14.336   84.622   35.756 -5.143402 38.52243 
1 1 1  -89    5    4 o   93.381   14.195  3769.97  1042.38  3579.57  1064.07  8297.02  5188.58   90.643   14.981  117.394   42.423 -26.75067 44.99028 
1 1 1  -89    5    5 o   81.280   8.7028  2759.89  565.426  1661.09  1040.82  3219.93  673.469   61.065   18.983   87.601   9.6271 -26.53574 21.28462 
1 1 1  -89    5    6 o  138.806   12.579  8201.10  1402.35  3932.04  5140.38  8544.37  1457.64   91.225   39.026  141.578   12.819 -50.35297 41.07755 
1 1 1  -89    5    7 o   53.923   10.631  1257.46  448.905  1967.88  973.416  1065.56  505.914   65.554   17.820   49.205   12.606 16.34817 21.82822 
1 1 1  -89    5    8 o   37.420   12.309  578.370  433.016 -87.7231  961.074  748.027  485.036   37.389   16.425   41.735   12.956 -4.346218 20.92028 
1 1 1  -89    5    9 o   33.841   11.923  441.138  407.267 -23.5275  1153.73  507.282  435.290   41.006   18.006   35.718   12.342 5.287636 21.82994 
1 1 1  -89    5   10 o   46.713   12.937  977.184  507.527 -253.3567  1187.74  1252.05  561.356   39.385   17.718   52.708   13.158 -13.32288 22.06948 
1 1 1  -89    5   11 o   43.492   14.810  819.494  626.087  1343.66  1296.24  660.003  715.023   55.103   20.955   41.558   15.618 13.54452 26.13519 
1 1 1  -89    5   12 o   82.488   15.312  3190.20  987.835  2207.53  1625.88  3765.20  1243.70   64.046   23.653   87.562   18.091 -23.51608 29.77857 
1 1 1  -89    5   13 o   51.028   17.735  1279.02  899.400 -706.2612  1484.19  2431.12  1130.64   38.944   18.315   67.660   19.508 -28.71586 26.75843 
1 1 1  -89    5   14 o   60.955   17.895  1987.91  943.778  1352.05  1667.78  2287.45  1144.69   52.148   22.267   63.527   19.934 -11.37886 29.88619 
1 1 1  -89    5   15 o   30.162   14.029 -331.3303  831.857 -2258.6121  1539.46  463.483  988.616   31.574   15.673   39.023   16.908 -7.449459 23.05469 
1 1 1  -89    5   16 o   68.306   20.836  3167.77  1260.84  3001.71  2499.62  3224.44  1460.22   53.705   24.747   64.916   22.596 -11.21078 33.51106 
1 1 1  -89    7    1 o  152.199   41.629 13203.98  5293.03   0.0000   0.0000 13203.98  5293.03  ?   ?   152.199   41.629 0.000000 41.62926 
1 1 1  -89    7    2 o  112.717   41.305  7259.34  4943.62   0.0000   0.0000  7259.34  4943.62  ?   ?   112.717   41.305 0.000000 41.30537 
1 1 1  -89    7    3 o   82.886   36.251  1810.16  4635.52   0.0000   0.0000  1810.16  4635.52  ?   ?    82.886   36.251 0.000000 36.25107 
1 1 1  -89    7    4 o   46.605   15.198  909.769  660.663  946.614  665.838 -1432.7560  5309.13   47.341   15.243   74.528   34.919 -27.18708 38.10085 
1 1 1  -89    7    5 o  104.816   15.605  4815.77  1287.60  4840.78  1315.20  4238.58  6318.57  104.933   15.937   95.184   41.956 9.748825 44.88090 
1 1 1  -89    7    6 o   84.927   9.1225  3026.76  619.214  1237.79  1142.77  3770.32  736.744   55.124   19.911   94.692   9.7200 -39.56888 22.15679 
1 1 1  -89    7    7 o  113.520   11.153  5473.57  1014.78  4782.56  5593.60  5497.08  1031.90   92.286   40.101  113.687   11.330 -21.40041 41.67089 
1 1 1  -89    7    8 o   41.828   10.854  765.412  371.813  1006.11  978.700  724.812  401.949   50.125   18.377   40.775   11.592 9.350304 21.72758 
1 1 1  -89    7    9 o   76.861   10.751  2544.73  652.604  1946.94  1297.12  2747.32  755.138   63.845   21.319   79.334   12.106 -15.48949 24.51627 
1 1 1  -89    7   10 o   94.898   10.992  3890.31  831.309  2489.53  1503.43  4507.20  997.707   69.776   22.936  101.451   12.368 -31.67552 26.05771 
1 1 1  -89    7   11 o   55.545   13.961  1424.94  628.909  627.994  1210.71  1719.46  735.998   46.526   19.366   60.609   15.029 -14.08328 24.51353 
1 1 1  -89    7   12 f   95.504   12.972  4125.70  979.871  3974.64  1620.05  4212.85  1230.46   84.673   22.978   93.439   16.838 -8.766052 28.48633 
1 1 1  -89    7   13 o   39.331   15.357  594.888  709.321 -736.4790  1264.09  1206.75  856.951   35.593   16.789   49.538   17.306 -13.94424 24.11190 
1 1 1  -89    7   14 o   66.989   17.769  2413.02  982.393  953.114  1490.59  3534.11  1306.22   47.748   20.724   78.605   20.318 -30.85789 29.02255 
1 1 1  -89    7   15 o   40.149   16.651  684.773  890.502 -34.6227  1502.44  1074.35  1105.64   39.613   18.565   45.392   18.663 -5.779255 26.32454 
1 1 1  -89    7   16 o   41.347   17.007  920.903  918.564 -53.6628  1474.94  1538.40  1174.04   37.377   17.779   47.845   19.399 -10.46799 26.31329 
1 1 1  -89    9    1 o   95.576   37.364  4542.04  4202.98   0.0000   0.0000  4542.04  4202.98  ?   ?    95.576   37.364 0.000000 37.36441 
1 1 1  -89    9    2 o   70.809   32.424 -559.5120  4199.82   0.0000   0.0000 -559.5120  4199.82  ?   ?    70.809   32.424 0.000000 32.42403 
1 1 1  -89    9    3 o  203.824   50.725 27749.63  8361.44   0.0000   0.0000 27749.63  8361.44  ?   ?   203.824   50.725 0.000000 50.72499 
1 1 1  -89    9    4 o  192.903   57.501 29814.66  9684.15   0.0000   0.0000 29814.66  9684.15  ?   ?   192.903   57.501 0.000000 57.50132 
1 1 1  -89    9    5 o  187.219   63.262 34927.16 11423.34   0.0000   0.0000 34927.16 11423.34  ?   ?   187.219   63.262 0.000000 63.26177 
1 1 1  -89    9    6 o   95.081   9.2126  3794.20  702.321  1997.71  1320.95  4502.17  829.239   65.746   21.493  103.355   10.007 -37.60876 23.70848 
1 1 1  -89    9    7 o   68.853   9.4030  2012.81  511.944  809.268  1064.49  2374.94  583.905   48.506   18.848   74.732   9.8638 -26.22542 21.27307 
1 1 1  -89    9    8 o  105.967   11.196  4810.33  948.773   0.0000   0.0000  4810.33  948.773  ?   ?   105.967   11.196 0.000000 11.19647 
1 1 1  -89    9    9 o  182.945   13.472 14657.02  1987.06 10487.94  3205.58 17258.63  2532.26  136.828   29.705  195.627   16.084 -58.79880 33.78013 
1 1 1  -89    9   10 o   64.045   12.709  1841.97  637.578  3306.38  1374.54  1440.52  719.684   80.917   20.805   55.572   15.411 25.34464 25.89116 
1 1 1  -89    9   11 o   45.758   14.676  955.878  617.665  2399.36  1403.58  609.203  687.849   67.080   22.166   40.108   15.262 26.97150 26.91236 
1 1 1  -89    9   12 o   74.750   13.432  2585.85  785.256  804.425  1617.43  3135.24  898.217   49.998   21.644   82.066   13.981 -32.06795 25.76718 
1 1 1  -89    9   13 o   74.298   15.786  2740.58  922.975  2930.18  1753.83  2667.95  1085.44   66.984   24.594   70.599   18.655 -3.615448 30.86847 
1 1 1  -89    9   14 o   30.864   13.878 -54.9146  727.688  722.892  1587.50 -261.8190  818.774   45.790   20.551   30.680   14.147 15.10961 24.94967 
1 1 1  -89    9   15 o   34.161   15.070  232.375  816.964  1413.27  1785.39 -80.3641  918.796   48.161   21.690   32.788   15.070 15.37292 26.41101 
1 1 1  -89   11    1 o   94.875   37.355  4648.61  4226.44   0.0000   0.0000  4648.61  4226.44  ?   ?    94.875   37.355 0.000000 37.35453 
1 1 1  -89   11    2 o   69.695   31.962 -459.1008  4102.25   0.0000   0.0000 -459.1008  4102.25  ?   ?    69.695   31.962 0.000000 31.96241 
1 1 1  -89   11    3 o  152.392   53.094 18759.96  8063.18   0.0000   0.0000 18759.96  8063.18  ?   ?   152.392   53.094 0.000000 53.09409 
1 1 1  -89   11    5 o   87.248   40.724  2270.64  7108.26   0.0000   0.0000  2270.64  7108.26  ?   ?    87.248   40.724 0.000000 40.72379 
1 1 1  -89   11    6 o   87.165   42.018  1726.05  8865.39   0.0000   0.0000  1726.05  8865.39  ?   ?    87.165   42.018 0.000000 42.01811 
1 1 1  -89   11    7 o   43.835   12.190  846.885  449.611   0.0000   0.0000  846.885  449.611  ?   ?    43.835   12.190 0.000000 12.18985 
1 1 1  -89   11    8 o   35.016   11.272  515.428  364.130 -712.4914  1098.44  667.023  385.953   34.723   16.141   39.084   11.435 -4.360302 19.78089 
1 1 1  -89   11    9 o  151.374   14.069 10196.25  1709.40   0.0000   0.0000 10196.25  1709.40  ?   ?   151.374   14.069 0.000000 14.06862 
1 1 1  -89   11   10 o   73.478   12.308  2412.59  708.330  889.253  1694.02  2735.36  779.769   52.873   22.506   78.093   12.737 -25.22040 25.85970 
1 1 1  -89   11   11 o   87.205   11.799  3392.82  814.003  332.444  1859.63  4118.17  905.344   49.210   22.151   96.150   11.847 -46.93914 25.12056 
1 1 1  -89   11   12 o   23.487   10.644 -174.4622  437.895 -3284.8081  1347.38  192.861  463.031   27.250   13.694   29.274   12.062 -2.023233 18.24896 
1 1 1  -89   11   13 o   45.533   16.279  1024.33  761.779 -2073.7549  1687.97  1816.70  853.655   34.601   17.033   58.622   16.965 -24.02102 24.04023 
1 1 1  -89   11   14 o   39.774   15.370  734.878  704.912  708.697  1798.86  739.628  766.191   45.579   20.999   40.189   15.879 5.389305 26.32689 
1 1 1  -89   11   15 o   24.700   11.871 -647.0591  695.189 -282.6286  1829.49 -708.5606  751.564   39.004   18.872   25.419   12.249 13.58443 22.49815 
1 1 1  -89   13    1 o   98.483   39.523  5616.28  4820.05   0.0000   0.0000  5616.28  4820.05  ?   ?    98.483   39.523 0.000000 39.52345 
1 1 1  -89   13    2 o  112.400   44.498  8901.80  6028.12   0.0000   0.0000  8901.80  6028.12  ?   ?   112.400   44.498 0.000000 44.49770 
1 1 1  -89   13    3 o   89.088   39.840  3582.96  5908.84   0.0000   0.0000  3582.96  5908.84  ?   ?    89.088   39.840 0.000000 39.84026 
1 1 1  -89   13    4 o  ?   ?  -18078.2207  3998.85   0.0000   0.0000 -18078.2207  3998.85  ?   ?   ?   ?  0.000000      ? 
1 1 1  -89   13    5 o   55.187   27.892 -13123.8301  6046.39   0.0000   0.0000 -13123.8301  6046.39  ?   ?    55.187   27.892 0.000000 27.89165 
1 1 1  -89   13    6 o   61.813   31.143 -11450.5195  7209.51   0.0000   0.0000 -11450.5195  7209.51  ?   ?    61.813   31.143 0.000000 31.14284 
1 1 1  -89   13    7 o   93.011   44.935  9417.00 10273.61   0.0000   0.0000  9417.00 10273.61  ?   ?    93.011   44.935 0.000000 44.93463 
1 1 1  -89   13    8 o  107.367   10.838  4968.05  931.938  3016.00  2318.02  5344.41  1017.82   73.765   28.029  111.026   11.455 -37.26073 30.27984 
1 1 1  -89   13    9 o  138.471   12.760  8484.20  1418.55  2995.16  2990.05 10078.50  1611.45   71.637   30.167  150.443   13.330 -78.80573 32.98052 
1 1 1  -89   13   10 f  118.550   12.369  6269.05  1173.09  517.257  2750.94  7547.47  1296.93   56.154   25.906  130.104   12.428 -73.95053 28.73274 
1 1 1  -89   13   11 o   80.551   12.352  2957.09  782.122 -3176.5491  2244.26  3805.01  834.434   38.514   19.085   92.247   11.382 -53.73230 22.22081 
1 1 1  -89   13   12 f   57.537   15.102  1652.74  714.438 -818.9867  2192.08  1946.50  755.701   43.949   21.111   62.611   15.051 -18.66236 25.92690 
1 1 1  -89   13   13 o  101.379   13.245  4939.44  1064.22  2984.17  2622.08  5325.05  1164.44   59.064   26.467  104.238   14.121 -45.17432 29.99904 
1 1 1  -89   13   14 o   58.528   17.777  2029.58  919.214  2472.08  2609.98  1966.92  982.141   52.503   24.562   56.573   18.535 -4.070202 30.77090 
1 1 1  -89   15    1 o  120.044   47.256 11918.98  6763.02   0.0000   0.0000 11918.98  6763.02  ?   ?   120.044   47.256 0.000000 47.25617 
1 1 1  -89   15    2 o   72.922   34.350 -476.0911  5258.54   0.0000   0.0000 -476.0911  5258.54  ?   ?    72.922   34.350 0.000000 34.35009 
1 1 1  -89   15    3 o  133.224   53.211 19008.00  8690.82   0.0000   0.0000 19008.00  8690.82  ?   ?   133.224   53.211 0.000000 53.21062 
1 1 1  -89   15    4 o   98.402   45.141  8598.89  8191.65   0.0000   0.0000  8598.89  8191.65  ?   ?    98.402   45.141 0.000000 45.14150 
1 1 1  -89   15    5 o   85.007   41.207  3351.27  8824.68   0.0000   0.0000  3351.27  8824.68  ?   ?    85.007   41.207 0.000000 41.20675 
1 1 1  -89   15    6 o   85.323   41.885  5150.15  9980.52   0.0000   0.0000  5150.15  9980.52  ?   ?    85.323   41.885 0.000000 41.88543 
1 1 1  -89   15    7 o   69.288   35.213 -8995.9102 10556.79   0.0000   0.0000 -8995.9102 10556.79  ?   ?    69.288   35.213 0.000000 35.21349 
1 1 1  -89   15    8 o   76.843   38.836  4083.45 11719.58   0.0000   0.0000  4083.45 11719.58  ?   ?    76.843   38.836 0.000000 38.83601 
1 1 1  -89   15    9 o   92.854   10.480  3765.49  776.330  4285.87  2678.08  3717.74  811.159   78.454   30.052   91.877   11.098 -13.42258 32.03595 
1 1 1  -89   15   10 o   78.421   11.287  2754.50  697.985   0.0000   0.0000  2754.50  697.985  ?   ?    78.421   11.287 0.000000 11.28680 
1 1 1  -89   15   11 o  162.240   14.839 12632.68  1933.20  7820.03  4199.47 13926.80  2177.67   79.185   34.572  168.044   16.159 -88.85884 38.16171 
1 1 1  -89   15   12 o   35.975   13.997  521.979  587.668  1221.86  2528.80  482.024  604.209   51.695   24.182   35.521   14.080 16.17461 27.98221 
1 1 1  -89   15   13 o   28.868   12.286  172.731  504.764 -1294.3790  2752.60  223.782  513.471   42.307   20.994   29.758   12.515 12.54905 24.44077 
1 1 1  -89   17    1 o   97.703   42.216  7605.06  6129.46   0.0000   0.0000  7605.06  6129.46  ?   ?    97.703   42.216 0.000000 42.21592 
1 1 1  -89   17    2 o  106.138   46.372 11550.02  7567.58   0.0000   0.0000 11550.02  7567.58  ?   ?   106.138   46.372 0.000000 46.37223 
1 1 1  -89   17    3 o  101.382   46.135 11539.13  8333.24   0.0000   0.0000 11539.13  8333.24  ?   ?   101.382   46.135 0.000000 46.13490 
1 1 1  -89   17    4 o   72.167   35.612 -2074.9380  7530.72   0.0000   0.0000 -2074.9380  7530.72  ?   ?    72.167   35.612 0.000000 35.61219 
1 1 1  -89   17    5 o   88.054   42.793  9057.88  9681.17   0.0000   0.0000  9057.88  9681.17  ?   ?    88.054   42.793 0.000000 42.79307 
1 1 1  -89   17    6 o   81.608   40.572  7181.98 10471.11   0.0000   0.0000  7181.98 10471.11  ?   ?    81.608   40.572 0.000000 40.57175 
1 1 1  -89   17    7 o   67.468   34.221 -4107.3452  9632.51   0.0000   0.0000 -4107.3452  9632.51  ?   ?    67.468   34.221 0.000000 34.22091 
1 1 1  -89   17    8 o   77.964   39.670 16977.84 13697.59   0.0000   0.0000 16977.84 13697.59  ?   ?    77.964   39.670 0.000000 39.67033 
1 1 1  -89   17    9 o   49.852   11.504  1140.03  456.207   0.0000   0.0000  1140.03  456.207  ?   ?    49.852   11.504 0.000000 11.50421 
1 1 1  -89   17   10 o   96.717   11.511  4246.06  886.233   0.0000   0.0000  4246.06  886.233  ?   ?    96.717   11.511 0.000000 11.51125 
1 1 1  -89   17   11 o   95.294   12.828  4304.53  967.324   0.0000   0.0000  4304.53  967.324  ?   ?    95.294   12.828 0.000000 12.82757 
1 1 1  -89   19    1 o   83.774   39.151  5307.08  6601.90   0.0000   0.0000  5307.08  6601.90  ?   ?    83.774   39.151 0.000000 39.15074 
1 1 1  -89   19    2 o   81.845   39.130  4957.92  7337.97   0.0000   0.0000  4957.92  7337.97  ?   ?    81.845   39.130 0.000000 39.13040 
1 1 1  -89   19    3 o   55.648   28.095 -9366.3574  6040.81   0.0000   0.0000 -9366.3574  6040.81  ?   ?    55.648   28.095 0.000000 28.09535 
1 1 1  -89   19    4 o   96.109   46.673 21220.94 11458.70   0.0000   0.0000 21220.94 11458.70  ?   ?    96.109   46.673 0.000000 46.67294 
1 1 1  -89   19    5 o   81.289   40.609 11138.96 11036.15   0.0000   0.0000 11138.96 11036.15  ?   ?    81.289   40.609 0.000000 40.60850 
1 1 1  -89   19    6 o   84.511   42.678 25527.91 13989.80   0.0000   0.0000 25527.91 13989.80  ?   ?    84.511   42.678 0.000000 42.67790 
1 1 1  -89   19    7 o   63.168   32.419 -5721.1040 11124.53   0.0000   0.0000 -5721.1040 11124.53  ?   ?    63.168   32.419 0.000000 32.41906 
1 1 1  -89   19    8 o   60.691   31.348 -8895.8281 13769.04   0.0000   0.0000 -8895.8281 13769.04  ?   ?    60.691   31.348 0.000000 31.34816 
1 1 1  -89   19    9 o   58.657   30.370 -4079.5801 13994.45   0.0000   0.0000 -4079.5801 13994.45  ?   ?    58.657   30.370 0.000000 30.36980 
1 1 1  -89   19   10 o   46.833   12.197  1056.82  468.427   0.0000   0.0000  1056.82  468.427  ?   ?    46.833   12.197 0.000000 12.19734 
1 1 1  -89   21    1 o   65.675   32.536 -1109.4840  6509.19   0.0000   0.0000 -1109.4840  6509.19  ?   ?    65.675   32.536 0.000000 32.53584 
1 1 1  -89   21    2 o   81.335   39.852  9899.41  8901.96   0.0000   0.0000  9899.41  8901.96  ?   ?    81.335   39.852 0.000000 39.85228 
1 1 1  -89   21    3 o   65.458   32.973 -1924.8260  8057.97   0.0000   0.0000 -1924.8260  8057.97  ?   ?    65.458   32.973 0.000000 32.97255 
1 1 1  -89   21    4 o   78.235   39.490 15482.01 11892.49   0.0000   0.0000 15482.01 11892.49  ?   ?    78.235   39.490 0.000000 39.48962 
1 1 1  -89   21    5 o   59.877   30.722 -8763.5928  9925.39   0.0000   0.0000 -8763.5928  9925.39  ?   ?    59.877   30.722 0.000000 30.72243 
1 1 1  -89   21    6 o   69.157   35.534 14516.18 13935.01   0.0000   0.0000 14516.18 13935.01  ?   ?    69.157   35.534 0.000000 35.53370 
1 1 1  -89   21    7 o   58.888   30.414 -5393.2480 12887.98   0.0000   0.0000 -5393.2480 12887.98  ?   ?    58.888   30.414 0.000000 30.41379 
1 1 1  -88    0    1 o   82.626   36.030  4390.04  2510.34   0.0000   0.0000  4390.04  2510.34   82.626   36.030   82.626   36.030 -0.000000 0.000000 
1 1 1  -88    0    2 o   62.271   10.435  1716.27  483.075  1716.27  483.075   0.0000   0.0000   62.271   10.435   62.271   10.435 0.000000 0.000000 
1 1 1  -88    0    3 o  124.798   11.510  6568.23  1143.52  6568.23  1143.52   0.0000   0.0000  124.798   11.510  124.798   11.510 0.000000 0.000000 
1 1 1  -88    0    4 o  239.892   18.460 24601.34  3546.68   0.0000   0.0000 24601.34  3546.68  239.892   18.460  239.892   18.460 -0.000000 0.000000 
1 1 1  -88    0    5 o   42.377   16.036  1003.88  517.509   0.0000   0.0000  1003.88  517.509   42.377   16.036   42.377   16.036 -0.000000 0.000000 
1 1 1  -88    0    6 o  131.318   14.101  7386.21  1459.71  7386.21  1459.71   0.0000   0.0000  131.318   14.101  131.318   14.101 0.000000 0.000000 
1 1 1  -88    0    7 o  194.300   17.273 16197.81  2675.48   0.0000   0.0000 16197.81  2675.48  194.300   17.273  194.300   17.273 -0.000000 0.000000 
1 1 1  -88    0    8 o   39.417   20.370  972.545  838.265   0.0000   0.0000  972.545  838.265   39.417   20.370   39.417   20.370 -0.000000 0.000000 
1 1 1  -88    0    9 o   72.426   19.647  2627.43  998.709  2627.43  998.709   0.0000   0.0000   72.426   19.647   72.426   19.647 0.000000 0.000000 
1 1 1  -88    0   10 o   36.283   20.646  765.980  948.361  765.980  948.361   0.0000   0.0000   36.283   20.646   36.283   20.646 0.000000 0.000000 
1 1 1  -88    0   11 o   32.381   19.199  534.574  875.589   0.0000   0.0000  534.574  875.589   32.381   19.199   32.381   19.199 -0.000000 0.000000 
1 1 1  -88    0   12 o   47.249   24.136  1468.39  1168.94   0.0000   0.0000  1468.39  1168.94   47.249   24.136   47.249   24.136 -0.000000 0.000000 
1 1 1  -88    0   13 o  126.464   19.744  7364.71  1880.09   0.0000   0.0000  7364.71  1880.09  126.464   19.744  126.464   19.744 -0.000000 0.000000 
1 1 1  -88    0   14 o   70.138   26.874  2997.33  1445.69   0.0000   0.0000  2997.33  1445.69   70.138   26.874   70.138   26.874 -0.000000 0.000000 
1 1 1  -88    0   15 o   74.834   31.323  3781.49  1908.34  3781.49  1908.34   0.0000   0.0000   74.834   31.323   74.834   31.323 0.000000 0.000000 
1 1 1  -88    0   16 o   23.720   17.008 -2087.0339  1544.01 -2087.0339  1544.01   0.0000   0.0000   23.720   17.008   23.720   17.008 0.000000 0.000000 
1 1 1  -88    0   17 o   25.256   18.101 -2148.0620  1740.10   0.0000   0.0000 -2148.0620  1740.10   25.256   18.101   25.256   18.101 -0.000000 0.000000 
1 1 1  -88    2    1 o   93.271   24.197  4028.47  1848.20  5898.81  2449.88  1557.99  2815.63  111.586   27.270   73.004   29.873 38.58189 40.44791 
1 1 1  -88    2    2 o  123.084   24.984  7018.89  2411.57  6780.49  3024.63  7434.91  3995.52  117.164   31.227  118.872   37.233 -1.708122 48.59423 
1 1 1  -88    2    3 o  110.268   7.9204  5019.51  704.423  4357.49  1024.09  5614.03  970.481  101.346   12.726  115.974   10.417 -14.62813 16.44551 
1 1 1  -88    2    4 o   55.394   8.4136  1290.77  366.529  1438.60  592.796  1199.28  466.359   57.483   13.005   52.737   11.235 4.746189 17.18559 
1 1 1  -88    2    5 o   68.088   8.7417  1942.71  472.129  1757.34  771.135  2053.87  597.131   63.043   15.234   69.459   10.950 -6.416447 18.76147 
1 1 1  -88    2    6 o   75.196   9.2355  2374.10  552.035  3454.92  882.829  1680.17  707.391   89.888   12.428   61.703   14.385 28.18550 19.01006 
1 1 1  -88    2    7 o  134.102   9.7485  7515.37  1054.21  6360.25  1562.73  8480.07  1428.12  120.188   16.445  141.190   12.589 -21.00190 20.71043 
1 1 1  -88    2    8 o  141.003   10.646  8375.20  1209.88  8124.29  1805.31  8579.77  1630.12  135.342   16.788  140.612   14.485 -5.270264 22.17359 
1 1 1  -88    2    9 o   80.251   12.644  2804.25  796.617  1473.69  1162.16  3983.54  1094.09   57.869   20.157   94.951   14.663 -37.08259 24.92649 
1 1 1  -88    2   10 o   93.150   12.017  3759.26  887.692  3225.43  1348.64  4167.33  1179.14   81.669   20.398   96.188   15.634 -14.51862 25.70044 
1 1 1  -88    2   11 o  146.159   12.036  9255.23  1415.68  8023.29  2085.08 10308.82  1928.26  128.637   20.662  150.811   15.991 -22.17390 26.12715 
1 1 1  -88    2   12 o   52.845   16.131  1310.12  755.491  1646.54  1136.16  1043.47  1011.52   58.194   19.950   49.537   18.584 8.657036 27.26472 
1 1 1  -88    2   13 o   53.687   16.874  1400.71  819.886  815.429  1237.32  1858.86  1094.72   47.792   19.708   60.218   19.561 -12.42617 27.76712 
1 1 1  -88    2   14 o   48.337   16.154  1138.57  744.776  940.669  1340.23  1226.99  895.833   48.447   20.288   49.850   17.671 -1.403301 26.90451 
1 1 1  -88    2   15 o   34.774   15.274  153.619  830.794 -699.5416  1436.08  582.791  1018.54   36.919   17.556   41.228   17.497 -4.309052 24.78618 
1 1 1  -88    2   16 o   52.382   19.868  1727.80  1163.33  1232.50  1917.47  2016.31  1463.44   47.998   21.953   53.990   21.739 -5.992001 30.89527 
1 1 1  -88    2   17 o   48.602   20.584  1793.31  1405.05  1840.55  2072.86  1753.15  1911.07   47.228   22.026   47.010   21.653 0.2184448 30.88732 
1 1 1  -88    4    1 o  124.196   10.842  6438.35  1082.40  6311.22  1142.41  7553.85  3384.00  122.713   11.603  122.558   33.188 0.1547546 35.15813 
1 1 1  -88    4    2 o  174.038   13.060 12747.84  1832.11 13138.69  1961.68 10078.97  5126.11  176.336   13.811  133.406   42.226 42.92931 44.42715 
1 1 1  -88    4    3 o  131.284   12.303  7259.30  1296.20  7086.62  1344.57  9530.70  4876.54  129.446   12.967  129.750   41.198 -0.3042908 43.18998 
1 1 1  -88    4    4 o  195.852   11.136 16016.75  1763.53 14132.98  2558.38 17722.19  2434.27  180.159   17.718  203.926   14.802 -23.76668 23.08785 
1 1 1  -88    4    5 o   71.331   10.468  2156.91  588.243 -1670.4160  3205.48  2290.29  598.406   58.851   27.428   73.591   10.296 -14.74007 29.29731 
1 1 1  -88    4    6 o   35.925   11.143  539.350  358.852  287.977  721.630  621.934  413.619   37.338   15.183   38.493   11.967 -1.155079 19.33198 
1 1 1  -88    4    7 o   77.458   9.5330  2528.59  586.906  2693.46  1070.27  2457.69  701.844   77.058   17.504   75.625   11.816 1.432976 21.11912 
1 1 1  -88    4    8 o   57.494   11.477  1438.21  517.004  546.618  978.917  1783.10  608.844   44.513   17.830   63.954   12.169 -19.44178 21.58705 
1 1 1  -88    4    9 o   87.980   10.907  3309.06  762.458  1265.16  1313.56  4347.61  936.340   56.065   21.149  100.663   11.672 -44.59745 24.15604 
1 1 1  -88    4   10 o   82.598   11.854  2965.00  772.248  2409.41  1356.85  3231.21  939.206   70.055   21.657   85.215   14.065 -15.16017 25.82334 
1 1 1  -88    4   11 o   85.463   12.312  3211.51  829.739  3099.19  1419.90  3269.76  1022.49   78.215   21.631   84.476   15.477 -6.261635 26.59779 
1 1 1  -88    4   12 o   44.168   15.372  848.020  675.779  695.125  1381.97  896.070  774.723   48.772   20.522   45.652   16.406 3.119541 26.27369 
1 1 1  -88    4   13 o   44.481   16.328  860.355  773.014  2325.27  1316.07   88.774  955.136   65.541   21.455   37.367   16.396 28.17334 27.00279 
1 1 1  -88    4   14 o   94.498   15.494  4330.65  1147.60  3342.96  1936.82  4865.02  1424.61   70.581   25.856   96.667   18.827 -26.08545 31.98404 
1 1 1  -88    4   15 o   95.710   15.960  4643.69  1196.62  3856.50  1861.94  5197.60  1561.88   72.482   25.499   94.813   20.855 -22.33118 32.94118 
1 1 1  -88    4   16 o   38.126   16.811  428.821  1015.37  947.367  1935.37  231.887  1192.70   46.140   21.440   38.131   17.391 8.009136 27.60656 
1 1 1  -88    4   17 o   34.779   16.070  157.499  1064.86 -2174.7729  2034.78  1037.16  1249.64   33.890   17.003   42.191   18.625 -8.301048 25.21855 
1 1 1  -88    6    1 o   71.529   30.792  857.286  3236.72   0.0000   0.0000  857.286  3236.72  ?   ?    71.529   30.792 0.000000 30.79221 
1 1 1  -88    6    2 o  210.242   42.706 24488.41  7041.61   0.0000   0.0000 24488.41  7041.61  ?   ?   210.242   42.706 0.000000 42.70614 
1 1 1  -88    6    3 o  196.871   13.929 16423.80  2212.24 13389.40  2362.52 38024.25  6303.33  176.031   16.730  284.079   27.679 -108.0473 32.34197 
1 1 1  -88    6    4 o  165.452   14.177 11665.77  1886.11 10518.02  1975.36 23513.61  6346.61  156.162   15.796  208.279   38.960 -52.11777 42.04075 
1 1 1  -88    6    5 o  107.389   9.2456  4807.19  798.323  2516.90  1336.90  6076.47  995.249   73.849   21.190  120.478   10.272 -46.62875 23.54819 
1 1 1  -88    6    6 o   28.958   10.258  307.075  301.821  802.065  846.466  234.976  323.055   46.507   17.084   27.668   10.476 18.83937 20.04040 
1 1 1  -88    6    7 o   63.574   9.8977  1721.48  494.297  259.677  1066.91  2121.00  557.771   42.814   18.024   70.674   9.9988 -27.86015 20.61174 
1 1 1  -88    6    8 o   96.406   10.058  3928.07  775.728  1739.35  1412.54  4873.22  928.227   62.540   22.187  107.170   10.815 -44.63057 24.68255 
1 1 1  -88    6    9 o  104.765   10.202  4654.48  856.845  4641.94  1599.60  4659.53  1014.70   98.620   20.639  103.860   12.269 -5.240074 24.01015 
1 1 1  -88    6   10 o   35.544   13.067  462.661  495.271 -352.7908  1048.36  696.947  561.933   36.366   16.476   40.963   14.030 -4.596802 21.64051 
1 1 1  -88    6   11 o   95.958   11.347  4002.44  866.956  2561.74  1591.94  4609.88  1033.69   70.022   23.616  102.230   12.729 -32.20778 26.82808 
1 1 1  -88    6   12 o  123.633   13.013  6824.70  1286.71  4631.67  2058.28  8231.51  1648.54   88.696   26.525  133.453   15.503 -44.75665 30.72337 
1 1 1  -88    6   13 o   30.943   13.583  -7.0565  656.092 -1526.2111  1157.51  712.036  796.375   30.363   14.766   42.274   16.337 -11.91103 22.02089 
1 1 1  -88    6   14 o   34.357   15.159   70.262  826.774  857.124  1415.80 -336.9220  1018.47   47.530   20.411   34.061   15.731 13.46835 25.76979 
1 1 1  -88    6   15 o   51.426   17.950  1465.31  921.777  3300.70  1595.14  545.149  1129.44   68.957   23.638   41.271   17.976 27.68579 29.69694 
1 1 1  -88    6   16 o   27.443   12.824 -321.8135  708.182 -1201.6030  1257.56   86.762  856.989   30.946   15.124   33.159   14.971 -2.212461 21.28067 
1 1 1  -88    8    1 o  182.945   40.620 18331.17  5876.61   0.0000   0.0000 18331.17  5876.61  ?   ?   182.945   40.620 0.000000 40.61959 
1 1 1  -88    8    2 o  119.910   42.205  8374.48  5101.67   0.0000   0.0000  8374.48  5101.67  ?   ?   119.910   42.205 0.000000 42.20547 
1 1 1  -88    8    3 o   99.936   40.842  5026.92  5255.06   0.0000   0.0000  5026.92  5255.06  ?   ?    99.936   40.842 0.000000 40.84221 
1 1 1  -88    8    4 o  126.529   47.814 10971.32  6721.71   0.0000   0.0000 10971.32  6721.71  ?   ?   126.529   47.814 0.000000 47.81384 
1 1 1  -88    8    5 o   40.481   14.575  609.544  611.678  630.813  615.199 -1232.3260  5724.97   40.914   14.629   76.732   36.050 -35.81744 38.90467 
1 1 1  -88    8    6 o   88.205   9.3242  3265.01  657.676  902.654  1183.85  4319.56  790.963   51.433   19.907  101.450   9.7211 -50.01693 22.15372 
1 1 1  -88    8    7 o  177.392   11.956 13362.78  1711.99  8698.24  2673.08 16606.72  2229.18  132.819   25.716  196.203   14.086 -63.38387 29.32100 
1 1 1  -88    8    8 o   60.312   9.9471  1560.40  470.135  1746.50  987.788  1505.90  534.563   61.499   18.372   58.702   11.626 2.796902 21.74170 
1 1 1  -88    8    9 o   28.530   11.097  231.256  369.303  774.018  880.160  115.284  406.848   45.696   17.294   27.313   11.285 18.38374 20.65029 
1 1 1  -88    8   10 o   96.905   10.411  4025.25  806.321  4085.27  1506.95  4001.18  954.440   90.981   20.846   95.466   12.622 -4.485184 24.36979 
1 1 1  -88    8   11 o   53.823   13.571  1328.18  592.966  570.299  1237.37  1554.11  675.591   46.396   19.465   57.930   14.420 -11.53383 24.22410 
1 1 1  -88    8   12 o   80.207   13.500  2940.36  847.992  2846.15  1453.71  2988.95  1044.02   72.094   22.438   78.519   16.878 -6.424919 28.07728 
1 1 1  -88    8   13 o   56.556   15.470  1569.23  730.907  1365.30  1414.49  1643.52  853.713   53.163   21.384   57.001   17.091 -3.838032 27.37508 
1 1 1  -88    8   14 o   29.359   13.696 -440.0381  802.458 -1674.4351  1370.37  204.116  989.935   32.161   15.732   37.626   16.595 -5.465702 22.86665 
1 1 1  -88    8   15 f   41.512   17.234  748.845  955.255  998.689  1675.23  628.465  1162.83   46.913   21.080   41.707   18.201 5.206455 27.85018 
1 1 1  -88    8   16 o   28.479   13.578 -541.8510  870.992  2306.16  1803.84 -1407.7390  994.622   52.125   22.710   26.186   12.926 25.93875 26.13105 
1 1 1  -88   10    1 o  121.678   39.804  8463.48  4530.10   0.0000   0.0000  8463.48  4530.10  ?   ?   121.678   39.804 0.000000 39.80405 
1 1 1  -88   10    2 o  151.010   47.289 14829.95  6445.73   0.0000   0.0000 14829.95  6445.73  ?   ?   151.010   47.289 0.000000 47.28905 
1 1 1  -88   10    3 o  147.184   48.091 14706.67  6613.35   0.0000   0.0000 14706.67  6613.35  ?   ?   147.184   48.091 0.000000 48.09058 
1 1 1  -88   10    4 o   99.066   43.182  5121.80  6528.63   0.0000   0.0000  5121.80  6528.63  ?   ?    99.066   43.182 0.000000 43.18250 
1 1 1  -88   10    5 f  126.394   52.469 14236.82  8853.45   0.0000   0.0000 14236.82  8853.45  ?   ?   126.394   52.469 0.000000 52.46878 
1 1 1  -88   10    6 o   84.438   39.583  1169.79  6837.49   0.0000   0.0000  1169.79  6837.49  ?   ?    84.438   39.583 0.000000 39.58279 
1 1 1  -88   10    7 o  150.592   12.071  9685.61  1463.53  4463.64  2444.35 12603.76  1827.26   91.241   29.188  171.051   13.260 -79.80939 32.05906 
1 1 1  -88   10    8 o   87.214   9.6756  3225.18  673.628  1899.07  1384.95  3636.12  770.970   63.706   22.015   92.341   10.468 -28.63466 24.37705 
1 1 1  -88   10    9 o   83.671   10.478  3006.50  696.239  3388.55  1434.14  2888.70  796.383   82.681   21.247   81.089   12.497 1.592079 24.65003 
1 1 1  -88   10   10 o   71.363   12.050  2253.26  673.393  1779.04  1438.08  2386.45  762.107   60.829   22.280   72.831   13.380 -12.00119 25.98911 
1 1 1  -88   10   11 o   26.598   11.774 -92.7452  502.770 -154.4561  1262.20 -81.1074  548.132   40.367   18.203   27.910   12.327 12.45629 21.98402 
1 1 1  -88   10   12 o   52.382   14.078  1298.53  611.638 -662.7212  1580.51  1643.97  663.321   40.642   19.045   59.019   14.045 -18.37650 23.66406 
1 1 1  -88   10   13 o   23.988   11.466 -685.2109  629.191 -1967.1940  1362.29 -337.5872  709.386   31.331   15.400   28.525   13.158 2.806335 20.25535 
1 1 1  -88   10   14 o   25.927   11.977 -288.5353  590.763 -3417.3589  1535.06  255.434  640.060   28.808   14.496   32.874   13.906 -4.065683 20.08770 
1 1 1  -88   10   15 o   47.877   17.436  1307.18  878.886 -758.3467  1900.12  1869.36  991.302   38.990   18.951   55.426   18.636 -16.43527 26.57914 
1 1 1  -88   12    1 o   57.789   27.676 -3286.6250  3705.06   0.0000   0.0000 -3286.6250  3705.06  ?   ?    57.789   27.676 0.000000 27.67599 
1 1 1  -88   12    2 o  135.543   48.341 13138.43  6714.09   0.0000   0.0000 13138.43  6714.09  ?   ?   135.543   48.341 0.000000 48.34138 
1 1 1  -88   12    3 o  106.041   43.602  7111.10  6034.75   0.0000   0.0000  7111.10  6034.75  ?   ?   106.041   43.602 0.000000 43.60154 
1 1 1  -88   12    4 o   69.551   33.257 -2665.4009  5304.06   0.0000   0.0000 -2665.4009  5304.06  ?   ?    69.551   33.257 0.000000 33.25700 
1 1 1  -88   12    5 o  173.439   64.734 36205.70 12242.02   0.0000   0.0000 36205.70 12242.02  ?   ?   173.439   64.734 0.000000 64.73420 
1 1 1  -88   12    6 o   80.686   38.815 -384.7920  7473.87   0.0000   0.0000 -384.7920  7473.87  ?   ?    80.686   38.815 0.000000 38.81535 
1 1 1  -88   12    7 o   87.466   42.063  3376.71  8760.11   0.0000   0.0000  3376.71  8760.11  ?   ?    87.466   42.063 0.000000 42.06328 
1 1 1  -88   12    8 o  117.342   11.512  5928.14  1082.73  1340.07  2281.31  7262.08  1230.09   62.168   26.274  129.787   11.802 -67.61938 28.80246 
1 1 1  -88   12    9 o   26.612   11.185   76.477  409.841  1990.48  1373.97 -110.4579  429.389   63.488   21.928   24.439   10.846 39.04896 24.46430 
1 1 1  -88   12   10 o   48.530   13.728  1081.57  565.166 -1444.2040  1681.45  1403.26  600.079   39.183   18.733   55.254   13.492 -16.07047 23.08615 
1 1 1  -88   12   11 o   36.908   13.707  531.492  547.517  3611.49  1604.36  125.500  582.486   80.145   23.276   31.138   13.224 49.00686 26.77024 
1 1 1  -88   12   12 o   67.476   14.329  2174.92  760.832  262.310  1971.33  2509.68  824.732   48.310   22.156   72.478   14.520 -24.16860 26.48974 
1 1 1  -88   12   13 o   83.368   13.059  3279.76  854.978  4533.00  2075.64  3023.67  938.274   78.159   26.955   77.958   15.369 0.2005844 31.02851 
1 1 1  -88   12   14 o   26.521   12.506 -479.0718  700.529 -458.5878  1775.65 -482.8477  762.367   40.078   19.185   27.721   13.065 12.35709 23.21100 
1 1 1  -88   12   15 o   27.646   13.099 -461.0981  785.544 -4393.4990  1967.04  285.053  856.835   30.025   15.253   34.644   15.351 -4.618855 21.64062 
1 1 1  -88   14    1 f   82.353   35.813  2442.91  4468.13   0.0000   0.0000  2442.91  4468.13  ?   ?    82.353   35.813 0.000000 35.81275 
1 1 1  -88   14    2 o   79.609   36.868  554.025  5651.40   0.0000   0.0000  554.025  5651.40  ?   ?    79.609   36.868 0.000000 36.86818 
1 1 1  -88   14    3 o   79.418   36.913  638.052  5742.39   0.0000   0.0000  638.052  5742.39  ?   ?    79.418   36.913 0.000000 36.91257 
1 1 1  -88   14    4 o   93.149   42.360  4888.61  7010.14   0.0000   0.0000  4888.61  7010.14  ?   ?    93.149   42.360 0.000000 42.35980 
1 1 1  -88   14    5 o   99.977   47.060  8862.84  9836.06   0.0000   0.0000  8862.84  9836.06  ?   ?    99.977   47.060 0.000000 47.05959 
1 1 1  -88   14    6 o  108.359   51.130 17206.31 11741.04   0.0000   0.0000 17206.31 11741.04  ?   ?   108.359   51.130 0.000000 51.12960 
1 1 1  -88   14    7 o   81.026   39.893  1272.60  9272.06   0.0000   0.0000  1272.60  9272.06  ?   ?    81.026   39.893 0.000000 39.89321 
1 1 1  -88   14    8 f   85.484   42.610  7752.46 11867.05   0.0000   0.0000  7752.46 11867.05  ?   ?    85.484   42.610 0.000000 42.61029 
1 1 1  -88   14    9 o  112.950   11.552  5576.44  1044.55  2279.84  2663.61  6175.54  1135.51   66.917   28.341  118.619   11.952 -51.70206 30.75854 
1 1 1  -88   14   10 o  103.967   10.987  4740.61  913.445  7540.10  2521.27  4317.63  980.025  111.341   27.935   98.064   12.599 13.27637 30.64486 
1 1 1  -88   14   11 o   69.384   13.373  2246.04  726.076  191.142  2439.11  2445.84  760.556   51.279   23.908   72.441   13.425 -21.16165 27.41944 
1 1 1  -88   14   12 o   35.273   13.098  511.008  499.873 -690.9839  2221.30  575.125  513.032   44.648   21.395   36.639   13.324 8.009289 25.20494 
1 1 1  -88   14   13 o   67.201   15.328  2316.92  817.851  3383.68  2661.16  2205.66  859.445   61.075   27.059   64.478   16.383 -3.402458 31.63184 
1 1 1  -88   14   14 o   51.106   15.734  1442.04  716.994  5050.97  2558.00  1134.33  746.936   66.236   27.898   45.412   16.131 20.82394 32.22597 
1 1 1  -88   16    1 o  106.223   43.175  8238.41  5832.16   0.0000   0.0000  8238.41  5832.16  ?   ?   106.223   43.175 0.000000 43.17478 
1 1 1  -88   16    2 o  169.171   59.687 30728.73 10209.22   0.0000   0.0000 30728.73 10209.22  ?   ?   169.171   59.687 0.000000 59.68742 
1 1 1  -88   16    3 o  143.383   56.168 23602.56  9512.59   0.0000   0.0000 23602.56  9512.59  ?   ?   143.383   56.168 0.000000 56.16824 
1 1 1  -88   16    4 o   84.909   40.953  2400.40  8448.31   0.0000   0.0000  2400.40  8448.31  ?   ?    84.909   40.953 0.000000 40.95267 
1 1 1  -88   16    5 o   93.348   44.597  8338.39  9494.34   0.0000   0.0000  8338.39  9494.34  ?   ?    93.348   44.597 0.000000 44.59683 
1 1 1  -88   16    6 f   80.704   39.928  1906.25  9683.88   0.0000   0.0000  1906.25  9683.88  ?   ?    80.704   39.928 0.000000 39.92810 
1 1 1  -88   16    7 o   95.251   46.747 18901.03 12406.49   0.0000   0.0000 18901.03 12406.49  ?   ?    95.251   46.747 0.000000 46.74694 
1 1 1  -88   16    8 o   86.251   43.110 16177.55 12511.19   0.0000   0.0000 16177.55 12511.19  ?   ?    86.251   43.110 0.000000 43.11007 
1 1 1  -88   16    9 o   44.524   20.658 -414.9649  1786.47 -414.9649  1786.47   0.0000   0.0000   44.524   20.658  ?   ?  0.000000 20.65829 
1 1 1  -88   16   10 o   54.550   11.736  1363.51  504.397 -988.9454  2561.56  1458.41  514.470   47.593   22.851   56.533   11.597 -8.939793 25.62512 
1 1 1  -88   16   11 o   21.310   9.7377 -189.4469  376.174  1325.39  2317.01 -230.4565  381.231   54.094   24.503   20.984   9.6675 33.11024 26.34081 
1 1 1  -88   16   12 o   47.009   14.830  1121.07  632.657  1374.31  2842.57  1107.87  648.934   52.710   24.958   46.674   15.051 6.036259 29.14497 
1 1 1  -88   16   13 o   53.480   14.427  1494.94  640.930 -2853.7539  3029.75  1698.67  655.771   40.470   20.364   57.378   14.162 -16.90771 24.80434 
1 1 1  -88   18    1 o   89.979   40.385  5624.99  6130.41   0.0000   0.0000  5624.99  6130.41  ?   ?    89.979   40.385 0.000000 40.38491 
1 1 1  -88   18    2 o   94.397   42.822  7668.77  7108.37   0.0000   0.0000  7668.77  7108.37  ?   ?    94.397   42.822 0.000000 42.82241 
1 1 1  -88   18    3 o   76.068   36.777  558.135  6914.75   0.0000   0.0000  558.135  6914.75  ?   ?    76.068   36.777 0.000000 36.77680 
1 1 1  -88   18    4 o   92.122   44.641 10715.79 10336.09   0.0000   0.0000 10715.79 10336.09  ?   ?    92.122   44.641 0.000000 44.64124 
1 1 1  -88   18    5 o   91.345   44.307 12296.28 10244.59   0.0000   0.0000 12296.28 10244.59  ?   ?    91.345   44.307 0.000000 44.30660 
1 1 1  -88   18    6 o   74.362   37.320  950.494  9839.55   0.0000   0.0000  950.494  9839.55  ?   ?    74.362   37.320 0.000000 37.31988 
1 1 1  -88   18    7 o   77.468   39.083  8179.74 11566.19   0.0000   0.0000  8179.74 11566.19  ?   ?    77.468   39.083 0.000000 39.08297 
1 1 1  -88   18    8 o   74.950   38.226 12647.13 13311.27   0.0000   0.0000 12647.13 13311.27  ?   ?    74.950   38.226 0.000000 38.22573 
1 1 1  -88   18    9 o   68.098   35.106 10378.42 15719.34   0.0000   0.0000 10378.42 15719.34  ?   ?    68.098   35.106 0.000000 35.10584 
1 1 1  -88   18   10 o   76.514   11.193  2660.45  674.841   0.0000   0.0000  2660.45  674.841  ?   ?    76.514   11.193 0.000000 11.19330 
1 1 1  -88   18   11 o   57.396   12.234  1572.16  552.712   0.0000   0.0000  1572.16  552.712  ?   ?    57.396   12.234 0.000000 12.23374 
1 1 1  -88   20    1 o   93.818   43.019 10056.11  7427.58   0.0000   0.0000 10056.11  7427.58  ?   ?    93.818   43.019 0.000000 43.01873 
1 1 1  -88   20    2 o   75.860   36.851  2342.97  7158.34   0.0000   0.0000  2342.97  7158.34  ?   ?    75.860   36.851 0.000000 36.85090 
1 1 1  -88   20    3 o   59.929   30.135 -7059.1182  6574.74   0.0000   0.0000 -7059.1182  6574.74  ?   ?    59.929   30.135 0.000000 30.13503 
1 1 1  -88   20    4 o   79.115   39.325  6657.64  9819.14   0.0000   0.0000  6657.64  9819.14  ?   ?    79.115   39.325 0.000000 39.32507 
1 1 1  -88   20    5 o   51.895   26.645 -19025.7598  7609.25   0.0000   0.0000 -19025.7598  7609.25  ?   ?    51.895   26.645 0.000000 26.64462 
1 1 1  -88   20    6 o   80.810   40.968 21602.45 13694.56   0.0000   0.0000 21602.45 13694.56  ?   ?    80.810   40.968 0.000000 40.96846 
1 1 1  -88   20    7 o   78.917   40.155 27501.15 14035.33   0.0000   0.0000 27501.15 14035.33  ?   ?    78.917   40.155 0.000000 40.15536 
1 1 1  -88   20    8 o   52.816   27.280 -21181.0703 10403.85   0.0000   0.0000 -21181.0703 10403.85  ?   ?    52.816   27.280 0.000000 27.27952 
1 1 1  -88   20    9 o  ?   ?  -45719.2109  9098.79   0.0000   0.0000 -45719.2109  9098.79  ?   ?   ?   ?  0.000000      ? 
1 1 1  -88   22    1 o   81.495   39.502  9349.37  8106.42   0.0000   0.0000  9349.37  8106.42  ?   ?    81.495   39.502 0.000000 39.50191 
1 1 1  -88   22    2 o   66.449   33.300 -683.2806  7696.12   0.0000   0.0000 -683.2806  7696.12  ?   ?    66.449   33.300 0.000000 33.30027 
1 1 1  -88   22    3 o   70.542   35.456  3584.61  9051.20   0.0000   0.0000  3584.61  9051.20  ?   ?    70.542   35.456 0.000000 35.45628 
1 1 1  -88   22    4 o   70.440   35.812  6085.09 10989.32   0.0000   0.0000  6085.09 10989.32  ?   ?    70.440   35.812 0.000000 35.81184 
1 1 1  -88   22    5 o   62.170   31.905 -4064.2161 10759.67   0.0000   0.0000 -4064.2161 10759.67  ?   ?    62.170   31.905 0.000000 31.90489 
1 1 1  -88   22    6 o   61.350   31.591 -2255.6689 12175.78   0.0000   0.0000 -2255.6689 12175.78  ?   ?    61.350   31.591 0.000000 31.59143 
1 1 1  -87    1    1 o  150.944   10.684  9466.01  1301.01  9274.00  1402.05 10656.02  3490.38  149.069   11.677  149.818   29.742 -0.7487793 31.95191 
1 1 1  -87    1    2 o   55.312   6.9798  1271.60  306.495  809.362  447.449  1680.20  420.686   43.482   12.185   63.429   8.3730 -19.94613 14.78448 
1 1 1  -87    1    3 o   24.312   8.8157  201.388  224.337  298.359  344.219  129.786  295.783   29.757   10.900   24.628   9.8229 5.129642 14.67319 
1 1 1  -87    1    4 o  151.615   8.8613  9500.74  1086.13  9680.01  1561.15  9332.55  1512.05  151.607   12.802  148.918   12.624 2.688995 17.97893 
1 1 1  -87    1    5 o   88.319   8.4997  3241.14  602.006  3238.37  875.152  3243.63  829.418   87.068   12.757   87.382   12.007 -0.3132095 17.51936 
1 1 1  -87    1    6 o  193.946   10.917 15714.71  1712.22 17388.97  2450.60 14117.82  2393.31  201.520   15.086  180.555   16.508 20.96478 22.36273 
1 1 1  -87    1    7 o  162.425   10.494 11035.88  1376.58 11212.58  2007.07 10878.92  1891.61  160.958   15.551  158.970   14.826 1.987793 21.48570 
1 1 1  -87    1    8 o  108.957   10.146  4991.09  887.293  4461.95  1271.50  5493.34  1238.78  100.398   16.145  112.773   13.818 -12.37452 21.25025 
1 1 1  -87    1    9 o   81.946   11.714  2887.87  757.244  2975.42  1129.00  2816.27  1020.94   80.570   17.738   78.913   16.466 1.657211 24.20267 
1 1 1  -87    1   10 f  158.209   11.771 10693.57  1501.30  9785.03  2180.65 11512.23  2069.98  145.861   18.854  160.846   16.064 -14.98477 24.76946 
1 1 1  -87    1   11 o  156.123   12.023 10511.18  1512.39  9408.32  2175.67 11542.42  2103.83  141.272   19.486  159.704   16.460 -18.43211 25.50714 
1 1 1  -87    1   12 o   62.694   15.362  1831.32  775.862  2021.27  1121.94  1657.23  1074.10   64.053   19.675   58.710   19.390 5.342808 27.62447 
1 1 1  -87    1   13 o  139.185   12.838  8631.74  1434.57  8708.33  2082.86  8562.62  1978.71  131.976   20.069  132.108   18.993 -0.1314697 27.63136 
1 1 1  -87    1   14 o   37.252   15.842  280.925  837.979  536.703  1351.14  121.041  1068.25   45.600   19.762   38.971   17.211 6.629196 26.20556 
1 1 1  -87    1   15 f   36.794   16.706 -64.4008  1084.84  414.428  1804.10 -335.6017  1357.73   46.627   21.314   38.403   17.882 8.224232 27.82210 
1 1 1  -87    1   16 o   40.552   18.092  430.316  1210.71  -2.0925  1764.53  814.990  1664.28   42.085   19.847   45.874   20.774 -3.788391 28.73068 
1 1 1  -87    1   17 o   57.560   22.095  2617.72  1449.47  5483.35  2106.87   42.564  1997.23   74.342   27.007   40.954   19.792 33.38787 33.48293 
1 1 1  -87    3    1 o  111.449   10.836  5185.96  968.142  5185.96  968.142   0.0000   0.0000  111.449   10.836  ?   ?  0.000000 10.83553 
1 1 1  -87    3    2 o  143.889   12.986  8712.26  1500.87  8712.26  1500.87   0.0000   0.0000  143.889   12.986  ?   ?  0.000000 12.98620 
1 1 1  -87    3    3 o  124.302   12.735  6516.76  1267.21  6267.98  1326.18  9128.75  4297.18  121.537   13.676  130.890   38.116 -9.352974 40.49538 
1 1 1  -87    3    4 o   69.739   9.8667  2048.55  543.115 -1016.7520  2626.71  2185.45  555.111   56.260   25.718   72.106   9.7299 -15.84558 27.49665 
1 1 1  -87    3    5 o  169.104   9.7116 11870.53  1327.87 12490.62  1961.01 11345.45  1804.53  171.370   14.222  163.537   13.716 7.833481 19.75835 
1 1 1  -87    3    6 o   81.441   8.6729  2767.04  564.690  2950.54  946.290  2665.56  703.721   82.215   14.716   79.198   11.260 3.016823 18.52974 
1 1 1  -87    3    7 o   36.120   11.591  537.398  385.221  310.009  720.884  628.283  455.749   37.603   15.216   39.003   12.617 -1.399975 19.76667 
1 1 1  -87    3    8 o  155.662   10.861 10196.91  1364.11  9670.16  2088.33 10588.93  1801.56  147.316   17.821  156.645   14.323 -9.328949 22.86330 
1 1 1  -87    3    9 o  115.917   10.648  5686.30  990.979  4084.47  1563.54  6761.83  1281.18   92.631   21.241  125.421   12.758 -32.79028 24.77796 
1 1 1  -87    3   10 o  136.386   11.191  7926.69  1228.38  6908.17  1876.24  8690.78  1625.08  121.549   19.684  140.717   14.427 -19.16882 24.40469 
1 1 1  -87    3   11 o  109.443   11.351  5160.23  994.018  5008.72  1561.16  5263.54  1289.10  102.458   19.478  108.275   15.072 -5.816704 24.62774 
1 1 1  -87    3   12 o   36.070   14.115  411.603  600.263  296.319  1032.91  470.390  737.600   41.337   17.584   39.066   15.534 2.270920 23.46266 
1 1 1  -87    3   13 o   34.641   14.858  136.496  748.593  431.618  1215.04 -44.0680  950.397   44.254   18.954   36.353   16.135 7.901199 24.89167 
1 1 1  -87    3   14 o   43.914   16.017  861.631  742.117 -1283.4830  1542.92  1507.25  846.460   36.914   17.726   54.785   17.134 -17.87162 24.65330 
1 1 1  -87    3   15 o   55.906   18.433  1700.39  970.781  1475.44  1573.82  1838.54  1233.37   52.655   22.012   56.556   20.646 -3.900894 30.17886 
1 1 1  -87    3   16 o   33.637   15.485 -138.1101  975.520  251.512  1786.55 -303.6265  1164.44   43.214   20.250   34.952   16.369 8.261780 26.03843 
1 1 1  -87    3   17 o   27.835   13.657 -1208.8051  1056.51  1186.91  1943.15 -2214.2649  1258.84   45.185   21.156   27.110   13.569 18.07515 25.13337 
1 1 1  -87    5    1 o   91.830   10.940  3539.68  799.684  3371.38  824.854  6171.80  3262.07   89.399   11.639  111.132   33.429 -21.73286 35.39720 
1 1 1  -87    5    2 o  233.851   13.812 23025.04  2610.91 21409.88  2857.72 31182.34  6422.24  224.244   15.796  254.326   31.795 -30.08125 35.50213 
1 1 1  -87    5    3 o  226.333   14.636 21705.27  2675.27 18910.79  2908.40 37069.87  6819.69  209.503   17.251  277.881   30.740 -68.37813 35.24949 
1 1 1  -87    5    4 o  170.313   14.005 12304.58  1919.55 11592.67  2021.35 18843.22  6125.91  164.605   15.299  183.846   41.962 -19.24091 44.66383 
1 1 1  -87    5    5 o   87.131   8.3413  3154.89  582.913  2300.57  1034.65  3552.15  705.543   71.553   17.864   92.182   9.5655 -20.62859 20.26343 
1 1 1  -87    5    6 o   74.267   10.499  2337.53  615.489 -3892.0701  3927.84  2494.35  623.188   58.219   28.040   76.833   10.244 -18.61438 29.85307 
1 1 1  -87    5    7 o   50.256   10.348  1089.34  408.184 -881.3007  900.275  1599.27  457.961   30.192   14.219   61.398   9.4924 -31.20652 17.09647 
1 1 1  -87    5    8 o  126.638   10.213  6741.25  1041.20  5589.93  1750.55  7371.53  1295.21  109.867   20.373  131.490   12.273 -21.62309 23.78470 
1 1 1  -87    5    9 o   51.077   12.877  1156.19  533.898  1867.62  1114.10  944.105  608.295   63.447   19.626   46.566   14.518 16.88028 24.41240 
1 1 1  -87    5   10 o   83.831   11.605  3039.14  768.771  3942.18  1420.57  2665.14  914.210   90.996   19.790   76.799   15.199 14.19635 24.95293 
1 1 1  -87    5   11 o   84.777   12.148  3147.21  812.307  1754.56  1403.36  3848.92  996.149   61.070   22.064   93.106   13.576 -32.03623 25.90595 
1 1 1  -87    5   12 o  168.467   12.874 12512.19  1747.64 10759.29  2689.13 13793.85  2299.43  143.403   23.939  172.529   16.620 -29.12604 29.14238 
1 1 1  -87    5   13 o   65.016   15.677  2027.03  817.950  1635.54  1362.50  2247.62  1022.76   57.291   21.554   66.827   18.308 -9.536503 28.27995 
1 1 1  -87    5   14 o   98.664   14.108  4563.60  1098.07  5518.48  1756.46  3950.98  1406.89   99.257   22.334   85.383   20.543 13.87457 30.34497 
1 1 1  -87    5   15 o  100.303   14.341  4872.39  1134.73  4699.18  1886.66  4970.56  1420.35   82.550   25.541   95.917   18.910 -13.36638 31.77889 
1 1 1  -87    5   16 o   32.608   14.786 -14.3322  846.226  1924.60  1921.36 -480.9601  942.569   52.337   23.099   30.651   14.470 21.68558 27.25722 
1 1 1  -87    5   17 o   59.336   20.651  2576.93  1219.64  3193.82  2156.39  2286.76  1478.92   54.284   24.187   52.828   21.637 1.456223 32.45245 
1 1 1  -87    7    1 o   75.040   31.202  1559.93  3138.35   0.0000   0.0000  1559.93  3138.35  ?   ?    75.040   31.202 0.000000 31.20199 
1 1 1  -87    7    2 o  103.720   38.579  5471.94  4340.55   0.0000   0.0000  5471.94  4340.55  ?   ?   103.720   38.579 0.000000 38.57875 
1 1 1  -87    7    3 o  167.648   46.610 16962.90  6574.23   0.0000   0.0000 16962.90  6574.23  ?   ?   167.648   46.610 0.000000 46.60976 
1 1 1  -87    7    4 o   85.835   14.569  3197.64  979.102  2925.69  995.666 11167.84  5390.21   81.664   15.584  136.687   43.304 -55.02307 46.02255 
1 1 1  -87    7    5 o  ?   ?  -1320.6460  250.189 -1323.8380  250.420  407.470  5826.42  ?   ?    83.145   38.116 0.000000 38.11622 
1 1 1  -87    7    6 o   38.768   10.170  648.126  324.103  626.859  708.289  653.758  364.502   42.108   15.600   39.016   11.020 3.091988 19.09958 
1 1 1  -87    7    7 f  153.274   12.779 10012.43  1575.88 13381.80  6393.46  9794.49  1626.05  135.879   47.282  151.245   13.379 -15.36601 49.13812 
1 1 1  -87    7    8 o   42.805   10.647  798.187  368.531  1286.98  974.986  716.710  398.063   54.519   18.482   40.656   11.528 13.86310 21.78218 
1 1 1  -87    7    9 o   69.468   10.999  2081.61  599.756  993.855  1227.51  2422.72  687.393   52.215   20.254   74.785   11.704 -22.57056 23.39207 
1 1 1  -87    7   10 o   14.972   7.4262 -800.2298  342.992 -1026.4840  940.342 -765.5085  368.371   29.734   14.158   16.105   7.9336 13.62950 16.22946 
1 1 1  -87    7   11 o   56.996   14.775  1497.50  689.450  499.165  1230.07  1954.80  832.510   46.071   19.372   64.680   15.952 -18.60899 25.09450 
1 1 1  -87    7   12 o   24.546   11.545 -535.6961  589.940 -2714.1321  1004.32  611.926  728.954   23.577   11.845   40.766   15.664 -17.18933 19.63820 
1 1 1  -87    7   13 o   37.444   15.275  406.107  733.422  1987.03  1157.15 -655.4490  948.209   61.530   20.117   31.379   14.719 30.15125 24.92675 
1 1 1  -87    7   14 o   49.244   16.685  1205.38  794.688 -65.2322  1399.04  1810.63  965.585   40.990   18.749   58.486   18.301 -17.49619 26.20039 
1 1 1  -87    7   15 o   41.792   15.906  813.061  747.258  2201.62  1279.49   94.277  920.568   59.671   21.122   35.298   15.760 24.37285 26.35349 
1 1 1  -87    7   16 o   49.352   17.412  1412.42  868.778  3170.11  1662.05  751.609  1019.09   62.906   23.775   41.082   17.470 21.82468 29.50353 
1 1 1  -87    9    1 o  153.361   41.191 13143.50  5237.97   0.0000   0.0000 13143.50  5237.97  ?   ?   153.361   41.191 0.000000 41.19061 
1 1 1  -87    9    2 o   93.635   36.858  4063.44  4114.09   0.0000   0.0000  4063.44  4114.09  ?   ?    93.635   36.858 0.000000 36.85830 
1 1 1  -87    9    3 o  119.237   43.353  8501.52  5430.56   0.0000   0.0000  8501.52  5430.56  ?   ?   119.237   43.353 0.000000 43.35286 
1 1 1  -87    9    4 o   79.201   36.498 -273.9894  5438.25   0.0000   0.0000 -273.9894  5438.25  ?   ?    79.201   36.498 0.000000 36.49820 
1 1 1  -87    9    5 o  126.628   49.286 11774.99  7288.28   0.0000   0.0000 11774.99  7288.28  ?   ?   126.628   49.286 0.000000 49.28647 
1 1 1  -87    9    6 o   86.690   17.696  3395.50  1203.49  2964.62  1219.27 19716.96  7504.17   80.333   18.992  163.118   51.015 -82.78512 54.43547 
1 1 1  -87    9    7 o  111.768   9.6723  5242.96  869.127  3415.15  1546.70  6086.44  1050.70   84.360   22.258  119.971   10.905 -35.61025 24.78567 
1 1 1  -87    9    8 o   85.115   10.499  3084.95  710.182   0.0000   0.0000  3084.95  710.182  ?   ?    85.115   10.499 0.000000 10.49854 
1 1 1  -87    9    9 o  144.583   11.444  8933.30  1332.52  6156.91  2289.56 10355.44  1638.63  108.759   26.231  154.492   13.189 -45.73302 29.35993 
1 1 1  -87    9   10 o   76.904   11.825  2586.51  714.742  1052.71  1456.57  3072.96  820.290   53.908   21.694   83.639   12.459 -29.73111 25.01730 
1 1 1  -87    9   11 o   19.760   9.5482 -690.0224  464.422 -2178.0239  1163.66 -408.0992  506.510   28.409   14.015   23.404   10.906 5.004189 17.75855 
1 1 1  -87    9   12 o   75.576   14.445  2650.37  854.083  404.591  1704.80  3402.91  986.860   48.930   21.669   85.673   14.717 -36.74277 26.19380 
1 1 1  -87    9   13 o   61.333   15.223  1825.82  754.552  1683.39  1598.27  1866.67  855.946   56.930   22.790   61.058   16.757 -4.128002 28.28773 
1 1 1  -87    9   14 o   79.338   16.795  3215.74  1048.24  2823.78  1891.74  3389.41  1259.24   64.252   25.082   78.174   19.813 -13.92178 31.96321 
1 1 1  -87    9   15 o   43.268   17.548  883.687  960.983  967.856  1783.86  849.274  1140.64   47.433   21.491   43.793   18.547 3.640263 28.38778 
1 1 1  -87    9   16 o   37.179   16.409  439.162  969.559  1026.54  1662.84  136.607  1193.42   44.609   20.418   36.786   17.003 7.822975 26.57051 
1 1 1  -87   11    1 o   42.421   21.112 -6253.1460  2866.78   0.0000   0.0000 -6253.1460  2866.78  ?   ?    42.421   21.112 0.000000 21.11240 
1 1 1  -87   11    2 f  225.331   47.300 30871.30  8378.34   0.0000   0.0000 30871.30  8378.34  ?   ?   225.331   47.300 0.000000 47.29997 
1 1 1  -87   11    3 o   93.076   39.565  3822.25  5222.43   0.0000   0.0000  3822.25  5222.43  ?   ?    93.076   39.565 0.000000 39.56461 
1 1 1  -87   11    4 o   86.985   38.687  2359.89  5491.09   0.0000   0.0000  2359.89  5491.09  ?   ?    86.985   38.687 0.000000 38.68706 
1 1 1  -87   11    5 o  134.793   52.598 15541.91  8317.02   0.0000   0.0000 15541.91  8317.02  ?   ?   134.793   52.598 0.000000 52.59838 
1 1 1  -87   11    6 o  113.811   50.286 11584.32  9129.77   0.0000   0.0000 11584.32  9129.77  ?   ?   113.811   50.286 0.000000 50.28565 
1 1 1  -87   11    7 o   74.322   9.7341  2344.46  573.304  481.805  1384.25  2730.11  629.863   48.993   20.573   80.240   9.8760 -31.24794 22.82039 
1 1 1  -87   11    8 o   47.732   11.055  1000.30  420.049  1073.91  1147.90  988.915  451.354   52.308   19.761   47.321   11.790 4.987038 23.01082 
1 1 1  -87   11    9 o   97.734   12.013  4148.19  933.216   0.0000   0.0000  4148.19  933.216  ?   ?    97.734   12.013 0.000000 12.01271 
1 1 1  -87   11   10 o  114.676   11.509  5704.26  1057.16  3027.02  2050.78  6673.15  1233.71   74.124   26.687  123.433   12.481 -49.30849 29.46137 
1 1 1  -87   11   11 o   69.755   12.838  2197.78  700.364  2640.10  1614.22  2095.21  777.340   69.563   23.779   67.084   14.679 2.479164 27.94512 
1 1 1  -87   11   12 o  105.379   12.170  4971.37  1022.16  4267.61  2001.48  5219.69  1188.89   82.853   26.402  106.375   14.113 -23.52137 29.93756 
1 1 1  -87   11   13 o   26.676   11.986 -134.1201  541.603 -241.2849  1469.95 -117.2866  582.590   40.752   18.848   27.841   12.476 12.91129 22.60326 
1 1 1  -87   11   14 o   31.453   14.057 -19.4335  734.313  1215.95  1638.04 -330.1379  821.481   49.843   21.680   30.327   14.049 19.51569 25.83364 
1 1 1  -87   11   15 o   47.404   17.944  1278.46  947.780 -3519.4919  1796.60  3128.63  1115.65   30.736   15.493   73.037   18.725 -42.30169 24.30322 
1 1 1  -87   13    1 o  126.521   44.691 10383.83  5725.19   0.0000   0.0000 10383.83  5725.19  ?   ?   126.521   44.691 0.000000 44.69110 
1 1 1  -87   13    2 o  193.495   50.702 25531.14  8061.90   0.0000   0.0000 25531.14  8061.90  ?   ?   193.495   50.702 0.000000 50.70214 
1 1 1  -87   13    3 o   71.632   33.727 -1604.3660  5059.43   0.0000   0.0000 -1604.3660  5059.43  ?   ?    71.632   33.727 0.000000 33.72749 
1 1 1  -87   13    4 f  152.526   56.499 21695.96  9290.78   0.0000   0.0000 21695.96  9290.78  ?   ?   152.526   56.499 0.000000 56.49933 
1 1 1  -87   13    5 o  164.936   60.791 29325.07 10730.19   0.0000   0.0000 29325.07 10730.19  ?   ?   164.936   60.791 0.000000 60.79130 
1 1 1  -87   13    6 o   86.520   41.129  2033.43  7870.25   0.0000   0.0000  2033.43  7870.25  ?   ?    86.520   41.129 0.000000 41.12916 
1 1 1  -87   13    7 o  111.799   51.154 16065.78 10425.33   0.0000   0.0000 16065.78 10425.33  ?   ?   111.799   51.154 0.000000 51.15414 
1 1 1  -87   13    8 o   30.524   10.900  348.254  341.455  343.608  1393.47  348.551  352.192   47.123   20.243   30.722   11.060 16.40077 23.06753 
1 1 1  -87   13    9 o  118.455   11.490  6075.75  1091.27  1751.14  2429.60  7168.68  1221.40   64.518   27.182  128.503   11.839 -63.98428 29.64860 
1 1 1  -87   13   10 o   71.253   11.216  2235.38  627.439  1204.47  1866.77  2366.67  666.196   56.568   23.829   73.165   11.601 -16.59639 26.50333 
1 1 1  -87   13   11 o  109.904   11.549  5337.72  1015.22  4180.16  2455.94  5576.29  1114.94   78.795   29.076  111.581   12.522 -32.78619 31.65810 
1 1 1  -87   13   12 o   34.324   13.020  443.407  499.637  170.184  1941.88  462.777  517.044   47.678   21.912   34.916   13.245 12.76220 25.60365 
1 1 1  -87   13   13 o   31.233   13.418  143.584  612.310 -2139.9890  1885.50  412.802  647.398   36.611   18.019   35.386   14.384 1.225075 23.05594 
1 1 1  -87   13   14 o   77.900   14.902  3081.22  908.260  4087.41  2400.94  2913.19  981.175   65.612   27.287   73.630   16.785 -8.017738 32.03637 
1 1 1  -87   13   15 o   68.816   16.978  2712.99  942.797  4066.53  2539.52  2496.61  1015.36   58.589   26.166   63.555   18.534 -4.966343 32.06456 
1 1 1  -87   15    1 o  103.120   41.183  6569.07  5205.33   0.0000   0.0000  6569.07  5205.33  ?   ?   103.120   41.183 0.000000 41.18284 
1 1 1  -87   15    2 o   87.363   38.634  3158.65  5400.90   0.0000   0.0000  3158.65  5400.90  ?   ?    87.363   38.634 0.000000 38.63445 
1 1 1  -87   15    3 o   72.963   34.779 -1755.4410  5706.03   0.0000   0.0000 -1755.4410  5706.03  ?   ?    72.963   34.779 0.000000 34.77863 
1 1 1  -87   15    4 o  136.758   54.332 19380.79  9016.40   0.0000   0.0000 19380.79  9016.40  ?   ?   136.758   54.332 0.000000 54.33200 
1 1 1  -87   15    5 o   88.085   41.903  3186.27  8197.73   0.0000   0.0000  3186.27  8197.73  ?   ?    88.085   41.903 0.000000 41.90311 
1 1 1  -87   15    6 o  137.622   61.772 39041.50 14344.68   0.0000   0.0000 39041.50 14344.68  ?   ?   137.622   61.772 0.000000 61.77191 
1 1 1  -87   15    7 o   95.924   46.130 11499.04 10534.97   0.0000   0.0000 11499.04 10534.97  ?   ?    95.924   46.130 0.000000 46.13004 
1 1 1  -87   15    8 o   93.078   46.513 18708.16 14533.20   0.0000   0.0000 18708.16 14533.20  ?   ?    93.078   46.513 0.000000 46.51335 
1 1 1  -87   15    9 o   79.363   11.153  2761.45  698.836 -43.6340  2268.09  3055.69  734.574   51.851   23.774   83.571   11.100 -31.72021 26.23783 
1 1 1  -87   15   10 o   56.101   12.962  1451.40  578.579   0.0000   0.0000  1451.40  578.579  ?   ?    56.101   12.962 0.000000 12.96208 
1 1 1  -87   15   11 o   75.679   11.576  2582.15  688.720  3867.37  2522.78  2478.65  715.915   72.809   28.798   73.585   12.425 -0.7759399 31.36422 
1 1 1  -87   15   12 o   86.036   12.276  3419.95  833.233  3167.17  3031.56  3440.60  866.609   63.103   28.356   85.841   12.827 -22.73777 31.12172 
1 1 1  -87   15   13 o   33.703   13.916  355.839  618.052  2185.52  2644.00  250.083  635.663   55.219   25.448   32.555   13.820 22.66462 28.95792 
1 1 1  -87   15   14 o   48.943   15.457  1310.80  687.161  5365.10  2741.12  1038.93  709.827   65.878   28.348   43.922   15.712 21.95634 32.41156 
1 1 1  -87   17    1 o   62.200   29.811 -2603.2361  4316.97   0.0000   0.0000 -2603.2361  4316.97  ?   ?    62.200   29.811 0.000000 29.81115 
1 1 1  -87   17    2 f   59.148   29.032 -5191.1382  4790.25   0.0000   0.0000 -5191.1382  4790.25  ?   ?    59.148   29.032 0.000000 29.03228 
1 1 1  -87   17    3 o   80.694   38.149  1361.02  6593.43   0.0000   0.0000  1361.02  6593.43  ?   ?    80.694   38.149 0.000000 38.14885 
1 1 1  -87   17    4 o   89.172   41.982  5024.35  7835.60   0.0000   0.0000  5024.35  7835.60  ?   ?    89.172   41.982 0.000000 41.98227 
1 1 1  -87   17    5 o  119.126   55.529 29072.96 13146.99   0.0000   0.0000 29072.96 13146.99  ?   ?   119.126   55.529 0.000000 55.52922 
1 1 1  -87   17    6 o   77.201   38.171  221.858  8799.37   0.0000   0.0000  221.858  8799.37  ?   ?    77.201   38.171 0.000000 38.17070 
1 1 1  -87   17    7 o   96.712   47.126 19779.97 11958.10   0.0000   0.0000 19779.97 11958.10  ?   ?    96.712   47.126 0.000000 47.12609 
1 1 1  -87   17    8 o   60.477   30.872 -12508.2598  8841.56   0.0000   0.0000 -12508.2598  8841.56  ?   ?    60.477   30.872 0.000000 30.87182 
1 1 1  -87   17    9 o   63.873   29.003  1988.09  3270.90  667.299  3358.94 26197.16 14380.52   59.016   27.690   83.586   42.333 -24.57004 50.58459 
1 1 1  -87   17   10 o  171.466   15.822 14093.49  2178.01  3887.70  5247.31 16217.78  2393.98   67.477   32.477  183.208   16.262 -115.7307 36.32053 
1 1 1  -87   17   11 o  112.318   11.843  5753.88  1063.81  5364.53  3560.56  5792.04  1114.72   71.562   31.522  112.050   12.463 -40.48795 33.89636 
1 1 1  -87   17   12 o   34.801   13.562  478.654  552.331  2923.62  2909.56  387.251  562.560   58.492   26.859   33.453   13.475 25.03828 30.04961 
1 1 1  -87   17   13 o   20.899   9.8412 -346.2607  431.001   0.0000   0.0000 -346.2607  431.001  ?   ?    20.899   9.8412 0.000000 9.841217 
1 1 1  -87   19    1 o  103.563   44.807 10269.12  6923.07   0.0000   0.0000 10269.12  6923.07  ?   ?   103.563   44.807 0.000000 44.80671 
1 1 1  -87   19    2 o   80.176   37.973  2557.41  6589.03   0.0000   0.0000  2557.41  6589.03  ?   ?    80.176   37.973 0.000000 37.97313 
1 1 1  -87   19    3 o   78.461   37.871  1840.58  7256.11   0.0000   0.0000  1840.58  7256.11  ?   ?    78.461   37.871 0.000000 37.87063 
1 1 1  -87   19    4 o   87.294   42.162  7539.79  9030.67   0.0000   0.0000  7539.79  9030.67  ?   ?    87.294   42.162 0.000000 42.16213 
1 1 1  -87   19    5 o   81.170   40.061  5326.03  9541.96   0.0000   0.0000  5326.03  9541.96  ?   ?    81.170   40.061 0.000000 40.06050 
1 1 1  -87   19    6 o   85.395   42.505 13441.55 11635.52   0.0000   0.0000 13441.55 11635.52  ?   ?    85.395   42.505 0.000000 42.50524 
1 1 1  -87   19    7 o   56.969   29.207 -15803.2900  8779.45   0.0000   0.0000 -15803.2900  8779.45  ?   ?    56.969   29.207 0.000000 29.20703 
1 1 1  -87   19    8 o   56.713   29.158 -16614.0195  9777.33   0.0000   0.0000 -16614.0195  9777.33  ?   ?    56.713   29.158 0.000000 29.15848 
1 1 1  -87   19    9 o   58.867   30.409 -14679.4102 13037.61   0.0000   0.0000 -14679.4102 13037.61  ?   ?    58.867   30.409 0.000000 30.40934 
1 1 1  -87   19   10 o   60.799   31.556  3794.14 17981.50   0.0000   0.0000  3794.14 17981.50  ?   ?    60.799   31.556 0.000000 31.55630 
1 1 1  -87   19   11 o   31.322   11.535  403.132  386.232   0.0000   0.0000  403.132  386.232  ?   ?    31.322   11.535 0.000000 11.53516 
1 1 1  -87   21    1 o   66.246   32.506 -1726.7271  5989.38   0.0000   0.0000 -1726.7271  5989.38  ?   ?    66.246   32.506 0.000000 32.50560 
1 1 1  -87   21    2 o   59.630   29.877 -6243.3301  6179.12   0.0000   0.0000 -6243.3301  6179.12  ?   ?    59.630   29.877 0.000000 29.87662 
1 1 1  -87   21    3 o  107.980   51.087 30289.79 11863.60   0.0000   0.0000 30289.79 11863.60  ?   ?   107.980   51.087 0.000000 51.08656 
1 1 1  -87   21    4 o   89.564   44.224 19566.59 11677.04   0.0000   0.0000 19566.59 11677.04  ?   ?    89.564   44.224 0.000000 44.22445 
1 1 1  -87   21    5 o   75.451   38.087  7586.29 11075.72   0.0000   0.0000  7586.29 11075.72  ?   ?    75.451   38.087 0.000000 38.08706 
1 1 1  -87   21    6 o   64.336   32.653 -2069.2971  8864.32   0.0000   0.0000 -2069.2971  8864.32  ?   ?    64.336   32.653 0.000000 32.65274 
1 1 1  -87   21    7 o   66.743   34.302  4621.90 13082.25   0.0000   0.0000  4621.90 13082.25  ?   ?    66.743   34.302 0.000000 34.30192 
1 1 1  -87   21    8 o   65.406   33.743 12884.56 15021.90   0.0000   0.0000 12884.56 15021.90  ?   ?    65.406   33.743 0.000000 33.74330 
1 1 1  -87   21    9 o   62.246   32.294 23976.33 18187.96   0.0000   0.0000 23976.33 18187.96  ?   ?    62.246   32.294 0.000000 32.29379 
1 1 1  -87   23    1 o   80.145   39.165 10058.50  8429.84   0.0000   0.0000 10058.50  8429.84  ?   ?    80.145   39.165 0.000000 39.16524 
1 1 1  -87   23    2 o   65.173   32.800 -1000.7690  7878.50   0.0000   0.0000 -1000.7690  7878.50  ?   ?    65.173   32.800 0.000000 32.80037 
1 1 1  -87   23    3 o   76.337   38.341 12346.06 10484.41   0.0000   0.0000 12346.06 10484.41  ?   ?    76.337   38.341 0.000000 38.34056 
1 1 1  -87   23    4 o  ?   ?  -29550.8809  7193.63   0.0000   0.0000 -29550.8809  7193.63  ?   ?   ?   ?  0.000000      ? 
1 1 1  -87   23    5 o   67.368   34.578  8940.03 12691.72   0.0000   0.0000  8940.03 12691.72  ?   ?    67.368   34.578 0.000000 34.57815 
1 1 1  -86    0    1 o  108.941   35.487  6588.02  2778.61   0.0000   0.0000  6588.02  2778.61  108.941   35.487  108.941   35.487 -0.000000 0.000000 
1 1 1  -86    0    2 o  141.327   11.377  8361.30  1286.12  8361.30  1286.12   0.0000   0.0000  141.327   11.377  141.327   11.377 0.000000 0.000000 
1 1 1  -86    0    3 o   85.958   10.458  3158.94  701.073  3158.94  701.073   0.0000   0.0000   85.958   10.458   85.958   10.458 0.000000 0.000000 
1 1 1  -86    0    4 o   41.841   14.582  940.761  447.895  940.761  447.895   0.0000   0.0000   41.841   14.582   41.841   14.582 0.000000 0.000000 
1 1 1  -86    0    5 o  130.154   12.983  7186.71  1340.73   0.0000   0.0000  7186.71  1340.73  130.154   12.983  130.154   12.983 -0.000000 0.000000 
1 1 1  -86    0    6 o  284.849   22.606 35171.68  5152.69   0.0000   0.0000 35171.68  5152.69  284.849   22.606  284.849   22.606 -0.000000 0.000000 
1 1 1  -86    0    7 o   43.058   19.772  1131.91  756.658  1131.91  756.658   0.0000   0.0000   43.058   19.772   43.058   19.772 0.000000 0.000000 
1 1 1  -86    0    8 o  173.443   16.588 12892.12  2286.96 12892.12  2286.96   0.0000   0.0000  173.443   16.588  173.443   16.588 0.000000 0.000000 
1 1 1  -86    0    9 o   39.666   20.711  980.480  873.363  980.480  873.363   0.0000   0.0000   39.666   20.711   39.666   20.711 0.000000 0.000000 
1 1 1  -86    0   10 o   90.455   18.421  3815.07  1197.04   0.0000   0.0000  3815.07  1197.04   90.455   18.421   90.455   18.421 -0.000000 0.000000 
1 1 1  -86    0   11 o   40.961   21.322  1060.39  923.462   0.0000   0.0000  1060.39  923.462   40.961   21.322   40.961   21.322 -0.000000 0.000000 
1 1 1  -86    0   12 o   52.317   23.413  1708.19  1059.05   0.0000   0.0000  1708.19  1059.05   52.317   23.413   52.317   23.413 -0.000000 0.000000 
1 1 1  -86    0   13 o  ?   ?  -3480.1360  646.125   0.0000   0.0000 -3480.1360  646.125  ?   ?   ?   ?  -0.000000 0.000000 
1 1 1  -86    0   14 o   30.380   19.507  160.343  1095.70   0.0000   0.0000  160.343  1095.70   30.380   19.507   30.380   19.507 -0.000000 0.000000 
1 1 1  -86    0   15 o  156.018   22.984 11522.56  2726.30 11522.56  2726.30   0.0000   0.0000  156.018   22.984  156.018   22.984 0.000000 0.000000 
1 1 1  -86    0   16 o   43.407   26.378  1171.81  1734.57   0.0000   0.0000  1171.81  1734.57   43.407   26.378   43.407   26.378 -0.000000 0.000000 
1 1 1  -86    0   17 o   27.588   19.421 -1404.6300  1706.01 -1404.6300  1706.01   0.0000   0.0000   27.588   19.421   27.588   19.421 0.000000 0.000000 
1 1 1  -86    2    1 o  133.948   10.372  7447.44  1119.29  7589.09  1196.28  6452.01  3171.23  135.040   11.006  114.884   32.525 20.15520 34.33705 
1 1 1  -86    2    2 f  108.108   22.659  5290.96  1925.39  5355.22  2651.33  5219.25  2800.63  105.720   29.673  104.012   30.904 1.707962 42.84344 
1 1 1  -86    2    3 o   97.432   7.2635  3909.18  570.499  4162.98  849.469  3700.64  769.990   99.781   10.649   94.121   10.241 5.660011 14.77432 
1 1 1  -86    2    4 o   24.303   9.1754  177.842  247.383  366.398  425.589   81.623  304.018   32.951   12.113   23.880   9.7988 9.071465 15.57986 
1 1 1  -86    2    5 o  191.282   10.389 15203.34  1607.53 15750.76  2331.38 14707.19  2219.51  192.327   15.049  185.940   14.824 6.387115 21.12418 
1 1 1  -86    2    6 o   87.234   8.7661  3168.69  612.509  3040.84  982.332  3250.01  783.457   83.491   15.044   87.662   11.268 -4.170967 18.79574 
1 1 1  -86    2    7 o   95.520   9.2621  3809.86  709.337  4922.34  1125.71  3077.27  913.511  107.291   13.200   84.285   13.828 23.00640 19.11702 
1 1 1  -86    2    8 o   72.219   10.697  2221.37  608.320  1910.78  996.681  2405.76  767.951   64.882   18.187   74.381   13.199 -9.499443 22.47174 
1 1 1  -86    2    9 o   28.634   11.686  148.098  429.439  1231.30  693.744 -524.8127  546.792   52.662   15.309   23.827   11.177 28.83452 18.95518 
1 1 1  -86    2   10 o   93.811   11.118  3760.97  830.406  3277.19  1318.34  4079.16  1069.17   83.282   19.788   96.375   14.078 -13.09345 24.28513 
1 1 1  -86    2   11 o  139.030   11.694  8297.25  1307.83  6718.68  1932.49  9631.19  1776.45  118.373   20.869  147.324   15.062 -28.95150 25.73660 
1 1 1  -86    2   12 o   33.369   14.276   87.814  687.893  1027.52  1112.83 -493.3002  875.113   50.611   19.376   31.765   14.639 18.84639 24.28429 
1 1 1  -86    2   13 o   63.992   16.456  1962.39  859.832  1065.22  1275.39  2709.92  1164.18   51.417   20.432   73.541   19.266 -22.12399 28.08268 
1 1 1  -86    2   14 o   29.008   13.348 -361.5950  723.872 -801.3378  1147.58 -71.0121  932.869   33.927   16.001   35.507   15.858 -1.579990 22.52800 
1 1 1  -86    2   15 o   47.191   17.819  1062.93  933.108  1191.71  1492.26  980.249  1195.70   50.880   21.362   47.486   19.453 3.393951 28.89244 
1 1 1  -86    2   16 o   37.358   16.576  234.198  1002.25 -791.8963  1731.73  751.007  1229.00   38.950   18.724   43.791   18.912 -4.840683 26.61328 
1 1 1  -86    2   17 o   35.014   16.322 -93.0592  1135.91  972.081  1874.81 -710.8486  1427.82   45.254   21.053   34.775   16.788 10.47883 26.92715 
1 1 1  -86    4    1 o   72.352   9.9390  2196.82  568.465  2016.62  581.976  5943.43  2653.66   69.082   10.723  111.705   29.001 -42.62351 30.92035 
1 1 1  -86    4    2 o   25.202   10.422   76.568  347.439   33.675  350.302  2669.08  2723.39   24.522   10.326   80.902   30.466 -56.37995 32.16841 
1 1 1  -86    4    3 o   66.036   12.026  1866.93  621.053  2177.04  630.451 -8302.9863  3610.34   71.656   11.203   46.759   23.338 24.89753 25.88781 
1 1 1  -86    4    4 o  229.428   11.940 21982.27  2216.58 18262.59  3175.33 25517.54  3095.62  204.467   19.357  244.838   15.653 -40.37131 24.89395 
1 1 1  -86    4    5 o  143.729   11.870  8672.40  1372.91  4855.44  4217.90  9124.72  1451.98   98.985   37.763  147.298   12.251 -48.31272 39.70031 
1 1 1  -86    4    6 o   45.522   10.179  892.466  366.807  1801.34  756.749  613.349  419.365   63.925   14.861   38.400   12.068 25.52588 19.14407 
1 1 1  -86    4    7 o   51.509   10.891  1146.33  441.281  649.507  885.235  1310.61  509.036   44.926   17.262   54.953   11.763 -10.02714 20.88876 
1 1 1  -86    4    8 o   67.258   10.616  1931.94  560.506  1157.64  1022.99  2264.11  670.030   53.266   18.883   72.552   11.778 -19.28557 22.25508 
1 1 1  -86    4    9 o  127.890   10.532  6897.16  1083.95  6937.89  1739.96  6871.33  1385.69  124.220   17.756  126.027   13.765 -1.806839 22.46692 
1 1 1  -86    4   10 o  115.212   10.945  5647.77  1011.59  5597.32  1646.68  5678.35  1282.02  109.832   19.162  113.817   14.180 -3.985168 23.83765 
1 1 1  -86    4   11 o   87.226   12.354  3321.77  850.491  4652.62  1502.06  2693.76  1031.83   99.009   19.378   76.047   17.123 22.96284 25.85906 
1 1 1  -86    4   12 o   59.163   13.412  1587.80  629.405 -256.1895  1248.06  2216.72  728.878   40.039   18.073   70.243   13.266 -30.20462 22.41930 
1 1 1  -86    4   13 o   27.568   12.752 -422.8449  673.151 -2248.0930  1314.59  225.833  783.691   30.522   15.027   36.395   15.391 -5.872705 21.51027 
1 1 1  -86    4   14 o   53.737   17.285  1431.52  856.303   28.504  1433.06  2210.64  1067.92   42.877   19.360   65.163   19.009 -22.28571 27.13156 
1 1 1  -86    4   15 o   26.436   12.713 -893.3854  800.010  815.175  1465.43 -1618.7860  954.854   47.382   20.557   25.911   12.766 21.47042 24.19846 
1 1 1  -86    4   16 o   52.762   18.643  1598.23  996.392  3557.93  1999.74  951.043  1149.20   66.153   25.798   44.957   18.803 21.19601 31.92302 
1 1 1  -86    4   17 o   42.662   18.156  950.312  1102.03 -86.0889  2045.65  1374.08  1308.07   41.105   19.905   46.753   19.834 -5.648232 28.09972 
1 1 1  -86    6    1 o   66.090   27.502  957.212  2440.79   0.0000   0.0000  957.212  2440.79  ?   ?    66.090   27.502 0.000000 27.50169 
1 1 1  -86    6    2 o  113.371   36.903  6625.12  3895.55   0.0000   0.0000  6625.12  3895.55  ?   ?   113.371   36.903 0.000000 36.90264 
1 1 1  -86    6    3 o   60.942   15.368  1630.86  760.281  1211.17  773.307 13774.40  4159.65   53.160   16.336  168.122   31.632 -114.9625 35.60149 
1 1 1  -86    6    4 o   78.557   16.080  2713.38  991.115  2523.70  1010.58  7495.03  5074.02   75.452   16.914  115.820   41.937 -40.36842 45.21916 
1 1 1  -86    6    5 o  208.653   12.330 18283.28  2079.59 12751.95  3048.89 23095.41  2843.78  167.295   23.058  232.683   15.134 -65.38776 27.58090 
1 1 1  -86    6    6 o   79.157   8.9731  2620.62  566.539  728.625  1091.73  3317.91  662.765   48.729   19.045   89.093   9.2988 -40.36406 21.19386 
1 1 1  -86    6    7 o   83.053   9.0728  2888.43  601.884  3655.56  1209.39  2635.87  693.924   90.499   17.084   78.674   11.177 11.82539 20.41586 
1 1 1  -86    6    8 o   31.718   10.750  395.061  329.889  104.434  971.939  432.901  350.708   39.687   16.974   33.000   11.085 6.687767 20.27278 
1 1 1  -86    6    9 o  156.696   11.143 10392.53  1408.53 10345.96  2263.43 10421.97  1799.39  150.828   18.897  154.785   14.486 -3.956482 23.81009 
1 1 1  -86    6   10 o  206.528   13.787 18528.48  2298.64 15282.08  3498.07 20995.59  3049.45  174.729   25.400  215.612   17.571 -40.88293 30.88541 
1 1 1  -86    6   11 o  139.593   11.507  8379.01  1292.68  8512.64  2105.16  8298.12  1637.83  133.665   20.012  136.291   15.051 -2.626587 25.04061 
1 1 1  -86    6   12 o   36.134   14.248  399.326  615.762 -45.3207  1218.21  551.917  713.639   41.015   18.233   39.912   15.454 1.102615 23.90081 
1 1 1  -86    6   13 o   40.057   16.069  516.689  796.393  729.684  1340.92  400.613  989.889   48.203   20.245   41.232   17.360 6.970325 26.66876 
1 1 1  -86    6   14 o   55.799   17.781  1582.73  907.823  912.375  1420.39  2045.68  1180.38   49.165   20.752   61.524   20.327 -12.35889 29.04944 
1 1 1  -86    6   15 o   26.993   12.722 -544.2510  722.994 -1374.7540  1176.81 -40.7181  916.322   30.595   14.881   34.511   15.541 -3.915958 21.51633 
1 1 1  -86    6   16 o   28.133   13.328 -556.1801  812.835   23.128  1387.94 -858.5867  1002.79   39.185   18.191   29.578   14.226 9.607924 23.09310 
1 1 1  -86    6   17 o   32.051   14.883 -111.5277  929.843 -916.6339  1576.58  317.897  1151.42   34.700   16.953   37.280   17.036 -2.580173 24.03387 
1 1 1  -86    8    1 o  163.604   39.010 14136.42  5109.08   0.0000   0.0000 14136.42  5109.08  ?   ?   163.604   39.010 0.000000 39.00953 
1 1 1  -86    8    2 o   67.002   30.316 -633.7289  3535.46   0.0000   0.0000 -633.7289  3535.46  ?   ?    67.002   30.316 0.000000 30.31577 
1 1 1  -86    8    3 o  125.280   44.283  9234.13  5621.96   0.0000   0.0000  9234.13  5621.96  ?   ?   125.280   44.283 0.000000 44.28277 
1 1 1  -86    8    4 o   67.680   32.094 -3055.8101  4735.17   0.0000   0.0000 -3055.8101  4735.17  ?   ?    67.680   32.094 0.000000 32.09418 
1 1 1  -86    8    5 o   26.349   11.417 -44.8621  450.820 -37.7053  452.513 -996.3430  5217.62   26.500   11.460   76.092   35.305 -49.59190 37.11851 
1 1 1  -86    8    6 o  184.490   13.442 14474.93  1999.82  7090.27  2993.87 20424.49  2687.26  117.276   30.978  217.903   15.285 -100.6274 34.54404 
1 1 1  -86    8    7 o   53.260   9.4278  1210.81  392.786  294.469  906.036  1422.88  435.876   40.644   16.821   57.790   9.6278 -17.14627 19.38165 
1 1 1  -86    8    8 o   77.655   9.5287  2546.73  588.213  1253.23  1141.77  3014.07  686.295   55.159   19.906   84.337   10.231 -29.17747 22.38111 
1 1 1  -86    8    9 o  128.492   10.327  6975.13  1068.37  5787.40  1846.99  7572.36  1309.72  110.232   21.407  132.867   12.279 -22.63488 24.67900 
1 1 1  -86    8   10 o   90.104   10.645  3475.43  763.753  1960.94  1423.07  4088.15  905.159   64.296   22.311   97.324   11.688 -33.02797 25.18679 
1 1 1  -86    8   11 o   82.008   11.497  2930.40  744.506  224.443  1367.90  4069.37  887.467   45.481   19.797   96.840   11.512 -51.35884 22.90072 
1 1 1  -86    8   12 o   54.681   14.252  1385.76  639.197  1050.44  1211.73  1515.04  752.396   50.964   20.022   56.632   15.776 -5.667999 25.49044 
1 1 1  -86    8   13 o   42.241   15.573  749.007  704.227  1912.12  1213.18  157.915  864.852   60.535   20.615   36.679   15.853 23.85615 26.00591 
1 1 1  -86    8   14 o   52.596   16.686  1391.60  800.073  554.474  1466.35  1746.46  954.705   46.089   20.267   57.755   18.217 -11.66575 27.25090 
1 1 1  -86    8   15 o   52.056   17.101  1443.84  835.882  3750.93  1480.36  363.988  1012.78   77.816   22.289   38.997   17.003 38.81823 28.03392 
1 1 1  -86    8   16 o   49.753   17.152  1408.10  840.435  616.715  1679.42  1672.51  970.730   43.763   20.208   52.821   18.421 -9.058441 27.34379 
1 1 1  -86    8   17 o   27.792   13.100 -336.5934  767.032  1381.92  1584.70 -862.3862  876.554   44.995   20.333   26.436   12.854 18.55905 24.05543 
1 1 1  -86   10    1 o   95.902   35.661  4438.17  3708.37   0.0000   0.0000  4438.17  3708.37  ?   ?    95.902   35.661 0.000000 35.66122 
1 1 1  -86   10    2 o  154.344   45.357 14286.00  6060.37   0.0000   0.0000 14286.00  6060.37  ?   ?   154.344   45.357 0.000000 45.35705 
1 1 1  -86   10    3 o  123.009   44.005  9132.45  5567.54   0.0000   0.0000  9132.45  5567.54  ?   ?   123.009   44.005 0.000000 44.00480 
1 1 1  -86   10    4 o  215.833   55.417 32526.47  9761.84   0.0000   0.0000 32526.47  9761.84  ?   ?   215.833   55.417 0.000000 55.41705 
1 1 1  -86   10    5 o  143.713   54.296 16873.07  8666.84   0.0000   0.0000 16873.07  8666.84  ?   ?   143.713   54.296 0.000000 54.29645 
1 1 1  -86   10    6 o  124.690   50.176 12336.90  7791.49   0.0000   0.0000 12336.90  7791.49  ?   ?   124.690   50.176 0.000000 50.17647 
1 1 1  -86   10    7 o   46.370   10.485  933.684  385.497  191.588  910.708  1095.68  425.497   39.458   16.634   50.242   10.755 -10.78369 19.80803 
1 1 1  -86   10    8 o   38.879   10.433  656.383  336.199  542.211  1082.95  668.560  353.674   45.731   18.598   39.239   10.773 6.492352 21.49269 
1 1 1  -86   10    9 o   29.038   11.675  190.100  421.395 -77.2853  981.589  250.512  466.577   37.673   16.574   31.171   12.367 6.501867 20.67937 
1 1 1  -86   10   10 o  103.651   10.526  4596.28  873.589  3652.76  1726.04  4921.20  1012.90   83.802   24.086  106.546   11.912 -22.74406 26.87068 
1 1 1  -86   10   11 o   29.554   11.969  198.808  446.409  1120.04  1274.08   69.885  476.624   52.561   20.565   28.237   11.976 24.32408 23.79822 
1 1 1  -86   10   12 o   60.425   14.380  1706.71  695.321  3249.31  1454.31  1249.59  791.669   77.946   22.011   51.395   16.629 26.55143 27.58676 
1 1 1  -86   10   13 o   42.155   14.753  793.703  622.922 -2206.3169  1468.89  1451.53  687.836   32.468   15.965   54.817   15.012 -22.34846 21.91473 
1 1 1  -86   10   14 o  111.728   13.943  5913.57  1237.38  5598.77  2231.19  6053.39  1487.00   88.215   27.851  109.026   17.381 -20.81147 32.82982 
1 1 1  -86   10   15 o   36.402   15.418  401.121  788.278 -247.5516  1738.21  569.069  884.458   41.120   19.483   39.285   16.468 1.834400 25.51069 
1 1 1  -86   10   16 o   62.206   18.375  2362.42  992.335  2848.87  1888.12  2176.77  1166.42   56.535   23.898   56.673   20.156 -0.1381645 31.26304 
1 1 1  -86   12    1 o   90.756   36.091  3733.69  3982.16   0.0000   0.0000  3733.69  3982.16  ?   ?    90.756   36.091 0.000000 36.09130 
1 1 1  -86   12    2 o   85.814   36.401  2634.99  4404.89   0.0000   0.0000  2634.99  4404.89  ?   ?    85.814   36.401 0.000000 36.40118 
1 1 1  -86   12    3 o  100.940   41.619  5408.13  5517.50   0.0000   0.0000  5408.13  5517.50  ?   ?   100.940   41.619 0.000000 41.61943 
1 1 1  -86   12    4 o   85.721   38.585  1813.40  5641.97   0.0000   0.0000  1813.40  5641.97  ?   ?    85.721   38.585 0.000000 38.58524 
1 1 1  -86   12    5 o   78.203   37.660 -2917.9810  7079.94   0.0000   0.0000 -2917.9810  7079.94  ?   ?    78.203   37.660 0.000000 37.66026 
1 1 1  -86   12    6 o  115.913   49.536 11479.94  8266.24   0.0000   0.0000 11479.94  8266.24  ?   ?   115.913   49.536 0.000000 49.53601 
1 1 1  -86   12    7 o   98.120   45.343  6660.23  8480.64   0.0000   0.0000  6660.23  8480.64  ?   ?    98.120   45.343 0.000000 45.34329 
1 1 1  -86   12    8 o  156.602   13.068 10603.59  1646.48  4678.52  3059.47 13019.17  1953.49   89.876   32.561  172.821   14.043 -82.94506 35.46012 
1 1 1  -86   12    9 o  141.327   13.054  8706.20  1481.10   0.0000   0.0000  8706.20  1481.10  ?   ?   141.327   13.054 0.000000 13.05442 
1 1 1  -86   12   10 o   55.270   12.015  1364.36  523.795  3157.20  1630.40  1158.02  553.117   77.314   23.713   50.520   13.301 26.79382 27.18909 
1 1 1  -86   12   11 o   99.103   11.306  4295.98  893.492  2458.72  2057.33  4723.06  991.921   67.181   26.175  103.486   12.029 -36.30574 28.80711 
1 1 1  -86   12   12 o   44.837   13.951  929.546  562.034  4576.03  1741.04  505.342  593.826   90.146   23.533   36.982   14.155 53.16388 27.46230 
1 1 1  -86   12   13 o   33.199   13.844  257.035  620.394  945.117  1618.59  138.537  671.693   49.917   21.631   32.608   14.032 17.30868 25.78360 
1 1 1  -86   12   14 o   42.083   15.261  841.493  672.287 -1745.6000  1842.63  1238.76  722.062   37.044   18.147   49.078   15.881 -12.03344 24.11474 
1 1 1  -86   12   15 f   48.458   16.735  1304.88  800.219  2808.49  2085.80  1045.37  866.527   57.345   24.702   44.385   17.073 12.95995 30.02795 
1 1 1  -86   14    1 o  185.959   49.041 22744.99  7511.04   0.0000   0.0000 22744.99  7511.04  ?   ?   185.959   49.041 0.000000 49.04149 
1 1 1  -86   14    2 o   98.737   40.716  5278.96  5281.14   0.0000   0.0000  5278.96  5281.14  ?   ?    98.737   40.716 0.000000 40.71558 
1 1 1  -86   14    3 o  206.455   56.584 32906.32  9767.37   0.0000   0.0000 32906.32  9767.37  ?   ?   206.455   56.584 0.000000 56.58393 
1 1 1  -86   14    4 o   92.484   41.370  3914.02  6375.58   0.0000   0.0000  3914.02  6375.58  ?   ?    92.484   41.370 0.000000 41.36960 
1 1 1  -86   14    5 o   97.339   44.425  5664.27  7799.03   0.0000   0.0000  5664.27  7799.03  ?   ?    97.339   44.425 0.000000 44.42521 
1 1 1  -86   14    6 o  112.393   50.155 12972.78  9311.59   0.0000   0.0000 12972.78  9311.59  ?   ?   112.393   50.155 0.000000 50.15548 
1 1 1  -86   14    7 o  125.894   56.001 24011.86 11509.65   0.0000   0.0000 24011.86 11509.65  ?   ?   125.894   56.001 0.000000 56.00052 
1 1 1  -86   14    8 f   69.070   27.616  2243.72  2343.63  1258.67  2385.38 29645.38 12581.09   62.299   26.617  123.680   56.438 -61.38104 62.39956 
1 1 1  -86   14    9 o   45.975   11.550  942.440  430.591 -1124.5520  1690.09  1085.92  445.285   41.305   19.462   49.426   11.337 -8.121155 22.52314 
1 1 1  -86   14   10 o   54.403   11.817  1329.37  507.059  3466.75  2001.51  1182.78  524.159   77.285   26.479   50.969   12.709 26.31615 29.37062 
1 1 1  -86   14   11 o   92.482   11.835  3806.80  868.312 -2078.3081  2569.48  4565.52  922.588   45.438   22.074  101.708   11.366 -56.27038 24.82823 
1 1 1  -86   14   12 o   35.367   13.786  446.173  570.871 -1742.3490  2112.87  618.520  592.923   41.232   20.027   38.570   14.276 2.661167 24.59459 
1 1 1  -86   14   13 o   30.010   12.503  203.284  505.373  297.075  2305.84  198.551  517.967   48.587   22.843   30.183   12.624 18.40314 26.09936 
1 1 1  -86   14   14 o   55.317   16.663  1675.04  810.073 -527.2330  2674.12  1897.56  850.013   45.044   22.022   58.729   16.909 -13.68473 27.76502 
1 1 1  -86   14   15 o   87.811   15.638  4150.26  1074.12  5642.87  2940.84  3920.50  1153.83   63.023   28.151   82.241   17.796 -19.21866 33.30381 
1 1 1  -86   16    1 o   51.016   25.074 -5356.1909  3610.21   0.0000   0.0000 -5356.1909  3610.21  ?   ?    51.016   25.074 0.000000 25.07371 
1 1 1  -86   16    2 o   88.740   39.234  3482.48  5566.68   0.0000   0.0000  3482.48  5566.68  ?   ?    88.740   39.234 0.000000 39.23426 
1 1 1  -86   16    3 o  103.349   44.955  7662.36  7043.88   0.0000   0.0000  7662.36  7043.88  ?   ?   103.349   44.955 0.000000 44.95451 
1 1 1  -86   16    4 o  190.684   64.780 41254.83 11978.84   0.0000   0.0000 41254.83 11978.84  ?   ?   190.684   64.780 0.000000 64.77995 
1 1 1  -86   16    5 o   46.307   23.719 -20301.1895  5650.09   0.0000   0.0000 -20301.1895  5650.09  ?   ?    46.307   23.719 0.000000 23.71899 
1 1 1  -86   16    6 o  118.342   53.771 21655.10 11265.77   0.0000   0.0000 21655.10 11265.77  ?   ?   118.342   53.771 0.000000 53.77122 
1 1 1  -86   16    7 o   85.436   41.857  4536.81  9812.27   0.0000   0.0000  4536.81  9812.27  ?   ?    85.436   41.857 0.000000 41.85720 
1 1 1  -86   16    8 o   88.207   43.567 10515.12 11362.07   0.0000   0.0000 10515.12 11362.07  ?   ?    88.207   43.567 0.000000 43.56749 
1 1 1  -86   16    9 o   57.987   12.179  1515.07  555.178 -1754.7300  2517.69  1682.19  569.189   47.017   22.595   61.321   11.861 -14.30462 25.51914 
1 1 1  -86   16   10 o   69.438   12.157  2175.83  660.431   0.0000   0.0000  2175.83  660.431  ?   ?    69.438   12.157 0.000000 12.15660 
1 1 1  -86   16   11 o   79.481   11.367  2836.63  712.659  3934.16  2700.52  2754.48  738.851   72.158   29.360   77.841   12.082 -5.682228 31.74842 
1 1 1  -86   16   12 o   40.120   13.321  749.231  506.693 -33.2892  2426.35  784.912  518.116   48.217   22.896   40.904   13.465 7.312862 26.56230 
1 1 1  -86   16   13 o   32.074   13.479  264.390  595.033  3263.42  2800.69  122.617  608.935   59.679   26.994   30.500   13.242 29.17894 30.06704 
1 1 1  -86   16   14 o   47.370   15.153  1217.02  658.814  4428.24  3315.49  1085.01  672.219   57.268   27.067   44.808   15.345 12.46000 31.11465 
1 1 1  -86   18    1 o   92.847   40.371  5333.87  5676.60   0.0000   0.0000  5333.87  5676.60  ?   ?    92.847   40.371 0.000000 40.37128 
1 1 1  -86   18    2 o  128.727   51.058 16462.08  7950.56   0.0000   0.0000 16462.08  7950.56  ?   ?   128.727   51.058 0.000000 51.05812 
1 1 1  -86   18    3 o   89.301   41.455  4708.48  7207.14   0.0000   0.0000  4708.48  7207.14  ?   ?    89.301   41.455 0.000000 41.45489 
1 1 1  -86   18    4 o   74.322   36.225 -1580.4750  7077.70   0.0000   0.0000 -1580.4750  7077.70  ?   ?    74.322   36.225 0.000000 36.22466 
1 1 1  -86   18    5 o  110.557   51.868 21718.17 11780.68   0.0000   0.0000 21718.17 11780.68  ?   ?   110.557   51.868 0.000000 51.86823 
1 1 1  -86   18    6 o   71.962   35.918 -3283.5090  8551.88   0.0000   0.0000 -3283.5090  8551.88  ?   ?    71.962   35.918 0.000000 35.91827 
1 1 1  -86   18    7 o   84.226   41.711  8794.86 10664.33   0.0000   0.0000  8794.86 10664.33  ?   ?    84.226   41.711 0.000000 41.71142 
1 1 1  -86   18    8 o   70.941   35.973 -1183.6090 10595.91   0.0000   0.0000 -1183.6090 10595.91  ?   ?    70.941   35.973 0.000000 35.97260 
1 1 1  -86   18    9 o   61.698   27.086  1890.57  2609.66  1832.16  2654.91  3560.21 14194.90   61.481   27.143   70.739   36.324 -9.258442 45.34485 
1 1 1  -86   18   10 o   59.254   12.288  1623.36  571.835  5233.50  3242.89  1507.51  580.938   76.878   31.821   56.712   12.906 20.16605 34.33873 
1 1 1  -86   18   11 o   69.069   11.352  2183.82  614.501  4305.69  3395.86  2111.98  624.816   66.885   30.036   67.595   11.814 -0.7104950 32.27581 
1 1 1  -86   18   12 o   52.004   13.416  1339.96  570.237   0.0000   0.0000  1339.96  570.237  ?   ?    52.004   13.416 0.000000 13.41589 
1 1 1  -86   20    1 o   72.301   34.532   66.812  5683.60   0.0000   0.0000   66.812  5683.60  ?   ?    72.301   34.532 0.000000 34.53165 
1 1 1  -86   20    2 o   92.290   42.599  7848.68  7452.99   0.0000   0.0000  7848.68  7452.99  ?   ?    92.290   42.599 0.000000 42.59913 
1 1 1  -86   20    3 o   70.532   34.691 -1953.5129  6952.50   0.0000   0.0000 -1953.5129  6952.50  ?   ?    70.532   34.691 0.000000 34.69142 
1 1 1  -86   20    4 o   75.210   37.181  386.635  8340.23   0.0000   0.0000  386.635  8340.23  ?   ?    75.210   37.181 0.000000 37.18146 
1 1 1  -86   20    5 o   80.772   40.008  5939.01  9827.79   0.0000   0.0000  5939.01  9827.79  ?   ?    80.772   40.008 0.000000 40.00834 
1 1 1  -86   20    6 o   83.492   41.757 13195.46 11820.05   0.0000   0.0000 13195.46 11820.05  ?   ?    83.492   41.757 0.000000 41.75658 
1 1 1  -86   20    7 o   80.492   40.740 17228.38 13185.86   0.0000   0.0000 17228.38 13185.86  ?   ?    80.492   40.740 0.000000 40.74013 
1 1 1  -86   20    8 o   66.387   34.054 -217.8268 12112.58   0.0000   0.0000 -217.8268 12112.58  ?   ?    66.387   34.054 0.000000 34.05428 
1 1 1  -86   20    9 o   65.081   33.586  6426.14 15123.36   0.0000   0.0000  6426.14 15123.36  ?   ?    65.081   33.586 0.000000 33.58596 
1 1 1  -86   20   10 o   74.902   11.018  2555.52  650.070   0.0000   0.0000  2555.52  650.070  ?   ?    74.902   11.018 0.000000 11.01807 
1 1 1  -86   20   11 o   56.488   29.401 17463.37 22824.49   0.0000   0.0000 17463.37 22824.49  ?   ?    56.488   29.401 0.000000 29.40131 
1 1 1  -86   22    1 o   81.538   38.969  6022.88  7262.88   0.0000   0.0000  6022.88  7262.88  ?   ?    81.538   38.969 0.000000 38.96863 
1 1 1  -86   22    2 o   77.724   37.951  4614.34  7867.23   0.0000   0.0000  4614.34  7867.23  ?   ?    77.724   37.951 0.000000 37.95073 
1 1 1  -86   22    3 o   44.564   22.871 -17990.1895  5534.64   0.0000   0.0000 -17990.1895  5534.64  ?   ?    44.564   22.871 0.000000 22.87088 
1 1 1  -86   22    4 o   78.320   39.221  9132.18 10585.89   0.0000   0.0000  9132.18 10585.89  ?   ?    78.320   39.221 0.000000 39.22104 
1 1 1  -86   22    5 o   68.685   34.928  518.502 10499.33   0.0000   0.0000  518.502 10499.33  ?   ?    68.685   34.928 0.000000 34.92804 
1 1 1  -86   22    6 o   68.261   34.937  3719.07 12028.66   0.0000   0.0000  3719.07 12028.66  ?   ?    68.261   34.937 0.000000 34.93681 
1 1 1  -86   22    7 o   66.044   33.978  6374.38 13606.75   0.0000   0.0000  6374.38 13606.75  ?   ?    66.044   33.978 0.000000 33.97818 
1 1 1  -86   22    8 o   63.732   32.923 12333.71 15293.86   0.0000   0.0000 12333.71 15293.86  ?   ?    63.732   32.923 0.000000 32.92266 
1 1 1  -86   24    3 o   62.026   31.578 -2962.4651  8771.17   0.0000   0.0000 -2962.4651  8771.17  ?   ?    62.026   31.578 0.000000 31.57845 
1 1 1  -85    1    1 o  198.627   13.152 16486.26  2109.13 17151.72  2353.92 13776.59  4749.93  202.028   14.445  166.939   36.093 35.08829 38.87664 
1 1 1  -85    1    2 o  130.291   10.454  7048.02  1096.63  6908.54  1176.65  7970.07  3025.41  128.726   11.375  129.853   29.380 -1.126968 31.50541 
1 1 1  -85    1    3 o  146.388   8.5699  8830.00  1014.19  9200.02  1452.00  8477.52  1417.19  148.349   12.161  142.288   12.390 6.061188 17.36132 
1 1 1  -85    1    4 o  123.829   8.0504  6318.51  805.031  6353.53  1158.10  6285.76  1119.83  123.170   11.721  122.615   11.378 0.5551071 16.33515 
1 1 1  -85    1    5 o  130.979   8.6810  7088.97  918.004  6604.22  1323.61  7538.27  1274.30  124.951   13.248  134.106   11.824 -9.154587 17.75707 
1 1 1  -85    1    6 o   35.498   10.898  524.960  344.273 -48.8489  611.643  791.058  416.519   30.740   13.309   42.868   11.658 -12.12847 17.69291 
1 1 1  -85    1    7 o  158.404   10.539 10471.82  1347.78 11492.29  1967.57  9569.71  1849.95  163.782   14.961  149.057   15.512 14.72520 21.55118 
1 1 1  -85    1    8 o  194.607   11.993 15954.92  1885.78 16115.75  2703.82 15802.58  2631.43  191.698   17.566  190.072   17.238 1.625107 24.61141 
1 1 1  -85    1    9 o   49.721   12.773  1086.05  518.391  1066.57  807.870  1099.69  675.890   50.242   16.824   50.163   15.245 0.7889175E-01 22.70391 
1 1 1  -85    1   10 o   41.431   13.927  706.746  553.574  872.041  813.168  563.979  755.727   46.880   16.812   41.496   15.948 5.384731 23.17304 
1 1 1  -85    1   11 o   39.795   14.502  597.617  608.158  721.818  862.506  474.811  857.646   44.888   17.088   41.526   16.670 3.362259 23.87190 
1 1 1  -85    1   12 o  123.195   12.291  6593.13  1213.08  4763.79  1780.01  8179.59  1657.64   96.907   22.972  134.936   15.406 -38.02897 27.65938 
1 1 1  -85    1   13 o  102.791   13.096  4699.23  1068.17  3849.33  1559.60  5450.17  1465.99   86.112   22.172  107.475   17.393 -21.36306 28.18048 
1 1 1  -85    1   14 o   87.163   15.114  3555.89  1030.87  4511.35  1505.56  2712.57  1414.45   93.600   20.387   70.551   22.162 23.04915 30.11283 
1 1 1  -85    1   15 o   59.670   19.101  1893.70  1046.62  1960.09  1683.50  1851.88  1336.23   58.934   23.457   58.060   21.443 0.8736763 31.78089 
1 1 1  -85    1   16 o   37.629   16.215  348.703  899.447 -1122.0780  1681.36  938.335  1064.58   37.705   18.207   45.289   18.431 -7.584156 25.90742 
1 1 1  -85    1   17 o  103.732   19.528  6302.21  1584.45  6725.61  2415.20  5982.31  2099.35   83.997   29.070   84.685   27.046 -0.6886978 39.70557 
1 1 1  -85    1   18 f   42.045   18.655  1011.66  1269.55  1035.74  2043.43  996.525  1620.18   43.318   20.693   42.520   19.709 0.7973099 28.57737 
1 1 1  -85    3    1 o  209.095   12.332 18207.97  2084.43 18207.97  2084.43   0.0000   0.0000  209.095   12.332  ?   ?  0.000000 12.33196 
1 1 1  -85    3    2 o   70.533   10.805  2100.55  599.110  2100.55  599.110   0.0000   0.0000   70.533   10.805  ?   ?  0.000000 10.80529 
1 1 1  -85    3    3 o  191.970   15.544 15631.71  2402.09 15631.71  2402.09   0.0000   0.0000  191.970   15.544  ?   ?  0.000000 15.54396 
1 1 1  -85    3    4 o  146.020   11.354  8896.28  1335.62  7087.60  4009.60  9122.02  1416.51  116.818   37.385  147.673   11.915 -30.85477 39.23745 
1 1 1  -85    3    5 o  206.781   10.886 17781.59  1821.29 17571.81  2627.62 17975.57  2526.71  202.743   16.094  205.597   15.244 -2.854019 22.16767 
1 1 1  -85    3    6 o   25.081   9.6935  171.045  280.385  389.792  591.669  107.693  318.408   36.537   14.092   24.845   10.092 11.69203 17.33333 
1 1 1  -85    3    7 o   78.326   9.3412  2571.69  582.363  1997.17  988.032  2877.54  720.899   66.670   17.883   82.427   11.049 -15.75726 21.02082 
1 1 1  -85    3    8 o  133.357   10.283  7444.97  1104.91  5860.86  1682.45  8646.29  1465.14  114.247   18.790  142.637   12.786 -28.39085 22.72800 
1 1 1  -85    3    9 o   20.014   9.3660 -362.6430  380.020 -949.6273  740.800 -153.0085  442.710   25.939   12.410   24.563   10.950 1.376019 16.55061 
1 1 1  -85    3   10 o  201.866   12.967 17463.63  2114.16 17467.13  3134.64 17460.71  2863.48  194.959   20.090  197.060   18.098 -2.100830 27.03970 
1 1 1  -85    3   11 f  255.068   15.558 28768.58  3206.80 28741.20  4678.98 28792.84  4403.72  241.608   24.175  244.817   22.402 -3.208832 32.95863 
1 1 1  -85    3   12 o   66.857   15.105  2051.57  800.686  1715.29  1325.22  2244.91  1004.83   60.418   21.484   68.682   17.853 -8.263702 27.93413 
1 1 1  -85    3   13 o   26.695   12.576 -641.2749  705.013 -375.5879  1259.64 -762.4673  850.746   39.092   17.846   29.150   13.757 9.942703 22.53328 
1 1 1  -85    3   14 o   73.102   16.502  2591.96  956.287  1684.92  1533.22  3169.47  1223.42   58.037   22.601   78.774   19.283 -20.73615 29.70935 
1 1 1  -85    3   15 o   75.220   17.324  2875.86  1036.27  1799.19  1655.13  3570.03  1328.99   57.220   23.091   81.024   20.255 -23.80376 30.71607 
1 1 1  -85    3   16 o   61.774   18.113  2107.86  967.442   68.175  1854.09  2870.95  1134.06   44.183   20.680   71.357   19.166 -27.17419 28.19611 
1 1 1  -85    3   17 o   53.752   20.086  1884.40  1179.31 -68.4973  2049.32  2851.32  1442.00   42.221   20.315   62.550   22.393 -20.32907 30.23468 
1 1 1  -85    3   18 o   40.235   18.123  806.483  1246.92 -1242.0450  2136.72  1864.39  1535.50   36.429   18.146   47.806   20.887 -11.37774 27.66865 
1 1 1  -85    5    1 o  181.406   11.788 13698.15  1726.94 12701.08  1872.31 19381.38  4470.06  174.044   13.351  205.773   27.438 -31.72881 30.51332 
1 1 1  -85    5    2 o  101.114   11.458  4287.77  924.119  4373.47  956.571  3088.48  3578.23  102.047   11.760   88.110   34.467 13.93707 36.41834 
1 1 1  -85    5    3 o  121.359   12.171  6183.10  1183.20  5675.94  1227.47 12836.86  4446.02  115.859   13.288  160.047   35.172 -44.18729 37.59880 
1 1 1  -85    5    4 o  175.302   14.293 13001.90  2016.71 11882.15  2136.27 22173.76  6114.00  166.699   15.979  207.986   37.587 -41.28661 40.84249 
1 1 1  -85    5    5 o   76.262   8.3403  2419.50  508.026  1524.52  932.913  2796.78  605.714   59.081   17.901   81.836   9.2796 -22.75526 20.16307 
1 1 1  -85    5    6 o  188.038   14.569 15057.77  2207.02  4839.28  6305.11 16484.62  2356.07  101.703   43.358  196.603   14.869 -94.89993 45.83653 
1 1 1  -85    5    7 o  139.381   9.8431  8096.72  1106.81  8763.88  1836.15  7715.95  1387.16  142.021   16.213  134.842   12.824 7.179092 20.67192 
1 1 1  -85    5    8 o  125.961   10.481  6660.13  1062.25  4345.97  1781.96  7935.75  1323.01   95.554   23.200  136.884   12.025 -41.32938 26.13126 
1 1 1  -85    5    9 o  145.987   10.898  8985.93  1282.45  8830.31  2075.48  9082.04  1631.10  139.855   18.749  145.042   14.025 -5.186142 23.41414 
1 1 1  -85    5   10 o  104.765   11.033  4674.06  924.407  2728.69  1600.38  5648.09  1132.42   74.652   23.590  114.610   12.365 -39.95868 26.63398 
1 1 1  -85    5   11 o   90.289   11.908  3532.22  851.693  2642.68  1526.68  3934.16  1026.23   72.808   23.044   94.402   13.796 -21.59391 26.85769 
1 1 1  -85    5   12 o   53.644   15.085  1323.86  684.549  1211.97  1356.46  1362.10  792.925   54.543   21.253   54.209   16.521 0.3336411 26.91918 
1 1 1  -85    5   13 o   80.921   15.559  3055.02  985.201  3482.65  1597.90  2792.77  1251.35   80.380   23.196   74.081   20.232 6.298904 30.77975 
1 1 1  -85    5   14 o   90.354   14.467  3799.59  1025.54  2376.83  1642.40  4708.81  1312.95   64.829   23.800   98.471   17.038 -33.64211 29.27007 
1 1 1  -85    5   15 o   34.565   15.031  143.445  787.007 -659.6876  1302.55  605.217  987.674   36.298   17.098   42.074   17.500 -5.775757 24.46599 
1 1 1  -85    5   16 o   35.285   15.532  187.020  863.216  1046.84  1424.72 -311.6914  1085.05   47.369   20.410   34.405   16.009 12.96470 25.93988 
1 1 1  -85    5   17 o   62.326   20.427  2588.78  1192.83  4202.97  2102.98  1823.10  1448.37   65.564   26.179   51.106   21.219 14.45752 33.69847 
1 1 1  -85    7    1 o   98.216   34.702  4571.40  3452.09   0.0000   0.0000  4571.40  3452.09  ?   ?    98.216   34.702 0.000000 34.70192 
1 1 1  -85    7    2 o  180.937   40.544 17293.69  5808.96   0.0000   0.0000 17293.69  5808.96  ?   ?   180.937   40.544 0.000000 40.54432 
1 1 1  -85    7    3 o  159.398   44.457 14453.47  5971.03   0.0000   0.0000 14453.47  5971.03  ?   ?   159.398   44.457 0.000000 44.45705 
1 1 1  -85    7    4 o   89.520   14.631  3459.20  1026.77  2935.54  1046.66 16845.15  5291.83   81.748   16.340  179.953   37.436 -98.20544 40.84641 
1 1 1  -85    7    5 o   75.287   16.072  2501.11  952.572  2250.26  965.582 11622.19  5822.44   71.107   16.961  138.334   45.120 -67.22677 48.20251 
1 1 1  -85    7    6 o  122.117   9.2912  6200.77  914.358  4514.26  1519.78  7157.58  1144.71  100.084   19.402  130.697   10.886 -30.61257 22.24711 
1 1 1  -85    7    7 o   73.999   10.410  2321.09  608.215   0.0000   0.0000  2321.09  608.215  ?   ?    73.999   10.410 0.000000 10.41044 
1 1 1  -85    7    8 o   95.186   9.8994  3810.59  753.905  920.935  1404.48  4980.22  893.549   53.965   21.442  108.823   10.233 -54.85777 23.75881 
1 1 1  -85    7    9 o  165.713   11.921 11670.36  1593.28  9043.63  2558.65 13333.98  2036.25  137.044   23.861  175.410   14.425 -38.36536 27.88199 
1 1 1  -85    7   10 o   36.688   11.791  563.848  398.505 -911.8249  981.352  855.234  436.078   31.436   14.818   44.094   11.903 -12.65765 19.00621 
1 1 1  -85    7   11 o   52.159   12.695  1216.99  532.579  539.411  1139.06  1406.57  602.492   45.806   18.901   55.892   13.441 -10.08629 23.19288 
1 1 1  -85    7   12 f  146.107   12.587  9345.09  1478.65  6619.98  2330.65 11180.92  1912.94  109.823   26.451  157.413   15.154 -47.58962 30.48451 
1 1 1  -85    7   13 f   55.463   16.522  1476.27  799.692  663.384  1196.97  2131.62  1074.74   46.407   19.281   65.055   19.096 -18.64754 27.13669 
1 1 1  -85    7   14 o   24.918   11.962 -835.4468  701.282  909.950  1077.63 -2117.6040  923.617   47.007   18.749   23.702   11.826 23.30494 22.16716 
1 1 1  -85    7   15 o   32.459   14.676 -125.5692  826.745 -2202.0730  1340.56  1148.96  1050.25   30.017   14.852   48.398   18.745 -18.38135 23.91562 
1 1 1  -85    7   16 o   41.291   16.580  768.920  848.660  321.351  1353.09  1059.16  1089.62   41.042   18.643   45.738   18.634 -4.695736 26.35901 
1 1 1  -85    7   17 o   54.864   19.571  2017.50  1100.54  1405.29  2023.68  2274.60  1311.43   46.878   21.830   55.669   21.100 -8.790730 30.36015 
1 1 1  -85    9    1 o  262.046   38.390 35152.48  7926.10   0.0000   0.0000 35152.48  7926.10  ?   ?   262.046   38.390 0.000000 38.38995 
1 1 1  -85    9    2 f  178.630   41.224 17259.03  5857.81   0.0000   0.0000 17259.03  5857.81  ?   ?   178.630   41.224 0.000000 41.22438 
1 1 1  -85    9    3 o   80.620   34.671  1538.47  4095.72   0.0000   0.0000  1538.47  4095.72  ?   ?    80.620   34.671 0.000000 34.67149 
1 1 1  -85    9    4 o  192.140   51.826 23876.17  8271.30   0.0000   0.0000 23876.17  8271.30  ?   ?   192.140   51.826 0.000000 51.82646 
1 1 1  -85    9    5 o  113.248   45.338  7697.53  6325.70   0.0000   0.0000  7697.53  6325.70  ?   ?   113.248   45.338 0.000000 45.33825 
1 1 1  -85    9    6 f   52.365   16.517  1183.20  784.832  1191.46  792.067  737.182  5820.15   52.545   16.595   83.598   38.240 -31.05275 41.68528 
1 1 1  -85    9    7 o  102.393   10.002  4402.87  820.964  918.438  1498.92  5896.06  981.226   55.024   22.055  118.510   10.300 -63.48574 24.34157 
1 1 1  -85    9    8 o  235.174   18.589 24755.20  3520.73   0.0000   0.0000 24755.20  3520.73  ?   ?   235.174   18.589 0.000000 18.58914 
1 1 1  -85    9    9 o  133.060   10.604  7486.98  1136.19  5854.80  2008.78  8254.77  1377.74  109.595   23.292  138.790   12.355 -29.19463 26.36555 
1 1 1  -85    9   10 o   18.961   8.8682 -316.8575  339.819 -1062.4790  913.830 -197.2062  366.070   29.019   13.856   21.352   9.6984 7.666468 16.91288 
1 1 1  -85    9   11 o   27.954   11.549  128.643  425.996 -1504.4030  1086.64  425.198  463.063   30.004   14.524   34.226   12.626 -4.222361 19.24479 
1 1 1  -85    9   12 o   85.892   12.163  3261.06  824.581  2119.67  1610.82  3666.36  959.882   64.341   23.578   90.343   13.499 -26.00260 27.16897 
1 1 1  -85    9   13 o   40.447   15.528  622.606  715.997  1008.90  1411.55  488.784  830.811   51.026   21.047   40.008   16.282 11.01893 26.60951 
1 1 1  -85    9   14 o   39.898   15.409  632.002  708.174 -1028.0800  1539.22  1077.77  797.607   37.790   18.027   47.427   16.689 -9.637196 24.56595 
1 1 1  -85    9   15 o   29.372   13.435 -222.4658  718.467 -119.7539  1394.77 -259.5629  838.231   39.667   18.351   31.285   14.384 8.381927 23.31675 
1 1 1  -85    9   16 o   59.836   19.672  2231.38  1105.95  4118.49  2017.15  1420.31  1322.43   68.571   26.125   48.851   20.279 19.71950 33.07199 
1 1 1  -85    9   17 o   39.077   16.130  771.398  829.977 -1856.0940  1941.17  1359.19  918.132   34.366   17.146   46.564   17.653 -12.19862 24.60964 
1 1 1  -85   11    1 o  196.081   40.219 20629.08  6188.44   0.0000   0.0000 20629.08  6188.44  ?   ?   196.081   40.219 0.000000 40.21873 
1 1 1  -85   11    2 o  149.967   43.441 13073.39  5594.95   0.0000   0.0000 13073.39  5594.95  ?   ?   149.967   43.441 0.000000 43.44111 
1 1 1  -85   11    3 o   79.568   35.175  1010.80  4472.97   0.0000   0.0000  1010.80  4472.97  ?   ?    79.568   35.175 0.000000 35.17480 
1 1 1  -85   11    4 o  134.688   48.224 12179.76  6687.61   0.0000   0.0000 12179.76  6687.61  ?   ?   134.688   48.224 0.000000 48.22363 
1 1 1  -85   11    5 o  127.087   49.493 11702.19  7352.90   0.0000   0.0000 11702.19  7352.90  ?   ?   127.087   49.493 0.000000 49.49347 
1 1 1  -85   11    6 o  114.168   49.156  9725.79  8251.01   0.0000   0.0000  9725.79  8251.01  ?   ?   114.168   49.156 0.000000 49.15563 
1 1 1  -85   11    7 f   20.515   9.9162 -775.2969  501.972 -737.0869  503.172 -8754.2490  7271.12   20.828   10.033   68.584   34.048 -47.75574 35.49490 
1 1 1  -85   11    8 o  165.216   12.882 11709.34  1714.48  4995.58  2981.66 15025.64  2095.57   94.450   32.318  186.425   13.945 -91.97547 35.19840 
1 1 1  -85   11    9 o   98.895   11.387  4196.17  897.695   0.0000   0.0000  4196.17  897.695  ?   ?    98.895   11.387 0.000000 11.38729 
1 1 1  -85   11   10 o   75.703   10.677  2472.45  638.050  2404.49  1485.47  2487.82  706.547   69.384   22.798   75.409   11.937 -6.025032 25.73378 
1 1 1  -85   11   11 o   30.117   11.936  245.187  434.205 -401.4984  1307.66  325.324  460.323   39.851   18.189   32.139   12.421 7.711933 22.02524 
1 1 1  -85   11   12 o  141.891   12.134  8875.71  1384.55  7957.23  2552.00  9258.84  1648.21  116.936   27.363  142.676   14.426 -25.74014 30.93286 
1 1 1  -85   11   13 o   98.848   13.014  4453.38  1019.09  4182.86  1983.51  4550.40  1187.87   81.388   26.320   97.850   15.465 -16.46237 30.52736 
1 1 1  -85   11   14 o   36.314   14.450  468.729  638.715 -961.6158  1624.48  730.283  694.663   38.510   18.412   40.918   15.391 -2.408485 23.99734 
1 1 1  -85   11   15 o   42.282   16.029  858.543  756.890  2129.46  1845.92  601.682  829.859   55.788   23.609   39.275   16.161 16.51318 28.61038 
1 1 1  -85   11   16 o   38.350   16.773  518.834  992.502 -387.0993  1993.90  817.237  1144.34   40.210   19.514   41.920   18.177 -1.709812 26.66792 
1 1 1  -85   13    1 o  186.282   43.675 20093.91  6491.39   0.0000   0.0000 20093.91  6491.39  ?   ?   186.282   43.675 0.000000 43.67533 
1 1 1  -85   13    2 o  292.905   50.702 53885.47 11621.80   0.0000   0.0000 53885.47 11621.80  ?   ?   292.905   50.702 0.000000 50.70189 
1 1 1  -85   13    3 o  153.891   49.732 16328.78  7082.39   0.0000   0.0000 16328.78  7082.39  ?   ?   153.891   49.732 0.000000 49.73187 
1 1 1  -85   13    4 o   96.769   41.925  4523.75  6078.22   0.0000   0.0000  4523.75  6078.22  ?   ?    96.769   41.925 0.000000 41.92542 
1 1 1  -85   13    5 o   97.733   43.677  4865.52  7089.07   0.0000   0.0000  4865.52  7089.07  ?   ?    97.733   43.677 0.000000 43.67702 
1 1 1  -85   13    6 o   92.618   42.562  3711.43  7325.02   0.0000   0.0000  3711.43  7325.02  ?   ?    92.618   42.562 0.000000 42.56150 
1 1 1  -85   13    7 o   82.920   39.743  147.499  7673.60   0.0000   0.0000  147.499  7673.60  ?   ?    82.920   39.743 0.000000 39.74287 
1 1 1  -85   13    8 o   31.104   10.862  371.206  337.581  318.704  1272.88  375.179  350.119   45.815   19.505   31.412   11.057 14.40300 22.42091 
1 1 1  -85   13    9 o  137.432   11.681  8123.12  1291.18  6090.40  2709.27  8720.48  1468.69  102.618   30.374  141.560   12.920 -38.94194 33.00793 
1 1 1  -85   13   10 o  102.598   11.280  4559.81  924.146  3085.99  2248.44  4859.40  1013.73   74.538   27.758  105.493   12.051 -30.95519 30.26106 
1 1 1  -85   13   11 o   92.185   11.701  3740.11  856.120  3398.54  2125.25  3806.28  935.371   75.769   27.179   92.314   12.825 -16.54540 30.05308 
1 1 1  -85   13   12 o   36.240   13.929  474.507  576.539  2252.01  1860.02  285.576  606.405   63.397   24.837   33.778   13.847 29.61935 28.43585 
1 1 1  -85   13   13 o   69.516   13.625  2282.01  741.555  2598.81  2230.56  2242.64  786.278   63.202   26.294   68.173   14.642 -4.970947 30.09608 
1 1 1  -85   13   14 o   37.440   15.242  504.886  728.276   42.770  1993.08  576.095  782.378   45.135   21.226   38.933   15.818 6.201759 26.47148 
1 1 1  -85   13   15 o   24.657   11.644 -452.2779  611.118 -462.2469  2078.36 -451.3344  639.383   41.483   20.082   25.292   11.933 16.19126 23.35992 
1 1 1  -85   15    1 o   81.762   35.387  2081.73  4321.08   0.0000   0.0000  2081.73  4321.08  ?   ?    81.762   35.387 0.000000 35.38662 
1 1 1  -85   15    2 o   66.031   31.103 -2021.9969  4311.11   0.0000   0.0000 -2021.9969  4311.11  ?   ?    66.031   31.103 0.000000 31.10339 
1 1 1  -85   15    3 o   84.544   38.347  1717.47  5697.17   0.0000   0.0000  1717.47  5697.17  ?   ?    84.544   38.347 0.000000 38.34653 
1 1 1  -85   15    4 o   90.469   40.857  3323.96  6386.90   0.0000   0.0000  3323.96  6386.90  ?   ?    90.469   40.857 0.000000 40.85712 
1 1 1  -85   15    5 o  115.519   50.117 12246.77  8708.85   0.0000   0.0000 12246.77  8708.85  ?   ?   115.519   50.117 0.000000 50.11655 
1 1 1  -85   15    6 o   96.034   44.759  6177.52  8537.30   0.0000   0.0000  6177.52  8537.30  ?   ?    96.034   44.759 0.000000 44.75944 
1 1 1  -85   15    7 o  106.686   49.453 13615.19 10202.10   0.0000   0.0000 13615.19 10202.10  ?   ?   106.686   49.453 0.000000 49.45300 
1 1 1  -85   15    8 o   32.373   15.574 -1481.6090  1203.50 -1505.1570  1211.68  245.432 10376.76   32.408   15.600   81.440   40.471 -49.03198 43.37382 
1 1 1  -85   15    9 o   73.831   11.071  2375.98  643.224  537.623  1951.00  2600.17  681.317   53.516   23.459   77.240   11.189 -23.72380 25.99097 
1 1 1  -85   15   10 o  133.849   12.647  7921.71  1358.23  2167.66  3259.77  9130.53  1494.10   67.488   29.922  143.467   12.966 -75.97855 32.61014 
1 1 1  -85   15   11 o   91.361   12.204  3737.42  882.705  163.147  2521.75  4236.51  942.320   53.153   24.620   97.350   12.189 -44.19689 27.47200 
1 1 1  -85   15   12 o   30.379   12.786  161.236  536.743  1083.77  2290.37  107.627  552.118   54.421   24.532   29.964   12.804 24.45671 27.67219 
1 1 1  -85   15   13 f   30.713   12.539  262.248  494.629 -1077.3950  2501.29  316.767  504.594   44.783   21.761   31.774   12.775 13.00897 25.23410 
1 1 1  -85   15   14 o   45.319   15.985  1072.47  732.153  891.378  2568.95  1088.48  763.831   49.044   23.366   45.536   16.298 3.508232 28.48877 
1 1 1  -85   15   15 o   41.230   15.633  900.648  720.068  1290.44  2787.70  872.783  745.363   47.097   22.906   40.834   15.798 6.262508 27.82554 
1 1 1  -85   17    1 o   36.539   18.587 -10296.5596  2992.77   0.0000   0.0000 -10296.5596  2992.77  ?   ?    36.539   18.587 0.000000 18.58743 
1 1 1  -85   17    2 o   47.135   23.635 -8692.5752  3902.50   0.0000   0.0000 -8692.5752  3902.50  ?   ?    47.135   23.635 0.000000 23.63456 
1 1 1  -85   17    3 o   62.243   30.594 -5906.7129  5378.56   0.0000   0.0000 -5906.7129  5378.56  ?   ?    62.243   30.594 0.000000 30.59422 
1 1 1  -85   17    4 o   74.716   35.975 -1787.3940  6453.65   0.0000   0.0000 -1787.3940  6453.65  ?   ?    74.716   35.975 0.000000 35.97475 
1 1 1  -85   17    5 o  107.929   49.212 12828.21  9541.61   0.0000   0.0000 12828.21  9541.61  ?   ?   107.929   49.212 0.000000 49.21179 
1 1 1  -85   17    6 o   83.020   41.057  433.513 10200.80   0.0000   0.0000  433.513 10200.80  ?   ?    83.020   41.057 0.000000 41.05708 
1 1 1  -85   17    7 o   70.722   35.206 -4289.7710  7991.28   0.0000   0.0000 -4289.7710  7991.28  ?   ?    70.722   35.206 0.000000 35.20573 
1 1 1  -85   17    8 o   81.964   40.833  5251.40 10835.02   0.0000   0.0000  5251.40 10835.02  ?   ?    81.964   40.833 0.000000 40.83328 
1 1 1  -85   17    9 o  ?   ?  -7151.8291  572.810 -7161.3062  573.469 -3039.3059 11945.89  ?   ?    71.685   36.529 0.000000 36.52946 
1 1 1  -85   17   10 o  149.681   14.195 10266.13  1704.52   0.0000   0.0000 10266.13  1704.52  ?   ?   149.681   14.195 0.000000 14.19455 
1 1 1  -85   17   11 o  112.304   11.366  5632.34  1022.19  6341.04  3214.17  5552.60  1078.17   84.557   32.781  110.766   12.190 -26.20897 34.97368 
1 1 1  -85   17   12 o   25.590   11.025   43.680  415.561 -224.9700  2491.28   51.369  421.466   47.677   22.796   25.856   11.121 21.82118 25.36431 
1 1 1  -85   17   13 o   37.009   14.235  590.858  602.404  2514.82  2594.02  481.185  619.336   56.274   25.659   35.449   14.188 20.82484 29.32064 
1 1 1  -85   17   14 o   33.508   17.032 -4873.8140  2477.28 -4873.8140  2477.28   0.0000   0.0000   33.508   17.032  ?   ?  0.000000 17.03247 
1 1 1  -85   19    1 o  113.515   46.257 11091.14  6716.36   0.0000   0.0000 11091.14  6716.36  ?   ?   113.515   46.257 0.000000 46.25724 
1 1 1  -85   19    2 f   96.490   42.900  6963.64  6746.27   0.0000   0.0000  6963.64  6746.27  ?   ?    96.490   42.900 0.000000 42.89950 
1 1 1  -85   19    3 o   79.873   38.213  1040.09  7022.37   0.0000   0.0000  1040.09  7022.37  ?   ?    79.873   38.213 0.000000 38.21263 
1 1 1  -85   19    4 o   68.379   33.797 -4568.8232  6877.65   0.0000   0.0000 -4568.8232  6877.65  ?   ?    68.379   33.797 0.000000 33.79683 
1 1 1  -85   19    5 o  120.603   56.052 32223.50 13239.01   0.0000   0.0000 32223.50 13239.01  ?   ?   120.603   56.052 0.000000 56.05220 
1 1 1  -85   19    6 o   87.994   43.073  9182.25 10323.09   0.0000   0.0000  9182.25 10323.09  ?   ?    87.994   43.073 0.000000 43.07260 
1 1 1  -85   19    7 o   84.448   41.944 10278.22 11087.75   0.0000   0.0000 10278.22 11087.75  ?   ?    84.448   41.944 0.000000 41.94368 
1 1 1  -85   19    8 o   91.157   45.845 33057.45 15247.25   0.0000   0.0000 33057.45 15247.25  ?   ?    91.157   45.845 0.000000 45.84526 
1 1 1  -85   19    9 o   73.783   37.904 14147.48 15774.12   0.0000   0.0000 14147.48 15774.12  ?   ?    73.783   37.904 0.000000 37.90389 
1 1 1  -85   19   10 o   68.353   35.333 17590.15 18278.32   0.0000   0.0000 17590.15 18278.32  ?   ?    68.353   35.333 0.000000 35.33281 
1 1 1  -85   19   11 f   31.114   12.255  326.905  455.072   0.0000   0.0000  326.905  455.072  ?   ?    31.114   12.255 0.000000 12.25504 
1 1 1  -85   19   12 o   26.902   11.324  138.851  421.077   0.0000   0.0000  138.851  421.077  ?   ?    26.902   11.324 0.000000 11.32409 
1 1 1  -85   21    1 o   99.790   44.483 10445.02  7302.91   0.0000   0.0000 10445.02  7302.91  ?   ?    99.790   44.483 0.000000 44.48275 
1 1 1  -85   21    2 o   86.655   40.800  6075.36  7402.99   0.0000   0.0000  6075.36  7402.99  ?   ?    86.655   40.800 0.000000 40.80004 
1 1 1  -85   21    3 o   77.903   37.217  2863.79  6611.22   0.0000   0.0000  2863.79  6611.22  ?   ?    77.903   37.217 0.000000 37.21701 
1 1 1  -85   21    4 o   64.923   32.650 -6445.6348  7729.12   0.0000   0.0000 -6445.6348  7729.12  ?   ?    64.923   32.650 0.000000 32.65010 
1 1 1  -85   21    5 o   80.540   40.046  7035.09 10215.80   0.0000   0.0000  7035.09 10215.80  ?   ?    80.540   40.046 0.000000 40.04606 
1 1 1  -85   21    6 o   77.495   39.060  7802.67 11404.56   0.0000   0.0000  7802.67 11404.56  ?   ?    77.495   39.060 0.000000 39.05968 
1 1 1  -85   21    7 o   59.202   30.374 -13062.5898  9683.08   0.0000   0.0000 -13062.5898  9683.08  ?   ?    59.202   30.374 0.000000 30.37424 
1 1 1  -85   21    8 o   66.936   34.370  3155.70 12695.27   0.0000   0.0000  3155.70 12695.27  ?   ?    66.936   34.370 0.000000 34.36952 
1 1 1  -85   21    9 o   65.680   33.933 13974.63 16357.18   0.0000   0.0000 13974.63 16357.18  ?   ?    65.680   33.933 0.000000 33.93282 
1 1 1  -85   21   10 o   62.070   32.266 32611.82 22052.24   0.0000   0.0000 32611.82 22052.24  ?   ?    62.070   32.266 0.000000 32.26580 
1 1 1  -85   23    1 o   78.806   38.101  5496.77  7421.35   0.0000   0.0000  5496.77  7421.35  ?   ?    78.806   38.101 0.000000 38.10052 
1 1 1  -85   23    2 o   47.368   24.206 -14516.5195  5567.86   0.0000   0.0000 -14516.5195  5567.86  ?   ?    47.368   24.206 0.000000 24.20576 
1 1 1  -85   23    3 o   80.005   39.562  9292.51  9462.42   0.0000   0.0000  9292.51  9462.42  ?   ?    80.005   39.562 0.000000 39.56182 
1 1 1  -85   23    4 o   57.925   29.608 -11703.7100  8378.05   0.0000   0.0000 -11703.7100  8378.05  ?   ?    57.925   29.608 0.000000 29.60763 
1 1 1  -85   23    5 o   72.213   36.740  8035.42 11722.12   0.0000   0.0000  8035.42 11722.12  ?   ?    72.213   36.740 0.000000 36.73993 
1 1 1  -85   23    6 o   69.122   35.444  8980.89 12997.43   0.0000   0.0000  8980.89 12997.43  ?   ?    69.122   35.444 0.000000 35.44426 
1 1 1  -85   23    7 o   61.825   31.746  289.177 10835.97   0.0000   0.0000  289.177 10835.97  ?   ?    61.825   31.746 0.000000 31.74591 
1 1 1  -85   23    8 o   53.503   27.715 -17259.6094 12033.44   0.0000   0.0000 -17259.6094 12033.44  ?   ?    53.503   27.715 0.000000 27.71538 
1 1 1  -84    0    1 o  146.335   33.125 10530.04  3432.49 10530.04  3432.49   0.0000   0.0000  146.335   33.125  146.335   33.125 0.000000 0.000000 
1 1 1  -84    0    2 o   97.328   9.4502  3980.77  730.650   0.0000   0.0000  3980.77  730.650   97.328   9.4502   97.328   9.4502 -0.000000 0.000000 
1 1 1  -84    0    3 o  173.489   13.953 12646.13  1936.23 12646.13  1936.23   0.0000   0.0000  173.489   13.953  173.489   13.953 0.000000 0.000000 
1 1 1  -84    0    4 o   12.077   8.4362 -298.0363  303.788 -298.0363  303.788   0.0000   0.0000   12.077   8.4362   12.077   8.4362 0.000000 0.000000 
1 1 1  -84    0    5 o  205.648   15.463 17799.10  2548.42   0.0000   0.0000 17799.10  2548.42  205.648   15.463  205.648   15.463 -0.000000 0.000000 
1 1 1  -84    0    6 o  264.446   17.626 29524.94  3746.19 29524.94  3746.19   0.0000   0.0000  264.446   17.626  264.446   17.626 0.000000 0.000000 
1 1 1  -84    0    7 o  154.586   14.997 10163.56  1841.69   0.0000   0.0000 10163.56  1841.69  154.586   14.997  154.586   14.997 -0.000000 0.000000 
1 1 1  -84    0    8 o   13.244   9.3564 -493.4585  407.222   0.0000   0.0000 -493.4585  407.222   13.244   9.3564   13.244   9.3564 -0.000000 0.000000 
1 1 1  -84    0    9 o   48.880   20.151  1399.09  792.467  1399.09  792.467   0.0000   0.0000   48.880   20.151   48.880   20.151 0.000000 0.000000 
1 1 1  -84    0   10 o   27.630   17.552  137.110  858.366  137.110  858.366   0.0000   0.0000   27.630   17.552   27.630   17.552 0.000000 0.000000 
1 1 1  -84    0   11 o   67.642   22.143  2454.49  1077.84  2454.49  1077.84   0.0000   0.0000   67.642   22.143   67.642   22.143 0.000000 0.000000 
1 1 1  -84    0   12 o   75.925   22.360  2990.07  1198.03  2990.07  1198.03   0.0000   0.0000   75.925   22.360   75.925   22.360 0.000000 0.000000 
1 1 1  -84    0   13 o  123.399   18.980  6888.54  1767.89   0.0000   0.0000  6888.54  1767.89  123.399   18.980  123.399   18.980 -0.000000 0.000000 
1 1 1  -84    0   14 f   24.969   16.972 -477.3029  1043.88 -477.3029  1043.88   0.0000   0.0000   24.969   16.972   24.969   16.972 0.000000 0.000000 
1 1 1  -84    0   15 o   50.217   26.151  1717.73  1389.61  1717.73  1389.61   0.0000   0.0000   50.217   26.151   50.217   26.151 0.000000 0.000000 
1 1 1  -84    0   16 f   35.494   22.387  473.644  1369.15  473.644  1369.15   0.0000   0.0000   35.494   22.387   35.494   22.387 0.000000 0.000000 
1 1 1  -84    0   17 f   38.020   23.677  729.119  1480.56   0.0000   0.0000  729.119  1480.56   38.020   23.677   38.020   23.677 -0.000000 0.000000 
1 1 1  -84    0   18 o   76.671   31.144  4076.64  1901.11   0.0000   0.0000  4076.64  1901.11   76.671   31.144   76.671   31.144 -0.000000 0.000000 
1 1 1  -84    2    1 o   14.111   6.5499 -158.5080  179.844 -184.4119  180.896  2049.17  1669.99   13.762   6.4472   70.256   24.181 -56.49368 25.02543 
1 1 1  -84    2    2 o   67.648   22.783  1921.05  1481.55  2007.89  1921.70  1793.79  2326.24   71.195   25.804   72.053   27.900 -0.8585129 38.00356 
1 1 1  -84    2    3 o   90.607   26.025  3781.65  2015.74  2730.55  2487.35  5792.69  3440.52   80.831   29.348  108.766   34.611 -27.93497 45.37884 
1 1 1  -84    2    4 o  137.993   8.9073  7859.72  992.701  7514.29  1421.49  8188.55  1386.93  133.580   13.282  139.829   12.342 -6.248672 18.13132 
1 1 1  -84    2    5 o   80.107   8.1259  2660.74  521.230  2662.53  842.746  2659.63  663.318   78.701   13.685   79.536   10.530 -0.8355560 17.26724 
1 1 1  -84    2    6 o   70.722   8.9182  2091.55  500.732  2001.23  833.349  2142.58  626.424   67.455   15.536   71.011   11.238 -3.556183 19.17445 
1 1 1  -84    2    7 o  102.992   9.2110  4413.82  762.149  5049.02  1189.06  3970.88  992.938  108.670   13.786   96.472   13.008 12.19844 18.95393 
1 1 1  -84    2    8 o   66.554   10.558  1885.20  551.484  1697.27  868.224  2012.30  714.025   61.659   16.858   67.963   13.415 -6.303150 21.54463 
1 1 1  -84    2    9 o  130.858   10.433  7185.34  1099.32  7522.10  1655.27  6919.58  1470.45  131.228   15.856  126.482   14.585 4.745567 21.54418 
1 1 1  -84    2   10 o  109.711   10.615  5087.39  933.774  3785.11  1409.81  6105.20  1246.35   90.182   19.796  119.104   13.104 -28.92210 23.74043 
1 1 1  -84    2   11 o  203.607   13.353 17888.68  2195.33 15915.32  3185.62 19673.46  3029.58  183.333   21.829  208.583   18.067 -25.24994 28.33581 
1 1 1  -84    2   12 o  237.935   15.131 25094.27  2908.01 23418.00  4194.85 26645.14  4034.90  216.219   24.316  235.818   21.303 -19.59920 32.32716 
1 1 1  -84    2   13 o   36.425   14.912  314.206  702.025  1214.78  1041.11 -436.7123  950.672   52.375   18.991   33.622   15.407 18.75317 24.45513 
1 1 1  -84    2   14 o   48.005   16.701  1047.50  797.637 -372.4136  1217.75  2114.47  1055.61   38.122   17.457   64.827   18.895 -26.70565 25.72545 
1 1 1  -84    2   15 o   56.097   18.136  1605.07  941.821  389.686  1500.02  2396.01  1210.07   45.787   20.299   66.420   20.439 -20.63370 28.80605 
1 1 1  -84    2   16 o   57.036   19.600  1826.57  1096.97  1820.61  1830.45  1829.92  1370.30   55.719   23.541   56.081   21.493 -0.3621101 31.87660 
1 1 1  -84    2   17 o   78.321   21.027  3821.63  1365.34  4430.46  2147.35  3408.46  1768.96   70.377   26.921   65.918   24.607 4.458893 36.47261 
1 1 1  -84    2   18 o   58.187   21.486  2621.93  1341.45 -108.6080  2156.89  4344.37  1713.08   40.532   19.808   70.575   24.479 -30.04322 31.48948 
1 1 1  -84    4    1 o  184.457   13.404 14234.32  1993.80 14234.32  1993.80   0.0000   0.0000  184.457   13.404  ?   ?  0.000000 13.40377 
1 1 1  -84    4    2 o   17.241   7.9733 -216.5383  262.961 -207.5013  264.064 -1291.2390  2879.66   17.412   8.0305   58.739   26.879 -41.32659 28.05321 
1 1 1  -84    4    3 o   31.479   12.013  290.118  426.941  339.626  430.641 -2554.1899  3264.14   32.557   12.143   57.788   27.173 -25.23119 29.76253 
1 1 1  -84    4    4 f  191.488   14.288 15459.77  2205.58 14170.94  2360.03 24350.21  6198.45  182.380   16.102  221.800   35.624 -39.41980 39.09386 
1 1 1  -84    4    5 o   89.939   10.162  3383.56  729.117  1399.59  3003.94  3507.76  751.592   73.278   30.503   91.562   10.288 -18.28461 32.19083 
1 1 1  -84    4    6 o  188.962   10.432 14839.12  1594.33 14429.55  2368.30 15178.58  2156.07  183.470   16.059  189.321   14.127 -5.850876 21.38900 
1 1 1  -84    4    7 o  115.852   9.1882  5578.01  857.223  5812.13  1407.51  5439.96  1080.80  115.984   15.321  113.520   11.903 2.463951 19.40083 
1 1 1  -84    4    8 o   64.946   10.555  1798.06  537.522  1666.38  976.802  1855.26  643.759   61.105   18.273   65.410   12.578 -4.305355 22.18340 
1 1 1  -84    4    9 o  136.781   10.421  7851.63  1148.67  8211.15  1837.20  7620.90  1471.82  136.392   16.955  133.129   13.817 3.262985 21.87208 
1 1 1  -84    4   10 o  139.019   11.197  8183.71  1253.21  6888.35  1964.75  9072.21  1627.20  121.735   20.613  144.773   14.018 -23.03720 24.92768 
1 1 1  -84    4   11 o   67.463   12.326  1994.79  650.332  2287.14  1189.95  1870.28  776.567   69.307   20.022   64.247   15.135 5.060555 25.09875 
1 1 1  -84    4   12 o   69.601   13.843  2176.12  754.784  3795.88  1318.08  1385.82  920.685   89.438   18.750   54.989   17.942 34.44913 25.95134 
1 1 1  -84    4   13 o   44.778   15.396  869.793  676.958  690.656  1242.29  945.455  807.360   47.784   19.730   46.929   16.760 0.8555717 25.88814 
1 1 1  -84    4   14 o   67.300   15.715  2161.53  843.179  4254.35  1494.07  1183.48  1021.37   90.706   20.738   50.877   18.755 39.82887 27.96071 
1 1 1  -84    4   15 o   25.953   12.193 -522.1525  654.734  375.584  1249.10 -862.2448  768.812   43.066   18.827   26.206   12.565 16.86031 22.63521 
1 1 1  -84    4   16 o   45.451   17.910  971.365  972.391 -624.1431  1838.51  1591.03  1145.77   41.417   19.742   53.414   19.830 -11.99672 27.98179 
1 1 1  -84    4   17 o   35.657   15.639  290.037  868.224 -713.5256  1923.17  546.931  973.023   39.681   19.236   39.181   16.875 0.4999352 25.58858 
1 1 1  -84    4   18 o   57.632   21.370  2609.28  1329.88  3766.05  2322.99  2045.34  1621.97   55.846   24.977   49.651   21.584 6.194733 33.01106 
1 1 1  -84    6    1 o   48.630   22.194 -971.9328  1946.38   0.0000   0.0000 -971.9328  1946.38  ?   ?    48.630   22.194 0.000000 22.19395 
1 1 1  -84    6    2 o  113.524   13.853  5458.46  1250.45  5560.28  1337.14  4748.72  3530.13  114.283   14.754  100.108   35.117 14.17490 38.09020 
1 1 1  -84    6    3 o  138.093   12.677  8003.61  1405.58  7174.09  1482.13 15416.89  4430.78  130.115   14.263  179.487   31.554 -49.37250 34.62794 
1 1 1  -84    6    4 o   53.404   15.124  1236.45  685.581  1205.58  693.289  2601.55  4610.45   52.818   15.290   89.360   37.536 -36.54168 40.53008 
1 1 1  -84    6    5 o   77.994   15.785  2664.76  965.356  2696.02  986.582  1961.76  4678.99   78.381   16.042   85.924   37.006 -7.543648 40.33335 
1 1 1  -84    6    6 o   71.958   8.8323  2165.18  505.220  1009.92  1002.36  2558.62  584.958   51.548   18.643   78.170   9.4048 -26.62180 20.88116 
1 1 1  -84    6    7 o  106.499   9.2814  4724.66  794.580  4410.18  1446.90  4860.44  950.778   99.226   18.643  107.472   11.053 -8.246643 21.67342 
1 1 1  -84    6    8 o   27.309   9.6141  274.278  264.739 -1149.1890  926.829  400.737  276.248   29.163   13.933   31.182   9.7939 -2.019264 17.03075 
1 1 1  -84    6    9 o  102.614   10.366  4440.23  851.836  1831.73  1501.46  5678.36  1034.43   64.543   22.877  115.848   11.134 -51.30511 25.44279 
1 1 1  -84    6   10 o   95.662   10.358  3878.45  791.719  2491.89  1447.49  4470.34  945.723   72.066   22.384  102.256   11.595 -30.18987 25.20874 
1 1 1  -84    6   11 o   30.993   11.985  285.979  428.823 -692.7651  1060.08  477.470  468.899   34.335   15.925   35.552   12.765 -1.216969 20.40920 
1 1 1  -84    6   12 o  126.701   12.321  6980.43  1251.47  5338.90  1999.59  8037.50  1604.60  101.075   24.598  133.967   15.009 -32.89220 28.81519 
1 1 1  -84    6   13 o  111.098   12.502  5447.56  1108.16  3705.21  1778.35  6553.59  1416.88   81.956   24.689  120.084   14.848 -38.12756 28.80968 
1 1 1  -84    6   14 o   31.661   14.208 -158.2392  758.456 -113.6941  1166.49 -190.8633  998.280   38.926   17.531   35.755   16.150 3.171024 23.83592 
1 1 1  -84    6   15 o   45.911   17.070  974.664  849.692  322.369  1504.47  1280.18  1029.63   44.795   20.063   50.741   18.806 -5.945812 27.49864 
1 1 1  -84    6   16 f   51.880   17.679  1455.50  892.169  1770.08  1386.21  1233.05  1165.68   54.449   21.407   48.714   19.477 5.735050 28.94153 
1 1 1  -84    6   17 o   74.509   17.810  3167.68  1062.86  880.936  1863.10  4270.96  1294.10   45.540   21.118   85.008   19.202 -39.46854 28.54252 
1 1 1  -84    6   18 o   51.318   19.568  1934.43  1132.16  861.299  1867.19  2558.36  1423.74   42.028   19.995   54.760   21.642 -12.73157 29.46485 
1 1 1  -84    8    1 o  305.838   38.497 47057.93  9348.25   0.0000   0.0000 47057.93  9348.25  ?   ?   305.838   38.497 0.000000 38.49743 
1 1 1  -84    8    2 o  206.810   40.459 22286.57  6550.73   0.0000   0.0000 22286.57  6550.73  ?   ?   206.810   40.459 0.000000 40.45945 
1 1 1  -84    8    3 o   51.589   25.138 -5020.3389  3402.02   0.0000   0.0000 -5020.3389  3402.02  ?   ?    51.589   25.138 0.000000 25.13787 
1 1 1  -84    8    4 o  127.958   46.141  9712.83  6133.14   0.0000   0.0000  9712.83  6133.14  ?   ?   127.958   46.141 0.000000 46.14096 
1 1 1  -84    8    5 o  161.873   14.271 11134.08  1856.53  9420.94  1930.19 32304.11  6785.22  147.772   16.361  254.636   33.641 -106.8646 37.40886 
1 1 1  -84    8    6 o  101.487   8.9213  4282.73  727.690  2454.78  1268.18  5180.04  888.521   73.356   20.498  111.389   9.9281 -38.03265 22.77617 
1 1 1  -84    8    7 o  140.698   10.254  8272.82  1163.39  5956.67  1961.16  9530.46  1445.13  113.465   22.081  150.326   11.938 -36.86047 25.10176 
1 1 1  -84    8    8 o  124.563   10.140  6504.94  1016.66  4231.87  1742.34  7678.38  1251.87   94.241   22.977  134.786   11.550 -40.54474 25.71681 
1 1 1  -84    8    9 o   30.618   11.088  334.215  354.717   4.4029  848.242  404.114  390.501   36.265   15.687   32.889   11.666 3.376617 19.54935 
1 1 1  -84    8   10 o   85.929   10.411  3144.43  711.558  1906.57  1287.70  3688.55  853.740   63.985   21.236   92.664   11.601 -28.67873 24.19805 
1 1 1  -84    8   11 o   75.989   12.226  2527.85  728.778  1642.51  1337.68  2901.56  869.084   60.047   21.560   80.804   13.738 -20.75761 25.56508 
1 1 1  -84    8   12 o   44.689   14.915  871.909  634.873  1786.37  1099.42  414.418  777.632   60.815   19.588   39.044   15.802 21.77029 25.16761 
1 1 1  -84    8   13 o   30.863   13.075  114.260  567.131  777.787  1114.53 -117.5792  658.801   46.930   18.945   30.150   13.405 16.78006 23.20795 
1 1 1  -84    8   14 o   28.582   13.308 -485.4958  751.604 -1857.1100  1228.65  334.723  950.116   30.199   14.799   39.559   16.847 -9.360762 22.42367 
1 1 1  -84    8   15 o   83.997   16.992  3579.89  1119.07  2528.79  1850.92  4185.47  1404.93   62.532   24.688   87.339   20.212 -24.80728 31.90634 
1 1 1  -84    8   16 o   38.335   16.392  456.372  906.025 -1618.9130  1686.66  1298.08  1074.16   35.375   17.336   48.728   18.934 -13.35328 25.67127 
1 1 1  -84    8   17 o   37.913   16.336  550.005  912.666  3027.98  1593.45 -659.7872  1113.38   60.998   23.225   31.455   15.093 29.54215 27.69800 
1 1 1  -84   10    1 o   89.121   35.134  3231.43  3743.52   0.0000   0.0000  3231.43  3743.52  ?   ?    89.121   35.134 0.000000 35.13448 
1 1 1  -84   10    2 o  207.563   41.201 22985.09  6698.78   0.0000   0.0000 22985.09  6698.78  ?   ?   207.563   41.201 0.000000 41.20087 
1 1 1  -84   10    3 o  101.314   39.414  4995.27  4659.00   0.0000   0.0000  4995.27  4659.00  ?   ?   101.314   39.414 0.000000 39.41360 
1 1 1  -84   10    4 o   71.279   33.041 -1497.0400  4554.08   0.0000   0.0000 -1497.0400  4554.08  ?   ?    71.279   33.041 0.000000 33.04078 
1 1 1  -84   10    5 o  115.794   47.340  8286.94  7063.34   0.0000   0.0000  8286.94  7063.34  ?   ?   115.794   47.340 0.000000 47.33989 
1 1 1  -84   10    6 o   13.250   6.6081 -748.2302  287.005 -738.2675  287.391 -4443.6841  5534.99   13.329   6.6418   68.713   33.143 -55.38437 33.80186 
1 1 1  -84   10    7 o   97.953   18.486  4334.01  1416.34  4280.62  1441.45  5826.58  7621.91   97.088   18.965  102.092   45.481 -5.003609 49.27684 
1 1 1  -84   10    8 f   52.561   10.387  1192.53  427.584  1879.80  1074.23  1063.14  466.098   64.069   19.163   49.283   11.804 14.78622 22.50681 
1 1 1  -84   10    9 o  119.824   10.442  6068.60  1005.79  4232.21  1840.89  6850.07  1200.88   92.230   24.258  126.680   11.811 -34.44985 26.98022 
1 1 1  -84   10   10 o   64.357   11.202  1800.44  564.115  1551.58  1304.18  1857.71  625.674   59.093   21.281   64.988   12.308 -5.894848 24.58384 
1 1 1  -84   10   11 o  142.231   11.571  8712.67  1324.73  6942.79  2294.69  9597.39  1622.39  115.277   25.217  147.674   13.686 -32.39742 28.69171 
1 1 1  -84   10   12 o   47.532   13.736  1029.10  560.009 -116.7507  1343.65  1269.99  616.067   42.143   18.912   52.508   14.136 -10.36476 23.61101 
1 1 1  -84   10   13 o  144.898   12.829  9384.20  1493.79  8385.07  2537.04  9914.37  1848.10  120.185   26.693  145.521   15.900 -25.33678 31.06910 
1 1 1  -84   10   14 o   65.718   15.354  2104.68  804.539  564.321  1731.10  2529.06  908.633   48.527   21.643   71.723   16.008 -23.19544 26.91961 
1 1 1  -84   10   15 o   38.573   16.205  464.010  859.558  488.377  1480.33  451.616  1055.77   44.442   19.903   40.516   17.513 3.925537 26.51131 
1 1 1  -84   10   16 o   47.427   18.510  1259.29  1030.08  1115.95  1938.06  1315.73  1216.07   47.913   21.972   48.050   19.643 -0.1370506 29.47224 
1 1 1  -84   10   17 o   42.982   17.776  1068.52  1010.70  3387.30  1791.32 -14.4102  1224.17   59.642   24.038   35.563   16.696 24.07876 29.26772 
1 1 1  -84   12    1 o  209.103   42.855 24108.83  7031.56   0.0000   0.0000 24108.83  7031.56  ?   ?   209.103   42.855 0.000000 42.85451 
1 1 1  -84   12    2 o  159.137   46.230 15259.88  6328.21   0.0000   0.0000 15259.88  6328.21  ?   ?   159.137   46.230 0.000000 46.22982 
1 1 1  -84   12    3 o  156.098   49.572 15934.37  7060.46   0.0000   0.0000 15934.37  7060.46  ?   ?   156.098   49.572 0.000000 49.57226 
1 1 1  -84   12    4 o   79.161   36.939 -1159.6930  5842.27   0.0000   0.0000 -1159.6930  5842.27  ?   ?    79.161   36.939 0.000000 36.93906 
1 1 1  -84   12    5 o  112.885   46.612  8211.16  6933.85   0.0000   0.0000  8211.16  6933.85  ?   ?   112.885   46.612 0.000000 46.61190 
1 1 1  -84   12    6 o  121.648   51.131 11983.54  8563.90   0.0000   0.0000 11983.54  8563.90  ?   ?   121.648   51.131 0.000000 51.13086 
1 1 1  -84   12    7 o   48.374   17.921  876.841  934.745  984.828  942.063 -5992.2290  7513.50   49.982   18.074   73.754   36.234 -23.77236 40.49150 
1 1 1  -84   12    8 o  138.915   11.804  8219.90  1318.81  3816.57  2512.57  9894.35  1549.40   85.229   29.641  151.962   12.673 -66.73336 32.23673 
1 1 1  -84   12    9 o   50.539   11.652  1125.45  468.366   0.0000   0.0000  1125.45  468.366  ?   ?    50.539   11.652 0.000000 11.65205 
1 1 1  -84   12   10 o  110.144   11.304  5218.43  996.610  2577.15  2063.82  6021.65  1138.10   71.267   26.583  117.948   12.053 -46.68126 29.18813 
1 1 1  -84   12   11 o   59.804   13.253  1620.03  626.644  1217.79  1496.92  1705.50  690.016   55.196   22.070   60.995   14.198 -5.799656 26.24261 
1 1 1  -84   12   12 o   44.744   13.556  911.130  535.018  2124.42  1499.48  734.137  572.714   63.645   22.830   41.222   14.162 22.42364 26.86561 
1 1 1  -84   12   13 o   87.463   12.508  3465.60  863.006  1299.21  1967.80  3981.51  960.283   55.535   23.958   93.453   13.008 -37.91854 27.26133 
1 1 1  -84   12   14 f   61.667   16.700  1952.60  856.815  1358.81  1906.67  2102.85  959.112   53.451   23.317   63.063   17.899 -9.612755 29.39444 
1 1 1  -84   12   15 o   26.664   12.363 -316.3505  638.177  1250.86  1828.61 -533.7062  680.995   49.887   22.247   25.870   12.240 24.01675 25.39150 
1 1 1  -84   12   16 o   43.646   17.156  1036.79  890.091  2069.39  2154.36  824.239  977.414   51.142   23.344   41.357   17.323 9.784515 29.06916 
1 1 1  -84   14    1 o  144.930   43.785 12611.29  5587.37   0.0000   0.0000 12611.29  5587.37  ?   ?   144.930   43.785 0.000000 43.78490 
1 1 1  -84   14    2 o   85.417   36.627  2427.21  4547.11   0.0000   0.0000  2427.21  4547.11  ?   ?    85.417   36.627 0.000000 36.62749 
1 1 1  -84   14    3 o  111.810   44.326  7672.10  5989.56   0.0000   0.0000  7672.10  5989.56  ?   ?   111.810   44.326 0.000000 44.32626 
1 1 1  -84   14    4 o   81.422   37.564  274.740  5784.94   0.0000   0.0000  274.740  5784.94  ?   ?    81.422   37.564 0.000000 37.56442 
1 1 1  -84   14    5 o   77.268   36.790 -1884.7050  6348.05   0.0000   0.0000 -1884.7050  6348.05  ?   ?    77.268   36.790 0.000000 36.79018 
1 1 1  -84   14    6 o   91.062   42.115  3129.92  7337.03   0.0000   0.0000  3129.92  7337.03  ?   ?    91.062   42.115 0.000000 42.11456 
1 1 1  -84   14    7 o   68.324   33.789 -6778.0630  6907.87   0.0000   0.0000 -6778.0630  6907.87  ?   ?    68.324   33.789 0.000000 33.78867 
1 1 1  -84   14    8 o  ?   ?  -3636.1870  372.109 -3637.3291  372.407 -2921.6760  9316.98  ?   ?    79.416   39.268 0.000000 39.26789 
1 1 1  -84   14    9 o  102.861   10.160  4505.72  837.444  4795.91  2206.97  4456.90  905.138   93.698   27.324  101.833   11.128 -8.134430 29.50357 
1 1 1  -84   14   10 o   85.129   10.807  3136.08  730.170 -512.7693  2116.43  3629.06  777.933   49.147   22.691   91.737   10.642 -42.58969 25.06211 
1 1 1  -84   14   11 o   82.005   11.318  2954.25  733.507  693.140  2189.18  3240.20  778.507   55.066   24.462   85.861   11.452 -30.79456 27.01035 
1 1 1  -84   14   12 o   34.860   12.730  478.582  468.952 -3659.9609  2015.19  715.529  482.190   35.436   17.647   40.021   12.981 -4.585045 21.90673 
1 1 1  -84   14   13 o   64.728   13.589  1984.29  691.450   32.513  2409.05  2159.52  721.821   49.677   23.354   67.574   13.626 -17.89765 27.03811 
1 1 1  -84   14   14 o   71.525   14.275  2509.86  800.010  365.694  2431.68  2770.11  847.170   48.730   23.076   75.108   14.416 -26.37799 27.20904 
1 1 1  -84   14   15 o   30.701   13.936 -66.7424  754.302 -4573.3989  2343.39  454.161  796.703   33.676   17.059   36.571   15.495 -2.895725 23.04578 
1 1 1  -84   16    1 o   85.531   36.798  2690.78  4616.88   0.0000   0.0000  2690.78  4616.88  ?   ?    85.531   36.798 0.000000 36.79809 
1 1 1  -84   16    2 o   69.544   32.465 -1299.7390  4519.81   0.0000   0.0000 -1299.7390  4519.81  ?   ?    69.544   32.465 0.000000 32.46469 
1 1 1  -84   16    3 o   91.132   40.536  3452.11  6029.79   0.0000   0.0000  3452.11  6029.79  ?   ?    91.132   40.536 0.000000 40.53556 
1 1 1  -84   16    4 o  102.061   44.784  6738.17  7126.09   0.0000   0.0000  6738.17  7126.09  ?   ?   102.061   44.784 0.000000 44.78411 
1 1 1  -84   16    5 o  118.910   52.670 14995.32 10077.54   0.0000   0.0000 14995.32 10077.54  ?   ?   118.910   52.670 0.000000 52.67015 
1 1 1  -84   16    6 f   66.053   32.863 -8052.2168  6924.21   0.0000   0.0000 -8052.2168  6924.21  ?   ?    66.053   32.863 0.000000 32.86345 
1 1 1  -84   16    7 o  110.926   51.070 16357.26 10613.70   0.0000   0.0000 16357.26 10613.70  ?   ?   110.926   51.070 0.000000 51.07008 
1 1 1  -84   16    8 o   93.062   45.660 10151.32 11809.44   0.0000   0.0000 10151.32 11809.44  ?   ?    93.062   45.660 0.000000 45.65966 
1 1 1  -84   16    9 o   82.574   10.262  2936.84  673.183  2892.90  2670.53  2939.82  695.648   72.756   29.341   82.443   10.640 -9.686699 31.21100 
1 1 1  -84   16   10 o  106.506   11.502  4965.53  978.897   0.0000   0.0000  4965.53  978.897  ?   ?   106.506   11.502 0.000000 11.50210 
1 1 1  -84   16   11 o  113.600   12.072  5748.66  1096.47  3084.97  2942.61  6178.13  1181.56   69.088   29.541  117.351   12.597 -48.26272 32.11480 
1 1 1  -84   16   12 o   63.571   14.037  1927.19  705.214 -1664.8740  2502.02  2237.19  735.015   44.640   21.708   68.920   13.617 -24.27937 25.62604 
1 1 1  -84   16   13 o   43.646   14.093  922.649  568.813  4282.16  2801.09  778.155  580.917   68.675   29.074   40.793   14.249 27.88226 32.37753 
1 1 1  -84   16   14 o  102.331   14.524  5241.26  1172.90  938.583  3367.31  5835.37  1251.26   50.480   24.686  107.805   14.676 -57.32502 28.71934 
1 1 1  -84   16   15 o   48.964   23.939  2042.58  3160.72  2042.58  3160.72   0.0000   0.0000   48.964   23.939  ?   ?  0.000000 23.93902 
1 1 1  -84   18    1 o  126.853   47.123 12252.08  6472.08   0.0000   0.0000 12252.08  6472.08  ?   ?   126.853   47.123 0.000000 47.12315 
1 1 1  -84   18    2 o   68.942   32.774 -1911.3900  4997.52   0.0000   0.0000 -1911.3900  4997.52  ?   ?    68.942   32.774 0.000000 32.77360 
1 1 1  -84   18    3 o  ?   ?  -19562.1602  3919.30   0.0000   0.0000 -19562.1602  3919.30  ?   ?   ?   ?  0.000000      ? 
1 1 1  -84   18    4 o   94.650   43.415  5882.55  7573.68   0.0000   0.0000  5882.55  7573.68  ?   ?    94.650   43.415 0.000000 43.41503 
1 1 1  -84   18    5 o  113.732   51.435 16432.39 10162.79   0.0000   0.0000 16432.39 10162.79  ?   ?   113.732   51.435 0.000000 51.43457 
1 1 1  -84   18    6 o   78.001   38.225 -592.3057  8199.58   0.0000   0.0000 -592.3057  8199.58  ?   ?    78.001   38.225 0.000000 38.22500 
1 1 1  -84   18    7 o   95.998   46.774 14378.48 11772.78   0.0000   0.0000 14378.48 11772.78  ?   ?    95.998   46.774 0.000000 46.77424 
1 1 1  -84   18    8 o   97.595   48.012 23491.67 13339.09   0.0000   0.0000 23491.67 13339.09  ?   ?    97.595   48.012 0.000000 48.01188 
1 1 1  -84   18    9 o   65.464   26.601  2279.69  2213.27  2586.57  2246.43 -7883.9341 12927.99   67.886   27.072   69.237   35.493 -1.351624 44.63919 
1 1 1  -84   18   10 o   59.819   12.371  1636.21  581.047   0.0000   0.0000  1636.21  581.047  ?   ?    59.819   12.371 0.000000 12.37113 
1 1 1  -84   18   11 o   25.259   10.984  -0.2580  420.296 -2815.0481  2852.47   62.209  424.934   44.108   21.794   26.311   11.237 17.79722 24.52065 
1 1 1  -84   18   12 o  115.553   12.449  6190.74  1149.61  4311.56  3924.00  6367.17  1202.37   64.545   30.171  116.670   12.909 -52.12573 32.81607 
1 1 1  -84   18   13 o   74.071   13.007  2659.53  753.761  742.901  3363.70  2760.86  773.430   50.360   24.638   75.401   13.109 -25.04081 27.90786 
1 1 1  -84   20    1 o  114.293   47.082 12000.77  7053.10   0.0000   0.0000 12000.77  7053.10  ?   ?   114.293   47.082 0.000000 47.08236 
1 1 1  -84   20    2 o   97.778   43.608  7806.37  7028.00   0.0000   0.0000  7806.37  7028.00  ?   ?    97.778   43.608 0.000000 43.60796 
1 1 1  -84   20    3 o  118.789   51.792 18198.67  9396.37   0.0000   0.0000 18198.67  9396.37  ?   ?   118.789   51.792 0.000000 51.79205 
1 1 1  -84   20    4 o   83.375   40.173  3276.34  8081.95   0.0000   0.0000  3276.34  8081.95  ?   ?    83.375   40.173 0.000000 40.17278 
1 1 1  -84   20    5 o   75.815   37.442 -493.2595  8382.57   0.0000   0.0000 -493.2595  8382.57  ?   ?    75.815   37.442 0.000000 37.44204 
1 1 1  -84   20    6 o   54.793   27.713 -10483.4805  6035.77   0.0000   0.0000 -10483.4805  6035.77  ?   ?    54.793   27.713 0.000000 27.71288 
1 1 1  -84   20    7 o   63.869   32.437 -8794.6895  8848.77   0.0000   0.0000 -8794.6895  8848.77  ?   ?    63.869   32.437 0.000000 32.43699 
1 1 1  -84   20    8 f   70.810   36.021  616.402 11241.85   0.0000   0.0000  616.402 11241.85  ?   ?    70.810   36.021 0.000000 36.02127 
1 1 1  -84   20    9 o   75.334   38.736 24611.91 17325.30   0.0000   0.0000 24611.91 17325.30  ?   ?    75.334   38.736 0.000000 38.73600 
1 1 1  -84   20   10 o   68.700   35.585 27551.17 19748.79   0.0000   0.0000 27551.17 19748.79  ?   ?    68.700   35.585 0.000000 35.58516 
1 1 1  -84   20   11 o   73.338   11.326  2469.58  652.689   0.0000   0.0000  2469.58  652.689  ?   ?    73.338   11.326 0.000000 11.32555 
1 1 1  -84   22    1 o   50.922   25.637 -9038.5537  4835.48   0.0000   0.0000 -9038.5537  4835.48  ?   ?    50.922   25.637 0.000000 25.63680 
1 1 1  -84   22    2 o   67.815   33.369 -2330.0710  6454.90   0.0000   0.0000 -2330.0710  6454.90  ?   ?    67.815   33.369 0.000000 33.36902 
1 1 1  -84   22    3 o   84.082   40.819  6718.45  8745.69   0.0000   0.0000  6718.45  8745.69  ?   ?    84.082   40.819 0.000000 40.81915 
1 1 1  -84   22    4 o   63.331   31.989 -7635.3120  7886.17   0.0000   0.0000 -7635.3120  7886.17  ?   ?    63.331   31.989 0.000000 31.98941 
1 1 1  -84   22    5 o   65.069   32.983 -6470.7280  8854.16   0.0000   0.0000 -6470.7280  8854.16  ?   ?    65.069   32.983 0.000000 32.98306 
1 1 1  -84   22    6 o   79.245   40.030 13050.73 12360.09   0.0000   0.0000 13050.73 12360.09  ?   ?    79.245   40.030 0.000000 40.03014 
1 1 1  -84   22    7 o   52.449   27.020 -22688.1895  9052.39   0.0000   0.0000 -22688.1895  9052.39  ?   ?    52.449   27.020 0.000000 27.01986 
1 1 1  -84   22    8 o   75.477   38.813 37413.25 17447.52   0.0000   0.0000 37413.25 17447.52  ?   ?    75.477   38.813 0.000000 38.81264 
1 1 1  -84   22    9 o   65.811   34.028 21795.34 17090.85   0.0000   0.0000 21795.34 17090.85  ?   ?    65.811   34.028 0.000000 34.02809 
1 1 1  -84   22   10 o   58.477   30.404 11613.79 20057.83   0.0000   0.0000 11613.79 20057.83  ?   ?    58.477   30.404 0.000000 30.40429 
1 1 1  -84   24    1 o   54.804   27.670 -7934.6641  5863.56   0.0000   0.0000 -7934.6641  5863.56  ?   ?    54.804   27.670 0.000000 27.67044 
1 1 1  -84   24    2 o   82.215   40.354 10994.57  9253.77   0.0000   0.0000 10994.57  9253.77  ?   ?    82.215   40.354 0.000000 40.35413 
1 1 1  -84   24    3 o   82.229   40.815 14363.24 10430.89   0.0000   0.0000 14363.24 10430.89  ?   ?    82.229   40.815 0.000000 40.81457 
1 1 1  -84   24    4 o   75.725   38.307 11820.08 11564.20   0.0000   0.0000 11820.08 11564.20  ?   ?    75.725   38.307 0.000000 38.30717 
1 1 1  -84   24    5 o   79.523   40.540 30360.02 14833.47   0.0000   0.0000 30360.02 14833.47  ?   ?    79.523   40.540 0.000000 40.53974 
1 1 1  -84   24    6 o   58.944   30.348 -9350.1709 11171.63   0.0000   0.0000 -9350.1709 11171.63  ?   ?    58.944   30.348 0.000000 30.34830 
1 1 1  -84   24    7 o   61.105   31.554  1108.24 13761.55   0.0000   0.0000  1108.24 13761.55  ?   ?    61.105   31.554 0.000000 31.55387 
1 1 1  -83    1    1 o  279.760   20.848 33717.24  4701.71 30017.25  6542.98 37667.70  6760.82  253.882   32.485  287.965   29.324 -34.08337 43.76254 
1 1 1  -83    1    2 o  194.506   13.221 15786.80  2075.64 16404.82  2297.46 13041.90  4841.80  197.799   14.404  162.135   37.522 35.66388 40.19124 
1 1 1  -83    1    3 o  176.647   9.9982 12885.74  1428.17 13071.11  2027.98 12703.36  2011.60  176.391   14.282  173.837   14.381 2.554276 20.26777 
1 1 1  -83    1    4 o  133.266   8.1564  7308.25  878.341  7423.62  1271.89  7203.07  1214.42  133.334   11.872  131.438   11.495 1.896133 16.52520 
1 1 1  -83    1    5 o  125.238   8.4835  6469.58  857.592  6350.80  1239.24  6578.75  1188.02  122.926   12.593  125.386   11.808 -2.459396 17.26349 
1 1 1  -83    1    6 o  103.075   8.3851  4393.87  695.692  4847.61  1006.68  3979.07  962.518  107.401   11.735   96.951   12.519 10.44936 17.15921 
1 1 1  -83    1    7 o  124.767   9.4232  6461.81  947.594  6659.18  1382.47  6286.91  1301.41  125.122   13.839  121.714   13.390 3.408669 19.25656 
1 1 1  -83    1    8 o   97.085   9.9594  3945.36  773.980  4659.51  1143.85  3342.25  1051.16  104.225   13.860   87.462   15.362 16.76335 20.69052 
1 1 1  -83    1    9 o   40.076   12.959  664.498  480.820  1340.79  758.411  209.988  621.740   55.109   16.003   34.250   14.029 20.85966 21.28118 
1 1 1  -83    1   10 f   39.769   13.882  618.405  551.367  749.438  901.513  540.101  696.904   46.261   17.504   40.433   15.368 5.827816 23.29253 
1 1 1  -83    1   11 o   53.649   14.765  1288.67  663.471  379.828  947.231  2163.99  929.596   41.979   17.269   68.789   16.790 -26.80986 24.08605 
1 1 1  -83    1   12 o   76.958   13.751  2630.54  827.733  2527.57  1186.56  2728.14  1155.25   72.641   19.645   75.876   18.838 -3.235611 27.21748 
1 1 1  -83    1   13 o   32.593   14.211 -18.6079  707.590 -59.5790  1166.72   5.2297  889.938   40.443   17.917   36.416   15.906 4.027596 23.95928 
1 1 1  -83    1   14 o   56.848   16.316  1539.37  792.540  1724.65  1294.73  1428.34  1002.25   59.200   21.216   54.778   18.737 4.422729 28.30566 
1 1 1  -83    1   15 o   59.524   18.073  1792.08  950.250  1315.16  1414.58  2184.28  1282.78   53.528   21.436   63.647   21.199 -10.11873 30.14795 
1 1 1  -83    1   16 o   56.733   18.956  1734.58  1025.53  630.916  1461.94  2803.82  1438.97   46.162   20.269   68.252   22.439 -22.09052 30.23811 
1 1 1  -83    1   17 o   47.563   17.978  1209.84  950.498 -192.8776  1465.42  2228.55  1248.83   39.156   18.346   59.584   20.887 -20.42867 27.80003 
1 1 1  -83    1   18 o   42.020   17.204  930.848  934.643 -46.5143  1308.62  1948.54  1335.35   36.672   17.231   52.126   20.844 -15.45425 27.04423 
1 1 1  -83    3    1 o  116.979   9.5276  5657.99  897.101  5696.68  941.338  5275.14  2961.21  117.279   9.9801  105.678   31.864 11.60128 33.39032 
1 1 1  -83    3    2 o  137.614   10.988  7862.43  1217.52  7247.20  1290.32 12857.46  3676.60  131.744   12.201  167.639   27.998 -35.89479 30.54088 
1 1 1  -83    3    3 o  317.983   22.500 44196.91  5771.87 44196.91  5771.87   0.0000   0.0000  317.983   22.500  ?   ?  0.000000 22.50023 
1 1 1  -83    3    4 o  267.703   17.910 30628.23  3870.60 26856.23  7389.86 32054.23  4543.71  227.879   41.466  271.589   20.762 -43.71042 46.37350 
1 1 1  -83    3    5 o  368.468   16.490 57566.50  4933.55 55506.18  6981.68 59621.43  6972.52  352.203   24.567  366.420   23.560 -14.21722 34.03876 
1 1 1  -83    3    6 f  201.157   10.416 16785.79  1695.49 15924.11  2469.22 17554.50  2332.22  193.213   15.880  203.900   14.175 -10.68755 21.28606 
1 1 1  -83    3    7 o   55.665   10.359  1323.18  450.998  1773.69  802.575  1115.26  545.224   63.392   15.679   50.632   13.146 12.75970 20.46116 
1 1 1  -83    3    8 o  132.275   10.164  7301.75  1083.29  6108.88  1669.27  8169.65  1423.84  117.514   18.073  138.904   12.767 -21.38978 22.12807 
1 1 1  -83    3    9 o   86.726   10.473  3176.16  722.585  2260.86  1176.44  3730.66  915.665   70.215   19.786   93.420   12.376 -23.20461 23.33819 
1 1 1  -83    3   10 o  131.545   10.545  7282.14  1116.84  7574.80  1724.40  7070.68  1465.82  130.918   16.594  127.712   14.386 3.206116 21.96197 
1 1 1  -83    3   11 o  132.563   11.069  7456.28  1180.54  8056.69  1803.40  7006.07  1561.63  134.142   16.935  125.858   15.617 8.284035 23.03617 
1 1 1  -83    3   12 o   30.924   13.279   30.057  599.121 -194.8680  938.372  184.843  778.436   35.751   15.940   36.553   15.392 -0.8028603 22.15888 
1 1 1  -83    3   13 o  116.660   12.520  5954.62  1167.40  6525.44  1783.03  5526.34  1544.45  116.626   19.519  108.227   18.223 8.398453 26.70285 
1 1 1  -83    3   14 o   90.092   14.564  3720.49  1029.06  5446.47  1625.74  2566.67  1329.24  104.661   19.857   70.109   21.395 34.55162 29.19015 
1 1 1  -83    3   15 o   31.201   14.276 -314.9214  812.033 -233.6756  1512.03 -347.8520  962.634   42.191   19.370   33.735   15.475 8.456009 24.79251 
1 1 1  -83    3   16 o   61.415   19.410  2084.29  1083.45  3438.95  1855.68  1383.67  1334.53   71.141   25.410   51.921   20.811 19.22054 32.84435 
1 1 1  -83    3   17 o   35.268   16.062 -13.4199  1012.55 -1168.1160  1832.81  493.819  1214.76   38.121   18.548   41.253   18.279 -3.132442 26.04126 
1 1 1  -83    3   18 o   31.901   15.286 -580.9229  1133.57 -710.1308  1992.74 -519.1109  1378.30   38.536   18.876   34.770   16.712 3.766041 25.21124 
1 1 1  -83    5    1 o   97.124   10.722  3934.76  831.427  3972.60  867.058  3502.59  2930.41   97.491   11.154   89.675   31.942 7.815369 33.83305 
1 1 1  -83    5    2 o  197.818   12.970 16330.11  2071.70 15236.79  2257.39 22167.41  5216.01  190.307   14.723  218.724   30.173 -28.41713 33.57395 
1 1 1  -83    5    3 o  133.397   11.765  7426.34  1261.21  5998.98  1317.84 22972.68  4349.22  119.129   13.885  227.481   23.904 -108.3520 27.64396 
1 1 1  -83    5    4 o  112.901   13.367  5387.76  1201.57  5274.86  1240.37  7108.13  4841.88  111.483   14.012  116.834   41.118 -5.351860 43.43953 
1 1 1  -83    5    5 o   18.425   8.0714 -53.1257  230.619  682.714  542.471 -215.4540  254.790   41.333   13.786   16.883   7.8221 24.45043 15.85079 
1 1 1  -83    5    6 o   75.475   10.275  2398.04  613.298 -4470.7510  3773.37  2584.41  621.563   56.427   27.254   78.477   9.9803 -22.04947 29.02361 
1 1 1  -83    5    7 o   32.517   10.483  428.347  314.807 -1225.9830  712.719  829.335  350.891   23.713   11.544   43.903   10.059 -20.18977 15.31178 
1 1 1  -83    5    8 o  196.745   12.516 16324.26  1989.03 14238.79  3029.75 17903.89  2636.83  177.463   21.462  203.665   16.076 -26.20126 26.81535 
1 1 1  -83    5    9 o  141.240   10.277  8353.87  1170.50 10393.01  1926.14  7159.95  1473.85  154.738   15.540  128.850   14.330 25.88857 21.13899 
1 1 1  -83    5   10 o  114.298   10.845  5525.46  994.469  4018.56  1679.44  6339.13  1234.09   91.360   22.732  121.630   12.682 -30.26947 26.03013 
1 1 1  -83    5   11 f   39.067   13.197  623.964  497.112  849.831  1038.81  556.877  566.146   48.694   18.701   38.579   14.002 10.11451 23.36253 
1 1 1  -83    5   12 o   80.440   12.580  2839.04  794.755  2978.37  1378.32  2769.65  972.749   77.732   21.236   77.781   15.938 -0.4887390E-01 26.55162 
1 1 1  -83    5   13 o   51.855   17.061  1232.50  831.852  820.039  1369.68  1473.55  1047.08   50.455   20.762   56.102   19.152 -5.647076 28.24647 
1 1 1  -83    5   14 f   58.489   16.957  1658.64  852.135  1368.72  1496.45  1797.76  1036.62   55.505   22.108   60.052   18.987 -4.547821 29.14211 
1 1 1  -83    5   15 o   46.501   17.173  981.916  857.015 -746.3137  1524.81  1779.95  1036.16   39.320   18.514   58.531   19.031 -19.21103 26.55107 
1 1 1  -83    5   16 o   53.642   18.144  1535.75  939.640  1706.51  1521.02  1430.36  1194.93   54.855   22.136   51.849   20.019 3.006088 29.84560 
1 1 1  -83    5   17 o   38.495   16.294  530.084  879.542  1085.69  1851.88  368.247  999.463   47.890   21.776   38.035   16.729 9.855476 27.45959 
1 1 1  -83    5   18 o   36.091   16.297  315.509  1015.86  946.511  1652.50 -67.8101  1287.97   43.330   20.021   35.899   16.938 7.430901 26.22430 
1 1 1  -83    7    1 o  130.458   33.983  8341.97  3635.71   0.0000   0.0000  8341.97  3635.71  ?   ?   130.458   33.983 0.000000 33.98346 
1 1 1  -83    7    2 o   65.025   28.111  298.671  2720.53   0.0000   0.0000  298.671  2720.53  ?   ?    65.025   28.111 0.000000 28.11062 
1 1 1  -83    7    3 o  160.037   42.297 13776.76  5579.30   0.0000   0.0000 13776.76  5579.30  ?   ?   160.037   42.297 0.000000 42.29693 
1 1 1  -83    7    4 o   13.446   6.5823 -468.1178  241.202 -456.5794  241.558 -4370.8838  4442.58   13.566   6.6296   63.144   30.258 -49.57756 30.97550 
1 1 1  -83    7    5 o  123.838   14.104  6520.20  1392.88  5615.55  1435.14 21205.74  5782.31  114.112   15.923  204.778   36.095 -90.66600 39.45108 
1 1 1  -83    7    6 o  104.801   8.9326  4559.13  752.868  3075.90  1281.67  5340.56  930.284   82.570   19.439  113.116   10.240 -30.54675 21.97112 
1 1 1  -83    7    7 o  119.812   11.681  6048.01  1121.90   0.0000   0.0000  6048.01  1121.90  ?   ?   119.812   11.681 0.000000 11.68084 
1 1 1  -83    7    8 o  190.298   12.088 15262.59  1858.12 14108.22  2890.12 16075.95  2425.96  177.043   20.483  193.001   15.614 -15.95741 25.75579 
1 1 1  -83    7    9 o  133.804   10.153  7505.78  1094.83  7571.10  1842.45  7470.13  1361.22  130.259   17.893  132.255   12.838 -1.995697 22.02154 
1 1 1  -83    7   10 o   21.261   9.7159 -233.5294  374.570 -1374.4650  890.878   11.475  412.833   26.967   13.077   25.908   11.071 1.058998 17.13394 
1 1 1  -83    7   11 f   40.692   13.600  689.968  527.866  129.171  1079.54  866.185  605.144   41.263   17.773   44.851   14.541 -3.588295 22.96379 
1 1 1  -83    7   12 o  133.745   12.093  7741.04  1299.06  5719.38  2063.56  9068.17  1671.94  105.043   24.623  142.867   14.619 -37.82372 28.63544 
1 1 1  -83    7   13 o   51.577   15.618  1233.16  710.320  822.830  1229.42  1438.77  870.277   48.926   19.846   55.165   17.392 -6.239342 26.38817 
1 1 1  -83    7   14 o   72.113   14.722  2434.96  832.875  2718.27  1334.34  2254.13  1066.04   71.368   21.360   66.675   18.851 4.692787 28.48926 
1 1 1  -83    7   15 o   50.172   17.523  1240.06  878.498  1764.90  1411.57  908.268  1122.34   57.152   21.836   46.885   18.982 10.26733 28.93260 
1 1 1  -83    7   16 o   40.739   16.474  666.968  844.369 -2291.0271  1341.20  2609.15  1086.77   29.470   14.629   68.458   18.921 -38.98873 23.91627 
1 1 1  -83    7   17 o   40.113   16.403  723.171  848.250  2756.00  1633.73 -27.0889  992.515   59.962   23.336   34.376   15.749 25.58557 28.15304 
1 1 1  -83    7   18 o   38.095   16.291  678.605  895.083  880.236  1732.04  605.137  1045.51   42.337   19.871   38.180   16.936 4.157101 26.10879 
1 1 1  -83    9    1 o  166.230   37.969 14066.36  5012.41   0.0000   0.0000 14066.36  5012.41  ?   ?   166.230   37.969 0.000000 37.96872 
1 1 1  -83    9    2 o  157.072   39.204 12867.38  4984.18   0.0000   0.0000 12867.38  4984.18  ?   ?   157.072   39.204 0.000000 39.20389 
1 1 1  -83    9    3 o   71.960   32.536 -600.8446  4063.80   0.0000   0.0000 -600.8446  4063.80  ?   ?    71.960   32.536 0.000000 32.53580 
1 1 1  -83    9    4 o  131.650   46.692 10339.31  6255.52   0.0000   0.0000 10339.31  6255.52  ?   ?   131.650   46.692 0.000000 46.69234 
1 1 1  -83    9    5 o  223.296   49.990 30245.44  8837.79   0.0000   0.0000 30245.44  8837.79  ?   ?   223.296   49.990 0.000000 49.98982 
1 1 1  -83    9    6 o   44.953   16.032  765.853  738.458  670.946  745.640  5621.73  5333.52   43.503   16.026  103.676   41.587 -60.17364 44.56804 
1 1 1  -83    9    7 o  150.445   11.077  9491.69  1343.57  6140.15  2252.66 11342.28  1673.89  113.422   25.122  163.737   12.690 -50.31545 28.14526 
1 1 1  -83    9    8 o  156.505   13.607 10475.08  1711.96   0.0000   0.0000 10475.08  1711.96  ?   ?   156.505   13.607 0.000000 13.60722 
1 1 1  -83    9    9 o  143.511   10.861  8684.95  1256.17  7025.03  2177.38  9513.03  1537.91  121.555   22.901  149.163   12.822 -27.60793 26.24635 
1 1 1  -83    9   10 f   83.399   10.487  2964.24  694.420  1553.39  1424.34  3404.15  795.348   60.175   22.153   89.158   11.236 -28.98327 24.83962 
1 1 1  -83    9   11 o   48.255   14.001  1040.60  580.743  1021.67  1180.66  1046.64  667.013   51.731   19.920   48.544   15.214 3.186237 25.06518 
1 1 1  -83    9   12 o  101.407   12.062  4487.57  973.730  3181.13  1739.89  5083.37  1174.97   77.302   24.615  106.864   13.868 -29.56130 28.25263 
1 1 1  -83    9   13 o   92.160   12.637  3782.05  920.742  1709.41  1746.73  4579.54  1083.49   60.127   23.906  100.886   13.571 -40.75912 27.48916 
1 1 1  -83    9   14 o   28.214   13.093 -443.7587  718.174 -3358.6470  1393.55  610.376  838.031   28.053   14.074   41.448   16.533 -13.39510 21.71245 
1 1 1  -83    9   15 o   73.779   16.528  2741.62  965.584  1136.99  1866.52  3327.96  1128.29   52.113   22.892   80.313   17.772 -28.19976 28.98125 
1 1 1  -83    9   16 o   61.743   18.203  2139.40  974.737  1344.89  1950.20  2403.97  1125.39   50.858   22.806   63.814   19.723 -12.95508 30.15124 
1 1 1  -83    9   17 o   47.716   17.228  1322.70  855.389 -655.8500  1721.66  1971.18  985.649   37.553   18.203   56.385   18.573 -18.83172 26.00570 
1 1 1  -83   11    1 o   89.626   34.553  3406.49  3555.68   0.0000   0.0000  3406.49  3555.68  ?   ?    89.626   34.553 0.000000 34.55298 
1 1 1  -83   11    2 o   85.414   35.864  2246.36  4206.39   0.0000   0.0000  2246.36  4206.39  ?   ?    85.414   35.864 0.000000 35.86428 
1 1 1  -83   11    3 o  103.078   41.337  5104.77  5268.27   0.0000   0.0000  5104.77  5268.27  ?   ?   103.078   41.337 0.000000 41.33706 
1 1 1  -83   11    4 o   67.597   31.809 -2551.2661  4488.08   0.0000   0.0000 -2551.2661  4488.08  ?   ?    67.597   31.809 0.000000 31.80894 
1 1 1  -83   11    5 o  108.880   44.336  6620.01  6164.17   0.0000   0.0000  6620.01  6164.17  ?   ?   108.880   44.336 0.000000 44.33564 
1 1 1  -83   11    6 o  133.058   52.150 13489.25  8203.49   0.0000   0.0000 13489.25  8203.49  ?   ?   133.058   52.150 0.000000 52.15026 
1 1 1  -83   11    7 o   38.231   16.238  116.535  878.451   11.088  885.125  7029.15  7166.56   37.255   16.070  106.240   45.777 -68.98523 48.51527 
1 1 1  -83   11    8 o  108.242   9.6416  4913.73  838.518  3973.49  1661.19  5235.21  971.347   91.127   22.569  111.275   10.890 -20.14802 25.05901 
1 1 1  -83   11    9 o   26.556   10.524  170.881  337.503 -168.6357  998.133  214.711  358.627   37.401   16.571   28.024   10.926 9.376974 19.84855 
1 1 1  -83   11   10 o  127.204   11.339  6913.07  1158.85  4371.51  2119.81  7996.38  1383.96   90.846   26.862  136.054   12.674 -45.20826 29.70138 
1 1 1  -83   11   11 o   58.647   13.053  1543.69  605.569  2081.30  1314.89  1398.96  682.227   65.253   21.449   55.276   14.874 9.976402 26.10174 
1 1 1  -83   11   12 o   28.329   12.305 -13.5193  526.286  561.293  1237.04 -140.5528  581.540   46.423   19.469   28.198   12.562 18.22534 23.16979 
1 1 1  -83   11   13 o   90.016   12.280  3618.67  874.107  3242.49  1824.34  3730.77  995.861   74.495   25.281   90.213   14.053 -15.71817 28.92402 
1 1 1  -83   11   14 o   42.812   16.050  789.044  754.152  2955.95  1611.54  181.436  853.360   70.182   23.761   36.325   15.724 33.85637 28.49222 
1 1 1  -83   11   15 o   71.462   15.574  2563.19  878.137  2431.90  1782.52  2605.26  1009.08   60.669   24.140   69.984   17.736 -9.314770 29.95510 
1 1 1  -83   11   16 o   30.254   13.887 -179.2357  776.824 -1538.8610  1839.44  115.891  856.997   36.557   17.953   34.046   15.203 2.511478 23.52541 
1 1 1  -83   11   17 o   38.812   16.548  688.798  918.525   40.227  2131.09  836.773  1017.93   41.112   20.002   40.734   17.395 0.3773270 26.50800 
1 1 1  -83   13    1 o  260.354   43.935 37526.05  8957.29   0.0000   0.0000 37526.05  8957.29  ?   ?   260.354   43.935 0.000000 43.93542 
1 1 1  -83   13    2 o  226.162   46.812 29790.48  8313.22   0.0000   0.0000 29790.48  8313.22  ?   ?   226.162   46.812 0.000000 46.81236 
1 1 1  -83   13    3 o  137.281   46.102 11741.85  6066.19   0.0000   0.0000 11741.85  6066.19  ?   ?   137.281   46.102 0.000000 46.10160 
1 1 1  -83   13    4 f  127.084   47.804 10708.70  6701.37   0.0000   0.0000 10708.70  6701.37  ?   ?   127.084   47.804 0.000000 47.80379 
1 1 1  -83   13    5 o  102.391   45.353  5279.52  7471.59   0.0000   0.0000  5279.52  7471.59  ?   ?   102.391   45.353 0.000000 45.35256 
1 1 1  -83   13    6 o   97.523   43.354  4634.29  6887.88   0.0000   0.0000  4634.29  6887.88  ?   ?    97.523   43.354 0.000000 43.35367 
1 1 1  -83   13    7 o  103.340   46.761  7146.54  8413.05   0.0000   0.0000  7146.54  8413.05  ?   ?   103.340   46.761 0.000000 46.76052 
1 1 1  -83   13    8 o   82.830   25.790  3455.93  1920.22  2899.03  1951.23 20560.36 10813.73   76.625   26.144  129.730   56.063 -53.10446 61.85982 
1 1 1  -83   13    9 o  119.067   11.741  6078.12  1120.36   0.0000   0.0000  6078.12  1120.36  ?   ?   119.067   11.741 0.000000 11.74136 
1 1 1  -83   13   10 o  157.055   13.520 10794.38  1707.32  4130.56  3232.98 13371.56  2010.54   83.340   32.716  174.122   14.348 -90.78187 35.72405 
1 1 1  -83   13   11 f   36.625   12.563  551.744  450.589 -1191.9871  1619.47  698.058  469.112   39.938   18.889   40.067   12.784 -0.1291695 22.80817 
1 1 1  -83   13   12 o   47.902   13.509  1055.14  548.138  704.313  1850.18  1088.90  573.902   52.478   22.928   48.569   13.867 3.909702 26.79546 
1 1 1  -83   13   13 o   57.906   15.236  1619.68  726.029 -155.1281  1892.95  1925.79  786.152   46.394   21.434   63.088   15.466 -16.69365 26.43108 
1 1 1  -83   13   14 o   61.836   14.995  1884.44  745.119  1512.35  2070.44  1939.80  798.629   54.939   24.123   62.174   15.790 -7.234608 28.83087 
1 1 1  -83   13   15 o   28.199   13.092 -335.2233  719.086  1116.26  1718.09 -643.4819  791.770   48.766   21.667   27.401   13.031 21.36492 25.28366 
1 1 1  -83   13   16 o   24.850   11.857 -565.2946  666.715 -344.4048  2188.53 -587.8917  699.988   41.504   20.210   25.381   12.121 16.12236 23.56640 
1 1 1  -83   15    1 o  109.534   40.849  6742.16  4872.85   0.0000   0.0000  6742.16  4872.85  ?   ?   109.534   40.849 0.000000 40.84929 
1 1 1  -83   15    2 o   84.890   36.619  2287.45  4596.45   0.0000   0.0000  2287.45  4596.45  ?   ?    84.890   36.619 0.000000 36.61866 
1 1 1  -83   15    3 o  243.792   53.972 40393.59 10401.65   0.0000   0.0000 40393.59 10401.65  ?   ?   243.792   53.972 0.000000 53.97204 
1 1 1  -83   15    4 o  130.769   50.193 12965.87  7480.12   0.0000   0.0000 12965.87  7480.12  ?   ?   130.769   50.193 0.000000 50.19323 
1 1 1  -83   15    5 o   85.670   39.937  918.441  6802.22   0.0000   0.0000  918.441  6802.22  ?   ?    85.670   39.937 0.000000 39.93703 
1 1 1  -83   15    6 o   77.517   37.217 -1976.9410  6793.62   0.0000   0.0000 -1976.9410  6793.62  ?   ?    77.517   37.217 0.000000 37.21719 
1 1 1  -83   15    7 o   65.298   32.509 -8588.7383  6821.88   0.0000   0.0000 -8588.7383  6821.88  ?   ?    65.298   32.509 0.000000 32.50941 
1 1 1  -83   15    8 o   51.752   21.065  811.784  1390.94  1087.82  1405.64 -12178.7998  9642.85   54.644   21.533   70.376   35.527 -15.73240 41.54334 
1 1 1  -83   15    9 o   46.867   11.039  969.072  413.138  983.595  1453.78  967.796  430.904   53.455   21.617   46.752   11.444 6.703503 24.45888 
1 1 1  -83   15   10 o   46.565   11.780  969.515  445.730 -3012.8000  1857.37  1212.87  459.147   36.322   17.878   52.332   11.147 -16.00986 21.06827 
1 1 1  -83   15   11 o   38.379   12.578  637.630  452.266 -2128.7361  1970.39  791.481  464.673   40.053   19.428   42.005   12.613 -1.952190 23.16335 
1 1 1  -83   15   12 o   22.433   10.116 -152.1219  389.759 -4344.9692  2110.60  -4.0889  396.579   34.892   17.479   24.702   10.706 10.18979 20.49700 
1 1 1  -83   15   13 o   27.961   12.374 -51.2450  555.007 -83.2898  2111.68 -48.8672  575.231   47.224   22.093   28.453   12.594 18.77043 25.43038 
1 1 1  -83   15   14 o   54.384   14.822  1494.35  672.419 -1430.8610  2758.54  1679.15  693.333   44.686   21.953   57.786   14.732 -13.10072 26.43838 
1 1 1  -83   15   15 o   32.721   14.420  159.698  746.006  2864.07  2592.46 -84.4561  778.953   55.736   25.505   30.925   14.085 24.81082 29.13556 
1 1 1  -83   17    1 o   86.455   37.358  2812.13  4800.72   0.0000   0.0000  2812.13  4800.72  ?   ?    86.455   37.358 0.000000 37.35828 
1 1 1  -83   17    2 o  117.523   45.360  9440.02  6133.34   0.0000   0.0000  9440.02  6133.34  ?   ?   117.523   45.360 0.000000 45.36042 
1 1 1  -83   17    3 o   81.075   37.457  643.102  5782.04   0.0000   0.0000  643.102  5782.04  ?   ?    81.075   37.457 0.000000 37.45734 
1 1 1  -83   17    4 o   64.618   31.694 -5903.6240  5675.17   0.0000   0.0000 -5903.6240  5675.17  ?   ?    64.618   31.694 0.000000 31.69356 
1 1 1  -83   17    5 o  104.502   47.148  8761.06  8481.09   0.0000   0.0000  8761.06  8481.09  ?   ?   104.502   47.148 0.000000 47.14829 
1 1 1  -83   17    6 o   77.052   37.605 -2464.5549  7700.09   0.0000   0.0000 -2464.5549  7700.09  ?   ?    77.052   37.605 0.000000 37.60549 
1 1 1  -83   17    7 o  113.433   53.257 21295.32 12460.08   0.0000   0.0000 21295.32 12460.08  ?   ?   113.433   53.257 0.000000 53.25750 
1 1 1  -83   17    8 o   81.459   40.488  978.870 10403.12   0.0000   0.0000  978.870 10403.12  ?   ?    81.459   40.488 0.000000 40.48804 
1 1 1  -83   17    9 o   82.760   29.647  4143.16  2527.95  4173.86  2570.35  3235.87 13974.78   82.834   29.870   80.983   41.091 1.851006 50.80072 
1 1 1  -83   17   10 o   51.342   11.745  1187.94  479.026   0.0000   0.0000  1187.94  479.026  ?   ?    51.342   11.745 0.000000 11.74536 
1 1 1  -83   17   11 o   56.153   11.799  1432.10  520.895 -385.2834  2558.30  1510.71  532.040   50.832   23.949   57.735   11.749 -6.903137 26.67569 
1 1 1  -83   17   12 o   97.309   11.967  4291.15  925.583  6435.66  2995.90  4064.85  973.194   86.827   32.099   93.709   13.152 -6.881760 34.68929 
1 1 1  -83   17   13 o   82.612   12.329  3183.73  801.663  4347.22  2819.60  3081.41  836.172   68.491   29.092   80.471   13.259 -11.98048 31.97077 
1 1 1  -83   17   14 o  103.002   14.241  5288.47  1159.20  3082.04  3663.81  5533.91  1221.98   55.615   26.860  104.651   14.793 -49.03588 30.66417 
1 1 1  -83   19    1 o   80.422   36.453  1663.81  5137.89   0.0000   0.0000  1663.81  5137.89  ?   ?    80.422   36.453 0.000000 36.45257 
1 1 1  -83   19    2 o  111.863   46.135  9892.13  6781.71   0.0000   0.0000  9892.13  6781.71  ?   ?   111.863   46.135 0.000000 46.13465 
1 1 1  -83   19    3 o   75.359   36.027 -1151.1570  6217.69   0.0000   0.0000 -1151.1570  6217.69  ?   ?    75.359   36.027 0.000000 36.02695 
1 1 1  -83   19    4 o  107.535   47.776 11137.28  8352.62   0.0000   0.0000 11137.28  8352.62  ?   ?   107.535   47.776 0.000000 47.77575 
1 1 1  -83   19    5 o  115.315   51.498 17110.06  9836.28   0.0000   0.0000 17110.06  9836.28  ?   ?   115.315   51.498 0.000000 51.49785 
1 1 1  -83   19    6 o   97.252   46.161 11019.73  9841.80   0.0000   0.0000 11019.73  9841.80  ?   ?    97.252   46.161 0.000000 46.16150 
1 1 1  -83   19    7 f   71.068   35.501 -3998.8669  8428.81   0.0000   0.0000 -3998.8669  8428.81  ?   ?    71.068   35.501 0.000000 35.50073 
1 1 1  -83   19    8 o   86.155   42.796 11369.39 11553.92   0.0000   0.0000 11369.39 11553.92  ?   ?    86.155   42.796 0.000000 42.79601 
1 1 1  -83   19    9 o   59.563   27.363  821.347  3024.70  122.714  3102.89 14162.93 13559.54   57.186   26.762   81.031   41.046 -23.84533 48.99989 
1 1 1  -83   19   10 o   92.047   10.987  3744.37  804.942   0.0000   0.0000  3744.37  804.942  ?   ?    92.047   10.987 0.000000 10.98721 
1 1 1  -83   19   11 o   54.518   11.800  1372.66  507.195  2950.73  3428.89  1337.35  512.837   63.874   29.267   53.660   12.064 10.21445 31.65538 
1 1 1  -83   19   12 o   69.051   13.259  2283.68  716.360 -1587.0590  3538.11  2449.14  731.511   48.217   23.905   71.740   13.038 -23.52253 27.22955 
1 1 1  -83   19   13 o   65.405   11.572  2021.08  592.070  601.685  3610.14  2060.31  600.196   49.944   24.648   66.010   11.623 -16.06535 27.25083 
1 1 1  -83   21    1 o   91.325   41.017  5692.49  6334.86   0.0000   0.0000  5692.49  6334.86  ?   ?    91.325   41.017 0.000000 41.01661 
1 1 1  -83   21    2 o   85.588   39.779  3995.58  6668.08   0.0000   0.0000  3995.58  6668.08  ?   ?    85.588   39.779 0.000000 39.77920 
1 1 1  -83   21    3 o   49.996   25.424 -14403.5195  5560.02   0.0000   0.0000 -14403.5195  5560.02  ?   ?    49.996   25.424 0.000000 25.42359 
1 1 1  -83   21    4 o   82.105   39.828  3119.09  8283.58   0.0000   0.0000  3119.09  8283.58  ?   ?    82.105   39.828 0.000000 39.82844 
1 1 1  -83   21    5 o   78.198   38.607  1591.22  8887.95   0.0000   0.0000  1591.22  8887.95  ?   ?    78.198   38.607 0.000000 38.60695 
1 1 1  -83   21    6 o   83.501   41.419  8111.86 10673.20   0.0000   0.0000  8111.86 10673.20  ?   ?    83.501   41.419 0.000000 41.41881 
1 1 1  -83   21    7 o   71.088   35.941 -1062.6740 10094.49   0.0000   0.0000 -1062.6740 10094.49  ?   ?    71.088   35.941 0.000000 35.94094 
1 1 1  -83   21    8 o   78.812   40.039 16283.24 13560.12   0.0000   0.0000 16283.24 13560.12  ?   ?    78.812   40.039 0.000000 40.03906 
1 1 1  -83   21    9 o   76.264   39.257 36008.77 18523.65   0.0000   0.0000 36008.77 18523.65  ?   ?    76.264   39.257 0.000000 39.25681 
1 1 1  -83   21   10 o   68.521   35.393 27730.88 17565.23   0.0000   0.0000 27730.88 17565.23  ?   ?    68.521   35.393 0.000000 35.39287 
1 1 1  -83   21   11 o   55.620   28.864 -8917.7812 14851.39   0.0000   0.0000 -8917.7812 14851.39  ?   ?    55.620   28.864 0.000000 28.86363 
1 1 1  -83   23    1 o  107.207   47.857 16397.14  8485.51   0.0000   0.0000 16397.14  8485.51  ?   ?   107.207   47.857 0.000000 47.85741 
1 1 1  -83   23    2 o   75.695   36.860  2033.61  7280.21   0.0000   0.0000  2033.61  7280.21  ?   ?    75.695   36.860 0.000000 36.85997 
1 1 1  -83   23    3 o   62.877   31.178 -3521.1631  6027.49   0.0000   0.0000 -3521.1631  6027.49  ?   ?    62.877   31.178 0.000000 31.17790 
1 1 1  -83   23    4 o   76.935   38.348  4364.48  9610.11   0.0000   0.0000  4364.48  9610.11  ?   ?    76.935   38.348 0.000000 38.34814 
1 1 1  -83   23    5 o   81.063   40.034 10095.54  9583.28   0.0000   0.0000 10095.54  9583.28  ?   ?    81.063   40.034 0.000000 40.03399 
1 1 1  -83   23    6 o   67.721   34.544 -1367.3030 10907.96   0.0000   0.0000 -1367.3030 10907.96  ?   ?    67.721   34.544 0.000000 34.54441 
1 1 1  -83   23    7 o   65.564   33.651 -919.2730 12005.80   0.0000   0.0000 -919.2730 12005.80  ?   ?    65.564   33.651 0.000000 33.65091 
1 1 1  -83   23    8 o   53.485   27.619 -20547.6797 10544.44   0.0000   0.0000 -20547.6797 10544.44  ?   ?    53.485   27.619 0.000000 27.61906 
1 1 1  -83   23    9 o   64.406   33.379 25555.78 17963.67   0.0000   0.0000 25555.78 17963.67  ?   ?    64.406   33.379 0.000000 33.37904 
1 1 1  -83   23   10 o   51.621   26.848 -27267.0293 16464.04   0.0000   0.0000 -27267.0293 16464.04  ?   ?    51.621   26.848 0.000000 26.84828 
1 1 1  -83   25    1 o   53.926   27.324 -8611.8271  6034.21   0.0000   0.0000 -8611.8271  6034.21  ?   ?    53.926   27.324 0.000000 27.32369 
1 1 1  -83   25    2 o   61.290   30.967 -4672.6421  7421.57   0.0000   0.0000 -4672.6421  7421.57  ?   ?    61.290   30.967 0.000000 30.96701 
1 1 1  -83   25    3 o   45.782   23.529 -19298.1992  6291.65   0.0000   0.0000 -19298.1992  6291.65  ?   ?    45.782   23.529 0.000000 23.52931 
1 1 1  -83   25    4 o   58.107   29.798 -10553.9697  9201.29   0.0000   0.0000 -10553.9697  9201.29  ?   ?    58.107   29.798 0.000000 29.79797 
1 1 1  -83   25    5 o   73.316   37.548 21669.19 14109.48   0.0000   0.0000 21669.19 14109.48  ?   ?    73.316   37.548 0.000000 37.54786 
1 1 1  -83   25    6 o   53.721   27.740 -18268.0898 10621.43   0.0000   0.0000 -18268.0898 10621.43  ?   ?    53.721   27.740 0.000000 27.74021 
1 1 1  -82    0    1 o  237.376   29.399 25258.69  5432.79   0.0000   0.0000 25258.69  5432.79  237.376   29.399  237.376   29.399 -0.000000 0.000000 
1 1 1  -82    0    2 o   57.058   10.329  1453.10  432.004   0.0000   0.0000  1453.10  432.004   57.058   10.329   57.058   10.329 -0.000000 0.000000 
1 1 1  -82    0    3 o   24.309   11.998  356.427  283.866  356.427  283.866   0.0000   0.0000   24.309   11.998   24.309   11.998 0.000000 0.000000 
1 1 1  -82    0    4 o  106.322   10.470  4756.88  883.762  4756.88  883.762   0.0000   0.0000  106.322   10.470  106.322   10.470 0.000000 0.000000 
1 1 1  -82    0    5 o  207.139   14.705 17957.68  2444.58 17957.68  2444.58   0.0000   0.0000  207.139   14.705  207.139   14.705 0.000000 0.000000 
1 1 1  -82    0    6 o   64.887   14.265  1958.08  657.730  1958.08  657.730   0.0000   0.0000   64.887   14.265   64.887   14.265 0.000000 0.000000 
1 1 1  -82    0    7 o   73.149   14.915  2454.88  783.627   0.0000   0.0000  2454.88  783.627   73.149   14.915   73.149   14.915 -0.000000 0.000000 
1 1 1  -82    0    8 o   20.203   13.226 -65.2615  538.170 -65.2615  538.170   0.0000   0.0000   20.203   13.226   20.203   13.226 0.000000 0.000000 
1 1 1  -82    0    9 o  103.931   15.044  4732.41  1192.17  4732.41  1192.17   0.0000   0.0000  103.931   15.044  103.931   15.044 0.000000 0.000000 
1 1 1  -82    0   10 o   72.794   20.142  2653.15  1029.69   0.0000   0.0000  2653.15  1029.69   72.794   20.142   72.794   20.142 -0.000000 0.000000 
1 1 1  -82    0   11 o  169.760   17.405 12424.72  2341.30   0.0000   0.0000 12424.72  2341.30  169.760   17.405  169.760   17.405 -0.000000 0.000000 
1 1 1  -82    0   12 o   18.249   12.843 -815.1458  744.035   0.0000   0.0000 -815.1458  744.035   18.249   12.843   18.249   12.843 -0.000000 0.000000 
1 1 1  -82    0   13 o   21.767   14.959 -560.4019  861.098   0.0000   0.0000 -560.4019  861.098   21.767   14.959   21.767   14.959 -0.000000 0.000000 
1 1 1  -82    0   14 o   82.471   24.564  3590.97  1431.82  3590.97  1431.82   0.0000   0.0000   82.471   24.564   82.471   24.564 0.000000 0.000000 
1 1 1  -82    0   15 o   43.061   24.220  1171.94  1285.13  1171.94  1285.13   0.0000   0.0000   43.061   24.220   43.061   24.220 0.000000 0.000000 
1 1 1  -82    0   16 o   90.152   27.303  4467.39  1743.86  4467.39  1743.86   0.0000   0.0000   90.152   27.303   90.152   27.303 0.000000 0.000000 
1 1 1  -82    0   17 o   64.037   29.198  2824.32  1648.83   0.0000   0.0000  2824.32  1648.83   64.037   29.198   64.037   29.198 -0.000000 0.000000 
1 1 1  -82    0   18 o   78.215   30.501  4025.04  1848.99   0.0000   0.0000  4025.04  1848.99   78.215   30.501   78.215   30.501 -0.000000 0.000000 
1 1 1  -82    0   19 o   30.182   20.490 -314.4479  1511.99   0.0000   0.0000 -314.4479  1511.99   30.182   20.490   30.182   20.490 -0.000000 0.000000 
1 1 1  -82    2    1 o  199.668   11.585 16505.25  1870.05 15436.69  2073.31 21167.28  4330.64  192.462   13.350  219.133   24.774 -26.67102 28.14222 
1 1 1  -82    2    2 o  117.005   10.867  5687.66  1020.64  6060.98  1076.88  2391.26  3199.95  120.753   11.108   82.947   32.553 37.80605 34.39558 
1 1 1  -82    2    3 f  114.577   23.440  5890.79  2107.15  5424.68  2771.41  6529.43  3244.00  107.327   30.413  116.604   32.856 -9.277351 44.77127 
1 1 1  -82    2    4 o  262.638   11.315 28511.84  2412.91 28358.11  3412.14 28665.60  3412.59  259.006   16.308  260.469   16.216 -1.462982 22.99823 
1 1 1  -82    2    5 o  192.643   10.817 15380.13  1685.17 15143.57  2333.19 15638.12  2436.55  189.235   15.316  192.096   15.760 -2.860825 21.97656 
1 1 1  -82    2    6 o  106.360   8.4947  4675.95  727.487  4120.28  1093.82  5116.72  974.186   98.236   14.119  110.654   10.988 -12.41779 17.89082 
1 1 1  -82    2    7 o  145.340   9.9538  8768.95  1167.58  9008.34  1747.91  8576.06  1568.98  145.325   15.030  142.323   13.748 3.002502 20.36944 
1 1 1  -82    2    8 o  236.439   13.566 23608.76  2593.56 24098.99  3748.54 23158.58  3592.16  233.770   19.939  229.574   19.454 4.195679 27.85695 
1 1 1  -82    2    9 o  167.839   11.252 11813.58  1524.52 12334.73  2247.82 11369.68  2074.57  168.408   16.657  162.066   15.973 6.342819 23.07769 
1 1 1  -82    2   10 o  126.167   10.500  6687.76  1065.91  7248.12  1648.32  6285.01  1397.41  128.566   16.146  120.432   14.588 8.134209 21.76004 
1 1 1  -82    2   11 o  132.111   11.368  7404.36  1207.61  5311.79  1830.90  9015.67  1606.62  105.628   22.059  144.411   13.873 -38.78264 26.05880 
1 1 1  -82    2   12 o  197.539   13.084 16836.00  2086.65 17525.31  3057.35 16234.93  2854.97  194.667   19.610  188.063   18.955 6.604111 27.27314 
1 1 1  -82    2   13 o   38.130   14.736  478.280  647.921  854.183  1095.66  276.141  803.459   48.655   19.062   37.914   15.778 10.74144 24.74475 
1 1 1  -82    2   14 o   55.444   16.067  1447.47  765.243  1891.55  1295.29  1209.37  948.459   61.674   21.292   51.617   18.195 10.05680 28.00706 
1 1 1  -82    2   15 o   38.770   15.911  422.246  801.679  982.017  1223.93   1.6323  1060.95   49.441   19.890   38.325   17.027 11.11603 26.18276 
1 1 1  -82    2   16 o   49.380   17.295  1203.60  856.106  2854.54  1394.92  205.982  1084.34   70.120   22.005   39.493   17.396 30.62725 28.05077 
1 1 1  -82    2   17 o   33.485   15.302 -142.9964  929.157  791.731  1324.11 -1049.7760  1304.17   45.045   19.542   33.469   16.129 11.57605 25.33872 
1 1 1  -82    2   18 o   26.076   12.840 -1372.5880  961.331 -269.9385  1396.74 -2365.0759  1325.14   36.725   17.420   27.961   13.984 8.764013 22.33799 
1 1 1  -82    2   19 o   34.692   16.072  201.690  1075.23  495.741  1466.21 -140.4426  1581.54   38.637   18.181   36.320   17.567 2.316486 25.28142 
1 1 1  -82    4    1 o  110.244   10.506  5046.52  929.059  5046.52  929.059   0.0000   0.0000  110.244   10.506  ?   ?  0.000000 10.50594 
1 1 1  -82    4    2 o  102.530   11.841  4400.51  967.688  4400.51  967.688   0.0000   0.0000  102.530   11.841  ?   ?  0.000000 11.84149 
1 1 1  -82    4    3 o  258.884   16.924 28384.27  3537.93 27799.44  3986.42 30553.54  7677.56  254.530   19.436  247.890   39.467 6.639771 43.99324 
1 1 1  -82    4    4 o   58.886   13.769  1502.22  646.565  1473.49  655.361  2550.78  3959.52   58.287   14.019   87.385   35.553 -29.09770 38.21665 
1 1 1  -82    4    5 o  236.539   15.292 23632.04  2921.33 15694.65  6670.23 25515.88  3249.56  165.697   47.262  245.099   16.423 -79.40245 50.03453 
1 1 1  -82    4    6 o  135.919   8.5325  7621.63  936.885  8763.91  1456.30  6815.04  1223.75  144.508   12.536  127.503   11.960 17.00500 17.32597 
1 1 1  -82    4    7 o   58.044   9.3248  1423.11  424.594  1651.24  827.992  1341.72  494.572   61.185   16.353   55.877   11.289 5.307602 19.87130 
1 1 1  -82    4    8 o   68.555   9.7041  1981.35  525.081  2076.38  983.186  1943.43  621.069   68.089   17.641   67.320   11.792 0.7697754 21.21903 
1 1 1  -82    4    9 o   86.474   10.309  3151.45  709.596  3009.23  1211.38  3225.75  875.535   81.398   18.719   86.664   12.830 -5.266022 22.69373 
1 1 1  -82    4   10 o  131.952   10.800  7330.56  1146.94  7305.46  1810.84  7347.38  1482.13  127.895   17.930  130.434   14.225 -2.539124 22.88789 
1 1 1  -82    4   11 o  163.603   11.916 11387.09  1572.03 11124.36  2421.11 11578.59  2067.01  155.932   19.552  162.161   15.903 -6.228592 25.20318 
1 1 1  -82    4   12 o  104.220   11.917  4681.12  990.338  4020.41  1691.33  5025.83  1221.67   89.783   23.075  106.624   14.486 -16.84072 27.24512 
1 1 1  -82    4   13 o   50.058   16.044  1130.16  738.265  1132.31  1243.96  1128.99  917.270   53.036   20.440   50.813   17.895 2.222878 27.16670 
1 1 1  -82    4   14 o   37.048   15.325  311.738  751.368 -1450.2820  1410.68  1009.59  887.776   35.433   16.998   48.244   17.530 -12.81091 24.41808 
1 1 1  -82    4   15 o   38.094   15.757  383.051  794.351 -560.1940  1288.81  960.882  1008.73   37.605   17.481   47.545   18.383 -9.939602 25.36807 
1 1 1  -82    4   16 o   28.985   13.636 -588.2213  823.783 -2747.2261  1651.10  127.344  950.544   32.732   16.245   36.900   16.269 -4.168053 22.99065 
1 1 1  -82    4   17 o   55.909   18.766  1789.86  1005.16  1791.81  2017.75  1789.21  1159.24   53.652   23.676   54.902   20.020 -1.249882 31.00541 
1 1 1  -82    4   18 o   40.450   17.889  644.333  1157.92  1869.79  2092.35  103.339  1390.21   49.863   22.852   38.387   17.948 11.47589 29.05799 
1 1 1  -82    4   19 o   38.007   17.565  579.562  1273.05  2433.38  2130.12 -450.4803  1587.81   47.350   22.164   34.883   17.036 12.46643 27.95457 
1 1 1  -82    6    1 o  120.654   33.850  7043.18  3451.07   0.0000   0.0000  7043.18  3451.07  ?   ?   120.654   33.850 0.000000 33.85031 
1 1 1  -82    6    2 o   56.553   14.482  1385.79  667.919  1246.21  689.577  3503.65  2686.14   53.798   15.145   88.921   30.664 -35.12333 34.19982 
1 1 1  -82    6    3 o  145.071   12.530  8797.19  1461.46  7331.25  1553.01 20141.66  4320.25  131.577   14.793  211.852   25.637 -80.27444 29.59879 
1 1 1  -82    6    4 o  109.480   13.487  5069.33  1173.59  5176.34  1217.89  3678.06  4391.38  110.517   13.878   95.361   37.907 15.15676 40.36782 
1 1 1  -82    6    5 o   71.744   15.318  2245.53  865.181  1975.84  879.641 10246.82  4791.30   67.036   16.315  138.481   40.225 -71.44439 43.40794 
1 1 1  -82    6    6 o   48.682   9.8814  1012.86  377.254  176.979  837.466  1225.67  422.556   38.481   16.069   53.631   10.073 -15.14948 18.96566 
1 1 1  -82    6    7 o  142.211   9.7428  8399.66  1118.23  9532.57  1884.07  7783.54  1389.41  148.919   15.824  135.782   12.752 13.13721 20.32238 
1 1 1  -82    6    8 o  174.006   11.238 12676.97  1579.27 12515.78  2485.74 12786.08  2045.06  168.683   18.449  172.918   14.705 -4.235214 23.59292 
1 1 1  -82    6    9 o  220.603   13.150 20651.89  2344.81 20929.63  3557.85 20438.62  3117.69  215.535   20.580  215.480   17.984 0.5592346E-01 27.33014 
1 1 1  -82    6   10 o   45.962   13.042  922.967  509.310 -45.3758  1043.71  1225.62  583.498   39.508   17.242   52.644   13.566 -13.13627 21.93924 
1 1 1  -82    6   11 o   94.519   10.932  3808.28  823.476  3243.71  1383.54  4118.01  1024.76   82.464   20.696   97.263   13.326 -14.79943 24.61491 
1 1 1  -82    6   12 f   69.227   13.087  2124.59  708.682  1470.88  1232.23  2447.68  866.288   57.596   20.692   73.548   15.014 -15.95209 25.56503 
1 1 1  -82    6   13 o   45.813   16.592  867.503  794.281 -370.6246  1315.76  1577.39  996.294   40.351   18.351   57.753   18.651 -17.40190 26.16520 
1 1 1  -82    6   14 o   26.544   12.375 -490.2059  653.252 -799.7746  1281.55 -381.5332  759.304   36.612   17.154   29.921   13.732 6.691143 21.97392 
1 1 1  -82    6   15 o   44.541   16.440  868.875  785.193  2320.78  1287.66   9.4260  990.696   65.272   21.215   37.065   16.461 28.20679 26.85238 
1 1 1  -82    6   16 o   75.100   15.600  2794.41  920.172  2637.97  1521.03  2884.71  1155.63   65.198   23.035   72.731   19.263 -7.533455 30.02771 
1 1 1  -82    6   17 o   39.329   16.122  625.449  822.013  891.784  1551.03  521.423  969.342   46.123   20.534   39.443   16.912 6.679672 26.60253 
1 1 1  -82    6   18 o   66.726   20.162  2964.92  1184.68  3560.97  1927.62  2603.13  1501.78   60.687   24.761   56.959   22.316 3.728058 33.33382 
1 1 1  -82    8    1 o  220.508   33.992 23223.46  5890.44   0.0000   0.0000 23223.46  5890.44  ?   ?   220.508   33.992 0.000000 33.99163 
1 1 1  -82    8    2 o   88.028   34.514  2966.01  3594.25   0.0000   0.0000  2966.01  3594.25  ?   ?    88.028   34.514 0.000000 34.51428 
1 1 1  -82    8    3 o  166.270   42.456 14778.04  5751.83   0.0000   0.0000 14778.04  5751.83  ?   ?   166.270   42.456 0.000000 42.45592 
1 1 1  -82    8    4 o   93.139   39.007  2954.41  4955.05   0.0000   0.0000  2954.41  4955.05  ?   ?    93.139   39.007 0.000000 39.00703 
1 1 1  -82    8    5 o  112.350   13.442  5353.10  1201.92  5251.10  1230.93  7441.09  5569.21  111.079   13.956  116.773   43.647 -5.693710 45.82357 
1 1 1  -82    8    6 o   84.907   15.747  3148.64  1045.68  2778.93  1065.88 12628.86  5397.46   79.217   17.074  149.059   42.514 -69.84223 45.81453 
1 1 1  -82    8    7 o   40.669   9.6770  711.338  314.921  989.690  724.552  646.505  349.678   48.697   15.918   38.843   10.731 9.854721 19.19761 
1 1 1  -82    8    8 o  105.166   8.9983  4605.21  760.981  5151.19  1398.40  4375.50  907.044  108.346   16.409  101.812   11.155 6.533646 19.84182 
1 1 1  -82    8    9 o   39.591   11.353  673.977  383.854  704.803  806.148  664.938  436.515   44.524   16.613   39.662   12.288 4.861660 20.66338 
1 1 1  -82    8   10 o   32.055   11.279  387.838  364.313 -536.4548  918.950  560.197  396.830   32.898   15.102   36.689   11.763 -3.790951 19.14269 
1 1 1  -82    8   11 o  117.714   10.815  5890.52  1022.17  3967.24  1726.00  6929.43  1268.55   89.211   23.500  126.838   12.479 -37.62717 26.60812 
1 1 1  -82    8   12 o   58.151   13.651  1525.76  633.523 -632.5159  1179.93  2399.96  750.944   36.712   16.947   73.567   13.049 -36.85546 21.38886 
1 1 1  -82    8   13 o   76.811   14.107  2677.17  847.384  861.820  1347.25  3865.42  1089.99   50.510   20.665   91.972   15.121 -41.46248 25.60691 
1 1 1  -82    8   14 f   35.239   14.278  339.098  635.524  1056.65  1044.12 -83.1877  800.990   49.397   18.802   33.340   14.805 16.05635 23.93079 
1 1 1  -82    8   15 o   49.988   17.563  1218.24  883.125  101.823  1358.53  2035.27  1162.18   42.232   18.979   61.422   20.164 -19.19068 27.69106 
1 1 1  -82    8   16 o   43.439   17.292  828.452  914.908  673.800  1676.58  894.035  1091.80   47.011   21.108   45.268   18.572 1.743423 28.11527 
1 1 1  -82    8   17 o   25.303   12.340 -1069.4821  824.933 -1570.5861  1628.95 -896.6426  956.680   34.345   16.873   28.525   13.764 5.819918 21.77467 
1 1 1  -82    8   18 o   65.272   18.947  2758.37  1063.31  4099.39  1947.88  2189.15  1269.07   62.907   25.168   53.807   20.669 9.099590 32.56753 
1 1 1  -82   10    1 o  229.376   36.498 25956.11  6569.77   0.0000   0.0000 25956.11  6569.77  ?   ?   229.376   36.498 0.000000 36.49758 
1 1 1  -82   10    2 o  116.069   38.043  6897.96  4137.39   0.0000   0.0000  6897.96  4137.39  ?   ?   116.069   38.043 0.000000 38.04307 
1 1 1  -82   10    3 o  108.837   41.145  5944.25  4978.69   0.0000   0.0000  5944.25  4978.69  ?   ?   108.837   41.145 0.000000 41.14482 
1 1 1  -82   10    4 o   67.450   31.363 -1963.6060  4152.68   0.0000   0.0000 -1963.6060  4152.68  ?   ?    67.450   31.363 0.000000 31.36341 
1 1 1  -82   10    5 o   89.558   38.606  2425.72  5101.89   0.0000   0.0000  2425.72  5101.89  ?   ?    89.558   38.606 0.000000 38.60598 
1 1 1  -82   10    6 o  141.134   15.948  8596.08  1795.56  6634.11  1870.37 31659.65  6412.77  121.990   19.543  253.406   31.872 -131.4159 37.38615 
1 1 1  -82   10    7 o  149.559   11.704  9411.09  1409.90  3554.41  2400.16 12496.77  1742.17   85.722   28.998  172.021   12.560 -86.29861 31.60080 
1 1 1  -82   10    8 o  120.163   10.211  6053.65  986.863  3794.90  1805.06  7016.63  1178.60   88.730   24.327  128.955   11.373 -40.22507 26.85446 
1 1 1  -82   10    9 o   22.081   8.9744   85.449  251.964 -1030.9310  897.007  181.079  262.533   29.089   13.845   24.722   9.4237 4.366724 16.74755 
1 1 1  -82   10   10 o   57.241   12.584  1445.99  568.932  662.633  1227.08  1660.50  642.121   48.781   19.813   61.196   13.302 -12.41489 23.86439 
1 1 1  -82   10   11 o  174.532   15.021 13459.89  2107.89  2537.28  3342.86 20669.42  2715.87   74.712   31.702  215.810   15.604 -141.0982 35.33443 
1 1 1  -82   10   12 o  151.335   12.363  9956.61  1505.93  7616.67  2522.23 11252.85  1877.26  118.641   26.813  158.800   14.727 -40.15952 30.59141 
1 1 1  -82   10   13 o  134.252   12.739  7970.88  1372.02  5427.59  2346.24  9292.54  1691.35   95.063   28.295  143.077   14.771 -48.01378 31.91900 
1 1 1  -82   10   14 f   88.219   13.422  3559.45  931.128  3924.94  1852.36  3435.87  1077.10   80.958   25.350   84.500   16.289 -3.541702 30.13257 
1 1 1  -82   10   15 o   41.150   16.103  684.209  781.290  269.786  1672.23  799.934  883.667   45.651   20.732   43.551   17.102 2.100334 26.87563 
1 1 1  -82   10   16 o   52.270   18.596  1525.81  992.977  1394.48  1695.12  1594.42  1225.19   50.922   22.101   52.504   20.271 -1.581673 29.98983 
1 1 1  -82   10   17 o   38.718   16.752  559.280  967.718  491.314  1698.34  591.956  1177.58   42.596   19.890   40.424   17.950 2.172131 26.79214 
1 1 1  -82   12    1 o  128.736   39.193  8803.33  4464.33   0.0000   0.0000  8803.33  4464.33  ?   ?   128.736   39.193 0.000000 39.19307 
1 1 1  -82   12    2 o  118.983   40.039  7591.60  4575.71   0.0000   0.0000  7591.60  4575.71  ?   ?   118.983   40.039 0.000000 40.03897 
1 1 1  -82   12    3 o  107.098   40.716  5903.78  4892.67   0.0000   0.0000  5903.78  4892.67  ?   ?   107.098   40.716 0.000000 40.71562 
1 1 1  -82   12    4 o  148.394   48.324 13904.08  6679.87   0.0000   0.0000 13904.08  6679.87  ?   ?   148.394   48.324 0.000000 48.32433 
1 1 1  -82   12    5 o  110.075   44.707  6852.16  6247.54   0.0000   0.0000  6852.16  6247.54  ?   ?   110.075   44.707 0.000000 44.70705 
1 1 1  -82   12    6 o  104.302   45.595  5694.22  7325.11   0.0000   0.0000  5694.22  7325.11  ?   ?   104.302   45.595 0.000000 45.59505 
1 1 1  -82   12    7 o   42.433   17.587  318.256  992.487  252.664  1002.04  3710.39  7206.01   41.882   17.541   95.609   43.268 -53.72709 46.68833 
1 1 1  -82   12    8 o  128.890   11.326  7028.70  1173.30  1992.74  2274.97  8853.63  1369.48   69.868   27.439  144.534   11.772 -74.66557 29.85713 
1 1 1  -82   12    9 o   91.949   11.309  3613.79  826.538   0.0000   0.0000  3613.79  826.538  ?   ?    91.949   11.309 0.000000 11.30921 
1 1 1  -82   12   10 o   27.790   11.102  181.336  378.418  764.273  1242.91  121.779  397.279   49.704   20.027   27.197   11.186 22.50667 22.93875 
1 1 1  -82   12   11 o   76.864   11.091  2560.70  672.144  2395.04  1677.07  2592.40  733.643   69.003   24.204   76.877   12.157 -7.874229 27.08601 
1 1 1  -82   12   12 o   35.720   13.064  484.271  494.208  2162.45  1541.83  292.110  521.736   65.135   23.173   32.720   13.047 32.41576 26.59323 
1 1 1  -82   12   13 o   53.734   15.137  1367.95  688.639  1772.45  1625.80  1279.51  760.201   59.578   23.253   51.856   16.240 7.721947 28.36311 
1 1 1  -82   12   14 o   41.523   15.004  754.998  649.037  2465.59  1704.72  465.005  701.900   64.374   24.131   37.534   15.076 26.84000 28.45302 
1 1 1  -82   12   15 o   29.012   13.400 -325.9552  739.098  293.424  1744.21 -461.5099  815.978   45.340   20.811   29.465   13.768 15.87466 24.95303 
1 1 1  -82   12   16 o   24.038   11.652 -868.0184  705.316 -44.0761  1600.57 -1066.5730  785.718   40.521   19.045   24.619   12.015 15.90203 22.51826 
1 1 1  -82   12   17 o   37.974   16.229  619.623  887.250  2517.74  1957.16  128.632  995.412   52.327   23.193   34.533   15.803 17.79352 28.06497 
1 1 1  -82   14    1 o  183.480   42.633 18711.45  6230.31   0.0000   0.0000 18711.45  6230.31  ?   ?   183.480   42.633 0.000000 42.63255 
1 1 1  -82   14    2 o  157.094   44.615 14518.22  5957.27   0.0000   0.0000 14518.22  5957.27  ?   ?   157.094   44.615 0.000000 44.61541 
1 1 1  -82   14    3 o   60.103   28.851 -3928.7219  4078.70   0.0000   0.0000 -3928.7219  4078.70  ?   ?    60.103   28.851 0.000000 28.85130 
1 1 1  -82   14    4 o  134.667   49.213 12427.94  7010.57   0.0000   0.0000 12427.94  7010.57  ?   ?   134.667   49.213 0.000000 49.21256 
1 1 1  -82   14    5 o   91.645   41.192  2628.70  6403.18   0.0000   0.0000  2628.70  6403.18  ?   ?    91.645   41.192 0.000000 41.19242 
1 1 1  -82   14    6 o   97.872   43.594  4717.50  6999.13   0.0000   0.0000  4717.50  6999.13  ?   ?    97.872   43.594 0.000000 43.59361 
1 1 1  -82   14    7 o  141.419   58.891 22899.77 11203.78   0.0000   0.0000 22899.77 11203.78  ?   ?   141.419   58.891 0.000000 58.89116 
1 1 1  -82   14    8 f   68.495   25.556  2111.68  1907.66  1218.32  1947.61 23220.68  9467.26   60.788   24.856  149.174   56.655 -88.38547 61.86760 
1 1 1  -82   14    9 o  108.452   11.122  5023.76  965.524  1548.98  2282.50  5781.03  1065.55   64.723   26.736  116.248   11.437 -51.52568 29.07908 
1 1 1  -82   14   10 o   26.531   10.635  160.976  348.537  1137.40  1557.55  109.505  357.606   55.719   22.430   25.794   10.611 29.92487 24.81306 
1 1 1  -82   14   11 o  125.167   11.540  6792.74  1159.66  5213.54  2641.32  7169.83  1290.70   91.931   30.409  127.859   12.596 -35.92730 32.91484 
1 1 1  -82   14   12 o   71.711   13.294  2339.14  745.543  577.721  2179.76  2572.50  793.393   54.042   24.180   75.164   13.496 -21.12206 27.69179 
1 1 1  -82   14   13 o  120.342   12.458  6515.09  1199.65  4121.85  2716.59  7094.86  1337.09   75.242   29.845  124.675   13.419 -49.43348 32.72311 
1 1 1  -82   14   14 o  127.946   13.021  7580.91  1333.85  7456.98  2974.19  7612.11  1492.35   93.129   32.257  125.930   14.883 -32.80090 35.52515 
1 1 1  -82   14   15 o   41.297   15.464  806.253  699.689  1238.75  2334.55  763.570  733.403   51.025   23.654   40.805   15.703 10.22068 28.39192 
1 1 1  -82   14   16 o   19.241   9.7052 -1941.7850  711.149 -6932.8799  2279.81 -1403.7930  748.496   29.396   15.058   22.022   10.931 7.374105 18.60708 
1 1 1  -82   16    1 o  109.449   42.717  6855.37  5486.40   0.0000   0.0000  6855.37  5486.40  ?   ?   109.449   42.717 0.000000 42.71698 
1 1 1  -82   16    2 o   77.684   34.718  750.631  4479.23   0.0000   0.0000  750.631  4479.23  ?   ?    77.684   34.718 0.000000 34.71758 
1 1 1  -82   16    3 f  141.891   49.511 14278.06  7012.77   0.0000   0.0000 14278.06  7012.77  ?   ?   141.891   49.511 0.000000 49.51059 
1 1 1  -82   16    4 o  116.312   47.582  9564.58  7141.58   0.0000   0.0000  9564.58  7141.58  ?   ?   116.312   47.582 0.000000 47.58236 
1 1 1  -82   16    5 o  172.254   59.751 27742.13 10206.30   0.0000   0.0000 27742.13 10206.30  ?   ?   172.254   59.751 0.000000 59.75052 
1 1 1  -82   16    6 f  144.806   57.120 21973.41  9899.62   0.0000   0.0000 21973.41  9899.62  ?   ?   144.806   57.120 0.000000 57.11974 
1 1 1  -82   16    7 o   52.019   26.452 -16492.8203  6016.26   0.0000   0.0000 -16492.8203  6016.26  ?   ?    52.019   26.452 0.000000 26.45162 
1 1 1  -82   16    8 o   24.206   10.608 -68.2701  398.647 -50.0115  398.990 -10672.0195  9615.19   24.480   10.673   71.428   35.985 -46.94752 37.53398 
1 1 1  -82   16    9 o   50.608   22.040  361.472  1697.40  582.146  1717.00 -9136.5107 11264.44   52.420   22.494   73.967   37.461 -21.54672 43.69575 
1 1 1  -82   16   10 o   80.962   8.6625  2779.70  560.626 39223.66  2226.18  311.913  579.297  305.276   8.9811   34.194   13.709 271.0824 16.38910 
1 1 1  -82   16   11 f   83.596   11.049  3061.46  731.578  876.548  2410.98  3283.03  767.777   57.272   25.542   86.530   11.190 -29.25755 27.88577 
1 1 1  -82   16   12 o   35.777   12.765  525.488  468.197  1538.32  2237.08  479.092  478.800   58.436   25.376   34.962   12.848 23.47434 28.44341 
1 1 1  -82   16   13 o   41.720   14.716  793.280  620.574  1400.70  2441.76  751.336  641.643   55.802   25.226   41.094   14.908 14.70852 29.30183 
1 1 1  -82   16   14 o   62.466   8.6430  1718.40  426.627 -676.4294  2758.51  1777.09  431.822   46.550   22.672   63.569   8.5857 -17.01939 24.24353 
1 1 1  -82   16   15 o   30.914   10.976  417.108  345.742 -2222.9150  2828.72  457.146  348.354   40.796   20.407   31.921   11.041 8.874563 23.20187 
1 1 1  -82   18    1 o  111.293   43.230  7905.39  5598.37   0.0000   0.0000  7905.39  5598.37  ?   ?   111.293   43.230 0.000000 43.23000 
1 1 1  -82   18    2 f   74.005   34.221 -356.3290  4841.69   0.0000   0.0000 -356.3290  4841.69  ?   ?    74.005   34.221 0.000000 34.22075 
1 1 1  -82   18    3 o  113.080   46.759  9466.09  6991.84   0.0000   0.0000  9466.09  6991.84  ?   ?   113.080   46.759 0.000000 46.75861 
1 1 1  -82   18    4 o   73.939   35.508 -2397.6909  6192.50   0.0000   0.0000 -2397.6909  6192.50  ?   ?    73.939   35.508 0.000000 35.50793 
1 1 1  -82   18    5 o   93.165   43.508  4556.73  8129.81   0.0000   0.0000  4556.73  8129.81  ?   ?    93.165   43.508 0.000000 43.50795 
1 1 1  -82   18    6 o   97.446   45.647  7631.33  9064.46   0.0000   0.0000  7631.33  9064.46  ?   ?    97.446   45.647 0.000000 45.64692 
1 1 1  -82   18    7 o  108.944   50.126 15790.18 10203.06   0.0000   0.0000 15790.18 10203.06  ?   ?   108.944   50.126 0.000000 50.12601 
1 1 1  -82   18    8 o   90.478   44.396  9056.87 11171.64   0.0000   0.0000  9056.87 11171.64  ?   ?    90.478   44.396 0.000000 44.39554 
1 1 1  -82   18    9 o   65.720   28.155  1897.10  2682.15  1498.46  2748.70  9830.83 12262.33   63.683   27.882   85.476   42.716 -21.79285 51.01064 
1 1 1  -82   18   10 o  139.371   13.033  8663.06  1457.75   0.0000   0.0000  8663.06  1457.75  ?   ?   139.371   13.033 0.000000 13.03300 
1 1 1  -82   18   11 o   34.008   11.819  480.413  399.452  1192.60  2769.26  465.280  403.673   58.343   26.567   33.708   11.871 24.63507 29.09886 
1 1 1  -82   18   12 o   34.139   12.481  472.293  450.961 -372.8420  2663.25  497.240  457.568   49.440   23.620   34.729   12.591 14.71143 26.76614 
1 1 1  -82   18   13 o   57.627   8.7104  1466.09  394.856 -5813.4419  3049.72  1590.20  398.208   38.264   19.392   60.234   8.3680 -21.96978 21.12032 
1 1 1  -82   18   14 o   40.073   12.656  786.239  460.699 -9686.0957  2943.89  1049.15  466.447   31.863   16.369   46.267   12.231 -14.40451 20.43362 
1 1 1  -82   20    1 o   90.401   39.791  4262.83  5663.90   0.0000   0.0000  4262.83  5663.90  ?   ?    90.401   39.791 0.000000 39.79055 
1 1 1  -82   20    2 o  117.638   47.866 11933.60  7178.36   0.0000   0.0000 11933.60  7178.36  ?   ?   117.638   47.866 0.000000 47.86648 
1 1 1  -82   20    3 o   92.266   42.298  5064.76  7175.84   0.0000   0.0000  5064.76  7175.84  ?   ?    92.266   42.298 0.000000 42.29847 
1 1 1  -82   20    4 o  107.085   47.969 11718.99  8604.76   0.0000   0.0000 11718.99  8604.76  ?   ?   107.085   47.969 0.000000 47.96932 
1 1 1  -82   20    5 o  117.517   52.580 19599.90 10306.07   0.0000   0.0000 19599.90 10306.07  ?   ?   117.517   52.580 0.000000 52.58031 
1 1 1  -82   20    6 o   55.959   28.445 -14893.3604  6914.22   0.0000   0.0000 -14893.3604  6914.22  ?   ?    55.959   28.445 0.000000 28.44513 
1 1 1  -82   20    7 o   85.733   42.119  7381.26 10153.27   0.0000   0.0000  7381.26 10153.27  ?   ?    85.733   42.119 0.000000 42.11900 
1 1 1  -82   20    8 o   77.328   38.842  3491.11 10773.79   0.0000   0.0000  3491.11 10773.79  ?   ?    77.328   38.842 0.000000 38.84179 
1 1 1  -82   20    9 o   37.554   18.650 -3702.2739  2189.44 -3970.7681  2219.58  5983.45 13331.18   37.232   18.537   74.689   38.107 -37.45750 42.37692 
1 1 1  -82   20   10 o   70.296   36.220  8875.75 16383.41   0.0000   0.0000  8875.75 16383.41  ?   ?    70.296   36.220 0.000000 36.21951 
1 1 1  -82   20   11 o   29.353   11.184  304.493  369.708 -3275.0979  3630.22  342.009  371.640   47.165   23.519   30.200   11.278 16.96544 26.08320 
1 1 1  -82   20   12 o   64.064   10.805  1879.56  542.053 -3295.1460  3841.09  1984.71  547.532   45.989   23.113   66.020   10.571 -20.03114 25.41525 
1 1 1  -82   20   13 o   38.514   12.469  717.614  445.049  754.322  3919.39  717.135  447.946   50.019   24.860   38.500   12.513 11.51921 27.83113 
1 1 1  -82   22    1 o  104.090   45.354 10454.04  7195.00   0.0000   0.0000 10454.04  7195.00  ?   ?   104.090   45.354 0.000000 45.35384 
1 1 1  -82   22    2 o   89.810   40.316  5895.82  6112.58   0.0000   0.0000  5895.82  6112.58  ?   ?    89.810   40.316 0.000000 40.31643 
1 1 1  -82   22    3 o   95.695   44.848 10033.10  8767.32   0.0000   0.0000 10033.10  8767.32  ?   ?    95.695   44.848 0.000000 44.84773 
1 1 1  -82   22    4 o   82.557   40.192  4128.29  8640.62   0.0000   0.0000  4128.29  8640.62  ?   ?    82.557   40.192 0.000000 40.19155 
1 1 1  -82   22    5 o   84.428   41.487  7224.28  9867.33   0.0000   0.0000  7224.28  9867.33  ?   ?    84.428   41.487 0.000000 41.48690 
1 1 1  -82   22    6 o   79.005   39.516  5470.19 10593.53   0.0000   0.0000  5470.19 10593.53  ?   ?    79.005   39.516 0.000000 39.51558 
1 1 1  -82   22    7 o   55.552   28.489 -17228.4707  8415.72   0.0000   0.0000 -17228.4707  8415.72  ?   ?    55.552   28.489 0.000000 28.48860 
1 1 1  -82   22    8 o   76.629   39.075 16393.63 13857.61   0.0000   0.0000 16393.63 13857.61  ?   ?    76.629   39.075 0.000000 39.07468 
1 1 1  -82   22    9 o   71.664   36.946 24560.37 17467.87   0.0000   0.0000 24560.37 17467.87  ?   ?    71.664   36.946 0.000000 36.94650 
1 1 1  -82   22   10 o   65.036   33.750 25912.45 20288.22   0.0000   0.0000 25912.45 20288.22  ?   ?    65.036   33.750 0.000000 33.75014 
1 1 1  -82   22   11 o   54.798   28.502 -13270.7998 18694.20   0.0000   0.0000 -13270.7998 18694.20  ?   ?    54.798   28.502 0.000000 28.50178 
1 1 1  -82   24    1 o   89.771   42.155  9642.55  7811.52   0.0000   0.0000  9642.55  7811.52  ?   ?    89.771   42.155 0.000000 42.15470 
1 1 1  -82   24    2 o   91.828   42.625 10853.55  7618.49   0.0000   0.0000 10853.55  7618.49  ?   ?    91.828   42.625 0.000000 42.62548 
1 1 1  -82   24    3 o   78.218   37.977  5137.31  7576.27   0.0000   0.0000  5137.31  7576.27  ?   ?    78.218   37.977 0.000000 37.97660 
1 1 1  -82   24    4 f   74.175   37.226  3459.55  9788.07   0.0000   0.0000  3459.55  9788.07  ?   ?    74.175   37.226 0.000000 37.22574 
1 1 1  -82   24    5 o   64.679   32.946 -5420.3359  9641.42   0.0000   0.0000 -5420.3359  9641.42  ?   ?    64.679   32.946 0.000000 32.94632 
1 1 1  -82   24    6 o   69.250   35.374  3535.00 11790.28   0.0000   0.0000  3535.00 11790.28  ?   ?    69.250   35.374 0.000000 35.37445 
1 1 1  -82   24    7 o   57.737   29.747 -13928.3701 11020.18   0.0000   0.0000 -13928.3701 11020.18  ?   ?    57.737   29.747 0.000000 29.74689 
1 1 1  -82   24    8 o   68.269   35.245 27299.43 16940.91   0.0000   0.0000 27299.43 16940.91  ?   ?    68.269   35.245 0.000000 35.24459 
1 1 1  -82   24    9 f   61.963   32.151 23550.36 18192.62   0.0000   0.0000 23550.36 18192.62  ?   ?    61.963   32.151 0.000000 32.15142 
1 1 1  -82   26    1 o   49.726   25.368 -11657.5596  5894.20   0.0000   0.0000 -11657.5596  5894.20  ?   ?    49.726   25.368 0.000000 25.36769 
1 1 1  -82   26    2 o   52.442   26.794 -11734.0303  6796.45   0.0000   0.0000 -11734.0303  6796.45  ?   ?    52.442   26.794 0.000000 26.79411 
1 1 1  -82   26    3 f   66.343   33.667  1736.55  9402.41   0.0000   0.0000  1736.55  9402.41  ?   ?    66.343   33.667 0.000000 33.66711 
1 1 1  -82   26    4 o   72.063   36.817 15932.54 12818.51   0.0000   0.0000 15932.54 12818.51  ?   ?    72.063   36.817 0.000000 36.81728 
1 1 1  -81    1    1 o  229.023   19.133 22324.88  3525.44 21750.00  4908.32 22937.49  5066.90  220.404   28.063  226.316   28.184 -5.911835 39.77302 
1 1 1  -81    1    2 o   81.009   9.5285  2728.84  614.779  2934.37  638.439  108.889  2279.42   84.043   9.5239   59.832   25.798 24.21165 27.50016 
1 1 1  -81    1    3 o  143.289   8.7664  8445.90  1015.03  7591.52  1449.90  9267.12  1421.48  134.613   13.445  149.347   11.819 -14.73422 17.90108 
1 1 1  -81    1    4 o  168.676   8.8949 11703.16  1213.93 11329.00  1736.87 12060.47  1697.33  164.706   13.095  170.222   12.365 -5.516403 18.01052 
1 1 1  -81    1    5 o  238.152   11.880 23487.97  2297.31 23288.89  3270.69 23681.83  3227.51  234.001   17.337  236.217   16.940 -2.216415 24.23940 
1 1 1  -81    1    6 o  219.172   12.225 20010.00  2166.85 19012.23  2951.31 21176.82  3191.56  210.911   17.389  222.382   17.825 -11.47050 24.90178 
1 1 1  -81    1    7 o  111.886   9.0665  5185.69  816.583  4581.34  1183.74  5734.38  1127.92  103.505   14.482  116.833   12.063 -13.32839 18.84786 
1 1 1  -81    1    8 o  189.785   11.620 15048.99  1782.02 15379.87  2551.03 14733.65  2490.39  189.016   16.797  184.999   16.761 4.017136 23.72907 
1 1 1  -81    1    9 o  123.974   10.216  6418.90  1019.18  5946.85  1518.97  6805.43  1374.50  116.747   16.482  126.353   13.612 -9.605469 21.37654 
1 1 1  -81    1   10 o   25.041   11.129 -145.3032  453.520 -481.4433  702.556   94.836  593.817   28.517   13.133   32.009   13.459 -3.491590 18.80519 
1 1 1  -81    1   11 o  116.719   11.045  5763.90  1034.29  5986.43  1484.50  5553.98  1441.84  116.425   16.137  111.969   16.341 4.456383 22.96580 
1 1 1  -81    1   12 o  141.199   11.761  8506.10  1336.15  7541.59  1916.31  9418.65  1863.98  128.122   18.996  145.730   16.017 -17.60780 24.84721 
1 1 1  -81    1   13 o   31.664   13.286  127.770  576.669 -668.2787  981.660  547.228  712.583   32.872   15.273   40.250   15.482 -7.377800 21.74749 
1 1 1  -81    1   14 o   29.137   13.284 -326.9474  694.973 -1665.4091  1075.74  631.865  910.482   28.939   14.109   43.584   17.281 -14.64565 22.30906 
1 1 1  -81    1   15 o   33.291   14.733 -63.4253  786.706   18.507  1186.14 -127.7745  1051.19   40.502   17.999   37.343   16.744 3.159439 24.58298 
1 1 1  -81    1   16 o   66.448   18.465  2293.86  1032.02  3700.93  1474.34  942.095  1445.07   81.426   21.846   49.575   20.929 31.85143 30.25360 
1 1 1  -81    1   17 o   28.690   13.665 -743.9493  877.388  2516.53  1229.78 -4124.1860  1252.16   65.395   20.680   23.596   12.005 41.79891 23.91246 
1 1 1  -81    1   18 o   21.551   10.857 -2262.8640  875.502 -1690.1851  1220.20 -2870.5271  1256.91   29.006   14.318   25.938   13.060 3.068075 19.37926 
1 1 1  -81    1   19 o   36.539   16.665  359.764  1095.06  900.203  1566.97 -156.1182  1530.95   42.032   19.447   36.677   17.625 5.354202 26.24555 
1 1 1  -81    3    1 o   80.617   9.0499  2696.32  582.160  2647.60  601.391  3421.77  2320.63   79.795   9.4667   87.934   28.473 -8.138603 30.00519 
1 1 1  -81    3    2 f   29.592   10.616  305.766  324.258  344.184  326.955 -1994.1650  2529.74   30.614   10.690   52.062   24.298 -21.44811 26.54585 
1 1 1  -81    3    3 o  105.951   11.513  4685.71  974.528  4685.71  974.528   0.0000   0.0000  105.951   11.513  ?   ?  0.000000 11.51324 
1 1 1  -81    3    4 o  116.591   10.989  5655.59  1028.03  1134.67  3135.74  6200.02  1088.17   74.115   31.034  122.091   11.098 -47.97560 32.95896 
1 1 1  -81    3    5 o  111.043   8.2034  5081.49  734.409  4410.40  1121.83  5584.81  971.529  101.949   13.916  115.930   10.433 -13.98085 17.39214 
1 1 1  -81    3    6 o  209.093   10.452 18055.30  1774.48 19150.12  2574.96 17065.15  2448.77  212.978   14.986  200.926   15.121 12.05188 21.28855 
1 1 1  -81    3    7 o   97.165   9.0977  3920.42  709.411  3020.75  1150.84  4471.79  900.941   82.636   17.686  103.353   10.900 -20.71692 20.77499 
1 1 1  -81    3    8 o   95.089   9.5584  3771.03  727.999  3049.43  1174.90  4220.74  927.509   82.698   18.008  100.043   11.635 -17.34482 21.43962 
1 1 1  -81    3    9 o  123.788   10.266  6403.96  1022.56  5809.60  1584.93  6827.79  1338.38  114.788   17.564  126.699   13.204 -11.91030 21.97306 
1 1 1  -81    3   10 f  151.561   11.167  9659.74  1364.52  9722.70  2080.64  9612.22  1807.51  148.377   17.614  149.072   15.143 -0.6948700 23.22864 
1 1 1  -81    3   11 o  118.831   11.101  5978.50  1058.66  8787.45  1692.69  4173.82  1356.77  142.098   14.892   95.840   18.098 46.25797 23.43756 
1 1 1  -81    3   12 f   40.184   14.595  609.561  615.304 -819.3044  1026.58  1410.66  768.675   32.971   15.418   55.806   16.083 -22.83554 22.27992 
1 1 1  -81    3   13 o  125.547   11.816  6794.26  1190.34  5934.90  1836.28  7417.08  1563.27  110.548   21.229  128.839   15.239 -18.29063 26.13206 
1 1 1  -81    3   14 o   26.436   12.132 -341.8885  592.411  641.541  1048.12 -803.5396  718.120   45.243   18.334   25.931   12.354 19.31135 22.10792 
1 1 1  -81    3   15 o   55.117   16.414  1462.69  789.410  2418.79  1327.09  939.140  982.045   67.502   21.498   47.446   18.193 20.05618 28.16239 
1 1 1  -81    3   16 f   51.568   17.833  1324.61  908.805  1018.17  1379.46  1559.61  1208.02   49.696   20.677   54.869   20.363 -5.172688 29.02084 
1 1 1  -81    3   17 o   35.221   15.301  215.456  813.957 -58.3442  1471.53  336.158  977.034   40.793   18.864   38.494   16.743 2.299015 25.22274 
1 1 1  -81    3   18 o   44.593   18.609  1033.04  1122.16 -267.8857  1720.98  1995.24  1480.07   39.744   18.987   53.537   21.754 -13.79326 28.87488 
1 1 1  -81    3   19 o   27.633   13.614 -1257.9230  1085.97  365.206  1674.44 -2436.3279  1426.72   39.475   18.823   28.060   14.100 11.41410 23.51827 
1 1 1  -81    5    1 o  183.556   12.710 14010.61  1882.61 14446.93  2068.43 11904.22  4544.71  186.018   13.793  156.552   36.436 29.46556 38.95927 
1 1 1  -81    5    2 o  173.559   12.952 12552.63  1812.07 12166.79  1966.43 14724.80  4665.77  170.359   14.350  176.211   33.840 -5.852417 36.75679 
1 1 1  -81    5    3 o  165.396   12.339 11388.07  1645.10  9812.63  1755.72 22721.21  4709.01  152.796   14.319  225.462   26.212 -72.66577 29.86790 
1 1 1  -81    5    4 o   71.511   13.772  2198.06  770.639  2041.76  784.511  6500.73  4116.09   68.691   14.520  114.541   37.965 -45.85067 40.64648 
1 1 1  -81    5    5 o   69.512   8.0596  2006.61  446.459  1969.12  814.460  2022.71  533.805   67.211   15.271   69.446   9.7342 -2.234268 18.10978 
1 1 1  -81    5    6 o   48.592   10.635  1013.02  407.961  5163.36  3094.78  939.627  411.553  102.912   32.835   46.733   11.024 56.17875 34.63588 
1 1 1  -81    5    7 o  100.174   9.0045  4165.23  724.586  4207.16  1278.23  4145.37  879.555   98.227   16.619   99.379   11.089 -1.152031 19.97923 
1 1 1  -81    5    8 o  142.109   10.421  8418.84  1194.09  7064.81  1901.11  9301.07  1534.56  126.257   19.145  148.421   12.861 -22.16341 23.06358 
1 1 1  -81    5    9 o  188.486   12.152 14957.95  1849.84 13819.59  2832.46 15804.59  2442.73  175.757   20.216  191.413   15.860 -15.65608 25.69469 
1 1 1  -81    5   10 o  176.057   11.962 13096.54  1699.92 12226.24  2626.06 13724.26  2230.24  164.438   20.086  177.862   15.601 -13.42419 25.43254 
1 1 1  -81    5   11 o  302.364   17.409 40510.30  4256.00 41758.08  6199.71 39398.16  5853.04  291.654   26.468  284.874   25.577 6.779755 36.80647 
1 1 1  -81    5   12 o  170.935   12.271 12524.74  1691.80 11986.88  2585.92 12927.24  2236.98  160.165   20.343  170.248   16.385 -10.08337 26.12088 
1 1 1  -81    5   13 o  120.057   12.145  6249.13  1167.66  4025.99  1833.88  7764.93  1514.29   87.570   24.714  132.375   14.317 -44.80516 28.56096 
1 1 1  -81    5   14 o   54.905   15.535  1409.73  723.696  3221.41  1289.78  577.277  874.295   80.407   19.870   42.287   16.881 38.12067 26.07278 
1 1 1  -81    5   15 f   42.746   16.559  704.151  819.622 -297.5170  1466.68  1159.01  988.351   41.727   19.127   50.249   18.461 -8.522110 26.58251 
1 1 1  -81    5   16 o   48.790   17.185  1162.49  845.985  1852.97  1638.47  911.503  987.848   57.795   23.097   45.883   18.061 11.91198 29.32017 
1 1 1  -81    5   17 o   40.720   17.429  539.975  1026.07  1530.41  2102.09  230.184  1175.64   52.854   23.690   39.508   17.712 13.34536 29.57959 
1 1 1  -81    5   18 o   59.123   20.491  2336.67  1200.21  1147.57  2154.31  2871.85  1445.29   47.221   22.162   62.429   22.411 -15.20847 31.51873 
1 1 1  -81    5   19 o   49.163   19.755  1849.40  1205.87  2326.92  1891.19  1522.24  1565.37   48.686   22.087   44.875   20.250 3.810898 29.96477 
1 1 1  -81    7    1 o  232.577   33.454 25405.93  6135.78   0.0000   0.0000 25405.93  6135.78  ?   ?   232.577   33.454 0.000000 33.45393 
1 1 1  -81    7    2 o  121.590   36.859  7311.76  3954.57   0.0000   0.0000  7311.76  3954.57  ?   ?   121.590   36.859 0.000000 36.85872 
1 1 1  -81    7    3 o   73.440   31.865  464.835  3521.47   0.0000   0.0000  464.835  3521.47  ?   ?    73.440   31.865 0.000000 31.86485 
1 1 1  -81    7    4 o  132.947   12.881  7415.46  1373.03  6534.47  1435.14 16938.17  4718.32  124.183   14.506  189.012   31.878 -64.82906 35.02356 
1 1 1  -81    7    5 o  101.020   13.706  4336.88  1095.19  4035.31  1128.65  9198.18  4531.49   97.033   14.793  132.265   39.313 -35.23263 42.00417 
1 1 1  -81    7    6 o   57.926   9.4267  1417.10  428.128 -1141.7090  826.496  2355.49  500.512   27.085   12.998   75.277   8.3282 -48.19207 15.43712 
1 1 1  -81    7    7 o  236.055   15.500 23741.69  2954.44   0.0000   0.0000 23741.69  2954.44  ?   ?   236.055   15.500 0.000000 15.50044 
1 1 1  -81    7    8 o  211.217   12.744 18793.74  2175.38 18117.15  3337.52 19293.50  2868.39  201.562   20.686  211.189   16.868 -9.626648 26.69167 
1 1 1  -81    7    9 o  135.589   10.349  7694.03  1130.79  7280.74  1897.88  7921.49  1407.99  127.610   18.887  136.505   12.855 -8.894669 22.84647 
1 1 1  -81    7   10 o  135.775   10.551  7749.96  1154.02  7069.55  1921.98  8133.55  1443.10  124.607   19.647  137.894   13.044 -13.28686 23.58285 
1 1 1  -81    7   11 o   91.815   10.487  3579.27  767.806  3111.76  1417.03  3773.58  913.532   80.578   21.326   93.551   12.327 -12.97376 24.63180 
1 1 1  -81    7   12 o   70.868   12.845  2214.60  711.909  1506.56  1309.40  2511.72  848.231   58.538   21.287   74.849   14.481 -16.31135 25.74549 
1 1 1  -81    7   13 o   57.111   15.219  1505.13  718.491  2677.27  1072.82  551.791  967.521   75.012   17.869   43.520   17.622 31.49197 25.09661 
1 1 1  -81    7   14 o   22.326   10.778 -833.5302  588.422  169.259  1045.81 -1298.0280  711.774   40.081   17.378   22.803   11.192 17.27770 20.67027 
1 1 1  -81    7   15 o   33.634   14.309  169.267  684.112 -211.9511  1100.92  409.068  873.157   37.086   16.835   39.444   16.434 -2.358536 23.52639 
1 1 1  -81    7   16 o   26.430   12.354 -450.3442  657.817  1023.59  1327.30 -930.2567  757.375   48.658   20.267   25.375   12.245 23.28212 23.67862 
1 1 1  -81    7   17 o   53.778   17.614  1603.41  886.973  988.323  1654.19  1851.61  1050.80   47.559   21.188   56.275   19.186 -8.716091 28.58348 
1 1 1  -81    7   18 o   30.383   14.332 -385.1403  921.100  1357.98  1567.20 -1305.0360  1138.49   46.732   20.732   28.843   14.156 17.88983 25.10399 
1 1 1  -81    9    1 o  173.869   36.602 14880.08  5003.87   0.0000   0.0000 14880.08  5003.87  ?   ?   173.869   36.602 0.000000 36.60181 
1 1 1  -81    9    2 o  140.023   39.649 10125.37  4712.13   0.0000   0.0000 10125.37  4712.13  ?   ?   140.023   39.649 0.000000 39.64935 
1 1 1  -81    9    3 o  242.333   41.167 30164.00  7810.49   0.0000   0.0000 30164.00  7810.49  ?   ?   242.333   41.167 0.000000 41.16705 
1 1 1  -81    9    4 o  107.971   42.181  5599.97  5353.52   0.0000   0.0000  5599.97  5353.52  ?   ?   107.971   42.181 0.000000 42.18083 
1 1 1  -81    9    5 o   81.903   16.276  2935.00  1044.24  2734.39  1070.71  6841.85  4725.13   78.702   17.233  113.923   40.562 -35.22079 44.07090 
1 1 1  -81    9    6 o   72.656   16.038  2324.85  920.849  2403.36  935.216 -171.7375  5273.73   73.892   16.047   80.770   36.734 -6.877647 40.08634 
1 1 1  -81    9    7 o  161.635   11.584 10947.82  1510.29  6519.79  2482.61 13549.34  1902.91  116.637   26.780  179.108   13.177 -62.47141 29.84617 
1 1 1  -81    9    8 o  202.057   16.354 17669.44  2660.04   0.0000   0.0000 17669.44  2660.04  ?   ?   202.057   16.354 0.000000 16.35374 
1 1 1  -81    9    9 o   95.624   9.6074  3834.34  735.859  2858.09  1423.68  4190.24  859.585   78.005   21.691   99.599   10.802 -21.59386 24.23208 
1 1 1  -81    9   10 o  143.732   10.900  8718.32  1262.59  7108.97  2126.73  9594.27  1569.02  122.753   22.153  149.619   13.046 -26.86622 25.70854 
1 1 1  -81    9   11 o   95.174   10.730  3859.68  814.699  1916.52  1532.54  4625.13  961.871   64.671   23.092  103.888   11.601 -39.21703 25.84260 
1 1 1  -81    9   12 o  105.389   11.305  4776.76  952.299  2827.52  1738.44  5612.44  1138.27   74.218   24.676  113.612   12.549 -39.39388 27.68354 
1 1 1  -81    9   13 o   82.358   12.767  3010.59  826.135  1891.31  1608.10  3411.91  962.917   62.520   23.437   86.992   14.116 -24.47254 27.35971 
1 1 1  -81    9   14 o   38.535   14.749  543.062  644.780 -514.0334  1435.36  810.298  721.694   40.317   18.639   43.674   15.816 -3.356812 24.44514 
1 1 1  -81    9   15 o   43.936   16.932  806.485  853.608  1104.60  1410.94  634.370  1072.06   50.948   21.031   43.846   18.234 7.102425 27.83500 
1 1 1  -81    9   16 o   41.799   17.104  676.916  923.070  267.390  1538.08  907.445  1153.99   43.704   19.862   45.932   18.995 -2.228329 27.48252 
1 1 1  -81    9   17 f   46.544   16.981  1169.12  834.220  2148.61  1666.60  841.659  963.629   55.135   22.816   42.486   17.441 12.64859 28.71840 
1 1 1  -81    9   18 o   44.831   18.154  1232.70  1026.90 -794.1616  1829.71  2164.70  1240.73   36.784   18.033   54.226   20.530 -17.44148 27.32509 
1 1 1  -81   11    1 o  246.826   38.343 30485.81  7435.22   0.0000   0.0000 30485.81  7435.22  ?   ?   246.826   38.343 0.000000 38.34344 
1 1 1  -81   11    2 o  158.629   40.028 13185.77  5155.62   0.0000   0.0000 13185.77  5155.62  ?   ?   158.629   40.028 0.000000 40.02762 
1 1 1  -81   11    3 o  153.232   44.974 13284.02  5961.67   0.0000   0.0000 13284.02  5961.67  ?   ?   153.232   44.974 0.000000 44.97370 
1 1 1  -81   11    4 o   97.120   39.755  3922.12  4988.89   0.0000   0.0000  3922.12  4988.89  ?   ?    97.120   39.755 0.000000 39.75461 
1 1 1  -81   11    5 o  126.165   47.733  9741.15  6704.07   0.0000   0.0000  9741.15  6704.07  ?   ?   126.165   47.733 0.000000 47.73302 
1 1 1  -81   11    6 o  167.580   54.572 20016.18  8518.76   0.0000   0.0000 20016.18  8518.76  ?   ?   167.580   54.572 0.000000 54.57201 
1 1 1  -81   11    7 o  115.182   19.890  5980.58  1792.93  5210.77  1848.41 18228.97  7373.04  106.111   22.168  163.434   50.478 -57.32294 55.13136 
1 1 1  -81   11    8 o   54.481   9.2916  1262.76  396.286  1741.86  1010.66  1175.72  430.783   62.217   18.583   52.230   10.522 9.986813 21.35459 
1 1 1  -81   11    9 o   60.759   11.081  1593.08  526.531  1337.54  1185.22  1655.92  587.709   56.698   20.301   61.644   12.174 -4.945919 23.67145 
1 1 1  -81   11   10 o   19.047   8.8036 -248.7289  319.901 -1907.3230  1015.32 -65.9295  337.069   27.111   13.319   22.241   9.7502 4.869635 16.50649 
1 1 1  -81   11   11 o   94.951   10.630  3850.78  805.500  3081.63  1694.79  4075.23  915.514   77.874   24.226   97.144   11.853 -19.26915 26.96984 
1 1 1  -81   11   12 o  121.271   11.541  6352.77  1122.73  3469.69  2082.98  7533.37  1332.93   79.303   27.013  131.367   12.653 -52.06424 29.82925 
1 1 1  -81   11   13 o   42.676   15.069  771.120  650.862  291.000  1427.26  897.179  731.331   46.034   20.125   45.447   15.981 0.5866394 25.69837 
1 1 1  -81   11   14 o   86.453   13.234  3406.46  899.438  3849.74  1871.03  3273.23  1025.73   80.087   25.528   82.854   15.824 -2.767395 30.03460 
1 1 1  -81   11   15 o   40.143   16.123  590.319  802.822 -152.0873  1695.56  804.854  911.468   43.566   20.183   43.888   17.326 -0.3218346 26.59906 
1 1 1  -81   11   16 o   34.571   14.979  225.406  775.937 -1492.6550  1589.69  762.747  889.035   35.111   17.125   41.987   16.931 -6.876278 24.08138 
1 1 1  -81   11   17 o   33.921   15.207  142.289  866.675  1803.93  2014.33 -235.1940  960.084   50.365   22.827   32.217   15.014 18.14843 27.32185 
1 1 1  -81   11   18 o   67.179   10.335  2159.65  545.689 -585.5722  2121.85  2354.08  564.682   37.844   18.718   70.318   10.187 -32.47314 21.31001 
1 1 1  -81   13    1 o  186.746   39.877 18258.85  5862.81   0.0000   0.0000 18258.85  5862.81  ?   ?   186.746   39.877 0.000000 39.87727 
1 1 1  -81   13    2 o   76.497   33.107  964.278  3782.07   0.0000   0.0000  964.278  3782.07  ?   ?    76.497   33.107 0.000000 33.10702 
1 1 1  -81   13    3 o   88.596   37.223  2658.17  4535.80   0.0000   0.0000  2658.17  4535.80  ?   ?    88.596   37.223 0.000000 37.22334 
1 1 1  -81   13    4 o  131.843   46.985 10782.59  6341.30   0.0000   0.0000 10782.59  6341.30  ?   ?   131.843   46.985 0.000000 46.98459 
1 1 1  -81   13    5 o  110.752   44.980  6997.13  6323.78   0.0000   0.0000  6997.13  6323.78  ?   ?   110.752   44.980 0.000000 44.97998 
1 1 1  -81   13    6 o   58.723   29.289 -10559.2803  5643.08   0.0000   0.0000 -10559.2803  5643.08  ?   ?    58.723   29.289 0.000000 29.28871 
1 1 1  -81   13    7 o   17.021   8.0062 -299.5038  283.811 -273.1717  283.989 -21250.3906  8010.50   17.346   8.1107   60.309   30.653 -42.96328 31.70741 
1 1 1  -81   13    8 o   44.860   18.884  304.613  1171.04  177.085  1182.66  6698.20  8373.95   43.842   18.737  102.344   46.447 -58.50243 50.08381 
1 1 1  -81   13    9 o   29.373   10.949  285.888  349.957   0.0000   0.0000  285.888  349.957  ?   ?    29.373   10.949 0.000000 10.94854 
1 1 1  -81   13   10 o   72.867   11.192  2294.39  640.980  3871.30  1773.64  2057.50  687.442   87.403   24.177   68.287   12.870 19.11658 27.38947 
1 1 1  -81   13   11 o  105.977   11.316  4840.05  958.710  3811.26  2149.48  5095.53  1071.16   83.110   27.429  108.141   12.425 -25.03092 30.11222 
1 1 1  -81   13   12 o   51.384   14.268  1213.65  616.469  1340.96  1631.35  1192.44  665.841   56.953   22.945   50.853   15.059 6.099209 27.44547 
1 1 1  -81   13   13 f   22.758   10.437 -255.9780  437.363 -1779.6410  1573.16 -128.3454  455.314   36.025   17.447   24.796   11.076 11.22812 20.66600 
1 1 1  -81   13   14 o   26.747   11.885 -87.2987  517.159 -3282.8850  1743.76  220.887  541.523   32.788   16.342   31.417   13.004 1.371342 20.88423 
1 1 1  -81   13   15 o   36.098   14.570  449.501  659.070 -1170.4980  1986.82  649.805  698.628   40.814   19.728   39.467   15.288 1.347149 24.95806 
1 1 1  -81   13   16 o   48.071   11.292  1099.93  433.244  553.125  1984.32  1127.31  443.955   45.624   21.367   48.589   11.442 -2.965496 24.23776 
1 1 1  -81   13   17 o  128.783   10.371  7748.70  1075.24  3869.57  3036.20  8304.98  1149.76   53.786   25.562  132.678   10.765 -78.89212 27.73624 
1 1 1  -81   15    1 o  227.783   42.905 28585.17  7644.20   0.0000   0.0000 28585.17  7644.20  ?   ?   227.783   42.905 0.000000 42.90468 
1 1 1  -81   15    2 o   59.633   28.293 -2954.5591  3689.19   0.0000   0.0000 -2954.5591  3689.19  ?   ?    59.633   28.293 0.000000 28.29272 
1 1 1  -81   15    3 o  191.957   49.367 23113.05  7737.92   0.0000   0.0000 23113.05  7737.92  ?   ?   191.957   49.367 0.000000 49.36718 
1 1 1  -81   15    4 o  245.515   58.532 43230.28 11503.61   0.0000   0.0000 43230.28 11503.61  ?   ?   245.515   58.532 0.000000 58.53167 
1 1 1  -81   15    5 o   94.748   42.261  3471.77  6602.18   0.0000   0.0000  3471.77  6602.18  ?   ?    94.748   42.261 0.000000 42.26069 
1 1 1  -81   15    6 o   78.285   37.722 -3173.4580  7127.58   0.0000   0.0000 -3173.4580  7127.58  ?   ?    78.285   37.722 0.000000 37.72195 
1 1 1  -81   15    7 o  105.585   47.433  8102.30  8477.36   0.0000   0.0000  8102.30  8477.36  ?   ?   105.585   47.433 0.000000 47.43292 
1 1 1  -81   15    8 o   55.834   23.646  691.207  1854.01  405.186  1892.30  7545.04  9263.13   54.158   23.428  100.155   46.661 -45.99652 52.21240 
1 1 1  -81   15    9 o  161.733   13.979 11407.42  1817.71  3953.44  3556.24 14043.52  2114.84   84.128   33.883  178.923   14.687 -94.79428 36.92916 
1 1 1  -81   15   10 f   42.856   12.660  810.167  471.055  572.064  1633.73  831.757  491.948   51.529   22.022   43.410   12.965 8.118233 25.55446 
1 1 1  -81   15   11 o   50.326   13.574  1153.87  567.392  1628.83  1997.42  1112.18  591.769   61.437   25.152   49.370   14.076 12.06719 28.82306 
1 1 1  -81   15   12 o  109.184   12.849  5323.87  1117.34 -990.8112  2682.70  6649.20  1229.02   50.673   24.067  122.384   12.545 -71.71025 27.14002 
1 1 1  -81   15   13 o   66.447   13.040  2039.80  678.437  3970.91  2277.20  1851.70  710.711   76.564   28.037   62.489   14.315 14.07587 31.48031 
1 1 1  -81   15   14 o   47.268   10.061  1010.64  374.292  6579.54  2353.41  866.125  379.118   96.688   28.222   43.416   10.799 53.27153 30.21783 
1 1 1  -81   15   15 o   30.892   10.891  407.000  339.820 -669.2269  2494.44  427.352  343.018   44.521   21.656   31.431   10.951 13.09014 24.26781 
1 1 1  -81   15   16 o   27.031   10.933  226.536  371.948  544.184  2741.41  220.579  375.419   45.812   22.376   26.984   10.959 18.82793 24.91594 
1 1 1  -81   17    1 o   79.650   34.900  1397.09  4314.12   0.0000   0.0000  1397.09  4314.12  ?   ?    79.650   34.900 0.000000 34.90034 
1 1 1  -81   17    2 o   80.451   35.694  1275.91  4646.58   0.0000   0.0000  1275.91  4646.58  ?   ?    80.451   35.694 0.000000 35.69350 
1 1 1  -81   17    3 o   66.077   31.632 -3448.5920  4829.00   0.0000   0.0000 -3448.5920  4829.00  ?   ?    66.077   31.632 0.000000 31.63234 
1 1 1  -81   17    4 o   88.492   40.279  2142.99  6357.12   0.0000   0.0000  2142.99  6357.12  ?   ?    88.492   40.279 0.000000 40.27918 
1 1 1  -81   17    5 o  115.744   49.424 10845.91  8217.25   0.0000   0.0000 10845.91  8217.25  ?   ?   115.744   49.424 0.000000 49.42447 
1 1 1  -81   17    6 o  120.937   51.695 14142.36  9006.02   0.0000   0.0000 14142.36  9006.02  ?   ?   120.937   51.695 0.000000 51.69464 
1 1 1  -81   17    7 o  104.939   48.133 10266.38  9308.10   0.0000   0.0000 10266.38  9308.10  ?   ?   104.939   48.133 0.000000 48.13275 
1 1 1  -81   17    8 o  115.969   54.149 22520.78 12585.36   0.0000   0.0000 22520.78 12585.36  ?   ?   115.969   54.149 0.000000 54.14895 
1 1 1  -81   17    9 o   48.841   22.513 -593.5801  2071.07 -1049.5780  2108.45 11926.13 11047.88   47.100   22.048   95.593   46.282 -48.49302 51.26525 
1 1 1  -81   17   10 o   35.918   11.639  548.524  387.748  2380.77  2205.03  490.060  393.886   68.034   26.919   34.559   11.747 33.47445 29.37059 
1 1 1  -81   17   11 o   69.181   10.978  2109.32  596.062  1347.05  2373.15  2160.65  615.802   59.564   25.997   69.913   11.228 -10.34887 28.31843 
1 1 1  -81   17   12 o   56.775   12.587  1486.46  565.017  883.957  2303.08  1525.04  582.829   54.705   24.636   57.403   12.827 -2.698570 27.77507 
1 1 1  -81   17   13 o   64.102   8.3938  1783.39  426.387  608.326  2512.92  1818.23  432.661   52.129   24.292   64.714   8.4345 -12.58537 25.71452 
1 1 1  -81   17   14 o   64.225   8.6663  1818.08  440.397  2218.34  2806.78  1807.97  445.920   56.354   26.058   63.957   8.8216 -7.602604 27.51029 
1 1 1  -81   17   15 o   27.485   11.267  213.129  401.514  2995.22  3110.64  165.991  404.901   54.383   25.853   26.743   11.171 27.63916 28.16373 
1 1 1  -81   19    1 o   94.745   39.968  4641.33  5263.79   0.0000   0.0000  4641.33  5263.79  ?   ?    94.745   39.968 0.000000 39.96841 
1 1 1  -81   19    2 o  134.117   46.369 12745.18  6144.36   0.0000   0.0000 12745.18  6144.36  ?   ?   134.117   46.369 0.000000 46.36940 
1 1 1  -81   19    3 o  108.140   45.922  8469.52  7022.60   0.0000   0.0000  8469.52  7022.60  ?   ?   108.140   45.922 0.000000 45.92159 
1 1 1  -81   19    4 o  118.471   49.993 12735.20  8239.58   0.0000   0.0000 12735.20  8239.58  ?   ?   118.471   49.993 0.000000 49.99315 
1 1 1  -81   19    5 o   97.817   44.713  6801.45  7938.99   0.0000   0.0000  6801.45  7938.99  ?   ?    97.817   44.713 0.000000 44.71265 
1 1 1  -81   19    6 o   61.842   30.931 -9112.4551  6489.94   0.0000   0.0000 -9112.4551  6489.94  ?   ?    61.842   30.931 0.000000 30.93058 
1 1 1  -81   19    7 f   85.370   41.325  3500.69  8798.53   0.0000   0.0000  3500.69  8798.53  ?   ?    85.370   41.325 0.000000 41.32510 
1 1 1  -81   19    8 f   64.141   32.559 -12685.6797  8836.53   0.0000   0.0000 -12685.6797  8836.53  ?   ?    64.141   32.559 0.000000 32.55891 
1 1 1  -81   19    9 o   58.544   26.768  423.795  2847.76 -366.4278  2924.60 14873.40 12506.02   55.766   26.060   88.871   44.208 -33.10484 51.31748 
1 1 1  -81   19   11 o   60.328   11.338  1641.42  534.971  3752.53  3050.13  1574.41  543.395   71.306   30.271   58.830   11.786 12.47601 32.48487 
1 1 1  -81   19   12 o   25.133   10.664   70.809  378.213 -6240.7710  2977.53  174.314  381.301   38.216   19.345   27.017   11.017 11.19935 22.26171 
1 1 1  -81   19   13 o   96.931   8.0764  4070.04  629.864  2971.12  3716.67  4102.54  639.108   58.742   28.019   97.248   8.1695 -38.50674 29.18573 
1 1 1  -81   19   14 o  104.729   12.565  5290.47  1047.12  3757.57  4070.87  5399.07  1083.58   55.390   27.099  105.314   12.944 -49.92382 30.03203 
1 1 1  -81   21    1 o  118.086   47.151 11706.00  6821.89   0.0000   0.0000 11706.00  6821.89  ?   ?   118.086   47.151 0.000000 47.15052 
1 1 1  -81   21    2 o  117.588   48.332 12608.16  7412.06   0.0000   0.0000 12608.16  7412.06  ?   ?   117.588   48.332 0.000000 48.33216 
1 1 1  -81   21    3 o   70.308   34.268 -3295.1550  6332.87   0.0000   0.0000 -3295.1550  6332.87  ?   ?    70.308   34.268 0.000000 34.26771 
1 1 1  -81   21    4 o   86.992   41.223  3881.59  7785.77   0.0000   0.0000  3881.59  7785.77  ?   ?    86.992   41.223 0.000000 41.22345 
1 1 1  -81   21    5 o  102.614   47.787 13236.28  9700.29   0.0000   0.0000 13236.28  9700.29  ?   ?   102.614   47.787 0.000000 47.78748 
1 1 1  -81   21    6 o   80.800   39.777  2298.23  9207.54   0.0000   0.0000  2298.23  9207.54  ?   ?    80.800   39.777 0.000000 39.77687 
1 1 1  -81   21    7 o   90.861   44.536 13388.57 11149.18   0.0000   0.0000 13388.57 11149.18  ?   ?    90.861   44.536 0.000000 44.53632 
1 1 1  -81   21    8 o   74.751   37.731  2023.94 10858.33   0.0000   0.0000  2023.94 10858.33  ?   ?    74.751   37.731 0.000000 37.73103 
1 1 1  -81   21    9 o   82.481   36.609  6971.39  4893.04  6609.03  5194.30  9826.13 14579.55   80.099   36.440   74.887   38.339 5.211952 52.89347 
1 1 1  -81   21   10 o   67.604   34.885  4606.34 16246.92   0.0000   0.0000  4606.34 16246.92  ?   ?    67.604   34.885 0.000000 34.88468 
1 1 1  -81   21   11 o   18.715   7.9138   27.718  207.150  4711.29  4006.46   15.164  207.427   67.636   31.224   18.447   7.8642 49.18863 32.19931 
1 1 1  -81   21   12 o   49.542   24.774 -1297.5649  4154.99 -1297.5649  4154.99   0.0000   0.0000   49.542   24.774  ?   ?  0.000000 24.77440 
1 1 1  -81   21   13 o   61.869   12.678  1881.66  615.461 -768.8510  4114.80  1942.32  622.463   47.126   23.716   62.934   12.620 -15.80772 26.86487 
1 1 1  -81   23    1 o   71.105   34.260 -749.5132  5876.90   0.0000   0.0000 -749.5132  5876.90  ?   ?    71.105   34.260 0.000000 34.25976 
1 1 1  -81   23    2 o   90.375   42.073  7093.26  7508.41   0.0000   0.0000  7093.26  7508.41  ?   ?    90.375   42.073 0.000000 42.07290 
1 1 1  -81   23    3 o   85.654   41.252  5832.78  8499.55   0.0000   0.0000  5832.78  8499.55  ?   ?    85.654   41.252 0.000000 41.25224 
1 1 1  -81   23    4 o   86.853   42.198  8129.87  9396.22   0.0000   0.0000  8129.87  9396.22  ?   ?    86.853   42.198 0.000000 42.19768 
1 1 1  -81   23    5 o  107.673   51.835 33279.90 13385.94   0.0000   0.0000 33279.90 13385.94  ?   ?   107.673   51.835 0.000000 51.83516 
1 1 1  -81   23    6 o   68.980   34.530 -1182.9830  8167.83   0.0000   0.0000 -1182.9830  8167.83  ?   ?    68.980   34.530 0.000000 34.53030 
1 1 1  -81   23    7 o   67.634   34.475 -2782.9089 10703.21   0.0000   0.0000 -2782.9089 10703.21  ?   ?    67.634   34.475 0.000000 34.47482 
1 1 1  -81   23    8 o   68.467   35.098  3510.27 12643.59   0.0000   0.0000  3510.27 12643.59  ?   ?    68.467   35.098 0.000000 35.09820 
1 1 1  -81   23    9 o   65.707   33.906  7969.15 15337.38   0.0000   0.0000  7969.15 15337.38  ?   ?    65.707   33.906 0.000000 33.90574 
1 1 1  -81   23   10 o   59.885   31.096  2730.19 18207.47   0.0000   0.0000  2730.19 18207.47  ?   ?    59.885   31.096 0.000000 31.09618 
1 1 1  -81   23   11 o   54.968   28.604 -1689.4910 20529.85   0.0000   0.0000 -1689.4910 20529.85  ?   ?    54.968   28.604 0.000000 28.60442 
1 1 1  -81   25    1 o   78.445   37.954  4983.29  7398.23   0.0000   0.0000  4983.29  7398.23  ?   ?    78.445   37.954 0.000000 37.95384 
1 1 1  -81   25    2 o   69.432   34.486 -267.1025  7496.39   0.0000   0.0000 -267.1025  7496.39  ?   ?    69.432   34.486 0.000000 34.48594 
1 1 1  -81   25    3 o   71.295   35.670  1254.30  8661.88   0.0000   0.0000  1254.30  8661.88  ?   ?    71.295   35.670 0.000000 35.67011 
1 1 1  -81   25    4 o   78.967   39.634 11556.93 11106.54   0.0000   0.0000 11556.93 11106.54  ?   ?    78.967   39.634 0.000000 39.63382 
1 1 1  -81   25    5 o   67.258   34.288 -456.5397 10615.61   0.0000   0.0000 -456.5397 10615.61  ?   ?    67.258   34.288 0.000000 34.28796 
1 1 1  -81   25    6 o   70.386   35.758  8258.75 10814.89   0.0000   0.0000  8258.75 10814.89  ?   ?    70.386   35.758 0.000000 35.75831 
1 1 1  -81   25    7 o   70.479   36.301 25526.98 16217.35   0.0000   0.0000 25526.98 16217.35  ?   ?    70.479   36.301 0.000000 36.30054 
1 1 1  -81   25    8 o   62.459   32.289 10894.83 15350.64   0.0000   0.0000 10894.83 15350.64  ?   ?    62.459   32.289 0.000000 32.28910 
1 1 1  -80    0    1 o  147.203   29.918 10212.50  3164.80   0.0000   0.0000 10212.50  3164.80  147.203   29.918  147.203   29.918 -0.000000 0.000000 
1 1 1  -80    0    2 o   19.719   10.675  224.834  239.217  224.834  239.217   0.0000   0.0000   19.719   10.675   19.719   10.675 0.000000 0.000000 
1 1 1  -80    0    3 o   60.306   10.601  1615.17  471.177  1615.17  471.177   0.0000   0.0000   60.306   10.601   60.306   10.601 0.000000 0.000000 
1 1 1  -80    0    4 o   29.623   13.531  522.883  354.144  522.883  354.144   0.0000   0.0000   29.623   13.531   29.623   13.531 0.000000 0.000000 
1 1 1  -80    0    5 o  268.746   18.860 30425.97  4068.84   0.0000   0.0000 30425.97  4068.84  268.746   18.860  268.746   18.860 -0.000000 0.000000 
1 1 1  -80    0    6 o  238.290   16.305 23784.98  3120.75   0.0000   0.0000 23784.98  3120.75  238.290   16.305  238.290   16.305 -0.000000 0.000000 
1 1 1  -80    0    7 o   21.672   13.316  157.015  453.194  157.015  453.194   0.0000   0.0000   21.672   13.316   21.672   13.316 0.000000 0.000000 
1 1 1  -80    0    8 o   25.397   14.914  312.734  519.409  312.734  519.409   0.0000   0.0000   25.397   14.914   25.397   14.914 0.000000 0.000000 
1 1 1  -80    0    9 o   76.482   17.019  2741.48  923.534   0.0000   0.0000  2741.48  923.534   76.482   17.019   76.482   17.019 -0.000000 0.000000 
1 1 1  -80    0   10 o  140.555   16.429  8520.85  1807.98  8520.85  1807.98   0.0000   0.0000  140.555   16.429  140.555   16.429 0.000000 0.000000 
1 1 1  -80    0   11 o   30.915   18.540  430.900  834.330  430.900  834.330   0.0000   0.0000   30.915   18.540   30.915   18.540 0.000000 0.000000 
1 1 1  -80    0   12 o  123.470   17.230  6713.46  1631.08   0.0000   0.0000  6713.46  1631.08  123.470   17.230  123.470   17.230 -0.000000 0.000000 
1 1 1  -80    0   13 o   27.921   17.861  102.271  908.035  102.271  908.035   0.0000   0.0000   27.921   17.861   27.921   17.861 0.000000 0.000000 
1 1 1  -80    0   14 o  145.298   18.825  9359.56  2118.14  9359.56  2118.14   0.0000   0.0000  145.298   18.825  145.298   18.825 0.000000 0.000000 
1 1 1  -80    0   15 o   51.489   24.214  1696.84  1138.60   0.0000   0.0000  1696.84  1138.60   51.489   24.214   51.489   24.214 -0.000000 0.000000 
1 1 1  -80    0   16 o   48.803   25.923  1598.34  1385.84   0.0000   0.0000  1598.34  1385.84   48.803   25.923   48.803   25.923 -0.000000 0.000000 
1 1 1  -80    0   17 o   24.099   16.854 -1053.1851  1223.30 -1053.1851  1223.30   0.0000   0.0000   24.099   16.854   24.099   16.854 0.000000 0.000000 
1 1 1  -80    0   18 o   33.561   21.720  244.105  1394.33  244.105  1394.33   0.0000   0.0000   33.561   21.720   33.561   21.720 0.000000 0.000000 
1 1 1  -80    0   19 o   19.354   13.892 -1526.2180  1040.86   0.0000   0.0000 -1526.2180  1040.86   19.354   13.892   19.354   13.892 -0.000000 0.000000 
1 1 1  -80    2    1 f  182.252   11.303 13723.12  1664.35 13416.83  1838.69 15112.27  3915.82  179.798   12.676  184.295   26.966 -4.497345 29.79645 
1 1 1  -80    2    2 o  186.780   12.257 14461.73  1848.65 14081.48  2040.55 16202.84  4366.42  183.801   13.773  189.209   29.374 -5.407684 32.44264 
1 1 1  -80    2    3 o  143.765   22.590  9067.64  2550.02  7804.60  3472.72 10545.55  3756.51  128.240   33.119  150.292   31.776 -22.05226 45.89811 
1 1 1  -80    2    4 o  262.531   12.586 28536.44  2682.98 27761.15  3815.05 29295.09  3773.89  255.485   18.516  262.938   17.781 -7.453369 25.67138 
1 1 1  -80    2    5 o   80.851   7.7227  2698.94  500.816  2365.40  770.365  2943.10  659.101   74.419   13.234   84.045   9.8448 -9.626366 16.49411 
1 1 1  -80    2    6 o  288.761   15.649 35158.32  3655.48 33274.04  5247.16 36935.20  5095.44  274.350   23.790  291.085   21.715 -16.73471 32.21069 
1 1 1  -80    2    7 o   21.967   9.4541 -22.3821  304.964 -32.2353  538.459 -17.7290  370.033   29.121   12.548   24.311   10.437 4.810415 16.32120 
1 1 1  -80    2    8 o  102.727   9.4099  4387.16  776.167  4358.77  1177.30  4408.98  1032.28  100.690   14.845  102.010   12.741 -1.320427 19.56287 
1 1 1  -80    2    9 o  154.396   10.741  9948.86  1338.11  9633.54  1963.76 10222.16  1828.26  149.225   16.482  154.697   14.733 -5.471497 22.10732 
1 1 1  -80    2   10 o   98.315   10.317  4061.19  811.352  4190.40  1229.94  3961.64  1079.56   97.667   16.068   95.632   14.345 2.034889 21.54036 
1 1 1  -80    2   11 o  116.043   10.763  5678.28  1002.57  6404.87  1496.91  5087.19  1350.13  120.956   15.606  107.442   15.961 13.51434 22.32254 
1 1 1  -80    2   12 o   36.271   14.775  281.656  684.888  2884.58  1124.55 -1253.0770  863.507   79.140   17.917   26.979   13.032 52.16090 22.15547 
1 1 1  -80    2   13 o   40.900   15.575  579.968  716.729 -849.5181  1084.13  1689.82  955.268   33.753   15.803   60.262   18.082 -26.50866 24.01426 
1 1 1  -80    2   14 o   22.326   10.866 -1029.6470  630.262 -1414.8781  1009.04 -783.2001  807.065   28.884   13.985   28.222   13.344 0.6617966 19.32952 
1 1 1  -80    2   15 o   79.470   15.732  2963.53  979.195  2741.46  1464.51  3143.06  1316.81   71.616   22.560   78.356   20.472 -6.740387 30.46345 
1 1 1  -80    2   16 o  189.807   14.192 16587.28  2171.45 34453.93  3176.07  905.710  2975.52  273.418   14.356   57.583   26.697 215.8345 30.31272 
1 1 1  -80    2   17 o   62.541   19.181  2160.46  1066.71  2745.69  1525.56  1600.61  1492.12   66.153   23.092   54.070   21.888 12.08292 31.81672 
1 1 1  -80    2   18 o   61.885   20.293  2391.80  1177.21  4931.30  1703.58   70.896  1628.61   85.236   23.737   41.404   19.380 43.83175 30.64370 
1 1 1  -80    2   19 o   30.520   14.732 -720.1188  1098.58 -714.5976  1664.86 -724.3770  1462.08   35.954   17.534   34.305   16.662 1.649250 24.18803 
1 1 1  -80    4    1 o  118.234   11.127  5802.88  1055.61  5802.88  1055.61   0.0000   0.0000  118.234   11.127  ?   ?  0.000000 11.12652 
1 1 1  -80    4    2 o  200.509   15.246 16850.90  2463.57 16850.90  2463.57   0.0000   0.0000  200.509   15.246  ?   ?  0.000000 15.24610 
1 1 1  -80    4    3 o   87.094   12.271  3193.79  843.704  3193.79  843.704   0.0000   0.0000   87.094   12.271  ?   ?  0.000000 12.27071 
1 1 1  -80    4    4 o   47.108   13.715  941.857  556.419  903.568  562.944  2564.84  3665.08   46.316   13.877   86.740   34.583 -40.42329 37.26364 
1 1 1  -80    4    5 o   73.224   9.5403  2239.88  553.751 -2193.4170  2668.33  2439.40  566.075   52.698   24.711   76.515   9.3029 -23.81717 26.40420 
1 1 1  -80    4    6 o  209.856   12.098 18330.64  2052.64 16545.24  3178.81 19607.47  2688.21  194.996   20.378  215.410   15.473 -20.41333 25.58644 
1 1 1  -80    4    7 o   71.443   9.2332  2134.83  523.080  1263.66  970.088  2491.95  621.108   55.292   18.436   77.053   10.177 -21.76038 21.05789 
1 1 1  -80    4    8 o  159.869   10.803 10645.47  1394.06  9765.57  2144.76 11289.15  1834.42  149.789   17.994  163.294   13.970 -13.50490 22.78063 
1 1 1  -80    4    9 o  126.738   10.275  6705.32  1048.30  4942.17  1696.45  7794.44  1333.32  104.284   20.765  135.966   12.207 -31.68205 24.08705 
1 1 1  -80    4   10 o  114.525   10.633  5510.50  977.474  4750.13  1588.86  5973.52  1239.87  102.130   19.875  118.268   13.133 -16.13782 23.82228 
1 1 1  -80    4   11 o  110.661   11.047  5182.10  979.362  4726.35  1596.06  5457.33  1240.31  101.120   20.146  112.311   13.898 -11.19061 24.47502 
1 1 1  -80    4   12 o  157.634   11.598 10565.95  1474.07 11810.87  2233.42  9605.10  1962.13  162.490   17.189  146.733   16.770 15.75717 24.01443 
1 1 1  -80    4   13 o  144.326   12.064  8965.51  1400.80  7898.95  2113.44  9801.18  1870.75  128.468   20.985  148.041   15.807 -19.57291 26.27291 
1 1 1  -80    4   14 o   52.219   16.238  1256.43  761.490  1765.63  1201.12  914.225  984.669   60.512   20.513   48.069   18.268 12.44295 27.46811 
1 1 1  -80    4   15 o   36.240   15.275  236.608  767.742  460.476  1248.83  100.595  973.417   45.099   19.263   38.170   16.655 6.929478 25.46488 
1 1 1  -80    4   16 o   36.197   15.004  336.685  722.454 -894.2026  1375.80  805.321  848.916   36.638   17.352   43.922   16.897 -7.284458 24.22023 
1 1 1  -80    4   17 o   73.755   18.792  2957.51  1128.57  4349.40  1804.69  2063.61  1446.25   80.976   24.967   58.471   22.159 22.50511 33.38232 
1 1 1  -80    4   18 o   45.196   18.513  1058.22  1082.78  3060.47  1733.67 -222.2829  1386.44   62.678   24.138   37.633   17.700 25.04507 29.93168 
1 1 1  -80    4   19 o   33.247   15.729 -224.8145  1124.69  102.802  1771.88 -445.8764  1455.49   39.361   18.926   35.146   16.963 4.214600 25.41559 
1 1 1  -80    6    1 o  112.871   32.862  6007.92  3194.52   0.0000   0.0000  6007.92  3194.52  ?   ?   112.871   32.862 0.000000 32.86243 
1 1 1  -80    6    2 o   64.158   12.816  1762.07  644.277  1648.95  664.772  3512.29  2614.86   61.878   13.602   89.405   30.267 -27.52695 33.18258 
1 1 1  -80    6    3 o   47.144   13.742  942.879  558.335  927.613  566.518  1459.90  3296.88   46.855   13.894   77.599   32.099 -30.74360 34.97738 
1 1 1  -80    6    4 o  180.393   13.766 13622.81  2001.12 12751.70  2138.90 19738.09  5667.15  173.880   15.306  201.958   35.874 -28.07776 39.00225 
1 1 1  -80    6    5 o  115.765   13.963  5668.25  1285.96  5632.34  1331.28  6168.89  4971.12  115.196   14.558  112.038   41.362 3.157555 43.84959 
1 1 1  -80    6    6 o  208.685   12.377 18167.82  2087.93 15086.26  3331.82 20160.51  2679.27  184.326   22.744  218.409   15.203 -34.08263 27.35714 
1 1 1  -80    6    7 o   76.556   9.0041  2444.66  549.006  2320.09  1102.32  2485.75  633.115   72.102   18.678   76.867   10.412 -4.764595 21.38432 
1 1 1  -80    6    8 o  183.161   11.395 14012.36  1686.25 14290.81  2623.64 13816.38  2201.07  181.238   18.069  179.928   15.208 1.309845 23.61777 
1 1 1  -80    6    9 o  209.440   12.722 18497.56  2153.32 18241.71  3276.23 18692.14  2857.12  202.409   20.205  207.473   17.113 -5.064606 26.47771 
1 1 1  -80    6   10 o   58.878   11.214  1495.28  516.509  716.160  1105.89  1712.65  584.135   48.541   19.109   62.923   11.868 -14.38160 22.49479 
1 1 1  -80    6   11 o  134.981   10.858  7688.50  1179.93  7288.94  1934.62  7925.17  1488.92  126.355   19.483  135.561   13.716 -9.206329 23.82662 
1 1 1  -80    6   12 o  146.423   11.441  9127.80  1349.42  9260.03  2175.16  9045.07  1720.54  141.640   19.425  143.426   14.996 -1.786209 24.53973 
1 1 1  -80    6   13 o  166.168   13.068 12012.03  1748.93  9645.27  2662.18 13809.07  2319.74  137.828   24.695  174.830   16.538 -37.00163 29.72116 
1 1 1  -80    6   14 o   41.821   16.133  626.173  775.525  1357.34  1175.38   62.454  1032.06   54.828   20.133   39.160   17.117 15.66803 26.42595 
1 1 1  -80    6   15 o   22.454   10.746 -677.8565  556.310 -1501.0580  1081.12 -381.3898  648.796   29.425   14.300   27.272   12.581 2.153486 19.04710 
1 1 1  -80    6   16 o   23.647   11.286 -663.9959  605.001  152.432  1064.97 -1053.0360  735.148   39.013   17.209   24.323   11.814 14.68956 20.87398 
1 1 1  -80    6   17 o   36.014   15.762  207.613  877.722  836.539  1463.09 -145.9919  1097.06   46.643   20.384   36.047   16.530 10.59593 26.24426 
1 1 1  -80    6   18 o   58.403   19.601  2149.37  1096.59  1965.82  1786.82  2260.28  1388.91   52.295   22.694   56.762   21.666 -4.467056 31.37589 
1 1 1  -80    6   19 o   43.256   17.819  1165.79  1010.26  2048.30  1833.95  781.333  1210.47   48.054   21.780   40.019   17.955 8.034588 28.22656 
1 1 1  -80    8    1 o  167.794   34.830 13495.43  4589.99   0.0000   0.0000 13495.43  4589.99  ?   ?   167.794   34.830 0.000000 34.82983 
1 1 1  -80    8    2 o  123.730   35.812  7501.15  3803.80   0.0000   0.0000  7501.15  3803.80  ?   ?   123.730   35.812 0.000000 35.81245 
1 1 1  -80    8    3 o  155.279   40.546 12396.83  5167.33   0.0000   0.0000 12396.83  5167.33  ?   ?   155.279   40.546 0.000000 40.54556 
1 1 1  -80    8    4 o  128.066   43.409  8724.96  5378.74   0.0000   0.0000  8724.96  5378.74  ?   ?   128.066   43.409 0.000000 43.40886 
1 1 1  -80    8    5 o   21.466   9.4154 -74.1544  314.709 -37.9963  315.495 -7304.8140  4461.48   22.092   9.5617   56.924   27.956 -34.83142 29.54624 
1 1 1  -80    8    6 o   93.789   15.605  3804.22  1146.63  3563.92  1173.52  8867.80  5386.99   90.364   16.606  126.198   43.430 -35.83363 46.49629 
1 1 1  -80    8    7 o  264.862   14.761 29713.39  3161.85 21981.29  4986.14 34913.81  4089.16  215.120   29.309  284.548   17.788 -69.42726 34.28438 
1 1 1  -80    8    8 o   70.918   9.2092  2110.32  517.772  1555.96  1003.85  2311.25  604.368   59.646   18.659   73.971   10.345 -14.32528 21.33540 
1 1 1  -80    8    9 o   77.216   9.3066  2502.46  571.739  1037.76  1132.77  3003.14  662.287   52.898   19.702   84.534   9.8326 -31.63644 22.01899 
1 1 1  -80    8   10 o  188.899   12.433 15131.99  1896.38 13231.10  2933.67 16496.43  2485.48  169.351   21.844  194.723   15.858 -25.37163 26.99298 
1 1 1  -80    8   11 o   66.100   11.611  1893.31  600.427  1349.70  1117.56  2113.91  711.903   56.161   19.755   69.390   13.116 -13.22948 23.71265 
1 1 1  -80    8   12 o   46.940   14.853  965.232  634.310 -146.0797  1086.47  1539.91  781.287   38.929   17.266   58.030   16.044 -19.10089 23.56980 
1 1 1  -80    8   13 o  180.412   13.467 14265.87  1958.48 10905.14  2994.17 16778.95  2589.18  143.401   26.697  191.929   16.783 -48.52818 31.53445 
1 1 1  -80    8   14 o   89.994   13.161  3623.49  933.278  2034.47  1499.80  4627.60  1192.23   63.299   22.818  100.526   15.071 -37.22768 27.34606 
1 1 1  -80    8   15 o  236.386   21.735 29213.16  4125.11  1378.77  6057.95 53277.82  5632.80   66.719   32.728  318.834   21.891 -252.1151 39.37454 
1 1 1  -80    8   16 o   43.937   17.013  837.143  864.968 -477.1342  1431.25  1593.35  1085.66   38.990   18.224   54.806   19.450 -15.81568 26.65396 
1 1 1  -80    8   17 o   60.281   17.836  2012.58  934.333  2902.54  1876.32  1719.14  1077.41   62.482   24.797   54.500   19.373 7.982021 31.46740 
1 1 1  -80    8   18 f   31.905   14.424   36.081  798.420 -751.1011  1588.52  302.162  923.554   36.106   17.498   35.788   15.894 0.3175850 23.63857 
1 1 1  -80    8   19 o   52.958   19.966  2194.48  1170.31  1259.95  1983.28  2693.73  1449.58   42.817   20.436   54.440   21.736 -11.62264 29.83366 
1 1 1  -80   10    1 o  213.996   34.812 21954.57  5840.89   0.0000   0.0000 21954.57  5840.89  ?   ?   213.996   34.812 0.000000 34.81178 
1 1 1  -80   10    2 o  219.401   37.271 23670.70  6402.20   0.0000   0.0000 23670.70  6402.20  ?   ?   219.401   37.271 0.000000 37.27131 
1 1 1  -80   10    3 o  176.961   42.601 16573.46  6047.57   0.0000   0.0000 16573.46  6047.57  ?   ?   176.961   42.601 0.000000 42.60067 
1 1 1  -80   10    4 o  138.576   43.792 10611.20  5515.04   0.0000   0.0000 10611.20  5515.04  ?   ?   138.576   43.792 0.000000 43.79160 
1 1 1  -80   10    5 o  224.733   48.744 29068.24  8638.56   0.0000   0.0000 29068.24  8638.56  ?   ?   224.733   48.744 0.000000 48.74375 
1 1 1  -80   10    6 o  109.742   18.305  5301.29  1573.64  4160.50  1620.83 24040.80  6569.24   95.669   21.401  213.913   39.269 -118.2433 44.72180 
1 1 1  -80   10    7 o   28.194   12.378 -112.4730  545.044 -90.8731  547.245 -2781.2070  6082.87   28.521   12.465   77.090   36.504 -48.56886 38.57362 
1 1 1  -80   10    8 o   54.297   9.3492  1252.80  397.310  1106.16  963.768  1282.83  436.091   52.373   18.350   54.757   10.183 -2.384052 20.98611 
1 1 1  -80   10    9 o   60.146   10.242  1545.75  482.242  1208.17  1168.41  1615.06  529.440   55.194   20.103   61.285   11.046 -6.091106 22.93763 
1 1 1  -80   10   10 o  137.063   12.358  8013.00  1360.56  533.326  2309.89 11986.60  1683.61   59.451   25.801  167.773   12.448 -108.3226 28.64695 
1 1 1  -80   10   11 o   50.096   12.511  1110.84  507.383  2066.01  1166.32  887.884  563.498   66.259   20.002   45.164   13.956 21.09432 24.38917 
1 1 1  -80   10   12 o   61.883   12.633  1699.91  613.278  2201.77  1362.80  1572.46  686.745   67.200   21.824   58.845   14.473 8.354919 26.18741 
1 1 1  -80   10   13 o   87.279   12.248  3350.37  844.065  2886.67  1677.33  3507.61  976.747   73.773   24.225   88.287   14.100 -14.51453 28.02926 
1 1 1  -80   10   14 o   89.608   13.703  3644.88  965.302  3178.53  1685.93  3872.33  1177.40   75.324   24.256   90.236   16.684 -14.91212 29.43995 
1 1 1  -80   10   15 o   62.735   16.767  1961.97  870.436 -25.5748  1751.81  2613.53  1003.01   45.627   20.911   72.226   17.326 -26.59892 27.15568 
1 1 1  -80   10   16 o   57.363   17.556  1744.63  894.141  1139.42  1673.15  1986.56  1057.87   50.577   21.955   59.851   19.208 -9.274387 29.17081 
1 1 1  -80   10   17 o   55.223   18.558  1785.39  983.034  2744.31  2002.39  1480.89  1128.37   58.652   24.692   50.307   19.445 8.344841 31.42944 
1 1 1  -80   10   18 o   38.708   11.180  736.949  371.038 -244.1087  1812.67  779.852  379.064   38.747   18.757   39.769   11.240 -1.021515 21.86670 
1 1 1  -80   12    1 o  113.464   38.676  6485.66  4270.06   0.0000   0.0000  6485.66  4270.06  ?   ?   113.464   38.676 0.000000 38.67616 
1 1 1  -80   12    2 o  285.669   40.685 41907.50  9170.43   0.0000   0.0000 41907.50  9170.43  ?   ?   285.669   40.685 0.000000 40.68515 
1 1 1  -80   12    3 o   95.616   37.768  3889.89  4333.55   0.0000   0.0000  3889.89  4333.55  ?   ?    95.616   37.768 0.000000 37.76797 
1 1 1  -80   12    4 o  158.496   46.968 14813.53  6475.38   0.0000   0.0000 14813.53  6475.38  ?   ?   158.496   46.968 0.000000 46.96847 
1 1 1  -80   12    5 o  111.130   43.459  6635.51  5687.17   0.0000   0.0000  6635.51  5687.17  ?   ?   111.130   43.459 0.000000 43.45866 
1 1 1  -80   12    6 o  129.790   50.079 11310.38  7473.89   0.0000   0.0000 11310.38  7473.89  ?   ?   129.790   50.079 0.000000 50.07897 
1 1 1  -80   12    7 o   31.725   13.348   85.503  584.563  144.631  586.896 -7309.7798  6563.58   32.601   13.519   69.669   34.154 -37.06762 36.73194 
1 1 1  -80   12    8 o   98.783   9.9951  4096.65  790.657  1585.73  1651.60  4843.17  900.555   63.120   23.734  107.322   10.468 -44.20214 25.93992 
1 1 1  -80   12    9 o   74.967   10.673  2395.21  631.322   0.0000   0.0000  2395.21  631.322  ?   ?    74.967   10.673 0.000000 10.67294 
1 1 1  -80   12   10 o   54.399   11.635  1295.54  498.382 -1491.6000  1356.83  1730.23  535.838   35.401   16.898   63.345   10.806 -27.94450 20.05729 
1 1 1  -80   12   11 o   19.341   9.2858 -585.8083  422.902  354.006  1219.07 -714.3824  450.903   45.283   19.176   19.263   9.3320 26.01995 21.32590 
1 1 1  -80   12   12 o   67.258   12.891  2017.59  678.373  3153.81  1524.64  1737.12  757.485   78.494   22.660   61.353   15.267 17.14083 27.32272 
1 1 1  -80   12   13 o  104.120   11.595  4740.59  963.651  4189.50  2000.90  4907.02  1099.57   85.513   26.277  104.878   13.205 -19.36475 29.40836 
1 1 1  -80   12   14 o   50.834   15.126  1227.41  670.532 -1568.9540  1689.76  1750.05  730.510   38.144   18.376   60.636   14.935 -22.49272 23.68032 
1 1 1  -80   12   15 o   64.405   15.572  2048.56  805.361  1019.94  1737.66  2329.96  908.872   51.135   22.284   67.991   16.606 -16.85622 27.79117 
1 1 1  -80   12   16 o  101.857   9.1986  4572.69  752.559  2613.28  2208.10  4830.19  800.485   59.334   25.486  104.389   9.5499 -45.05511 27.21623 
1 1 1  -80   12   17 o  102.381   9.9076  4781.42  813.321 -382.9320  2412.88  5443.40  863.877   42.762   20.909  109.364   9.8335 -66.60189 23.10583 
1 1 1  -80   12   18 f   86.938   12.425  3819.91  852.155 -1610.3101  2445.75  4570.22  909.123   37.007   18.577   95.827   11.943 -58.82059 22.08515 
1 1 1  -80   14    1 o  155.309   40.647 12948.38  5185.37   0.0000   0.0000 12948.38  5185.37  ?   ?   155.309   40.647 0.000000 40.64668 
1 1 1  -80   14    2 o  153.893   43.441 13320.79  5665.62   0.0000   0.0000 13320.79  5665.62  ?   ?   153.893   43.441 0.000000 43.44108 
1 1 1  -80   14    3 o   95.745   38.988  3915.42  4766.77   0.0000   0.0000  3915.42  4766.77  ?   ?    95.745   38.988 0.000000 38.98751 
1 1 1  -80   14    4 o   72.946   33.935 -1693.3250  4871.06   0.0000   0.0000 -1693.3250  4871.06  ?   ?    72.946   33.935 0.000000 33.93518 
1 1 1  -80   14    5 o   92.357   40.595  2753.46  5877.02   0.0000   0.0000  2753.46  5877.02  ?   ?    92.357   40.595 0.000000 40.59471 
1 1 1  -80   14    6 o  103.434   45.565  5425.12  7441.08   0.0000   0.0000  5425.12  7441.08  ?   ?   103.434   45.565 0.000000 45.56454 
1 1 1  -80   14    7 f   75.806   26.490  2672.96  2007.85  1913.02  2078.53 13281.18  7765.83   68.799   26.447  130.308   50.832 -61.50919 57.30010 
1 1 1  -80   14    8 o   69.242   25.247  2140.25  1843.66  1104.20  1885.07 24946.54  8844.31   59.955   24.477  172.515   55.556 -112.5601 60.70948 
1 1 1  -80   14    9 o   68.935   10.391  2032.89  563.533 -1202.4530  1738.89  2412.56  595.681   42.779   20.024   75.345   9.9828 -32.56573 22.37474 
1 1 1  -80   14   10 o   51.173   11.329  1150.63  458.287  3110.23  1633.39  983.180  477.465   78.703   23.650   47.108   12.337 31.59518 26.67460 
1 1 1  -80   14   11 o   80.297   10.859  2784.05  689.802  2822.36  1996.17  2778.85  735.086   73.373   26.338   79.860   11.682 -6.486832 28.81280 
1 1 1  -80   14   12 o  101.448   11.226  4470.92  909.222  5031.44  2362.52  4373.46  985.096   91.931   28.603   99.596   12.454 -7.664520 31.19699 
1 1 1  -80   14   13 o   40.755   13.766  726.675  540.883  3214.46  1870.19  499.593  565.030   73.998   25.582   36.687   13.863 37.31126 29.09694 
1 1 1  -80   14   14 o   71.526   14.865  2450.39  835.101  3403.68  2244.48  2297.21  899.694   70.761   27.404   68.021   16.466 2.740707 31.97066 
1 1 1  -80   14   15 o   28.318   9.9961  325.317  286.379 -2822.2859  2183.97  380.385  288.873   37.630   18.678   29.862   10.060 7.768118 21.21457 
1 1 1  -80   14   16 o   64.669   9.8827  1904.19  502.456  1439.45  2293.63  1927.61  514.964   50.458   23.410   64.925   10.097 -14.46690 25.49457 
1 1 1  -80   14   17 o  111.855   12.621  6214.01  1126.26  5813.32  3294.82  6267.03  1198.45   58.974   27.592  110.760   13.613 -51.78545 30.76723 
1 1 1  -80   16    1 o   73.430   32.455  437.327  3806.08   0.0000   0.0000  437.327  3806.08  ?   ?    73.430   32.455 0.000000 32.45484 
1 1 1  -80   16    2 o   61.984   29.238 -2591.5701  3834.07   0.0000   0.0000 -2591.5701  3834.07  ?   ?    61.984   29.238 0.000000 29.23828 
1 1 1  -80   16    3 o  165.390   51.736 18628.29  7717.37   0.0000   0.0000 18628.29  7717.37  ?   ?   165.390   51.736 0.000000 51.73601 
1 1 1  -80   16    4 o  187.624   54.482 25079.28  8790.62   0.0000   0.0000 25079.28  8790.62  ?   ?   187.624   54.482 0.000000 54.48151 
1 1 1  -80   16    5 o   81.412   38.048 -541.8248  6235.63   0.0000   0.0000 -541.8248  6235.63  ?   ?    81.412   38.048 0.000000 38.04771 
1 1 1  -80   16    6 o  123.165   50.532 12249.42  8083.53   0.0000   0.0000 12249.42  8083.53  ?   ?   123.165   50.532 0.000000 50.53167 
1 1 1  -80   16    7 o  163.755   61.936 29831.22 11285.18   0.0000   0.0000 29831.22 11285.18  ?   ?   163.755   61.936 0.000000 61.93631 
1 1 1  -80   16    8 o   88.514   28.391  4125.74  2311.51  3860.25  2379.73  8558.12  9723.55   85.658   28.874  101.645   47.506 -15.98634 55.59272 
1 1 1  -80   16    9 o   94.084   29.310  4896.32  2479.81  4896.32  2479.81   0.0000   0.0000   94.084   29.310  ?   ?  0.000000 29.31007 
1 1 1  -80   16   10 o   84.216   11.300  3071.70  753.225 -1075.6860  2195.18  3625.16  801.910   47.948   22.461   91.739   10.984 -43.79029 25.00326 
1 1 1  -80   16   11 o  114.097   11.872  5679.83  1083.72  1936.30  2753.78  6365.85  1178.85   66.268   28.462  120.613   12.205 -54.34549 30.96899 
1 1 1  -80   16   12 o   65.648   13.379  1974.53  688.928 -843.8025  2397.43  2228.21  719.265   48.843   23.064   69.970   13.143 -21.12648 26.54614 
1 1 1  -80   16   13 o   45.304   13.653  958.816  543.786 -2733.9160  2347.78  1168.15  558.987   40.939   20.141   49.823   13.487 -8.883678 24.23955 
1 1 1  -80   16   14 o   31.536   10.660  426.145  324.329  2819.29  2484.03  384.641  327.129   62.716   26.987   30.493   10.690 32.22313 29.02728 
1 1 1  -80   16   15 o   71.127   8.9655  2244.91  506.282  3987.26  2922.16  2190.99  514.056   62.804   28.056   70.063   9.2634 -7.258934 29.54607 
1 1 1  -80   16   16 o   50.175   12.905  1277.88  528.724 -790.0942  3055.02  1341.73  536.824   43.332   21.602   51.473   12.877 -8.140919 25.14901 
1 1 1  -80   18    1 o   68.324   31.523 -1034.1520  4074.56   0.0000   0.0000 -1034.1520  4074.56  ?   ?    68.324   31.523 0.000000 31.52306 
1 1 1  -80   18    2 o  130.849   46.756 11503.06  6283.66   0.0000   0.0000 11503.06  6283.66  ?   ?   130.849   46.756 0.000000 46.75562 
1 1 1  -80   18    3 o  155.066   54.310 19221.05  8441.99   0.0000   0.0000 19221.05  8441.99  ?   ?   155.066   54.310 0.000000 54.30993 
1 1 1  -80   18    4 o   66.174   32.252 -5348.4922  5609.22   0.0000   0.0000 -5348.4922  5609.22  ?   ?    66.174   32.252 0.000000 32.25248 
1 1 1  -80   18    5 o  136.888   54.701 17962.88  9189.64   0.0000   0.0000 17962.88  9189.64  ?   ?   136.888   54.701 0.000000 54.70136 
1 1 1  -80   18    6 o   67.233   33.209 -6880.5112  6604.23   0.0000   0.0000 -6880.5112  6604.23  ?   ?    67.233   33.209 0.000000 33.20937 
1 1 1  -80   18    7 o  101.150   47.024  9034.40  9327.70   0.0000   0.0000  9034.40  9327.70  ?   ?   101.150   47.024 0.000000 47.02391 
1 1 1  -80   18    8 o   97.364   46.831 10134.80 10869.51   0.0000   0.0000 10134.80 10869.51  ?   ?    97.364   46.831 0.000000 46.83102 
1 1 1  -80   18    9 o   51.230   23.830 -760.5809  2401.02 -1880.5500  2455.87 23478.88 11425.18   47.356   22.640  113.454   52.500 -66.09840 57.17339 
1 1 1  -80   18   10 f   36.438   12.516  547.258  447.275 -1213.7371  2474.13  606.755  454.767   49.144   23.274   37.837   12.623 11.30620 26.47643 
1 1 1  -80   18   11 o   32.180   12.288  352.311  446.874 -945.8798  2399.53  398.954  454.832   48.410   22.924   33.227   12.463 15.18317 26.09302 
1 1 1  -80   18   12 o   37.680   12.768  619.610  465.361  3568.74  2544.13  517.523  473.347   71.596   28.721   35.587   12.820 36.00935 31.45242 
1 1 1  -80   18   13 o   52.370   8.7877  1207.40  360.439  711.197  2604.15  1217.09  363.941   52.586   24.580   52.560   8.8417 0.2605438E-01 26.12174 
1 1 1  -80   18   14 o   28.209   10.478  306.534  319.973 -621.6866  2767.41  319.111  322.133   46.196   22.546   28.543   10.531 17.65269 24.88379 
1 1 1  -80   18   15 o   33.019   12.141  482.950  427.633 -2190.0940  3023.56  537.511  431.975   41.235   20.694   34.210   12.255 7.025089 24.05041 
1 1 1  -80   20    1 o   80.804   36.286  1578.55  4956.15   0.0000   0.0000  1578.55  4956.15  ?   ?    80.804   36.286 0.000000 36.28642 
1 1 1  -80   20    2 o   89.830   39.628  3613.60  5648.36   0.0000   0.0000  3613.60  5648.36  ?   ?    89.830   39.628 0.000000 39.62836 
1 1 1  -80   20    3 o  128.061   50.922 14509.08  7926.60   0.0000   0.0000 14509.08  7926.60  ?   ?   128.061   50.922 0.000000 50.92195 
1 1 1  -80   20    4 o  215.826   68.088 52085.96 13336.73   0.0000   0.0000 52085.96 13336.73  ?   ?   215.826   68.088 0.000000 68.08793 
1 1 1  -80   20    5 o   76.703   37.115 -1592.5380  7079.87   0.0000   0.0000 -1592.5380  7079.87  ?   ?    76.703   37.115 0.000000 37.11518 
1 1 1  -80   20    6 o   69.599   34.460 -5427.4380  7264.08   0.0000   0.0000 -5427.4380  7264.08  ?   ?    69.599   34.460 0.000000 34.46020 
1 1 1  -80   20    7 o  107.288   50.075 17510.31 10745.76   0.0000   0.0000 17510.31 10745.76  ?   ?   107.288   50.075 0.000000 50.07527 
1 1 1  -80   20    8 o   76.708   38.361 -713.2396  9967.04   0.0000   0.0000 -713.2396  9967.04  ?   ?    76.708   38.361 0.000000 38.36084 
1 1 1  -80   20    9 o   73.504   30.981  3245.89  3158.24  3210.02  3259.27  3797.70 12783.20   73.304   31.210   78.079   39.584 -4.775352 50.40781 
1 1 1  -80   20   10 o   74.558   38.227  6688.57 15069.10   0.0000   0.0000  6688.57 15069.10  ?   ?    74.558   38.227 0.000000 38.22702 
1 1 1  -80   20   11 o   38.949   9.0610  673.804  281.159  294.446  3518.01  676.243  282.061   56.740   27.119   39.017   9.0747 17.72353 28.59655 
1 1 1  -80   20   12 o   31.107   12.314  312.548  461.645 -4817.2881  3400.22  408.883  465.959   42.937   21.602   32.950   12.556 9.987473 24.98564 
1 1 1  -80   20   13 o  107.365   11.568  5323.97  992.548 24579.25  4316.23  4248.89  1019.88  179.342   30.747   93.496   13.854 85.84525 33.72396 
1 1 1  -80   20   14 o   47.789   13.998  1186.54  578.055  6194.45  3576.74  1052.23  585.756   63.120   29.267   44.913   14.280 18.20683 32.56463 
1 1 1  -80   22    1 o   77.488   36.088  948.672  5533.36   0.0000   0.0000  948.672  5533.36  ?   ?    77.488   36.088 0.000000 36.08844 
1 1 1  -80   22    2 o   77.080   36.402  481.033  5975.14   0.0000   0.0000  481.033  5975.14  ?   ?    77.080   36.402 0.000000 36.40239 
1 1 1  -80   22    3 o   95.752   44.073  7434.08  7898.20   0.0000   0.0000  7434.08  7898.20  ?   ?    95.752   44.073 0.000000 44.07324 
1 1 1  -80   22    4 o   84.998   40.681  3470.74  7977.08   0.0000   0.0000  3470.74  7977.08  ?   ?    84.998   40.681 0.000000 40.68106 
1 1 1  -80   22    5 o   63.724   32.005 -8656.1348  7304.24   0.0000   0.0000 -8656.1348  7304.24  ?   ?    63.724   32.005 0.000000 32.00502 
1 1 1  -80   22    6 o   87.204   42.704  8082.86 10178.69   0.0000   0.0000  8082.86 10178.69  ?   ?    87.204   42.704 0.000000 42.70385 
1 1 1  -80   22    7 o   92.194   45.370 17537.64 11944.08   0.0000   0.0000 17537.64 11944.08  ?   ?    92.194   45.370 0.000000 45.37011 
1 1 1  -80   22    8 o   83.423   41.992 16092.57 12942.22   0.0000   0.0000 16092.57 12942.22  ?   ?    83.423   41.992 0.000000 41.99204 
1 1 1  -80   22    9 o   54.786   26.449 -826.0684  3544.09 -692.2687  3664.50 -2762.2000 13939.75   55.687   26.887   67.794   34.853 -12.10690 44.01850 
1 1 1  -80   22   10 o   66.430   10.559  1971.31  550.469   0.0000   0.0000  1971.31  550.469  ?   ?    66.430   10.559 0.000000 10.55869 
1 1 1  -80   22   11 o   81.688   11.159  3031.26  720.801 14130.57  4741.42  2768.68  729.278  101.097   39.641   77.414   11.990 23.68341 41.41416 
1 1 1  -80   22   12 o   64.268   31.565  8347.21  5689.60  8347.21  5689.60   0.0000   0.0000   64.268   31.565  ?   ?  0.000000 31.56473 
1 1 1  -80   24    1 o   87.914   39.682  6030.08  6015.27   0.0000   0.0000  6030.08  6015.27  ?   ?    87.914   39.682 0.000000 39.68177 
1 1 1  -80   24    2 o   82.171   38.289  4424.15  6241.21   0.0000   0.0000  4424.15  6241.21  ?   ?    82.171   38.289 0.000000 38.28865 
1 1 1  -80   24    3 o   77.086   37.178  2521.31  6961.15   0.0000   0.0000  2521.31  6961.15  ?   ?    77.086   37.178 0.000000 37.17831 
1 1 1  -80   24    4 o   84.057   40.458  7150.88  8144.84   0.0000   0.0000  7150.88  8144.84  ?   ?    84.057   40.458 0.000000 40.45773 
1 1 1  -80   24    5 o   74.674   37.440  2045.03  9783.01   0.0000   0.0000  2045.03  9783.01  ?   ?    74.674   37.440 0.000000 37.44003 
1 1 1  -80   24    6 o   70.695   35.862 -43.3405 10595.80   0.0000   0.0000 -43.3405 10595.80  ?   ?    70.695   35.862 0.000000 35.86160 
1 1 1  -80   24    7 f   63.851   32.691 -6441.3301 10622.12   0.0000   0.0000 -6441.3301 10622.12  ?   ?    63.851   32.691 0.000000 32.69145 
1 1 1  -80   24    8 o   74.188   38.089 24578.46 15531.69   0.0000   0.0000 24578.46 15531.69  ?   ?    74.188   38.089 0.000000 38.08876 
1 1 1  -80   24    9 o   61.472   31.750 -348.6889 14089.38   0.0000   0.0000 -348.6889 14089.38  ?   ?    61.472   31.750 0.000000 31.75040 
1 1 1  -80   24   10 o   54.104   28.117 -21371.7793 16217.07   0.0000   0.0000 -21371.7793 16217.07  ?   ?    54.104   28.117 0.000000 28.11707 
1 1 1  -80   26    1 o   60.519   30.331 -4694.2822  6389.81   0.0000   0.0000 -4694.2822  6389.81  ?   ?    60.519   30.331 0.000000 30.33083 
1 1 1  -80   26    2 o   56.988   28.873 -8427.4727  6732.61   0.0000   0.0000 -8427.4727  6732.61  ?   ?    56.988   28.873 0.000000 28.87342 
1 1 1  -80   26    3 o   73.959   37.061  5600.95  9524.51   0.0000   0.0000  5600.95  9524.51  ?   ?    73.959   37.061 0.000000 37.06111 
1 1 1  -80   26    4 o   58.997   30.186 -10376.9697  8909.41   0.0000   0.0000 -10376.9697  8909.41  ?   ?    58.997   30.186 0.000000 30.18608 
1 1 1  -80   26    5 o   68.972   35.233  5478.64 11701.58   0.0000   0.0000  5478.64 11701.58  ?   ?    68.972   35.233 0.000000 35.23291 
1 1 1  -80   26    6 o   69.672   35.795 15405.38 14104.23   0.0000   0.0000 15405.38 14104.23  ?   ?    69.672   35.795 0.000000 35.79544 
1 1 1  -80   26    7 o   55.541   28.702 -14808.7197 11880.94   0.0000   0.0000 -14808.7197 11880.94  ?   ?    55.541   28.702 0.000000 28.70218 
1 1 1  -79    1    1 o   76.989   20.633  2597.03  1315.96  1688.82  1764.04  3736.65  1976.04   67.693   24.694   91.494   25.595 -23.80165 35.56528 
1 1 1  -79    1    2 o  168.566   19.505 12133.02  2620.37  9294.50  3598.18 15338.33  3823.60  141.546   32.052  186.516   25.951 -44.96992 41.24040 
1 1 1  -79    1    3 o  139.774   7.8100  8008.94  882.822  8289.59  1259.12  7737.55  1238.15  141.539   11.043  136.664   11.258 4.874832 15.77017 
1 1 1  -79    1    4 o  184.385   8.9875 13932.28  1345.56 14534.41  1920.55 13351.78  1885.75  187.049   12.721  179.134   13.055 7.914764 18.22767 
1 1 1  -79    1    5 o   63.929   7.6614  1694.79  389.764  1849.05  582.115  1569.43  524.757   66.087   11.251   60.812   11.034 5.275364 15.75877 
1 1 1  -79    1    6 o  169.459   10.382 11872.47  1421.69 11507.16  2056.84 12206.65  1967.29  164.998   15.536  170.462   14.347 -5.464478 21.14681 
1 1 1  -79    1    7 o  280.165   15.301 33080.08  3467.60 30654.89  4935.26 35444.65  4873.19  263.407   23.316  285.335   21.185 -21.92792 31.50310 
1 1 1  -79    1    8 o  244.405   13.772 25097.89  2721.99 25774.65  3883.51 24444.35  3816.31  243.380   19.824  236.815   20.035 6.564621 28.18497 
1 1 1  -79    1    9 o   65.920   11.186  1852.52  577.333  2354.70  883.330  1478.03  762.809   73.293   15.336   57.999   15.779 15.29345 22.00327 
1 1 1  -79    1   10 o   82.133   10.685  2849.72  695.724  2078.07  1051.77  3450.01  927.675   67.885   18.552   89.685   13.128 -21.79952 22.72740 
1 1 1  -79    1   11 o   26.275   11.746 -189.3532  513.128  550.082  721.520 -946.0612  729.898   41.059   15.629   25.735   12.314 15.32418 19.89765 
1 1 1  -79    1   12 o   93.946   12.123  3788.51  903.146  2986.10  1293.67  4551.41  1261.42   79.803   20.003  101.308   15.855 -21.50446 25.52471 
1 1 1  -79    1   13 o   85.128   13.397  3182.02  895.417  3968.28  1320.74  2513.21  1218.10   92.587   18.217   72.561   20.022 20.02668 27.06901 
1 1 1  -79    1   14 o  173.417   13.077 13113.45  1827.79 14947.68  2640.17 11425.22  2532.92  179.419   18.382  154.155   20.764 25.26424 27.73205 
1 1 1  -79    1   15 o   55.888   15.792  1469.59  748.344  1193.90  1118.70  1692.87  1006.77   52.216   19.553   59.028   18.716 -6.812107 27.06705 
1 1 1  -79    1   16 o   58.113   17.460  1675.83  890.300  1812.17  1184.60  1498.86  1349.63   59.250   20.367   55.519   21.318 3.730846 29.48352 
1 1 1  -79    1   17 o   34.618   15.296   53.061  844.725 -1316.9750  1089.57  2117.23  1337.41   29.766   14.440   60.719   21.584 -30.95371 25.96900 
1 1 1  -79    1   18 o   22.413   11.217 -1970.1429  859.166 -1927.7531  1186.02 -2016.9520  1246.31   28.128   13.926   28.709   14.225 -0.5807590 19.90724 
1 1 1  -79    1   19 o   27.311   13.328 -1070.8320  966.749 -1871.6230  1373.05 -283.5550  1361.41   29.779   14.785   35.924   17.086 -6.145197 22.59488 
1 1 1  -79    1   20 o   19.353   9.8712 -2925.9299  889.569 -1874.8440  1198.85 -4213.6602  1326.96   26.419   13.226   22.842   11.684 3.577709 17.64744 
1 1 1  -79    3    1 o  209.221   13.002 18148.61  2197.83 19071.10  2471.57 14662.39  4804.72  214.029   14.304  177.171   34.641 36.85838 37.47794 
1 1 1  -79    3    2 o  226.160   12.775 21191.66  2336.42 20547.04  2615.83 23734.77  5195.64  222.005   14.593  230.816   28.316 -8.811768 31.85545 
1 1 1  -79    3    3 o  151.994   11.078  9556.19  1357.71  9301.54  1436.96 11675.56  4145.57  149.726   11.918  157.758   33.404 -8.032074 35.46626 
1 1 1  -79    3    4 o  170.782   13.247 12155.93  1822.55  7669.07  4229.41 13179.11  2019.69  125.073   38.163  177.556   14.126 -52.48235 40.69392 
1 1 1  -79    3    5 o  204.513   11.575 17323.96  1914.25 15275.19  2629.72 19633.14  2791.86  189.693   17.262  215.841   16.045 -26.14771 23.56744 
1 1 1  -79    3    6 o  191.695   11.233 15230.43  1740.81 15214.15  2667.96 15242.49  2297.20  188.832   17.604  190.268   14.991 -1.436905 23.12165 
1 1 1  -79    3    7 o  181.640   11.247 13704.55  1650.67 12451.63  2458.10 14733.58  2227.68  170.091   18.075  186.848   14.805 -16.75699 23.36433 
1 1 1  -79    3    8 o   35.153   11.846  483.098  400.510  646.724  734.667  413.904  477.746   43.156   15.907   34.928   12.834 8.227573 20.43875 
1 1 1  -79    3    9 o  128.592   10.101  6885.62  1046.18  7539.19  1614.10  6412.15  1373.81  132.550   15.277  122.642   14.049 9.907715 20.75490 
1 1 1  -79    3   10 o  109.900   10.096  5053.07  890.865  5120.51  1407.39  5007.99  1150.75  108.058   16.569  108.223   13.381 -0.1651306 21.29732 
1 1 1  -79    3   11 o   37.096   13.133  519.753  494.647  784.837  1053.47  444.782  560.245   48.671   18.795   36.717   13.820 11.95449 23.32928 
1 1 1  -79    3   12 o   85.681   12.666  3177.80  854.634  3825.56  1423.07  2812.38  1068.85   90.520   19.904   78.570   17.229 11.94964 26.32450 
1 1 1  -79    3   13 o   17.223   8.6993 -1889.7220  582.989   15.041  1010.36 -2840.4150  713.802   39.056   17.007  ?   ?  0.000000 17.00717 
1 1 1  -79    3   14 o   59.111   16.507  1630.33  822.672  642.601  1239.87  2407.19  1099.59   47.824   19.725   70.691   18.822 -22.86662 27.26482 
1 1 1  -79    3   15 o  109.416   13.318  5345.29  1158.81  5231.79  1741.38  5435.51  1552.45  100.962   21.874  105.963   18.729 -5.000854 28.79660 
1 1 1  -79    3   16 o   41.246   16.460  596.972  830.945  2001.66  1259.01 -487.1656  1106.06   61.469   21.001   35.269   16.325 26.19989 26.59985 
1 1 1  -79    3   17 o   67.648   18.223  2421.36  1023.39  5928.75  1694.30  406.694  1284.10  104.085   20.776   43.032   18.943 61.05307 28.11532 
1 1 1  -79    3   18 o   43.914   18.299  870.521  1082.77 -64.1295  1657.67  1566.04  1429.97   41.413   19.438   51.454   21.198 -10.04117 28.76114 
1 1 1  -79    3   19 o   39.733   17.723  601.586  1161.39  1322.95  1771.72   58.072  1537.89   46.243   21.132   38.762   18.355 7.481014 27.99022 
1 1 1  -79    5    1 o  248.152   13.453 25559.60  2700.47 24072.19  3044.55 31046.80  5847.68  239.845   15.720  264.764   27.607 -24.91917 31.76921 
1 1 1  -79    5    2 o  130.791   11.061  7087.79  1163.66  6571.38  1231.80 11371.62  3547.78  125.616   12.232  158.428   28.633 -32.81278 31.13666 
1 1 1  -79    5    3 o   39.000   12.616  611.865  455.676  616.020  460.881  431.069  3040.37   39.153   12.690   69.816   29.944 -30.66331 32.52241 
1 1 1  -79    5    4 o  182.395   12.961 13852.40  1907.08 13105.61  2041.78 18958.59  5338.99  176.891   14.339  200.531   34.005 -23.64008 36.90427 
1 1 1  -79    5    5 o  224.947   12.177 21006.72  2215.84 15764.84  3202.68 25819.98  3068.94  190.557   21.050  247.907   15.321 -57.34988 26.03583 
1 1 1  -79    5    6 o   49.140   10.819  1034.79  419.987   0.0000   0.0000  1034.79  419.987  ?   ?    49.140   10.819 0.000000 10.81886 
1 1 1  -79    5    7 o  130.718   9.2700  7066.28  977.520  8514.86  1636.21  6262.28  1218.97  141.827   14.408  122.099   12.470 19.72782 19.05547 
1 1 1  -79    5    8 o  118.307   9.5814  5811.29  912.500  5009.42  1528.94  6254.94  1137.25  106.688   18.309  122.154   11.605 -15.46610 21.67733 
1 1 1  -79    5    9 o  163.424   10.995 11152.81  1450.46 11073.70  2254.94 11208.65  1894.38  159.401   17.722  162.175   14.541 -2.774734 22.92397 
1 1 1  -79    5   10 o  127.804   10.354  6835.05  1065.24  6337.06  1735.72  7135.96  1349.21  119.263   18.525  129.518   13.005 -10.25562 22.63447 
1 1 1  -79    5   11 o   96.260   10.941  3924.85  839.952  5309.80  1411.93  3166.24  1044.97  109.625   16.363   84.436   15.823 25.18853 22.76262 
1 1 1  -79    5   12 o   15.224   7.6016 -1012.0570  384.722  939.864  977.881 -1369.5081  418.469   49.453   18.328   14.617   7.3816 34.83609 19.75832 
1 1 1  -79    5   13 o   73.108   13.411  2368.69  766.738  3969.99  1311.85  1537.87  944.939   92.428   18.128   57.812   18.107 34.61605 25.62155 
1 1 1  -79    5   14 o  100.901   12.341  4453.62  990.027  4694.11  1659.40  4320.71  1233.64   96.958   21.628   96.943   16.247 0.1501465E-01 27.05074 
1 1 1  -79    5   15 o   28.213   12.768 -238.0211  627.621  464.212  1254.40 -472.5208  724.877   45.369   19.340   28.412   13.174 16.95711 23.40099 
1 1 1  -79    5   16 o   64.731   16.652  2071.00  880.229  1900.05  1568.67  2149.56  1063.43   59.596   22.957   64.352   19.025 -4.755692 29.81610 
1 1 1  -79    5   17 o   40.617   16.909  554.844  923.144  1511.94  1574.60   53.591  1139.52   53.508   22.163   38.509   17.337 14.99947 28.13805 
1 1 1  -79    5   18 o   34.370   15.641 -23.3976  957.930 -1974.1080  1654.41  960.445  1174.92   33.628   16.612   44.883   18.906 -11.25528 25.16742 
1 1 1  -79    5   19 o   34.242   15.976 -50.8321  1091.98  1702.70  1823.56 -1031.1420  1363.47   47.746   21.671   32.246   15.757 15.49969 26.79357 
1 1 1  -79    7    1 o  244.675   32.669 27568.70  6328.18   0.0000   0.0000 27568.70  6328.18  ?   ?   244.675   32.669 0.000000 32.66912 
1 1 1  -79    7    2 o   79.797   31.829  1966.47  3105.71   0.0000   0.0000  1966.47  3105.71  ?   ?    79.797   31.829 0.000000 31.82896 
1 1 1  -79    7    3 o   59.012   15.093  1508.30  726.052  1288.52  741.851  6504.09  3536.89   54.836   15.799  116.338   34.767 -61.50245 38.18810 
1 1 1  -79    7    4 o  201.681   13.586 16985.38  2211.91 14184.39  2401.00 32696.22  5686.40  183.084   16.322  270.904   26.178 -87.82007 30.84940 
1 1 1  -79    7    5 f  109.261   13.736  5047.02  1191.67  5189.03  1228.81  2803.12  4884.48  110.733   13.978   93.613   38.926 17.12031 41.35931 
1 1 1  -79    7    6 o   46.809   9.6194  934.282  353.385  867.867  733.733  954.341  403.234   46.930   16.032   47.152   10.769 -0.2214317 19.31298 
1 1 1  -79    7    7 o   39.797   10.522  678.374  345.179   0.0000   0.0000  678.374  345.179  ?   ?    39.797   10.522 0.000000 10.52186 
1 1 1  -79    7    8 o  152.299   10.242  9643.81  1259.17  9973.95  2059.59  9446.76  1591.18  151.866   16.994  149.559   13.240 2.307373 21.54256 
1 1 1  -79    7    9 o   54.612   10.355  1276.79  442.376  1625.31  971.227  1185.56  496.915   60.615   18.242   52.256   11.969 8.359142 21.81797 
1 1 1  -79    7   10 o  100.133   9.9694  4206.17  799.779  4927.33  1412.06  3865.56  970.444  105.456   17.075   94.919   12.928 10.53679 21.41665 
1 1 1  -79    7   11 o  143.246   11.052  8657.70  1275.56  8007.12  2058.21  9063.40  1625.32  132.503   19.733  144.981   13.980 -12.47841 24.18292 
1 1 1  -79    7   12 o  108.193   11.078  4984.50  959.492  4891.21  1616.88  5035.21  1192.08  102.001   20.237  107.299   14.018 -5.298271 24.61765 
1 1 1  -79    7   13 o  164.392   12.435 11666.88  1647.54  9656.42  2512.96 13182.53  2181.91  140.175   22.867  171.719   15.827 -31.54347 27.81026 
1 1 1  -79    7   14 o   94.343   13.634  3974.54  1014.14  4371.68  1577.16  3694.58  1324.21   93.350   21.281   87.174   19.225 6.175812 28.67844 
1 1 1  -79    7   15 o   74.147   15.186  2577.67  883.530  670.682  1401.88  3834.29  1137.99   48.379   20.529   90.112   16.146 -41.73263 26.11807 
1 1 1  -79    7   16 o   29.567   13.264 -136.8214  660.420  210.812  1308.44 -255.6612  765.020   42.549   18.906   30.640   13.957 11.90839 23.49974 
1 1 1  -79    7   17 o  115.958   14.351  6472.86  1322.39  3282.04  2194.58  8291.87  1656.98   65.721   26.565  128.698   16.217 -62.97672 31.12384 
1 1 1  -79    7   18 o   37.170   16.468  315.775  985.619  128.726  1824.23  392.888  1171.30   42.420   20.058   39.484   17.692 2.935902 26.74557 
1 1 1  -79    7   19 o   31.928   14.685   13.571  874.722   88.424  1681.41 -14.2047  1024.23   38.655   18.547   33.387   15.542 5.267593 24.19800 
1 1 1  -79    9    1 o  159.782   33.777 12136.54  4245.03   0.0000   0.0000 12136.54  4245.03  ?   ?   159.782   33.777 0.000000 33.77657 
1 1 1  -79    9    2 o  134.657   38.583  9080.17  4435.18   0.0000   0.0000  9080.17  4435.18  ?   ?   134.657   38.583 0.000000 38.58264 
1 1 1  -79    9    3 f   62.289   28.797 -1915.9100  3425.63   0.0000   0.0000 -1915.9100  3425.63  ?   ?    62.289   28.797 0.000000 28.79682 
1 1 1  -79    9    4 o  169.004   44.813 15430.00  6249.57   0.0000   0.0000 15430.00  6249.57  ?   ?   169.004   44.813 0.000000 44.81276 
1 1 1  -79    9    5 o   62.749   14.725  1714.39  737.328  1683.22  748.915  2698.32  4207.76   62.132   15.013   89.075   36.491 -26.94276 39.45873 
1 1 1  -79    9    6 o   30.182   13.184 -101.9089  611.487 -205.7094  614.995  8919.93  5733.49   29.097   12.944  126.160   44.706 -97.06274 46.54247 
1 1 1  -79    9    7 o   62.833   17.882  1744.09  955.950  1358.32  968.340 16530.62  5995.09   56.607   18.397  172.036   43.028 -115.4288 46.79620 
1 1 1  -79    9    8 o   18.457   8.1393 -67.6757  238.049   0.0000   0.0000 -67.6757  238.049  ?   ?    18.457   8.1393 0.000000 8.139296 
1 1 1  -79    9    9 o  102.520   9.3882  4386.74  772.822  3622.16  1469.99  4678.79  908.509   88.638   20.785  105.466   10.760 -16.82870 23.40496 
1 1 1  -79    9   10 o  130.532   10.249  7144.91  1077.51  7436.45  1886.66  7003.79  1312.65  128.755   18.584  128.109   12.790 0.6456451 22.56026 
1 1 1  -79    9   11 o   32.074   12.684  265.710  489.281  256.543  1030.51  268.379  555.941   42.060   17.711   33.541   13.436 8.518372 22.23057 
1 1 1  -79    9   12 o   84.250   12.000  3075.01  797.688  3172.84  1469.12  3034.11  949.907   80.481   21.898   82.431   14.733 -1.950485 26.39310 
1 1 1  -79    9   13 o  197.690   13.828 17161.83  2205.72 15279.53  3415.42 18508.59  2888.98  172.680   25.094  200.303   17.954 -27.62300 30.85500 
1 1 1  -79    9   14 o   37.645   14.535  484.626  629.936 -48.7928  1390.51  622.370  706.604   43.223   19.328   40.830   15.485 2.392761 24.76621 
1 1 1  -79    9   15 o   66.929   17.222  2210.71  941.337  1947.41  1542.33  2367.02  1188.34   60.821   22.923   67.262   20.164 -6.440376 30.52920 
1 1 1  -79    9   16 o   43.979   17.490  792.815  935.156 -2270.6931  1544.37  2566.40  1175.08   32.936   16.229   68.481   19.929 -35.54493 25.70087 
1 1 1  -79    9   17 o   61.537   18.337  2116.45  984.984  2252.69  1717.40  2049.67  1202.40   57.950   23.474   58.371   20.494 -0.4210052 31.16084 
1 1 1  -79    9   18 o   38.400   16.575  546.358  942.958  2279.41  1687.92 -239.8918  1136.91   54.136   22.724   34.300   16.099 19.83664 27.84888 
1 1 1  -79    9   19 o   45.481   18.041  1402.20  992.769  1641.65  1953.62  1318.84  1152.70   44.821   21.058   43.933   18.628 0.8884583 28.11446 
1 1 1  -79   11    1 o  266.455   35.819 34126.59  7553.30   0.0000   0.0000 34126.59  7553.30  ?   ?   266.455   35.819 0.000000 35.81922 
1 1 1  -79   11    2 o  197.464   38.078 19372.46  5883.96   0.0000   0.0000 19372.46  5883.96  ?   ?   197.464   38.078 0.000000 38.07826 
1 1 1  -79   11    3 o  213.117   39.762 23027.80  6627.57   0.0000   0.0000 23027.80  6627.57  ?   ?   213.117   39.762 0.000000 39.76249 
1 1 1  -79   11    4 o   77.436   35.108 -667.4991  4769.69   0.0000   0.0000 -667.4991  4769.69  ?   ?    77.436   35.108 0.000000 35.10834 
1 1 1  -79   11    5 o   96.096   40.614  3252.77  5451.76   0.0000   0.0000  3252.77  5451.76  ?   ?    96.096   40.614 0.000000 40.61436 
1 1 1  -79   11    6 o   50.502   17.914  983.667  920.807  902.004  931.532  4469.08  6085.74   49.417   17.957  102.005   43.000 -52.58800 46.59934 
1 1 1  -79   11    7 o  116.272   19.122  6006.85  1742.50  4948.07  1800.12 21755.55  6942.55  103.894   22.023  193.586   45.019 -89.69245 50.11691 
1 1 1  -79   11    8 o   90.037   9.2688  3386.96  667.932  1592.97  1376.24  3939.74  763.937   61.817   21.903   97.011   9.8343 -35.19365 24.00982 
1 1 1  -79   11    9 o  161.043   11.808 10945.19  1533.22  7792.82  2613.98 12598.52  1893.06  126.579   26.293  171.740   13.689 -45.16124 29.64273 
1 1 1  -79   11   10 o   26.480   10.770  128.663  363.178 -115.0893  1048.23  161.915  387.158   38.935   17.128   27.772   11.182 11.16349 20.45495 
1 1 1  -79   11   11 o   67.386   12.060  1980.20  635.638  1552.41  1313.74  2110.96  726.312   59.582   21.369   69.107   13.428 -9.525608 25.23787 
1 1 1  -79   11   12 o  155.366   12.129 10394.18  1517.95  8711.88  2566.78 11298.99  1882.41  130.824   25.076  159.971   14.655 -29.14714 29.04460 
1 1 1  -79   11   13 o  124.828   11.724  6759.68  1174.42  5068.02  2159.20  7470.41  1399.55   95.363   26.782  129.992   13.454 -34.62932 29.97191 
1 1 1  -79   11   14 o   86.404   12.998  3355.51  883.633  2632.49  1804.31  3583.63  1013.49   68.808   24.993   88.239   14.660 -19.43050 28.97572 
1 1 1  -79   11   15 o  112.901   14.089  5899.24  1263.43  3083.36  2273.87  7156.82  1519.58   68.880   27.310  122.852   15.584 -53.97124 31.44380 
1 1 1  -79   11   16 o   99.459   16.416  4950.49  1279.46  3200.94  2302.18  5732.39  1539.04   65.564   26.941  104.073   18.909 -38.50852 32.91472 
1 1 1  -79   11   17 o   97.249   9.2879  4213.58  724.488  2977.13  2165.78  4369.38  768.777   59.703   25.431   98.629   9.7263 -38.92616 27.22747 
1 1 1  -79   11   18 o   38.544   12.195  744.822  427.567  682.187  1894.15  748.185  438.895   42.941   20.344   38.568   12.371 4.372593 23.81044 
1 1 1  -79   13    1 o   45.850   22.484 -4997.0278  2852.19   0.0000   0.0000 -4997.0278  2852.19  ?   ?    45.850   22.484 0.000000 22.48440 
1 1 1  -79   13    2 o  240.677   41.988 30241.24  7906.98   0.0000   0.0000 30241.24  7906.98  ?   ?   240.677   41.988 0.000000 41.98821 
1 1 1  -79   13    3 f  124.984   43.868  8623.85  5509.24   0.0000   0.0000  8623.85  5509.24  ?   ?   124.984   43.868 0.000000 43.86795 
1 1 1  -79   13    4 o  163.804   47.419 15871.07  6668.47   0.0000   0.0000 15871.07  6668.47  ?   ?   163.804   47.419 0.000000 47.41918 
1 1 1  -79   13    5 o  179.305   49.559 19822.12  7455.86   0.0000   0.0000 19822.12  7455.86  ?   ?   179.305   49.559 0.000000 49.55881 
1 1 1  -79   13    6 o  103.512   43.236  5290.23  6065.06   0.0000   0.0000  5290.23  6065.06  ?   ?   103.512   43.236 0.000000 43.23644 
1 1 1  -79   13    7 o   43.556   18.837   27.054  1222.68 -284.1321  1237.69 12619.15  7873.22   41.271   18.361  131.299   51.192 -90.02850 54.38540 
1 1 1  -79   13    8 o   49.716   18.972  851.749  1064.84  851.749  1064.84   0.0000   0.0000   49.716   18.972  ?   ?  0.000000 18.97216 
1 1 1  -79   13    9 o   60.804   11.906  1607.77  566.756   0.0000   0.0000  1607.77  566.756  ?   ?    60.804   11.906 0.000000 11.90562 
1 1 1  -79   13   10 o   32.539   11.562  396.042  383.702  1450.65  1357.28  304.438  400.020   58.737   21.625   30.841   11.662 27.89536 24.56914 
1 1 1  -79   13   11 o  101.303   10.246  4362.13  831.163  5717.07  1881.35  4033.55  926.480  108.252   22.151   96.543   12.084 11.70892 25.23211 
1 1 1  -79   13   12 o   71.113   11.867  2221.63  661.071  2639.49  1848.35  2160.33  707.896   71.263   25.369   69.600   13.004 1.662918 28.50836 
1 1 1  -79   13   13 f  155.833   12.653 10695.66  1587.18  9506.10  2946.27 11182.02  1883.91  127.330   29.129  156.974   14.962 -29.64357 32.74671 
1 1 1  -79   13   14 o   51.105   15.816  1247.95  723.414  487.142  1649.97  1429.01  804.903   48.575   21.424   54.192   16.668 -5.617085 27.14454 
1 1 1  -79   13   15 o   40.486   10.993  749.911  370.701 -901.4902  1947.80  811.974  377.603   42.476   20.267   42.113   10.943 0.3628349 23.03251 
1 1 1  -79   13   16 o   61.525   9.9642  1709.24  480.750 -1438.4050  2236.91  1861.67  492.253   41.181   20.135   64.411   9.7140 -23.22998 22.35597 
1 1 1  -79   13   17 o   55.707   12.198  1520.56  536.435 -220.9208  2453.77  1607.97  549.733   43.407   21.194   57.345   12.182 -13.93814 24.44614 
1 1 1  -79   13   18 o   28.936   11.881  292.964  447.287 -1503.3730  2522.61  351.272  454.488   37.547   18.851   30.020   12.105 7.526503 22.40298 
1 1 1  -79   15    1 o  256.263   42.294 34951.61  8493.40   0.0000   0.0000 34951.61  8493.40  ?   ?   256.263   42.294 0.000000 42.29422 
1 1 1  -79   15    2 o  284.980   44.167 44394.85  9889.32   0.0000   0.0000 44394.85  9889.32  ?   ?   284.980   44.167 0.000000 44.16722 
1 1 1  -79   15    3 o  144.072   45.566 12337.63  5970.02   0.0000   0.0000 12337.63  5970.02  ?   ?   144.072   45.566 0.000000 45.56578 
1 1 1  -79   15    4 o  150.114   49.419 14588.58  6978.86   0.0000   0.0000 14588.58  6978.86  ?   ?   150.114   49.419 0.000000 49.41883 
1 1 1  -79   15    5 o   70.402   33.504 -3271.1299  5250.73   0.0000   0.0000 -3271.1299  5250.73  ?   ?    70.402   33.504 0.000000 33.50420 
1 1 1  -79   15    6 o  167.212   55.356 21485.50  8752.09   0.0000   0.0000 21485.50  8752.09  ?   ?   167.212   55.356 0.000000 55.35641 
1 1 1  -79   15    7 o  139.992   55.652 17791.43  9465.27   0.0000   0.0000 17791.43  9465.27  ?   ?   139.992   55.652 0.000000 55.65183 
1 1 1  -79   15    8 o   49.971   21.008  461.598  1446.15  448.002  1462.05  1076.74  9834.40   50.051   21.087   91.793   44.251 -41.74212 49.01806 
1 1 1  -79   15    9 o  120.840   11.416  6216.06  1106.82  1534.92  2608.65  7243.77  1222.30   67.381   28.265  130.387   11.669 -63.00671 30.57908 
1 1 1  -79   15   10 o   82.677   10.029  2910.85  659.509  3228.80  1913.31  2867.98  702.566   79.071   25.868   81.740   10.854 -2.668610 28.05311 
1 1 1  -79   15   11 o   98.387   10.772  4157.24  846.451  3227.40  2230.68  4313.64  914.875   76.925   27.813   99.873   11.491 -22.94815 30.09362 
1 1 1  -79   15   12 o   28.580   11.560  185.688  415.882 -4206.7310  1982.23  387.937  425.349   34.540   17.248   32.698   12.094 1.841873 21.06537 
1 1 1  -79   15   13 o   66.152   8.3449  1872.42  438.255  2152.29  2168.53  1860.51  447.489   63.691   26.157   65.847   8.5729 -2.156391 27.52564 
1 1 1  -79   15   14 o   66.636   8.8954  1929.07  469.282  3581.27  2352.31  1860.59  478.909   71.485   27.951   65.229   9.3060 6.255547 29.45953 
1 1 1  -79   15   15 o   65.084   9.3985  1879.01  482.283  5099.88  2566.11  1761.07  491.033   76.860   29.423   62.643   9.9893 14.21669 31.07247 
1 1 1  -79   15   16 o   41.945   11.742  849.453  415.755  5025.92  2357.16  715.352  422.376   72.354   28.066   38.577   12.109 33.77660 30.56690 
1 1 1  -79   15   17 o   25.500   11.001   95.136  414.962 -338.6866  2472.46  107.711  420.933   41.236   20.359   25.815   11.109 15.42024 23.19257 
1 1 1  -79   17    1 o  174.702   44.305 17655.74  6293.90   0.0000   0.0000 17655.74  6293.90  ?   ?   174.702   44.305 0.000000 44.30459 
1 1 1  -79   17    2 o   92.310   38.691  3439.24  4881.50   0.0000   0.0000  3439.24  4881.50  ?   ?    92.310   38.691 0.000000 38.69107 
1 1 1  -79   17    3 o   84.721   37.497  1620.86  5097.95   0.0000   0.0000  1620.86  5097.95  ?   ?    84.721   37.497 0.000000 37.49722 
1 1 1  -79   17    4 o  160.089   53.330 18933.64  8118.45   0.0000   0.0000 18933.64  8118.45  ?   ?   160.089   53.330 0.000000 53.33007 
1 1 1  -79   17    5 o   85.449   39.580  651.869  6517.35   0.0000   0.0000  651.869  6517.35  ?   ?    85.449   39.580 0.000000 39.57972 
1 1 1  -79   17    6 o  136.104   53.684 16417.59  8744.05   0.0000   0.0000 16417.59  8744.05  ?   ?   136.104   53.684 0.000000 53.68413 
1 1 1  -79   17    7 o  100.483   46.072  6580.10  8517.60   0.0000   0.0000  6580.10  8517.60  ?   ?   100.483   46.072 0.000000 46.07215 
1 1 1  -79   17    8 o   59.797   24.394  1196.37  1870.52  1153.46  1908.30  2248.18  9447.69   59.738   24.536   89.168   43.081 -29.42986 49.57782 
1 1 1  -79   17    9 o  122.271   33.753  8902.56  3460.95  8902.56  3460.95   0.0000   0.0000  122.271   33.753  ?   ?  0.000000 33.75299 
1 1 1  -79   17   10 o   46.330   12.552  959.190  483.893  2651.19  2135.09  867.575  496.820   71.606   26.974   44.197   12.986 27.40933 29.93686 
1 1 1  -79   17   11 o   83.160   10.898  3006.82  718.129 -825.4221  2439.17  3370.53  751.434   50.356   23.617   88.204   10.712 -37.84760 25.93307 
1 1 1  -79   17   12 o   66.763   13.130  2035.87  686.395 -373.4955  2306.76  2269.93  718.962   49.901   23.261   70.655   13.012 -20.75313 26.65262 
1 1 1  -79   17   13 o   54.576   9.1580  1306.00  391.453  1781.88  2347.00  1292.39  397.015   59.316   25.872   54.200   9.3596 5.115562 27.51336 
1 1 1  -79   17   14 o   53.700   9.3802  1284.02  394.112 -253.7567  2687.08  1317.82  398.421   48.914   23.463   54.432   9.3516 -5.518440 25.25840 
1 1 1  -79   17   15 o   96.140   8.7168  4069.09  673.060  3087.51  3402.73  4109.06  686.626   57.362   27.203   96.489   8.8631 -39.12671 28.61044 
1 1 1  -79   17   16 o   39.970   13.520  815.538  521.757  2749.61  3306.33  766.145  528.377   51.257   24.933   38.951   13.590 12.30567 28.39621 
1 1 1  -79   19    1 o  105.403   41.477  6347.97  5208.31   0.0000   0.0000  6347.97  5208.31  ?   ?   105.403   41.477 0.000000 41.47748 
1 1 1  -79   19    2 o   82.270   36.817  1426.65  5055.35   0.0000   0.0000  1426.65  5055.35  ?   ?    82.270   36.817 0.000000 36.81668 
1 1 1  -79   19    3 o   80.090   36.911  301.967  5563.69   0.0000   0.0000  301.967  5563.69  ?   ?    80.090   36.911 0.000000 36.91117 
1 1 1  -79   19    4 o  106.455   46.008  7616.27  7283.25   0.0000   0.0000  7616.27  7283.25  ?   ?   106.455   46.008 0.000000 46.00760 
1 1 1  -79   19    5 o   97.357   44.469  5321.96  7834.10   0.0000   0.0000  5321.96  7834.10  ?   ?    97.357   44.469 0.000000 44.46877 
1 1 1  -79   19    6 o  148.607   59.475 26632.47 10881.58   0.0000   0.0000 26632.47 10881.58  ?   ?   148.607   59.475 0.000000 59.47483 
1 1 1  -79   19    7 o   89.086   42.259  3851.81  8222.15   0.0000   0.0000  3851.81  8222.15  ?   ?    89.086   42.259 0.000000 42.25852 
1 1 1  -79   19    8 o   70.990   35.654 -8184.4810  9062.44   0.0000   0.0000 -8184.4810  9062.44  ?   ?    70.990   35.654 0.000000 35.65379 
1 1 1  -79   19    9 o   29.742   14.207 -1080.2020  962.676 -973.0709  966.464 -14666.0996 10883.61   30.445   14.455   67.870   34.610 -37.42560 37.50758 
1 1 1  -79   19   10 o   54.155   25.353 -512.9991  2789.26 -512.9991  2789.26   0.0000   0.0000   54.155   25.353  ?   ?  0.000000 25.35307 
1 1 1  -79   19   11 o   19.807   8.2153   52.358  216.776  765.032  2912.23   48.388  217.380   58.420   26.843   19.739   8.2100 38.68125 28.07006 
1 1 1  -79   19   12 o   32.220   11.988  391.601  419.226  1063.95  2890.17  377.150  423.707   57.244   26.459   31.990   12.023 25.25358 29.06291 
1 1 1  -79   19   13 o   23.846   9.4724  155.356  274.028  1079.12  3005.03  147.610  275.175   54.766   25.849   23.698   9.4673 31.06793 27.52850 
1 1 1  -79   19   14 o   35.594   12.473  574.041  445.293 -377.8932  3302.99  591.663  449.395   48.329   23.798   36.002   12.535 12.32777 26.89748 
1 1 1  -79   19   15 o   55.946   13.716  1613.40  618.250  1124.74  3455.40  1629.56  628.391   48.235   23.862   56.090   13.874 -7.855412 27.60220 
1 1 1  -79   21    1 o   77.239   35.341  701.217  4976.31   0.0000   0.0000  701.217  4976.31  ?   ?    77.239   35.341 0.000000 35.34135 
1 1 1  -79   21    2 o  106.955   44.577  8135.88  6426.88   0.0000   0.0000  8135.88  6426.88  ?   ?   106.955   44.577 0.000000 44.57682 
1 1 1  -79   21    3 o   99.230   44.025  6593.12  7068.87   0.0000   0.0000  6593.12  7068.87  ?   ?    99.230   44.025 0.000000 44.02510 
1 1 1  -79   21    4 f   68.051   33.346 -4825.1030  6236.79   0.0000   0.0000 -4825.1030  6236.79  ?   ?    68.051   33.346 0.000000 33.34620 
1 1 1  -79   21    5 o  117.899   51.791 16528.10  9553.56   0.0000   0.0000 16528.10  9553.56  ?   ?   117.899   51.791 0.000000 51.79086 
1 1 1  -79   21    6 o   81.101   39.449  888.357  8276.26   0.0000   0.0000  888.357  8276.26  ?   ?    81.101   39.449 0.000000 39.44919 
1 1 1  -79   21    7 o   71.160   35.455 -4392.8701  8177.64   0.0000   0.0000 -4392.8701  8177.64  ?   ?    71.160   35.455 0.000000 35.45463 
1 1 1  -79   21    8 o   74.622   37.495 -1823.2810 10082.63   0.0000   0.0000 -1823.2810 10082.63  ?   ?    74.622   37.495 0.000000 37.49512 
1 1 1  -79   21    9 o  ?   ?  -4466.1948  854.313 -4317.8008  856.724 -30722.9395 11396.01  ?   ?    57.723   29.763 0.000000 29.76277 
1 1 1  -79   21   10 o   63.375   10.420  1773.20  517.548 10448.96  3704.97  1600.54  522.672  115.232   35.814   59.796   11.176 55.43539 37.51758 
1 1 1  -79   21   11 o   57.748   11.729  1526.34  531.220  1336.92  4045.76  1529.66  535.859   60.324   28.898   57.764   11.823 2.560703 31.22340 
1 1 1  -79   21   12 o   57.219   27.719  1500.51  3977.48  1500.51  3977.48   0.0000   0.0000   57.219   27.719  ?   ?  0.000000 27.71920 
1 1 1  -79   21   13 o   25.564   10.842   98.852  390.675  9516.17  4096.62   12.420  392.463   78.030   34.104   24.270   10.583 53.75925 35.70868 
1 1 1  -79   21   14 o   55.449   14.103  1605.08  636.451  5792.26  4124.45  1502.94  644.167   57.730   28.027   53.223   14.508 4.507793 31.55989 
1 1 1  -79   23    1 o   75.318   35.523  346.251  5655.73   0.0000   0.0000  346.251  5655.73  ?   ?    75.318   35.523 0.000000 35.52293 
1 1 1  -79   23    2 f  108.362   47.016 11613.16  7666.28   0.0000   0.0000 11613.16  7666.28  ?   ?   108.362   47.016 0.000000 47.01646 
1 1 1  -79   23    3 o   92.944   43.399  7090.55  8084.66   0.0000   0.0000  7090.55  8084.66  ?   ?    92.944   43.399 0.000000 43.39854 
1 1 1  -79   23    4 o  122.021   54.313 24357.47 10844.33   0.0000   0.0000 24357.47 10844.33  ?   ?   122.021   54.313 0.000000 54.31282 
1 1 1  -79   23    5 o  106.832   50.201 20428.79 11110.93   0.0000   0.0000 20428.79 11110.93  ?   ?   106.832   50.201 0.000000 50.20102 
1 1 1  -79   23    6 o   76.290   38.068  745.713  9577.01   0.0000   0.0000  745.713  9577.01  ?   ?    76.290   38.068 0.000000 38.06755 
1 1 1  -79   23    7 o   86.150   42.202 11796.21  9966.96   0.0000   0.0000 11796.21  9966.96  ?   ?    86.150   42.202 0.000000 42.20232 
1 1 1  -79   23    8 o   58.153   29.832 -15636.4805  9310.08   0.0000   0.0000 -15636.4805  9310.08  ?   ?    58.153   29.832 0.000000 29.83221 
1 1 1  -79   23    9 o   88.394   10.291  3429.21  724.800 10273.01  5315.83  3299.56  731.633   88.919   38.857   86.470   10.645 2.449051 40.28862 
1 1 1  -79   23   10 o   51.488   11.012  1211.52  446.435  1201.02  5137.69  1211.59  448.130   59.963   29.556   51.470   11.053 8.493221 31.55549 
1 1 1  -79   23   11 o   19.235   8.7430 -138.5816  298.183  6900.44  3886.18 -180.2684  299.065   73.671   32.666   18.697   8.5948 54.97470 33.77802 
1 1 1  -79   25    1 o   81.114   37.655  4402.07  5946.83   0.0000   0.0000  4402.07  5946.83  ?   ?    81.114   37.655 0.000000 37.65485 
1 1 1  -79   25    2 o   65.798   32.055 -1426.7679  5524.23   0.0000   0.0000 -1426.7679  5524.23  ?   ?    65.798   32.055 0.000000 32.05527 
1 1 1  -79   25    3 o   83.051   39.878  6567.41  7804.53   0.0000   0.0000  6567.41  7804.53  ?   ?    83.051   39.878 0.000000 39.87812 
1 1 1  -79   25    4 o   83.932   41.451 10217.24 10275.28   0.0000   0.0000 10217.24 10275.28  ?   ?    83.932   41.451 0.000000 41.45137 
1 1 1  -79   25    5 o   76.208   38.312  5742.97 10595.24   0.0000   0.0000  5742.97 10595.24  ?   ?    76.208   38.312 0.000000 38.31177 
1 1 1  -79   25    6 o   69.438   35.011  1602.90  9208.16   0.0000   0.0000  1602.90  9208.16  ?   ?    69.438   35.011 0.000000 35.01129 
1 1 1  -79   25    7 o   72.474   37.088 12452.26 13505.06   0.0000   0.0000 12452.26 13505.06  ?   ?    72.474   37.088 0.000000 37.08788 
1 1 1  -79   25    8 o   65.829   33.884  6747.17 13783.38   0.0000   0.0000  6747.17 13783.38  ?   ?    65.829   33.884 0.000000 33.88443 
1 1 1  -79   25    9 o   61.647   31.778  6123.99 12848.86   0.0000   0.0000  6123.99 12848.86  ?   ?    61.647   31.778 0.000000 31.77824 
1 1 1  -79   25   10 o   57.478   29.846  8936.74 16745.88   0.0000   0.0000  8936.74 16745.88  ?   ?    57.478   29.846 0.000000 29.84610 
1 1 1  -79   27    1 o   70.664   35.051  2775.67  7642.53   0.0000   0.0000  2775.67  7642.53  ?   ?    70.664   35.051 0.000000 35.05085 
1 1 1  -79   27    2 o   77.608   38.566  9837.55  9420.71   0.0000   0.0000  9837.55  9420.71  ?   ?    77.608   38.566 0.000000 38.56646 
1 1 1  -79   27    3 o   65.964   33.442 -569.6793  9122.58   0.0000   0.0000 -569.6793  9122.58  ?   ?    65.964   33.442 0.000000 33.44165 
1 1 1  -79   27    4 o   68.904   34.798  4877.33  9308.23   0.0000   0.0000  4877.33  9308.23  ?   ?    68.904   34.798 0.000000 34.79835 
1 1 1  -79   27    5 o   63.783   32.754 -25.9191 11566.25   0.0000   0.0000 -25.9191 11566.25  ?   ?    63.783   32.754 0.000000 32.75402 
1 1 1  -79   27    6 o   64.987   33.480  9813.20 13925.46   0.0000   0.0000  9813.20 13925.46  ?   ?    64.987   33.480 0.000000 33.48019 
1 1 1  -78    0    1 o   61.018   30.097  2332.88  1785.75  2332.88  1785.75   0.0000   0.0000   61.018   30.097   61.018   30.097 0.000000 0.000000 
1 1 1  -78    0    2 o  152.919   32.131 11076.45  3512.99 11076.45  3512.99   0.0000   0.0000  152.919   32.131  152.919   32.131 0.000000 0.000000 
1 1 1  -78    0    3 o   24.658   11.481  362.835  255.502   0.0000   0.0000  362.835  255.502   24.658   11.481   24.658   11.481 -0.000000 0.000000 
1 1 1  -78    0    4 o  144.356   12.830  8733.66  1476.54   0.0000   0.0000  8733.66  1476.54  144.356   12.830  144.356   12.830 -0.000000 0.000000 
1 1 1  -78    0    5 o   37.541   14.705  791.682  428.979  791.682  428.979   0.0000   0.0000   37.541   14.705   37.541   14.705 0.000000 0.000000 
1 1 1  -78    0    6 o   19.039   12.191   23.378  424.294   23.378  424.294   0.0000   0.0000   19.039   12.191   19.039   12.191 0.000000 0.000000 
1 1 1  -78    0    7 o  329.396   25.257 46550.47  6663.79   0.0000   0.0000 46550.47  6663.79  329.396   25.257  329.396   25.257 -0.000000 0.000000 
1 1 1  -78    0    8 o  293.890   23.016 36920.75  5414.75   0.0000   0.0000 36920.75  5414.75  293.890   23.016  293.890   23.016 -0.000000 0.000000 
1 1 1  -78    0    9 o  161.568   15.887 11087.10  2037.91 11087.10  2037.91   0.0000   0.0000  161.568   15.887  161.568   15.887 0.000000 0.000000 
1 1 1  -78    0   10 o   17.045   11.969 -679.7491  635.134   0.0000   0.0000 -679.7491  635.134   17.045   11.969   17.045   11.969 -0.000000 0.000000 
1 1 1  -78    0   11 o   94.093   18.239  4055.64  1242.96  4055.64  1242.96   0.0000   0.0000   94.093   18.239   94.093   18.239 0.000000 0.000000 
1 1 1  -78    0   12 o   59.530   22.602  2010.01  1026.41   0.0000   0.0000  2010.01  1026.41   59.530   22.602   59.530   22.602 -0.000000 0.000000 
1 1 1  -78    0   13 o  112.213   18.507  5667.21  1548.31  5667.21  1548.31   0.0000   0.0000  112.213   18.507  112.213   18.507 0.000000 0.000000 
1 1 1  -78    0   14 f  188.678   19.307 15512.75  2886.82   0.0000   0.0000 15512.75  2886.82  188.678   19.307  188.678   19.307 -0.000000 0.000000 
1 1 1  -78    0   15 f   75.013   26.318  3171.38  1453.01   0.0000   0.0000  3171.38  1453.01   75.013   26.318   75.013   26.318 -0.000000 0.000000 
1 1 1  -78    0   16 o   28.669   19.034 -203.9438  1177.69   0.0000   0.0000 -203.9438  1177.69   28.669   19.034   28.669   19.034 -0.000000 0.000000 
1 1 1  -78    0   17 o   41.125   24.230  993.430  1379.05  993.430  1379.05   0.0000   0.0000   41.125   24.230   41.125   24.230 0.000000 0.000000 
1 1 1  -78    0   18 o   28.793   19.398 -350.3376  1305.25 -350.3376  1305.25   0.0000   0.0000   28.793   19.398   28.793   19.398 0.000000 0.000000 
1 1 1  -78    0   19 o   32.209   20.606  312.111  1209.00  312.111  1209.00   0.0000   0.0000   32.209   20.606   32.209   20.606 0.000000 0.000000 
1 1 1  -78    0   20 f   21.781   15.687 -2051.7410  1378.97   0.0000   0.0000 -2051.7410  1378.97   21.781   15.687   21.781   15.687 -0.000000 0.000000 
1 1 1  -78    2    1 o  101.994   8.8975  4286.74  729.475  4336.79  771.470  3864.21  2241.56  102.510   9.3723   93.194   27.638 9.315712 29.18413 
1 1 1  -78    2    2 o  103.742   9.6110  4445.48  800.387  4672.87  838.763  2129.76  2676.70  106.343   9.8249   78.721   30.071 27.62186 31.63487 
1 1 1  -78    2    3 o  211.648   20.506 19120.82  3479.72 15824.28  4840.11 22647.54  5006.24  185.142   33.427  226.085   27.860 -40.94362 43.51503 
1 1 1  -78    2    4 o  124.584   10.766  6426.54  1078.40  4260.15  3256.63  6693.35  1142.88   98.237   33.770  127.064   11.192 -28.82724 35.57602 
1 1 1  -78    2    5 o  285.980   12.752 33839.44  2961.21 34427.05  4205.05 33261.37  4170.72  285.141   18.258  280.140   18.439 5.000977 25.94902 
1 1 1  -78    2    6 o  419.442   22.251 76162.09  7551.14 72490.91 10753.60 79733.01 10605.78  393.373   34.002  416.361   31.607 -22.98773 46.42353 
1 1 1  -78    2    7 o  298.403   15.988 37566.84  3859.82 37781.79  5532.01 37362.93  5388.05  293.036   23.446  291.898   22.917 1.138184 32.78632 
1 1 1  -78    2    8 o   31.569   11.820  314.910  408.806  791.513  740.946  106.334  490.163   45.671   16.083   29.810   12.358 15.86139 20.28278 
1 1 1  -78    2    9 o  120.269   9.7386  6010.02  942.854  6511.18  1424.51  5619.31  1257.79  123.578   14.471  114.969   13.746 8.609581 19.95903 
1 1 1  -78    2   10 o   51.057   12.891  1135.99  534.513  1396.58  841.260  959.570  692.189   56.512   16.971   47.915   15.554 8.597023 23.02021 
1 1 1  -78    2   11 o  106.929   10.624  4809.40  910.220  4151.60  1377.17  5319.64  1212.91   96.076   18.322  111.281   13.714 -15.20473 22.88616 
1 1 1  -78    2   12 o  115.054   11.477  5618.50  1057.88  6656.97  1571.44  4757.86  1430.59  122.882   16.140  102.740   17.793 20.14231 24.02308 
1 1 1  -78    2   13 o   59.577   15.822  1612.89  778.260  1772.96  1170.97  1486.24  1041.60   62.019   20.235   57.534   19.099 4.484482 27.82481 
1 1 1  -78    2   14 o   66.827   15.819  2056.32  845.035  2484.17  1302.21  1745.10  1110.64   71.130   21.059   60.839   19.697 10.29164 28.83521 
1 1 1  -78    2   15 o   81.932   42.668 -1737.4110 72169.98 -1737.4110 72169.98   0.0000   0.0000   81.932   42.668  ?   ?  0.000000 42.66817 
1 1 1  -78    2   16 o   20.061   9.9588 -1386.6060  621.965 -2192.0901  822.409 -310.3561  950.641   21.526   10.801   34.105   15.544 -12.57916 18.92815 
1 1 1  -78    2   17 o   45.505   17.736  897.725  944.733  1526.46  1338.45  273.476  1333.67   54.395   21.135   42.971   19.091 11.42445 28.48091 
1 1 1  -78    2   18 o   46.911   18.603  1097.91  1055.27  1291.99  1518.51  916.652  1467.54   50.090   21.314   46.937   20.466 3.153172 29.54928 
1 1 1  -78    2   19 o   23.067   11.602 -2302.4939  977.188 -3509.1680  1478.77 -1367.1180  1301.96   27.059   13.690   30.940   15.176 -3.880608 20.43843 
1 1 1  -78    2   20 o   30.049   14.598 -714.7745  1123.95 -1971.7760  1744.31  177.656  1469.75   31.710   15.886   36.968   17.630 -5.257803 23.73096 
1 1 1  -78    4    1 o  175.834   12.427 12803.91  1762.78 13974.22  1937.68  7185.10  4245.75  183.540   13.088  123.051   38.355 60.48866 40.52610 
1 1 1  -78    4    2 o   33.865   10.565  467.462  322.060  467.462  322.060   0.0000   0.0000   33.865   10.565  ?   ?  0.000000 10.56480 
1 1 1  -78    4    3 o   47.662   11.833  972.457  455.811  972.457  455.811   0.0000   0.0000   47.662   11.833  ?   ?  0.000000 11.83284 
1 1 1  -78    4    4 o  107.183   11.266  4780.57  965.774  4742.03  996.551  5375.74  3916.26  106.644   11.701  108.026   37.038 -1.381790 38.84239 
1 1 1  -78    4    5 o  344.307   15.084 49465.16  4216.86 45740.72  6004.21 53090.38  5923.69  324.752   22.917  351.904   20.824 -27.15228 30.96521 
1 1 1  -78    4    6 o   83.389   8.1692  2874.75  546.027  2995.54  987.841  2821.60  655.220   83.450   15.136   82.235   10.020 1.214767 18.15235 
1 1 1  -78    4    7 o   60.622   9.3243  1544.79  444.263  1471.22  827.023  1574.63  526.712   58.248   16.652   60.832   11.071 -2.584469 19.99626 
1 1 1  -78    4    8 o   60.128   10.460  1535.09  492.116 -23.6003  908.533  2182.29  585.436   37.784   16.290   71.999   10.308 -34.21471 19.27729 
1 1 1  -78    4    9 o   62.125   11.415  1651.93  554.575  1394.29  1021.18  1759.70  660.454   57.426   18.904   63.716   13.200 -6.290169 23.05641 
1 1 1  -78    4   10 o   41.238   13.182  705.711  498.592  761.791  877.127  678.940  606.024   46.540   17.336   41.824   14.557 4.715664 22.63709 
1 1 1  -78    4   11 o   29.350   12.246   96.451  485.745  264.482  862.344   18.359  587.881   39.621   16.405   30.851   13.198 8.770182 21.05511 
1 1 1  -78    4   12 o   76.208   12.315  2512.78  736.034  1147.98  1200.99  3333.73  931.459   54.344   20.277   87.504   13.548 -33.15996 24.38659 
1 1 1  -78    4   13 o  134.959   11.565  7772.27  1255.03  8780.25  1994.61  7111.67  1614.74  138.881   18.120  126.250   16.120 12.63072 24.25234 
1 1 1  -78    4   14 o   27.391   12.540 -352.3988  627.620  1164.09  998.214 -1343.8180  807.111   51.972   18.629   25.014   12.201 26.95819 22.26841 
1 1 1  -78    4   15 o   45.605   16.880  851.855  828.966  1189.96  1438.89  683.886  1014.19   54.264   21.658   45.234   18.138 9.030682 28.25026 
1 1 1  -78    4   16 o   86.746   14.775  3505.71  1003.35  3416.45  1683.54  3554.87  1249.50   77.175   24.168   84.146   18.766 -6.971413 30.59789 
1 1 1  -78    4   17 o   98.136   16.164  4718.91  1243.16  4147.44  1947.80  5111.69  1614.83   79.138   26.111   96.399   21.207 -17.26024 33.63776 
1 1 1  -78    4   18 f   43.213   17.177  862.532  901.714  349.944  1651.47  1080.26  1076.31   43.992   20.213   46.524   18.675 -2.532177 27.51967 
1 1 1  -78    4   19 o   39.700   17.647  562.278  1140.96  964.757  1782.65  282.995  1484.97   44.973   20.785   40.042   18.664 4.931358 27.93504 
1 1 1  -78    4   20 o   22.816   11.560 -2685.0239  1079.64 -2083.3230  1725.27 -3072.3140  1384.16   31.074   15.599   25.701   13.029 5.372368 20.32494 
1 1 1  -78    6    1 o  323.806   34.610 48220.12  8958.71   0.0000   0.0000 48220.12  8958.71  ?   ?   323.806   34.610 0.000000 34.61006 
1 1 1  -78    6    2 o  188.743   12.262 14755.74  1868.93 12607.69  2052.73 25164.80  4518.72  173.635   14.698  241.034   23.383 -67.39850 27.61846 
1 1 1  -78    6    3 o  171.566   12.994 12242.92  1796.67 11561.49  1936.03 16471.74  4822.91  166.210   14.490  188.582   32.681 -22.37245 35.74958 
1 1 1  -78    6    4 o  148.047   13.002  9143.57  1547.16  9316.00  1633.66  7643.31  4818.76  149.251   13.631  124.154   41.074 25.09669 43.27666 
1 1 1  -78    6    5 o  178.979   14.601 13443.00  2103.42 12909.15  2279.33 16506.43  5460.14  174.690   16.256  183.236   37.948 -8.546249 41.28300 
1 1 1  -78    6    6 o   59.427   8.9432  1481.02  418.166  829.446  854.296  1686.33  479.542   47.747   17.220   63.348   9.6259 -15.60091 19.72793 
1 1 1  -78    6    7 o   82.769   10.133  2865.41  666.769   0.0000   0.0000  2865.41  666.769  ?   ?    82.769   10.133 0.000000 10.13299 
1 1 1  -78    6    8 o   80.962   8.8563  2727.91  572.703  2319.66  1079.13  2887.98  675.712   72.162   18.370   83.000   10.244 -10.83805 21.03308 
1 1 1  -78    6    9 o  165.866   11.058 11482.46  1480.71 10603.66  2318.22 12088.05  1924.42  155.489   18.740  168.751   14.176 -13.26283 23.49745 
1 1 1  -78    6   10 o   59.142   11.912  1513.14  552.275  1151.54  1074.38  1643.00  643.853   53.954   19.328   61.322   13.313 -7.367695 23.46880 
1 1 1  -78    6   11 o  175.213   12.186 12991.00  1722.93 10897.17  2663.88 14496.78  2259.05  153.656   21.977  183.013   15.344 -29.35730 26.80375 
1 1 1  -78    6   12 o   84.551   11.952  3076.12  797.660  1015.07  1450.57  3969.48  955.012   54.956   21.805   95.969   12.557 -41.01265 25.16253 
1 1 1  -78    6   13 o  195.544   13.371 16551.31  2110.30 14919.51  3169.26 17851.12  2828.55  175.864   22.726  198.571   17.730 -22.70682 28.82380 
1 1 1  -78    6   14 o   99.370   13.747  4382.86  1079.47  2975.07  1677.51  5377.79  1410.24   75.539   24.182  108.277   16.568 -32.73774 29.31280 
1 1 1  -78    6   15 o   97.091   13.030  4205.27  1001.26  3935.65  1722.13  4342.95  1230.64   85.122   23.923   96.374   16.308 -11.25182 28.95270 
1 1 1  -78    6   16 o   29.980   13.349 -103.2968  655.754 -1895.1610  1351.01  448.961  750.030   32.073   15.675   38.271   15.509 -6.198849 22.05041 
1 1 1  -78    6   17 o   22.991   11.367 -1493.8910  779.914 -857.3640  1411.59 -1773.5811  935.702   36.613   17.409   24.979   12.368 11.63468 21.35486 
1 1 1  -78    6   18 o   48.012   18.653  1247.83  1042.52  3045.18  1795.30  333.412  1280.54   63.525   24.535   40.689   18.342 22.83642 30.63348 
1 1 1  -78    6   19 o   45.187   17.895  1210.89  975.145  812.607  1763.47  1386.31  1170.36   43.458   20.284   46.783   19.215 -3.325779 27.94009 
1 1 1  -78    8    1 o  161.651   33.620 12266.13  4269.03   0.0000   0.0000 12266.13  4269.03  ?   ?   161.651   33.620 0.000000 33.62015 
1 1 1  -78    8    2 o  215.184   33.705 21569.02  5695.70   0.0000   0.0000 21569.02  5695.70  ?   ?   215.184   33.705 0.000000 33.70524 
1 1 1  -78    8    3 o   70.033   30.869 -184.8725  3420.16   0.0000   0.0000 -184.8725  3420.16  ?   ?    70.033   30.869 0.000000 30.86886 
1 1 1  -78    8    4 f  165.536   14.774 11519.46  1964.96  9399.75  2111.20 25248.75  5372.99  148.196   17.908  236.085   28.614 -87.88916 33.75562 
1 1 1  -78    8    5 o  104.027   13.602  4575.56  1121.42  4456.20  1152.75  6682.47  4843.08  102.446   14.243  115.888   41.086 -13.44215 43.48494 
1 1 1  -78    8    6 o   28.360   12.162 -14.9623  501.472  -9.9581  503.734 -568.2404  5296.74   28.493   12.204   81.613   37.000 -53.12016 38.96102 
1 1 1  -78    8    7 o  129.598   10.206  6976.99  1065.32  3930.64  1762.63  8730.23  1337.19   92.560   23.431  144.645   11.480 -52.08543 26.09220 
1 1 1  -78    8    8 o  117.899   9.1686  5763.67  870.802  6138.12  1489.42  5569.20  1073.37  119.370   15.752  115.149   11.640 4.221947 19.58575 
1 1 1  -78    8    9 o  114.500   9.9365  5469.87  914.642  3168.45  1538.31  6728.38  1137.56   82.660   22.373  126.648   11.177 -43.98780 25.00960 
1 1 1  -78    8   10 o  133.580   10.474  7473.82  1126.96  5771.30  1877.92  8432.04  1408.85  111.927   21.444  141.077   12.426 -29.15086 24.78421 
1 1 1  -78    8   11 o  116.589   10.482  5724.15  981.656  4392.37  1639.45  6468.49  1225.66   96.663   21.449  123.128   12.430 -26.46486 24.79010 
1 1 1  -78    8   12 o   70.205   13.367  2172.52  734.138  701.599  1227.86  2990.93  915.876   49.230   19.881   82.292   14.221 -33.06179 24.44362 
1 1 1  -78    8   13 o   50.644   14.457  1154.29  623.852  1569.03  1151.61  982.032  742.187   58.581   20.085   47.726   16.125 10.85477 25.75686 
1 1 1  -78    8   14 o   82.533   14.754  3096.05  952.417  1996.77  1500.13  3838.37  1232.74   63.730   22.837   90.323   17.440 -26.59278 28.73508 
1 1 1  -78    8   15 o   48.338   16.065  1073.84  736.872  1533.01  1231.47  817.742  919.685   56.437   20.626   45.550   17.569 10.88737 27.09432 
1 1 1  -78    8   16 o   30.617   13.635 -88.6499  684.453 -455.5299  1269.42   61.727  812.709   37.647   17.449   34.578   15.150 3.068813 23.10759 
1 1 1  -78    8   17 o  111.567   14.084  5939.62  1247.45  4454.45  2101.90  6747.17  1549.92   77.676   27.106  115.175   17.092 -37.49906 32.04444 
1 1 1  -78    8   18 o   34.463   15.079  236.513  802.743  621.267  1566.16   99.416  934.885   43.848   19.972   34.887   15.705 8.961334 25.40697 
1 1 1  -78    8   19 o   26.507   10.493  248.905  335.194 -1257.0210  1696.53  310.079  341.934   34.206   16.884   27.923   10.728 6.283085 20.00396 
1 1 1  -78   10    1 o  171.307   35.516 14081.59  4777.92   0.0000   0.0000 14081.59  4777.92  ?   ?   171.307   35.516 0.000000 35.51568 
1 1 1  -78   10    2 o  162.831   38.884 13204.34  5070.12   0.0000   0.0000 13204.34  5070.12  ?   ?   162.831   38.884 0.000000 38.88392 
1 1 1  -78   10    3 o  169.443   38.924 14369.73  5242.60   0.0000   0.0000 14369.73  5242.60  ?   ?   169.443   38.924 0.000000 38.92408 
1 1 1  -78   10    4 o   97.686   38.097  3952.38  4361.16   0.0000   0.0000  3952.38  4361.16  ?   ?    97.686   38.097 0.000000 38.09660 
1 1 1  -78   10    5 o  191.197   43.841 19561.62  6661.01   0.0000   0.0000 19561.62  6661.01  ?   ?   191.197   43.841 0.000000 43.84119 
1 1 1  -78   10    6 o   50.312   15.664  1069.21  708.396  1145.03  713.676 -3997.1941  5834.26   51.770   15.650   74.602   35.449 -22.83237 38.74976 
1 1 1  -78   10    7 o   96.114   16.808  4038.02  1263.98  3945.61  1290.88  6186.27  6223.93   94.748   17.421  109.945   44.634 -15.19663 47.91302 
1 1 1  -78   10    8 o   82.424   10.078  2853.31  660.444   0.0000   0.0000  2853.31  660.444  ?   ?    82.424   10.078 0.000000 10.07822 
1 1 1  -78   10    9 o  121.662   10.059  6184.94  984.788  4146.44  1769.77  7099.23  1185.23   93.782   23.335  129.914   11.350 -36.13147 25.94915 
1 1 1  -78   10   10 o  139.913   10.606  8217.89  1195.92  7218.77  2041.23  8740.09  1475.71  125.490   20.759  143.249   12.823 -17.75955 24.39987 
1 1 1  -78   10   11 o   88.884   10.436  3350.03  738.818  2136.48  1449.55  3775.93  858.732   67.759   22.533   94.026   11.487 -26.26753 25.29180 
1 1 1  -78   10   12 o  101.726   10.969  4416.87  891.700  2539.36  1684.51  5147.79  1051.04   71.908   24.293  109.382   12.033 -37.47363 27.10989 
1 1 1  -78   10   13 o   74.129   13.929  2465.39  807.617  1960.26  1532.84  2659.50  950.201   64.015   23.070   76.050   15.900 -12.03427 28.01790 
1 1 1  -78   10   14 o   65.122   14.576  1956.88  751.486  124.617  1578.99  2493.43  854.462   46.740   20.769   73.591   14.812 -26.85141 25.50978 
1 1 1  -78   10   15 o   37.048   15.485  306.033  778.777  418.622  1338.79  248.452  957.433   45.316   19.655   39.108   16.789 6.208260 25.84952 
1 1 1  -78   10   16 o   63.486   17.431  2070.57  925.911  463.872  1866.34  2595.13  1066.40   48.573   21.997   70.408   18.436 -21.83573 28.70127 
1 1 1  -78   10   17 o  115.348   9.1539  5848.27  850.299  3773.55  2426.48  6138.70  907.865   66.359   27.501  117.772   9.5768 -51.41323 29.12089 
1 1 1  -78   10   18 o   60.023   9.9712  1664.30  468.916   56.762  1863.83  1772.93  484.500   41.607   19.845   61.991   9.9631 -20.38418 22.20527 
1 1 1  -78   10   19 o   30.586   12.351  375.291  473.858  2343.80  1906.72  245.708  489.206   48.794   22.152   28.751   12.160 20.04286 25.26969 
1 1 1  -78   12    1 o   74.622   30.655  1421.69  2979.80   0.0000   0.0000  1421.69  2979.80  ?   ?    74.622   30.655 0.000000 30.65538 
1 1 1  -78   12    2 o  255.691   39.464 32606.16  7929.50   0.0000   0.0000 32606.16  7929.50  ?   ?   255.691   39.464 0.000000 39.46395 
1 1 1  -78   12    3 o  140.607   41.409 10450.44  5046.50   0.0000   0.0000 10450.44  5046.50  ?   ?   140.607   41.409 0.000000 41.40920 
1 1 1  -78   12    4 o  148.250   44.692 12234.55  5825.85   0.0000   0.0000 12234.55  5825.85  ?   ?   148.250   44.692 0.000000 44.69194 
1 1 1  -78   12    5 o  150.022   48.489 13502.81  6732.58   0.0000   0.0000 13502.81  6732.58  ?   ?   150.022   48.489 0.000000 48.48881 
1 1 1  -78   12    6 o   73.744   34.210 -1675.9760  4895.77   0.0000   0.0000 -1675.9760  4895.77  ?   ?    73.744   34.210 0.000000 34.20956 
1 1 1  -78   12    7 o   73.339   16.612  2385.62  966.271  2659.09  974.934 -12797.4697  7264.50   77.713   15.984   66.620   33.228 11.09283 36.87287 
1 1 1  -78   12    8 o  128.092   10.764  6875.57  1109.13  3587.67  2087.42  8168.99  1309.24   86.300   26.892  139.322   11.681 -53.02212 29.31981 
1 1 1  -78   12    9 o  114.850   10.052  5527.39  927.942  4703.60  1902.79  5784.45  1062.90   99.149   23.913  117.028   11.327 -17.87879 26.45982 
1 1 1  -78   12   10 o   56.058   11.330  1364.98  497.972  176.136  1317.73  1563.04  537.856   45.771   19.675   60.049   11.449 -14.27763 22.76356 
1 1 1  -78   12   11 o   51.005   12.222  1148.36  499.548  963.134  1272.62  1182.10  543.143   52.420   20.542   51.605   12.976 0.8150864 24.29668 
1 1 1  -78   12   12 o  109.586   10.975  5138.88  963.443  3833.76  1920.57  5577.75  1113.71   85.374   25.643  113.498   12.281 -28.12434 28.43228 
1 1 1  -78   12   13 o   60.351   13.239  1645.39  630.926  492.291  1557.52  1871.75  690.080   49.587   21.353   64.285   13.643 -14.69815 25.33947 
1 1 1  -78   12   14 o   32.059   13.780   76.094  646.406 -1281.3110  1319.64  504.605  741.448   34.640   16.570   39.320   15.593 -4.680115 22.75370 
1 1 1  -78   12   15 f   55.567   9.8211  1364.12  426.910 -1573.6780  1798.60  1539.51  439.468   39.062   18.854   59.275   9.4482 -20.21279 21.08917 
1 1 1  -78   12   16 o   22.689   9.6525   44.318  311.309  224.631  1847.46   39.048  315.825   46.077   21.248   22.736   9.6985 23.34127 23.35632 
1 1 1  -78   12   17 o   39.263   11.564  734.490  393.548   14.858  1830.40  769.369  402.972   42.652   20.145   40.110   11.670 2.542152 23.28066 
1 1 1  -78   12   18 o   81.009   10.393  3078.35  667.871  2004.94  2256.76  3181.39  699.190   49.100   22.927   81.982   10.764 -32.88153 25.32828 
1 1 1  -78   14    1 o   74.907   31.571  1186.96  3279.67   0.0000   0.0000  1186.96  3279.67  ?   ?    74.907   31.571 0.000000 31.57144 
1 1 1  -78   14    2 o  218.655   40.799 24773.58  6977.10   0.0000   0.0000 24773.58  6977.10  ?   ?   218.655   40.799 0.000000 40.79927 
1 1 1  -78   14    3 o   84.523   35.710  1959.40  4212.23   0.0000   0.0000  1959.40  4212.23  ?   ?    84.523   35.710 0.000000 35.71026 
1 1 1  -78   14    4 o  126.393   47.138  9391.96  6488.80   0.0000   0.0000  9391.96  6488.80  ?   ?   126.393   47.138 0.000000 47.13808 
1 1 1  -78   14    5 o  103.739   42.296  5193.06  5618.93   0.0000   0.0000  5193.06  5618.93  ?   ?   103.739   42.296 0.000000 42.29569 
1 1 1  -78   14    6 o  132.886   48.967 11655.54  6961.51   0.0000   0.0000 11655.54  6961.51  ?   ?   132.886   48.967 0.000000 48.96739 
1 1 1  -78   14    7 f   23.114   11.358 -1465.3270  739.677 -1494.7740  744.294  886.563  6651.75   23.084   11.354   87.981   40.478 -64.89654 42.03995 
1 1 1  -78   14    8 o   75.265   23.723  2661.88  1619.29  2661.88  1619.29   0.0000   0.0000   75.265   23.723  ?   ?  0.000000 23.72302 
1 1 1  -78   14   10 o   69.069   11.292  2059.72  611.377 -329.9922  1723.73  2403.61  653.889   47.326   21.313   74.795   11.104 -27.46891 24.03191 
1 1 1  -78   14   11 o  138.277   12.011  8218.44  1335.20  4593.92  2660.95  9438.10  1543.59   89.874   30.532  147.548   13.018 -57.67480 33.19107 
1 1 1  -78   14   12 o  127.120   11.392  6964.76  1163.33  6705.89  2492.40  7036.86  1315.41  109.891   27.887  126.719   12.967 -16.82845 30.75412 
1 1 1  -78   14   13 o  182.902   10.564 14378.01  1562.14  9176.27  3697.47 15508.24  1723.51  112.103   35.903  189.261   11.266 -77.15827 37.62880 
1 1 1  -78   14   14 o   95.885   8.1523  3906.74  628.683  4515.10  2350.03  3859.84  652.464   82.489   28.668   95.100   8.5407 -12.61106 29.91301 
1 1 1  -78   14   15 o   45.077   10.728  927.096  386.961 -2660.1931  2162.41  1045.77  393.310   38.669   19.082   48.073   10.380 -9.404537 21.72240 
1 1 1  -78   14   16 o   85.152   9.0928  3198.93  618.957  1957.76  2626.41  3271.92  636.896   55.333   25.449   85.995   9.2677 -30.66228 27.08398 
1 1 1  -78   14   17 o   31.557   11.640  428.739  393.545 -2388.0310  2204.33  521.476  399.971   36.409   18.182   33.679   11.820 2.729446 21.68670 
1 1 1  -78   16    1 o   98.101   37.419  4485.64  4140.94   0.0000   0.0000  4485.64  4140.94  ?   ?    98.101   37.419 0.000000 37.41864 
1 1 1  -78   16    2 o  167.442   44.902 16059.26  6230.20   0.0000   0.0000 16059.26  6230.20  ?   ?   167.442   44.902 0.000000 44.90193 
1 1 1  -78   16    3 o   51.297   25.218 -6122.6392  3659.42   0.0000   0.0000 -6122.6392  3659.42  ?   ?    51.297   25.218 0.000000 25.21836 
1 1 1  -78   16    4 o  114.031   45.096  7489.26  6185.16   0.0000   0.0000  7489.26  6185.16  ?   ?   114.031   45.096 0.000000 45.09570 
1 1 1  -78   16    5 o   78.584   36.523 -1003.2370  5621.09   0.0000   0.0000 -1003.2370  5621.09  ?   ?    78.584   36.523 0.000000 36.52347 
1 1 1  -78   16    6 o  121.887   49.061 10521.78  7450.75   0.0000   0.0000 10521.78  7450.75  ?   ?   121.887   49.061 0.000000 49.06050 
1 1 1  -78   16    7 o   81.216   38.878 -2045.9520  7293.60   0.0000   0.0000 -2045.9520  7293.60  ?   ?    81.216   38.878 0.000000 38.87838 
1 1 1  -78   16    8 o   84.328   29.494  3616.47  2489.25  2262.47  2585.90 20720.85  9190.89   73.226   29.095  147.045   55.828 -73.81872 62.95441 
1 1 1  -78   16    9 o   62.241   24.564  1503.59  1831.70  1503.59  1831.70   0.0000   0.0000   62.241   24.564  ?   ?  0.000000 24.56408 
1 1 1  -78   16   10 f  138.926   12.302  8314.23  1373.35  3392.19  3090.74  9525.13  1533.01   79.772   31.773  148.379   12.851 -68.60738 34.27367 
1 1 1  -78   16   11 o  170.292   13.694 12748.74  1877.54  8360.94  3734.84 14232.61  2171.93  110.937   36.135  178.505   15.127 -67.56882 39.17317 
1 1 1  -78   16   12 o  115.613   12.029  5855.61  1112.67  1149.85  2759.02  6769.60  1215.93   61.478   27.378  124.243   12.211 -62.76535 29.97734 
1 1 1  -78   16   13 o   69.258   8.1098  2045.56  447.422  164.135  2612.05  2102.43  454.133   54.080   25.052   70.223   8.1141 -16.14295 26.33342 
1 1 1  -78   16   14 o   56.303   9.7459  1404.34  429.413  3308.24  2482.21  1345.60  435.987   68.548   28.049   54.900   10.155 13.64808 29.83007 
1 1 1  -78   16   15 o   35.900   11.059  589.171  354.178 -929.2713  2595.62  617.979  357.522   45.629   22.171   36.672   11.075 8.957558 24.78350 
1 1 1  -78   16   16 o   62.769   12.989  1937.47  640.192  778.858  2649.22  2009.32  659.745   48.180   23.160   63.797   13.173 -15.61681 26.64436 
1 1 1  -78   16   17 o   46.347   14.193  1166.88  584.340  3749.32  2819.90  1051.01  597.304   53.544   25.201   43.858   14.459 9.685322 29.05439 
1 1 1  -78   18    1 o  115.948   41.748  7653.39  5018.73   0.0000   0.0000  7653.39  5018.73  ?   ?   115.948   41.748 0.000000 41.74773 
1 1 1  -78   18    2 o  158.264   47.654 15858.96  6626.48   0.0000   0.0000 15858.96  6626.48  ?   ?   158.264   47.654 0.000000 47.65356 
1 1 1  -78   18    3 o   93.724   40.185  3606.09  5472.22   0.0000   0.0000  3606.09  5472.22  ?   ?    93.724   40.185 0.000000 40.18520 
1 1 1  -78   18    4 o  114.432   46.920  8556.15  6964.01   0.0000   0.0000  8556.15  6964.01  ?   ?   114.432   46.920 0.000000 46.92002 
1 1 1  -78   18    5 o  151.419   55.388 19428.41  8883.33   0.0000   0.0000 19428.41  8883.33  ?   ?   151.419   55.388 0.000000 55.38757 
1 1 1  -78   18    6 o  135.898   54.045 16932.05  8929.65   0.0000   0.0000 16932.05  8929.65  ?   ?   135.898   54.045 0.000000 54.04480 
1 1 1  -78   18    7 o  100.929   46.151  7063.04  8467.24   0.0000   0.0000  7063.04  8467.24  ?   ?   100.929   46.151 0.000000 46.15122 
1 1 1  -78   18    8 o   36.072   13.076  480.642  493.490  530.009  494.216 -16291.0195  9109.28   37.077   13.127   66.087   33.495 -29.01049 35.97503 
1 1 1  -78   18    9 o   48.091   17.083  962.455  837.666  1080.27  840.565 -16024.0996 10093.32   49.978   17.158   67.650   34.386 -17.67190 38.42910 
1 1 1  -78   18   10 o  118.498   11.425  6058.67  1085.62  2514.96  3186.38  6524.05  1154.71   72.218   30.806  122.810   11.722 -50.59238 32.96085 
1 1 1  -78   18   11 o   52.329   7.8634  1168.03  323.779 -1501.3060  2581.06  1210.71  326.357   48.862   23.318   53.324   7.7656 -4.462749 24.57731 
1 1 1  -78   18   12 o   49.742   12.748  1137.75  517.248  3281.79  2496.60  1041.59  528.720   71.979   28.592   47.506   13.222 24.47392 31.50105 
1 1 1  -78   18   13 o   85.598   8.1134  3133.94  557.171  3553.38  2787.10  3116.48  568.650   69.591   29.205   85.246   8.3216 -15.65551 30.36783 
1 1 1  -78   18   14 o  105.390   8.6413  4820.28  732.958  2705.08  3506.97  4916.89  749.510   60.283   28.288  106.355   8.7571 -46.07118 29.61224 
1 1 1  -78   18   15 o   98.663   12.610  4647.65  987.076  4209.10  3436.67  4687.08  1030.50   60.387   28.230   98.366   13.238 -37.97933 31.17951 
1 1 1  -78   18   16 o   35.539   13.047  602.620  493.534  1255.41  2910.53  583.294  500.786   46.934   22.952   35.202   13.102 11.73265 26.42845 
1 1 1  -78   20    1 o   70.918   32.686 -702.3247  4363.61   0.0000   0.0000 -702.3247  4363.61  ?   ?    70.918   32.686 0.000000 32.68566 
1 1 1  -78   20    2 o  103.222   42.662  6228.49  5816.52   0.0000   0.0000  6228.49  5816.52  ?   ?   103.222   42.662 0.000000 42.66225 
1 1 1  -78   20    3 o  109.717   45.602  8134.13  6699.30   0.0000   0.0000  8134.13  6699.30  ?   ?   109.717   45.602 0.000000 45.60158 
1 1 1  -78   20    4 o   65.429   32.120 -6248.8428  5869.37   0.0000   0.0000 -6248.8428  5869.37  ?   ?    65.429   32.120 0.000000 32.11968 
1 1 1  -78   20    5 o   93.672   41.480  4823.46  6245.97   0.0000   0.0000  4823.46  6245.97  ?   ?    93.672   41.480 0.000000 41.47979 
1 1 1  -78   20    6 o  101.837   46.118  8364.53  8202.54   0.0000   0.0000  8364.53  8202.54  ?   ?   101.837   46.118 0.000000 46.11776 
1 1 1  -78   20    7 o   93.517   44.125  6401.10  8742.86   0.0000   0.0000  6401.10  8742.86  ?   ?    93.517   44.125 0.000000 44.12458 
1 1 1  -78   20    8 o   69.756   31.208  1508.83  3629.62 -16.0115  3857.03 13308.00 10729.17   64.904   30.195  100.001   47.673 -35.09766 56.43133 
1 1 1  -78   20    9 o   65.031   29.678  935.645  3479.74 -1643.5060  3628.78 30412.00 12267.59   57.068   27.346  117.578   54.405 -60.51009 60.89135 
1 1 1  -78   20   10 f   93.665   10.501  3798.95  784.895  5696.10  3626.43  3705.70  803.951   86.957   34.485   92.252   10.946 -5.294487 36.18105 
1 1 1  -78   20   11 o  100.206   7.8522  4248.32  633.771 -1147.2880  3668.81  4414.29  643.445   55.252   26.731  102.174   7.8152 -46.92150 27.85028 
1 1 1  -78   20   12 o   67.083   11.387  2033.36  598.075  3997.71  3511.97  1974.69  606.941   69.705   30.974   65.862   11.782 3.843056 33.13877 
1 1 1  -78   20   13 o   51.451   9.7602  1191.38  392.831  317.292  3230.76  1204.50  395.767   52.377   25.278   51.730   9.7807 0.6472702 27.10431 
1 1 1  -78   20   14 o   70.060   12.699  2364.56  695.778  4713.17  3555.01  2271.01  709.499   62.074   28.915   68.111   13.306 -6.037506 31.82983 
1 1 1  -78   20   15 o   32.618   12.434  459.937  457.089 -1220.0950  3886.20  483.505  460.284   44.327   22.398   33.099   12.511 11.22783 25.65538 
1 1 1  -78   22    1 o   63.302   30.475 -3292.9141  4627.06   0.0000   0.0000 -3292.9141  4627.06  ?   ?    63.302   30.475 0.000000 30.47459 
1 1 1  -78   22    2 o  157.229   54.585 22346.54  8518.89   0.0000   0.0000 22346.54  8518.89  ?   ?   157.229   54.585 0.000000 54.58541 
1 1 1  -78   22    3 o  181.670   62.103 35649.18 11009.93   0.0000   0.0000 35649.18 11009.93  ?   ?   181.670   62.103 0.000000 62.10298 
1 1 1  -78   22    4 o  127.279   53.478 18674.97  9362.76   0.0000   0.0000 18674.97  9362.76  ?   ?   127.279   53.478 0.000000 53.47806 
1 1 1  -78   22    5 o  110.969   48.379 13057.49  8197.59   0.0000   0.0000 13057.49  8197.59  ?   ?   110.969   48.379 0.000000 48.37923 
1 1 1  -78   22    6 o  108.969   49.133 15308.69  9193.46   0.0000   0.0000 15308.69  9193.46  ?   ?   108.969   49.133 0.000000 49.13290 
1 1 1  -78   22    7 o   82.944   40.758  4183.39  9524.79   0.0000   0.0000  4183.39  9524.79  ?   ?    82.944   40.758 0.000000 40.75800 
1 1 1  -78   22    8 o   63.671   32.343 -10560.2305  8827.37   0.0000   0.0000 -10560.2305  8827.37  ?   ?    63.671   32.343 0.000000 32.34296 
1 1 1  -78   22    9 o   71.593   10.035  2230.35  567.340  1699.62  4122.35  2240.60  572.790   66.429   31.009   71.723   10.117 -5.293320 32.61707 
1 1 1  -78   22   10 o   76.137   10.937  2570.16  656.702  5718.77  3954.95  2480.89  665.947   79.217   34.069   74.543   11.362 4.673935 35.91398 
1 1 1  -78   22   11 o   51.874   8.5151  1176.07  346.203  4835.88  4534.21  1154.60  347.216   69.261   32.393   51.338   8.6361 17.92252 33.52452 
1 1 1  -78   22   12 o   53.587   26.478   85.960  4209.46   85.960  4209.46   0.0000   0.0000   53.587   26.478  ?   ?  0.000000 26.47754 
1 1 1  -78   22   13 o   95.364   12.979  4387.99  978.913  6000.29  4712.71  4315.29  1000.74   60.935   29.669   93.980   13.502 -33.04501 32.59696 
1 1 1  -78   24    1 o  114.847   46.350 12311.98  6669.42   0.0000   0.0000 12311.98  6669.42  ?   ?   114.847   46.350 0.000000 46.34999 
1 1 1  -78   24    2 o  106.754   47.086 12312.77  7970.94   0.0000   0.0000 12312.77  7970.94  ?   ?   106.754   47.086 0.000000 47.08599 
1 1 1  -78   24    3 o   90.105   42.661  6803.75  8301.75   0.0000   0.0000  6803.75  8301.75  ?   ?    90.105   42.661 0.000000 42.66076 
1 1 1  -78   24    4 o   79.062   38.684  1671.48  8300.12   0.0000   0.0000  1671.48  8300.12  ?   ?    79.062   38.684 0.000000 38.68396 
1 1 1  -78   24    5 o   85.789   41.977  7596.47  9776.77   0.0000   0.0000  7596.47  9776.77  ?   ?    85.789   41.977 0.000000 41.97717 
1 1 1  -78   24    6 o   73.552   36.952 -428.4073  9772.55   0.0000   0.0000 -428.4073  9772.55  ?   ?    73.552   36.952 0.000000 36.95166 
1 1 1  -78   24    7 o   67.131   34.098 -4889.5908  9801.73   0.0000   0.0000 -4889.5908  9801.73  ?   ?    67.131   34.098 0.000000 34.09845 
1 1 1  -78   24    8 o   87.105   10.268  3315.67  712.245   0.0000   0.0000  3315.67  712.245  ?   ?    87.105   10.268 0.000000 10.26768 
1 1 1  -78   24    9 o   31.243   10.607  409.460  321.181   0.0000   0.0000  409.460  321.181  ?   ?    31.243   10.607 0.000000 10.60741 
1 1 1  -78   24   10 o   51.718   12.210  1256.98  504.512   0.0000   0.0000  1256.98  504.512  ?   ?    51.718   12.210 0.000000 12.20991 
1 1 1  -78   24   11 o   25.279   11.104  -9.4884  439.066   0.0000   0.0000  -9.4884  439.066  ?   ?    25.279   11.104 0.000000 11.10376 
1 1 1  -78   26    1 o   77.925   37.620  3734.70  7170.12   0.0000   0.0000  3734.70  7170.12  ?   ?    77.925   37.620 0.000000 37.62037 
1 1 1  -78   26    2 o   52.544   26.658 -11227.2002  5868.01   0.0000   0.0000 -11227.2002  5868.01  ?   ?    52.544   26.658 0.000000 26.65764 
1 1 1  -78   26    3 o   57.093   29.011 -11166.9404  7146.18   0.0000   0.0000 -11166.9404  7146.18  ?   ?    57.093   29.011 0.000000 29.01138 
1 1 1  -78   26    4 o   69.652   35.123 -977.9327  9280.72   0.0000   0.0000 -977.9327  9280.72  ?   ?    69.652   35.123 0.000000 35.12314 
1 1 1  -78   26    5 o   82.783   41.073 14905.78 10521.21   0.0000   0.0000 14905.78 10521.21  ?   ?    82.783   41.073 0.000000 41.07273 
1 1 1  -78   26    6 o   73.657   37.560 11633.33 12812.85   0.0000   0.0000 11633.33 12812.85  ?   ?    73.657   37.560 0.000000 37.56038 
1 1 1  -78   26    7 o   66.378   33.922  4120.12 10950.95   0.0000   0.0000  4120.12 10950.95  ?   ?    66.378   33.922 0.000000 33.92221 
1 1 1  -78   26    8 o   60.129   31.037 -3579.4009 13039.99   0.0000   0.0000 -3579.4009 13039.99  ?   ?    60.129   31.037 0.000000 31.03701 
1 1 1  -78   26    9 o   59.899   31.066  9799.69 16407.69   0.0000   0.0000  9799.69 16407.69  ?   ?    59.899   31.066 0.000000 31.06566 
1 1 1  -78   28    1 o   68.779   34.388  3053.47  7989.17   0.0000   0.0000  3053.47  7989.17  ?   ?    68.779   34.388 0.000000 34.38797 
1 1 1  -78   28    2 o   69.874   35.197  5061.78  9183.08   0.0000   0.0000  5061.78  9183.08  ?   ?    69.874   35.197 0.000000 35.19707 
1 1 1  -78   28    3 o   73.051   36.544  9724.46  9077.12   0.0000   0.0000  9724.46  9077.12  ?   ?    73.051   36.544 0.000000 36.54358 
1 1 1  -78   28    4 o   61.079   31.360 -4145.3389 10543.76   0.0000   0.0000 -4145.3389 10543.76  ?   ?    61.079   31.360 0.000000 31.36005 
1 1 1  -77    1    1 f  197.570   17.703 16396.27  2809.75 16157.43  3914.84 16650.00  4035.05  192.675   25.662  195.422   26.080 -2.747421 36.58839 
1 1 1  -77    1    2 o   75.315   21.606  2459.89  1390.11  2624.99  1916.26  2276.50  2019.65   79.015   25.890   75.841   26.564 3.174461 37.09368 
1 1 1  -77    1    3 o  106.681   7.0913  4662.27  610.763  3996.21  871.748  5304.43  855.966   98.038   11.149  113.464   9.3749 -15.42602 14.56710 
1 1 1  -77    1    4 o  132.156   8.3634  7167.67  892.809  7161.56  1285.42  7173.37  1241.00  131.311   12.195  131.527   11.744 -0.2159882 16.93056 
1 1 1  -77    1    5 o  339.223   14.817 47822.41  4081.29 48128.91  5782.15 47518.07  5761.55  335.604   21.330  333.409   21.395 2.195038 30.21127 
1 1 1  -77    1    6 o  438.909   22.957 83287.05  8152.85 81898.83 11571.34 84655.53 11488.84  420.026   34.226  428.508   33.281 -8.482178 47.73981 
1 1 1  -77    1    7 o  218.744   12.464 19886.35  2204.62 18979.12  3156.27 20750.66  3080.71  210.701   18.641  221.139   17.295 -10.43744 25.42854 
1 1 1  -77    1    8 o  203.064   11.983 17155.08  1967.01 17025.37  2807.56 17280.14  2756.68  199.608   17.499  201.374   17.019 -1.765427 24.41035 
1 1 1  -77    1    9 o  197.740   11.986 16315.31  1915.37 16914.62  2744.89 15746.55  2674.00  198.575   17.194  191.434   17.393 7.140869 24.45673 
1 1 1  -77    1   10 o   90.197   10.424  3414.10  749.336  3914.32  1129.51  3020.86  1001.45   95.085   15.137   83.210   15.389 11.87546 21.58617 
1 1 1  -77    1   11 o   57.211   13.862  1438.32  637.169  2008.96  906.527  881.165  895.757   67.020   16.715   48.409   17.606 18.61113 24.27693 
1 1 1  -77    1   12 o   49.101   15.031  1047.44  655.444  1528.69  930.814  574.129  923.109   58.513   17.913   44.289   17.451 14.22440 25.00814 
1 1 1  -77    1   13 o  116.194   11.885  5768.90  1105.53  5185.34  1611.49  6287.73  1519.48  105.881   19.462  118.978   16.146 -13.09743 25.28709 
1 1 1  -77    1   14 o  114.435   12.635  5679.78  1154.45  7453.87  1694.35  4142.50  1577.22  128.454   16.636   92.134   21.479 36.32002 27.16794 
1 1 1  -77    1   15 o   54.089   16.577  1357.97  796.935  2697.35  1300.27  552.119  1008.58   73.406   20.842   43.949   17.919 29.45687 27.48640 
1 1 1  -77    1   16 f   62.937   17.051  1924.09  892.950  2101.80  1192.97  1697.66  1346.59   64.095   20.379   58.650   21.548 5.444885 29.65833 
1 1 1  -77    1   17 o   56.478   18.724  1638.34  1001.20  675.720  1406.20  2628.02  1425.82   47.215   20.311   67.975   22.335 -20.76048 30.18945 
1 1 1  -77    1   18 o   51.756   19.060  1439.15  1054.51  702.732  1474.50  2210.11  1508.70   46.039   20.282   59.605   22.622 -13.56587 30.38245 
1 1 1  -77    1   19 o   34.515   15.827 -36.6464  1005.44 -895.8929  1426.02  812.749  1417.82   34.639   16.736   44.024   19.614 -9.385441 25.78373 
1 1 1  -77    1   20 o   31.415   14.898 -300.5384  1020.45 -349.9237  1396.06 -243.8822  1495.30   34.750   16.732   35.937   17.307 -1.187038 24.07214 
1 1 1  -77    3    1 o  112.209   9.6436  5191.11  870.087  5750.71  926.589  1017.84  2530.37  118.124   9.7478   69.395   28.348 48.72977 29.97748 
1 1 1  -77    3    2 o  166.907   11.363 11494.69  1530.80 11418.88  1676.59 11874.60  3753.26  166.068   12.526  162.684   29.500 3.384445 32.04913 
1 1 1  -77    3    3 o  317.039   15.151 41704.92  3900.21 38985.27  4506.63 49819.78  7784.60  304.529   18.311  336.262   28.789 -31.73233 34.11889 
1 1 1  -77    3    4 o  129.100   7.7594  6832.10  809.605  7311.69  1205.35  6437.89  1092.81  132.881   11.278  124.714   10.901 8.167557 15.68541 
1 1 1  -77    3    5 o  225.741   15.780 21352.96  2874.11 17822.34  6041.80 22385.60  3267.50  190.747   40.273  230.295   17.607 -39.54822 43.95419 
1 1 1  -77    3    6 o  262.090   13.761 28603.87  2918.22 31629.81  4236.56 25871.92  4025.49  272.430   19.277  245.589   20.371 26.84018 28.04574 
1 1 1  -77    3    7 o  131.281   9.3126  7113.67  986.249  8133.04  1527.97  6385.68  1291.25  139.155   13.701  123.343   13.093 15.81169 18.95121 
1 1 1  -77    3    8 o   92.066   9.0384  3516.16  666.954  4334.39  1052.38  2966.91  862.220  101.234   13.111   83.460   13.159 17.77427 18.57591 
1 1 1  -77    3    9 o  114.268   9.8042  5426.40  900.838  4820.97  1378.57  5877.57  1190.07  105.373   16.667  118.099   12.605 -12.72549 20.89678 
1 1 1  -77    3   10 o   74.223   11.147  2338.11  651.032  3196.88  1044.51  1792.53  832.532   85.540   15.614   63.639   16.100 21.90083 22.42729 
1 1 1  -77    3   11 o   32.714   12.894  273.632  504.104  399.237  883.206  212.941  613.929   41.693   16.853   34.159   13.960 7.533970 21.88373 
1 1 1  -77    3   12 o  106.584   11.276  4814.70  961.047  5203.24  1490.34  4538.13  1257.41  107.786   17.639  101.472   15.774 6.314629 23.66315 
1 1 1  -77    3   13 o  142.346   12.044  8649.62  1379.01  6977.95  2048.92 10033.93  1864.52  121.501   21.558  151.116   15.411 -29.61519 26.50021 
1 1 1  -77    3   14 o   59.135   16.086  1608.74  792.849  3822.19  1196.47 -124.1623  1058.65   91.362   16.746   38.526   17.068 52.83656 23.91071 
1 1 1  -77    3   15 o  102.907   13.247  4691.58  1081.15  6218.57  1629.58  3490.98  1444.97  114.890   18.065   83.198   21.299 31.69259 27.92822 
1 1 1  -77    3   16 o   81.436   15.920  3132.40  1014.97  3052.02  1520.01  3197.08  1363.47   74.854   22.886   78.276   21.012 -3.421761 31.06902 
1 1 1  -77    3   17 o   88.950   16.656  3882.59  1158.77  3579.29  1761.71  4113.87  1538.39   76.276   24.816   85.994   21.956 -9.718132 33.13464 
1 1 1  -77    3   18 o  101.031   16.411  5165.51  1300.03  6233.48  1835.41  4090.27  1841.64  102.226   22.703   76.626   25.394 25.60065 34.06313 
1 1 1  -77    3   19 f   35.256   16.272 -51.1843  1087.08 -379.8088  1660.35  195.387  1438.20   38.814   18.572   39.993   18.549 -1.179260 26.24845 
1 1 1  -77    3   20 o   37.205   17.185  387.079  1215.95  974.737  1852.75 -57.5448  1611.58   42.444   20.112   37.228   17.938 5.215786 26.94961 
1 1 1  -77    5    1 o  130.070   11.070  6996.21  1158.06  6996.21  1158.06   0.0000   0.0000  130.070   11.070  ?   ?  0.000000 11.07041 
1 1 1  -77    5    2 o   38.761   11.213  630.381  373.007  630.381  373.007   0.0000   0.0000   38.761   11.213  ?   ?  0.000000 11.21336 
1 1 1  -77    5    3 o  148.979   12.068  9200.62  1447.31  8963.53  1541.74 10960.10  4199.93  146.773   13.074  152.806   34.649 -6.033585 37.03299 
1 1 1  -77    5    4 o  109.192   12.274  4977.67  1069.36  4968.59  1109.66  5095.87  4004.36  108.966   12.785  106.506   37.399 2.459976 39.52357 
1 1 1  -77    5    5 o  152.533   12.809  9689.93  1571.69  9079.33  1657.76 15116.15  4941.87  147.242   14.036  178.289   35.386 -31.04710 38.06794 
1 1 1  -77    5    6 o  145.428   11.824  8794.06  1384.07   0.0000   0.0000  8794.06  1384.07  ?   ?   145.428   11.824 0.000000 11.82356 
1 1 1  -77    5    7 o  246.047   14.278 25365.50  2840.17 22380.75  4205.57 27868.20  3851.02  225.335   23.323  255.150   18.719 -29.81538 29.90614 
1 1 1  -77    5    8 o  161.994   10.662 10890.13  1394.60 10646.20  2176.18 11060.12  1816.68  157.426   17.311  162.030   13.944 -4.603317 22.22834 
1 1 1  -77    5    9 o   69.789   10.531  2058.82  578.210  332.181  1063.34  2783.70  688.972   44.197   18.252   81.321   10.694 -37.12340 21.15381 
1 1 1  -77    5   10 o  136.176   10.785  7752.48  1182.73  5638.13  1870.17  9161.81  1526.85  111.249   21.481  147.225   12.903 -35.97582 25.05860 
1 1 1  -77    5   11 o  134.804   10.623  7617.18  1153.38  7039.90  1808.22  8013.15  1497.58  125.847   18.226  136.919   13.653 -11.07150 22.77275 
1 1 1  -77    5   12 o   86.892   11.757  3231.79  808.175  2141.97  1374.78  3807.28  999.024   68.026   21.903   93.702   13.522 -25.67664 25.74111 
1 1 1  -77    5   13 o   37.049   14.012  460.627  577.566 -518.4300  1055.21  879.401  690.121   35.624   16.290   45.815   15.549 -10.19130 22.51990 
1 1 1  -77    5   14 o   33.222   14.276   49.988  693.340  2130.51  1138.33 -1177.0750  874.209   66.594   19.682   27.445   13.221 39.14837 23.71070 
1 1 1  -77    5   15 o  430.240   21.373 91011.10  7466.42 167949.41 10716.11 18421.99 10408.83  577.242   22.863  101.226   47.879 476.0160 53.05808 
1 1 1  -77    5   16 o   33.011   14.661 -84.4670  785.782 -21.6855  1314.77 -119.3530  980.079   41.797   18.735   36.182   16.200 5.614792 24.76781 
1 1 1  -77    5   17 o   49.653   18.177  1197.55  957.028  4662.66  1603.71 -718.9778  1192.68   91.486   21.883   34.708   16.352 56.77777 27.31807 
1 1 1  -77    5   18 o   54.996   18.430  1679.16  969.444  1878.92  1779.42  1594.84  1156.08   55.132   23.247   53.037   19.874 2.095024 30.58412 
1 1 1  -77    5   19 o   25.496   12.617 -1556.1450  968.956 -533.6451  1641.92 -2102.5229  1200.24   37.678   18.143   27.116   13.522 10.56170 22.62725 
1 1 1  -77    5   20 o   37.483   16.915  577.292  1092.30  931.777  1970.82  420.126  1312.29   41.826   20.072   37.531   17.511 4.295254 26.63663 
1 1 1  -77    7    1 o  165.562   31.850 12569.37  4126.18   0.0000   0.0000 12569.37  4126.18  ?   ?   165.562   31.850 0.000000 31.85014 
1 1 1  -77    7    2 o  151.135   35.174 10801.75  4235.40   0.0000   0.0000 10801.75  4235.40  ?   ?   151.135   35.174 0.000000 35.17362 
1 1 1  -77    7    3 o  128.687   13.550  6928.75  1394.54  4958.47  1482.59 22053.31  4107.72  107.454   17.602  225.852   22.707 -118.3980 28.73089 
1 1 1  -77    7    4 o   89.984   12.501  3407.06  888.722  3319.39  916.301  4798.12  3649.83   88.641   13.128  102.995   35.731 -14.35457 38.06606 
1 1 1  -77    7    5 o   21.128   9.9363 -463.6447  436.768 -495.1361  439.540  2009.95  3895.53   20.929   9.8806   85.053   35.008 -64.12414 36.37605 
1 1 1  -77    7    6 o   87.310   8.3869  3152.41  587.256  1746.18  1027.56  3834.49  715.643   63.433   18.687   96.191   9.2777 -32.75857 20.86320 
1 1 1  -77    7    7 o   95.819   10.593  3834.07  810.398   0.0000   0.0000  3834.07  810.398  ?   ?    95.819   10.593 0.000000 10.59337 
1 1 1  -77    7    8 o   75.967   9.2578  2410.19  559.235  1944.64  1136.28  2559.00  642.426   66.372   19.677   78.038   10.397 -11.66577 22.25475 
1 1 1  -77    7    9 o   81.629   9.7287  2790.47  632.120  3036.70  1258.43  2707.37  731.038   82.160   19.208   79.879   11.611 2.280991 22.44466 
1 1 1  -77    7   10 o   38.422   11.883  618.341  408.446  903.681  1001.95  561.473  447.299   49.937   18.543   37.468   12.519 12.46882 22.37331 
1 1 1  -77    7   11 o   90.426   10.348  3448.56  746.081  3065.31  1417.91  3595.30  877.360   80.951   21.288   91.756   12.069 -10.80442 24.47139 
1 1 1  -77    7   12 f   84.482   11.190  3048.16  748.698  2795.54  1454.00  3139.31  873.386   76.452   22.145   85.026   13.069 -8.574219 25.71421 
1 1 1  -77    7   13 o  136.292   11.995  7960.60  1313.93  6067.59  2155.93  9079.20  1657.28  109.865   24.761  144.025   14.363 -34.15983 28.62498 
1 1 1  -77    7   14 f   28.717   13.205 -421.1089  706.739 -885.3734  1134.83 -126.9627  903.293   34.281   16.088   35.531   15.752 -1.249565 22.51546 
1 1 1  -77    7   15 o   50.923   17.412  1185.58  865.502  2292.44  1380.33  468.460  1111.04   66.727   21.979   43.969   18.445 22.75833 28.69316 
1 1 1  -77    7   16 o   26.207   12.251 -492.6870  647.160  1213.58  1361.42 -990.8000  735.583   52.582   21.039   24.884   12.022 27.69860 24.23196 
1 1 1  -77    7   17 o   53.974   18.318  1517.11  957.826  200.186  1683.09  2147.90  1164.85   45.336   20.671   62.202   20.176 -16.86588 28.88482 
1 1 1  -77    7   18 o   71.625   19.330  2949.63  1150.26  4605.65  1964.85  2086.16  1418.80   77.778   26.237   57.020   21.866 20.75881 34.15415 
1 1 1  -77    7   19 o   29.748   13.879 -263.9552  824.103 -546.4538  1597.36 -161.4903  962.017   36.755   17.747   32.426   15.084 4.329056 23.29133 
1 1 1  -77    7   20 o   32.918   11.499  538.723  378.309 -44.4666  1798.90  565.709  386.963   37.031   18.095   33.554   11.635 3.476437 21.51297 
1 1 1  -77    9    1 o  171.190   32.063 13539.48  4293.01   0.0000   0.0000 13539.48  4293.01  ?   ?   171.190   32.063 0.000000 32.06314 
1 1 1  -77    9    2 o  209.307   33.790 20398.64  5547.04   0.0000   0.0000 20398.64  5547.04  ?   ?   209.307   33.790 0.000000 33.79015 
1 1 1  -77    9    3 o  118.101   39.362  6763.29  4422.54   0.0000   0.0000  6763.29  4422.54  ?   ?   118.101   39.362 0.000000 39.36240 
1 1 1  -77    9    4 o  135.293   42.408  9429.09  5182.48   0.0000   0.0000  9429.09  5182.48  ?   ?   135.293   42.408 0.000000 42.40844 
1 1 1  -77    9    5 o  126.070   13.514  6681.94  1361.83  6171.57  1424.00 12146.66  4659.62  120.678   14.846  156.380   37.232 -35.70247 40.08282 
1 1 1  -77    9    6 o  181.692   16.101 14011.23  2350.78 11994.51  2501.97 29201.47  6866.60  166.689   18.815  245.138   35.534 -78.44983 40.20762 
1 1 1  -77    9    7 o  184.656   12.875 14279.91  1918.40  8421.52  2973.03 18459.36  2511.13  133.705   28.269  209.017   14.894 -75.31166 31.95230 
1 1 1  -77    9    8 o  182.945   14.948 14220.45  2201.09   0.0000   0.0000 14220.45  2201.09  ?   ?   182.945   14.948 0.000000 14.94824 
1 1 1  -77    9    9 o  183.204   12.010 14082.44  1776.69 12060.84  2807.67 15432.61  2294.52  163.685   21.657  190.143   14.983 -26.45796 26.33474 
1 1 1  -77    9   10 o  116.598   9.9487  5684.32  932.867  4063.10  1653.15  6441.75  1129.96   93.231   22.163  123.639   11.383 -30.40811 24.91585 
1 1 1  -77    9   11 o   94.306   9.9516  3743.50  750.525  3391.97  1439.69  3874.69  879.485   85.018   20.983   95.375   11.595 -10.35664 23.97376 
1 1 1  -77    9   12 o  103.988   10.624  4585.11  884.442  5380.70  1620.02  4247.28  1055.65  108.031   19.171   98.774   13.517 9.257111 23.45698 
1 1 1  -77    9   13 o   28.310   12.246 -15.6293  516.928 -661.6146  1181.45  137.316  574.875   36.715   16.952   31.804   13.300 4.911171 21.54672 
1 1 1  -77    9   14 o   80.134   13.061  2854.66  820.547  2590.69  1481.50  2971.47  985.514   71.137   22.720   80.351   15.668 -9.213455 27.59887 
1 1 1  -77    9   15 f   44.867   16.018  867.881  737.394  314.332  1344.42  1106.06  881.882   45.051   19.618   49.475   17.533 -4.423813 26.31107 
1 1 1  -77    9   16 o   45.545   17.415  888.266  898.382  500.768  1471.59  1118.48  1134.28   46.609   20.404   49.865   19.434 -3.255791 28.17791 
1 1 1  -77    9   17 o   84.109   9.3378  3106.91  626.954  705.224  1796.51  3439.97  669.015   48.384   21.777   88.456   9.4614 -40.07228 23.74319 
1 1 1  -77    9   18 o   86.156   9.3264  3319.67  642.021   57.406  1954.13  3714.42  679.756   43.343   20.572   91.186   9.3116 -47.84266 22.58138 
1 1 1  -77    9   19 o   47.669   12.410  1159.30  485.042  2649.46  1867.22  1051.47  502.285   53.251   23.154   44.900   13.019 8.350967 26.56327 
1 1 1  -77   11    1 o  161.169   36.234 12571.43  4626.54   0.0000   0.0000 12571.43  4626.54  ?   ?   161.169   36.234 0.000000 36.23427 
1 1 1  -77   11    2 o   69.194   29.809  374.601  3037.98   0.0000   0.0000  374.601  3037.98  ?   ?    69.194   29.809 0.000000 29.80945 
1 1 1  -77   11    3 o   86.768   34.883  2501.26  3761.74   0.0000   0.0000  2501.26  3761.74  ?   ?    86.768   34.883 0.000000 34.88285 
1 1 1  -77   11    4 o  128.389   41.915  8588.87  5024.33   0.0000   0.0000  8588.87  5024.33  ?   ?   128.389   41.915 0.000000 41.91524 
1 1 1  -77   11    5 o  113.483   43.050  6401.59  5462.20   0.0000   0.0000  6401.59  5462.20  ?   ?   113.483   43.050 0.000000 43.04960 
1 1 1  -77   11    6 o   35.753   14.653  210.980  678.774  210.305  684.977  247.781  5055.38   35.875   14.713   82.289   36.822 -46.41405 39.65232 
1 1 1  -77   11    7 o  140.140   17.789  8533.06  1978.55  7569.98  2067.86 18965.30  6805.77  130.708   20.130  181.293   46.123 -50.58583 50.32420 
1 1 1  -77   11    8 o  103.457   9.5481  4459.54  793.024  3084.11  1558.55  4940.03  921.187   81.672   22.690  108.627   10.578 -26.95480 25.03455 
1 1 1  -77   11    9 o  142.253   10.582  8463.69  1213.50  7048.78  2126.94  9146.54  1477.59  123.968   21.933  147.080   12.491 -23.11207 25.24023 
1 1 1  -77   11   10 o   59.349   10.840  1514.56  503.137  768.904  1123.14  1701.77  562.764   49.314   19.305   62.817   11.456 -13.50261 22.44806 
1 1 1  -77   11   11 o   91.712   10.506  3565.21  768.208  1735.53  1588.17  4124.05  877.721   63.558   23.393   98.455   11.178 -34.89735 25.92659 
1 1 1  -77   11   12 o   77.709   11.005  2595.30  674.972  3963.41  1448.11  2215.58  762.914   91.429   20.058   70.609   13.802 20.81950 24.34751 
1 1 1  -77   11   13 o   21.622   9.9858 -298.6039  410.336 -3435.8350  1178.31  134.366  437.737   24.967   12.581   28.393   11.717 -3.425274 17.19162 
1 1 1  -77   11   14 o   69.641   13.915  2207.96  759.334  1316.30  1621.35  2458.48  859.412   56.636   22.854   72.984   15.004 -16.34849 27.33920 
1 1 1  -77   11   15 o   54.890   9.6978  1321.41  416.409 -2984.5410  1644.02  1616.59  430.445   32.841   16.284   61.158   8.9315 -28.31769 18.57253 
1 1 1  -77   11   16 o  119.251   9.2761  6160.23  891.114  5202.87  2373.08  6317.39  961.476   85.038   28.833  120.219   9.9389 -35.18116 30.49816 
1 1 1  -77   11   17 o   13.547   6.7846 -847.7158  317.098  170.163  1537.19 -892.9548  324.068   42.480   19.512   13.541   6.7928 28.93850 20.66094 
1 1 1  -77   11   18 o   59.372   10.914  1664.28  506.733  3161.84  2193.94  1579.88  520.815   58.095   25.179   57.305   11.591 0.7897606 27.71898 
1 1 1  -77   11   19 o   61.883   12.196  1943.71  591.034 -815.2037  2139.94  2171.55  614.954   37.315   18.515   65.742   11.961 -28.42689 22.04277 
1 1 1  -77   13    1 o   71.494   30.115  919.405  2981.11   0.0000   0.0000  919.405  2981.11  ?   ?    71.494   30.115 0.000000 30.11486 
1 1 1  -77   13    2 o  170.619   39.342 14767.72  5338.87   0.0000   0.0000 14767.72  5338.87  ?   ?   170.619   39.342 0.000000 39.34188 
1 1 1  -77   13    3 o  137.636   41.620 10041.22  5046.73   0.0000   0.0000 10041.22  5046.73  ?   ?   137.636   41.620 0.000000 41.61967 
1 1 1  -77   13    4 f   80.154   35.230  627.666  4426.18   0.0000   0.0000  627.666  4426.18  ?   ?    80.154   35.230 0.000000 35.23026 
1 1 1  -77   13    5 o   90.005   38.132  2481.18  4824.16   0.0000   0.0000  2481.18  4824.16  ?   ?    90.005   38.132 0.000000 38.13170 
1 1 1  -77   13    6 o  103.290   42.591  4918.85  5778.45   0.0000   0.0000  4918.85  5778.45  ?   ?   103.290   42.591 0.000000 42.59073 
1 1 1  -77   13    7 o   40.077   12.505  670.510  451.190  762.457  452.433 -15993.4902  6090.81   42.273   12.384   55.617   28.095 -13.34385 30.70378 
1 1 1  -77   13    8 o   53.484   19.727  1077.63  1130.17  1077.63  1130.17   0.0000   0.0000   53.484   19.727  ?   ?  0.000000 19.72658 
1 1 1  -77   13    9 o   49.049   11.428  1046.63  446.686   0.0000   0.0000  1046.63  446.686  ?   ?    49.049   11.428 0.000000 11.42799 
1 1 1  -77   13   10 o   80.413   10.056  2737.66  642.236  1378.21  1633.50  2986.22  698.487   60.304   23.372   83.891   10.483 -23.58657 25.61512 
1 1 1  -77   13   11 o   93.637   11.270  3751.23  839.665  1014.75  1812.39  4499.11  947.482   57.772   23.841  102.509   11.587 -44.73639 26.50737 
1 1 1  -77   13   12 o  143.187   11.994  8823.58  1381.59  7197.41  2568.09  9485.95  1638.99  115.887   27.674  147.114   13.885 -31.22749 30.96162 
1 1 1  -77   13   13 o   41.582   14.524  719.328  603.560 -600.7502  1588.03  942.211  652.526   42.684   19.689   46.123   15.108 -3.439144 24.81706 
1 1 1  -77   13   14 o   79.791   8.1192  2699.68  518.700  3421.25  1956.60  2645.13  537.948   76.526   26.180   78.796   8.5450 -2.269508 27.53922 
1 1 1  -77   13   15 o   96.975   8.4648  4021.81  659.840  3265.30  2072.03  4107.19  696.078   71.348   26.632   97.770   8.8647 -26.42207 28.06822 
1 1 1  -77   13   16 o   48.140   11.219  1072.14  430.414  951.828  2086.05  1077.49  439.879   51.272   23.235   48.169   11.420 3.103115 25.88966 
1 1 1  -77   13   17 o   48.519   11.506  1122.44  446.403  1026.72  2322.44  1126.11  454.885   49.162   23.053   48.492   11.690 0.6705780 25.84787 
1 1 1  -77   13   18 o   23.498   10.576 -70.6017  423.717  1256.35  2398.95 -113.3316  430.485   46.155   22.148   23.154   10.517 23.00138 24.51827 
1 1 1  -77   15    1 o  184.415   38.853 17347.99  5634.11   0.0000   0.0000 17347.99  5634.11  ?   ?   184.415   38.853 0.000000 38.85251 
1 1 1  -77   15    2 o  182.224   41.973 17661.76  6082.30   0.0000   0.0000 17661.76  6082.30  ?   ?   182.224   41.973 0.000000 41.97299 
1 1 1  -77   15    3 o  173.742   44.145 16736.89  6240.33   0.0000   0.0000 16736.89  6240.33  ?   ?   173.742   44.145 0.000000 44.14527 
1 1 1  -77   15    4 o  180.666   48.417 19427.24  7246.60   0.0000   0.0000 19427.24  7246.60  ?   ?   180.666   48.417 0.000000 48.41699 
1 1 1  -77   15    5 o  124.933   46.281  9394.17  6234.09   0.0000   0.0000  9394.17  6234.09  ?   ?   124.933   46.281 0.000000 46.28051 
1 1 1  -77   15    6 o   81.774   37.402   0.4642  5566.52   0.0000   0.0000   0.4642  5566.52  ?   ?    81.774   37.402 0.000000 37.40232 
1 1 1  -77   15    7 f   42.882   18.946 -198.7921  1296.05 -425.1706  1318.92  6158.64  6989.43   41.582   18.692  105.614   45.353 -64.03206 49.05390 
1 1 1  -77   15    8 o   87.979   26.759  3815.17  2081.80  2913.92  2147.60 17849.97  8474.87   78.441   27.397  146.724   54.034 -68.28252 60.58289 
1 1 1  -77   15   10 o   90.625   10.711  3497.72  772.944  1524.09  2003.37  3842.90  837.813   63.472   25.478   94.893   11.082 -31.42080 27.78385 
1 1 1  -77   15   11 o  112.314   11.481  5414.61  1032.33  2643.41  2489.36  5990.17  1134.49   73.269   28.725  117.884   12.021 -44.61511 31.13843 
1 1 1  -77   15   12 o  190.861   14.766 16229.97  2270.51 11855.73  4128.22 18127.01  2718.63  132.962   36.924  198.960   16.991 -65.99788 40.64552 
1 1 1  -77   15   13 o  119.209   8.5139  6007.23  818.669  1918.54  2646.76  6439.79  860.885   64.798   27.870  123.368   8.6489 -58.56951 29.18079 
1 1 1  -77   15   14 o  104.986   8.2865  4687.37  700.641  4437.50  2612.12  4706.75  727.292   79.495   29.857  105.020   8.6046 -25.52478 31.07178 
1 1 1  -77   15   15 f   61.895   9.4942  1690.71  461.921  248.401  2445.22  1744.08  470.390   50.596   23.703   62.874   9.5112 -12.27766 25.54027 
1 1 1  -77   15   16 o   51.001   10.870  1208.00  436.391 -1512.0800  2599.97  1286.85  442.671   43.194   21.239   52.781   10.696 -9.587143 23.78018 
1 1 1  -77   15   17 o   23.746   10.197   62.659  353.301 -1382.7260  2353.87   95.971  357.349   39.630   19.621   24.405   10.361 15.22487 22.18836 
1 1 1  -77   17    1 o  130.731   41.335  9444.45  4913.09   0.0000   0.0000  9444.45  4913.09  ?   ?   130.731   41.335 0.000000 41.33488 
1 1 1  -77   17    2 o   56.611   27.256 -4159.8872  3703.61   0.0000   0.0000 -4159.8872  3703.61  ?   ?    56.611   27.256 0.000000 27.25639 
1 1 1  -77   17    3 o  113.003   43.008  7082.40  5463.03   0.0000   0.0000  7082.40  5463.03  ?   ?   113.003   43.008 0.000000 43.00842 
1 1 1  -77   17    4 o   92.171   40.327  2719.13  5741.26   0.0000   0.0000  2719.13  5741.26  ?   ?    92.171   40.327 0.000000 40.32714 
1 1 1  -77   17    5 o   96.438   42.245  3732.65  6317.12   0.0000   0.0000  3732.65  6317.12  ?   ?    96.438   42.245 0.000000 42.24492 
1 1 1  -77   17    6 o   54.569   27.297 -10417.4004  5062.83   0.0000   0.0000 -10417.4004  5062.83  ?   ?    54.569   27.297 0.000000 27.29687 
1 1 1  -77   17    7 o  114.956   49.858 10350.06  8614.19   0.0000   0.0000 10350.06  8614.19  ?   ?   114.956   49.858 0.000000 49.85797 
1 1 1  -77   17    8 f   44.808   20.235 -437.4865  1566.35 -665.1378  1592.14  6418.97  8737.68   43.777   20.016  100.223   46.213 -56.44549 50.36148 
1 1 1  -77   17    9 o   52.870   23.322  137.610  1956.06  137.610  1956.06   0.0000   0.0000   52.870   23.322  ?   ?  0.000000 23.32203 
1 1 1  -77   17   10 o  121.081   31.246  8332.46  3092.62  8332.46  3092.62   0.0000   0.0000  121.081   31.246  ?   ?  0.000000 31.24647 
1 1 1  -77   17   11 o   88.834   7.3510  3297.60  525.461  605.863  2384.13  3435.03  538.708   57.712   25.588   90.667   7.3817 -32.95469 26.63152 
1 1 1  -77   17   12 o   67.147   11.658  1998.12  612.576  2652.06  2215.88  1944.01  637.416   69.475   27.139   65.881   12.370 3.594704 29.82494 
1 1 1  -77   17   13 f   24.055   9.4768  156.188  272.188  385.031  2086.21  152.225  274.535   51.469   23.288   24.030   9.5015 27.43938 25.15144 
1 1 1  -77   17   14 o   76.059   8.6733  2502.32  526.058  3182.62  2781.80  2477.09  535.725   66.508   28.588   75.548   8.9043 -9.040192 29.94216 
1 1 1  -77   17   15 o   36.209   11.176  602.099  361.477 -3502.1880  2852.60  669.080  364.414   40.897   20.463   37.989   11.110 2.908234 23.28456 
1 1 1  -77   17   16 o   49.006   13.863  1230.34  576.334  385.401  3193.07  1258.80  585.958   47.920   23.558   49.499   13.970 -1.578922 27.38857 
1 1 1  -77   17   17 f   94.380   13.592  4595.15  1011.57  2934.65  3846.87  4718.49  1048.47   48.585   24.224   95.053   14.004 -46.46848 27.98106 
1 1 1  -77   19    1 o  114.593   41.945  7551.30  5095.78   0.0000   0.0000  7551.30  5095.78  ?   ?   114.593   41.945 0.000000 41.94476 
1 1 1  -77   19    2 o   59.881   28.836 -4141.7100  4150.43   0.0000   0.0000 -4141.7100  4150.43  ?   ?    59.881   28.836 0.000000 28.83645 
1 1 1  -77   19    3 f  180.056   51.800 22230.58  7979.75   0.0000   0.0000 22230.58  7979.75  ?   ?   180.056   51.800 0.000000 51.79967 
1 1 1  -77   19    4 o  106.444   45.334  6762.27  6880.75   0.0000   0.0000  6762.27  6880.75  ?   ?   106.444   45.334 0.000000 45.33427 
1 1 1  -77   19    5 o  115.855   48.869 10072.62  7867.78   0.0000   0.0000 10072.62  7867.78  ?   ?   115.855   48.869 0.000000 48.86859 
1 1 1  -77   19    6 o   78.251   38.079 -3747.4199  7733.53   0.0000   0.0000 -3747.4199  7733.53  ?   ?    78.251   38.079 0.000000 38.07924 
1 1 1  -77   19    7 o   99.465   45.927  6863.60  8674.17   0.0000   0.0000  6863.60  8674.17  ?   ?    99.465   45.927 0.000000 45.92712 
1 1 1  -77   19    8 o  142.111   40.369 13324.92  4876.68  7698.56  5410.32 37699.41 11261.00  102.498   41.613  179.040   62.725 -76.54144 75.27287 
1 1 1  -77   19    9 f   77.346   31.142  3157.78  3002.99  2041.16  3118.56 17390.41 11133.82   70.782   30.342  107.962   50.578 -37.17934 58.98129 
1 1 1  -77   19   10 o  140.423   12.982  8645.00  1463.43  1849.16  3923.24  9743.40  1577.27   70.612   31.943  148.968   13.176 -78.35671 34.55393 
1 1 1  -77   19   11 f  130.525   8.3111  7182.61  876.247  7676.23  3655.03  7152.51  902.568  100.687   35.693  130.085   8.5935 -29.39741 36.71307 
1 1 1  -77   19   12 o   81.855   11.020  2956.11  713.813  2114.99  3088.23  3003.58  733.681   64.480   28.821   82.376   11.264 -17.89663 30.94415 
1 1 1  -77   19   13 o   96.150   8.1545  3955.84  630.627  362.515  3352.60  4087.64  642.088   55.530   26.521   97.741   8.1653 -42.21138 27.74991 
1 1 1  -77   19   14 o   88.877   8.9589  3459.15  637.703  1829.18  3241.54  3524.77  650.414   56.548   26.738   89.650   9.0595 -33.10133 28.23150 
1 1 1  -77   19   15 o   57.737   13.567  1669.81  625.243  2054.92  3317.18  1655.62  636.654   53.009   25.591   57.252   13.847 -4.242439 29.09695 
1 1 1  -77   19   16 o   38.926   13.739  779.127  540.958  2961.88  3069.48  709.158  549.560   50.881   24.576   37.595   13.773 13.28576 28.17243 
1 1 1  -77   21    1 o   73.105   33.566 -271.3744  4542.57   0.0000   0.0000 -271.3744  4542.57  ?   ?    73.105   33.566 0.000000 33.56591 
1 1 1  -77   21    2 o   99.009   41.962  5469.83  5845.43   0.0000   0.0000  5469.83  5845.43  ?   ?    99.009   41.962 0.000000 41.96193 
1 1 1  -77   21    3 o   54.596   26.713 -5137.0620  3958.01   0.0000   0.0000 -5137.0620  3958.01  ?   ?    54.596   26.713 0.000000 26.71315 
1 1 1  -77   21    4 o  117.927   49.060 11663.19  7764.17   0.0000   0.0000 11663.19  7764.17  ?   ?   117.927   49.060 0.000000 49.05961 
1 1 1  -77   21    5 o   91.998   42.552  4163.72  7493.56   0.0000   0.0000  4163.72  7493.56  ?   ?    91.998   42.552 0.000000 42.55233 
1 1 1  -77   21    6 o  111.720   49.771 13202.15  9127.68   0.0000   0.0000 13202.15  9127.68  ?   ?   111.720   49.771 0.000000 49.77086 
1 1 1  -77   21    7 f   89.869   42.937  5228.62  8803.92   0.0000   0.0000  5228.62  8803.92  ?   ?    89.869   42.937 0.000000 42.93745 
1 1 1  -77   21    8 o   62.740   29.087   9.3466  3531.03 -984.8287  3757.84  7507.14 10319.87   60.700   28.728   89.570   43.675 -28.86971 52.27665 
1 1 1  -77   21    9 o   53.969   9.9562  1270.30  420.219  339.542  2736.66  1292.78  425.263   57.992   26.409   54.444   9.9880 3.548576 28.23427 
1 1 1  -77   21   10 o   22.920   9.6364   52.090  304.317  2718.69  3282.16   28.967  305.633   69.717   30.497   22.532   9.5744 47.18498 31.96490 
1 1 1  -77   21   11 o   51.283   8.6435  1143.15  347.116  1938.83  3506.29  1135.27  348.830   63.778   29.359   51.072   8.7252 12.70584 30.62856 
1 1 1  -77   21   12 o   50.492   12.100  1185.63  489.573 -1818.8420  3721.12  1238.56  493.866   51.081   25.174   51.673   12.001 -0.5926018 27.88763 
1 1 1  -77   21   13 o   60.801   12.919  1767.37  618.123 -57.4800  4096.02  1809.90  625.284   52.968   26.161   61.543   12.924 -8.575909 29.17958 
1 1 1  -77   21   14 o   28.684   11.757  233.424  437.090  256.055  3698.69  233.104  440.174   49.243   24.419   28.736   11.791 20.50674 27.11624 
1 1 1  -77   23    1 o   56.643   27.316 -3267.2190  3756.00   0.0000   0.0000 -3267.2190  3756.00  ?   ?    56.643   27.316 0.000000 27.31614 
1 1 1  -77   23    2 o   72.660   34.550 -1143.1090  5561.05   0.0000   0.0000 -1143.1090  5561.05  ?   ?    72.660   34.550 0.000000 34.55010 
1 1 1  -77   23    3 o   91.008   42.067  4721.65  7306.59   0.0000   0.0000  4721.65  7306.59  ?   ?    91.008   42.067 0.000000 42.06742 
1 1 1  -77   23    4 o   60.967   30.472 -8756.0400  6248.35   0.0000   0.0000 -8756.0400  6248.35  ?   ?    60.967   30.472 0.000000 30.47150 
1 1 1  -77   23    5 o   74.035   36.426 -2619.3440  7686.33   0.0000   0.0000 -2619.3440  7686.33  ?   ?    74.035   36.426 0.000000 36.42631 
1 1 1  -77   23    6 o  109.964   51.461 21579.40 11472.63   0.0000   0.0000 21579.40 11472.63  ?   ?   109.964   51.461 0.000000 51.46066 
1 1 1  -77   23    7 o   57.234   29.150 -14803.2803  7529.10   0.0000   0.0000 -14803.2803  7529.10  ?   ?    57.234   29.150 0.000000 29.15036 
1 1 1  -77   23    8 o   79.914   37.246  5288.26  5911.46  657.909  6852.59 18758.12 11687.71   70.706   34.709   92.257   45.297 -21.55176 57.06619 
1 1 1  -77   23    9 f   48.132   11.124  1043.28  426.033 -3611.5891  4873.81  1079.12  427.670   55.897   27.771   49.003   11.016 6.893379 29.87591 
1 1 1  -77   23   10 o   45.227   12.266  945.578  461.828 -652.4350  4653.07  961.476  464.120   58.178   28.568   45.598   12.267 12.57981 31.09016 
1 1 1  -77   23   11 o   43.637   13.901  904.431  554.867  9954.93  4106.21  736.098  560.003   92.561   36.700   40.234   13.994 52.32669 39.27702 
1 1 1  -77   23   12 o   27.141   11.459  125.763  433.242  3660.12  4736.12   95.939  435.066   59.762   29.237   26.723   11.391 33.03941 31.37732 
1 1 1  -77   23   13 o   44.779   14.783  1042.36  624.341 -1847.1281  4667.60  1095.01  630.002   47.306   23.976   45.767   14.837 1.538994 28.19537 
1 1 1  -77   25    1 o  114.313   46.989 13449.36  7006.52   0.0000   0.0000 13449.36  7006.52  ?   ?   114.313   46.989 0.000000 46.98945 
1 1 1  -77   25    2 o   52.976   26.323 -6099.5781  4384.10   0.0000   0.0000 -6099.5781  4384.10  ?   ?    52.976   26.323 0.000000 26.32282 
1 1 1  -77   25    3 o  107.241   47.955 15275.12  8559.14   0.0000   0.0000 15275.12  8559.14  ?   ?   107.241   47.955 0.000000 47.95463 
1 1 1  -77   25    4 o   77.796   38.341  1852.79  8634.81   0.0000   0.0000  1852.79  8634.81  ?   ?    77.796   38.341 0.000000 38.34095 
1 1 1  -77   25    5 o   90.544   44.317 14183.28 10920.60   0.0000   0.0000 14183.28 10920.60  ?   ?    90.544   44.317 0.000000 44.31677 
1 1 1  -77   25    6 o   73.380   37.012  1044.07 10340.05   0.0000   0.0000  1044.07 10340.05  ?   ?    73.380   37.012 0.000000 37.01186 
1 1 1  -77   25    7 o   71.259   36.224  1877.80 11220.37   0.0000   0.0000  1877.80 11220.37  ?   ?    71.259   36.224 0.000000 36.22387 
1 1 1  -77   25    8 o   74.437   38.078 16042.35 14106.37   0.0000   0.0000 16042.35 14106.37  ?   ?    74.437   38.078 0.000000 38.07769 
1 1 1  -77   25    9 o   70.170   36.198 24658.03 17197.88   0.0000   0.0000 24658.03 17197.88  ?   ?    70.170   36.198 0.000000 36.19765 
1 1 1  -77   25   10 o   60.177   31.242  2810.15 18000.42   0.0000   0.0000  2810.15 18000.42  ?   ?    60.177   31.242 0.000000 31.24157 
1 1 1  -77   25   11 o   52.605   27.370 -22551.1992 18201.76   0.0000   0.0000 -22551.1992 18201.76  ?   ?    52.605   27.370 0.000000 27.37003 
1 1 1  -77   27    1 o   71.414   35.121  1197.45  7117.57   0.0000   0.0000  1197.45  7117.57  ?   ?    71.414   35.121 0.000000 35.12056 
1 1 1  -77   27    2 o   75.804   37.368  4308.88  8218.95   0.0000   0.0000  4308.88  8218.95  ?   ?    75.804   37.368 0.000000 37.36836 
1 1 1  -77   27    3 o   77.458   38.612  7217.15  9749.80   0.0000   0.0000  7217.15  9749.80  ?   ?    77.458   38.612 0.000000 38.61186 
1 1 1  -77   27    4 o   74.052   36.898  5682.51  8862.75   0.0000   0.0000  5682.51  8862.75  ?   ?    74.052   36.898 0.000000 36.89791 
1 1 1  -77   27    5 o   66.130   33.757 -1556.1150 10568.15   0.0000   0.0000 -1556.1150 10568.15  ?   ?    66.130   33.757 0.000000 33.75705 
1 1 1  -77   27    6 o   51.459   26.425 -14700.7900  7531.08   0.0000   0.0000 -14700.7900  7531.08  ?   ?    51.459   26.425 0.000000 26.42542 
1 1 1  -77   27    7 o   66.305   34.164 11544.43 14575.29   0.0000   0.0000 11544.43 14575.29  ?   ?    66.305   34.164 0.000000 34.16359 
1 1 1  -77   27    8 o   57.365   29.697 -6518.8721 13281.42   0.0000   0.0000 -6518.8721 13281.42  ?   ?    57.365   29.697 0.000000 29.69712 
1 1 1  -76    0    1 o  313.871   30.389 42755.75  7577.93 42755.75  7577.93   0.0000   0.0000  313.871   30.389  313.871   30.389 0.000000 0.000000 
1 1 1  -76    0    2 o  161.930   30.342 12060.68  3579.36   0.0000   0.0000 12060.68  3579.36  161.930   30.342  161.930   30.342 -0.000000 0.000000 
1 1 1  -76    0    3 o  112.456   10.256  5284.79  918.533   0.0000   0.0000  5284.79  918.533  112.456   10.256  112.456   10.256 -0.000000 0.000000 
1 1 1  -76    0    4 o  254.073   17.354 26930.62  3541.84   0.0000   0.0000 26930.62  3541.84  254.073   17.354  254.073   17.354 -0.000000 0.000000 
1 1 1  -76    0    5 o  317.325   21.204 42292.35  5407.31 42292.35  5407.31   0.0000   0.0000  317.325   21.204  317.325   21.204 0.000000 0.000000 
1 1 1  -76    0    6 o   22.975   13.299  266.303  403.541   0.0000   0.0000  266.303  403.541   22.975   13.299   22.975   13.299 -0.000000 0.000000 
1 1 1  -76    0    7 o   25.164   14.442  330.530  469.624  330.530  469.624   0.0000   0.0000   25.164   14.442   25.164   14.442 0.000000 0.000000 
1 1 1  -76    0    8 o  216.621   18.072 19801.32  3127.75 19801.32  3127.75   0.0000   0.0000  216.621   18.072  216.621   18.072 0.000000 0.000000 
1 1 1  -76    0    9 o   13.203   9.3918 -605.0863  435.440 -605.0863  435.440   0.0000   0.0000   13.203   9.3918   13.203   9.3918 0.000000 0.000000 
1 1 1  -76    0   10 o   40.122   20.136  988.105  805.244  988.105  805.244   0.0000   0.0000   40.122   20.136   40.122   20.136 0.000000 0.000000 
1 1 1  -76    0   11 o   41.979   21.085  1087.94  883.356  1087.94  883.356   0.0000   0.0000   41.979   21.085   41.979   21.085 0.000000 0.000000 
1 1 1  -76    0   12 f   34.748   19.688  677.333  857.462  677.333  857.462   0.0000   0.0000   34.748   19.688   34.748   19.688 0.000000 0.000000 
1 1 1  -76    0   13 o  114.625   18.035  5857.33  1554.38  5857.33  1554.38   0.0000   0.0000  114.625   18.035  114.625   18.035 0.000000 0.000000 
1 1 1  -76    0   14 o   46.338   23.549  1358.71  1109.48  1358.71  1109.48   0.0000   0.0000   46.338   23.549   46.338   23.549 0.000000 0.000000 
1 1 1  -76    0   15 o   43.094   23.761  1147.77  1208.05  1147.77  1208.05   0.0000   0.0000   43.094   23.761   43.094   23.761 0.000000 0.000000 
1 1 1  -76    0   16 o   30.665   19.208  285.637  988.460  285.637  988.460   0.0000   0.0000   30.665   19.208   30.665   19.208 0.000000 0.000000 
1 1 1  -76    0   17 o   52.703   26.788  1865.07  1435.79   0.0000   0.0000  1865.07  1435.79   52.703   26.788   52.703   26.788 -0.000000 0.000000 
1 1 1  -76    0   18 o   44.093   25.227  1256.61  1426.01   0.0000   0.0000  1256.61  1426.01   44.093   25.227   44.093   25.227 -0.000000 0.000000 
1 1 1  -76    0   19 o   47.203   25.270  1563.04  1326.51   0.0000   0.0000  1563.04  1326.51   47.203   25.270   47.203   25.270 -0.000000 0.000000 
1 1 1  -76    0   20 o   16.588   12.243 -3650.7849  1237.40   0.0000   0.0000 -3650.7849  1237.40   16.588   12.243   16.588   12.243 -0.000000 0.000000 
1 1 1  -76    2    1 o   64.848   19.525  1779.70  1112.44  3010.47  1466.40  111.135  1707.40   83.046   21.558   53.070   22.592 29.97557 31.22737 
1 1 1  -76    2    2 o  104.662   10.512  4531.27  881.223  5185.30  936.800 -495.2836  2597.08  112.046   10.416   60.853   26.857 51.19276 28.80611 
1 1 1  -76    2    3 o   83.171   10.282  2875.67  679.591  3001.80  704.902  1213.27  2559.02   84.972   10.436   71.171   28.715 13.80059 30.55274 
1 1 1  -76    2    4 o  182.018   11.856 13679.05  1742.71 11309.97  4215.76 14167.32  1913.90  156.298   34.172  184.994   12.821 -28.69591 36.49747 
1 1 1  -76    2    5 o  156.646   9.4250 10085.65  1193.20  9183.02  1718.29 10926.24  1658.19  148.198   14.464  162.283   12.685 -14.08504 19.23835 
1 1 1  -76    2    6 o  225.277   12.642 21029.70  2303.10 19439.48  3329.92 22488.01  3188.83  213.650   19.407  231.069   17.118 -17.41876 25.87762 
1 1 1  -76    2    7 o  195.716   11.535 15860.23  1825.06 14884.13  2649.26 16741.86  2517.80  187.156   17.642  199.491   15.670 -12.33549 23.59607 
1 1 1  -76    2    8 o  189.785   11.359 14938.97  1742.32 15740.60  2538.93 14225.44  2395.36  192.675   16.384  183.158   16.276 9.517624 23.09472 
1 1 1  -76    2    9 o  291.233   15.932 35930.95  3753.31 36961.22  5376.59 34951.64  5241.92  288.897   23.114  280.813   23.197 8.083527 32.74729 
1 1 1  -76    2   10 o  133.359   10.296  7402.24  1106.22  7902.65  1636.11  6980.84  1501.42  135.976   15.072  127.857   14.732 8.118767 21.07604 
1 1 1  -76    2   11 o  150.013   11.175  9426.84  1351.46  7817.02  2018.62 10734.54  1819.37  132.534   19.327  158.636   14.278 -26.10234 24.02866 
1 1 1  -76    2   12 o  206.905   13.293 18207.97  2221.41 16062.89  3214.16 20169.60  3073.64  187.629   21.485  214.000   17.852 -26.37137 27.93350 
1 1 1  -76    2   13 o   31.609   13.692 -26.6469  648.083 -411.6685  981.295  271.207  863.095   35.146   15.930   39.459   16.381 -4.313522 22.85015 
1 1 1  -76    2   14 o   46.797   16.114  920.656  741.698  1466.34  1154.86  537.565  967.637   57.454   20.089   43.880   17.674 13.57378 26.75718 
1 1 1  -76    2   15 o   19.287   9.4960 -1056.4570  525.320 -1833.5770  965.908 -730.0495  625.997   26.151   12.876   24.196   11.529 1.955626 17.28335 
1 1 1  -76    2   16 o   21.739   10.724 -1360.0710  680.902 -2310.0161  1031.40 -626.2174  906.526   25.413   12.650   31.178   14.549 -5.764721 19.27993 
1 1 1  -76    2   17 o   53.458   17.641  1411.37  889.059  1912.95  1374.56  1050.62  1165.73   59.864   21.804   49.396   19.564 10.46774 29.29459 
1 1 1  -76    2   18 o   47.412   18.487  1071.58  1026.86  3128.02  1474.68 -864.0698  1430.71   71.546   22.648   36.628   17.447 34.91849 28.58922 
1 1 1  -76    2   19 o   54.054   20.184  1814.21  1190.34  144.021  1769.21  3195.54  1608.96   42.653   20.039   66.118   23.656 -23.46516 31.00264 
1 1 1  -76    2   20 o   39.050   17.616  579.199  1183.52  1085.61  1814.29  204.069  1561.51   44.013   20.554   38.901   18.442 5.112167 27.61464 
1 1 1  -76    4    1 o  212.832   12.711 18702.75  2186.62 18134.11  2452.07 20910.84  4831.94  209.022   14.538  218.539   27.864 -9.516617 31.42915 
1 1 1  -76    4    2 o  265.040   14.777 29139.24  3167.46 27600.44  3612.68 34253.54  6586.16  256.859   17.425  278.995   29.522 -22.13553 34.28090 
1 1 1  -76    4    3 o  185.506   13.599 14275.22  2034.11 14275.22  2034.11   0.0000   0.0000  185.506   13.599  ?   ?  0.000000 13.59933 
1 1 1  -76    4    4 o   88.511   11.641  3274.99  816.332  3274.99  816.332   0.0000   0.0000   88.511   11.641  ?   ?  0.000000 11.64110 
1 1 1  -76    4    5 o   35.866   9.5417  545.682  282.728  211.998  560.775  659.409  327.382   33.345   13.446   39.357   10.171 -6.012375 16.85970 
1 1 1  -76    4    6 o  199.058   11.246 16370.75  1810.27 17713.75  2705.06 15281.43  2436.21  205.143   16.376  190.659   15.881 14.48451 22.81230 
1 1 1  -76    4    7 o  138.886   9.4815  7957.52  1062.84  8200.33  1671.47  7792.70  1377.11  139.377   15.006  136.621   12.555 2.755997 19.56531 
1 1 1  -76    4    8 o   98.134   9.0217  3988.21  710.810  3098.81  1172.64  4504.83  893.717   84.022   17.745  103.940   10.745 -19.91872 20.74430 
1 1 1  -76    4    9 o  136.837   10.153  7771.61  1120.01  7496.20  1781.96  7951.46  1439.99  131.819   17.048  137.456   13.059 -5.636734 21.47497 
1 1 1  -76    4   10 o  245.526   14.366 25507.58  2851.56 23935.29  4164.86 26895.03  3912.39  231.214   22.468  247.908   19.596 -16.69373 29.81315 
1 1 1  -76    4   11 o  116.587   10.646  5698.60  996.703  4971.98  1557.30  6202.75  1297.19  105.358   18.898  120.568   13.481 -15.20984 23.21392 
1 1 1  -76    4   12 o   35.655   13.547  403.708  541.425  893.800  931.993  154.057  665.182   48.739   17.923   34.360   14.332 14.37909 22.94916 
1 1 1  -76    4   13 o   21.646   10.422 -781.4176  541.785 -667.3939  1022.22 -825.9606  638.903   34.033   15.733   24.068   11.518 9.964405 19.49793 
1 1 1  -76    4   14 o   67.643   14.240  2053.91  757.365  1756.67  1247.26  2227.51  953.221   61.552   20.903   69.312   17.054 -7.759872 26.97742 
1 1 1  -76    4   15 o   33.293   13.925  173.550  630.308 -314.3788  1144.56  385.932  755.128   38.122   17.249   38.387   15.560 -0.2653351 23.22980 
1 1 1  -76    4   16 o   48.112   16.437  1050.40  771.273  1313.30  1386.83  932.674  928.029   54.652   21.436   47.247   17.786 7.404636 27.85394 
1 1 1  -76    4   17 o   30.808   14.231 -413.1935  834.175 -94.1355  1388.90 -593.2264  1043.31   41.529   18.874   33.354   15.580 8.174149 24.47315 
1 1 1  -76    4   18 o   83.261   17.527  3601.29  1147.47  5697.75  1916.45  2429.69  1432.66   95.001   24.637   62.838   22.339 32.16271 33.25672 
1 1 1  -76    4   19 o   45.827   18.944  1107.92  1147.08  1373.64  1772.52  916.441  1504.64   49.071   21.891   45.372   20.211 3.698765 29.79440 
1 1 1  -76    4   20 o   26.076   12.973 -1691.2510  1078.77 -4321.9321  1706.42   60.012  1392.28   27.241   13.875   36.877   17.463 -9.636465 22.30373 
1 1 1  -76    6    1 o   56.068   24.434 -192.2861  2089.26   0.0000   0.0000 -192.2861  2089.26  ?   ?    56.068   24.434 0.000000 24.43449 
1 1 1  -76    6    2 o   72.433   11.250  2204.02  640.184  1627.52  660.688 11061.94  2589.79   61.626   13.571  160.917   20.271 -99.29111 24.39408 
1 1 1  -76    6    3 f  149.583   12.167  9272.09  1464.91  8683.41  1559.01 13711.89  4281.44  144.396   13.452  173.609   31.534 -29.21274 34.28316 
1 1 1  -76    6    4 o   54.391   13.670  1271.23  603.001  1171.29  612.116  4552.01  3507.20   52.295   14.096  101.551   35.037 -49.25567 37.76625 
1 1 1  -76    6    5 o  193.947   13.222 15637.35  2069.81 13894.89  2224.57 26869.76  5648.08  182.086   15.185  244.813   28.976 -62.72757 32.71363 
1 1 1  -76    6    6 o  186.074   11.104 14318.10  1670.06 10237.46  2637.07 17050.64  2157.95  153.115   21.829  202.372   13.205 -49.25706 25.51254 
1 1 1  -76    6    7 o  127.220   11.827  6750.71  1207.71   0.0000   0.0000  6750.71  1207.71  ?   ?   127.220   11.827 0.000000 11.82681 
1 1 1  -76    6    8 o  183.221   10.956 13926.62  1622.37 15770.32  2517.20 12616.55  2121.87  192.623   16.246  172.606   15.299 20.01736 22.31532 
1 1 1  -76    6    9 o   38.169   11.978  601.970  413.294 -433.9738  841.286  931.520  474.500   32.472   14.731   46.469   12.361 -13.99699 19.22978 
1 1 1  -76    6   10 f  103.077   9.6996  4430.60  802.261  5450.27  1412.11  3944.62  974.873  112.115   15.963   96.260   12.789 15.85458 20.45434 
1 1 1  -76    6   11 o   28.986   12.117   85.879  476.854  230.569  1023.78   45.792  538.877   42.130   17.692   30.021   12.733 12.10871 21.79751 
1 1 1  -76    6   12 o   61.635   12.569  1659.56  607.692  2822.45  1159.21  1218.87  713.608   78.478   18.495   52.559   15.596 25.91858 24.19267 
1 1 1  -76    6   13 o  199.320   12.830 17017.93  2065.32 18704.66  3122.79 15706.52  2753.54  202.671   19.206  186.411   18.434 16.25948 26.62055 
1 1 1  -76    6   14 o  200.391   13.976 17551.89  2259.83 15163.44  3351.51 19543.04  3060.09  174.422   24.327  206.187   18.474 -31.76564 30.54660 
1 1 1  -76    6   15 o   99.583   13.426  4408.06  1057.89  4419.49  1715.09  4401.04  1344.02   92.448   22.954   96.511   17.807 -4.063667 29.05123 
1 1 1  -76    6   16 o   40.627   16.257  538.552  812.882  1351.57  1399.03  124.193  998.772   54.803   21.519   38.719   16.883 16.08413 27.35154 
1 1 1  -76    6   17 o   27.551   13.169 -860.0516  830.118 -794.6567  1658.73 -881.9025  958.828   40.488   19.139   29.952   14.271 10.53649 23.87425 
1 1 1  -76    6   18 f   36.923   16.204  221.898  933.203 -186.6449  1635.71  419.045  1136.27   41.628   19.465   40.940   17.926 0.6882362 26.46174 
1 1 1  -76    6   19 o   51.706   18.909  1632.49  1035.27  3038.27  1931.09  1065.51  1226.40   59.518   24.589   45.096   19.171 14.42231 31.17937 
1 1 1  -76    6   20 o   53.873   20.074  2199.88  1176.22  2327.18  2129.58  2144.00  1410.96   48.217   22.433   50.701   20.988 -2.483814 30.72065 
1 1 1  -76    8    1 o  192.158   30.270 16625.25  4566.70   0.0000   0.0000 16625.25  4566.70  ?   ?   192.158   30.270 0.000000 30.27049 
1 1 1  -76    8    2 o  145.773   33.627  9926.40  3899.04   0.0000   0.0000  9926.40  3899.04  ?   ?   145.773   33.627 0.000000 33.62675 
1 1 1  -76    8    3 o  211.596   36.440 21080.63  6034.80   0.0000   0.0000 21080.63  6034.80  ?   ?   211.596   36.440 0.000000 36.43995 
1 1 1  -76    8    4 o   46.624   14.870  889.916  634.781  699.158  646.504  6007.32  3348.53   43.145   15.034  112.979   33.843 -69.83408 37.03195 
1 1 1  -76    8    5 o   59.006   14.638  1506.24  697.938  1433.47  710.922  3444.11  3668.65   57.579   15.041   92.880   35.270 -35.30082 38.34290 
1 1 1  -76    8    6 o  212.243   15.862 18995.78  2713.80 15105.40  2945.28 40868.73  6983.67  187.255   19.665  299.918   29.041 -112.6636 35.07283 
1 1 1  -76    8    7 o  339.516   19.245 49482.41  5283.69 43956.07  7711.62 54372.19  7253.89  306.576   31.423  348.564   25.814 -41.98715 40.66634 
1 1 1  -76    8    8 o   86.482   8.8128  3105.74  610.192  2968.24  1216.91  3151.92  705.261   81.685   18.745   86.807   10.200 -5.121292 21.34060 
1 1 1  -76    8    9 o  195.929   12.426 16090.74  1966.55 13794.83  3041.25 17740.53  2578.04  175.770   21.775  203.901   15.692 -28.13155 26.84048 
1 1 1  -76    8   10 o  106.380   10.158  4734.54  866.763  2923.38  1532.51  5586.40  1051.02   79.361   22.660  115.216   11.383 -35.85586 25.35876 
1 1 1  -76    8   11 o  186.676   12.175 14714.53  1835.37 14004.38  2875.05 15203.00  2384.46  176.104   20.490  187.324   15.825 -11.22063 25.88926 
1 1 1  -76    8   12 f  154.980   11.627 10174.13  1452.50  8389.00  2367.66 11251.41  1839.28  133.255   22.696  161.431   14.176 -28.17572 26.75924 
1 1 1  -76    8   13 o  129.390   11.596  7148.92  1205.34  6385.50  2035.67  7561.07  1495.73  114.784   22.646  131.503   14.235 -16.71848 26.74863 
1 1 1  -76    8   14 o  100.794   13.688  4490.55  1091.24  3233.97  1822.36  5193.00  1362.53   78.432   25.214  106.853   16.214 -28.42074 29.97733 
1 1 1  -76    8   15 f   83.877   14.938  3224.75  980.038  6815.87  1801.58  1715.41  1167.97  118.626   19.373   59.409   20.228 59.21674 28.00826 
1 1 1  -76    8   16 o   49.579   16.697  1156.64  795.741  1353.54  1537.08  1084.54  930.078   54.964   22.227   48.926   17.918 6.038006 28.54988 
1 1 1  -76    8   17 o   43.604   16.243  849.971  769.992 -972.1909  1610.12  1390.24  876.744   38.740   18.468   52.335   17.527 -13.59469 25.46103 
1 1 1  -76    8   18 o   55.494   9.8251  1394.56  426.507  3012.16  2077.65  1323.39  435.788   62.334   25.601   53.725   10.365 8.609528 27.62018 
1 1 1  -76    8   19 f   24.752   10.519  102.740  369.050  422.486  1673.30   86.391  378.367   41.835   19.602   24.713   10.581 17.12175 22.27512 
1 1 1  -76    8   20 o   61.499   11.967  1928.24  576.075  1079.95  1998.95  2005.08  601.598   41.847   20.117   62.365   12.317 -20.51771 23.58810 
1 1 1  -76   10    1 o  133.099   33.264  8338.92  3584.84   0.0000   0.0000  8338.92  3584.84  ?   ?   133.099   33.264 0.000000 33.26360 
1 1 1  -76   10    2 o  203.720   33.928 19336.45  5414.79   0.0000   0.0000 19336.45  5414.79  ?   ?   203.720   33.928 0.000000 33.92803 
1 1 1  -76   10    3 o  265.112   36.493 33315.23  7647.31   0.0000   0.0000 33315.23  7647.31  ?   ?   265.112   36.493 0.000000 36.49287 
1 1 1  -76   10    4 o  299.624   39.386 43802.55  9349.92   0.0000   0.0000 43802.55  9349.92  ?   ?   299.624   39.386 0.000000 39.38634 
1 1 1  -76   10    5 f  180.343   41.987 16747.36  6033.43   0.0000   0.0000 16747.36  6033.43  ?   ?   180.343   41.987 0.000000 41.98745 
1 1 1  -76   10    6 o  177.992   16.804 13495.20  2399.87 11912.28  2561.22 24884.25  6870.07  165.866   19.383  222.130   39.540 -56.26353 44.03516 
1 1 1  -76   10    7 o   41.661   15.781  548.461  733.388  548.461  733.388   0.0000   0.0000   41.661   15.781  ?   ?  0.000000 15.78144 
1 1 1  -76   10    8 o  226.754   17.802 22172.08  3251.28   0.0000   0.0000 22172.08  3251.28  ?   ?   226.754   17.802 0.000000 17.80185 
1 1 1  -76   10    9 o  125.000   9.5136  6494.72  958.349  7012.52  1674.02  6242.29  1168.84  127.032   16.629  121.709   11.983 5.322708 20.49665 
1 1 1  -76   10   10 o  116.691   9.7148  5684.38  912.106  5822.77  1696.76  5628.13  1081.69  113.958   19.007  115.401   11.706 -1.442284 22.32231 
1 1 1  -76   10   11 o  110.353   10.567  5131.54  935.291  4200.71  1660.13  5564.36  1132.05   94.258   22.079  114.187   12.410 -19.92947 25.32718 
1 1 1  -76   10   12 o  156.944   11.660 10465.12  1475.20 10005.66  2420.51 10736.64  1860.70  146.598   20.929  156.910   14.779 -10.31210 25.62086 
1 1 1  -76   10   13 o  113.662   11.762  5554.68  1069.80  5108.56  1868.95  5772.09  1304.68  101.314   23.216  114.379   14.365 -13.06463 27.30110 
1 1 1  -76   10   14 o  141.187   12.256  8664.54  1391.12  7606.10  2364.75  9224.68  1720.28  120.659   24.961  143.435   14.992 -22.77631 29.11716 
1 1 1  -76   10   15 o   46.635   16.625  951.272  793.979  2655.95  1354.55   59.021  979.982   71.248   21.566   37.998   16.642 33.25038 27.24065 
1 1 1  -76   10   16 o   38.638   11.726  671.328  400.094  1676.10  1670.83  610.210  412.083   57.585   23.213   37.170   11.994 20.41465 26.12912 
1 1 1  -76   10   17 o   35.454   11.892  558.139  403.644   94.304  1575.49  590.724  417.581   43.281   19.834   36.303   12.095 6.977848 23.23072 
1 1 1  -76   10   18 o   21.283   9.4988 -71.8490  334.109  2547.37  1648.88 -183.9932  341.187   59.258   23.332   20.002   9.1896 39.25565 25.07621 
1 1 1  -76   10   19 o   55.325   12.229  1534.33  534.719  2555.05  1952.18  1451.54  555.982   52.452   23.210   53.072   13.004 -0.6195869 26.60472 
1 1 1  -76   12    1 o   39.348   19.490 -5099.9219  2332.64   0.0000   0.0000 -5099.9219  2332.64  ?   ?    39.348   19.490 0.000000 19.49026 
1 1 1  -76   12    2 o  121.595   37.323  7254.15  4037.97   0.0000   0.0000  7254.15  4037.97  ?   ?   121.595   37.323 0.000000 37.32298 
1 1 1  -76   12    3 o  173.765   42.334 15585.89  5917.88   0.0000   0.0000 15585.89  5917.88  ?   ?   173.765   42.334 0.000000 42.33360 
1 1 1  -76   12    4 o  235.729   43.536 28807.79  8026.00   0.0000   0.0000 28807.79  8026.00  ?   ?   235.729   43.536 0.000000 43.53603 
1 1 1  -76   12    5 o  156.223   46.742 13758.24  6390.24   0.0000   0.0000 13758.24  6390.24  ?   ?   156.223   46.742 0.000000 46.74179 
1 1 1  -76   12    6 o   88.431   21.152  3527.71  1498.31  3014.80  1555.71 10096.29  5567.31   81.483   22.680  134.381   44.134 -52.89761 49.62087 
1 1 1  -76   12    7 o  195.813   19.471 16747.42  3054.74 13984.63  3274.77 35259.43  8476.83  176.037   23.497  256.198   42.220 -80.16113 48.31835 
1 1 1  -76   12    8 o  116.462   19.711  6054.57  1797.41  6054.57  1797.41   0.0000   0.0000  116.462   19.711  ?   ?  0.000000 19.71066 
1 1 1  -76   12    9 o   53.533   10.443  1230.16  437.635  1368.09  1165.47  1207.51  472.189   57.570   20.178   52.829   11.346 4.740547 23.14978 
1 1 1  -76   12   10 o  110.993   11.017  5200.29  979.784  499.252  1856.70  7014.62  1153.46   55.329   23.557  129.012   11.120 -73.68340 26.04927 
1 1 1  -76   12   11 o  135.177   11.701  7762.78  1271.62  4300.58  2296.82  9293.10  1527.01   91.187   28.175  147.305   12.897 -56.11831 30.98664 
1 1 1  -76   12   12 o   83.584   12.009  3024.57  791.586 -66.1587  1617.53  3997.88  907.709   47.423   21.049   96.364   11.851 -48.94133 24.15564 
1 1 1  -76   12   13 o   87.461   12.365  3345.20  853.660  1723.23  1739.70  3859.60  979.718   62.313   24.128   93.567   13.267 -31.25385 27.53514 
1 1 1  -76   12   14 o  126.541   8.8034  6767.86  898.896  2565.33  2323.56  7507.52  974.795   69.404   27.579  133.145   9.0708 -63.74182 29.03215 
1 1 1  -76   12   15 o   84.828   8.6105  3072.86  584.851  3060.55  1950.31  3074.08  613.065   71.769   25.998   84.626   9.0630 -12.85631 27.53229 
1 1 1  -76   12   16 o   75.855   9.3442  2511.56  563.357  2690.18  2031.63  2496.68  586.351   64.903   25.789   75.364   9.8149 -10.46076 27.59339 
1 1 1  -76   12   17 o   49.667   11.470  1157.45  453.221 -2316.3970  2054.25  1335.20  464.671   37.352   18.463   53.694   11.027 -16.34163 21.50577 
1 1 1  -76   12   18 o   20.170   9.2995 -193.7813  353.692 -512.8144  1805.64 -181.0517  360.680   39.125   18.886   20.546   9.4428 18.57849 21.11527 
1 1 1  -76   12   19 o   24.944   10.551  139.754  368.401 -1131.8690  2051.30  182.136  374.490   36.127   17.960   25.798   10.757 10.32957 20.93511 
1 1 1  -76   14    1 o  144.349   37.311 10418.87  4404.97   0.0000   0.0000 10418.87  4404.97  ?   ?   144.349   37.311 0.000000 37.31130 
1 1 1  -76   14    2 o  102.779   37.474  4892.44  4061.65   0.0000   0.0000  4892.44  4061.65  ?   ?   102.779   37.474 0.000000 37.47382 
1 1 1  -76   14    3 o  143.488   44.628 11316.43  5751.69   0.0000   0.0000 11316.43  5751.69  ?   ?   143.488   44.628 0.000000 44.62776 
1 1 1  -76   14    4 o   78.251   34.807  152.734  4446.09   0.0000   0.0000  152.734  4446.09  ?   ?    78.251   34.807 0.000000 34.80678 
1 1 1  -76   14    5 o  215.486   49.716 27157.08  8521.70   0.0000   0.0000 27157.08  8521.70  ?   ?   215.486   49.716 0.000000 49.71634 
1 1 1  -76   14    6 o  156.847   50.047 15576.66  7189.88   0.0000   0.0000 15576.66  7189.88  ?   ?   156.847   50.047 0.000000 50.04736 
1 1 1  -76   14    7 o   46.763   18.034  684.774  968.897  751.182  980.426 -2089.1670  6336.53   47.781   18.212   80.197   37.756 -32.41567 41.91840 
1 1 1  -76   14    8 o   34.259   15.518 -428.6518  929.266 -428.6518  929.266   0.0000   0.0000   34.259   15.518  ?   ?  0.000000 15.51772 
1 1 1  -76   14   10 o  101.400   9.9489  4328.32  808.575  4734.58  1966.09  4245.62  887.065   98.122   24.696   99.982   11.115 -1.860641 27.08189 
1 1 1  -76   14   11 o   32.872   12.008  385.822  417.352  1308.44  1563.74  315.061  433.061   58.421   22.804   31.721   12.100 26.69965 25.81579 
1 1 1  -76   14   12 o   71.275   8.1115  2138.67  461.077  1530.23  1934.45  2175.32  474.760   61.917   24.972   71.834   8.2919 -9.916702 26.31229 
1 1 1  -76   14   13 o  216.099   11.470 20116.06  2005.47 14957.30  4380.46 21484.08  2255.76  151.478   36.123  222.085   12.561 -70.60698 38.24431 
1 1 1  -76   14   14 o  172.073   9.9547 12692.84  1384.90 10331.03  3428.96 13153.20  1513.86  124.038   33.332  174.423   10.741 -50.38493 35.02029 
1 1 1  -76   14   15 o  133.613   9.2222  7681.81  994.378  5654.38  2733.32  7991.07  1067.53   86.993   30.863  135.846   9.7429 -48.85315 32.36465 
1 1 1  -76   14   16 o   25.186   10.396  128.570  344.695 -1515.5610  2174.57  170.945  349.109   41.487   20.190   26.108   10.581 15.37902 22.79403 
1 1 1  -76   14   17 f   43.815   12.479  938.106  465.385 -1615.8010  2194.88  1058.33  476.213   39.364   19.387   46.575   12.380 -7.210693 23.00231 
1 1 1  -76   14   18 o   86.969   12.844  3783.95  879.680  3913.73  2704.20  3768.59  930.278   55.685   25.688   85.514   13.873 -29.82861 29.19493 
1 1 1  -76   16    1 o   52.291   24.849 -2862.4580  2867.48   0.0000   0.0000 -2862.4580  2867.48  ?   ?    52.291   24.849 0.000000 24.84853 
1 1 1  -76   16    2 o  246.229   41.542 31707.44  8009.99   0.0000   0.0000 31707.44  8009.99  ?   ?   246.229   41.542 0.000000 41.54246 
1 1 1  -76   16    3 o  102.429   39.868  4949.13  4768.83   0.0000   0.0000  4949.13  4768.83  ?   ?   102.429   39.868 0.000000 39.86768 
1 1 1  -76   16    4 o  120.606   45.034  8288.98  5926.00   0.0000   0.0000  8288.98  5926.00  ?   ?   120.606   45.034 0.000000 45.03418 
1 1 1  -76   16    5 o  132.022   47.554 10905.33  6512.56   0.0000   0.0000 10905.33  6512.56  ?   ?   132.022   47.554 0.000000 47.55448 
1 1 1  -76   16    6 o   63.615   30.891 -5518.8760  5017.84   0.0000   0.0000 -5518.8760  5017.84  ?   ?    63.615   30.891 0.000000 30.89126 
1 1 1  -76   16    7 o  163.614   57.890 22357.57  9610.15   0.0000   0.0000 22357.57  9610.15  ?   ?   163.614   57.890 0.000000 57.89004 
1 1 1  -76   16    8 o   43.653   20.327 -1176.6670  1754.41 -2084.9480  1796.59 17491.17  8144.89   40.145   19.238  146.715   53.131 -106.5698 56.50706 
1 1 1  -76   16   10 o  115.549   11.511  5699.79  1065.63  1227.22  2591.82  6609.67  1169.01   65.041   27.765  124.400   11.711 -59.35880 30.13395 
1 1 1  -76   16   11 o   20.156   8.3218   54.561  220.975 -487.8951  1686.47   64.037  222.897   45.296   20.667   20.454   8.3914 24.84133 22.30577 
1 1 1  -76   16   12 o  109.595   11.551  5203.62  1012.46  1726.52  2584.58  5833.91  1100.40   65.276   27.792  115.908   11.859 -50.63220 30.21685 
1 1 1  -76   16   13 o  141.780   9.1258  8539.93  1044.98  4729.60  3168.72  9004.88  1106.91   82.428   32.379  145.387   9.4274 -62.95908 33.72371 
1 1 1  -76   16   14 o  164.841   9.9506 11744.34  1325.60  8373.23  3716.84 12235.63  1418.91   97.816   35.820  167.722   10.471 -69.90629 37.31914 
1 1 1  -76   16   15 o   42.030   11.331  815.218  395.511 -1239.4260  2220.24  882.556  401.940   43.306   20.914   43.738   11.253 -0.4321518 23.74887 
1 1 1  -76   16   16 o   44.106   12.033  931.761  442.917  2767.47  2780.21  883.958  448.647   58.336   26.586   42.893   12.265 15.44324 29.27851 
1 1 1  -76   16   17 o   54.466   12.953  1494.98  564.498   71.669  3104.48  1543.65  574.068   45.580   22.561   55.337   12.998 -9.756775 26.03698 
1 1 1  -76   18    1 o  140.455   42.379 11119.33  5236.84   0.0000   0.0000 11119.33  5236.84  ?   ?   140.455   42.379 0.000000 42.37938 
1 1 1  -76   18    2 o  159.160   45.991 15046.65  6277.99   0.0000   0.0000 15046.65  6277.99  ?   ?   159.160   45.991 0.000000 45.99113 
1 1 1  -76   18    3 o   51.607   25.465 -6757.0811  3848.50   0.0000   0.0000 -6757.0811  3848.50  ?   ?    51.607   25.465 0.000000 25.46468 
1 1 1  -76   18    4 o   87.745   39.252  1607.36  5740.24   0.0000   0.0000  1607.36  5740.24  ?   ?    87.745   39.252 0.000000 39.25171 
1 1 1  -76   18    5 o   95.308   42.151  3469.30  6429.69   0.0000   0.0000  3469.30  6429.69  ?   ?    95.308   42.151 0.000000 42.15050 
1 1 1  -76   18    6 o   92.772   41.862  2988.48  6688.82   0.0000   0.0000  2988.48  6688.82  ?   ?    92.772   41.862 0.000000 41.86226 
1 1 1  -76   18    7 o   87.766   41.363  869.755  7642.04   0.0000   0.0000  869.755  7642.04  ?   ?    87.766   41.363 0.000000 41.36287 
1 1 1  -76   18    8 o   24.077   11.584 -935.4170  666.141 -899.4448  668.168 -6839.3369  8559.96   24.364   11.691   75.544   37.404 -51.17928 39.18872 
1 1 1  -76   18    9 o   69.261   28.223  1967.38  2500.06  1967.38  2500.06   0.0000   0.0000   69.261   28.223  ?   ?  0.000000 28.22269 
1 1 1  -76   18   10 o   46.229   10.636  937.922  390.945  857.671  2318.78  940.270  396.623   59.672   25.874   46.260   10.762 13.41167 28.02289 
1 1 1  -76   18   11 o   98.034   7.6201  4021.98  601.795  3364.94  2728.01  4055.59  616.995   76.778   30.078   98.380   7.7875 -21.60213 31.07021 
1 1 1  -76   18   12 o   44.584   13.694  897.997  543.472 -783.8744  2361.28  992.076  558.466   49.355   23.176   46.624   13.788 2.730755 26.96738 
1 1 1  -76   18   13 o   34.371   10.843  514.721  338.212  -3.7781  2329.07  525.890  341.836   51.011   23.640   34.694   10.894 16.31660 26.02914 
1 1 1  -76   18   14 o   24.328   9.7094  154.858  289.153 -2576.4309  2453.89  193.316  291.181   41.508   20.453   25.253   9.8452 16.25486 22.69943 
1 1 1  -76   18   15 o   29.134   10.944  321.003  351.035  2057.70  2761.55  292.480  353.906   56.142   25.920   28.555   10.928 27.58690 28.12940 
1 1 1  -76   18   16 o   54.431   13.992  1524.59  621.809  307.046  3341.69  1568.25  632.862   47.564   23.518   55.151   14.083 -7.587814 27.41222 
1 1 1  -76   20    1 o  152.824   45.968 14568.86  6168.40   0.0000   0.0000 14568.86  6168.40  ?   ?   152.824   45.968 0.000000 45.96825 
1 1 1  -76   20    2 o  235.357   50.887 35526.44  9441.42   0.0000   0.0000 35526.44  9441.42  ?   ?   235.357   50.887 0.000000 50.88726 
1 1 1  -76   20    3 o  166.791   52.039 19898.14  7813.60   0.0000   0.0000 19898.14  7813.60  ?   ?   166.791   52.039 0.000000 52.03850 
1 1 1  -76   20    4 o  193.124   58.201 30000.14  9881.39   0.0000   0.0000 30000.14  9881.39  ?   ?   193.124   58.201 0.000000 58.20142 
1 1 1  -76   20    5 f  229.205   65.621 48500.66 12834.35   0.0000   0.0000 48500.66 12834.35  ?   ?   229.205   65.621 0.000000 65.62150 
1 1 1  -76   20    6 o   89.868   41.384  3041.01  6975.10   0.0000   0.0000  3041.01  6975.10  ?   ?    89.868   41.384 0.000000 41.38448 
1 1 1  -76   20    7 o  142.038   57.804 24146.23 10470.79   0.0000   0.0000 24146.23 10470.79  ?   ?   142.038   57.804 0.000000 57.80440 
1 1 1  -76   20    8 o  112.415   37.347  8241.77  3982.46  7883.96  4306.59 10353.98 10463.43  107.513   38.677  100.307   47.608 7.205544 61.33803 
1 1 1  -76   20    9 o  119.385   11.392  6126.75  1090.92  2885.34  3656.26  6443.52  1142.98   76.239   32.772  122.302   11.651 -46.06357 34.78154 
1 1 1  -76   20   10 o  143.425   13.287  9070.07  1529.82  3053.68  4401.38  9896.79  1631.55   75.657   34.065  149.599   13.580 -73.94241 36.67223 
1 1 1  -76   20   11 f   90.649   7.7460  3463.06  564.666  3475.35  3376.14  3462.71  572.734   73.944   31.630   90.594   7.8640 -16.65006 32.59334 
1 1 1  -76   20   12 o   69.980   11.169  2181.19  613.299  3243.05  3372.72  2144.87  623.697   69.329   30.601   69.206   11.503 0.1225204 32.69174 
1 1 1  -76   20   13 o   28.293   10.328  304.344  308.616 -4764.0679  2931.35  361.152  310.341   40.551   20.354   29.768   10.414 10.78349 22.86333 
1 1 1  -76   20   14 o   37.706   13.868  627.802  558.010  7336.28  3159.99  411.881  566.919   83.552   32.472   34.110   13.601 49.44248 35.20527 
1 1 1  -76   20   15 o   41.673   13.827  873.613  545.957 -2649.7800  3370.09  968.574  553.266   42.612   21.447   43.621   13.879 -1.008556 25.54591 
1 1 1  -76   22    1 o   91.558   37.796  4213.01  4557.33   0.0000   0.0000  4213.01  4557.33  ?   ?    91.558   37.796 0.000000 37.79593 
1 1 1  -76   22    2 o   96.598   41.719  5102.24  5980.49   0.0000   0.0000  5102.24  5980.49  ?   ?    96.598   41.719 0.000000 41.71907 
1 1 1  -76   22    3 o  135.391   51.922 15963.82  7999.89   0.0000   0.0000 15963.82  7999.89  ?   ?   135.391   51.922 0.000000 51.92192 
1 1 1  -76   22    4 o   80.974   38.207  310.607  6555.00   0.0000   0.0000  310.607  6555.00  ?   ?    80.974   38.207 0.000000 38.20660 
1 1 1  -76   22    5 o   85.023   40.283  1744.48  7427.30   0.0000   0.0000  1744.48  7427.30  ?   ?    85.023   40.283 0.000000 40.28263 
1 1 1  -76   22    6 o   96.054   44.841  7385.23  8623.59   0.0000   0.0000  7385.23  8623.59  ?   ?    96.054   44.841 0.000000 44.84114 
1 1 1  -76   22    7 o   90.687   43.508  6528.87  9246.54   0.0000   0.0000  6528.87  9246.54  ?   ?    90.687   43.508 0.000000 43.50809 
1 1 1  -76   22    8 o  101.534   10.670  4428.44  866.477  2566.54  4471.02  4501.10  883.221   74.986   33.995  102.305   10.795 -27.31912 35.66812 
1 1 1  -76   22    9 o   46.542   11.160  966.479  416.269  2403.02  4166.07  951.992  418.363   71.388   32.538   46.164   11.261 25.22405 34.43146 
1 1 1  -76   22   10 o   37.498   11.759  617.921  398.425 -1853.3380  3019.32  661.716  401.940   50.159   24.263   38.610   11.761 11.54863 26.96327 
1 1 1  -76   22   11 o   30.311   9.9847  387.481  284.867 -6332.8291  4117.06  419.810  285.551   46.745   23.549   31.252   9.9740 15.49232 25.57425 
1 1 1  -76   22   12 o   57.264   13.785  1576.47  633.248  2393.33  4220.18  1557.65  640.500   61.447   29.457   56.794   13.983 4.653820 32.60717 
1 1 1  -76   22   13 o   20.337   9.4397 -254.7173  373.553  704.285  3770.85 -264.2217  375.400   53.022   25.971   20.292   9.4336 32.72978 27.63085 
1 1 1  -76   22   14 o   39.908   14.476  784.343  605.021  3126.09  4222.34  735.253  611.329   54.029   26.662   39.061   14.488 14.96816 30.34450 
1 1 1  -76   24    1 o   54.639   26.607 -4016.9490  3793.93   0.0000   0.0000 -4016.9490  3793.93  ?   ?    54.639   26.607 0.000000 26.60726 
1 1 1  -76   24    2 o   74.642   35.493 -449.8591  5868.84   0.0000   0.0000 -449.8591  5868.84  ?   ?    74.642   35.493 0.000000 35.49257 
1 1 1  -76   24    3 o   89.512   41.816  4750.86  7519.59   0.0000   0.0000  4750.86  7519.59  ?   ?    89.512   41.816 0.000000 41.81582 
1 1 1  -76   24    4 o   85.650   40.913  3611.54  7984.37   0.0000   0.0000  3611.54  7984.37  ?   ?    85.650   40.913 0.000000 40.91310 
1 1 1  -76   24    5 o   98.023   46.322 11745.05  9702.47   0.0000   0.0000 11745.05  9702.47  ?   ?    98.023   46.322 0.000000 46.32178 
1 1 1  -76   24    6 o   78.941   38.388  2488.21  7821.95   0.0000   0.0000  2488.21  7821.95  ?   ?    78.941   38.388 0.000000 38.38757 
1 1 1  -76   24    7 o   81.775   40.642  6416.29 10473.93   0.0000   0.0000  6416.29 10473.93  ?   ?    81.775   40.642 0.000000 40.64193 
1 1 1  -76   24    8 o   15.920   7.0709 -58.8809  182.843 -6765.8389  5505.70 -51.4758  182.944   54.931   27.615   16.075   7.1097 38.85524 28.51596 
1 1 1  -76   24    9 o   80.543   12.364  2927.69  782.739   0.0000   0.0000  2927.69  782.739  ?   ?    80.543   12.364 0.000000 12.36381 
1 1 1  -76   24   10 o   41.132   12.936  778.768  481.781 -9572.7822  5526.51  858.039  483.622   48.592   24.769   42.948   12.861 5.644138 27.90906 
1 1 1  -76   24   11 o   97.047   14.161  4507.11  1083.04  667.725  5234.43  4678.83  1107.00   57.264   28.504   98.858   14.198 -41.59460 31.84457 
1 1 1  -76   24   12 o   56.589   15.396  1663.78  726.242 -7265.9058  5133.67  1846.13  733.620   45.056   23.042   59.980   15.080 -14.92401 27.53770 
1 1 1  -76   26    1 o   75.318   36.193  1190.44  6455.83   0.0000   0.0000  1190.44  6455.83  ?   ?    75.318   36.193 0.000000 36.19288 
1 1 1  -76   26    2 f   84.289   40.143  5421.30  7568.26   0.0000   0.0000  5421.30  7568.26  ?   ?    84.289   40.143 0.000000 40.14328 
1 1 1  -76   26    3 o   85.516   41.488  7272.68  8995.62   0.0000   0.0000  7272.68  8995.62  ?   ?    85.516   41.488 0.000000 41.48834 
1 1 1  -76   26    4 o   64.046   32.314 -7345.7031  7914.68   0.0000   0.0000 -7345.7031  7914.68  ?   ?    64.046   32.314 0.000000 32.31371 
1 1 1  -76   26    5 o   62.493   31.752 -9355.6113  8547.48   0.0000   0.0000 -9355.6113  8547.48  ?   ?    62.493   31.752 0.000000 31.75240 
1 1 1  -76   26    6 o   77.506   39.127  9042.57 11698.08   0.0000   0.0000  9042.57 11698.08  ?   ?    77.506   39.127 0.000000 39.12690 
1 1 1  -76   26    7 o   67.998   34.454  1192.65  9599.40   0.0000   0.0000  1192.65  9599.40  ?   ?    67.998   34.454 0.000000 34.45449 
1 1 1  -76   26    8 o   70.018   35.958 12324.82 13967.59   0.0000   0.0000 12324.82 13967.59  ?   ?    70.018   35.958 0.000000 35.95773 
1 1 1  -76   26    9 o   51.933   26.895 -25125.2695 11148.38   0.0000   0.0000 -25125.2695 11148.38  ?   ?    51.933   26.895 0.000000 26.89535 
1 1 1  -76   26   10 o   58.827   30.574  7991.12 19306.45   0.0000   0.0000  7991.12 19306.45  ?   ?    58.827   30.574 0.000000 30.57378 
1 1 1  -76   28    1 o   73.223   36.130  3651.99  7746.41   0.0000   0.0000  3651.99  7746.41  ?   ?    73.223   36.130 0.000000 36.13040 
1 1 1  -76   28    2 o   79.699   39.367  9925.73  9280.20   0.0000   0.0000  9925.73  9280.20  ?   ?    79.699   39.367 0.000000 39.36681 
1 1 1  -76   28    3 o   74.401   36.894  6455.50  8443.20   0.0000   0.0000  6455.50  8443.20  ?   ?    74.401   36.894 0.000000 36.89358 
1 1 1  -76   28    4 o   74.353   37.695 11228.92 11593.32   0.0000   0.0000 11228.92 11593.32  ?   ?    74.353   37.695 0.000000 37.69477 
1 1 1  -76   28    5 o   63.923   32.516 -240.7393  9147.49   0.0000   0.0000 -240.7393  9147.49  ?   ?    63.923   32.516 0.000000 32.51556 
1 1 1  -76   28    6 o   60.595   31.199 -5121.4980 11822.41   0.0000   0.0000 -5121.4980 11822.41  ?   ?    60.595   31.199 0.000000 31.19926 
1 1 1  -76   28    7 o   59.907   30.952 -986.9034 13650.82   0.0000   0.0000 -986.9034 13650.82  ?   ?    59.907   30.952 0.000000 30.95199 
1 1 1  -75    1    1 o  122.972   17.349  6386.37  1684.15  6857.38  2295.24  5836.99  2478.85  125.726   23.343  114.783   27.042 10.94312 35.72322 
1 1 1  -75    1    2 o  190.613   18.507 15251.46  2828.23 15260.80  3937.82 15241.50  4064.64  187.510   26.611  186.941   27.609 0.5693359 38.34544 
1 1 1  -75    1    3 o   86.404   9.2770  3085.30  640.660  3069.61  2237.66  3086.70  668.651   85.415   27.977   86.352   9.7046 -0.9373245 29.61198 
1 1 1  -75    1    4 o  123.821   7.3832  6274.14  738.917  6401.72  1068.00  6157.00  1023.40  124.549   10.664  122.174   10.416 2.374901 14.90642 
1 1 1  -75    1    5 o   42.300   8.4894  756.928  281.442  879.401  431.474  666.230  371.306   45.411   11.646   39.724   11.089 5.686592 16.08069 
1 1 1  -75    1    6 o  244.149   13.237 24691.82  2614.26 24697.06  3736.01 24686.79  3659.44  241.554   19.207  241.712   18.793 -0.1580353 26.87189 
1 1 1  -75    1    7 o   64.967   9.1368  1762.65  468.660  1728.73  686.097  1792.32  641.700   63.409   13.724   64.794   12.651 -1.384335 18.66547 
1 1 1  -75    1    8 o  136.771   9.8075  7727.12  1081.92  7520.91  1569.33  7913.90  1493.62  133.504   14.722  137.367   13.569 -3.863220 20.02099 
1 1 1  -75    1    9 o   17.909   8.6721 -635.9355  388.287  559.785  718.174 -1129.8311  461.564   41.652   15.653   17.177   8.5362 24.47460 17.82919 
1 1 1  -75    1   10 o  144.465   10.505  8676.94  1223.78  9700.56  1782.35  7763.96  1683.28  151.149   14.709  134.670   15.688 16.47885 21.50499 
1 1 1  -75    1   11 o  107.883   10.424  4869.51  901.750  3906.38  1329.97  5689.03  1226.81   93.722   18.132  115.667   13.305 -21.94512 22.49006 
1 1 1  -75    1   12 o  113.409   11.242  5423.51  1021.58  5138.39  1462.18  5695.41  1427.90  107.722   17.303  114.259   15.815 -6.537514 23.44142 
1 1 1  -75    1   13 o  133.803   11.658  7590.77  1253.95  7626.27  1818.29  7558.57  1731.60  130.741   17.573  130.708   16.697 0.3289795E-01 24.24079 
1 1 1  -75    1   14 o  110.535   12.508  5268.90  1102.88  5349.46  1616.96  5198.83  1508.12  107.364   19.256  106.587   18.072 0.7778931 26.40755 
1 1 1  -75    1   15 o   64.571   16.560  1941.54  872.396  1734.06  1297.61  2112.66  1178.48   60.887   21.294   66.091   20.140 -5.204323 29.31022 
1 1 1  -75    1   16 o   44.377   17.028  745.941  860.663  1007.67  1232.33  496.720  1202.54   50.905   20.130   45.405   19.126 5.500843 27.76725 
1 1 1  -75    1   17 o   66.759   18.317  2248.83  1022.86  2406.25  1437.87  2087.57  1455.37   66.298   22.444   62.391   22.480 3.907070 31.76581 
1 1 1  -75    1   18 o   40.553   17.108  479.187  964.588 -486.1468  1344.74  1502.29  1384.39   37.870   17.689   53.751   21.310 -15.88035 27.69484 
1 1 1  -75    1   19 o   36.390   16.292  139.946  991.214 -904.1655  1406.07  1171.43  1397.54   35.126   16.882   48.070   20.451 -12.94365 26.51890 
1 1 1  -75    1   20 o   48.912   19.322  1565.96  1134.31  321.870  1564.70  2943.92  1646.74   40.235   18.885   58.795   23.263 -18.56031 29.96362 
1 1 1  -75    1   21 f   46.716   19.934  1897.67  1334.83  1611.41  2017.56  2120.51  1780.14   42.803   20.479   45.744   21.006 -2.941151 29.33688 
1 1 1  -75    3    1 o   94.326   9.1035  3667.53  688.573  3988.05  725.580  763.741  2183.95   98.383   9.1893   64.249   26.302 34.13445 27.86076 
1 1 1  -75    3    2 o   89.719   9.3203  3324.26  669.066  3119.36  700.082  5484.21  2273.00   86.742   10.131  111.412   25.656 -24.66984 27.58384 
1 1 1  -75    3    3 o  208.979   13.768 18071.43  2323.21 19315.90  2616.92 13442.25  5047.18  215.699   15.036  169.995   37.566 45.70465 40.46346 
1 1 1  -75    3    4 o  179.917   12.043 13360.80  1749.11 12708.13  1893.84 17147.98  4562.00  175.099   13.423  196.715   29.469 -21.61635 32.38159 
1 1 1  -75    3    5 o  114.627   10.283  5428.47  946.859  7367.06  3357.53  5260.97  986.917  126.325   32.535  112.704   10.922 13.62102 34.31964 
1 1 1  -75    3    6 o  119.655   8.7943  5889.69  848.424  5758.88  1326.50  5980.24  1103.70  117.075   14.248  120.034   11.464 -2.958420 18.28712 
1 1 1  -75    3    7 o  202.620   11.581 16980.37  1897.43 17783.86  2791.39 16290.25  2586.98  205.284   16.897  196.660   16.349 8.623795 23.51153 
1 1 1  -75    3    8 o  248.856   13.963 25869.24  2810.02 24762.13  4082.10 26866.34  3874.00  239.112   21.247  250.550   19.188 -11.43839 28.62906 
1 1 1  -75    3    9 f   87.145   9.3878  3159.26  653.785  3530.88  1056.88  2928.90  832.100   90.674   14.871   83.023   12.751 7.650291 19.58901 
1 1 1  -75    3   10 f  233.173   13.571 22857.27  2558.24 23590.60  3728.10 22204.67  3516.92  232.377   19.952  225.869   19.364 6.508270 27.80359 
1 1 1  -75    3   11 o  100.648   10.643  4250.90  856.556  4363.03  1346.76  4174.73  1109.99   99.487   17.300   98.481   14.299 1.006226 22.44457 
1 1 1  -75    3   12 o   49.583   13.262  1076.00  544.329  323.103  1015.98  1379.13  644.660   42.919   17.792   55.906   14.180 -12.98673 22.75135 
1 1 1  -75    3   13 o   87.632   12.915  3322.26  891.388  2847.25  1349.10  3690.30  1187.53   77.689   20.921   90.700   16.742 -13.01157 26.79465 
1 1 1  -75    3   14 o   19.519   9.6888 -1367.3820  588.223 -2385.4851  885.614 -563.6741  786.860   22.572   11.309   29.635   13.736 -7.063501 17.79278 
1 1 1  -75    3   15 o   87.499   13.992  3413.54  960.596  4995.51  1457.02  2197.26  1277.57  103.465   17.997   66.981   21.066 36.48347 27.70670 
1 1 1  -75    3   16 o   61.416   16.123  1786.24  814.221  3079.32  1138.18  430.897  1165.26   79.819   17.992   44.267   18.747 35.55230 25.98369 
1 1 1  -75    3   17 o   42.063   16.917  609.046  885.093  299.057  1379.34  826.026  1154.01   44.592   19.632   47.125   19.186 -2.532856 27.44977 
1 1 1  -75    3   18 o   33.295   14.776   3.6241  796.703 -960.1591  1215.49  729.569  1054.91   33.458   15.977   43.962   18.169 -10.50436 24.19438 
1 1 1  -75    3   19 o   56.379   20.318  1951.70  1188.96  630.196  1788.08  2999.09  1591.86   45.770   21.031   65.084   23.501 -19.31415 31.53759 
1 1 1  -75    3   20 o   29.301   14.275 -1009.1140  1095.71 -2651.9270  1680.84  204.905  1444.92   30.706   15.412   38.727   18.168 -8.020264 23.82445 
1 1 1  -75    5    1 o  133.692   11.253  7379.40  1210.18  7379.40  1210.18   0.0000   0.0000  133.692   11.253  ?   ?  0.000000 11.25280 
1 1 1  -75    5    2 o  352.326   23.044 52758.74  6556.07 52758.74  6556.07   0.0000   0.0000  352.326   23.044  ?   ?  0.000000 23.04407 
1 1 1  -75    5    3 o  105.267   11.906  4608.65  999.756  4608.65  999.756   0.0000   0.0000  105.267   11.906  ?   ?  0.000000 11.90599 
1 1 1  -75    5    4 o  147.040   12.366  8959.27  1462.67  8376.77  1556.26 13370.19  4282.48  141.821   13.684  171.638   31.903 -29.81703 34.71408 
1 1 1  -75    5    5 o  171.486   12.768 12194.41  1765.06 10316.85  1876.44 26615.63  5200.42  157.044   14.894  246.604   26.381 -89.56068 30.29472 
1 1 1  -75    5    6 o  205.751   16.048 17767.78  2659.89   0.0000   0.0000 17767.78  2659.89  ?   ?   205.751   16.048 0.000000 16.04837 
1 1 1  -75    5    7 o   71.178   8.7468  2106.48  494.878  4039.59  941.519  1368.54  581.716   98.178   12.065   56.388   12.975 41.79052 17.71730 
1 1 1  -75    5    8 o   78.173   9.0305  2541.40  562.653  1210.42  1065.51  3056.04  662.561   55.506   19.303   85.675   9.6950 -30.16839 21.60071 
1 1 1  -75    5    9 o   92.272   9.3788  3539.53  692.904  4160.92  1234.71  3253.87  837.156   98.123   16.053   87.750   12.069 10.37251 20.08344 
1 1 1  -75    5   10 o   71.001   11.158  2140.02  622.072  2220.45  1108.89  2103.09  751.454   70.435   18.967   69.658   13.774 0.7768478 23.44059 
1 1 1  -75    5   11 o  131.004   10.631  7177.47  1121.03  6534.30  1735.76  7637.72  1468.34  121.659   18.125  133.911   13.697 -12.25245 22.71816 
1 1 1  -75    5   12 o   78.836   11.651  2657.61  723.346  4308.25  1184.68  1676.43  913.370   99.287   15.177   61.097   17.510 38.18937 23.17191 
1 1 1  -75    5   13 o  116.766   11.182  5782.18  1047.18  5531.10  1760.19  5919.73  1302.82  108.922   20.658  116.778   14.020 -7.856094 24.96662 
1 1 1  -75    5   14 o   65.029   15.707  1928.67  820.028  1032.60  1316.02  2497.41  1048.45   53.326   20.891   73.223   17.806 -19.89675 27.45004 
1 1 1  -75    5   15 o   49.671   16.612  1097.18  787.561  372.231  1315.90  1501.79  983.070   46.206   19.756   56.777   18.541 -10.57059 27.09346 
1 1 1  -75    5   16 o  143.786   13.200  9187.89  1523.93  9168.54  2324.75  9202.46  2017.97  134.008   22.138  138.578   18.388 -4.570557 28.77909 
1 1 1  -75    5   17 o   61.279   18.278  1911.58  978.245  2926.23  1610.61  1318.47  1231.40   71.025   23.755   52.799   20.340 18.22565 31.27355 
1 1 1  -75    5   18 o   56.803   18.033  1716.48  934.368  705.409  1707.26  2148.82  1116.41   48.081   21.465   62.048   19.713 -13.96647 29.14336 
1 1 1  -75    5   19 o   68.814   20.510  2930.77  1232.12  1408.58  1972.99  3903.93  1577.56   50.126   22.667   75.283   23.365 -25.15691 32.55315 
1 1 1  -75    5   20 o   30.487   14.423 -355.5672  945.163 -3789.2991  1765.66  1023.55  1118.98   28.923   14.668   42.600   18.216 -13.67659 23.38765 
1 1 1  -75    7    1 f  104.764   31.633  4934.93  2916.91   0.0000   0.0000  4934.93  2916.91  ?   ?   104.764   31.633 0.000000 31.63278 
1 1 1  -75    7    2 o  119.897   34.291  6643.99  3506.49   0.0000   0.0000  6643.99  3506.49  ?   ?   119.897   34.291 0.000000 34.29119 
1 1 1  -75    7    3 o  237.700   14.876 23496.60  2856.77 17588.39  3300.83 41130.98  5702.62  203.404   20.255  310.158   22.804 -106.7548 30.50083 
1 1 1  -75    7    4 o  ?   ?  -842.1380  111.486 -840.6722  111.552 -2092.0120  3257.32  ?   ?    60.755   28.085 0.000000 28.08489 
1 1 1  -75    7    5 o   64.141   14.136  1770.23  716.344  1716.04  727.321  3524.89  4138.69   63.087   14.502   96.394   37.246 -33.30670 39.96938 
1 1 1  -75    7    6 o   81.064   15.532  2829.06  985.093  2393.09  1004.23 13939.91  5069.68   74.104   17.045  169.003   37.881 -94.89883 41.53967 
1 1 1  -75    7    7 o  172.309   14.125 12448.57  1958.81   0.0000   0.0000 12448.57  1958.81  ?   ?   172.309   14.125 0.000000 14.12476 
1 1 1  -75    7    8 o  120.208   9.3872  5978.30  908.973  5145.61  1550.39  6414.44  1122.05  108.659   18.217  124.045   11.263 -15.38640 21.41794 
1 1 1  -75    7    9 o  209.049   12.433 18265.36  2100.79 18064.89  3202.18 18416.83  2783.54  203.660   19.607  207.592   16.654 -3.932632 25.72499 
1 1 1  -75    7   10 o   71.941   10.632  2190.03  602.328  2741.41  1169.82  1991.13  702.622   78.125   18.692   67.821   13.234 10.30413 22.90261 
1 1 1  -75    7   11 o  102.620   10.110  4412.16  831.441  5730.85  1508.27  3836.50  996.530  114.303   16.748   94.526   13.356 19.77716 21.42126 
1 1 1  -75    7   12 o   49.693   12.897  1084.14  524.914  1258.35  1081.98  1030.52  600.290   55.103   19.432   48.576   14.275 6.526257 24.11186 
1 1 1  -75    7   13 o   69.698   14.941  2174.85  820.175  1395.62  1435.13  2552.80  999.478   58.705   22.114   74.840   16.853 -16.13469 27.80417 
1 1 1  -75    7   14 o   69.883   14.645  2202.23  804.393  348.294  1387.44  3140.91  987.251   47.375   20.271   83.568   15.105 -36.19316 25.28051 
1 1 1  -75    7   15 o   32.398   14.518 -205.0116  788.794 -532.9439  1225.42   26.995  1030.72   37.870   17.405   38.982   17.071 -1.111935 24.37893 
1 1 1  -75    7   16 o   65.506   16.990  2080.60  911.296  1051.64  1562.97  2610.56  1121.69   53.091   22.043   72.241   18.904 -19.14914 29.03879 
1 1 1  -75    7   17 o   70.846   17.765  2546.19  1020.04  2979.49  1747.09  2322.10  1256.42   69.957   24.690   65.125   20.936 4.832420 32.37183 
1 1 1  -75    7   18 o   40.316   10.406  746.940  342.949  1576.13  1686.54  711.174  350.267   53.570   22.613   39.274   10.695 14.29608 25.01427 
1 1 1  -75    7   19 o   49.704   11.075  1174.47  435.524  655.179  1873.18  1204.15  447.796   45.047   20.986   50.225   11.259 -5.178001 23.81510 
1 1 1  -75    7   20 o   20.563   9.2356 -64.0861  321.212 -1869.9600  1930.66 -12.6758  325.753   33.890   16.938   21.465   9.4907 12.42475 19.41598 
1 1 1  -75    9    1 o  267.829   32.282 32364.06  6878.84   0.0000   0.0000 32364.06  6878.84  ?   ?   267.829   32.282 0.000000 32.28201 
1 1 1  -75    9    2 o  260.965   32.747 30906.18  6786.18   0.0000   0.0000 30906.18  6786.18  ?   ?   260.965   32.747 0.000000 32.74730 
1 1 1  -75    9    3 o  154.279   36.586 11360.13  4513.59   0.0000   0.0000 11360.13  4513.59  ?   ?   154.279   36.586 0.000000 36.58575 
1 1 1  -75    9    4 f  166.402   38.125 13426.47  5040.71   0.0000   0.0000 13426.47  5040.71  ?   ?   166.402   38.125 0.000000 38.12527 
1 1 1  -75    9    5 o   69.267   14.647  2069.11  798.057  2162.02  816.219   50.729  3804.23   70.833   14.674   74.612   32.731 -3.779068 35.86983 
1 1 1  -75    9    6 f   29.405   11.468  221.477  395.225  273.701  396.464 -8094.2480  5002.89   30.494   11.591   60.690   29.765 -30.19644 31.94241 
1 1 1  -75    9    7 f   65.548   8.9116  1795.60  462.009 -361.2896  843.781  2719.13  552.130   33.270   14.954   80.980   8.5250 -47.71083 17.21304 
1 1 1  -75    9    8 o  203.593   16.143 17632.81  2646.72   0.0000   0.0000 17632.81  2646.72  ?   ?   203.593   16.143 0.000000 16.14291 
1 1 1  -75    9    9 o  101.602   8.9656  4284.09  732.055  5276.51  1382.12  3897.12  863.059  110.527   15.855   96.258   11.255 14.26876 19.44346 
1 1 1  -75    9   10 f  215.030   13.424 19544.74  2332.03 17009.82  3576.08 21420.34  3076.07  193.142   23.272  222.413   17.166 -29.27121 28.91788 
1 1 1  -75    9   11 o  103.167   10.067  4464.96  832.546  3252.53  1578.42  4932.29  979.948   82.992   22.747  108.027   11.341 -25.03497 25.41724 
1 1 1  -75    9   12 f  190.171   12.596 15389.56  1934.03 14737.90  3046.43 15829.52  2503.16  178.647   21.430  189.921   16.393 -11.27391 26.98054 
1 1 1  -75    9   13 o   41.968   14.115  731.078  568.661   53.910  1181.72  935.145  648.710   42.324   18.411   46.544   15.052 -4.219940 23.78128 
1 1 1  -75    9   14 o   95.228   13.267  3991.60  997.956  1331.15  1700.52  5389.16  1232.51   58.571   23.486  110.360   14.075 -51.78926 27.38088 
1 1 1  -75    9   15 o   45.842   16.296  897.063  762.406 -264.9877  1616.79  1229.35  864.566   44.769   20.353   51.762   17.404 -6.992855 26.77954 
1 1 1  -75    9   16 o   95.461   8.6065  3884.41  659.930  4783.48  2058.61  3781.43  696.698   89.320   26.486   93.829   9.2657 -4.508568 28.05964 
1 1 1  -75    9   17 o   46.605   10.578  985.508  391.120 -2123.0249  1687.31  1162.02  402.071   35.301   17.308   50.920   10.081 -15.61857 20.02985 
1 1 1  -75    9   18 o   39.365   10.265  715.660  331.504 -686.3439  1588.82  779.473  338.964   38.403   18.318   41.108   10.203 -2.704865 20.96805 
1 1 1  -75    9   19 o   22.420   9.7757   13.568  334.795  100.831  1681.05   9.9635  341.639   40.529   19.191   22.560   9.8549 17.96879 21.57355 
1 1 1  -75    9   20 o  100.646   12.551  5187.19  1003.40  2577.24  2445.37  5715.58  1100.29   47.170   22.563  104.445   13.274 -57.27509 26.17760 
1 1 1  -75   11    1 f  313.572   34.881 45504.03  8730.44   0.0000   0.0000 45504.03  8730.44  ?   ?   313.572   34.881 0.000000 34.88053 
1 1 1  -75   11    2 o   78.410   31.431  1787.36  3044.25   0.0000   0.0000  1787.36  3044.25  ?   ?    78.410   31.431 0.000000 31.43052 
1 1 1  -75   11    3 o  125.715   40.595  7816.32  4719.73   0.0000   0.0000  7816.32  4719.73  ?   ?   125.715   40.595 0.000000 40.59491 
1 1 1  -75   11    4 o  251.192   38.569 30647.09  7615.00   0.0000   0.0000 30647.09  7615.00  ?   ?   251.192   38.569 0.000000 38.56855 
1 1 1  -75   11    5 o  224.560   40.967 25368.63  7194.46   0.0000   0.0000 25368.63  7194.46  ?   ?   224.560   40.967 0.000000 40.96686 
1 1 1  -75   11    6 o  148.401   17.359  9439.98  2052.23  8326.52  2190.30 17445.74  5873.11  138.023   20.137  184.492   40.331 -46.46925 45.07877 
1 1 1  -75   11    7 o   51.533   17.609  1061.81  885.186  1061.81  885.186   0.0000   0.0000   51.533   17.609  ?   ?  0.000000 17.60915 
1 1 1  -75   11    8 o  119.287   10.138  5922.63  972.614  2896.30  1786.79  7196.91  1159.44   79.627   24.892  131.311   10.975 -51.68427 27.20378 
1 1 1  -75   11    9 o   97.445   9.3703  3957.10  732.263  2317.91  1458.48  4509.56  846.718   71.637   22.504  103.854   10.172 -32.21722 24.69637 
1 1 1  -75   11   10 o  105.296   9.2123  4621.29  779.697  6509.94  1562.83  3995.42  899.658  122.178   16.149   97.083   11.645 25.09503 19.91027 
1 1 1  -75   11   11 o  103.615   10.580  4528.53  877.611  3319.45  1610.50  5039.21  1046.67   83.296   23.037  108.771   12.054 -25.47411 26.00027 
1 1 1  -75   11   12 o  213.677   17.361 20327.97  2986.11  4794.13  4573.57 31870.07  3942.38   91.601   37.842  266.456   18.334 -174.8549 42.04961 
1 1 1  -75   11   13 o  103.360   11.118  4573.03  918.396  3865.70  1761.21  4837.20  1076.32   87.248   24.075  105.462   12.834 -18.21437 27.28217 
1 1 1  -75   11   14 o   74.200   8.5380  2331.67  505.021  1302.87  1450.79  2473.52  538.714   56.178   21.955   76.333   8.8563 -20.15544 23.67407 
1 1 1  -75   11   15 o   60.666   9.4341  1593.77  449.608  863.500  1462.24  1670.02  472.498   50.948   21.251   62.021   9.7004 -11.07270 23.36016 
1 1 1  -75   11   16 o  158.140   9.9286 10822.83  1268.41  8320.32  2896.64 11416.52  1410.86  109.973   31.068  161.505   10.821 -51.53267 32.89870 
1 1 1  -75   11   17 o   88.047   9.4216  3401.24  663.108  4286.54  1940.87  3284.25  705.565   79.135   26.062   85.880   10.325 -6.744560 28.03274 
1 1 1  -75   11   18 o   20.286   8.9228 -30.7267  284.389 -1606.0000  1933.48   4.1069  287.516   37.437   18.389   20.991   9.1063 16.44599 20.52065 
1 1 1  -75   11   19 o   48.290   12.185  1175.65  477.750 -2568.6431  1979.59  1407.22  492.302   33.365   16.744   53.406   11.678 -20.04056 20.41438 
1 1 1  -75   13    1 o  146.977   35.288 10424.54  4158.07   0.0000   0.0000 10424.54  4158.07  ?   ?   146.977   35.288 0.000000 35.28808 
1 1 1  -75   13    2 o  243.787   37.479 28698.29  7181.25   0.0000   0.0000 28698.29  7181.25  ?   ?   243.787   37.479 0.000000 37.47871 
1 1 1  -75   13    3 o  257.800   38.757 32608.93  7861.85   0.0000   0.0000 32608.93  7861.85  ?   ?   257.800   38.757 0.000000 38.75738 
1 1 1  -75   13    4 o  278.897   41.529 39432.97  9117.70   0.0000   0.0000 39432.97  9117.70  ?   ?   278.897   41.529 0.000000 41.52950 
1 1 1  -75   13    5 o  123.938   44.804  8228.11  5788.11   0.0000   0.0000  8228.11  5788.11  ?   ?   123.938   44.804 0.000000 44.80387 
1 1 1  -75   13    6 o   86.256   38.146  985.034  5265.31   0.0000   0.0000  985.034  5265.31  ?   ?    86.256   38.146 0.000000 38.14560 
1 1 1  -75   13    7 o  163.166   20.321 11742.07  2633.88  9290.15  2825.19 28029.69  7281.53  141.761   25.481  230.349   40.405 -88.58820 47.76845 
1 1 1  -75   13    8 o   74.145   20.755  2500.20  1298.92  2500.20  1298.92   0.0000   0.0000   74.145   20.755  ?   ?  0.000000 20.75486 
1 1 1  -75   13    9 o  100.598   10.814  4260.21  869.432   0.0000   0.0000  4260.21  869.432  ?   ?   100.598   10.814 0.000000 10.81387 
1 1 1  -75   13   10 o   86.974   9.7828  3181.90  678.875  3072.23  1642.43  3204.49  745.543   80.224   23.623   86.966   10.790 -6.742210 25.97031 
1 1 1  -75   13   11 o  116.977   11.113  5800.13  1042.87  2300.36  2077.56  6979.03  1205.79   71.276   26.655  128.110   11.722 -56.83424 29.11840 
1 1 1  -75   13   12 o   74.768   11.356  2414.04  667.746  488.303  1634.22  2799.99  731.606   51.647   22.047   80.566   11.511 -28.91975 24.87127 
1 1 1  -75   13   13 o  102.058   7.7922  4353.82  640.843  3624.67  1987.44  4438.42  677.004   82.061   26.326  102.906   8.1696 -20.84485 27.56483 
1 1 1  -75   13   14 o   23.413   9.6659   84.640  298.096 -1001.4160  1594.05  123.997  303.449   40.377   18.987   24.388   9.8711 15.98940 21.39929 
1 1 1  -75   13   15 o   55.195   10.711  1355.51  462.727 -416.3848  1901.74  1467.02  477.065   45.907   21.305   57.521   10.605 -11.61420 23.79851 
1 1 1  -75   13   16 o   32.186   11.221  429.988  360.147 -2253.0940  1929.47  526.842  366.590   37.692   18.485   34.654   11.322 3.037170 21.67741 
1 1 1  -75   13   17 o   52.544   11.753  1300.30  488.886  379.138  1986.43  1359.69  504.400   46.588   21.673   53.681   11.886 -7.093002 24.71788 
1 1 1  -75   13   18 o   44.453   12.678  989.221  480.009  1592.60  2105.70  956.149  492.989   49.484   22.769   43.563   12.971 5.921162 26.20492 
1 1 1  -75   13   19 o   31.441   12.875  391.481  523.568  1465.42  2610.11  346.457  534.431   44.480   21.748   30.885   12.862 13.59475 25.26701 
1 1 1  -75   15    1 o  145.257   37.748 10615.49  4492.91   0.0000   0.0000 10615.49  4492.91  ?   ?   145.257   37.748 0.000000 37.74832 
1 1 1  -75   15    2 o  167.118   40.149 14361.47  5379.87   0.0000   0.0000 14361.47  5379.87  ?   ?   167.118   40.149 0.000000 40.14854 
1 1 1  -75   15    3 o  240.924   41.490 29913.56  7823.48   0.0000   0.0000 29913.56  7823.48  ?   ?   240.924   41.490 0.000000 41.48986 
1 1 1  -75   15    4 o  344.986   47.384 65621.99 12922.49   0.0000   0.0000 65621.99 12922.49  ?   ?   344.986   47.384 0.000000 47.38370 
1 1 1  -75   15    5 o   66.089   31.715 -4680.5732  4919.99   0.0000   0.0000 -4680.5732  4919.99  ?   ?    66.089   31.715 0.000000 31.71473 
1 1 1  -75   15    6 f  109.998   44.365  6335.30  6106.02   0.0000   0.0000  6335.30  6106.02  ?   ?   109.998   44.365 0.000000 44.36457 
1 1 1  -75   15    7 o  ?   ?  -1833.2050  354.293 -1825.1320  354.881 -4264.2842  6158.03  ?   ?    74.020   35.510 0.000000 35.51017 
1 1 1  -75   15    8 o   71.437   22.770  2331.25  1488.53  2331.25  1488.53   0.0000   0.0000   71.437   22.770  ?   ?  0.000000 22.76952 
1 1 1  -75   15   10 o  105.003   10.034  4642.83  845.044  4995.98  2099.02  4574.52  923.161  100.074   25.698  103.800   11.127 -3.725647 28.00374 
1 1 1  -75   15   11 o  167.774   9.4216 11794.09  1278.28  7602.05  3286.60 12541.26  1387.53  114.497   33.332  172.724   9.9354 -58.22680 34.78105 
1 1 1  -75   15   12 o  123.009   8.0687  6320.50  801.429  5222.74  2470.71  6449.59  847.240   96.335   29.119  124.092   8.4591 -27.75697 30.32248 
1 1 1  -75   15   13 o   96.104   7.7817  3874.81  602.014  5433.57  2267.59  3756.62  624.422   98.003   27.419   94.440   8.2251 3.562965 28.62615 
1 1 1  -75   15   14 o  127.925   8.5792  6935.43  885.964  7515.52  2802.65  6871.02  933.852  108.413   30.536  126.984   9.1178 -18.57101 31.86832 
1 1 1  -75   15   15 o   43.543   11.478  866.727  411.553  1370.59  2253.43  849.340  418.594   56.793   25.043   43.067   11.677 13.72631 27.63193 
1 1 1  -75   15   16 o   34.404   10.714  532.602  331.381 -5117.0752  2384.40  643.877  334.629   34.811   17.584   37.508   10.547 -2.697170 20.50463 
1 1 1  -75   15   17 o   63.470   10.671  1864.74  530.401 -3899.7061  2796.20  2079.89  540.209   38.357   19.334   67.451   10.181 -29.09398 21.85049 
1 1 1  -75   15   18 o   70.836   13.619  2588.60  754.848  122.469  2772.30  2786.07  784.488   43.269   21.399   73.520   13.644 -30.25104 25.37880 
1 1 1  -75   17    1 o   80.131   33.404  1760.08  3610.09   0.0000   0.0000  1760.08  3610.09  ?   ?    80.131   33.404 0.000000 33.40415 
1 1 1  -75   17    2 o  245.226   42.137 31789.27  8087.76   0.0000   0.0000 31789.27  8087.76  ?   ?   245.226   42.137 0.000000 42.13688 
1 1 1  -75   17    3 o  213.208   44.757 25166.37  7501.43   0.0000   0.0000 25166.37  7501.43  ?   ?   213.208   44.757 0.000000 44.75718 
1 1 1  -75   17    4 o   90.178   39.178  2250.50  5336.88   0.0000   0.0000  2250.50  5336.88  ?   ?    90.178   39.178 0.000000 39.17762 
1 1 1  -75   17    5 o  209.555   48.225 26357.68  8035.20   0.0000   0.0000 26357.68  8035.20  ?   ?   209.555   48.225 0.000000 48.22473 
1 1 1  -75   17    6 o   73.057   34.614 -2760.6860  5484.11   0.0000   0.0000 -2760.6860  5484.11  ?   ?    73.057   34.614 0.000000 34.61354 
1 1 1  -75   17    7 o   49.447   15.997  1036.44  732.642  1092.92  736.611 -4161.5811  7066.59   50.497   16.009   77.347   37.343 -26.84984 40.63001 
1 1 1  -75   17    8 o   59.508   24.717  920.567  1966.21   52.082  2021.36 16187.55  8474.98   54.017   23.774  137.426   53.243 -83.40877 58.30921 
1 1 1  -75   17   10 o   66.275   10.024  1878.91  522.584 -271.7473  1984.38  2039.17  541.705   50.623   22.826   69.124   9.9373 -18.50063 24.89532 
1 1 1  -75   17   11 o  117.289   7.8877  5740.18  746.818  4131.95  2671.84  5876.48  777.820   85.068   30.479  118.580   8.1275 -33.51232 31.54360 
1 1 1  -75   17   12 o   54.937   12.388  1353.42  539.392 -371.0458  2221.29  1461.48  556.034   50.917   23.413   57.147   12.344 -6.230347 26.46757 
1 1 1  -75   17   13 o   18.070   8.2088 -141.1480  262.405 -2138.6270  1963.57 -104.8268  264.780   39.930   19.375   18.731   8.4010 21.19876 21.11754 
1 1 1  -75   17   14 o   39.066   10.939  687.571  360.758 -2390.5410  2473.42  754.477  364.657   43.270   21.160   40.874   10.818 2.396294 23.76517 
1 1 1  -75   17   15 o   17.095   8.0430 -276.0594  286.698 -100.4843  2655.01 -278.1309  288.384   49.849   23.751   17.138   8.0641 32.71154 25.08254 
1 1 1  -75   17   16 o   34.759   13.184  502.646  512.220  4874.91  2990.36  370.484  519.904   67.309   29.284   32.556   13.011 34.75247 32.04438 
1 1 1  -75   17   17 o   35.255   13.199  574.218  509.724 -1477.5370  2847.60  642.136  518.092   41.259   20.614   36.584   13.377 4.675781 24.57391 
1 1 1  -75   19    1 o  175.444   43.610 17398.09  6185.63   0.0000   0.0000 17398.09  6185.63  ?   ?   175.444   43.610 0.000000 43.61015 
1 1 1  -75   19    2 o  101.546   40.720  5029.86  5111.61   0.0000   0.0000  5029.86  5111.61  ?   ?   101.546   40.720 0.000000 40.71954 
1 1 1  -75   19    3 o   87.295   38.035  2147.72  5060.01   0.0000   0.0000  2147.72  5060.01  ?   ?    87.295   38.035 0.000000 38.03496 
1 1 1  -75   19    4 f  145.895   51.046 14943.91  7456.77   0.0000   0.0000 14943.91  7456.77  ?   ?   145.895   51.046 0.000000 51.04567 
1 1 1  -75   19    5 o   76.309   35.149 -410.8390  5035.96   0.0000   0.0000 -410.8390  5035.96  ?   ?    76.309   35.149 0.000000 35.14937 
1 1 1  -75   19    6 o   84.514   39.307  475.486  6529.18   0.0000   0.0000  475.486  6529.18  ?   ?    84.514   39.307 0.000000 39.30739 
1 1 1  -75   19    7 o  106.497   47.616  8144.97  8436.15   0.0000   0.0000  8144.97  8436.15  ?   ?   106.497   47.616 0.000000 47.61634 
1 1 1  -75   19    8 o   46.286   20.938 -438.6375  1685.22 -589.7457  1718.64  3333.28  8586.62   45.839   20.895   91.612   43.378 -45.77270 48.14798 
1 1 1  -75   19    9 o   81.723   9.9771  2839.76  648.297  725.803  2783.94  2960.97  666.624   63.012   27.808   83.449   10.040 -20.43622 29.56512 
1 1 1  -75   19   10 o  118.814   11.596  6076.30  1104.45  3473.73  3424.32  6378.46  1166.80   79.398   32.768  121.528   11.980 -42.12985 34.88961 
1 1 1  -75   19   11 o  138.188   8.9561  8060.17  999.495  1633.67  3683.51  8570.94  1038.45   68.487   30.970  142.474   9.0232 -73.98715 32.25746 
1 1 1  -75   19   12 o   83.289   11.168  3042.38  736.228 -2868.0701  2985.26  3425.14  759.694   47.596   23.269   88.657   10.775 -41.06117 25.64278 
1 1 1  -75   19   13 o   81.279   8.0461  2814.96  524.038  661.807  2799.60  2893.14  533.467   56.222   26.006   82.395   8.0778 -26.17246 27.23194 
1 1 1  -75   19   14 o   90.485   8.3812  3528.32  608.784  9328.30  3127.67  3299.92  620.654  107.432   32.826   87.172   8.8933 20.26049 34.00972 
1 1 1  -75   19   15 o   47.177   13.949  1107.93  571.656 -1706.5580  3075.51  1208.65  581.795   45.162   22.372   49.245   13.928 -4.083145 26.35287 
1 1 1  -75   19   16 o  103.306   14.032  5383.78  1146.58  7554.81  3875.69  5175.54  1200.31   65.277   30.335   99.466   15.356 -34.18903 34.00063 
1 1 1  -75   21    1 o  124.543   41.824  9298.03  4992.80   0.0000   0.0000  9298.03  4992.80  ?   ?   124.543   41.824 0.000000 41.82443 
1 1 1  -75   21    2 o  142.454   48.680 14021.29  6764.84   0.0000   0.0000 14021.29  6764.84  ?   ?   142.454   48.680 0.000000 48.67989 
1 1 1  -75   21    3 o  151.402   51.625 17120.59  7607.88   0.0000   0.0000 17120.59  7607.88  ?   ?   151.402   51.625 0.000000 51.62468 
1 1 1  -75   21    4 o   92.616   41.337  3566.62  6327.77   0.0000   0.0000  3566.62  6327.77  ?   ?    92.616   41.337 0.000000 41.33673 
1 1 1  -75   21    5 o  106.107   44.426  7612.23  6424.77   0.0000   0.0000  7612.23  6424.77  ?   ?   106.107   44.426 0.000000 44.42567 
1 1 1  -75   21    6 o   87.872   40.937  2505.28  7129.18   0.0000   0.0000  2505.28  7129.18  ?   ?    87.872   40.937 0.000000 40.93743 
1 1 1  -75   21    7 o  158.910   62.816 34336.85 11996.39   0.0000   0.0000 34336.85 11996.39  ?   ?   158.910   62.816 0.000000 62.81642 
1 1 1  -75   21    8 o   64.818   10.008  1803.79  509.761 -4828.3872  3265.63  1969.44  516.087   47.638   23.497   67.915   9.6284 -20.27684 25.39343 
1 1 1  -75   21    9 o   68.484   10.391  2026.34  559.677  736.419  3082.08  2070.32  569.140   63.115   28.454   69.214   10.453 -6.099461 30.31311 
1 1 1  -75   21   10 o  104.063   11.922  4736.42  989.181  3310.20  4020.51  4828.32  1020.55   75.462   33.354  104.897   12.211 -29.43567 35.51917 
1 1 1  -75   21   11 o  107.929   8.6839  4951.25  754.571 -3781.8779  3995.88  5274.18  768.396   52.046   25.731  111.486   8.5537 -59.43959 27.11563 
1 1 1  -75   21   12 o   59.789   8.7174  1549.19  410.754 -1065.4290  3276.88  1590.93  414.020   52.405   25.332   60.628   8.6560 -8.223461 26.76981 
1 1 1  -75   21   13 f   47.878   14.462  1114.34  609.588 -1090.5250  3804.50  1172.44  617.567   52.144   25.650   49.030   14.499 3.113579 29.46433 
1 1 1  -75   21   14 o   21.859   10.377 -480.3583  497.722  3254.38  3424.46 -560.9562  503.064   59.552   27.947   21.357   10.220 38.19548 29.75745 
1 1 1  -75   21   15 o   84.695   15.196  3738.58  1006.60  7208.75  4176.40  3524.56  1037.17   62.663   29.837   80.721   16.384 -18.05787 34.03986 
1 1 1  -75   23    1 o   77.149   34.186  1500.85  4249.38   0.0000   0.0000  1500.85  4249.38  ?   ?    77.149   34.186 0.000000 34.18587 
1 1 1  -75   23    2 o   72.279   34.197 -1455.0260  5316.40   0.0000   0.0000 -1455.0260  5316.40  ?   ?    72.279   34.197 0.000000 34.19689 
1 1 1  -75   23    3 o  122.900   50.130 13476.88  7897.52   0.0000   0.0000 13476.88  7897.52  ?   ?   122.900   50.130 0.000000 50.12975 
1 1 1  -75   23    4 o  102.480   45.771  8208.70  7772.32   0.0000   0.0000  8208.70  7772.32  ?   ?   102.480   45.771 0.000000 45.77080 
1 1 1  -75   23    5 o   65.199   32.378 -7264.2910  6596.75   0.0000   0.0000 -7264.2910  6596.75  ?   ?    65.199   32.378 0.000000 32.37824 
1 1 1  -75   23    6 o   82.912   40.128  1643.95  8286.89   0.0000   0.0000  1643.95  8286.89  ?   ?    82.912   40.128 0.000000 40.12807 
1 1 1  -75   23    7 o  105.117   49.403 16994.16 10767.63   0.0000   0.0000 16994.16 10767.63  ?   ?   105.117   49.403 0.000000 49.40288 
1 1 1  -75   23    8 o   62.481   10.847  1708.68  530.347  6607.85  4200.76  1629.33  534.625   92.919   37.032   60.828   11.238 32.09089 38.69947 
1 1 1  -75   23    9 o   38.036   11.863  633.383  406.096   0.0000   0.0000  633.383  406.096  ?   ?    38.036   11.863 0.000000 11.86292 
1 1 1  -75   23   10 o   49.313   12.805  1121.07  517.262 -3835.4360  4044.77  1203.48  521.545   51.406   25.499   51.158   12.631 0.2485580 28.45573 
1 1 1  -75   23   11 o   25.807   11.283 -20.7241  448.678  913.279  3603.81 -35.4295  452.197   58.586   27.845   25.702   11.280 32.88477 30.04269 
1 1 1  -75   23   12 f   48.115   15.138  1145.90  659.646  1972.60  4612.44  1128.63  666.497   59.402   29.016   47.762   15.237 11.64014 32.77396 
1 1 1  -75   23   13 o   30.458   13.071  157.356  579.875 -3169.5969  4285.71  219.400  585.257   46.806   23.635   31.366   13.285 15.43956 27.11258 
1 1 1  -75   23   14 o   31.940   13.801  228.795  655.082 -3161.8679  4574.21  299.793  661.905   44.531   22.684   32.889   14.035 11.64183 26.67514 
1 1 1  -75   25    1 o   93.646   41.807  6143.63  6476.98   0.0000   0.0000  6143.63  6476.98  ?   ?    93.646   41.807 0.000000 41.80704 
1 1 1  -75   25    2 o   75.026   34.951  1009.65  5195.11   0.0000   0.0000  1009.65  5195.11  ?   ?    75.026   34.951 0.000000 34.95053 
1 1 1  -75   25    3 o   82.198   38.418  2973.08  6359.46   0.0000   0.0000  2973.08  6359.46  ?   ?    82.198   38.418 0.000000 38.41793 
1 1 1  -75   25    4 o   88.169   41.146  5773.94  7251.57   0.0000   0.0000  5773.94  7251.57  ?   ?    88.169   41.146 0.000000 41.14645 
1 1 1  -75   25    5 o   58.157   29.495 -12846.5400  7141.44   0.0000   0.0000 -12846.5400  7141.44  ?   ?    58.157   29.495 0.000000 29.49488 
1 1 1  -75   25    6 o   82.983   41.063  6350.84 10260.30   0.0000   0.0000  6350.84 10260.30  ?   ?    82.983   41.063 0.000000 41.06321 
1 1 1  -75   25    7 o   64.205   10.359  1802.65  521.655   0.0000   0.0000  1802.65  521.655  ?   ?    64.205   10.359 0.000000 10.35894 
1 1 1  -75   25    8 o   23.879   9.8366   98.683  307.857  148.251  6006.29   98.552  308.262   65.503   32.223   23.888   9.8421 41.61497 33.69271 
1 1 1  -75   25    9 o   36.688   12.915  568.908  477.731   0.0000   0.0000  568.908  477.731  ?   ?    36.688   12.915 0.000000 12.91506 
1 1 1  -75   25   10 o   72.363   15.088  2551.11  857.823 -1989.6281  6246.17  2638.40  866.029   57.171   28.828   73.712   14.980 -16.54013 32.48761 
1 1 1  -75   25   11 o   91.748   15.446  4188.06  1109.80  472.372  6855.06  4288.07  1124.63   56.846   28.837   92.835   15.464 -35.98870 32.72178 
1 1 1  -75   25   12 o   78.174   16.549  3250.80  1017.68  7340.91  5199.31  3087.86  1037.76   62.313   30.516   75.160   17.355 -12.84702 35.10616 
1 1 1  -75   27    1 o   73.448   35.662  959.636  6682.53   0.0000   0.0000  959.636  6682.53  ?   ?    73.448   35.662 0.000000 35.66217 
1 1 1  -75   27    2 o   67.233   33.308 -2612.6909  6823.52   0.0000   0.0000 -2612.6909  6823.52  ?   ?    67.233   33.308 0.000000 33.30844 
1 1 1  -75   27    3 o   61.921   31.275 -8071.9072  7530.91   0.0000   0.0000 -8071.9072  7530.91  ?   ?    61.921   31.275 0.000000 31.27516 
1 1 1  -75   27    4 o   61.628   30.918 -5203.1680  6722.05   0.0000   0.0000 -5203.1680  6722.05  ?   ?    61.628   30.918 0.000000 30.91780 
1 1 1  -75   27    5 o   84.325   42.171 16950.43 12047.69   0.0000   0.0000 16950.43 12047.69  ?   ?    84.325   42.171 0.000000 42.17071 
1 1 1  -75   27    6 o   59.097   30.077 -7902.1069  7909.37   0.0000   0.0000 -7902.1069  7909.37  ?   ?    59.097   30.077 0.000000 30.07750 
1 1 1  -75   29    1 o   65.171   32.696 -668.9706  7519.31   0.0000   0.0000 -668.9706  7519.31  ?   ?    65.171   32.696 0.000000 32.69569 
1 1 1  -75   29    2 o   72.662   35.904  5916.47  7742.74   0.0000   0.0000  5916.47  7742.74  ?   ?    72.662   35.904 0.000000 35.90381 
1 1 1  -75   29    3 o   53.291   27.329 -13774.0098  7743.61   0.0000   0.0000 -13774.0098  7743.61  ?   ?    53.291   27.329 0.000000 27.32886 
1 1 1  -74    0    1 o  111.592   29.539  6127.85  2312.45   0.0000   0.0000  6127.85  2312.45  111.592   29.539  111.592   29.539 -0.000000 0.000000 
1 1 1  -74    0    2 o  353.377   33.064 53967.07  9296.20 53967.07  9296.20   0.0000   0.0000  353.377   33.064  353.377   33.064 0.000000 0.000000 
1 1 1  -74    0    3 o   57.639   10.123  1471.45  430.082   0.0000   0.0000  1471.45  430.082   57.639   10.123   57.639   10.123 -0.000000 0.000000 
1 1 1  -74    0    4 o  228.678   14.727 21662.82  2708.49 21662.82  2708.49   0.0000   0.0000  228.678   14.727  228.678   14.727 0.000000 0.000000 
1 1 1  -74    0    5 o  195.560   12.137 15793.30  1910.28 15793.30  1910.28   0.0000   0.0000  195.560   12.137  195.560   12.137 0.000000 0.000000 
1 1 1  -74    0    6 o  135.255   13.210  7689.54  1418.95   0.0000   0.0000  7689.54  1418.95  135.255   13.210  135.255   13.210 -0.000000 0.000000 
1 1 1  -74    0    7 o   20.526   12.830  100.139  438.782  100.139  438.782   0.0000   0.0000   20.526   12.830   20.526   12.830 0.000000 0.000000 
1 1 1  -74    0    8 o  270.521   21.240 30912.97  4599.27   0.0000   0.0000 30912.97  4599.27  270.521   21.240  270.521   21.240 -0.000000 0.000000 
1 1 1  -74    0    9 o  311.489   24.103 41340.18  6012.20 41340.18  6012.20   0.0000   0.0000  311.489   24.103  311.489   24.103 0.000000 0.000000 
1 1 1  -74    0   10 o  130.026   15.382  7241.08  1564.18   0.0000   0.0000  7241.08  1564.18  130.026   15.382  130.026   15.382 -0.000000 0.000000 
1 1 1  -74    0   11 o  165.390   16.631 11640.54  2181.59 11640.54  2181.59   0.0000   0.0000  165.390   16.631  165.390   16.631 0.000000 0.000000 
1 1 1  -74    0   12 o   39.283   20.680  940.946  876.152  940.946  876.152   0.0000   0.0000   39.283   20.680   39.283   20.680 0.000000 0.000000 
1 1 1  -74    0   13 o   27.461   17.488  109.782  858.667   0.0000   0.0000  109.782  858.667   27.461   17.488   27.461   17.488 -0.000000 0.000000 
1 1 1  -74    0   14 o  177.052   18.490 13541.26  2591.81 13541.26  2591.81   0.0000   0.0000  177.052   18.490  177.052   18.490 0.000000 0.000000 
1 1 1  -74    0   15 o   17.643   12.730 -1664.5690  927.342 -1664.5690  927.342   0.0000   0.0000   17.643   12.730   17.643   12.730 0.000000 0.000000 
1 1 1  -74    0   16 o   35.114   20.691  643.455  1005.79  643.455  1005.79   0.0000   0.0000   35.114   20.691   35.114   20.691 0.000000 0.000000 
1 1 1  -74    0   17 o   48.865   25.844  1570.98  1373.08   0.0000   0.0000  1570.98  1373.08   48.865   25.844   48.865   25.844 -0.000000 0.000000 
1 1 1  -74    0   18 o   29.229   19.471 -229.8337  1249.78 -229.8337  1249.78   0.0000   0.0000   29.229   19.471   29.229   19.471 0.000000 0.000000 
1 1 1  -74    0   19 o   23.844   16.410 -625.1946  1044.97   0.0000   0.0000 -625.1946  1044.97   23.844   16.410   23.844   16.410 -0.000000 0.000000 
1 1 1  -74    0   20 f   37.049   23.484  584.897  1527.40   0.0000   0.0000  584.897  1527.40   37.049   23.484   37.049   23.484 -0.000000 0.000000 
1 1 1  -74    0   21 o   42.068   26.269  1155.46  1834.75   0.0000   0.0000  1155.46  1834.75   42.068   26.269   42.068   26.269 -0.000000 0.000000 
1 1 1  -74    2    1 f  173.647   16.554 12567.56  2305.83 10050.81  3136.42 15527.83  3401.57  152.024   26.364  191.312   22.317 -39.28773 34.54187 
1 1 1  -74    2    2 o  207.438   11.661 17682.33  1956.11 17124.88  2198.82 19797.54  4283.10  203.747   13.365  215.129   24.985 -11.38226 28.33533 
1 1 1  -74    2    3 o  171.353   10.652 12060.01  1474.71 11475.70  1617.36 14940.92  3591.30  166.867   12.018  186.674   24.267 -19.80701 27.07999 
1 1 1  -74    2    4 o  204.623   13.956 17322.83  2304.96 10435.32  5074.96 19112.86  2587.21  148.646   40.806  214.696   14.934 -66.05037 43.45318 
1 1 1  -74    2    5 o  321.053   14.019 42521.26  3654.59 42687.04  5210.51 42360.73  5127.23  318.364   20.262  317.286   20.004 1.078613 28.47316 
1 1 1  -74    2    6 o  260.439   13.854 28097.59  2919.04 28794.49  4196.68 27444.43  4062.86  260.904   19.962  254.767   19.796 6.136688 28.11300 
1 1 1  -74    2    7 o  225.165   12.669 20991.45  2306.91 20079.43  3333.82 21829.36  3195.50  217.557   19.065  227.694   17.416 -10.13652 25.82244 
1 1 1  -74    2    8 o   64.844   10.148  1768.09  516.778  1336.11  818.680  2054.23  666.299   56.011   16.724   69.533   12.249 -13.52195 20.72992 
1 1 1  -74    2    9 o  171.894   11.009 12247.44  1528.50 12424.51  2224.83 12089.16  2103.52  171.127   16.205  169.094   15.493 2.032944 22.41936 
1 1 1  -74    2   10 o   90.652   10.419  3437.57  752.934  3243.07  1180.58  3570.92  977.546   85.856   17.528   91.519   13.566 -5.662300 22.16430 
1 1 1  -74    2   11 o   68.058   12.422  1990.95  661.156  2493.34  1084.59  1693.86  834.038   74.679   18.080   61.919   16.348 12.76022 24.37523 
1 1 1  -74    2   12 f   43.250   14.250  768.754  580.206  352.066  966.345  1003.65  725.538   42.535   17.464   48.865   15.927 -6.329918 23.63563 
1 1 1  -74    2   13 o   36.868   14.698  341.940  661.904  267.965  997.732  400.089  884.594   41.863   17.516   41.515   16.836 0.3483200 24.29504 
1 1 1  -74    2   14 o   32.773   14.079   27.395  673.946  2776.68  1054.33 -1872.0480  876.359   77.929   17.129   24.318   12.028 53.61127 20.93046 
1 1 1  -74    2   15 o   76.061   13.433  2566.54  799.296  3161.03  1191.80  2080.56  1077.56   81.912   18.372   66.114   19.039 15.79797 26.45793 
1 1 1  -74    2   16 o   34.454   14.867   66.779  758.077 -431.1212  1137.44  464.694  1016.84   36.995   16.916   42.957   17.803 -5.961399 24.55782 
1 1 1  -74    2   17 f   67.196   17.024  2205.82  929.924  1850.01  1422.12  2471.61  1229.11   60.085   22.133   68.829   20.478 -8.744347 30.15367 
1 1 1  -74    2   18 o   62.969   19.331  2125.81  1083.22  1195.19  1554.86  3003.43  1509.94   51.928   21.804   71.214   22.957 -19.28574 31.66191 
1 1 1  -74    2   19 o   49.030   19.343  1273.36  1135.40  2533.61  1686.74  229.212  1535.32   60.763   23.694   42.650   19.557 18.11334 30.72262 
1 1 1  -74    2   20 o   47.382   19.474  1382.10  1203.24  1033.95  1834.19  1645.10  1594.21   45.561   21.066   49.166   21.386 -3.604828 30.01909 
1 1 1  -74    2   21 o   31.554   15.221 -438.5721  1168.07 -2451.5381  1816.41  980.844  1525.28   30.912   15.582   40.786   18.979 -9.873930 24.55596 
1 1 1  -74    4    1 o  195.418   12.688 15739.78  2002.38 16190.09  2249.13 14018.69  4397.03  197.865   14.091  177.628   31.647 20.23671 34.64241 
1 1 1  -74    4    2 o  120.979   10.620  6034.12  1032.70  6021.86  1108.83  6114.30  2836.11  120.705   11.451  116.929   29.788 3.776718 31.91327 
1 1 1  -74    4    3 o  236.447   13.558 23077.64  2592.05 20765.09  2907.20 32042.86  5724.14  223.475   16.130  273.081   26.135 -49.60573 30.71161 
1 1 1  -74    4    4 o   47.546   12.534  962.514  490.765  962.514  490.765   0.0000   0.0000   47.546   12.534  ?   ?  0.000000 12.53421 
1 1 1  -74    4    5 o   81.418   8.0158  2731.90  523.047  3013.02  912.506  2594.35  638.317   84.417   13.789   78.948   10.196 5.468918 17.14898 
1 1 1  -74    4    6 o  184.959   14.817 14267.42  2206.57   0.0000   0.0000 14267.42  2206.57  ?   ?   184.959   14.817 0.000000 14.81717 
1 1 1  -74    4    7 o  174.519   10.512 12558.27  1482.62 13551.51  2246.77 11792.15  1973.25  179.716   15.550  167.881   14.622 11.83481 21.34484 
1 1 1  -74    4    8 o  223.730   13.120 20828.54  2372.92 18560.30  3502.11 22753.76  3226.45  207.185   21.113  231.858   17.262 -24.67274 27.27120 
1 1 1  -74    4    9 o   89.926   9.8609  3367.65  708.200  2854.60  1210.49  3634.64  873.248   80.287   18.885   92.972   11.836 -12.68526 22.28741 
1 1 1  -74    4   10 f  215.534   12.877 19450.52  2243.17 19480.59  3327.23 19425.47  3037.21  211.577   19.590  212.531   17.763 -0.9539490 26.44392 
1 1 1  -74    4   11 o  170.546   11.763 12181.11  1618.97  9901.74  2419.81 14028.23  2178.33  149.091   20.534  181.437   14.918 -32.34599 25.38102 
1 1 1  -74    4   12 o  153.684   11.171  9910.63  1384.50  9993.25  2108.03  9847.96  1836.00  150.863   17.536  151.173   15.162 -0.3109894 23.18187 
1 1 1  -74    4   13 o   81.721   12.453  2880.26  800.217  2654.00  1263.17  3031.93  1034.22   75.418   20.216   82.429   16.030 -7.010605 25.79962 
1 1 1  -74    4   14 o   61.346   14.614  1691.37  717.578  2410.12  1186.72  1277.12  900.942   71.420   19.784   53.813   17.758 17.60714 26.58487 
1 1 1  -74    4   15 o  100.847   12.441  4427.64  997.123  4103.30  1598.85  4634.08  1275.58   90.986   21.905  101.039   16.088 -10.05273 27.17781 
1 1 1  -74    4   16 o   68.568   15.850  2202.18  864.809  3225.82  1484.60  1676.43  1063.96   78.825   22.233   58.925   19.291 19.90026 29.43510 
1 1 1  -74    4   17 o   62.004   18.325  1931.10  986.730  3540.30  1581.62  905.654  1262.57   79.886   23.084   49.036   20.027 30.84959 30.56109 
1 1 1  -74    4   18 o   36.781   15.713  276.093  831.285  746.105  1536.31   81.512  988.493   48.005   20.936   37.144   16.472 10.86135 26.63903 
1 1 1  -74    4   19 o   60.945   20.528  2263.36  1202.78  3308.56  1843.25  1488.27  1587.29   66.437   25.054   51.313   21.812 15.12376 33.21888 
1 1 1  -74    4   20 f   40.704   18.087  673.463  1197.68  2162.48  1857.01 -387.0382  1567.18   51.629   22.752   37.162   17.851 14.46688 28.91894 
1 1 1  -74    4   21 o   30.540   14.723 -444.0496  1089.12  1327.80  1929.43 -1272.6460  1319.43   42.136   20.123   29.543   14.638 12.59295 24.88372 
1 1 1  -74    6    1 o   86.629   11.576  3130.22  793.880  2815.31  837.059  5948.49  2504.12   81.777   13.045  115.733   27.121 -33.95635 30.09529 
1 1 1  -74    6    2 o   91.600   10.436  3478.29  762.349  3066.93  796.239  8004.37  2641.15   85.688   11.754  135.338   24.954 -49.64921 27.58351 
1 1 1  -74    6    3 o  205.617   13.790 17501.54  2288.94 16789.54  2533.20 20668.54  5342.60  200.813   15.660  215.499   31.460 -14.68628 35.14207 
1 1 1  -74    6    4 o  118.036   12.303  5789.49  1161.81  5352.81  1217.46 10241.46  3887.29  113.174   13.516  149.569   32.903 -36.39553 35.57049 
1 1 1  -74    6    5 o   46.534   14.177  900.458  583.966  877.997  590.446  1906.97  3952.45   46.116   14.291   86.522   35.397 -40.40532 38.17329 
1 1 1  -74    6    6 o  114.202   9.2089  5375.48  846.670  3243.73  1373.50  6681.99  1075.26   85.976   20.044  127.141   10.510 -41.16453 22.63258 
1 1 1  -74    6    7 o  118.394   11.404  5828.75  1082.69   0.0000   0.0000  5828.75  1082.69  ?   ?   118.394   11.404 0.000000 11.40352 
1 1 1  -74    6    8 o  166.641   10.229 11473.67  1377.40 13300.34  2158.38 10218.66  1789.05  177.710   15.101  155.922   14.290 21.78746 20.79075 
1 1 1  -74    6    9 o   76.975   9.2702  2471.01  567.744  1454.40  1014.46  2934.64  685.080   58.618   18.809   83.741   10.292 -25.12284 21.44087 
1 1 1  -74    6   10 o   88.496   9.8328  3271.53  694.599  3347.37  1174.04  3230.69  861.564   87.216   17.190   87.187   12.530 0.2935028E-01 21.27194 
1 1 1  -74    6   11 o  223.511   13.241 21077.96  2392.30 21587.54  3563.85 20660.03  3227.53  220.924   20.087  217.482   18.451 3.442566 27.27498 
1 1 1  -74    6   12 o  133.777   10.876  7516.59  1171.18  6206.20  1871.45  8360.18  1501.56  116.652   20.507  139.970   13.375 -23.31824 24.48297 
1 1 1  -74    6   13 o  119.953   10.943  6083.57  1054.05  5901.79  1733.52  6190.21  1327.68  113.500   19.514  119.572   13.936 -6.072205 23.97924 
1 1 1  -74    6   14 o   38.849   15.459  416.606  731.081  1405.10  1143.62 -266.5418  950.714   56.703   19.980   35.534   15.929 21.16939 25.55279 
1 1 1  -74    6   15 o   41.285   15.811  597.006  741.256  1255.63  1271.21  257.690  912.436   54.812   20.774   39.532   16.657 15.27925 26.62708 
1 1 1  -74    6   16 f   48.457   17.027  1041.90  830.102 -3317.5300  1410.94  3349.62  1026.57   28.860   14.433   85.088   15.427 -56.22791 21.12548 
1 1 1  -74    6   17 o   68.078   17.840  2324.91  998.047  3081.71  1665.40  1900.79  1246.72   72.858   24.149   60.229   20.883 12.62901 31.92619 
1 1 1  -74    6   18 o   35.662   15.367  221.029  807.656  1129.75  1588.64 -95.7102  937.909   50.794   21.712   34.701   15.665 16.09280 26.77320 
1 1 1  -74    6   19 o   46.887   10.663  1027.32  396.794 -3069.6440  1766.49  1245.01  407.199   31.993   16.021   52.136   9.9825 -20.14371 18.87680 
1 1 1  -74    6   20 o  108.930   10.447  5558.10  912.648  2916.58  2450.45  5983.52  983.398   52.506   24.303  112.371   10.916 -59.86527 26.64146 
1 1 1  -74    8    1 o  147.393   29.938  9761.96  3460.70   0.0000   0.0000  9761.96  3460.70  ?   ?   147.393   29.938 0.000000 29.93824 
1 1 1  -74    8    2 o  245.920   31.997 27032.77  6237.85   0.0000   0.0000 27032.77  6237.85  ?   ?   245.920   31.997 0.000000 31.99729 
1 1 1  -74    8    3 o  160.155   36.869 12056.90  4695.23   0.0000   0.0000 12056.90  4695.23  ?   ?   160.155   36.869 0.000000 36.86916 
1 1 1  -74    8    4 o  198.644   12.953 16343.86  2077.72 13070.17  2277.05 32623.83  5077.87  176.577   16.057  275.810   22.881 -99.23276 27.95304 
1 1 1  -74    8    5 o   29.089   12.293   33.364  499.385 -93.5653  504.420  6296.88  3543.40   27.485   11.991  115.860   34.838 -88.37428 36.84416 
1 1 1  -74    8    6 o  136.197   14.682  7800.21  1598.00  7586.15  1666.65 10239.09  5625.73  133.996   15.611  141.106   44.177 -7.110046 46.85447 
1 1 1  -74    8    7 o   14.670   6.7321 -133.3162  182.389 -1071.4969  679.703 -60.5218  189.332   23.872   11.539   16.382   7.2397 7.489202 13.62183 
1 1 1  -74    8    8 o  220.332   13.356 20290.60  2378.08 17323.56  3597.95 22592.28  3168.96  198.194   22.771  230.499   17.053 -32.30435 28.44888 
1 1 1  -74    8    9 o   68.177   9.8636  1955.09  530.159  1422.70  1142.37  2101.23  598.516   58.806   20.005   70.499   10.800 -11.69347 22.73381 
1 1 1  -74    8   10 o   89.558   9.6774  3350.44  692.534  1652.15  1322.64  3991.90  812.869   62.687   21.523   97.641   10.414 -34.95367 23.90966 
1 1 1  -74    8   11 o   67.916   11.511  1975.47  612.127  3140.87  1227.29  1589.55  706.243   83.417   18.594   60.036   14.623 23.38095 23.65571 
1 1 1  -74    8   12 o  184.376   12.036 14365.67  1792.04 15267.62  2813.87 13750.24  2324.37  184.862   19.018  177.503   16.310 7.358826 25.05351 
1 1 1  -74    8   13 o   67.901   14.528  2055.26  776.785  2241.98  1412.30  1974.28  930.110   68.971   22.199   65.670   17.228 3.300667 28.10041 
1 1 1  -74    8   14 o  106.323   12.416  4894.49  1051.68  4426.54  1824.35  5127.39  1287.06   93.649   23.909  107.265   15.203 -13.61568 28.33363 
1 1 1  -74    8   15 o   87.737   15.350  3509.90  1053.68  3174.26  1786.66  3688.89  1304.73   77.130   24.984   87.649   18.890 -10.51937 31.32132 
1 1 1  -74    8   16 o   83.062   8.4474  2931.76  561.794  1909.86  1686.65  3059.28  595.817   61.724   23.797   84.712   8.7902 -22.98756 25.36892 
1 1 1  -74    8   17 o   33.847   10.398  503.676  313.353 -2697.4070  1517.71  646.206  320.253   31.610   15.669   37.958   10.181 -6.347408 18.68603 
1 1 1  -74    8   18 o   16.941   7.6509 -98.7551  223.985 -1068.6610  1877.83 -84.7567  225.595   40.325   19.413   17.247   7.7436 23.07837 20.90085 
1 1 1  -74    8   19 o   37.302   11.735  663.155  396.407 -1841.9840  1859.40  782.436  405.735   35.713   17.637   40.278   11.707 -4.565422 21.16860 
1 1 1  -74    8   20 o   43.300   13.086  989.374  499.033  3083.52  2087.42  862.432  513.935   53.540   23.830   40.376   13.417 13.16380 27.34754 
1 1 1  -74   10    1 o  328.011   34.778 49059.79  9121.17   0.0000   0.0000 49059.79  9121.17  ?   ?   328.011   34.778 0.000000 34.77761 
1 1 1  -74   10    2 o  366.834   37.571 62556.53 11032.83   0.0000   0.0000 62556.53 11032.83  ?   ?   366.834   37.571 0.000000 37.57073 
1 1 1  -74   10    3 o  265.724   34.912 32573.61  7350.35   0.0000   0.0000 32573.61  7350.35  ?   ?   265.724   34.912 0.000000 34.91247 
1 1 1  -74   10    4 o  163.766   40.568 13256.91  5366.55   0.0000   0.0000 13256.91  5366.55  ?   ?   163.766   40.568 0.000000 40.56812 
1 1 1  -74   10    5 o   56.037   16.388  1341.95  792.860  1260.22  811.167  3091.42  3753.02   54.649   16.721   91.157   35.399 -36.50793 39.14927 
1 1 1  -74   10    6 f  112.274   15.824  5375.66  1402.55  5308.30  1447.34  6413.84  5681.71  111.325   16.512  115.986   43.928 -4.661491 46.92931 
1 1 1  -74   10    7 o   32.891   13.112  240.195  526.727  240.195  526.727   0.0000   0.0000   32.891   13.112  ?   ?  0.000000 13.11153 
1 1 1  -74   10    8 o  202.473   16.016 17420.69  2611.49   0.0000   0.0000 17420.69  2611.49  ?   ?   202.473   16.016 0.000000 16.01556 
1 1 1  -74   10    9 o   91.909   9.2941  3516.80  684.058  1515.05  1390.07  4156.46  785.789   61.542   21.991   99.860   9.8181 -38.31818 24.08316 
1 1 1  -74   10   10 o   18.186   8.3983 -229.4749  290.203 -1057.7581  1020.60 -156.6156  302.698   31.854   15.044   19.696   8.8949 12.15794 17.47686 
1 1 1  -74   10   11 o   91.811   9.8228  3537.53  720.909  4541.68  1471.50  3220.40  826.948  100.383   18.743   86.836   12.053 13.54641 22.28412 
1 1 1  -74   10   12 o  135.518   10.830  7741.20  1181.70  7376.49  2011.59  7933.38  1460.22  126.778   20.221  135.896   13.408 -9.118843 24.26238 
1 1 1  -74   10   13 o   60.339   13.441  1618.90  641.621  1832.08  1315.75  1552.39  734.927   63.134   21.469   58.583   15.288 4.551025 26.35627 
1 1 1  -74   10   14 o  204.404   10.308 17695.08  1705.29 18335.40  3506.64 17496.74  1951.60  193.560   22.746  201.816   11.963 -8.256622 25.69968 
1 1 1  -74   10   15 o   78.392   8.6401  2608.86  540.825  2852.72  1640.43  2579.13  572.853   73.213   23.953   77.690   9.2637 -4.477272 25.68167 
1 1 1  -74   10   16 o  124.376   9.0129  6599.95  904.030  5877.13  2378.79  6721.97  977.360   97.097   28.383  125.051   9.7016 -27.95331 29.99553 
1 1 1  -74   10   17 o   36.388   11.720  589.588  393.608  376.913  1705.22  601.557  404.532   47.011   21.182   36.734   11.887 10.27764 24.28956 
1 1 1  -74   10   18 o   30.837   10.682  406.031  326.156  1057.46  1622.75  378.608  332.951   48.683   21.366   30.225   10.767 18.45728 23.92556 
1 1 1  -74   10   19 o   67.229   10.080  2087.98  533.261 -1699.0270  1964.82  2389.12  554.057   36.274   17.953   72.299   9.6812 -36.02463 20.39724 
1 1 1  -74   10   20 o   27.467   11.276  254.278  402.788  1430.30  1953.39  202.055  411.634   43.756   20.710   26.731   11.221 17.02519 23.55472 
1 1 1  -74   12    1 o  319.067   35.225 47212.74  8973.59   0.0000   0.0000 47212.74  8973.59  ?   ?   319.067   35.225 0.000000 35.22482 
1 1 1  -74   12    2 o  218.468   35.679 22454.66  6110.47   0.0000   0.0000 22454.66  6110.47  ?   ?   218.468   35.679 0.000000 35.67862 
1 1 1  -74   12    3 o   64.322   29.094 -1102.2710  3253.30   0.0000   0.0000 -1102.2710  3253.30  ?   ?    64.322   29.094 0.000000 29.09416 
1 1 1  -74   12    4 o  137.237   40.794  9553.79  4879.17   0.0000   0.0000  9553.79  4879.17  ?   ?   137.237   40.794 0.000000 40.79382 
1 1 1  -74   12    5 o  194.816   41.848 19390.66  6422.24   0.0000   0.0000 19390.66  6422.24  ?   ?   194.816   41.848 0.000000 41.84801 
1 1 1  -74   12    6 o   57.848   19.270  1379.20  1060.02  1205.02  1084.86  5052.82  4982.17   55.544   19.468  105.534   40.840 -49.98957 45.24328 
1 1 1  -74   12    7 o   64.549   19.063  1827.24  1068.20  1827.24  1068.20   0.0000   0.0000   64.549   19.063  ?   ?  0.000000 19.06326 
1 1 1  -74   12    8 o   73.022   19.894  2395.31  1211.59  2395.31  1211.59   0.0000   0.0000   73.022   19.894  ?   ?  0.000000 19.89392 
1 1 1  -74   12    9 o   84.375   9.1315  2971.07  615.619  2311.71  1399.64  3129.23  685.486   71.486   21.979   86.403   9.9527 -14.91759 24.12740 
1 1 1  -74   12   10 o  141.681   11.019  8421.15  1257.61  6448.94  2251.90  9315.05  1516.06  116.671   24.548  148.279   12.715 -31.60705 27.64590 
1 1 1  -74   12   11 o   69.684   10.887  2076.07  595.869  163.082  1338.05  2549.29  665.502   46.124   19.826   77.364   10.896 -31.23923 22.62318 
1 1 1  -74   12   12 o   98.993   10.499  4152.42  831.058  3949.33  1685.57  4217.65  955.233   90.047   22.978   99.104   12.124 -9.056915 25.98005 
1 1 1  -74   12   13 o   65.511   8.1031  1808.07  421.838  589.533  1484.40  1915.13  439.978   50.613   21.281   67.418   8.2068 -16.80425 22.80882 
1 1 1  -74   12   14 o   22.670   9.6762   13.422  314.701  3070.77  1454.64 -136.7008  322.334   77.778   22.032   20.541   9.2365 57.23745 23.88934 
1 1 1  -74   12   15 o   69.415   9.1325  2069.80  502.237 -499.8401  1756.69  2298.53  524.114   44.630   20.629   73.258   9.0005 -28.62748 22.50692 
1 1 1  -74   12   16 o  146.486   9.5873  9251.23  1134.04  6406.18  2688.89  9866.77  1250.71   95.309   30.627  150.641   10.287 -55.33215 32.30799 
1 1 1  -74   12   17 o   38.454   12.180  678.931  426.421  875.287  1950.95  669.080  436.987   50.449   22.701   38.244   12.353 12.20460 25.84400 
1 1 1  -74   12   18 o   31.720   12.151  394.362  437.859  5378.72  1844.21   96.610  450.748   87.698   24.795   26.902   11.534 60.79635 27.34615 
1 1 1  -74   12   19 o   41.773   14.055  926.075  563.863  2291.57  2080.35  817.807  585.790   50.648   23.049   39.621   14.263 11.02688 27.10529 
1 1 1  -74   14    1 o  183.169   34.711 15953.48  4973.51   0.0000   0.0000 15953.48  4973.51  ?   ?   183.169   34.711 0.000000 34.71104 
1 1 1  -74   14    2 o  163.812   37.881 13246.86  4938.08   0.0000   0.0000 13246.86  4938.08  ?   ?   163.812   37.881 0.000000 37.88122 
1 1 1  -74   14    3 o  378.094   43.979 73228.29 13249.13   0.0000   0.0000 73228.29 13249.13  ?   ?   378.094   43.979 0.000000 43.97851 
1 1 1  -74   14    4 o  296.846   42.172 44975.73  9878.96   0.0000   0.0000 44975.73  9878.96  ?   ?   296.846   42.172 0.000000 42.17234 
1 1 1  -74   14    5 f  120.344   42.737  7597.66  5242.10   0.0000   0.0000  7597.66  5242.10  ?   ?   120.344   42.737 0.000000 42.73665 
1 1 1  -74   14    6 o  132.997   47.371 10319.03  6445.16   0.0000   0.0000 10319.03  6445.16  ?   ?   132.997   47.371 0.000000 47.37078 
1 1 1  -74   14    7 o   88.612   22.552  3605.42  1626.68  3400.94  1682.34  6542.97  6376.44   85.839   23.466  111.682   45.234 -25.84344 50.95797 
1 1 1  -74   14    8 o   43.390   18.321  197.086  1107.58  197.086  1107.58   0.0000   0.0000   43.390   18.321  ?   ?  0.000000 18.32061 
1 1 1  -74   14    9 o   30.798   11.059  339.219  351.963   0.0000   0.0000  339.219  351.963  ?   ?    30.798   11.059 0.000000 11.05918 
1 1 1  -74   14   10 o  126.428   10.902  6730.61  1108.26  4357.89  2299.74  7448.31  1264.81   92.961   28.092  132.612   11.872 -39.65071 30.49750 
1 1 1  -74   14   11 o  231.830   11.924 22778.93  2236.91 14492.89  4648.41 25276.02  2551.80  158.412   36.836  243.311   12.963 -84.89929 39.05053 
1 1 1  -74   14   12 o   21.542   8.8278   72.620  246.350 -1217.3669  1452.23  110.841  249.973   38.177   18.004   22.549   9.0179 15.62776 20.13625 
1 1 1  -74   14   13 o   46.970   19.873  455.319  1307.61  1072.94  2675.03  261.405  1498.90   62.702   27.478   47.640   20.730 15.06170 34.42039 
1 1 1  -74   14   14 o   16.132   7.6278 -292.3484  263.773 -280.0439  1486.16 -292.7487  268.028   42.977   19.528   16.309   7.7046 26.66751 20.99324 
1 1 1  -74   14   15 o   79.939   8.8075  2739.08  562.192 -78.7328  2012.89  2977.48  585.491   48.586   22.321   83.393   8.7785 -34.80693 23.98553 
1 1 1  -74   14   16 o   39.711   11.839  722.089  410.482 -1905.0110  1889.02  852.285  420.530   38.337   18.692   42.968   11.726 -4.630665 22.06572 
1 1 1  -74   14   17 o   39.006   12.543  715.371  450.935 -625.8006  2079.28  781.563  461.929   42.851   20.578   40.536   12.654 2.314743 24.15683 
1 1 1  -74   14   18 o   34.598   13.310  520.102  526.689  2135.35  2254.93  426.896  541.672   51.957   23.779   33.181   13.273 18.77547 27.23302 
1 1 1  -74   14   19 o   63.193   14.349  2184.50  719.451  1815.65  2658.23  2213.66  747.344   45.295   22.104   62.990   14.854 -17.69567 26.63091 
1 1 1  -74   16    1 o  235.658   36.746 27127.40  6801.93   0.0000   0.0000 27127.40  6801.93  ?   ?   235.658   36.746 0.000000 36.74629 
1 1 1  -74   16    2 o  246.402   39.152 30435.79  7571.07   0.0000   0.0000 30435.79  7571.07  ?   ?   246.402   39.152 0.000000 39.15166 
1 1 1  -74   16    3 o  159.854   43.656 13908.77  5826.15   0.0000   0.0000 13908.77  5826.15  ?   ?   159.854   43.656 0.000000 43.65567 
1 1 1  -74   16    4 o  173.274   46.635 17095.89  6706.00   0.0000   0.0000 17095.89  6706.00  ?   ?   173.274   46.635 0.000000 46.63519 
1 1 1  -74   16    5 o  167.437   48.118 16712.07  6889.04   0.0000   0.0000 16712.07  6889.04  ?   ?   167.437   48.118 0.000000 48.11797 
1 1 1  -74   16    6 o   72.656   34.003 -2190.9529  5010.23   0.0000   0.0000 -2190.9529  5010.23  ?   ?    72.656   34.003 0.000000 34.00335 
1 1 1  -74   16    7 o   84.912   26.546  3419.95  2032.14  2914.17  2123.52  8920.01  7002.65   79.597   27.274  119.094   47.694 -39.49756 54.94155 
1 1 1  -74   16    8 o   78.494   26.721  2880.36  2038.18  2880.36  2038.18   0.0000   0.0000   78.494   26.721  ?   ?  0.000000 26.72087 
1 1 1  -74   16   10 o   18.733   7.7917   35.492  195.785 -2612.1851  1471.34   83.219  197.542   32.825   16.108   20.018   8.0128 12.80678 17.99051 
1 1 1  -74   16   11 o   22.569   8.8579  129.012  236.954  3585.17  1639.04   55.235  239.470   85.071   23.123   20.904   8.6494 64.16728 24.68754 
1 1 1  -74   16   12 o  122.946   8.1671  6320.86  810.668  5047.30  2764.30  6440.70  847.951   92.385   31.120  123.973   8.4746 -31.58737 32.25355 
1 1 1  -74   16   13 o   29.466   10.434  331.110  312.241  3921.48  2011.37  242.450  316.073   83.535   26.451   27.370   10.362 56.16528 28.40855 
1 1 1  -74   16   14 o   68.685   8.8885  2026.86  484.083  1148.37  2376.84  2064.87  494.446   58.199   25.689   69.288   9.0013 -11.08923 27.22016 
1 1 1  -74   16   15 o   32.796   11.578  439.940  384.163  681.142  2394.52  433.567  389.205   53.516   24.497   32.714   11.642 20.80149 27.12273 
1 1 1  -74   16   16 o   48.249   11.593  1088.62  448.499  2184.75  2687.46  1057.22  454.878   58.185   26.369   47.418   11.848 10.76660 28.90876 
1 1 1  -74   16   17 o   36.571   13.372  612.361  517.661  995.328  2528.75  595.610  528.861   48.917   23.271   36.326   13.475 12.59122 26.89121 
1 1 1  -74   16   18 o   24.121   10.858 -60.4105  446.889 -2155.6111  3084.79 -15.4962  451.654   39.650   20.025   24.787   11.055 14.86335 22.87408 
1 1 1  -74   18    1 o  183.746   40.575 17766.26  5891.95   0.0000   0.0000 17766.26  5891.95  ?   ?   183.746   40.575 0.000000 40.57549 
1 1 1  -74   18    2 o  105.234   40.030  5443.51  4731.00   0.0000   0.0000  5443.51  4731.00  ?   ?   105.234   40.030 0.000000 40.03011 
1 1 1  -74   18    3 o  160.305   45.820 14973.95  6262.65   0.0000   0.0000 14973.95  6262.65  ?   ?   160.305   45.820 0.000000 45.82028 
1 1 1  -74   18    4 o   93.268   40.191  2909.70  5525.19   0.0000   0.0000  2909.70  5525.19  ?   ?    93.268   40.191 0.000000 40.19071 
1 1 1  -74   18    5 o  106.506   44.062  5924.00  6213.05   0.0000   0.0000  5924.00  6213.05  ?   ?   106.506   44.062 0.000000 44.06184 
1 1 1  -74   18    6 f  104.901   44.633  5854.14  6657.42   0.0000   0.0000  5854.14  6657.42  ?   ?   104.901   44.633 0.000000 44.63275 
1 1 1  -74   18    7 o   80.720   38.512 -2233.9641  7031.00   0.0000   0.0000 -2233.9641  7031.00  ?   ?    80.720   38.512 0.000000 38.51204 
1 1 1  -74   18    8 o   59.399   24.236  1055.87  1846.81  1023.77  1893.83  1678.19  8339.57   59.551   24.449   91.199   43.051 -31.64790 49.50848 
1 1 1  -74   18    9 o  100.047   10.795  4247.31  863.034   0.0000   0.0000  4247.31  863.034  ?   ?   100.047   10.795 0.000000 10.79494 
1 1 1  -74   18   10 o   57.201   10.735  1419.90  480.270  145.173  2141.72  1487.40  492.820   54.558   24.218   58.570   10.759 -4.011627 26.50048 
1 1 1  -74   18   11 o   38.945   9.3547  661.033  292.110 -2853.1479  2098.62  730.462  294.981   40.342   19.676   41.005   9.0976 -0.6634216 21.67777 
1 1 1  -74   18   12 o   54.964   8.6630  1295.54  373.819  2568.05  2326.10  1261.80  378.742   69.948   27.657   54.144   8.9261 15.80406 29.06205 
1 1 1  -74   18   13 o   74.293   8.3810  2351.35  496.736 -1142.0920  2734.25  2470.59  505.142   50.577   24.099   76.208   8.2976 -25.63084 25.48755 
1 1 1  -74   18   14 o   23.956   9.9138   96.746  314.660  4280.42  2383.26   22.524  317.439   78.423   28.688   22.671   9.6985 55.75153 30.28333 
1 1 1  -74   18   15 o   70.043   9.4377  2164.60  523.082  3233.77  2870.46  2127.88  531.989   64.184   28.286   69.272   9.7262 -5.087875 29.91119 
1 1 1  -74   18   16 o   23.079   10.447 -133.4095  420.383 -2742.3760  3005.54 -81.3508  424.557   41.989   21.008   23.844   10.670 18.14564 23.56270 
1 1 1  -74   18   17 o   73.423   14.917  2859.00  858.958  2869.74  3848.07  2858.43  881.191   50.744   25.117   72.857   15.379 -22.11328 29.45088 
1 1 1  -74   20    1 o  169.232   41.439 15901.19  5648.57   0.0000   0.0000 15901.19  5648.57  ?   ?   169.232   41.439 0.000000 41.43870 
1 1 1  -74   20    2 o   61.045   29.243 -3817.6101  4142.81   0.0000   0.0000 -3817.6101  4142.81  ?   ?    61.045   29.243 0.000000 29.24347 
1 1 1  -74   20    3 o   98.132   41.058  4464.31  5482.44   0.0000   0.0000  4464.31  5482.44  ?   ?    98.132   41.058 0.000000 41.05845 
1 1 1  -74   20    4 o  167.804   53.742 20506.99  8284.82   0.0000   0.0000 20506.99  8284.82  ?   ?   167.804   53.742 0.000000 53.74217 
1 1 1  -74   20    5 o  127.803   50.771 12438.20  7872.79   0.0000   0.0000 12438.20  7872.79  ?   ?   127.803   50.771 0.000000 50.77108 
1 1 1  -74   20    6 o   85.526   39.896  737.394  6806.00   0.0000   0.0000  737.394  6806.00  ?   ?    85.526   39.896 0.000000 39.89591 
1 1 1  -74   20    7 o  131.548   54.021 16986.23  9249.18   0.0000   0.0000 16986.23  9249.18  ?   ?   131.548   54.021 0.000000 54.02124 
1 1 1  -74   20    8 o   39.040   10.028  662.003  319.568  471.612  2079.36  666.608  323.410   56.395   24.478   39.171   10.103 17.22462 26.48042 
1 1 1  -74   20    9 o   41.628   10.851  759.260  370.497   0.0000   0.0000  759.260  370.497  ?   ?    41.628   10.851 0.000000 10.85061 
1 1 1  -74   20   10 o  147.225   13.204  9472.63  1561.68  6588.17  4105.45  9960.61  1688.61   96.374   37.136  150.350   13.993 -53.97580 39.68440 
1 1 1  -74   20   11 o   38.946   10.438  669.268  336.781  1629.23  2785.44  655.026  339.270   64.695   28.203   38.543   10.538 26.15176 30.10755 
1 1 1  -74   20   12 o   34.272   9.9649  514.743  293.906  391.629  2942.07  515.984  295.383   57.548   26.634   34.313   9.9936 23.23499 28.44699 
1 1 1  -74   20   13 o   41.156   10.516  764.321  352.727  3975.74  3128.04  722.960  354.991   72.295   30.671   40.005   10.714 32.28987 32.48868 
1 1 1  -74   20   14 o   42.484   11.247  835.587  394.075  3273.30  3018.48  793.317  397.477   64.315   28.639   41.364   11.447 22.95131 30.84181 
1 1 1  -74   20   15 o   33.087   13.417  367.050  561.702 -561.0730  3157.07  397.391  570.809   47.532   23.379   33.681   13.571 13.85094 27.03219 
1 1 1  -74   20   16 o   64.335   16.065  2285.02  836.650 -3073.1379  3756.65  2564.66  858.205   42.033   21.326   68.787   15.710 -26.75335 26.48750 
1 1 1  -74   22    1 o   55.906   26.503 -2478.3169  3224.02   0.0000   0.0000 -2478.3169  3224.02  ?   ?    55.906   26.503 0.000000 26.50260 
1 1 1  -74   22    2 o   59.184   28.834 -5213.5928  4471.07   0.0000   0.0000 -5213.5928  4471.07  ?   ?    59.184   28.834 0.000000 28.83436 
1 1 1  -74   22    3 o  105.058   42.354  6717.98  5562.42   0.0000   0.0000  6717.98  5562.42  ?   ?   105.058   42.354 0.000000 42.35371 
1 1 1  -74   22    4 o  122.706   49.469 12075.49  7588.56   0.0000   0.0000 12075.49  7588.56  ?   ?   122.706   49.469 0.000000 49.46918 
1 1 1  -74   22    5 o  118.576   50.031 12372.39  8250.68   0.0000   0.0000 12372.39  8250.68  ?   ?   118.576   50.031 0.000000 50.03146 
1 1 1  -74   22    6 o  107.171   47.647  9971.06  8321.55   0.0000   0.0000  9971.06  8321.55  ?   ?   107.171   47.647 0.000000 47.64701 
1 1 1  -74   22    7 o  131.950   56.600 23926.07 10864.40   0.0000   0.0000 23926.07 10864.40  ?   ?   131.950   56.600 0.000000 56.59988 
1 1 1  -74   22    8 o   53.786   10.917  1266.88  460.465  2056.31  3497.85  1252.96  464.507   72.182   31.532   53.437   11.070 18.74516 33.41861 
1 1 1  -74   22    9 o  161.727   15.187 11738.30  1971.00   0.0000   0.0000 11738.30  1971.00  ?   ?   161.727   15.187 0.000000 15.18731 
1 1 1  -74   22   10 o   57.040   13.517  1489.52  616.458  2155.01  3211.95  1464.06  628.135   67.982   29.942   56.428   13.819 11.55409 32.97743 
1 1 1  -74   22   11 o   50.669   14.329  1202.94  615.857  2352.83  3716.78  1170.48  624.490   67.141   30.653   49.970   14.524 17.17117 33.91973 
1 1 1  -74   22   12 o   73.290   8.4695  2312.74  494.731  2908.31  4109.65  2303.99  498.355   65.802   30.796   73.108   8.5572 -7.305977 31.96247 
1 1 1  -74   22   13 o   27.696   11.916   69.939  484.103 -2216.2141  3627.95  111.383  488.471   48.451   24.052   28.384   12.084 20.06610 26.91705 
1 1 1  -74   22   14 o   31.394   13.387  204.264  601.350  7912.46  3981.62   24.332  608.328   72.723   32.600   29.354   12.974 43.36919 35.08691 
1 1 1  -74   22   15 o   47.657   16.190  1276.85  748.244 -3257.2180  3815.29  1458.21  763.062   42.047   21.349   50.698   16.318 -8.651657 26.87056 
1 1 1  -74   24    1 f   84.001   36.544  2960.45  4655.93   0.0000   0.0000  2960.45  4655.93  ?   ?    84.001   36.544 0.000000 36.54368 
1 1 1  -74   24    2 o   88.051   39.904  3303.93  6153.80   0.0000   0.0000  3303.93  6153.80  ?   ?    88.051   39.904 0.000000 39.90352 
1 1 1  -74   24    3 o   49.339   24.988 -13025.7695  5010.11   0.0000   0.0000 -13025.7695  5010.11  ?   ?    49.339   24.988 0.000000 24.98811 
1 1 1  -74   24    4 o   95.980   44.060  6598.11  7821.55   0.0000   0.0000  6598.11  7821.55  ?   ?    95.980   44.060 0.000000 44.05997 
1 1 1  -74   24    5 o  102.282   47.092 10710.43  9025.94   0.0000   0.0000 10710.43  9025.94  ?   ?   102.282   47.092 0.000000 47.09213 
1 1 1  -74   24    6 o   84.430   40.968  3206.21  8781.72   0.0000   0.0000  3206.21  8781.72  ?   ?    84.430   40.968 0.000000 40.96823 
1 1 1  -74   24    7 o   26.708   9.5860  260.792  264.407   0.0000   0.0000  260.792  264.407  ?   ?    26.708   9.5860 0.000000 9.585972 
1 1 1  -74   24    8 o   19.650   8.7313 -84.9562  279.048  2751.08  4725.24 -94.8814  279.536   73.698   33.983   19.510   8.6994 54.18842 35.07906 
1 1 1  -74   24    9 f   57.156   13.362  1503.91  609.013   0.0000   0.0000  1503.91  609.013  ?   ?    57.156   13.362 0.000000 13.36222 
1 1 1  -74   24   10 o   45.619   14.528  967.832  606.090 -2034.3800  4791.07  1016.66  610.998   57.112   28.224   46.603   14.554 10.50861 31.75566 
1 1 1  -74   24   11 o   39.295   14.390  660.971  599.861 -3375.5901  3798.16  764.231  607.485   48.463   24.149   41.218   14.558 7.244892 28.19757 
1 1 1  -74   24   12 o   47.354   15.860  1128.99  717.927 -6385.8042  5233.10  1273.14  724.780   47.891   24.383   49.942   15.885 -2.050785 29.10110 
1 1 1  -74   24   13 o   88.979   17.179  4250.07  1196.19  6499.00  5910.16  4154.01  1221.47   59.494   29.720   87.028   17.884 -27.53436 34.68593 
1 1 1  -74   26    1 o   89.911   41.022  5666.23  6643.57   0.0000   0.0000  5666.23  6643.57  ?   ?    89.911   41.022 0.000000 41.02243 
1 1 1  -74   26    2 f  140.014   56.552 26708.16  9937.00   0.0000   0.0000 26708.16  9937.00  ?   ?   140.014   56.552 0.000000 56.55193 
1 1 1  -74   26    3 o   81.218   39.246  2530.62  7848.26   0.0000   0.0000  2530.62  7848.26  ?   ?    81.218   39.246 0.000000 39.24625 
1 1 1  -74   26    4 o  106.024   49.430 18554.68 10424.67   0.0000   0.0000 18554.68 10424.67  ?   ?   106.024   49.430 0.000000 49.43027 
1 1 1  -74   26    5 o   75.602   37.591  297.495  9002.87   0.0000   0.0000  297.495  9002.87  ?   ?    75.602   37.591 0.000000 37.59135 
1 1 1  -74   26    6 o   88.376   43.747 14865.81 11681.76   0.0000   0.0000 14865.81 11681.76  ?   ?    88.376   43.747 0.000000 43.74689 
1 1 1  -74   26    7 o   52.200   12.158  1238.47  505.724   0.0000   0.0000  1238.47  505.724  ?   ?    52.200   12.158 0.000000 12.15806 
1 1 1  -74   26    8 o   13.977   6.8226 -452.8857  253.712 -3971.7859  7128.32 -448.4223  253.873   60.735   30.646   14.025   6.8412 46.70996 31.40047 
1 1 1  -74   26    9 o   59.842   15.405  1756.90  752.964  7688.70  6741.50  1681.96  757.705   72.940   35.508   58.380   15.661 14.56078 38.80806 
1 1 1  -74   26   10 o  109.121   15.687  5853.68  1349.92  8431.39  7593.04  5769.55  1371.77   67.449   33.693  107.759   16.177 -40.31005 37.37569 
1 1 1  -74   26   11 o   63.487   32.247 11989.84  8760.38 11989.84  8760.38   0.0000   0.0000   63.487   32.247  ?   ?  0.000000 32.24653 
1 1 1  -74   28    1 o   63.906   31.764 -3403.4189  6403.05   0.0000   0.0000 -3403.4189  6403.05  ?   ?    63.906   31.764 0.000000 31.76391 
1 1 1  -74   28    2 o   90.004   43.225 13055.77  9179.49   0.0000   0.0000 13055.77  9179.49  ?   ?    90.004   43.225 0.000000 43.22525 
1 1 1  -74   28    3 o   78.448   38.356  6161.99  8116.90   0.0000   0.0000  6161.99  8116.90  ?   ?    78.448   38.356 0.000000 38.35593 
1 1 1  -74   28    8 o   64.307   33.226 14581.25 15739.25   0.0000   0.0000 14581.25 15739.25  ?   ?    64.307   33.226 0.000000 33.22564 
1 1 1  -74   28    9 o   58.033   30.119  5098.25 16311.68   0.0000   0.0000  5098.25 16311.68  ?   ?    58.033   30.119 0.000000 30.11918 
1 1 1  -73    1    1 o  143.406   16.514  8586.86  1887.74  9395.89  2634.73  7733.45  2706.04  148.427   22.573  133.389   25.919 15.03828 34.37035 
1 1 1  -73    1    2 o   97.035   19.789  4045.42  1506.30  2558.30  2102.34  5614.14  2159.25   80.031   27.139  113.650   24.144 -33.61911 36.32406 
1 1 1  -73    1    3 o   56.320   20.830  1053.43  1261.79  705.162  1759.15  1422.46  1810.84   58.934   23.797   66.200   24.860 -7.266376 34.41409 
1 1 1  -73    1    4 o  349.891   15.166 50458.47  4308.64 49715.71  6102.63 51196.74  6084.08  343.855   21.972  349.176   21.565 -5.320251 30.78673 
1 1 1  -73    1    5 o  310.923   12.916 39723.95  3260.72 37248.46  5125.20 41407.32  4226.40  297.310   21.373  315.830   16.538 -18.51938 27.02466 
1 1 1  -73    1    6 f  134.441   9.0953  7420.69  987.018  6954.54  1444.26  7829.19  1352.01  129.131   13.999  137.505   12.237 -8.374176 18.59341 
1 1 1  -73    1    7 o  119.427   8.9471  5865.96  861.306  5893.17  1247.74  5841.20  1190.42  118.830   13.152  118.438   12.571 0.3923035 18.19363 
1 1 1  -73    1    8 o  264.542   14.438 29139.70  3089.46 27730.42  4391.19 30521.03  4347.45  254.248   21.472  267.646   20.153 -13.39784 29.44775 
1 1 1  -73    1    9 o  231.174   13.095 22241.36  2447.95 24488.87  3499.41 20087.66  3425.61  240.000   18.091  216.327   19.719 23.67253 26.76020 
1 1 1  -73    1   10 o  171.705   11.186 12245.60  1551.04 12264.11  2238.40 12228.51  2151.20  169.652   16.457  169.717   15.792 -0.6558228E-01 22.80778 
1 1 1  -73    1   11 o   86.974   11.224  3188.07  774.148  3168.92  1105.05  3206.53  1084.85   84.993   16.608   85.651   16.192 -0.6580887 23.19512 
1 1 1  -73    1   12 o   45.901   14.822  879.068  629.194  759.248  891.499  997.988  888.139   46.701   17.461   50.190   17.614 -3.488739 24.80197 
1 1 1  -73    1   13 o   97.301   12.036  4034.86  930.650  3626.52  1361.94  4392.54  1274.66   89.016   19.392   99.738   16.303 -10.72124 25.33436 
1 1 1  -73    1   14 o  123.711   12.110  6535.38  1200.86  7450.77  1750.56  5721.75  1650.41  129.174   17.111  111.930   18.828 17.24458 25.44207 
1 1 1  -73    1   15 o   24.352   11.645 -815.6779  650.499 -3019.2190  995.054  828.859  859.623   22.814   11.504   46.360   17.183 -23.54600 20.67848 
1 1 1  -73    1   16 o   38.551   15.930  329.048  810.708  2505.15  1159.06 -1755.3210  1134.37   71.593   19.438   29.721   14.490 41.87143 24.24472 
1 1 1  -73    1   17 o   21.343   10.634 -1735.1650  735.251 -1429.2610  1017.09 -2070.0020  1064.10   28.665   13.917   26.839   13.271 1.825342 19.23000 
1 1 1  -73    1   18 o   45.028   17.821  820.644  966.678 -217.6682  1346.31  1925.62  1388.86   40.085   18.356   59.489   21.879 -19.40446 28.55968 
1 1 1  -73    1   19 o   58.050   19.539  1910.46  1089.71  1816.68  1544.56  2003.41  1537.64   55.408   22.325   57.213   22.530 -1.805138 31.71733 
1 1 1  -73    1   20 o   58.298   19.988  2184.29  1140.53  3908.06  1575.61  286.813  1653.09   73.385   23.430   41.824   19.560 31.56133 30.52146 
1 1 1  -73    1   21 o   38.163   17.511  547.732  1233.59  2738.54  1877.33 -1117.0140  1636.49   51.409   22.754   33.462   16.529 17.94718 28.12392 
1 1 1  -73    3    1 o  153.098   9.1472  9597.32  1131.90  8656.41  1232.19 14681.63  2864.30  145.165   10.525  187.215   19.110 -42.05078 21.81725 
1 1 1  -73    3    2 o  324.540   17.343 43665.54  4553.54 43930.39  5348.17 42967.57  8681.93  324.239   20.419  312.434   34.815 11.80566 40.36108 
1 1 1  -73    3    3 o  118.657   10.069  5793.74  960.966  5359.04  1024.08  8997.62  2780.22  113.896   11.219  144.308   24.610 -30.41267 27.04693 
1 1 1  -73    3    4 o  460.000   20.090 88290.52  7503.60 84769.63  8925.94 96773.77 13855.09  447.079   24.684  465.812   36.935 -18.73300 44.42391 
1 1 1  -73    3    5 o  145.560   10.014  8706.97  1176.38   0.0000   0.0000  8706.97  1176.38  ?   ?   145.560   10.014 0.000000 10.01424 
1 1 1  -73    3    6 f  197.462   11.167 16046.56  1783.10 17019.06  2630.75 15220.14  2425.14  201.910   16.183  191.006   15.778 10.90407 22.60150 
1 1 1  -73    3    7 o  231.931   12.729 22245.70  2387.87 23431.59  3484.60 21195.80  3278.72  235.774   18.346  224.263   18.162 11.51122 25.81542 
1 1 1  -73    3    8 o   98.621   9.2371  4020.55  731.066  3448.84  1169.38  4387.37  936.679   89.441   16.717  102.594   11.439 -13.15228 20.25584 
1 1 1  -73    3    9 o   86.941   9.8765  3146.66  684.841  3516.79  1110.60  2919.56  869.921   90.430   15.694   82.848   13.388 7.582542 20.62929 
1 1 1  -73    3   10 o  204.874   12.355 17503.86  2045.62 18198.72  3013.39 16909.97  2785.87  205.789   18.223  198.784   17.436 7.004868 25.22061 
1 1 1  -73    3   11 o   23.148   10.430 -200.1451  413.393  1123.06  834.447 -630.5278  475.897   51.968   17.087   20.897   9.9838 31.07047 19.79028 
1 1 1  -73    3   12 o  173.346   11.655 12604.82  1630.96 13432.63  2440.58 11936.83  2192.38  175.653   17.338  166.046   16.479 9.606628 23.91983 
1 1 1  -73    3   13 o  160.118   11.799 10826.34  1523.23 12172.54  2244.29  9676.55  2074.11  166.639   16.817  147.901   17.618 18.73817 24.35562 
1 1 1  -73    3   14 o   35.673   14.596  253.735  672.174  1042.43  1011.67 -369.6161  899.398   51.208   18.698   33.788   15.289 17.42002 24.15264 
1 1 1  -73    3   15 o   86.372   13.843  3300.25  938.049  4058.85  1419.95  2712.81  1249.53   92.572   19.506   75.067   20.100 17.50533 28.00903 
1 1 1  -73    3   16 o  127.204   12.457  7067.98  1270.08  7601.34  1811.31  6552.09  1781.39  127.348   18.020  116.874   19.455 10.47340 26.51872 
1 1 1  -73    3   17 o   69.337   17.660  2358.91  996.943  2649.17  1526.20  2142.88  1316.68   69.787   23.117   64.151   21.478 5.636246 31.55495 
1 1 1  -73    3   18 o   24.255   11.740 -967.2493  709.542 -1112.2640  1089.74 -860.5268  934.859   31.038   14.903   29.635   14.112 1.403643 20.52464 
1 1 1  -73    3   19 o   40.423   17.517  447.354  1061.42 -1168.2070  1609.10  1691.79  1412.24   36.869   17.805   54.055   21.494 -17.18675 27.91065 
1 1 1  -73    3   20 o   35.084   16.294 -100.8313  1115.54 -2414.4399  1698.76  1653.29  1479.17   32.172   16.050   50.099   21.164 -17.92726 26.56125 
1 1 1  -73    3   21 o   30.441   14.650 -512.8723  1067.08 -1153.5070  1503.28  137.750  1514.95   32.132   15.866   37.136   17.762 -5.004280 23.81657 
1 1 1  -73    5    1 o  345.066   14.187 48970.06  3975.01 43442.20  4618.79 64757.70  7805.63  323.418   17.655  391.048   24.710 -67.63010 30.36943 
1 1 1  -73    5    2 o  281.098   17.592 32854.02  3994.97 32854.02  3994.97   0.0000   0.0000  281.098   17.592  ?   ?  0.000000 17.59177 
1 1 1  -73    5    3 o  533.807   31.963 124188.80 13790.30 124188.80 13790.30   0.0000   0.0000  533.807   31.963  ?   ?  0.000000 31.96346 
1 1 1  -73    5    4 o  442.176   27.824 84196.88  9938.76 84196.88  9938.76   0.0000   0.0000  442.176   27.824  ?   ?  0.000000 27.82398 
1 1 1  -73    5    5 o  231.739   15.387 22313.29  2878.86 19706.13  3300.39 30608.86  5887.14  216.419   18.973  265.245   27.746 -48.82556 33.61245 
1 1 1  -73    5    6 o  222.062   17.031 20657.96  3047.37   0.0000   0.0000 20657.96  3047.37  ?   ?   222.062   17.031 0.000000 17.03076 
1 1 1  -73    5    7 o   95.112   8.5285  3729.34  651.643  3840.74  1155.35  3677.37  789.143   94.945   15.523   94.071   10.511 0.8739853 18.74711 
1 1 1  -73    5    8 o  103.586   9.0064  4430.80  749.978  5535.24  1284.66  3859.77  923.732  114.609   14.102   95.943   12.128 18.66565 18.60044 
1 1 1  -73    5    9 o  201.742   12.185 16923.35  1986.59 16337.52  2985.11 17389.07  2661.56  194.905   19.108  202.644   16.314 -7.738617 25.12506 
1 1 1  -73    5   10 o  183.720   11.616 14055.93  1723.93 13489.39  2598.83 14501.14  2303.77  176.693   18.383  184.844   15.492 -8.151871 24.04089 
1 1 1  -73    5   11 o   45.452   13.417  883.066  529.256  1785.69  903.753  411.932  652.931   63.478   17.135   38.061   14.769 25.41751 22.62169 
1 1 1  -73    5   12 o   27.533   11.902 -35.9239  487.591  358.550  851.862 -228.1348  594.633   40.693   16.515   28.176   12.617 12.51706 20.78292 
1 1 1  -73    5   13 o   72.038   12.528  2248.59  706.210  2835.85  1342.37  2023.85  830.417   77.848   20.828   67.294   15.515 10.55468 25.97203 
1 1 1  -73    5   14 o   35.829   14.696  251.754  683.512 -128.8912  1108.69  485.132  868.117   39.701   17.533   42.038   16.808 -2.337559 24.28815 
1 1 1  -73    5   15 o   80.695   14.530  2918.25  916.983  2487.63  1480.41  3186.30  1168.03   70.869   22.720   82.522   17.943 -11.65350 28.95098 
1 1 1  -73    5   16 o   83.383   15.245  3188.37  994.134  5514.29  1581.92  1670.23  1278.04  107.316   18.842   59.239   21.095 48.07684 28.28437 
1 1 1  -73    5   17 o   40.144   16.415  468.337  849.402 -147.8567  1428.11  805.642  1056.61   42.379   19.213   46.424   18.549 -4.045315 26.70593 
1 1 1  -73    5   18 o   31.949   14.289 -90.4452  760.328 -1147.0010  1499.29  275.351  882.182   36.785   17.614   37.625   16.133 -0.8394890 23.88601 
1 1 1  -73    5   19 o   49.338   19.129  1297.96  1094.53  2626.03  1772.37  479.237  1391.59   61.260   24.167   43.228   19.333 18.03201 30.94858 
1 1 1  -73    5   20 o   48.852   19.028  1482.24  1086.91 -145.1067  1894.25  2281.01  1327.12   40.630   19.545   56.527   21.271 -15.89637 28.88711 
1 1 1  -73    5   21 o   79.753   10.844  3110.14  684.000  4355.84  2239.51  2981.98  718.323   56.098   24.840   76.818   11.901 -20.71920 27.54377 
1 1 1  -73    7    1 o  190.209   27.909 15777.93  4182.09   0.0000   0.0000 15777.93  4182.09  ?   ?   190.209   27.909 0.000000 27.90851 
1 1 1  -73    7    2 o  166.732   31.665 12436.66  4130.13   0.0000   0.0000 12436.66  4130.13  ?   ?   166.732   31.665 0.000000 31.66542 
1 1 1  -73    7    3 o   63.061   11.495  1680.41  566.887  1777.95  575.995 -1330.9110  3200.26   64.939   11.336   63.875   28.877 1.063869 31.02267 
1 1 1  -73    7    4 o  161.158   12.502 10741.56  1623.10  9839.07  1739.90 16794.38  4505.89  153.811   14.088  194.870   29.391 -41.05936 32.59286 
1 1 1  -73    7    5 o  109.881   13.498  5052.95  1178.96  4762.03  1233.05  8152.08  4024.52  106.336   14.672  131.714   36.413 -25.37752 39.25784 
1 1 1  -73    7    6 o  113.836   14.430  5450.48  1303.81  5450.48  1303.81   0.0000   0.0000  113.836   14.430  ?   ?  0.000000 14.42965 
1 1 1  -73    7    7 o  319.258   24.064 44301.61  6192.31   0.0000   0.0000 44301.61  6192.31  ?   ?   319.258   24.064 0.000000 24.06448 
1 1 1  -73    7    8 o  315.408   16.102 41849.70  4109.99 46372.02  6017.12 37894.42  5627.26  326.404   22.848  294.130   23.765 32.27396 32.96678 
1 1 1  -73    7    9 o  231.263   13.404 22366.94  2506.13 21495.94  3756.43 23065.59  3364.31  222.007   21.092  232.188   17.985 -10.18044 27.71905 
1 1 1  -73    7   10 o  111.656   9.7054  5180.59  871.142  4958.76  1527.02  5287.61  1060.68  106.194   18.375  112.201   11.820 -6.006439 21.84825 
1 1 1  -73    7   11 o  334.765   18.989 48909.60  5140.31 45474.26  7462.63 52010.97  7090.62  306.814   30.354  334.834   26.292 -28.02029 40.15744 
1 1 1  -73    7   12 o   30.844   12.525  182.427  490.210  210.505  963.455  172.619  569.427   40.857   17.160   32.561   13.392 8.295601 21.76710 
1 1 1  -73    7   13 o   66.149   13.768  1930.17  715.438  2181.06  1384.64  1838.79  835.627   68.530   21.973   63.856   16.116 4.673695 27.24945 
1 1 1  -73    7   14 o   96.735   12.232  4037.49  939.273  5799.67  1561.45  3038.28  1175.79  113.008   17.589   80.841   18.334 32.16638 25.40715 
1 1 1  -73    7   15 o  127.602   12.700  7084.21  1298.36  7538.98  2008.92  6758.00  1701.46  125.516   20.413  120.837   17.881 4.678947 27.13757 
1 1 1  -73    7   16 f   55.045   17.122  1431.38  846.595  4026.79  1455.54  104.429  1040.75   89.745   20.433   39.582   17.248 50.16265 26.73908 
1 1 1  -73    7   17 o   30.945   14.132 -312.6544  790.873 -854.3972  1406.28 -62.0514  956.462   37.708   17.763   36.139   16.105 1.568867 23.97662 
1 1 1  -73    7   18 o   19.687   8.4808   0.7815  245.868 -2316.0381  1550.30   60.557  249.020   32.772   16.169   21.023   8.7694 11.74899 18.39430 
1 1 1  -73    7   19 o   29.870   10.901  362.823  343.821 -2378.4619  1720.31  476.877  350.901   33.436   16.592   32.734   11.087 0.7022171 19.95597 
1 1 1  -73    7   20 o   36.081   12.668  634.257  459.425 -1370.1350  1917.06  756.388  473.215   36.143   17.860   38.730   12.874 -2.587017 22.01647 
1 1 1  -73    9    1 o   69.916   27.342  1414.53  2251.21   0.0000   0.0000  1414.53  2251.21  ?   ?    69.916   27.342 0.000000 27.34206 
1 1 1  -73    9    2 o   57.572   26.058 -1164.1420  2614.89   0.0000   0.0000 -1164.1420  2614.89  ?   ?    57.572   26.058 0.000000 26.05839 
1 1 1  -73    9    3 o   65.570   28.554 -133.7201  2848.29   0.0000   0.0000 -133.7201  2848.29  ?   ?    65.570   28.554 0.000000 28.55373 
1 1 1  -73    9    4 f  116.525   36.506  6298.00  3840.82   0.0000   0.0000  6298.00  3840.82  ?   ?   116.525   36.506 0.000000 36.50592 
1 1 1  -73    9    5 o   55.726   14.333  1335.36  652.193  1326.81  662.534  1603.09  3705.78   55.558   14.524   82.603   34.089 -27.04425 37.05428 
1 1 1  -73    9    6 o  124.736   14.635  6550.94  1454.10  6386.47  1507.43  8752.70  5515.43  122.890   15.449  131.819   43.959 -8.928627 46.59438 
1 1 1  -73    9    7 o   71.931   15.373  2240.69  870.618  2240.69  870.618   0.0000   0.0000   71.931   15.373  ?   ?  0.000000 15.37271 
1 1 1  -73    9    8 o  223.722   17.425 21316.45  3140.40   0.0000   0.0000 21316.45  3140.40  ?   ?   223.722   17.425 0.000000 17.42518 
1 1 1  -73    9    9 o   63.533   9.7881  1701.20  488.724  2106.44  1045.99  1588.02  552.773   68.931   18.360   60.922   11.598 8.008747 21.71649 
1 1 1  -73    9   10 o  223.223   13.723 21012.13  2475.24 18202.76  3783.78 23113.74  3272.62  200.524   23.697  231.483   17.542 -30.95911 29.48360 
1 1 1  -73    9   11 o  130.352   10.345  7098.93  1085.93  7442.46  1866.23  6923.07  1335.26  129.841   18.202  127.658   13.066 2.182579 22.40594 
1 1 1  -73    9   12 o  147.579   11.006  9157.48  1309.33  9886.48  2186.67  8750.02  1634.78  148.937   18.479  142.569   14.315 6.367874 23.37508 
1 1 1  -73    9   13 o   43.194   14.066  786.546  565.933  142.709  1162.54  986.514  647.885   43.047   18.491   47.694   15.002 -4.647533 23.81124 
1 1 1  -73    9   14 o  109.202   12.325  5152.11  1073.70  4170.75  1787.65  5705.92  1342.92   90.957   23.895  113.455   14.941 -22.49799 28.18192 
1 1 1  -73    9   15 o   50.799   10.261  1129.06  408.683  3983.99  1614.92  933.714  422.434   88.541   22.436   45.851   11.396 42.68992 25.16397 
1 1 1  -73    9   16 f   26.715   10.014  240.189  293.543 -3010.6631  1644.29  347.206  298.335   33.075   16.380   29.570   10.218 3.505379 19.30533 
1 1 1  -73    9   17 o   21.861   9.3592   16.025  296.038  262.124  1539.05   6.5701  301.671   45.596   20.366   21.880   9.4097 23.71602 22.43451 
1 1 1  -73    9   18 o   17.808   8.0459 -107.9396  248.005 -929.9518  1670.24 -89.4075  250.786   38.962   18.639   18.220   8.1735 20.74195 20.35234 
1 1 1  -73    9   19 o   20.237   8.8762 -22.2068  279.679 -1291.6899  1857.29   7.2478  282.905   37.515   18.344   20.859   9.0412 16.65568 20.45060 
1 1 1  -73    9   20 o   27.535   10.949  273.898  366.447  1018.63  2089.48  250.265  372.216   43.927   20.968   27.174   10.956 16.75311 23.65759 
1 1 1  -73   11    1 o  231.852   31.787 24213.62  5826.46   0.0000   0.0000 24213.62  5826.46  ?   ?   231.852   31.787 0.000000 31.78650 
1 1 1  -73   11    2 o  302.803   34.931 41981.52  8430.79   0.0000   0.0000 41981.52  8430.79  ?   ?   302.803   34.931 0.000000 34.93090 
1 1 1  -73   11    3 f  242.820   34.792 27210.97  6663.67   0.0000   0.0000 27210.97  6663.67  ?   ?   242.820   34.792 0.000000 34.79237 
1 1 1  -73   11    4 o  200.041   36.988 19002.30  5786.58   0.0000   0.0000 19002.30  5786.58  ?   ?   200.041   36.988 0.000000 36.98825 
1 1 1  -73   11    5 o   87.177   35.377  2295.15  3908.55   0.0000   0.0000  2295.15  3908.55  ?   ?    87.177   35.377 0.000000 35.37732 
1 1 1  -73   11    6 o  265.485   17.712 29884.11  3796.23 21199.18  4371.80 56506.80  7654.26  218.767   25.064  356.428   26.641 -137.6614 36.57758 
1 1 1  -73   11    7 o   66.305   18.247  1929.58  1013.33  1929.58  1013.33   0.0000   0.0000   66.305   18.247  ?   ?  0.000000 18.24734 
1 1 1  -73   11    8 o  128.913   10.074  6895.58  1046.14  5005.66  1879.17  7744.34  1259.32  105.104   22.685  136.234   11.492 -31.13032 25.42946 
1 1 1  -73   11    9 o  167.643   11.561 11735.61  1564.04  9377.99  2592.85 13084.14  1960.97  144.031   22.940  176.027   13.831 -31.99600 26.78743 
1 1 1  -73   11   10 o   83.696   9.3938  2929.61  627.364  1037.35  1346.70  3454.08  708.996   55.317   21.282   90.861   9.7633 -35.54388 23.41456 
1 1 1  -73   11   11 o   55.699   11.742  1345.98  514.299  1464.22  1220.61  1320.45  567.096   59.043   20.653   54.908   12.933 4.134823 24.36802 
1 1 1  -73   11   12 o  116.049   10.707  5682.50  997.527  6400.25  1831.18  5379.63  1189.51  118.268   19.766  111.723   13.379 6.545692 23.86841 
1 1 1  -73   11   13 o   71.128   8.0414  2121.52  456.262  604.527  1374.34  2309.42  483.696   49.899   20.690   74.212   8.1620 -24.31338 22.24151 
1 1 1  -73   11   14 o  101.878   7.9367  4339.33  651.355  3363.34  1757.96  4494.63  701.267   80.540   24.610  103.511   8.4166 -22.97031 26.00988 
1 1 1  -73   11   15 o   58.056   9.1556  1451.34  417.289  854.123  1515.21  1500.35  434.075   51.942   21.646   58.968   9.3800 -7.026104 23.59104 
1 1 1  -73   11   16 f  105.908   8.6066  4771.48  733.714  2994.47  2041.83  5034.96  786.229   71.031   26.452  108.582   8.9988 -37.55090 27.94069 
1 1 1  -73   11   17 o  141.723   9.7082  8732.70  1110.44  8002.16  2587.01  8897.70  1229.45  109.768   28.702  142.023   10.741 -32.25526 30.64545 
1 1 1  -73   11   18 o   71.522   9.7032  2285.10  548.950  2725.53  1902.39  2245.10  573.338   61.681   24.803   70.477   10.325 -8.796410 26.86654 
1 1 1  -73   11   19 o   30.551   10.951  406.270  344.970  211.459  1814.48  413.575  351.379   41.973   19.893   30.787   11.051 11.18608 22.75650 
1 1 1  -73   11   20 o   28.135   12.041  206.219  489.738  235.084  2023.99  204.423  504.736   39.530   19.290   28.346   12.180 11.18411 22.81363 
1 1 1  -73   13    1 o  137.196   34.074  8903.92  3778.57   0.0000   0.0000  8903.92  3778.57  ?   ?   137.196   34.074 0.000000 34.07381 
1 1 1  -73   13    2 o  119.083   36.278  6781.08  3823.95   0.0000   0.0000  6781.08  3823.95  ?   ?   119.083   36.278 0.000000 36.27756 
1 1 1  -73   13    3 o  224.788   37.080 24150.86  6531.91   0.0000   0.0000 24150.86  6531.91  ?   ?   224.788   37.080 0.000000 37.08033 
1 1 1  -73   13    4 o  189.018   40.336 17830.58  6002.00   0.0000   0.0000 17830.58  6002.00  ?   ?   189.018   40.336 0.000000 40.33576 
1 1 1  -73   13    5 o   69.324   31.452 -1113.7740  3836.21   0.0000   0.0000 -1113.7740  3836.21  ?   ?    69.324   31.452 0.000000 31.45222 
1 1 1  -73   13    6 o   47.830   17.893  766.019  936.417  747.195  953.685  1271.78  4943.29   47.796   18.022   86.686   37.683 -38.88976 41.77089 
1 1 1  -73   13    7 o   30.167   13.701 -400.2607  730.565 -400.2607  730.565   0.0000   0.0000   30.167   13.701  ?   ?  0.000000 13.70150 
1 1 1  -73   13    8 o   93.916   19.848  3954.34  1466.19  3954.34  1466.19   0.0000   0.0000   93.916   19.848  ?   ?  0.000000 19.84842 
1 1 1  -73   13    9 o  147.875   11.574  9168.05  1378.56  5621.69  2497.64 10721.75  1653.19  107.349   28.265  159.397   12.883 -52.04761 31.06302 
1 1 1  -73   13   10 o   84.992   10.347  3045.25  699.327  1599.90  1600.72  3386.20  777.447   63.208   23.444   89.505   10.924 -26.29617 25.86448 
1 1 1  -73   13   11 o  105.982   10.732  4741.13  910.825  1722.72  1945.74  5588.16  1030.73   65.982   25.526  114.960   11.184 -48.97848 27.86839 
1 1 1  -73   13   12 o   63.855   7.8210  1709.82  397.033 -359.3207  1486.74  1868.71  411.995   43.998   19.806   66.817   7.7370 -22.81977 21.26321 
1 1 1  -73   13   13 o   67.206   8.0900  1901.47  432.597  1373.19  1622.48  1941.90  448.845   58.953   23.166   67.857   8.3207 -8.903980 24.61467 
1 1 1  -73   13   14 o   73.609   8.2448  2288.81  484.310 -1653.7200  1789.44  2600.43  503.086   40.408   19.320   78.599   7.9942 -38.19100 20.90891 
1 1 1  -73   13   15 o  108.935   8.6243  5029.46  756.597  1905.78  2265.49  5421.59  802.683   63.344   26.439  113.019   8.8166 -49.67475 27.87016 
1 1 1  -73   13   16 o   39.889   11.859  720.013  412.311 -897.4542  1677.69  823.986  425.357   40.633   19.220   42.482   11.872 -1.849056 22.59080 
1 1 1  -73   13   17 o   19.037   9.0112 -377.8152  370.013  1162.84  1740.36 -450.7524  378.670   51.323   22.335   18.640   8.9057 32.68227 24.04484 
1 1 1  -73   13   18 o   35.997   12.655  594.648  458.568  321.698  1992.21  609.919  471.221   44.921   21.155   36.386   12.825 8.534431 24.73869 
1 1 1  -73   13   19 o   83.907   13.301  3574.92  875.971  984.264  2826.27  3850.23  921.341   45.548   22.346   86.856   13.503 -41.30737 26.10850 
1 1 1  -73   15    1 o  178.531   35.306 15276.56  4936.69   0.0000   0.0000 15276.56  4936.69  ?   ?   178.531   35.306 0.000000 35.30608 
1 1 1  -73   15    2 o  146.619   38.684 10779.22  4671.98   0.0000   0.0000 10779.22  4671.98  ?   ?   146.619   38.684 0.000000 38.68351 
1 1 1  -73   15    3 o  134.435   41.532  9376.33  4990.87   0.0000   0.0000  9376.33  4990.87  ?   ?   134.435   41.532 0.000000 41.53201 
1 1 1  -73   15    4 o  244.909   42.168 30810.62  8082.96   0.0000   0.0000 30810.62  8082.96  ?   ?   244.909   42.168 0.000000 42.16827 
1 1 1  -73   15    5 o  183.245   45.254 18415.64  6693.45   0.0000   0.0000 18415.64  6693.45  ?   ?   183.245   45.254 0.000000 45.25443 
1 1 1  -73   15    6 o   89.146   38.969  1681.38  5350.38   0.0000   0.0000  1681.38  5350.38  ?   ?    89.146   38.969 0.000000 38.96866 
1 1 1  -73   15    7 f  145.090   23.208  9548.68  2641.98  9925.12  2847.67  7221.69  7080.05  146.964   24.743  114.821   47.221 32.14335 53.31076 
1 1 1  -73   15    8 o   52.664   20.196  928.180  1210.42  928.180  1210.42   0.0000   0.0000   52.664   20.196  ?   ?  0.000000 20.19647 
1 1 1  -73   15   10 o   75.123   10.584  2399.14  627.686  2211.05  1752.59  2426.82  672.282   70.004   24.727   75.321   11.345 -5.316681 27.20504 
1 1 1  -73   15   11 o   57.206   7.8654  1376.69  355.677 -741.1710  1623.16  1483.51  364.536   43.697   20.064   59.453   7.7346 -15.75616 21.50290 
1 1 1  -73   15   12 o   94.572   7.6083  3725.64  579.287  2845.71  2198.43  3791.29  600.510   75.193   27.546   95.337   7.8266 -20.14359 28.63659 
1 1 1  -73   15   13 o   73.837   7.9849  2294.66  471.097  1123.06  1998.90  2363.57  484.752   58.620   24.674   74.912   8.0984 -16.29210 25.96910 
1 1 1  -73   15   14 o   26.236   10.249  194.158  316.036 -3358.2080  1921.15  292.964  320.401   35.925   17.776   28.629   10.512 7.296232 20.65118 
1 1 1  -73   15   15 o   32.070   11.095  419.428  351.772 -892.8334  1865.07  467.832  358.201   43.152   20.366   33.354   11.203 9.797409 23.24410 
1 1 1  -73   15   16 o   42.234   11.548  822.088  407.369  1454.59  2055.54  796.230  415.612   55.424   24.193   41.543   11.779 13.88118 26.90808 
1 1 1  -73   15   17 o   46.833   12.086  1047.63  462.689  498.514  2625.36  1065.23  470.046   49.567   23.617   47.179   12.185 2.387714 26.57489 
1 1 1  -73   15   18 o   49.697   14.058  1290.23  592.704 -2457.3650  2526.72  1508.44  609.716   38.214   19.140   54.043   13.836 -15.82908 23.61722 
1 1 1  -73   17    1 o  220.504   37.265 23990.12  6434.29   0.0000   0.0000 23990.12  6434.29  ?   ?   220.504   37.265 0.000000 37.26540 
1 1 1  -73   17    2 o  312.049   42.515 50439.68 10491.74   0.0000   0.0000 50439.68 10491.74  ?   ?   312.049   42.515 0.000000 42.51488 
1 1 1  -73   17    3 o  117.497   42.016  7219.61  5075.12   0.0000   0.0000  7219.61  5075.12  ?   ?   117.497   42.016 0.000000 42.01580 
1 1 1  -73   17    4 o   95.724   39.836  3413.85  5121.85   0.0000   0.0000  3413.85  5121.85  ?   ?    95.724   39.836 0.000000 39.83647 
1 1 1  -73   17    5 o   91.854   39.315  2667.99  5221.28   0.0000   0.0000  2667.99  5221.28  ?   ?    91.854   39.315 0.000000 39.31469 
1 1 1  -73   17    6 o   62.867   30.435 -5255.6621  4774.75   0.0000   0.0000 -5255.6621  4774.75  ?   ?    62.867   30.435 0.000000 30.43456 
1 1 1  -73   17    7 o   61.551   20.450  1636.89  1194.02  1810.90  1213.43 -3671.0071  6701.79   64.066   20.573   77.834   37.262 -13.76865 42.56385 
1 1 1  -73   17    8 o   69.736   24.615  2145.11  1736.56  1832.60  1800.85  6288.68  6557.41   66.774   24.847  104.910   44.452 -38.13636 50.92524 
1 1 1  -73   17    9 o  229.164   18.548 23346.86  3421.64   0.0000   0.0000 23346.86  3421.64  ?   ?   229.164   18.548 0.000000 18.54772 
1 1 1  -73   17   10 o   56.236   7.5282  1327.38  335.124 -1314.6140  1806.39  1421.56  341.044   43.291   20.310   58.265   7.3739 -14.97479 21.60725 
1 1 1  -73   17   11 o   98.617   7.6854  4050.55  610.544  3418.12  2344.52  4096.56  632.362   80.603   28.585   99.100   7.9251 -18.49699 29.66369 
1 1 1  -73   17   12 o   29.150   10.430  314.632  312.772  1215.86  1753.47  285.016  317.870   57.799   23.604   28.516   10.470 29.28302 25.82155 
1 1 1  -73   17   13 o  124.725   8.5216  6557.40  857.843  4579.04  2862.50  6752.61  899.169   84.535   31.352  126.414   8.8153 -41.87879 32.56737 
1 1 1  -73   17   14 o   55.371   9.2190  1333.82  399.905  656.404  2209.69  1356.76  406.619   54.247   24.304   55.825   9.2977 -1.578148 26.02149 
1 1 1  -73   17   15 o   73.715   9.0864  2360.69  532.349  3398.63  2833.31  2322.71  542.002   68.497   29.130   72.967   9.3643 -4.470642 30.59791 
1 1 1  -73   17   16 o   29.401   11.351  302.588  384.195 -62.6416  2464.10  311.688  388.952   47.808   22.807   29.671   11.431 18.13718 25.51101 
1 1 1  -73   17   17 o   53.071   14.852  1478.11  665.248  1722.86  2838.26  1463.88  684.310   51.426   24.517   52.536   15.185 -1.110832 28.83879 
1 1 1  -73   17   18 o   65.509   14.475  2307.60  749.433  5917.22  2984.16  2064.62  774.247   60.507   27.563   60.367   15.662 0.1408081 31.70172 
1 1 1  -73   19    1 o  106.308   38.718  5665.50  4334.23   0.0000   0.0000  5665.50  4334.23  ?   ?   106.308   38.718 0.000000 38.71841 
1 1 1  -73   19    2 o   94.089   38.325  3592.29  4607.94   0.0000   0.0000  3592.29  4607.94  ?   ?    94.089   38.325 0.000000 38.32489 
1 1 1  -73   19    3 o  167.223   46.647 16556.42  6573.34   0.0000   0.0000 16556.42  6573.34  ?   ?   167.223   46.647 0.000000 46.64747 
1 1 1  -73   19    4 o   84.201   37.873  743.400  5423.65   0.0000   0.0000  743.400  5423.65  ?   ?    84.201   37.873 0.000000 37.87271 
1 1 1  -73   19    5 o  133.465   49.384 12006.08  7094.27   0.0000   0.0000 12006.08  7094.27  ?   ?   133.465   49.384 0.000000 49.38437 
1 1 1  -73   19    6 o  168.692   55.356 21654.47  8759.21   0.0000   0.0000 21654.47  8759.21  ?   ?   168.692   55.356 0.000000 55.35648 
1 1 1  -73   19    7 o   68.920   33.917 -7468.1582  6676.59   0.0000   0.0000 -7468.1582  6676.59  ?   ?    68.920   33.917 0.000000 33.91740 
1 1 1  -73   19    8 o   49.479   9.6654  1052.03  374.383  1026.32  1736.80  1053.28  383.397   58.022   23.570   49.456   9.8930 8.565643 25.56159 
1 1 1  -73   19    9 o   77.986   10.734  2598.25  661.713   0.0000   0.0000  2598.25  661.713  ?   ?    77.986   10.734 0.000000 10.73450 
1 1 1  -73   19   10 o  103.876   11.291  4620.62  936.955  3146.66  2913.95  4790.58  989.502   78.314   30.958  105.570   11.742 -27.25665 33.11063 
1 1 1  -73   19   11 o   28.497   9.5174  325.977  258.524 -990.4708  2325.13  342.456  260.137   49.687   23.225   29.015   9.5406 20.67139 25.10831 
1 1 1  -73   19   12 o   41.394   10.087  756.133  335.922  2035.70  2505.11  732.703  338.983   66.057   27.704   40.722   10.257 25.33518 29.54165 
1 1 1  -73   19   13 o   91.223   8.4859  3540.45  621.342 -613.6005  2821.31  3752.20  636.982   52.745   24.941   93.954   8.4398 -41.20895 26.33072 
1 1 1  -73   19   14 o   23.611   9.9393   64.336  324.412  3790.08  2550.33   3.0588  327.069   72.581   28.877   22.621   9.7629 49.96075 30.48257 
1 1 1  -73   19   15 o   57.766   14.879  1661.57  702.147   43.555  3031.75  1753.28  721.771   51.070   24.607   59.300   14.984 -8.229328 28.81002 
1 1 1  -73   19   16 o   25.830   11.670 -115.0632  521.645 -2469.6741  2650.11 -20.1554  532.054   40.202   20.054   27.146   12.059 13.05571 23.40110 
1 1 1  -73   19   17 o   38.660   14.999  750.067  673.279 -251.5749  3506.44  788.410  686.045   44.310   22.243   39.281   15.168 5.028877 26.92270 
1 1 1  -73   21    1 o  242.043   42.893 32697.05  8121.21   0.0000   0.0000 32697.05  8121.21  ?   ?   242.043   42.893 0.000000 42.89298 
1 1 1  -73   21    2 o  244.872   49.271 36715.71  9457.19   0.0000   0.0000 36715.71  9457.19  ?   ?   244.872   49.271 0.000000 49.27096 
1 1 1  -73   21    3 o  133.139   47.754 11817.46  6560.60   0.0000   0.0000 11817.46  6560.60  ?   ?   133.139   47.754 0.000000 47.75352 
1 1 1  -73   21    4 o   99.600   43.399  4810.93  6588.58   0.0000   0.0000  4810.93  6588.58  ?   ?    99.600   43.399 0.000000 43.39879 
1 1 1  -73   21    5 o  109.651   47.101  7989.78  7542.88   0.0000   0.0000  7989.78  7542.88  ?   ?   109.651   47.101 0.000000 47.10130 
1 1 1  -73   21    6 o  101.420   44.616  6265.72  7112.41   0.0000   0.0000  6265.72  7112.41  ?   ?   101.420   44.616 0.000000 44.61611 
1 1 1  -73   21    7 o  106.410   47.257  8933.89  8164.59   0.0000   0.0000  8933.89  8164.59  ?   ?   106.410   47.257 0.000000 47.25739 
1 1 1  -73   21    8 o   66.290   10.416  1886.39  542.149  677.504  2931.12  1929.21  551.668   64.128   28.405   67.033   10.479 -2.904434 30.27657 
1 1 1  -73   21    9 o   96.302   11.700  4001.97  896.113   0.0000   0.0000  4001.97  896.113  ?   ?    96.302   11.700 0.000000 11.70045 
1 1 1  -73   21   10 o   62.989   12.674  1769.72  625.778 -3763.2151  3104.02  2004.13  638.896   47.883   23.476   67.365   12.126 -19.48238 26.42297 
1 1 1  -73   21   11 o   65.903   31.085  641.252  4332.13  215.465  8010.99  817.230  5150.13   72.887   36.106   68.743   32.843 4.143921 48.80908 
1 1 1  -73   21   12 o   44.300   10.180  874.101  358.475  3260.64  3009.30  839.748  361.045   71.207   30.139   43.352   10.392 27.85518 31.88073 
1 1 1  -73   21   13 o   31.896   11.238  414.779  361.799 -385.0992  3153.96  425.444  364.204   53.016   25.428   32.183   11.280 20.83267 27.81794 
1 1 1  -73   21   14 o   32.847   13.463  309.006  573.085  644.065  3347.31  298.889  581.673   53.805   25.907   32.838   13.523 20.96765 29.22425 
1 1 1  -73   21   15 o   62.623   16.405  2107.76  844.141 -325.9158  3772.57  2236.03  866.101   48.984   24.353   64.512   16.476 -15.52781 29.40247 
1 1 1  -73   21   16 o   91.257   16.623  4620.62  1186.36 12000.98  4354.23  4028.79  1233.01   71.599   32.870   81.480   18.989 -9.881248 37.96047 
1 1 1  -73   23    1 o  131.979   44.037 11276.98  5534.86   0.0000   0.0000 11276.98  5534.86  ?   ?   131.979   44.037 0.000000 44.03735 
1 1 1  -73   23    2 o  116.356   46.161  9432.37  6499.83   0.0000   0.0000  9432.37  6499.83  ?   ?   116.356   46.161 0.000000 46.16097 
1 1 1  -73   23    3 o   79.718   37.105   91.595  5835.69   0.0000   0.0000   91.595  5835.69  ?   ?    79.718   37.105 0.000000 37.10508 
1 1 1  -73   23    4 o   91.787   40.305  4186.26  5780.88   0.0000   0.0000  4186.26  5780.88  ?   ?    91.787   40.305 0.000000 40.30469 
1 1 1  -73   23    5 o   85.588   39.103  2628.53  6062.12   0.0000   0.0000  2628.53  6062.12  ?   ?    85.588   39.103 0.000000 39.10270 
1 1 1  -73   23    6 o  107.621   46.561 10131.70  7475.47   0.0000   0.0000 10131.70  7475.47  ?   ?   107.621   46.561 0.000000 46.56117 
1 1 1  -73   23    7 o   99.145   11.008  4207.77  871.190   0.0000   0.0000  4207.77  871.190  ?   ?    99.145   11.008 0.000000 11.00769 
1 1 1  -73   23    8 o   24.903   9.4035  196.134  259.867 -3789.1450  3207.78  222.462  260.724   48.988   23.986   25.616   9.4695 23.37211 25.78748 
1 1 1  -73   23    9 o   53.614   13.446  1308.02  584.315   0.0000   0.0000  1308.02  584.315  ?   ?    53.614   13.446 0.000000 13.44627 
1 1 1  -73   23   10 o   26.822   11.691 -26.8611  478.440 -1207.6870  2939.88   5.2636  484.905   52.185   24.899   27.429   11.863 24.75606 27.58095 
1 1 1  -73   23   11 o   30.566   12.747  171.341  525.928  371.849  3870.32  167.569  530.852   59.863   28.564   30.615   12.790 29.24760 31.29706 
1 1 1  -73   23   12 o   16.819   8.2691 -757.3962  393.723  3799.66  4148.45 -798.8176  395.508   67.289   31.308   16.607   8.1886 50.68212 32.36123 
1 1 1  -73   23   13 o   63.153   16.404  2066.15  848.758  6183.98  4360.26  1903.98  865.310   69.127   32.141   60.067   16.984 9.059761 36.35295 
1 1 1  -73   23   14 o   56.429   17.213  1779.57  860.460  5744.88  4579.35  1634.45  876.064   60.749   29.502   53.811   17.499 6.938091 34.30166 
1 1 1  -73   25    1 o   65.933   31.693 -2785.7729  4959.30   0.0000   0.0000 -2785.7729  4959.30  ?   ?    65.933   31.693 0.000000 31.69311 
1 1 1  -73   25    2 o  118.125   46.310 11455.87  6470.27   0.0000   0.0000 11455.87  6470.27  ?   ?   118.125   46.310 0.000000 46.30988 
1 1 1  -73   25    3 o  153.477   55.569 24112.39  8908.66   0.0000   0.0000 24112.39  8908.66  ?   ?   153.477   55.569 0.000000 55.56873 
1 1 1  -73   25    4 o  119.946   50.176 15443.91  8185.69   0.0000   0.0000 15443.91  8185.69  ?   ?   119.946   50.176 0.000000 50.17623 
1 1 1  -73   25    5 o   99.705   46.631 11129.74  9395.05   0.0000   0.0000 11129.74  9395.05  ?   ?    99.705   46.631 0.000000 46.63084 
1 1 1  -73   25    6 o  121.049   11.934  6347.34  1157.72   0.0000   0.0000  6347.34  1157.72  ?   ?   121.049   11.934 0.000000 11.93419 
1 1 1  -73   25    7 o  117.840   12.954  6122.96  1218.97   0.0000   0.0000  6122.96  1218.97  ?   ?   117.840   12.954 0.000000 12.95356 
1 1 1  -73   25    8 o   47.559   13.432  1034.14  541.520 -3599.9600  5844.75  1074.27  543.860   61.436   30.504   48.441   13.383 12.99477 33.31054 
1 1 1  -73   25    9 o   77.570   14.800  2814.03  898.141 -1199.1639  5842.36  2911.17  908.945   62.840   31.076   78.986   14.714 -16.14523 34.38380 
1 1 1  -73   25   10 o   89.845   15.263  3846.04  1073.63  3980.61  6371.58  3842.11  1089.20   68.578   33.625   89.562   15.541 -20.98402 37.04282 
1 1 1  -73   25   11 o   60.359   29.814  1722.05  5322.39  1722.05  5322.39   0.0000   0.0000   60.359   29.814  ?   ?  0.000000 29.81366 
1 1 1  -73   25   12 o   84.243   16.991  3710.43  1122.15  9491.45  4956.58  3398.12  1152.06   73.457   34.192   78.970   18.321 -5.513039 38.79173 
1 1 1  -73   25   13 o   35.680   15.417  350.759  817.540 12824.79  6144.58  125.959  824.874   65.746   32.391   33.538   14.950 32.20817 35.67437 
1 1 1  -73   27    1 o   93.577   42.696  8060.98  7197.18   0.0000   0.0000  8060.98  7197.18  ?   ?    93.577   42.696 0.000000 42.69574 
1 1 1  -73   27    2 o   77.392   37.241  1676.59  6890.71   0.0000   0.0000  1676.59  6890.71  ?   ?    77.392   37.241 0.000000 37.24070 
1 1 1  -73   27    6 o   35.991   11.389  562.901  372.915   0.0000   0.0000  562.901  372.915  ?   ?    35.991   11.389 0.000000 11.38877 
1 1 1  -73   27    7 o   43.242   13.573  853.398  530.665   0.0000   0.0000  853.398  530.665  ?   ?    43.242   13.573 0.000000 13.57305 
1 1 1  -73   27    8 o   90.293   15.290  3888.22  1080.97   0.0000   0.0000  3888.22  1080.97  ?   ?    90.293   15.290 0.000000 15.28984 
1 1 1  -73   27    9 o   68.631   16.755  2394.77  925.562   0.0000   0.0000  2394.77  925.562  ?   ?    68.631   16.755 0.000000 16.75510 
1 1 1  -73   27   10 f   29.710   13.318 -75.0537  664.511   0.0000   0.0000 -75.0537  664.511  ?   ?    29.710   13.318 0.000000 13.31815 
1 1 1  -73   27   11 f   55.241   18.000  1739.23  926.735   0.0000   0.0000  1739.23  926.735  ?   ?    55.241   18.000 0.000000 17.99997 
1 1 1  -73   29    4 o   65.022   32.802 -1196.1470  8139.37   0.0000   0.0000 -1196.1470  8139.37  ?   ?    65.022   32.802 0.000000 32.80160 
1 1 1  -73   29    5 o   65.028   33.295 -1592.4890 11031.76   0.0000   0.0000 -1592.4890 11031.76  ?   ?    65.028   33.295 0.000000 33.29535 
1 1 1  -73   29    6 o   55.279   28.358 -10161.0898  8411.98   0.0000   0.0000 -10161.0898  8411.98  ?   ?    55.279   28.358 0.000000 28.35783 
1 1 1  -73   29    7 o   59.921   30.801 -1485.0670 10836.80   0.0000   0.0000 -1485.0670 10836.80  ?   ?    59.921   30.801 0.000000 30.80116 
1 1 1  -72    0    1 o   60.279   28.770  2212.82  1613.54  2212.82  1613.54   0.0000   0.0000   60.279   28.770   60.279   28.770 0.000000 0.000000 
1 1 1  -72    0    2 o  176.261   27.332 13728.65  3631.60 13728.65  3631.60   0.0000   0.0000  176.261   27.332  176.261   27.332 0.000000 0.000000 
1 1 1  -72    0    3 o   74.472   9.4202  2362.92  544.822  2362.92  544.822   0.0000   0.0000   74.472   9.4202   74.472   9.4202 0.000000 0.000000 
1 1 1  -72    0    4 o  165.108   13.368 11341.30  1765.07   0.0000   0.0000 11341.30  1765.07  165.108   13.368  165.108   13.368 -0.000000 0.000000 
1 1 1  -72    0    5 o  287.864   21.548 34684.72  4971.57 34684.72  4971.57   0.0000   0.0000  287.864   21.548  287.864   21.548 0.000000 0.000000 
1 1 1  -72    0    6 o  125.045   12.785  6578.45  1267.02  6578.45  1267.02   0.0000   0.0000  125.045   12.785  125.045   12.785 0.000000 0.000000 
1 1 1  -72    0    7 o  129.457   13.510  7067.73  1384.66  7067.73  1384.66   0.0000   0.0000  129.457   13.510  129.457   13.510 0.000000 0.000000 
1 1 1  -72    0    8 f   45.789   17.895  1177.45  635.910  1177.45  635.910   0.0000   0.0000   45.789   17.895   45.789   17.895 0.000000 0.000000 
1 1 1  -72    0    9 o   83.478   15.155  3118.86  926.873  3118.86  926.873   0.0000   0.0000   83.478   15.155   83.478   15.155 0.000000 0.000000 
1 1 1  -72    0   10 o  124.676   15.275  6663.13  1484.16   0.0000   0.0000  6663.13  1484.16  124.676   15.275  124.676   15.275 -0.000000 0.000000 
1 1 1  -72    0   11 o   20.347   13.880 -416.8770  711.435   0.0000   0.0000 -416.8770  711.435   20.347   13.880   20.347   13.880 -0.000000 0.000000 
1 1 1  -72    0   12 o   15.405   11.053 -1070.8940  656.119 -1070.8940  656.119   0.0000   0.0000   15.405   11.053   15.405   11.053 0.000000 0.000000 
1 1 1  -72    0   13 o  121.149   17.214  6431.63  1594.54  6431.63  1594.54   0.0000   0.0000  121.149   17.214  121.149   17.214 0.000000 0.000000 
1 1 1  -72    0   14 o   42.428   22.536  1109.29  1047.31   0.0000   0.0000  1109.29  1047.31   42.428   22.536   42.428   22.536 -0.000000 0.000000 
1 1 1  -72    0   15 o   57.476   25.472  2029.57  1253.98   0.0000   0.0000  2029.57  1253.98   57.476   25.472   57.476   25.472 -0.000000 0.000000 
1 1 1  -72    0   16 o   12.711   9.3649 -2068.3401  695.093 -2068.3401  695.093   0.0000   0.0000   12.711   9.3649   12.711   9.3649 0.000000 0.000000 
1 1 1  -72    0   17 o   30.432   19.835 -10.0467  1191.10   0.0000   0.0000 -10.0467  1191.10   30.432   19.835   30.432   19.835 -0.000000 0.000000 
1 1 1  -72    0   18 o   27.175   18.403 -475.6798  1204.36   0.0000   0.0000 -475.6798  1204.36   27.175   18.403   27.175   18.403 -0.000000 0.000000 
1 1 1  -72    0   19 f   27.582   18.267 -139.8431  1073.78 -139.8431  1073.78   0.0000   0.0000   27.582   18.267   27.582   18.267 0.000000 0.000000 
1 1 1  -72    0   20 o   30.602   19.902  113.976  1189.86   0.0000   0.0000  113.976  1189.86   30.602   19.902   30.602   19.902 -0.000000 0.000000 
1 1 1  -72    0   21 o   43.854   26.808  1303.91  1815.91  1303.91  1815.91   0.0000   0.0000   43.854   26.808   43.854   26.808 0.000000 0.000000 
1 1 1  -72    2    1 o  227.063   17.309 21379.38  3167.17 20203.69  4363.08 22688.95  4604.80  218.202   25.082  231.449   24.894 -13.24779 35.33902 
1 1 1  -72    2    2 o  256.584   15.593 27173.98  3233.23 29030.13  3754.50 21846.87  6360.49  264.657   17.571  221.802   36.594 42.85555 40.59367 
1 1 1  -72    2    3 o  491.574   24.923 101772.90  9915.47 103778.30 11898.14 97213.94 17939.24  492.556   29.891  457.717   49.032 34.83951 57.42501 
1 1 1  -72    2    4 o  317.939   22.075 42430.38  5663.48 25212.76 10702.99 49126.09  6674.47  223.117   58.398  341.077   24.259 -117.9602 63.23657 
1 1 1  -72    2    5 o  154.345   8.4573  9746.02  1055.86  9833.13  1626.93  9682.63  1387.84  154.214   13.117  153.395   11.220 0.8190460 17.26170 
1 1 1  -72    2    6 o  200.972   11.332 16605.53  1841.71 17028.33  2676.69 16225.41  2537.98  202.144   16.451  197.439   15.968 4.705322 22.92599 
1 1 1  -72    2    7 f  380.720   19.542 60919.31  6020.78 62078.20  8581.50 59795.82  8449.36  377.511   28.200  370.377   28.310 7.134308 39.95851 
1 1 1  -72    2    8 o  416.955   21.576 74062.02  7279.54 75677.75 10355.82 72483.80 10234.88  411.117   31.257  401.880   31.621 9.236389 44.46186 
1 1 1  -72    2    9 o  109.028   9.4334  4912.57  826.886  4601.20  1262.52  5146.46  1094.24  103.961   15.424  110.933   12.358 -6.972160 19.76447 
1 1 1  -72    2   10 o  112.257   10.112  5230.72  911.770  6205.26  1391.84  4498.14  1206.75  121.062   14.445  102.680   14.910 18.38178 20.75937 
1 1 1  -72    2   11 o   19.680   9.3932 -551.3744  419.116  505.118  692.607 -1161.7469  526.443   40.290   15.319   18.971   9.3716 21.31924 17.95791 
1 1 1  -72    2   12 o   45.986   14.227  895.906  585.415  639.296  967.825  1043.96  735.152   46.174   17.964   49.799   16.015 -3.624660 24.06610 
1 1 1  -72    2   13 o   28.219   12.702 -263.2173  611.421   71.980  921.336 -527.0120  817.336   38.630   16.524   30.932   14.215 7.698301 21.79737 
1 1 1  -72    2   14 f   96.915   12.668  4043.18  973.020  1637.80  1462.05  5955.60  1303.65   61.938   22.498  117.240   13.970 -55.30211 26.48254 
1 1 1  -72    2   15 o  102.615   12.388  4550.81  1011.32  5098.68  1557.28  4151.23  1329.92  104.735   19.012   94.960   17.905 9.775078 26.11603 
1 1 1  -72    2   16 o   57.768   16.330  1551.74  799.983  832.034  1100.95  2356.80  1164.41   48.402   19.063   69.551   19.715 -21.14899 27.42381 
1 1 1  -72    2   17 f   43.967   16.445  776.906  790.821 -357.8233  1230.07  1576.36  1032.48   38.672   17.647   57.050   19.019 -18.37769 25.94521 
1 1 1  -72    2   18 o   42.550   17.390  605.335  952.766  792.614  1366.12  427.971  1329.46   48.206   20.350   44.795   19.507 3.411030 28.18964 
1 1 1  -72    2   19 f   37.804   16.467  264.122  948.000   29.240  1284.26  545.339  1405.24   39.903   18.140   44.708   19.742 -4.805431 26.81080 
1 1 1  -72    2   20 o   24.503   12.208 -1882.5840  968.592 -4228.3799  1517.78 -270.8735  1258.08   26.407   13.414   36.064   16.929 -9.656391 21.59916 
1 1 1  -72    2   21 o   26.563   13.174 -1538.3170  1078.61 -3106.9910  1695.31 -471.4879  1398.08   29.322   14.813   34.341   16.587 -5.019182 22.23892 
1 1 1  -72    4    1 o  270.264   15.396 30138.79  3364.52 30567.98  3907.20 28907.62  6617.58  271.452   17.826  257.798   32.325 13.65451 36.91430 
1 1 1  -72    4    2 f  188.173   14.631 14634.92  2217.83 17222.77  2525.70  5918.70  4635.29  204.048   15.357  117.996   40.296 86.05190 43.12305 
1 1 1  -72    4    3 o  572.571   27.933 139279.30 12986.38 142572.20 15657.45 132021.00 23246.17  572.619   33.826  522.773   55.619 49.84546 65.09715 
1 1 1  -72    4    4 o  599.516   27.024 152712.41 13155.16 140959.50 15838.05 178860.20 23623.73  567.232   34.552  619.960   47.286 -52.72821 58.56495 
1 1 1  -72    4    5 o  191.898   10.781 15118.24  1673.04 16214.52  2490.04 14216.04  2258.90  197.574   15.650  185.053   15.167 12.52155 21.79327 
1 1 1  -72    4    6 f  121.176   11.422  6074.19  1110.60   0.0000   0.0000  6074.19  1110.60  ?   ?   121.176   11.422 0.000000 11.42237 
1 1 1  -72    4    7 o  139.784   9.6306  8036.41  1086.41  7292.52  1688.67  8561.74  1419.08  131.566   16.146  143.739   12.277 -12.17274 20.28348 
1 1 1  -72    4    8 o   94.270   9.2397  3674.44  698.157  2835.99  1164.18  4145.34  872.452   80.666   18.206   99.842   10.941 -19.17571 21.24077 
1 1 1  -72    4    9 o  114.274   9.8482  5404.09  904.857  4123.25  1466.20  6192.02  1149.98   97.024   19.291  121.911   11.763 -24.88728 22.59430 
1 1 1  -72    4   10 o  129.126   10.140  6912.60  1054.62  7510.50  1690.66  6531.75  1349.32  132.663   16.020  124.477   13.570 8.186043 20.99462 
1 1 1  -72    4   11 o   61.545   11.604  1622.25  558.602  484.972  1000.60  2137.18  673.291   44.949   18.019   70.721   12.164 -25.77210 21.74009 
1 1 1  -72    4   12 o   35.362   12.928  434.983  483.838  1338.68  920.373   89.863  568.772   55.844   17.915   31.444   13.195 24.40049 22.24990 
1 1 1  -72    4   13 o   50.172   14.803  1098.69  644.348  913.627  1034.34  1216.05  823.705   50.188   18.800   53.040   16.941 -2.851582 25.30702 
1 1 1  -72    4   14 o   74.176   13.256  2407.36  769.085  2513.60  1246.23  2342.01  977.407   73.148   20.278   71.695   17.041 1.453018 26.48733 
1 1 1  -72    4   15 o  128.377   11.834  7066.41  1219.63  9027.68  1888.23  5662.44  1597.59  141.687   16.736  110.776   18.408 30.91054 24.87853 
1 1 1  -72    4   16 o   83.829   14.145  3156.39  928.522  3333.25  1546.16  3056.62  1161.23   80.643   22.669   80.039   18.270 0.6039047 29.11522 
1 1 1  -72    4   17 o  128.867   13.761  7465.02  1417.65  7570.91  2152.65  7383.92  1883.86  120.396   22.856  122.477   19.605 -2.080635 30.11215 
1 1 1  -72    4   18 o   61.979   17.803  1954.12  943.239  1524.34  1640.55  2166.35  1152.84   55.893   22.829   63.744   20.005 -7.850609 30.35382 
1 1 1  -72    4   19 o   40.665   17.524  459.433  1050.50 -758.0704  1621.15  1340.71  1379.26   38.994   18.574   51.028   20.897 -12.03337 27.95824 
1 1 1  -72    4   20 o   82.192   9.7617  3066.54  638.733   88.105  2022.67  3396.46  673.179   43.147   20.605   86.549   9.7491 -43.40133 22.79527 
1 1 1  -72    4   21 o   34.918   16.142  184.808  1076.31 -753.8474  1894.74  631.988  1307.79   36.424   17.953   39.257   18.019 -2.833221 25.43632 
1 1 1  -72    6    1 o   89.438   12.058  3333.91  853.360  3333.91  853.360   0.0000   0.0000   89.438   12.058  ?   ?  0.000000 12.05825 
1 1 1  -72    6    2 o   85.621   11.237  3049.85  762.352  3049.85  762.352   0.0000   0.0000   85.621   11.237  ?   ?  0.000000 11.23707 
1 1 1  -72    6    3 o  189.883   13.021 14867.14  1995.50 14859.55  2194.34 14903.41  4797.38  189.520   14.367  182.669   33.582 6.850327 36.52600 
1 1 1  -72    6    4 o   39.015   12.865  597.092  472.898  565.980  480.476  1560.11  2673.17   38.434   12.974   75.261   29.684 -36.82711 32.39517 
1 1 1  -72    6    5 o   60.752   14.539  1582.63  707.607  1407.13  723.172  5528.44  3428.97   57.356   15.261  111.051   34.445 -53.69503 37.67394 
1 1 1  -72    6    6 o   89.887   14.306  3416.05  1009.16  3416.05  1009.16   0.0000   0.0000   89.887   14.306  ?   ?  0.000000 14.30637 
1 1 1  -72    6    7 o  247.169   18.756 25795.09  3736.03   0.0000   0.0000 25795.09  3736.03  ?   ?   247.169   18.756 0.000000 18.75550 
1 1 1  -72    6    8 o  196.613   11.080 15963.24  1761.58 18975.54  2683.05 13680.86  2335.47  212.701   15.645  180.246   16.128 32.45522 22.46968 
1 1 1  -72    6    9 o  149.223   10.336  9211.75  1244.67  8653.69  1956.61  9591.09  1613.15  142.253   17.295  151.388   13.257 -9.134995 21.79175 
1 1 1  -72    6   10 o  176.073   11.346 12891.14  1613.50 12253.00  2451.74 13378.68  2142.98  168.560   18.202  177.852   14.979 -9.292053 23.57332 
1 1 1  -72    6   11 o  206.509   12.618 17880.34  2105.63 17720.74  3145.33 18009.95  2834.49  201.270   19.491  204.507   17.230 -3.237076 26.01477 
1 1 1  -72    6   12 o   28.002   11.561  107.906  426.514 -344.1584  931.542  227.810  479.755   35.038   15.733   31.403   12.515 3.634781 20.10364 
1 1 1  -72    6   13 o   61.881   13.788  1687.90  675.037  3118.86  1190.70  1010.16  819.448   82.847   18.198   49.471   16.942 33.37567 24.86403 
1 1 1  -72    6   14 o   72.451   14.054  2322.88  796.933  1962.56  1335.66  2522.07  993.070   65.180   21.627   74.413   16.830 -9.232956 27.40427 
1 1 1  -72    6   15 o  108.461   12.618  5106.58  1090.44  5006.28  1742.22  5171.18  1398.16  101.297   21.826  106.706   16.684 -5.409470 27.47204 
1 1 1  -72    6   16 o  135.104   13.017  8020.65  1410.30  6076.89  2195.76  9385.56  1839.99  106.214   25.732  143.492   16.068 -37.27860 30.33659 
1 1 1  -72    6   17 f   74.255   8.5225  2353.67  504.534  3374.19  1620.62  2244.15  530.918   78.102   23.578   72.166   9.2753 5.936165 25.33647 
1 1 1  -72    6   18 o  166.393   23.852 15642.03  3130.42   0.0000   0.0000 15642.03  3130.42  ?   ?   166.393   23.852 0.000000 23.85248 
1 1 1  -72    6   19 o   88.307   9.0088  3423.57  636.905  4025.67  1987.69  3354.68  672.356   73.379   26.289   86.904   9.6936 -13.52489 28.01885 
1 1 1  -72    6   20 o   42.807   12.139  906.054  441.360  1812.59  1874.30  852.834  454.130   50.594   22.545   41.413   12.476 9.181038 25.76737 
1 1 1  -72    6   21 o   21.427   9.6493 -61.3818  353.288 -1255.6340  1944.94 -20.6329  359.265   34.831   17.344   22.155   9.8717 12.67614 19.95640 
1 1 1  -72    8    1 o  119.199   31.212  6379.18  3056.51   0.0000   0.0000  6379.18  3056.51  ?   ?   119.199   31.212 0.000000 31.21181 
1 1 1  -72    8    2 o  250.682   30.842 27551.28  6145.34   0.0000   0.0000 27551.28  6145.34  ?   ?   250.682   30.842 0.000000 30.84198 
1 1 1  -72    8    3 o   59.767   27.247 -1551.5890  2923.60   0.0000   0.0000 -1551.5890  2923.60  ?   ?    59.767   27.247 0.000000 27.24738 
1 1 1  -72    8    4 o  158.670   12.889 10421.52  1646.16 10157.18  1782.72 11951.27  4288.60  156.312   14.201  161.969   33.706 -5.657593 36.57584 
1 1 1  -72    8    5 o  135.485   13.789  7649.76  1495.76  7061.61  1591.55 12099.47  4377.66  129.696   15.415  162.068   34.334 -32.37291 37.63573 
1 1 1  -72    8    6 o   63.775   14.657  1750.86  743.092  1750.86  743.092   0.0000   0.0000   63.775   14.657  ?   ?  0.000000 14.65730 
1 1 1  -72    8    7 o  370.728   21.181 58722.63  6349.50 48773.49  9197.10 67783.05  8776.73  323.568   35.595  391.512   27.789 -67.94363 45.15804 
1 1 1  -72    8    8 o  332.867   17.895 46928.08  4818.73 45874.04  7031.91 47861.25  6616.46  320.515   27.280  329.913   24.883 -9.397583 36.92318 
1 1 1  -72    8    9 o  359.440   19.433 55491.96  5650.60 54197.61  8205.93 56659.15  7792.41  342.950   29.764  353.965   27.324 -11.01404 40.40408 
1 1 1  -72    8   10 o   62.205   10.308  1639.31  502.408  863.335  1090.79  1848.26  566.021   50.841   19.249   65.981   10.949 -15.13965 22.14551 
1 1 1  -72    8   11 f  114.222   10.338  5449.27  948.420  4307.37  1639.10  6024.01  1162.85   97.137   21.363  119.525   12.151 -22.38857 24.57678 
1 1 1  -72    8   12 o   23.417   10.639 -247.4247  440.882 -1237.3650  1046.95 -34.0339  486.083   31.272   14.904   27.500   11.885 3.772524 19.06257 
1 1 1  -72    8   13 o   51.925   15.435  1188.77  698.483  589.498  1296.35  1433.92  829.130   49.351   20.240   56.656   16.811 -7.305542 26.31112 
1 1 1  -72    8   14 o  102.018   12.326  4485.15  1000.31  5791.15  1743.15  3843.92  1221.43  111.365   20.013   92.034   16.970 19.33108 26.23956 
1 1 1  -72    8   15 o   75.478   8.3427  2401.26  502.740  3106.20  1630.20  2327.17  528.499   77.946   23.674   74.082   8.9688 3.864319 25.31549 
1 1 1  -72    8   16 o   98.674   8.4857  4113.53  673.265  2349.80  1799.27  4400.69  726.007   67.214   24.870  101.905   8.8624 -34.69111 26.40230 
1 1 1  -72    8   17 o   38.745   11.298  671.366  377.302  754.048  1540.84  666.092  389.149   49.862   21.350   38.624   11.530 11.23783 24.26415 
1 1 1  -72    8   18 o   30.573   9.7893  404.104  274.900 -5573.7178  1824.69  542.935  278.074   28.719   14.600   34.822   9.5488 -6.102741 17.44551 
1 1 1  -72    8   19 o   23.278   8.9849  174.792  240.650 -5072.2549  1707.55  281.120  243.076   27.481   13.986   26.274   9.2149 1.207260 16.74853 
1 1 1  -72    8   20 o   43.735   11.863  950.176  431.916  872.710  2009.99  953.926  442.247   44.732   21.122   43.698   12.067 1.033474 24.32532 
1 1 1  -72    8   21 o   21.391   10.020 -247.3409  436.750  4807.83  2135.55 -468.0090  446.181   59.164   25.228   19.700   9.4786 39.46472 26.95026 
1 1 1  -72   10    1 o  316.782   32.622 44576.20  8270.88   0.0000   0.0000 44576.20  8270.88  ?   ?   316.782   32.622 0.000000 32.62188 
1 1 1  -72   10    2 o  180.318   33.205 14738.89  4682.50   0.0000   0.0000 14738.89  4682.50  ?   ?   180.318   33.205 0.000000 33.20514 
1 1 1  -72   10    3 o  110.169   37.416  5386.52  3996.25   0.0000   0.0000  5386.52  3996.25  ?   ?   110.169   37.416 0.000000 37.41625 
1 1 1  -72   10    4 o  201.511   36.951 18938.75  5823.13   0.0000   0.0000 18938.75  5823.13  ?   ?   201.511   36.951 0.000000 36.95097 
1 1 1  -72   10    5 o  271.949   16.721 30976.04  3674.41 22084.78  4327.63 53941.44  6955.14  225.745   23.977  353.384   24.389 -127.6386 34.20088 
1 1 1  -72   10    6 o   80.930   16.419  2830.68  1042.07  2488.15  1063.57 11045.63  5208.59   75.540   17.657  148.367   41.572 -72.82667 45.16624 
1 1 1  -72   10    7 o  100.400   15.427  4302.39  1217.40  4302.39  1217.40   0.0000   0.0000  100.400   15.427  ?   ?  0.000000 15.42697 
1 1 1  -72   10    8 o  136.039   12.143  7727.52  1327.17   0.0000   0.0000  7727.52  1327.17  ?   ?   136.039   12.143 0.000000 12.14262 
1 1 1  -72   10    9 o   86.735   9.3593  3131.76  648.690  2071.10  1315.91  3472.25  745.575   68.663   21.345   91.165   10.250 -22.50184 23.67815 
1 1 1  -72   10   10 o  277.629   15.203 32717.16  3414.11 34404.55  5110.76 31357.30  4588.01  277.258   22.907  266.194   21.408 11.06409 31.35342 
1 1 1  -72   10   11 o   64.426   10.582  1767.22  534.323  2042.27  1238.04  1704.26  592.329   67.365   20.664   62.851   12.045 4.513935 23.91868 
1 1 1  -72   10   12 o   23.058   10.363 -178.5101  405.202 -245.8514  1140.72 -168.7861  433.471   39.689   17.643   24.106   10.785 15.58287 20.67832 
1 1 1  -72   10   13 o   49.168   8.7507  1031.51  336.546 -312.6853  1211.68  1143.87  350.330   40.114   17.983   51.872   8.6203 -11.75854 19.94210 
1 1 1  -72   10   14 o   27.905   9.8258  291.733  276.533 -132.6098  1404.85  308.838  282.051   44.004   19.570   28.483   9.9298 15.52014 21.94479 
1 1 1  -72   10   15 o   61.273   8.8191  1602.36  426.119 -1206.5601  1474.69  1858.26  445.106   38.056   18.007   66.179   8.4782 -28.12277 19.90302 
1 1 1  -72   10   16 o   48.725   9.7880  1042.49  373.800   13.873  1743.94  1092.03  382.694   47.443   21.395   49.893   9.7961 -2.450039 23.53088 
1 1 1  -72   10   17 o   49.074   21.890  475.911  1771.76 -247.9599  2896.99  908.454  2239.39   53.108   25.161   54.594   24.463 -1.486305 35.09237 
1 1 1  -72   10   18 o   29.141   10.621  330.995  326.206  302.848  1771.64  331.983  331.880   45.993   21.060   29.256   10.705 16.73725 23.62477 
1 1 1  -72   10   19 f   89.622   9.5349  3605.01  683.201  1767.25  2273.78  3787.39  716.300   52.091   23.855   91.660   9.7752 -39.56990 25.77976 
1 1 1  -72   10   20 o   34.791   12.743  583.816  470.411 -250.7316  2168.32  625.035  481.888   40.016   19.620   35.655   12.922 4.361004 23.49257 
1 1 1  -72   12    1 f  302.415   33.160 41321.26  8008.84   0.0000   0.0000 41321.26  8008.84  ?   ?   302.415   33.160 0.000000 33.15967 
1 1 1  -72   12    2 o  179.384   33.371 14801.75  4681.69   0.0000   0.0000 14801.75  4681.69  ?   ?   179.384   33.371 0.000000 33.37077 
1 1 1  -72   12    3 o   92.849   35.081  3309.87  3618.17   0.0000   0.0000  3309.87  3618.17  ?   ?    92.849   35.081 0.000000 35.08147 
1 1 1  -72   12    4 o  120.385   38.448  6942.87  4242.61   0.0000   0.0000  6942.87  4242.61  ?   ?   120.385   38.448 0.000000 38.44810 
1 1 1  -72   12    5 o  222.856   38.976 24093.25  6795.97   0.0000   0.0000 24093.25  6795.97  ?   ?   222.856   38.976 0.000000 38.97617 
1 1 1  -72   12    6 o  321.610   19.589 44203.00  5091.09 30164.62  6119.64 75758.98  9175.04  257.085   29.873  411.585   27.614 -154.5007 40.68129 
1 1 1  -72   12    7 o   62.605   18.819  1696.81  1034.08  1696.81  1034.08   0.0000   0.0000   62.605   18.819  ?   ?  0.000000 18.81898 
1 1 1  -72   12    8 o   60.942   19.623  1582.11  1103.45  1582.11  1103.45   0.0000   0.0000   60.942   19.623  ?   ?  0.000000 19.62333 
1 1 1  -72   12    9 o  158.268   11.613 10467.83  1481.89  7225.02  2569.78 12083.45  1813.86  124.105   26.318  169.372   13.296 -45.26664 29.48586 
1 1 1  -72   12   10 o   29.434   11.691  201.348  417.349 -136.2714  1089.57  259.400  451.807   39.967   17.525   31.341   12.251 8.625456 21.38271 
1 1 1  -72   12   11 o  110.561   9.9281  5116.15  881.766  6915.73  1770.48  4522.54  1016.85  124.846   17.984  103.027   12.405 21.81956 21.84737 
1 1 1  -72   12   12 o   65.171   7.4618  1772.37  387.741  2912.07  1336.74  1667.67  405.160   78.755   20.650   63.037   8.1034 15.71792 22.18342 
1 1 1  -72   12   13 o   70.704   7.6838  2090.90  434.024 -158.0961  1457.76  2309.66  454.643   44.798   19.928   74.362   7.6383 -29.56365 21.34213 
1 1 1  -72   12   14 o   93.287   8.0327  3644.78  602.512  475.836  1921.89  3990.18  634.498   53.813   23.444   97.619   8.0775 -43.80620 24.79638 
1 1 1  -72   12   15 o  147.008   9.1923  9146.51  1091.73  7309.56  2564.90  9552.95  1206.48  113.539   27.998  149.709   9.9823 -36.17080 29.72440 
1 1 1  -72   12   16 o   49.351   10.686  1087.49  415.815  2004.03  1549.85  1016.40  431.640   61.859   23.044   47.463   11.353 14.39600 25.68874 
1 1 1  -72   12   17 o   27.982   10.767  258.515  344.703 -938.3876  1573.76  318.830  353.282   38.668   18.385   29.490   10.999 9.178373 21.42355 
1 1 1  -72   12   18 o   68.790   10.414  2143.89  563.495 -282.7607  1958.43  2362.92  588.376   43.428   20.607   72.342   10.308 -28.91361 23.04171 
1 1 1  -72   12   19 o   53.105   14.297  1477.44  630.158  296.107  2069.44  1598.18  661.576   43.491   20.790   55.052   14.572 -11.56059 25.38820 
1 1 1  -72   12   20 o   46.587   13.197  1170.83  521.902 -3527.4351  2214.90  1447.03  537.023   32.057   16.275   52.492   12.731 -20.43497 20.66293 
1 1 1  -72   14    1 o  234.900   32.752 25345.87  6076.92   0.0000   0.0000 25345.87  6076.92  ?   ?   234.900   32.752 0.000000 32.75229 
1 1 1  -72   14    2 o  126.220   36.817  7707.02  4006.31   0.0000   0.0000  7707.02  4006.31  ?   ?   126.220   36.817 0.000000 36.81701 
1 1 1  -72   14    3 o  177.638   41.535 15867.46  5883.62   0.0000   0.0000 15867.46  5883.62  ?   ?   177.638   41.535 0.000000 41.53453 
1 1 1  -72   14    4 o  270.289   39.359 35747.28  8384.22   0.0000   0.0000 35747.28  8384.22  ?   ?   270.289   39.359 0.000000 39.35851 
1 1 1  -72   14    5 o  205.584   42.186 21658.33  6806.01   0.0000   0.0000 21658.33  6806.01  ?   ?   205.584   42.186 0.000000 42.18649 
1 1 1  -72   14    6 o  233.585   46.477 29506.49  8504.91   0.0000   0.0000 29506.49  8504.91  ?   ?   233.585   46.477 0.000000 46.47706 
1 1 1  -72   14    7 o   15.539   7.4168 -348.3921  261.303 -318.2017  261.620 -12795.2100  5312.08   15.894   7.5390   54.816   27.498 -38.92220 28.51282 
1 1 1  -72   14    8 o  140.873   21.717  8889.55  2404.27  8889.55  2404.27   0.0000   0.0000  140.873   21.717  ?   ?  0.000000 21.71732 
1 1 1  -72   14    9 o   24.672   10.096   94.225  321.589   0.0000   0.0000   94.225  321.589  ?   ?    24.672   10.096 0.000000 10.09567 
1 1 1  -72   14   10 o  152.757   8.3984  9655.51  1037.68  8863.60  2596.29  9806.06  1132.03  137.513   24.133  153.692   9.1119 -16.17943 25.79572 
1 1 1  -72   14   11 o   79.583   7.4843  2631.31  477.940  3920.74  1744.52  2526.67  496.954   90.196   23.562   77.851   7.9742 12.34550 24.87475 
1 1 1  -72   14   12 o   84.129   7.5961  2946.70  513.290 -782.9470  1776.48  3286.43  536.158   45.482   20.923   88.909   7.4969 -43.42718 22.22513 
1 1 1  -72   14   13 o  140.697   8.6682  8282.88  985.443  6208.23  2590.23  8633.98  1065.57  106.180   29.155  143.391   9.2007 -37.21141 30.57185 
1 1 1  -72   14   14 o   80.460   8.4977  2736.65  546.759  3691.82  1992.98  2658.91  568.574   81.905   26.372   79.104   9.0131 2.801376 27.86982 
1 1 1  -72   14   15 o   48.250   10.805  1037.33  412.794  1739.27  1958.67  1004.71  422.279   61.028   24.937   47.365   11.163 13.66296 27.32146 
1 1 1  -72   14   16 o   41.760   11.773  795.034  416.383 -2811.8840  1839.11  989.911  427.483   35.486   17.528   46.616   11.391 -11.12979 20.90369 
1 1 1  -72   14   17 o   42.380   12.269  843.440  446.378  1553.39  2023.16  807.112  457.656   54.674   23.930   41.476   12.531 13.19790 27.01234 
1 1 1  -72   14   18 o   42.095   12.696  867.081  470.056 -681.1133  2505.82  923.547  478.551   43.814   21.399   43.361   12.746 0.4535027 24.90749 
1 1 1  -72   14   19 o   61.675   13.482  1971.06  656.324  2987.93  2553.60  1899.14  679.139   52.059   24.336   59.731   14.210 -7.671936 28.18053 
1 1 1  -72   16    1 o  302.594   36.737 43878.43  8841.10   0.0000   0.0000 43878.43  8841.10  ?   ?   302.594   36.737 0.000000 36.73731 
1 1 1  -72   16    2 o  175.315   38.502 15280.27  5330.79   0.0000   0.0000 15280.27  5330.79  ?   ?   175.315   38.502 0.000000 38.50214 
1 1 1  -72   16    3 o  146.952   42.288 11358.60  5317.54   0.0000   0.0000 11358.60  5317.54  ?   ?   146.952   42.288 0.000000 42.28779 
1 1 1  -72   16    4 o  146.727   44.328 11739.68  5726.80   0.0000   0.0000 11739.68  5726.80  ?   ?   146.727   44.328 0.000000 44.32788 
1 1 1  -72   16    5 o  283.598   44.782 43050.34  9969.82   0.0000   0.0000 43050.34  9969.82  ?   ?   283.598   44.782 0.000000 44.78233 
1 1 1  -72   16    6 o  202.211   50.146 24292.40  8192.95   0.0000   0.0000 24292.40  8192.95  ?   ?   202.211   50.146 0.000000 50.14563 
1 1 1  -72   16    7 o   51.576   21.097  584.209  1403.83  280.686  1440.05  6391.98  6299.19   49.330   20.863  110.255   44.848 -60.92484 49.46346 
1 1 1  -72   16    8 o   59.167   23.385  1111.62  1662.40  1111.62  1662.40   0.0000   0.0000   59.167   23.385  ?   ?  0.000000 23.38529 
1 1 1  -72   16   10 o   49.233   8.1618  1026.46  314.848 -402.2837  1591.33  1084.67  321.197   45.619   20.517   50.660   8.0800 -5.040871 22.05087 
1 1 1  -72   16   11 o  108.140   7.6058  4852.86  663.580  3362.20  2149.15  5009.95  697.669   81.471   27.440  109.798   7.8779 -28.32748 28.54853 
1 1 1  -72   16   12 o   91.248   7.8840  3477.68  578.396  757.426  2194.97  3680.67  599.587   58.591   25.290   93.873   7.9409 -35.28129 26.50700 
1 1 1  -72   16   13 o  124.064   8.2590  6450.09  827.218  8724.06  2669.71  6208.59  870.037  128.156   26.530  121.411   8.8873 6.744324 27.97883 
1 1 1  -72   16   14 o   68.151   8.5646  1980.54  463.465 -314.0581  2266.17  2080.70  473.473   50.839   23.475   69.893   8.5194 -19.05324 24.97279 
1 1 1  -72   16   15 o   37.299   11.295  618.321  371.501  1049.56  2311.77  606.890  376.393   56.363   25.083   37.017   11.400 19.34599 27.55245 
1 1 1  -72   16   16 o   92.115   9.0447  3684.04  667.763  2032.11  2598.92  3800.80  690.960   59.528   26.536   93.453   9.2263 -33.92478 28.09407 
1 1 1  -72   16   17 o   25.220   10.777   71.159  391.187 -661.6550  2359.96   91.863  396.675   44.170   21.386   25.686   10.911 18.48388 24.00901 
1 1 1  -72   16   18 o   42.527   14.834  951.716  629.519  2911.75  3093.90  867.065  642.969   52.923   25.331   40.999   14.916 11.92353 29.39624 
1 1 1  -72   18    1 o  144.459   39.215 10797.48  4717.81   0.0000   0.0000 10797.48  4717.81  ?   ?   144.459   39.215 0.000000 39.21515 
1 1 1  -72   18    2 o  149.272   41.967 11958.13  5298.75   0.0000   0.0000 11958.13  5298.75  ?   ?   149.272   41.967 0.000000 41.96708 
1 1 1  -72   18    3 o  104.785   40.624  5185.55  4936.56   0.0000   0.0000  5185.55  4936.56  ?   ?   104.785   40.624 0.000000 40.62443 
1 1 1  -72   18    4 o  107.880   42.620  5739.54  5519.59   0.0000   0.0000  5739.54  5519.59  ?   ?   107.880   42.620 0.000000 42.62032 
1 1 1  -72   18    5 o   84.275   37.474  960.706  5149.50   0.0000   0.0000  960.706  5149.50  ?   ?    84.275   37.474 0.000000 37.47398 
1 1 1  -72   18    6 o  176.560   52.602 20804.72  8105.72   0.0000   0.0000 20804.72  8105.72  ?   ?   176.560   52.602 0.000000 52.60175 
1 1 1  -72   18    7 o   21.839   9.9263 -221.9689  384.328 -201.5451  384.985 -6189.5430  6580.73   22.119   10.006   71.939   35.034 -49.82026 36.43493 
1 1 1  -72   18    8 o   59.193   22.426  1322.88  1481.09  1521.14  1508.85 -3918.5310  7758.11   61.562   22.776   80.367   38.880 -18.80573 45.05946 
1 1 1  -72   18    9 o  198.220   16.496 17206.97  2630.87   0.0000   0.0000 17206.97  2630.87  ?   ?   198.220   16.496 0.000000 16.49589 
1 1 1  -72   18   10 o   98.841   11.085  4159.60  874.289  1654.99  2524.62  4500.90  931.957   67.879   28.085  102.741   11.362 -34.86142 30.29613 
1 1 1  -72   18   11 o   17.304   7.7403 -90.7126  223.198 -823.2280  1693.71 -77.7669  225.162   43.721   20.225   17.621   7.8356 26.10053 21.69003 
1 1 1  -72   18   12 o   96.232   7.8856  3878.46  610.747  1415.03  2436.64  4043.61  630.887   63.227   26.954   98.236   7.9783 -35.00968 28.11007 
1 1 1  -72   18   13 o   93.890   8.1451  3717.97  614.793  2295.35  2597.88  3802.37  632.767   67.661   28.282   94.891   8.2959 -27.23058 29.47398 
1 1 1  -72   18   14 o   89.821   8.5957  3442.67  619.246  2648.49  2720.34  3486.07  635.941   67.306   28.581   90.294   8.7853 -22.98787 29.90104 
1 1 1  -72   18   15 o   29.502   11.349  294.565  382.926  3953.55  2216.87  182.036  388.769   75.037   27.635   27.436   11.149 47.60070 29.79956 
1 1 1  -72   18   16 o   31.043   13.028  217.793  554.577 -551.5768  2600.35  254.454  567.636   46.501   22.499   31.794   13.249 14.70725 26.11032 
1 1 1  -72   18   17 o   16.567   8.2166 -886.5540  419.501 -7797.7051  3274.63 -771.2409  422.986   35.481   18.165   17.371   8.5463 18.11045 20.07491 
1 1 1  -72   18   18 o   46.663   15.198  1247.77  660.735  225.421  3107.88  1296.16  676.193   42.932   21.463   47.386   15.372 -4.453369 26.39981 
1 1 1  -72   20    1 o  238.918   39.413 29693.23  7379.27   0.0000   0.0000 29693.23  7379.27  ?   ?   238.918   39.413 0.000000 39.41327 
1 1 1  -72   20    2 o  231.070   44.861 29801.50  8113.46   0.0000   0.0000 29801.50  8113.46  ?   ?   231.070   44.861 0.000000 44.86132 
1 1 1  -72   20    3 o  133.248   45.659 10709.06  5951.50   0.0000   0.0000 10709.06  5951.50  ?   ?   133.248   45.659 0.000000 45.65918 
1 1 1  -72   20    4 o  116.759   45.999  8139.04  6412.69   0.0000   0.0000  8139.04  6412.69  ?   ?   116.759   45.999 0.000000 45.99913 
1 1 1  -72   20    5 o   78.298   36.586 -1328.8340  5761.84   0.0000   0.0000 -1328.8340  5761.84  ?   ?    78.298   36.586 0.000000 36.58601 
1 1 1  -72   20    6 o   97.873   43.303  4270.03  6793.01   0.0000   0.0000  4270.03  6793.01  ?   ?    97.873   43.303 0.000000 43.30311 
1 1 1  -72   20    7 o   47.896   21.277 -205.5634  1656.15 -61.0398  1700.68 -2857.8379  7285.53   49.458   21.785   79.449   38.246 -29.99020 44.01538 
1 1 1  -72   20    8 o  109.023   11.651  5060.28  1015.43 -1663.3890  3086.84  5876.13  1075.27   56.381   26.483  117.676   11.396 -61.29598 28.83087 
1 1 1  -72   20    9 o   97.437   11.790  4074.04  913.786   0.0000   0.0000  4074.04  913.786  ?   ?    97.437   11.790 0.000000 11.78989 
1 1 1  -72   20   10 o   45.930   12.827  935.185  496.751 -1477.2800  2552.23  1030.17  506.436   50.578   23.857   48.117   12.756 2.461704 27.05327 
1 1 1  -72   20   11 o   35.944   10.153  562.489  309.362  1301.04  2641.83  552.220  311.505   63.422   27.559   35.650   10.228 27.77204 29.39576 
1 1 1  -72   20   12 o   87.292   8.0807  3216.23  566.250  1391.02  3202.07  3275.15  575.317   64.494   29.046   88.071   8.1372 -23.57643 30.16428 
1 1 1  -72   20   13 o   50.191   10.177  1117.42  400.569  4820.31  2746.86  1036.96  404.897   82.757   30.708   48.146   10.641 34.61095 32.49922 
1 1 1  -72   20   14 o   38.295   12.151  661.965  424.288 -840.6316  2839.86  696.271  429.104   49.626   23.887   39.134   12.193 10.49248 26.81861 
1 1 1  -72   20   15 o   54.934   15.979  1556.47  755.564  242.394  3170.35  1635.60  777.981   51.487   24.895   56.175   16.178 -4.688148 29.68985 
1 1 1  -72   20   16 f   61.510   16.742  2086.34  858.547 -190.1840  3608.33  2222.96  883.933   47.931   23.827   63.453   16.867 -15.52237 29.19261 
1 1 1  -72   20   17 o   37.542   15.078  682.787  702.038 -5730.0161  3582.48  938.886  715.919   37.111   18.999   41.355   15.610 -4.244061 24.58955 
1 1 1  -72   22    1 f   56.117   26.368 -2092.7119  3064.54   0.0000   0.0000 -2092.7119  3064.54  ?   ?    56.117   26.368 0.000000 26.36806 
1 1 1  -72   22    2 f  145.695   48.321 14126.37  6667.64   0.0000   0.0000 14126.37  6667.64  ?   ?   145.695   48.321 0.000000 48.32079 
1 1 1  -72   22    3 o  106.188   43.614  6494.89  6030.14   0.0000   0.0000  6494.89  6030.14  ?   ?   106.188   43.614 0.000000 43.61432 
1 1 1  -72   22    4 o   73.769   34.829 -1905.1270  5463.25   0.0000   0.0000 -1905.1270  5463.25  ?   ?    73.769   34.829 0.000000 34.82916 
1 1 1  -72   22    5 o  108.055   46.231  7870.07  7214.77   0.0000   0.0000  7870.07  7214.77  ?   ?   108.055   46.231 0.000000 46.23071 
1 1 1  -72   22    6 o  114.062   48.540 10573.95  7876.72   0.0000   0.0000 10573.95  7876.72  ?   ?   114.062   48.540 0.000000 48.53999 
1 1 1  -72   22    7 o   87.002   10.249  3211.11  710.118  6285.02  3899.31  3105.67  722.195  101.385   36.755   85.401   10.646 15.98444 38.26585 
1 1 1  -72   22    8 o   74.377   11.333  2389.78  662.813  5215.04  3536.57  2286.93  674.769   92.896   34.770   72.524   11.869 20.37196 36.73976 
1 1 1  -72   22    9 o   23.731   10.179   1.9469  351.333  1184.22  3036.92 -14.0907  353.708   65.714   29.020   23.546   10.157 42.16826 30.74643 
1 1 1  -72   22   10 o   43.223   13.876  819.603  552.029 -1320.9659  3232.19  883.919  560.260   55.448   26.358   44.608   13.937 10.84044 29.81625 
1 1 1  -72   22   11 o   65.116   14.622  1968.64  754.151 -5327.5840  3655.22  2293.04  770.734   47.564   23.699   70.806   13.902 -23.24173 27.47581 
1 1 1  -72   22   12 o  111.448   14.451  5732.48  1276.95  7381.11  4404.37  5581.18  1334.26   86.530   36.535  108.997   15.514 -22.46725 39.69202 
1 1 1  -72   22   13 o   76.060   16.265  2863.42  974.092  5827.46  3867.72  2662.68  1006.54   76.020   33.184   72.328   17.360 3.691475 37.45059 
1 1 1  -72   22   14 o   20.088   9.8775 -1009.6760  562.319 -4612.6421  3570.18 -918.0218  569.426   43.255   21.809   20.800   10.168 22.45464 24.06231 
1 1 1  -72   22   15 o   40.116   15.852  744.375  763.700  5193.86  4093.49  583.919  777.349   59.929   28.804   38.086   15.653 21.84227 32.78211 
1 1 1  -72   24    1 o   89.198   37.299  3770.44  4520.88   0.0000   0.0000  3770.44  4520.88  ?   ?    89.198   37.299 0.000000 37.29920 
1 1 1  -72   24    2 o  108.614   45.045  8100.07  6516.19   0.0000   0.0000  8100.07  6516.19  ?   ?   108.614   45.045 0.000000 45.04453 
1 1 1  -72   24    3 o  170.540   57.050 25978.94  9289.33   0.0000   0.0000 25978.94  9289.33  ?   ?   170.540   57.050 0.000000 57.05039 
1 1 1  -72   24    4 o   84.004   39.316  1380.38  6699.79   0.0000   0.0000  1380.38  6699.79  ?   ?    84.004   39.316 0.000000 39.31633 
1 1 1  -72   24    5 o  106.275   47.533 10070.66  8414.51   0.0000   0.0000 10070.66  8414.51  ?   ?   106.275   47.533 0.000000 47.53330 
1 1 1  -72   24    6 o   12.149   5.6053 -101.5197  128.848   0.0000   0.0000 -101.5197  128.848  ?   ?    12.149   5.6053 0.000000 5.605322 
1 1 1  -72   24    7 o   56.996   11.834  1433.93  529.735  1341.86  5115.90  1434.93  532.598   74.659   34.747   56.996   11.893 17.66345 36.72632 
1 1 1  -72   24    8 o   23.492   10.314 -66.1802  378.370 -5913.8340  3797.26  -7.5384  380.262   48.852   24.311   24.438   10.537 24.41421 26.49601 
1 1 1  -72   24    9 o   43.922   14.555  849.497  605.029  412.608  4312.02  858.271  611.074   65.272   30.856   44.125   14.628 21.14648 34.14759 
1 1 1  -72   24   10 o   29.521   12.812   11.953  569.602 -3166.4800  4265.70   69.655  574.749   54.519   26.884   30.371   13.023 24.14739 29.87236 
1 1 1  -72   24   11 o   55.083   26.364 -250.3836  3350.94 -250.3836  3350.94   0.0000   0.0000   55.083   26.364  ?   ?  0.000000 26.36417 
1 1 1  -72   24   12 o   37.128   15.050  457.175  706.525 -1138.3459  4861.22  491.605  714.108   55.327   27.529   37.699   15.183 17.62880 31.43812 
1 1 1  -72   24   13 o   50.130   17.661  1344.46  893.487  5584.28  5253.97  1218.19  906.694   62.985   30.809   48.237   17.688 14.74704 35.52514 
1 1 1  -72   24   14 o   38.684   15.529  661.082  744.268 -6982.3418  4908.55  840.945  752.974   42.832   21.951   41.271   15.903 1.561394 27.10671 
1 1 1  -72   26    1 o   84.737   38.726  3108.18  5951.63   0.0000   0.0000  3108.18  5951.63  ?   ?    84.737   38.726 0.000000 38.72597 
1 1 1  -72   26    2 o   76.022   36.072   93.805  5999.08   0.0000   0.0000   93.805  5999.08  ?   ?    76.022   36.072 0.000000 36.07175 
1 1 1  -72   26    6 o   93.168   12.145  3803.86  896.935   0.0000   0.0000  3803.86  896.935  ?   ?    93.168   12.145 0.000000 12.14528 
1 1 1  -72   26    7 o   49.003   13.635  1098.47  562.366   0.0000   0.0000  1098.47  562.366  ?   ?    49.003   13.635 0.000000 13.63506 
1 1 1  -72   26    8 o   70.168   14.981  2308.28  827.594  100.862  7039.65  2339.22  833.373   68.209   33.799   70.641   14.993 -2.432320 36.97504 
1 1 1  -72   26    9 o   78.758   16.236  3001.14  1003.73  5725.62  6546.32  2935.55  1015.74   73.752   35.688   77.563   16.628 -3.810493 39.37140 
1 1 1  -72   26   10 o   37.706   15.350  454.238  738.694 11663.99  5659.18  259.934  745.068   86.911   38.919   35.367   14.985 51.54417 41.70423 
1 1 1  -72   26   11 o   67.556   17.657  2422.19  979.365  3170.56  6674.90  2405.73  990.080   60.865   30.573   67.125   17.855 -6.259735 35.40455 
1 1 1  -72   26   12 o   39.081   16.008  605.715  809.565 -1528.8719  4651.29  672.400  822.113   49.557   24.974   40.016   16.230 9.540997 29.78431 
1 1 1  -72   28    4 o   84.429   41.646 10101.80 10261.50   0.0000   0.0000 10101.80 10261.50  ?   ?    84.429   41.646 0.000000 41.64556 
1 1 1  -72   28    5 o   81.553   40.174  9418.84  9444.91   0.0000   0.0000  9418.84  9444.91  ?   ?    81.553   40.174 0.000000 40.17428 
1 1 1  -72   28    6 f   50.006   25.609 -15376.7197  6558.00   0.0000   0.0000 -15376.7197  6558.00  ?   ?    50.006   25.609 0.000000 25.60907 
1 1 1  -72   28    7 o   39.823   14.747  656.053  632.903   0.0000   0.0000  656.053  632.903  ?   ?    39.823   14.747 0.000000 14.74736 
1 1 1  -72   28    8 o   16.227   8.0034 -769.6790  378.620   0.0000   0.0000 -769.6790  378.620  ?   ?    16.227   8.0034 0.000000 8.003396 
1 1 1  -72   28    9 o   57.021   18.167  1753.26  947.678   0.0000   0.0000  1753.26  947.678  ?   ?    57.021   18.167 0.000000 18.16720 
1 1 1  -72   28   10 o   70.574   18.705  2799.37  1089.16   0.0000   0.0000  2799.37  1089.16  ?   ?    70.574   18.705 0.000000 18.70518 
1 1 1  -72   30    1 o   73.988   36.081  5331.69  7047.49   0.0000   0.0000  5331.69  7047.49  ?   ?    73.988   36.081 0.000000 36.08080 
1 1 1  -72   30    2 o   72.179   36.160  5309.81  9039.75   0.0000   0.0000  5309.81  9039.75  ?   ?    72.179   36.160 0.000000 36.16009 
1 1 1  -72   30    3 o   75.492   36.813  7898.19  7334.60   0.0000   0.0000  7898.19  7334.60  ?   ?    75.492   36.813 0.000000 36.81297 
1 1 1  -72   30    4 o   59.956   30.342 -2993.9500  7299.08   0.0000   0.0000 -2993.9500  7299.08  ?   ?    59.956   30.342 0.000000 30.34237 
1 1 1  -72   30    5 o   65.886   33.434  4622.63  9265.87   0.0000   0.0000  4622.63  9265.87  ?   ?    65.886   33.434 0.000000 33.43367 
1 1 1  -72   30    6 o   60.813   30.997  1265.13  8647.83   0.0000   0.0000  1265.13  8647.83  ?   ?    60.813   30.997 0.000000 30.99725 
1 1 1  -71    1    1 o  165.014   16.205 11295.74  2143.22 11054.87  2948.53 11565.56  3120.73  161.462   23.153  164.967   24.002 -3.504868 33.34895 
1 1 1  -71    1    2 o  127.007   17.975  6776.56  1801.93  5366.83  2486.07  8336.89  2615.49  110.811   27.705  139.561   23.943 -28.74920 36.61708 
1 1 1  -71    1    3 o  330.871   21.808 45702.51  5826.04 42342.40  8210.48 49110.14  8268.34  313.078   32.784  338.769   30.382 -25.69067 44.69766 
1 1 1  -71    1    4 o  126.325   7.9249  6526.12  808.755  6275.68  1161.51  6761.81  1126.78  123.323   11.741  128.183   10.931 -4.860039 16.04164 
1 1 1  -71    1    5 o  234.990   12.528 22689.45  2381.83 23133.41  3398.49 22260.86  3339.14  235.845   17.880  231.318   17.918 4.527466 25.31286 
1 1 1  -71    1    6 o  206.325   11.491 17486.51  1917.48 18247.85  2751.04 16767.18  2674.04  209.573   16.295  200.766   16.551 8.807053 23.22638 
1 1 1  -71    1    7 o  404.481   20.724 68754.64  6783.41 68269.28  9629.73 69232.70  9557.06  395.632   30.205  398.861   29.723 -3.228699 42.37687 
1 1 1  -71    1    8 o  204.961   11.889 17327.79  1970.06 16600.84  2806.99 18033.50  2765.65  198.757   17.574  207.605   16.544 -8.848038 24.13633 
1 1 1  -71    1    9 o  163.123   10.656 10980.20  1403.70 11024.54  2022.21 10938.98  1950.02  161.994   15.566  161.537   15.040 0.4563904 21.64472 
1 1 1  -71    1   10 o   61.960   11.201  1630.59  542.786  1645.76  892.840  1621.70  683.618   61.564   17.198   61.244   14.046 0.3194046 22.20532 
1 1 1  -71    1   11 o  157.459   11.038 10305.70  1402.31 10867.36  2003.86  9766.66  1963.11  159.889   15.635  151.238   16.241 8.651718 22.54366 
1 1 1  -71    1   12 o  143.612   11.103  8613.86  1284.65  9004.34  1836.96  8240.10  1797.21  144.799   15.885  138.243   16.326 6.555969 22.77874 
1 1 1  -71    1   13 o   67.421   14.146  1992.51  749.714  1111.72  1107.75  2736.91  1018.39   53.706   19.572   78.465   16.507 -24.75974 25.60385 
1 1 1  -71    1   14 o   70.827   14.847  2225.89  826.530  1960.43  1227.33  2446.20  1118.07   65.485   20.655   72.923   18.772 -7.438065 27.91038 
1 1 1  -71    1   15 o   97.296   13.331  4122.83  1025.50  5171.51  1508.39  3221.50  1398.41  106.368   18.114   82.010   20.930 24.35839 27.68019 
1 1 1  -71    1   16 o   71.153   15.935  2330.41  897.770  1305.19  1210.28  3584.71  1338.69   55.183   20.402   86.447   19.532 -31.26389 28.24423 
1 1 1  -71    1   17 o   25.468   12.080 -700.1573  671.386 -378.3602  842.993 -1258.3180  1110.23   31.862   14.566   31.440   15.082 0.4213638 20.96751 
1 1 1  -71    1   18 o   31.264   14.433 -433.5391  856.034  739.770  1188.88 -1696.7710  1233.59   46.589   19.274   31.080   15.143 15.50911 24.51122 
1 1 1  -71    1   19 o   33.847   15.040   6.1742  827.986 -640.6205  1317.03  428.876  1064.70   36.560   17.212   41.042   17.664 -4.482315 24.66356 
1 1 1  -71    1   20 o   40.257   17.231  573.162  1003.11  1311.25  1377.07 -261.2203  1464.15   48.895   20.525   38.630   18.175 10.26471 27.41553 
1 1 1  -71    1   21 o   63.352   21.852  3052.17  1364.24  3358.77  2047.63  2807.43  1829.41   56.937   24.501   54.890   23.377 2.047626 33.86399 
1 1 1  -71    3    1 o  250.258   14.746 25783.15  2983.09 26885.69  3451.93 22531.16  5928.43  255.063   16.761  227.600   33.045 27.46352 37.05316 
1 1 1  -71    3    2 f  280.192   16.300 32402.28  3692.25 34472.31  4315.56 26748.41  7132.16  288.355   18.530  246.315   36.788 42.04060 41.19156 
1 1 1  -71    3    3 o  260.671   16.431 28083.01  3459.87 29981.53  4016.22 22618.96  6813.45  268.740   18.519  224.886   38.710 43.85381 42.91147 
1 1 1  -71    3    4 o  482.874   24.565 98088.70  9599.80 100683.90 11514.16 92171.63 17385.90  485.659   29.336  446.039   48.801 39.62082 56.94007 
1 1 1  -71    3    5 o   55.234   10.332  1286.55  446.314   0.0000   0.0000  1286.55  446.314  ?   ?    55.234   10.332 0.000000 10.33151 
1 1 1  -71    3    6 o  250.440   13.345 25845.11  2703.86 26588.51  3927.43 25175.27  3728.04  252.011   19.341  245.370   18.856 6.641769 27.01166 
1 1 1  -71    3    7 o  288.369   15.092 34457.38  3521.37 35893.39  5083.06 33132.23  4882.90  291.271   21.647  279.778   21.663 11.49283 30.62529 
1 1 1  -71    3    8 o  187.282   11.333 14461.18  1715.29 13482.16  2522.13 15303.71  2339.71  178.880   17.592  191.546   15.168 -12.66559 23.22807 
1 1 1  -71    3    9 o  278.846   15.262 32476.61  3442.40 31567.79  4966.02 33317.25  4776.10  270.290   22.842  278.835   21.256 -8.544922 31.20148 
1 1 1  -71    3   10 o  223.154   13.090 20748.03  2361.35 19886.24  3427.61 21526.53  3257.78  214.926   19.866  224.800   17.999 -9.874207 26.80681 
1 1 1  -71    3   11 o  233.142   13.556 22790.18  2555.08 23221.57  3718.59 22404.35  3516.71  231.118   20.013  227.577   19.211 3.541092 27.74134 
1 1 1  -71    3   12 o  215.871   13.139 19607.96  2292.13 19712.68  3345.89 19515.35  3146.42  211.945   19.666  211.790   18.482 0.1556702 26.98798 
1 1 1  -71    3   13 o   83.880   12.826  3022.64  845.764  3046.78  1274.25  3003.63  1130.75   81.699   19.483   81.847   17.542 -0.1484528 26.21634 
1 1 1  -71    3   14 o   87.629   13.000  3320.23  896.946  4642.14  1335.28  2233.30  1210.79  102.114   16.681   69.373   20.241 32.74072 26.22885 
1 1 1  -71    3   15 o   40.932   15.541  574.653  712.261  1258.03  1098.79   79.404  935.399   54.557   19.546   38.479   16.559 16.07815 25.61715 
1 1 1  -71    3   16 o   46.714   16.571  911.698  787.887 -245.6067  1185.07  1828.49  1054.76   39.493   17.739   62.021   19.082 -22.52765 26.05331 
1 1 1  -71    3   17 o   57.652   17.872  1596.60  923.286  1902.01  1418.78  1372.26  1216.00   61.824   22.204   54.937   20.422 6.887306 30.16734 
1 1 1  -71    3   18 o   32.476   14.962 -411.9742  913.105  733.476  1389.62 -1282.3400  1211.32   48.152   20.436   32.521   15.640 15.63076 25.73448 
1 1 1  -71    3   19 o   23.671   11.796 -1969.0740  907.001 -2410.9771  1386.71 -1638.6870  1199.04   30.110   14.935   30.059   14.706 0.5171204E-01 20.95986 
1 1 1  -71    3   20 o   43.559   18.546  830.511  1150.91 -466.5771  1739.93  1839.53  1534.61   39.870   19.060   53.294   21.959 -13.42353 29.07712 
1 1 1  -71    3   21 o   43.235   18.858  1082.66  1246.84  1615.31  1939.29  707.332  1627.89   46.762   21.636   41.734   19.483 5.028713 29.11472 
1 1 1  -71    5    1 o  262.508   12.373 28200.61  2637.27 25966.55  3023.09 35315.45  5394.94  251.022   14.899  290.074   23.097 -39.05188 27.48525 
1 1 1  -71    5    2 o  315.474   15.573 40929.73  3989.04 36941.47  4647.72 52085.46  7773.15  298.102   19.305  350.178   27.561 -52.07547 33.64966 
1 1 1  -71    5    3 o  192.296   14.204 15261.77  2202.09 15261.77  2202.09   0.0000   0.0000  192.296   14.204  ?   ?  0.000000 14.20407 
1 1 1  -71    5    4 o  140.813   11.994  8176.60  1358.22  8176.60  1358.22   0.0000   0.0000  140.813   11.994  ?   ?  0.000000 11.99354 
1 1 1  -71    5    5 f  391.083   20.091 63895.18  6358.24 53281.80  7969.32 82483.41 10546.63  352.297   28.093  437.237   29.886 -84.94083 41.01707 
1 1 1  -71    5    6 o   39.831   10.180  673.788  330.483  1899.82  677.730  291.307  378.539   66.892   12.946   30.562   11.388 36.32953 17.24185 
1 1 1  -71    5    7 o  340.542   17.874 48484.94  4925.13 47705.13  7132.45 49195.66  6809.17  331.982   26.685  338.460   24.953 -6.478424 36.53422 
1 1 1  -71    5    8 o  261.689   14.593 28477.39  3088.32 26568.33  4537.94 30124.42  4215.01  248.585   22.734  266.676   19.603 -18.09090 30.01897 
1 1 1  -71    5    9 o   72.890   9.6691  2217.72  558.130  2355.84  1059.21  2164.63  656.693   73.377   17.930   71.554   11.708 1.823792 21.41434 
1 1 1  -71    5   10 o  301.137   16.504 38339.76  4020.17 37343.21  5828.39 39244.17  5552.39  289.898   25.005  299.155   23.036 -9.256927 33.99872 
1 1 1  -71    5   11 o  256.515   14.543 27745.11  3016.61 27938.43  4400.49 27573.73  4143.38  251.769   21.739  251.205   20.492 0.5641785 29.87504 
1 1 1  -71    5   12 o   36.418   12.775  498.871  467.203  117.857  895.124  641.532  547.730   38.821   16.435   40.447   13.852 -1.625793 21.49362 
1 1 1  -71    5   13 f   85.667   11.248  3115.57  763.500  3813.40  1313.60  2759.55  938.259   92.064   18.218   79.188   15.144 12.87664 23.69026 
1 1 1  -71    5   14 o   64.256   14.990  1846.21  767.770  2322.31  1257.03  1562.92  969.651   70.461   20.643   58.956   18.322 11.50511 27.60105 
1 1 1  -71    5   15 o  102.114   12.773  4522.52  1035.86  5631.30  1636.15  3780.80  1338.21  110.246   18.961   89.939   18.924 20.30679 26.78902 
1 1 1  -71    5   16 o   17.271   8.7497 -2120.1531  617.556 -4183.3169  1048.59 -1024.5310  764.134  ?   ?    25.746   12.392 0.000000 12.39180 
1 1 1  -71    5   17 o   51.114   17.627  1201.28  887.596  635.693  1466.61  1528.17  1114.97   49.139   20.929   56.460   19.739 -7.320927 28.76929 
1 1 1  -71    5   18 o  103.707   8.7121  4604.19  726.820  4591.54  1945.28  4606.24  783.568   86.954   25.738  103.268   9.4497 -16.31369 27.41760 
1 1 1  -71    5   19 o  102.943   9.1946  4629.48  760.456  4215.64  2068.26  4694.18  817.736   76.219   26.868  103.105   9.8891 -26.88541 28.63015 
1 1 1  -71    5   20 o  115.179   9.8100  5980.81  908.704  2895.12  2353.96  6521.16  985.060   57.502   25.464  119.788   10.226 -62.28604 27.44013 
1 1 1  -71    5   21 o   52.492   11.552  1370.91  478.997  221.480  2007.43  1440.30  493.244   40.460   19.622   53.772   11.635 -13.31270 22.81225 
1 1 1  -71    7    1 o  155.005   28.666 10501.04  3475.00   0.0000   0.0000 10501.04  3475.00  ?   ?   155.005   28.666 0.000000 28.66610 
1 1 1  -71    7    2 o   55.564   24.815 -809.0688  2284.25   0.0000   0.0000 -809.0688  2284.25  ?   ?    55.564   24.815 0.000000 24.81505 
1 1 1  -71    7    3 o   72.575   12.696  2221.18  720.920  2036.92  739.718  5708.96  3218.30   69.261   13.639  113.345   32.980 -44.08474 35.68891 
1 1 1  -71    7    4 o   59.252   12.316  1492.22  573.207  1569.74  582.612 -850.4000  3202.93   60.817   12.222   66.404   29.540 -5.586563 31.96828 
1 1 1  -71    7    5 o  332.392   19.518 46254.83  5244.50 43061.89  6471.98 52361.30  8950.28  317.419   25.322  344.955   32.332 -27.53629 41.06762 
1 1 1  -71    7    6 o  161.688   15.861 10930.98  2055.53 10930.98  2055.53   0.0000   0.0000  161.688   15.861  ?   ?  0.000000 15.86125 
1 1 1  -71    7    7 o   38.228   11.361  608.547  378.456   0.0000   0.0000  608.547  378.456  ?   ?    38.228   11.361 0.000000 11.36091 
1 1 1  -71    7    8 o   94.155   8.6637  3658.87  654.918  4028.46  1203.51  3503.38  780.619   97.136   15.802   91.722   10.682 5.414253 19.07387 
1 1 1  -71    7    9 o   91.083   9.0085  3435.69  657.498  3639.65  1232.05  3354.48  777.462   91.596   17.197   89.577   10.915 2.019218 20.36868 
1 1 1  -71    7   10 o  331.834   18.099 47064.13  4858.04 45724.04  7054.69 48272.73  6699.66  316.688   27.714  328.375   25.323 -11.68689 37.54087 
1 1 1  -71    7   11 o  249.109   14.356 26201.37  2891.53 25956.27  4288.90 26405.60  3915.09  241.740   22.095  245.921   19.774 -4.181046 29.65111 
1 1 1  -71    7   12 o  106.264   10.412  4730.57  886.855  6233.66  1476.01  3881.34  1109.45  120.072   15.501   94.588   14.942 25.48426 21.53016 
1 1 1  -71    7   13 o  173.768   12.045 12755.73  1689.04 13551.42  2627.97 12195.72  2204.71  174.387   18.860  167.124   16.461 7.262604 25.03303 
1 1 1  -71    7   14 o   39.555   14.893  535.901  650.751  2054.72  1153.48 -173.2118  788.157   66.477   19.852   33.201   14.717 33.27610 24.71176 
1 1 1  -71    7   15 o   71.749   8.2152  2165.71  469.974  2335.69  1398.49  2144.07  498.994   69.323   22.067   71.198   8.8203 -1.875793 23.76490 
1 1 1  -71    7   16 o  134.146   8.6572  7570.27  937.930  9530.48  2127.43  7097.33  1044.97  141.955   18.929  129.094   10.048 12.86119 21.43072 
1 1 1  -71    7   17 f  118.458   8.8939  5966.17  849.206  4265.52  2045.94  6320.15  933.409   84.924   26.650  121.535   9.5352 -36.61160 28.30457 
1 1 1  -71    7   18 o   64.800   31.238  2284.49  4900.05  3693.51  7355.91  1160.48  6569.95   67.982   33.831   64.255   31.976 3.727066 46.55102 
1 1 1  -71    7   19 o   25.665   9.9798  210.537  298.598 -554.5940  1663.73  236.003  303.526   40.171   19.042   26.363   10.113 13.80851 21.56071 
1 1 1  -71    7   20 o   18.216   8.5458 -264.7711  319.780 -496.2151  1778.49 -257.0387  325.078   39.126   18.850   18.488   8.6554 20.63728 20.74245 
1 1 1  -71    7   21 o   49.262   13.459  1312.75  553.641 -2098.6599  2088.16  1570.69  574.190   33.998   17.080   54.444   13.139 -20.44617 21.54929 
1 1 1  -71    9    1 o  165.368   30.141 12084.72  3898.05   0.0000   0.0000 12084.72  3898.05  ?   ?   165.368   30.141 0.000000 30.14123 
1 1 1  -71    9    2 o  285.852   31.760 35821.82  7246.91   0.0000   0.0000 35821.82  7246.91  ?   ?   285.852   31.760 0.000000 31.75983 
1 1 1  -71    9    3 f   80.798   31.549  1963.84  2993.80   0.0000   0.0000  1963.84  2993.80  ?   ?    80.798   31.549 0.000000 31.54944 
1 1 1  -71    9    4 o   79.294   31.605  1702.97  3060.08   0.0000   0.0000  1702.97  3060.08  ?   ?    79.294   31.605 0.000000 31.60490 
1 1 1  -71    9    5 o   41.226   13.844  659.376  547.028  610.258  553.531  2713.12  3579.28   40.326   13.919   89.490   34.621 -49.16437 37.31382 
1 1 1  -71    9    6 o  123.556   14.831  6411.56  1458.14  6411.56  1458.14   0.0000   0.0000  123.556   14.831  ?   ?  0.000000 14.83074 
1 1 1  -71    9    7 o   25.913   11.306 -84.6030  448.464 -84.6030  448.464   0.0000   0.0000   25.913   11.306  ?   ?  0.000000 11.30587 
1 1 1  -71    9    8 o  112.526   10.966  5264.59  989.192   0.0000   0.0000  5264.59  989.192  ?   ?   112.526   10.966 0.000000 10.96588 
1 1 1  -71    9    9 o  145.245   10.066  8729.60  1179.82  8888.34  1983.07  8642.62  1467.87  143.988   17.309  143.716   12.710 0.2718658 21.47406 
1 1 1  -71    9   10 o  250.705   13.329 26342.42  2703.57 31367.20  4090.87 22445.97  3602.40  269.560   18.808  227.169   19.726 42.39070 27.25560 
1 1 1  -71    9   11 f   69.235   10.526  2029.86  573.086  3545.10  1250.09  1626.69  644.838   89.366   17.853   61.136   13.363 28.23009 22.30000 
1 1 1  -71    9   12 o  109.594   10.686  5046.08  938.821  3367.11  1687.46  5798.74  1129.82   84.375   23.670  117.036   12.062 -32.66030 26.56576 
1 1 1  -71    9   13 o   94.621   11.767  3820.05  884.544  3583.80  1503.44  3945.13  1093.91   87.207   21.394   94.970   14.658 -7.763252 25.93338 
1 1 1  -71    9   14 o  102.652   7.8215  4384.75  647.016  2591.04  1662.25  4705.04  702.410   72.984   24.123  106.227   8.2073 -33.24349 25.48079 
1 1 1  -71    9   15 o   50.987   10.107  1131.02  403.662  2412.42  1573.87  1040.79  417.632   69.680   23.482   48.670   10.845 21.01008 25.86556 
1 1 1  -71    9   16 o   84.683   8.7544  3043.15  593.256  4542.80  1893.25  2879.87  624.719   91.604   24.832   82.020   9.5599 9.583870 26.60833 
1 1 1  -71    9   17 o   63.148   9.6760  1738.18  480.313  118.547  1662.26  1885.73  501.715   46.555   20.951   65.821   9.6765 -19.26574 23.07749 
1 1 1  -71    9   18 o   27.761   10.616  260.150  333.805 -3497.2871  1621.62  426.409  341.110   30.498   15.284   31.854   10.930 -1.355225 18.79059 
1 1 1  -71    9   19 o   21.258   9.1509   17.839  285.845 -2579.6121  1779.29   86.652  289.607   33.701   16.750   22.684   9.4591 11.01716 19.23594 
1 1 1  -71    9   20 o   26.102   11.057  135.822  405.494  5398.60  2013.19 -86.7137  413.979   77.615   26.556   23.151   10.434 54.46398 28.53199 
1 1 1  -71    9   21 o   32.734   12.116  526.416  427.075  2892.93  1863.97  395.299  438.747   50.524   22.501   30.258   11.997 20.26531 25.49917 
1 1 1  -71   11    1 o  292.080   31.620 37733.10  7379.34   0.0000   0.0000 37733.10  7379.34  ?   ?   292.080   31.620 0.000000 31.62038 
1 1 1  -71   11    2 o   95.943   32.594  3903.55  3032.53   0.0000   0.0000  3903.55  3032.53  ?   ?    95.943   32.594 0.000000 32.59389 
1 1 1  -71   11    3 o  107.537   35.693  5135.90  3637.75   0.0000   0.0000  5135.90  3637.75  ?   ?   107.537   35.693 0.000000 35.69271 
1 1 1  -71   11    4 o  266.449   36.031 32613.73  7595.37   0.0000   0.0000 32613.73  7595.37  ?   ?   266.449   36.031 0.000000 36.03136 
1 1 1  -71   11    5 o  437.177   45.321 93925.53 15853.89   0.0000   0.0000 93925.53 15853.89  ?   ?   437.177   45.321 0.000000 45.32062 
1 1 1  -71   11    6 o   87.487   17.273  3312.60  1183.48  2751.22  1222.59 11668.03  4716.65   79.199   19.209  155.016   37.811 -75.81712 42.41032 
1 1 1  -71   11    7 o   64.558   16.984  1815.81  902.304  1815.81  902.304   0.0000   0.0000   64.558   16.984  ?   ?  0.000000 16.98441 
1 1 1  -71   11    8 o  116.040   10.197  5587.79  951.061  1475.74  1731.21  7365.21  1138.20   64.460   24.287  133.231   10.609 -68.77120 26.50353 
1 1 1  -71   11    9 o  278.538   17.135 33092.57  3856.47 25860.62  5762.35 38959.60  5190.16  233.696   31.143  298.183   21.583 -64.48720 37.89041 
1 1 1  -71   11   10 o  161.852   11.506 10945.63  1502.19  8229.95  2472.65 12534.31  1891.22  134.266   23.539  172.296   13.630 -38.03079 27.20032 
1 1 1  -71   11   11 o  157.326   11.205 10365.44  1422.00  9395.47  2377.97 10905.36  1774.17  144.491   20.874  160.163   13.777 -15.67209 25.01043 
1 1 1  -71   11   12 o   65.230   7.3827  1772.25  384.142 -1010.5600  1331.04  2025.09  401.214   37.875   17.659   69.827   7.1787 -31.95211 19.06282 
1 1 1  -71   11   13 o  115.500   7.9389  5539.96  740.005  2957.38  1807.91  6059.73  811.060   77.706   25.128  120.688   8.3275 -42.98155 26.47203 
1 1 1  -71   11   14 o   84.175   7.7379  2959.15  522.944  1938.97  1544.55  3091.24  555.768   64.721   23.175   85.948   8.0578 -21.22667 24.53595 
1 1 1  -71   11   15 o   60.122   9.2249  1550.32  435.951  324.478  1489.26  1665.21  455.922   47.849   20.742   62.329   9.2928 -14.47950 22.72826 
1 1 1  -71   11   16 o   50.060   10.813  1113.87  426.656  2709.01  1573.55  987.290  443.261   70.924   23.472   46.839   11.692 24.08567 26.22248 
1 1 1  -71   11   17 o   48.544   11.559  1074.00  449.056  538.991  1718.18  1113.23  465.227   49.108   21.750   49.353   11.774 -0.2453880 24.73257 
1 1 1  -71   11   18 f   57.097   11.004  1489.25  491.660  289.303  1940.53  1571.56  508.244   47.110   21.742   58.647   11.079 -11.53719 24.40222 
1 1 1  -71   11   19 o   58.106   11.742  1607.74  534.929  657.176  2150.13  1670.46  552.294   46.819   22.027   59.131   11.915 -12.31128 25.04319 
1 1 1  -71   11   20 o   25.893   11.095  122.010  416.610  3202.17  2247.01   12.358  423.961   53.985   24.321   24.487   10.827 29.49787 26.62175 
1 1 1  -71   13    1 o  196.073   31.455 17380.16  4838.44   0.0000   0.0000 17380.16  4838.44  ?   ?   196.073   31.455 0.000000 31.45461 
1 1 1  -71   13    2 o   81.574   31.850  2158.17  3050.98   0.0000   0.0000  2158.17  3050.98  ?   ?    81.574   31.850 0.000000 31.85006 
1 1 1  -71   13    3 o  220.729   35.480 22668.42  6143.46   0.0000   0.0000 22668.42  6143.46  ?   ?   220.729   35.480 0.000000 35.47999 
1 1 1  -71   13    4 o  144.774   39.298 10298.54  4737.95   0.0000   0.0000 10298.54  4737.95  ?   ?   144.774   39.298 0.000000 39.29797 
1 1 1  -71   13    5 o  138.319   41.093  9644.84  4951.99   0.0000   0.0000  9644.84  4951.99  ?   ?   138.319   41.093 0.000000 41.09295 
1 1 1  -71   13    6 o  199.388   19.754 17094.52  3156.08 13564.40  3518.45 31632.92  7140.27  174.132   25.653  258.196   34.957 -84.06342 43.36039 
1 1 1  -71   13    7 o   80.833   20.040  2909.57  1308.73  2909.57  1308.73   0.0000   0.0000   80.833   20.040  ?   ?  0.000000 20.03970 
1 1 1  -71   13    8 o   78.350   20.028  2749.51  1279.03  2749.51  1279.03   0.0000   0.0000   78.350   20.028  ?   ?  0.000000 20.02824 
1 1 1  -71   13    9 o  137.046   20.981  8372.14  2260.38  8372.14  2260.38   0.0000   0.0000  137.046   20.981  ?   ?  0.000000 20.98104 
1 1 1  -71   13   10 o  144.497   11.005  8735.12  1281.49  7122.40  2349.67  9417.94  1528.90  123.599   24.279  149.339   12.730 -25.73982 27.41404 
1 1 1  -71   13   11 o  285.642   13.577 34577.68  3148.84 26855.17  6057.86 37436.65  3685.91  227.522   33.820  295.075   15.438 -67.55328 37.17682 
1 1 1  -71   13   12 o  241.492   11.671 24566.13  2288.51 20982.59  4611.47 25737.05  2636.01  204.878   28.492  245.582   13.269 -40.70349 31.43011 
1 1 1  -71   13   13 o   37.146   9.9733  598.013  307.138 -2087.8401  1412.59  731.289  314.667   33.664   16.357   41.043   9.6113 -7.378998 18.97187 
1 1 1  -71   13   14 o   98.708   8.1924  4083.08  650.666  3626.26  1816.89  4150.28  696.886   83.331   24.922   99.315   8.7305 -15.98383 26.40658 
1 1 1  -71   13   15 o   30.504   10.410  372.831  309.356 -2628.8530  1666.39  479.973  314.829   34.856   17.112   33.514   10.444 1.341858 20.04721 
1 1 1  -71   13   16 o   45.751   11.356  945.164  419.866 -707.1790  1657.39  1058.48  434.024   41.892   19.590   48.476   11.245 -6.584789 22.58784 
1 1 1  -71   13   17 o   25.015   10.539   79.407  365.244  464.629  1701.87   60.807  373.958   47.553   21.315   24.942   10.594 22.61074 23.80282 
1 1 1  -71   13   18 o   39.311   12.517  728.250  449.928 -1702.9390  1939.79  866.483  462.543   38.051   18.636   42.536   12.539 -4.484283 22.46147 
1 1 1  -71   13   19 o  ?   ?  -1153.5770  300.357 -5577.9512  1933.20 -1044.1350  304.049   28.257   14.425   12.021   6.0955 16.23582 15.66028 
1 1 1  -71   13   20 o   36.304   14.454  669.862  639.417 -144.0374  2377.58  733.318  663.876   39.450   19.565   37.316   14.769 2.133865 24.51336 
1 1 1  -71   15    1 o  189.537   33.743 16756.16  5002.58   0.0000   0.0000 16756.16  5002.58  ?   ?   189.537   33.743 0.000000 33.74280 
1 1 1  -71   15    2 o  186.290   35.810 16512.20  5219.96   0.0000   0.0000 16512.20  5219.96  ?   ?   186.290   35.810 0.000000 35.81035 
1 1 1  -71   15    3 o  131.822   40.094  8702.32  4673.50   0.0000   0.0000  8702.32  4673.50  ?   ?   131.822   40.094 0.000000 40.09361 
1 1 1  -71   15    4 o  117.972   40.730  6859.75  4739.97   0.0000   0.0000  6859.75  4739.97  ?   ?   117.972   40.730 0.000000 40.73034 
1 1 1  -71   15    5 o  245.686   41.771 30671.00  8034.63   0.0000   0.0000 30671.00  8034.63  ?   ?   245.686   41.771 0.000000 41.77141 
1 1 1  -71   15    6 o  143.748   47.165 11743.45  6358.72   0.0000   0.0000 11743.45  6358.72  ?   ?   143.748   47.165 0.000000 47.16480 
1 1 1  -71   15    7 o   36.562   16.905 -855.5174  1181.12 -1093.8870  1207.76  4369.83  5654.72   35.606   16.674  102.014   42.106 -66.40821 45.28698 
1 1 1  -71   15    8 o  100.185   22.580  4601.32  1792.83  4601.32  1792.83   0.0000   0.0000  100.185   22.580  ?   ?  0.000000 22.57974 
1 1 1  -71   15    9 o   57.830   10.132  1424.47  458.431   0.0000   0.0000  1424.47  458.431  ?   ?    57.830   10.132 0.000000 10.13225 
1 1 1  -71   15   10 o  102.735   7.3362  4360.17  607.945  2135.12  2011.84  4583.77  637.761   70.809   26.279  105.307   7.5079 -34.49754 27.33056 
1 1 1  -71   15   11 o   80.066   7.4975  2663.84  481.747  1106.08  1880.26  2773.28  498.383   60.040   24.472   81.683   7.6017 -21.64295 25.62501 
1 1 1  -71   15   12 o   40.957   10.107  729.564  334.052  1691.99  1599.48  685.670  341.585   62.808   23.407   39.710   10.452 23.09761 25.63486 
1 1 1  -71   15   13 o  111.133   8.1898  5162.56  733.807  2819.31  2319.64  5423.14  773.532   74.455   28.100  113.821   8.4298 -39.36531 29.33687 
1 1 1  -71   15   14 o  115.507   8.7187  5623.99  811.682  4870.70  2519.16  5711.25  857.407   90.447   29.687  116.183   9.1632 -25.73627 31.06913 
1 1 1  -71   15   15 o   78.434   8.6802  2624.09  543.538  5086.16  2070.82  2441.92  563.288   94.060   26.162   75.316   9.4167 18.74368 27.80541 
1 1 1  -71   15   16 o   58.736   9.9086  1522.75  455.745  4260.48  2072.98  1383.70  467.175   81.252   26.943   55.557   10.745 25.69571 29.00628 
1 1 1  -71   15   17 o   34.137   12.011  499.698  413.119  2599.28  2198.17  422.823  420.614   61.451   25.871   32.552   12.029 28.89915 28.53045 
1 1 1  -71   15   18 o   75.522   13.972  2838.95  825.202  6748.30  2638.20  2414.98  868.796   82.131   30.163   67.371   16.101 14.75984 34.19115 
1 1 1  -71   15   19 o   41.585   13.793  918.529  543.297   8.9389  2648.76  958.478  555.100   42.411   20.964   42.328   13.938 0.8204651E-01 25.17440 
1 1 1  -71   17    1 o  114.762   36.558  6416.86  3837.72   0.0000   0.0000  6416.86  3837.72  ?   ?   114.762   36.558 0.000000 36.55850 
1 1 1  -71   17    2 o  176.041   38.996 15538.49  5427.29   0.0000   0.0000 15538.49  5427.29  ?   ?   176.041   38.996 0.000000 38.99635 
1 1 1  -71   17    3 o  124.444   41.800  8034.08  4986.88   0.0000   0.0000  8034.08  4986.88  ?   ?   124.444   41.800 0.000000 41.79959 
1 1 1  -71   17    4 o  147.371   44.891 12001.51  5855.50   0.0000   0.0000 12001.51  5855.50  ?   ?   147.371   44.891 0.000000 44.89061 
1 1 1  -71   17    5 o  181.626   46.439 18586.19  6875.21   0.0000   0.0000 18586.19  6875.21  ?   ?   181.626   46.439 0.000000 46.43896 
1 1 1  -71   17    6 o  109.459   43.849  6021.20  5920.94   0.0000   0.0000  6021.20  5920.94  ?   ?   109.459   43.849 0.000000 43.84872 
1 1 1  -71   17    7 o   57.807   21.762  1207.41  1389.26  1272.06  1424.00 -69.3688  6328.17   58.848   22.056   86.214   39.597 -27.36551 45.32493 
1 1 1  -71   17    8 o   55.088   9.6004  1290.36  413.811  1145.45  1497.78  1302.34  430.571   57.867   22.393   55.263   9.9621 2.603886 24.50894 
1 1 1  -71   17    9 o  171.457   14.566 12611.24  2008.67   0.0000   0.0000 12611.24  2008.67  ?   ?   171.457   14.566 0.000000 14.56619 
1 1 1  -71   17   10 o   63.237   7.0649  1664.80  356.556  4050.20  1770.46  1563.96  364.014   91.558   23.649   61.173   7.4847 30.38423 24.80495 
1 1 1  -71   17   11 o   23.147   8.9757  145.596  241.022 -14.4398  1712.63  148.830  243.445   49.286   21.778   23.305   9.0253 25.98127 23.57385 
1 1 1  -71   17   12 o   23.928   9.4534  140.854  271.556 -1745.5000  1672.69  191.917  275.207   38.933   18.633   25.259   9.6436 13.67472 20.98026 
1 1 1  -71   17   13 o   77.020   8.2972  2503.99  510.697  2404.13  2235.62  2509.49  524.567   69.316   27.207   77.023   8.5310 -7.706116 28.51331 
1 1 1  -71   17   14 o   28.735   10.553  296.547  322.965 -5886.4751  2291.49  421.858  326.222   34.498   17.403   31.966   10.691 2.531803 20.42473 
1 1 1  -71   17   15 o   59.791   11.193  1602.84  523.444  2694.74  2670.93  1559.23  533.795   66.610   28.304   58.759   11.600 7.851208 30.58892 
1 1 1  -71   17   16 o   71.956   10.245  2305.03  581.661  162.185  2614.94  2416.57  596.608   50.863   24.039   73.699   10.247 -22.83663 26.13221 
1 1 1  -71   17   17 o   51.419   15.249  1368.58  682.383 -2241.9600  3085.02  1554.32  699.715   43.759   21.798   54.858   15.190 -11.09905 26.56860 
1 1 1  -71   17   18 o   44.521   15.743  1090.00  710.577  2454.17  2723.88  990.390  736.064   51.413   24.369   42.820   15.895 8.593056 29.09445 
1 1 1  -71   19    1 o  114.171   36.188  6538.60  3763.89   0.0000   0.0000  6538.60  3763.89  ?   ?   114.171   36.188 0.000000 36.18763 
1 1 1  -71   19    2 o   87.871   36.317  2545.47  4215.04   0.0000   0.0000  2545.47  4215.04  ?   ?    87.871   36.317 0.000000 36.31729 
1 1 1  -71   19    3 o  230.465   44.584 28953.21  8041.38   0.0000   0.0000 28953.21  8041.38  ?   ?   230.465   44.584 0.000000 44.58434 
1 1 1  -71   19    4 o  219.030   44.791 26636.65  7697.10   0.0000   0.0000 26636.65  7697.10  ?   ?   219.030   44.791 0.000000 44.79071 
1 1 1  -71   19    5 o  115.016   44.987  7453.62  6095.02   0.0000   0.0000  7453.62  6095.02  ?   ?   115.016   44.987 0.000000 44.98675 
1 1 1  -71   19    6 o  133.618   49.488 11956.58  7127.59   0.0000   0.0000 11956.58  7127.59  ?   ?   133.618   49.488 0.000000 49.48840 
1 1 1  -71   19    7 o   60.055   24.270  1064.31  1831.38  994.270  1895.06  2054.23  7124.66   60.064   24.534   92.734   42.377 -32.66977 48.96668 
1 1 1  -71   19    8 o   21.108   8.6940   59.702  240.444 -310.7759  1549.64   68.841  243.392   45.780   20.443   21.426   8.7768 24.35398 22.24719 
1 1 1  -71   19    9 o   66.873   11.635  1931.67  608.843   0.0000   0.0000  1931.67  608.843  ?   ?    66.873   11.635 0.000000 11.63548 
1 1 1  -71   19   10 o   58.431   12.297  1500.51  564.941  2858.65  2298.07  1413.15  582.827   76.254   28.129   56.483   12.981 19.77181 30.97929 
1 1 1  -71   19   11 o   63.913   8.2108  1724.32  416.247  503.116  2458.09  1760.37  422.346   58.927   26.061   64.578   8.2426 -5.651749 27.33368 
1 1 1  -71   19   12 o   23.966   9.4671  144.406  272.304  2686.56  2079.85  100.070  274.669   71.649   26.694   23.040   9.3676 48.60922 28.29004 
1 1 1  -71   19   13 o  100.890   8.4409  4305.42  685.117  453.350  2811.46  4548.61  706.412   58.137   26.587  103.706   8.4629 -45.56929 27.90187 
1 1 1  -71   19   14 o   48.356   11.128  1055.47  427.858  2421.61  2600.71  1017.47  433.768   65.270   27.837   47.368   11.413 17.90224 30.08544 
1 1 1  -71   19   15 o   18.192   8.8990 -764.6141  438.515 -1843.9130  2234.23 -721.3711  447.214   41.712   20.335   18.756   9.1338 22.95567 22.29238 
1 1 1  -71   19   16 o   23.116   10.967 -513.4995  554.115  2827.86  2931.62 -637.2960  564.287   59.084   27.068   22.441   10.762 36.64247 29.12865 
1 1 1  -71   19   17 o   29.503   13.062   63.204  619.016 -3197.8391  2678.78  247.162  636.236   37.858   19.062   31.928   13.696 5.929560 23.47259 
1 1 1  -71   21    1 o  141.677   39.977 10962.03  4799.04   0.0000   0.0000 10962.03  4799.04  ?   ?   141.677   39.977 0.000000 39.97696 
1 1 1  -71   21    2 o  139.474   45.366 11647.85  5887.57   0.0000   0.0000 11647.85  5887.57  ?   ?   139.474   45.366 0.000000 45.36552 
1 1 1  -71   21    3 o  162.247   48.250 16492.99  6824.61   0.0000   0.0000 16492.99  6824.61  ?   ?   162.247   48.250 0.000000 48.24998 
1 1 1  -71   21    4 o   93.397   39.399  3619.58  5114.65   0.0000   0.0000  3619.58  5114.65  ?   ?    93.397   39.399 0.000000 39.39885 
1 1 1  -71   21    5 o  111.776   46.509  7728.58  6979.73   0.0000   0.0000  7728.58  6979.73  ?   ?   111.776   46.509 0.000000 46.50910 
1 1 1  -71   21    6 f  153.408   55.231 19473.37  8783.69   0.0000   0.0000 19473.37  8783.69  ?   ?   153.408   55.231 0.000000 55.23054 
1 1 1  -71   21    7 o   97.270   10.429  3993.03  810.852  4654.31  3273.73  3949.81  836.930   93.190   33.694   96.584   10.860 -3.394386 35.40118 
1 1 1  -71   21    8 o  104.042   11.129  4600.38  925.617  5572.04  3160.92  4509.25  968.052   99.437   33.279  102.705   11.824 -3.267517 35.31732 
1 1 1  -71   21    9 o   91.529   12.832  3643.00  927.449 -3346.6919  2953.55  4407.60  976.860   48.881   23.728  101.146   12.137 -52.26534 26.65180 
1 1 1  -71   21   10 o   89.005   12.774  3468.30  896.716  3992.21  3458.57  3430.54  928.466   83.062   33.428   88.211   13.383 -5.148857 36.00782 
1 1 1  -71   21   11 o   52.685   14.683  1272.29  651.593 -288.8441  3054.06  1346.74  666.950   57.989   26.942   54.139   14.764 3.850487 30.72200 
1 1 1  -71   21   12 o   62.013   15.389  1809.72  771.173  2997.52  3028.00  1727.33  797.469   71.731   30.290   60.294   16.018 11.43638 34.26428 
1 1 1  -71   21   13 o  129.409   14.686  7748.84  1515.80  5050.48  4080.66  8180.77  1632.62   76.786   33.787  132.084   15.519 -55.29853 37.18009 
1 1 1  -71   21   14 f   56.842   16.245  1625.89  787.239  179.284  3328.19  1711.62  810.231   54.340   26.079   58.204   16.427 -3.864189 30.82128 
1 1 1  -71   21   15 o   42.672   16.489  841.519  811.139  1827.92  3015.71  764.593  842.174   55.396   26.070   41.813   16.607 13.58319 30.91010 
1 1 1  -71   21   16 o   56.432   17.742  1860.12  906.319  2654.32  3830.61  1813.02  932.804   52.967   25.991   55.333   18.060 -2.365181 31.64994 
1 1 1  -71   23    1 o  154.892   43.888 14547.88  5771.48   0.0000   0.0000 14547.88  5771.48  ?   ?   154.892   43.888 0.000000 43.88778 
1 1 1  -71   23    2 o  116.008   45.238  8606.27  6148.84   0.0000   0.0000  8606.27  6148.84  ?   ?   116.008   45.238 0.000000 45.23751 
1 1 1  -71   23    3 o   82.121   37.456  822.140  5532.98   0.0000   0.0000  822.140  5532.98  ?   ?    82.121   37.456 0.000000 37.45599 
1 1 1  -71   23    4 o  105.583   44.952  7019.25  6761.20   0.0000   0.0000  7019.25  6761.20  ?   ?   105.583   44.952 0.000000 44.95243 
1 1 1  -71   23    5 o  149.456   55.509 20403.44  8979.86   0.0000   0.0000 20403.44  8979.86  ?   ?   149.456   55.509 0.000000 55.50945 
1 1 1  -71   23    6 o   20.025   7.9126   93.725  190.276   0.0000   0.0000   93.725  190.276  ?   ?    20.025   7.9126 0.000000 7.912629 
1 1 1  -71   23    7 o   29.641   11.001  296.461  352.544  1005.04  3784.61  290.258  354.084   70.712   31.735   29.534   11.012 41.17762 33.59098 
1 1 1  -71   23    8 o  113.120   13.161  5576.74  1186.22  1521.25  4532.35  5874.96  1229.06   74.377   33.915  116.066   13.281 -41.68916 36.42237 
1 1 1  -71   23    9 o  120.537   13.571  6398.21  1305.15  8736.19  4943.06  6223.01  1353.17  104.171   40.577  118.307   14.382 -14.13671 43.05067 
1 1 1  -71   23   10 o   68.748   14.869  2178.82  805.882  1655.10  3233.63  2213.50  832.139   66.513   29.628   69.114   15.238 -2.600723 33.31714 
1 1 1  -71   23   11 o   61.053   28.955  160.889  3856.37  160.889  3856.37   0.0000   0.0000   61.053   28.955  ?   ?  0.000000 28.95515 
1 1 1  -71   23   12 o   85.740   8.9283  3164.69  612.455  3032.05  4467.25  3167.23  618.294   67.767   31.840   85.727   9.0178 -17.95921 33.09259 
1 1 1  -71   23   13 o   34.324   14.291  298.471  659.620  2618.34  3899.02  230.118  669.267   62.099   29.351   33.603   14.218 28.49630 32.61343 
1 1 1  -71   23   14 o   27.006   12.450 -276.8586  633.832  758.959  4103.67 -302.1734  641.531   53.500   26.379   26.952   12.461 26.54795 29.17447 
1 1 1  -71   23   15 o   43.431   17.287  981.974  914.329 -4009.7451  4603.35  1186.99  932.916   44.266   22.568   46.080   17.717 -1.813679 28.69127 
1 1 1  -71   25    1 o   93.625   40.411  4639.75  5604.38   0.0000   0.0000  4639.75  5604.38  ?   ?    93.625   40.411 0.000000 40.41055 
1 1 1  -71   25    2 o   78.979   35.622  1497.34  4837.15   0.0000   0.0000  1497.34  4837.15  ?   ?    78.979   35.622 0.000000 35.62238 
1 1 1  -71   25    6 o  116.868   12.871  5939.96  1201.11   0.0000   0.0000  5939.96  1201.11  ?   ?   116.868   12.871 0.000000 12.87092 
1 1 1  -71   25    7 o   39.832   12.933  678.169  478.583   0.0000   0.0000  678.169  478.583  ?   ?    39.832   12.933 0.000000 12.93305 
1 1 1  -71   25    8 o   30.817   13.017  108.964  559.469   0.0000   0.0000  108.964  559.469  ?   ?    30.817   13.017 0.000000 13.01696 
1 1 1  -71   25    9 o   89.956   15.338  3748.04  1080.10  235.662  5500.34  3888.92  1101.55   67.057   32.512   91.659   15.343 -24.60136 35.95061 
1 1 1  -71   25   10 o   36.913   14.550  453.767  641.893  3724.68  5547.44  409.380  646.234   71.579   34.167   36.309   14.507 35.27073 37.11917 
1 1 1  -71   25   11 o   74.625   35.161  6843.81  5515.55  6843.81  5515.55   0.0000   0.0000   74.625   35.161  ?   ?  0.000000 35.16071 
1 1 1  -71   25   12 o   65.897   18.234  2333.90  1008.64  2701.46  4748.12  2316.53  1032.20   60.778   29.634   65.309   18.579 -4.531429 34.97635 
1 1 1  -71   25   13 o   32.206   14.460  -7.5356  786.662 -845.4528  5113.85   12.773  796.138   51.397   25.937   32.547   14.585 18.84925 29.75640 
1 1 1  -71   27    4 o   83.221   39.481  4097.79  7180.49   0.0000   0.0000  4097.79  7180.49  ?   ?    83.221   39.481 0.000000 39.48054 
1 1 1  -71   27    5 o   67.589   33.931 -6216.2998  8163.22   0.0000   0.0000 -6216.2998  8163.22  ?   ?    67.589   33.931 0.000000 33.93053 
1 1 1  -71   27    6 o  103.650   14.054  4835.51  1152.26   0.0000   0.0000  4835.51  1152.26  ?   ?   103.650   14.054 0.000000 14.05359 
1 1 1  -71   27    7 o   57.814   15.054  1574.45  713.648   0.0000   0.0000  1574.45  713.648  ?   ?    57.814   15.054 0.000000 15.05428 
1 1 1  -71   27    8 o   87.357   16.300  3656.12  1113.64   0.0000   0.0000  3656.12  1113.64  ?   ?    87.357   16.300 0.000000 16.29976 
1 1 1  -71   27    9 o   41.904   16.023  721.217  760.506  4294.02  6588.54  672.971  765.623   68.658   33.770   41.248   15.997 27.41013 37.36711 
1 1 1  -71   27   10 o   26.045   12.085 -364.5649  611.536  3975.72  6326.44 -405.5023  614.414   64.105   31.813   25.762   12.007 38.34276 34.00356 
1 1 1  -71   27   11 o   22.946   11.095 -807.5458  629.841 -1689.1281  7020.77 -800.3932  632.391   54.427   27.759   23.052   11.140 31.37429 29.91039 
1 1 1  -71   27   12 o   31.832   14.485 -74.3945  821.258  1222.96  7067.78 -92.1510  826.859   52.730   26.972   31.769   14.486 20.96039 30.61566 
1 1 1  -71   29    1 o   68.285   33.035  125.091  5601.00   0.0000   0.0000  125.091  5601.00  ?   ?    68.285   33.035 0.000000 33.03463 
1 1 1  -71   29    2 o   65.600   32.713 -3365.8601  7026.72   0.0000   0.0000 -3365.8601  7026.72  ?   ?    65.600   32.713 0.000000 32.71330 
1 1 1  -71   29    3 o   66.687   32.829 -767.1093  6272.41   0.0000   0.0000 -767.1093  6272.41  ?   ?    66.687   32.829 0.000000 32.82923 
1 1 1  -71   29    4 o   37.571   19.166 -10387.2500  3359.82   0.0000   0.0000 -10387.2500  3359.82  ?   ?    37.571   19.166 0.000000 19.16571 
1 1 1  -71   29    5 o   66.503   33.416 -735.8134  8009.14   0.0000   0.0000 -735.8134  8009.14  ?   ?    66.503   33.416 0.000000 33.41599 
1 1 1  -71   29    6 o   68.258   34.568  2667.36  9584.66   0.0000   0.0000  2667.36  9584.66  ?   ?    68.258   34.568 0.000000 34.56849 
1 1 1  -71   29    7 o   48.038   24.603 -12519.5400  6065.12   0.0000   0.0000 -12519.5400  6065.12  ?   ?    48.038   24.603 0.000000 24.60334 
1 1 1  -71   29    8 o   55.665   28.608 -7800.8862  9088.16   0.0000   0.0000 -7800.8862  9088.16  ?   ?    55.665   28.608 0.000000 28.60764 
1 1 1  -71   29    9 o   63.152   32.747 29358.76 17980.58   0.0000   0.0000 29358.76 17980.58  ?   ?    63.152   32.747 0.000000 32.74736 
1 1 1  -71   31    2 o   84.775   41.128 17890.41  8838.59   0.0000   0.0000 17890.41  8838.59  ?   ?    84.775   41.128 0.000000 41.12761 
1 1 1  -71   31    3 o   65.264   32.888  2904.37  8060.53   0.0000   0.0000  2904.37  8060.53  ?   ?    65.264   32.888 0.000000 32.88763 
1 1 1  -70    0    1 o  106.731   28.520  5578.17  2135.71  5578.17  2135.71   0.0000   0.0000  106.731   28.520  106.731   28.520 0.000000 0.000000 
1 1 1  -70    0    2 o  127.212   29.192  7623.19  2625.79   0.0000   0.0000  7623.19  2625.79  127.212   29.192  127.212   29.192 -0.000000 0.000000 
1 1 1  -70    0    3 o  326.693   18.777 44128.64  4943.19 44128.64  4943.19   0.0000   0.0000  326.693   18.777  326.693   18.777 0.000000 0.000000 
1 1 1  -70    0    4 o  349.604   22.625 50867.36  6360.84 50867.36  6360.84   0.0000   0.0000  349.604   22.625  349.604   22.625 0.000000 0.000000 
1 1 1  -70    0    5 o  357.590   26.101 53639.98  7485.79 53639.98  7485.79   0.0000   0.0000  357.590   26.101  357.590   26.101 0.000000 0.000000 
1 1 1  -70    0    6 o  170.045   14.703 12068.47  1995.14 12068.47  1995.14   0.0000   0.0000  170.045   14.703  170.045   14.703 0.000000 0.000000 
1 1 1  -70    0    7 o  147.895   14.137  9172.69  1661.99   0.0000   0.0000  9172.69  1661.99  147.895   14.137  147.895   14.137 -0.000000 0.000000 
1 1 1  -70    0    8 o   60.648   16.984  1814.89  723.795   0.0000   0.0000  1814.89  723.795   60.648   16.984   60.648   16.984 -0.000000 0.000000 
1 1 1  -70    0    9 o   37.492   17.958  847.449  629.195   0.0000   0.0000  847.449  629.195   37.492   17.958   37.492   17.958 -0.000000 0.000000 
1 1 1  -70    0   10 o  112.466   15.385  5466.25  1330.37  5466.25  1330.37   0.0000   0.0000  112.466   15.385  112.466   15.385 0.000000 0.000000 
1 1 1  -70    0   11 o   31.409   18.467  477.082  798.108  477.082  798.108   0.0000   0.0000   31.409   18.467   31.409   18.467 0.000000 0.000000 
1 1 1  -70    0   12 o   14.892   10.728 -1145.8020  646.192 -1145.8020  646.192   0.0000   0.0000   14.892   10.728   14.892   10.728 0.000000 0.000000 
1 1 1  -70    0   13 o   73.960   21.759  2781.72  1135.48  2781.72  1135.48   0.0000   0.0000   73.960   21.759   73.960   21.759 0.000000 0.000000 
1 1 1  -70    0   14 o   80.771   22.457  3272.71  1274.08  3272.71  1274.08   0.0000   0.0000   80.771   22.457   80.771   22.457 0.000000 0.000000 
1 1 1  -70    0   15 o   78.669   24.560  3256.15  1375.73   0.0000   0.0000  3256.15  1375.73   78.669   24.560   78.669   24.560 -0.000000 0.000000 
1 1 1  -70    0   16 o  193.240   19.791 16233.93  3030.60 16233.93  3030.60   0.0000   0.0000  193.240   19.791  193.240   19.791 0.000000 0.000000 
1 1 1  -70    0   17 o  103.365   23.554  5183.65  1722.79   0.0000   0.0000  5183.65  1722.79  103.365   23.554  103.365   23.554 -0.000000 0.000000 
1 1 1  -70    0   18 o  135.757   21.184  8436.04  2165.66   0.0000   0.0000  8436.04  2165.66  135.757   21.184  135.757   21.184 -0.000000 0.000000 
1 1 1  -70    0   19 o   39.203   23.674  802.805  1379.27   0.0000   0.0000  802.805  1379.27   39.203   23.674   39.203   23.674 -0.000000 0.000000 
1 1 1  -70    0   20 o   45.977   24.973  1445.83  1313.27  1445.83  1313.27   0.0000   0.0000   45.977   24.973   45.977   24.973 0.000000 0.000000 
1 1 1  -70    0   21 o   45.515   27.185  1436.79  1779.18   0.0000   0.0000  1436.79  1779.18   45.515   27.185   45.515   27.185 -0.000000 0.000000 
1 1 1  -70    0   22 o   40.493   25.998  910.400  1945.62  910.400  1945.62   0.0000   0.0000   40.493   25.998   40.493   25.998 0.000000 0.000000 
1 1 1  -70    2    1 o  125.456   16.311  6569.25  1622.27  6655.35  2156.94  6457.10  2461.58  124.964   22.064  122.207   25.626 2.757530 33.81605 
1 1 1  -70    2    2 o  195.044   12.867 15626.36  2026.30 16624.04  2304.67 12228.68  4253.11  200.948   14.217  167.070   32.522 33.87755 35.49385 
1 1 1  -70    2    3 o  294.185   15.968 35661.04  3800.00 37158.46  4432.57 31508.93  7381.04  299.631   18.307  269.259   34.558 30.37231 39.10777 
1 1 1  -70    2    4 o  495.415   22.157 102112.20  8912.85 99294.91 16269.13 103320.40 10653.87  471.664   42.952  495.070   26.601 -23.40573 50.52173 
1 1 1  -70    2    5 o  130.589   11.780  7031.58  1235.68   0.0000   0.0000  7031.58  1235.68  ?   ?   130.589   11.780 0.000000 11.78046 
1 1 1  -70    2    6 o  139.047   9.1456  7922.94  1026.79  7419.54  1518.33  8347.17  1393.83  133.640   14.210  142.237   12.186 -8.597763 18.72012 
1 1 1  -70    2    7 o  457.648   23.418 88487.04  8672.73 86070.51 12325.37 90856.86 12205.68  441.261   34.680  454.871   33.278 -13.61014 48.06399 
1 1 1  -70    2    8 o  132.755   9.4289  7242.82  1009.76  8359.53  1515.62  6351.54  1354.02  141.867   13.313  123.396   13.748 18.47105 19.13753 
1 1 1  -70    2    9 o  365.979   19.231 56514.46  5694.77 54924.21  8105.01 58065.00  8003.18  352.932   28.527  364.164   27.264 -11.23166 39.46023 
1 1 1  -70    2   10 o   69.458   11.080  2034.82  603.894  2729.97  929.259  1526.61  794.546   79.737   14.901   59.396   16.080 20.34088 21.92286 
1 1 1  -70    2   11 o   76.833   11.100  2487.60  672.427  1876.98  1034.29  2934.64  884.981   65.416   18.594   82.895   13.622 -17.47853 23.04973 
1 1 1  -70    2   12 o  145.198   11.132  8795.86  1302.42  9743.27  1904.72  7963.89  1784.91  150.892   15.780  135.945   16.509 14.94609 22.83734 
1 1 1  -70    2   13 o  196.457   12.748 16271.54  2022.53 16669.37  2923.70 15906.45  2800.84  194.802   18.715  190.552   18.329 4.249588 26.19483 
1 1 1  -70    2   14 o  187.102   12.743 14860.61  1924.34 15334.91  2789.39 14429.88  2658.20  185.488   18.779  180.185   18.428 5.302460 26.31099 
1 1 1  -70    2   15 o  111.319   12.060  5307.87  1072.62  7210.80  1634.66  3869.01  1421.43  127.495   16.153   90.908   19.816 36.58707 25.56544 
1 1 1  -70    2   16 o   48.245   15.991  1016.18  730.294  1357.85  997.385  621.283  1072.26   55.007   18.692   46.005   18.578 9.001171 26.35456 
1 1 1  -70    2   17 o   42.414   16.715  602.918  847.024  1282.61  1194.16 -85.2970  1201.62   54.058   20.210   40.555   18.063 13.50275 27.10576 
1 1 1  -70    2   18 o   34.781   15.517 -100.3188  890.622 -443.0127  1274.77  226.460  1244.82   38.354   17.673   42.775   18.745 -4.421635 25.76270 
1 1 1  -70    2   19 o   62.827   19.020  2112.14  1053.54  2779.24  1439.54  1342.71  1546.02   68.746   22.436   52.941   21.947 15.80475 31.38516 
1 1 1  -70    2   20 o   50.786   19.646  1452.68  1152.59  212.379  1751.95  2399.16  1530.42   43.775   20.360   59.812   22.764 -16.03779 30.54061 
1 1 1  -70    2   21 f   38.433   17.133  493.739  1083.53 -650.5331  1507.52  1716.61  1558.43   35.441   17.144   49.029   21.236 -13.58863 27.29199 
1 1 1  -70    2   22 o   34.798   17.275 -724.2633  1871.51 -724.2633  1871.51   0.0000   0.0000   34.798   17.275  ?   ?  0.000000 17.27483 
1 1 1  -70    4    1 o  115.177   8.8035  5436.18  817.071  5211.01  879.808  6848.23  2203.23  112.636   9.7150  126.707   22.226 -14.07039 24.25615 
1 1 1  -70    4    2 o   68.615   9.2531  1953.46  502.375  1789.78  521.133  4105.02  1889.43   65.481   10.128   97.353   24.044 -31.87148 26.09066 
1 1 1  -70    4    3 o  133.057   10.794  7275.73  1156.16  7503.73  1256.60  6018.21  2951.18  135.019   11.574  116.931   30.694 18.08741 32.80376 
1 1 1  -70    4    4 o  207.770   13.909 17781.50  2332.97 18642.74  2606.98 14318.46  5227.63  212.470   15.212  178.547   37.263 33.92302 40.24869 
1 1 1  -70    4    5 o   40.009   9.2539  679.159  294.636  237.076  492.487  925.589  367.697   32.266   12.736   46.733   9.9927 -14.46674 16.18842 
1 1 1  -70    4    6 o  220.625   16.858 20232.04  2997.15   0.0000   0.0000 20232.04  2997.15  ?   ?   220.625   16.858 0.000000 16.85833 
1 1 1  -70    4    7 o  283.144   15.308 33200.93  3506.39 31093.08  5088.34 35106.98  4838.64  270.454   23.402  288.835   20.770 -18.38116 31.28966 
1 1 1  -70    4    8 o  224.324   12.716 20780.61  2306.58 20339.10  3405.21 21154.95  3135.46  219.533   19.299  224.743   17.316 -5.210251 25.92850 
1 1 1  -70    4    9 o   73.369   9.5517  2242.32  555.533  1450.14  986.059  2610.69  672.401   58.874   18.506   79.012   10.761 -20.13828 21.40676 
1 1 1  -70    4   10 f  250.565   14.123 26210.85  2861.66 26432.38  4179.18 26015.28  3926.62  247.588   20.986  246.405   19.793 1.183380 28.84745 
1 1 1  -70    4   11 o  202.733   12.436 17142.31  2037.27 16518.79  3007.75 17670.88  2769.26  195.469   19.198  203.593   16.905 -8.123566 25.58027 
1 1 1  -70    4   12 o  249.611   14.380 26333.85  2902.24 26762.02  4222.26 25950.36  3995.85  245.938   21.356  242.990   20.443 2.948730 29.56293 
1 1 1  -70    4   13 o  147.310   11.426  9111.21  1355.98  7743.68  2028.73 10215.46  1823.01  131.626   19.578  154.404   14.719 -22.77724 24.49416 
1 1 1  -70    4   14 o  171.486   12.042 12446.19  1666.10 12841.86  2478.14 12119.82  2250.70  169.866   18.254  165.982   16.937 3.883484 24.90117 
1 1 1  -70    4   15 o   47.006   14.857  959.597  634.756  1163.41  997.833  821.057  822.673   52.672   18.652   46.118   16.857 6.554752 25.14101 
1 1 1  -70    4   16 o   62.843   15.571  1814.17  790.490  1369.64  1367.39  2037.30  968.779   56.956   21.555   65.794   17.733 -8.837276 27.91205 
1 1 1  -70    4   17 o   45.437   17.136  816.474  862.310 -109.0935  1394.76  1389.15  1097.11   42.979   19.278   54.871   19.544 -11.89212 27.45243 
1 1 1  -70    4   18 o   32.786   14.366   6.5809  730.878  1817.46  1184.51 -1106.7490  928.762   59.484   20.370   28.408   13.670 31.07537 24.53174 
1 1 1  -70    4   19 o   50.969   10.956  1185.80  439.929 -322.8581  1647.24  1301.67  456.511   42.121   19.641   53.498   10.880 -11.37716 22.45337 
1 1 1  -70    4   20 o  101.909   9.6651  4640.12  790.190  2424.06  2169.28  4979.15  848.484   56.931   24.852  105.201   10.056 -48.27018 26.80904 
1 1 1  -70    4   21 o   94.728   9.8417  4146.28  745.936  5536.52  2236.07  3972.19  791.262   71.519   27.445   91.545   10.857 -20.02624 29.51430 
1 1 1  -70    6    1 o  227.602   18.305 21512.93  3354.27 21512.93  3354.27   0.0000   0.0000  227.602   18.305  ?   ?  0.000000 18.30506 
1 1 1  -70    6    2 o  207.892   14.538 17819.34  2438.58 17819.34  2438.58   0.0000   0.0000  207.892   14.538  ?   ?  0.000000 14.53798 
1 1 1  -70    6    3 o  271.990   18.414 30710.29  4042.72 30710.29  4042.72   0.0000   0.0000  271.990   18.414  ?   ?  0.000000 18.41402 
1 1 1  -70    6    4 o  382.142   18.480 60444.45  5734.20 54560.18  6761.05 75523.91 10823.33  360.397   23.228  418.134   32.125 -57.73727 39.64273 
1 1 1  -70    6    5 o  293.059   17.331 35638.15  4105.71 30913.99  4905.74 46684.01  7501.39  270.847   22.511  329.934   28.274 -59.08701 36.14120 
1 1 1  -70    6    6 o  239.596   14.021 23704.39  2715.87 19158.66  4008.35 27562.34  3692.68  211.943   23.698  257.144   17.795 -45.20126 29.63535 
1 1 1  -70    6    7 o   31.455   11.069  356.436  350.891   0.0000   0.0000  356.436  350.891  ?   ?    31.455   11.069 0.000000 11.06905 
1 1 1  -70    6    8 o   66.604   8.8939  1845.98  468.973  1264.78  934.887  2041.41  542.117   55.682   18.076   69.926   9.8186 -14.24469 20.57038 
1 1 1  -70    6    9 o  280.549   14.934 32850.49  3389.56 34783.71  4962.92 31160.35  4640.43  284.523   21.645  269.398   21.390 15.12555 30.43075 
1 1 1  -70    6   10 o   82.008   9.5538  2800.28  624.240  1669.12  1098.09  3340.36  758.770   62.471   19.511   89.413   10.662 -26.94123 22.23408 
1 1 1  -70    6   11 o   97.754   10.219  3986.22  799.108  4174.50  1323.29  3878.16  1002.55   97.786   17.299   95.537   13.283 2.249557 21.81082 
1 1 1  -70    6   12 o   73.107   11.950  2282.41  684.828  3067.04  1171.28  1874.86  844.151   82.973   17.910   65.114   16.065 17.85911 24.05977 
1 1 1  -70    6   13 o  167.307   11.670 11770.62  1575.40 12420.38  2398.41 11277.53  2089.34  168.136   17.841  161.231   16.178 6.905045 24.08340 
1 1 1  -70    6   14 o   49.207   15.432  1049.93  686.113  879.046  1174.88  1138.37  845.214   50.987   19.804   51.623   17.208 -0.6354179 26.23596 
1 1 1  -70    6   15 o  152.038   12.167  9894.31  1489.48 10972.25  2282.76  9095.13  1965.55  155.190   18.479  142.026   17.409 13.16362 25.38787 
1 1 1  -70    6   16 o   19.816   8.9045 -127.7801  298.994  3052.22  1255.21 -319.0672  307.856   79.446   19.583   17.680   8.3230 61.76614 21.27871 
1 1 1  -70    6   17 o  128.591   9.0964  7016.77  943.636  5721.45  2160.95  7321.96  1048.93  101.102   26.133  130.822   9.9493 -29.71989 27.96314 
1 1 1  -70    6   18 o   31.292   10.771  401.103  331.357 -1286.5120  1479.79  490.189  339.991   36.486   17.478   33.710   10.897 2.775917 20.59653 
1 1 1  -70    6   19 o   43.512   10.480  865.384  365.860 -427.5053  1674.14  930.227  374.923   41.512   19.500   45.155   10.435 -3.642902 22.11686 
1 1 1  -70    6   20 o   38.814   12.385  723.542  440.331  3443.87  1822.51  554.902  453.774   66.131   24.919   35.085   12.562 31.04600 27.90624 
1 1 1  -70    6   21 o   23.740   10.671 -54.3787  429.820 -1263.1021  1892.63   11.352  441.352   35.599   17.619   24.853   11.015 10.74563 20.77894 
1 1 1  -70    8    1 o   77.693   27.673  2253.23  2199.56   0.0000   0.0000  2253.23  2199.56  ?   ?    77.693   27.673 0.000000 27.67328 
1 1 1  -70    8    2 o  211.306   29.711 19356.34  4956.75   0.0000   0.0000 19356.34  4956.75  ?   ?   211.306   29.711 0.000000 29.71062 
1 1 1  -70    8    3 o  366.157   35.164 58894.51 10325.99   0.0000   0.0000 58894.51 10325.99  ?   ?   366.157   35.164 0.000000 35.16416 
1 1 1  -70    8    4 o  240.480   13.472 23825.08  2620.07 18851.83  2954.16 42157.18  5671.79  212.795   17.246  316.535   22.208 -103.7400 28.11829 
1 1 1  -70    8    5 o   84.848   13.623  3032.57  906.795  2851.10  935.850  5819.68  3667.60   82.009   14.589  114.133   35.660 -32.12409 38.52844 
1 1 1  -70    8    6 o   42.645   14.001  720.109  560.311  720.109  560.311   0.0000   0.0000   42.645   14.001  ?   ?  0.000000 14.00106 
1 1 1  -70    8    7 o  260.523   14.341 28155.74  3021.86 27263.92  4489.14 28894.70  4086.31  252.698   22.101  261.663   19.371 -8.965530 29.38851 
1 1 1  -70    8    8 o  403.531   21.536 69566.44  7030.95 66632.77 10146.13 72276.68  9752.11  382.456   32.995  402.036   30.092 -19.58026 44.65700 
1 1 1  -70    8    9 o  240.148   13.646 24037.08  2649.92 23303.77  3970.15 24626.25  3558.64  232.203   21.294  240.598   18.354 -8.395294 28.11296 
1 1 1  -70    8   10 o  395.563   21.959 68276.11  7025.29 63004.37 10135.22 73151.40  9746.68  361.401   34.976  397.060   30.464 -35.65878 46.38301 
1 1 1  -70    8   11 o  167.905   11.410 11758.01  1546.36 10255.07  2444.45 12760.75  1996.66  152.490   20.243  173.672   14.286 -21.18111 24.77600 
1 1 1  -70    8   12 o   89.001   10.667  3334.88  755.529  3495.57  1319.85  3256.55  921.433   88.099   19.009   87.038   13.474 1.061699 23.29944 
1 1 1  -70    8   13 o  167.245   12.207 11825.39  1646.21 10335.48  2558.61 12877.84  2150.42  150.199   21.601  172.510   15.518 -22.31100 26.59747 
1 1 1  -70    8   14 o   33.354   10.685  458.957  327.502  2135.16  1309.09  347.043  338.258   67.637   21.331   30.610   10.858 37.02773 23.93554 
1 1 1  -70    8   15 o  103.399   8.3345  4472.27  693.796  4471.82  1686.06  4472.36  761.230   95.601   22.154  103.075   9.1919 -7.473915 23.98512 
1 1 1  -70    8   16 o  104.849   8.4862  4626.56  716.267  1221.54  1828.30  5243.92  778.496   57.883   23.921  111.584   8.6603 -53.70096 25.44007 
1 1 1  -70    8   17 o   20.414   8.7392   5.2827  258.099 -335.0417  1430.33   16.737  262.406   41.517   18.978   20.796   8.8550 20.72038 20.94213 
1 1 1  -70    8   18 o   26.951   10.627  208.695  342.557 -81.0375  1542.80  223.720  351.327   43.263   19.750   27.466   10.784 15.79627 22.50268 
1 1 1  -70    8   19 o   30.095   11.197  348.289  365.667 -1150.2220  1690.71  421.825  374.532   38.026   18.335   31.888   11.413 6.138458 21.59713 
1 1 1  -70    8   20 o   53.980   11.729  1404.52  499.388  2405.67  1984.34  1336.82  515.995   54.976   23.887   52.169   12.369 2.807674 26.89944 
1 1 1  -70    8   21 o   36.268   12.328  669.169  433.813  1932.98  2108.19  613.289  443.299   46.565   21.877   35.027   12.429 11.53875 25.16101 
1 1 1  -70   10    1 o  211.524   28.610 19437.36  4787.78   0.0000   0.0000 19437.36  4787.78  ?   ?   211.524   28.610 0.000000 28.61047 
1 1 1  -70   10    2 o  264.598   30.485 30534.65  6429.82   0.0000   0.0000 30534.65  6429.82  ?   ?   264.598   30.485 0.000000 30.48522 
1 1 1  -70   10    3 o  284.427   32.720 35694.00  7418.79   0.0000   0.0000 35694.00  7418.79  ?   ?   284.427   32.720 0.000000 32.71973 
1 1 1  -70   10    4 o   37.785   18.984 -7496.8950  2580.87   0.0000   0.0000 -7496.8950  2580.87  ?   ?    37.785   18.984 0.000000 18.98392 
1 1 1  -70   10    5 o  103.823   14.585  4536.00  1195.65  4600.22  1250.65  3853.57  4076.79  104.417   15.197   99.826   37.337 4.590889 40.31155 
1 1 1  -70   10    6 o  ?   ?  -799.8317  197.131 -799.8317  197.131   0.0000   0.0000  ?   ?   ?   ?  0.000000      ? 
1 1 1  -70   10    7 o   66.333   15.615  1903.66  827.082  1903.66  827.082   0.0000   0.0000   66.333   15.615  ?   ?  0.000000 15.61519 
1 1 1  -70   10    8 o  198.547   15.606 16575.65  2495.66   0.0000   0.0000 16575.65  2495.66  ?   ?   198.547   15.606 0.000000 15.60626 
1 1 1  -70   10    9 o  237.762   14.397 23708.61  2766.30 19793.48  4192.59 26727.15  3681.36  210.512   25.018  250.120   18.253 -39.60829 30.96895 
1 1 1  -70   10   10 o   48.007   10.462  988.333  396.269  616.316  1045.28  1050.77  428.235   47.242   18.584   49.450   10.954 -2.207851 21.57232 
1 1 1  -70   10   11 o   67.907   10.813  1958.15  576.201   43.845  1245.00  2479.96  650.006   44.291   19.082   76.616   10.744 -32.32435 21.89880 
1 1 1  -70   10   12 o   52.019   8.5223  1144.18  347.493  1214.73  1257.40  1138.35  361.575   56.292   20.798   51.794   8.9196 4.497932 22.63033 
1 1 1  -70   10   13 o   44.450   9.3443  850.016  326.552  588.735  1175.35  871.871  339.936   47.853   19.407   44.980   9.5999 2.872326 21.65123 
1 1 1  -70   10   14 o   44.810   9.8235  870.663  347.564  416.020  1260.30  908.087  361.586   46.805   19.641   45.740   10.014 1.064827 22.04612 
1 1 1  -70   10   15 o   94.635   8.2655  3755.69  628.758  2101.94  1706.63  4015.42  676.331   66.357   24.276   97.746   8.6095 -31.38885 25.75777 
1 1 1  -70   10   16 o  198.023   10.669 16793.90  1709.15 16077.23  3539.43 17011.83  1951.79  173.762   25.876  197.723   12.217 -23.96114 28.61508 
1 1 1  -70   10   17 o   49.590   11.093  1104.66  435.472 -513.9833  1619.24  1230.85  452.130   42.442   19.683   52.453   10.969 -10.01158 22.53328 
1 1 1  -70   10   18 o   33.087   11.622  455.447  386.754 -1893.1650  1714.72  581.330  396.983   36.423   17.770   36.183   11.781 0.2402115 21.32011 
1 1 1  -70   10   19 o   32.331   12.210  414.104  438.198  4944.67  1916.98  164.318  450.116   83.339   25.739   28.093   11.760 55.24594 28.29799 
1 1 1  -70   10   20 o   81.432   12.001  3208.83  769.739  7210.81  2369.27  2736.57  813.889   86.558   28.809   72.749   14.288 13.80925 32.15749 
1 1 1  -70   10   21 o   35.112   13.022  636.210  493.853 -1782.7500  2308.48  752.226  505.558   35.068   17.663   37.383   13.272 -2.314125 22.09345 
1 1 1  -70   12    1 o  353.210   34.770 55940.63  9842.71   0.0000   0.0000 55940.63  9842.71  ?   ?   353.210   34.770 0.000000 34.77045 
1 1 1  -70   12    2 o   94.319   32.718  3700.77  3060.27   0.0000   0.0000  3700.77  3060.27  ?   ?    94.319   32.718 0.000000 32.71799 
1 1 1  -70   12    3 o  149.906   36.278 10503.90  4368.11   0.0000   0.0000 10503.90  4368.11  ?   ?   149.906   36.278 0.000000 36.27834 
1 1 1  -70   12    4 o  164.511   39.233 12946.70  5167.06   0.0000   0.0000 12946.70  5167.06  ?   ?   164.511   39.233 0.000000 39.23320 
1 1 1  -70   12    5 o  111.946   39.198  5670.52  4397.40   0.0000   0.0000  5670.52  4397.40  ?   ?   111.946   39.198 0.000000 39.19778 
1 1 1  -70   12    6 o   52.134   16.907  1110.49  817.994  1063.64  832.176  2449.90  4449.78   51.461   17.071   91.609   37.527 -40.14770 41.22768 
1 1 1  -70   12    7 o   64.002   17.766  1781.82  955.946  1781.82  955.946   0.0000   0.0000   64.002   17.766  ?   ?  0.000000 17.76616 
1 1 1  -70   12    8 o  119.826   19.745  6284.21  1854.17  6284.21  1854.17   0.0000   0.0000  119.826   19.745  ?   ?  0.000000 19.74511 
1 1 1  -70   12    9 o  147.494   11.151  9057.12  1325.53  5751.58  2302.78 10695.10  1621.01  111.212   25.972  159.816   12.594 -48.60445 28.86419 
1 1 1  -70   12   10 o  111.143   9.7971  5141.32  875.096  3593.49  1728.39  5674.88  1014.78   88.038   23.668  116.495   10.853 -28.45727 26.03748 
1 1 1  -70   12   11 o  249.145   12.056 25983.90  2438.84 18688.23  4715.37 28648.28  2849.58  194.637   30.867  260.285   13.530 -65.64754 33.70190 
1 1 1  -70   12   12 f  211.594   10.697 18737.75  1831.80 14065.90  3705.97 20248.18  2107.21  169.407   27.915  219.217   11.883 -49.80962 30.33855 
1 1 1  -70   12   13 o   85.367   7.6137  3031.17  522.206  1508.66  1548.46  3226.55  554.701   60.874   22.962   88.032   7.8424 -27.15858 24.26440 
1 1 1  -70   12   14 o  144.108   8.5336  8671.31  994.081 10597.25  2442.86  8289.09  1088.26  150.161   20.577  140.368   9.6060 9.792267 22.70869 
1 1 1  -70   12   15 o   45.202   10.493  899.566  377.694  628.555  1511.97  917.603  390.060   50.534   21.375   45.607   10.715 4.927799 23.91038 
1 1 1  -70   12   16 o   40.472   11.760  729.850  409.452  1828.12  1641.09  656.944  422.823   61.078   23.495   38.702   12.110 22.37682 26.43206 
1 1 1  -70   12   17 o  136.175   9.4904  7989.17  1042.79  7226.26  2618.30  8132.99  1136.84  104.560   29.537  136.692   10.319 -32.13145 31.28778 
1 1 1  -70   12   18 o   31.786   12.002  381.995  423.287  1491.15  1891.60  323.527  434.300   54.023   23.397   30.821   12.021 23.20214 26.30467 
1 1 1  -70   12   19 o   36.664   12.699  627.734  460.967  246.359  2122.69  646.609  472.237   45.000   21.382   37.111   12.854 7.889042 24.94833 
1 1 1  -70   12   20 o   86.725   13.234  3832.44  902.396  3085.35  2625.71  3932.50  960.929   51.657   24.315   86.669   14.143 -35.01194 28.12870 
1 1 1  -70   14    1 o  288.893   33.175 37822.43  7640.76   0.0000   0.0000 37822.43  7640.76  ?   ?   288.893   33.175 0.000000 33.17514 
1 1 1  -70   14    2 o  122.978   35.602  7129.92  3758.81   0.0000   0.0000  7129.92  3758.81  ?   ?   122.978   35.602 0.000000 35.60158 
1 1 1  -70   14    3 o  183.823   37.088 16053.01  5344.83   0.0000   0.0000 16053.01  5344.83  ?   ?   183.823   37.088 0.000000 37.08848 
1 1 1  -70   14    4 o  417.217   44.288 86402.17 14773.77   0.0000   0.0000 86402.17 14773.77  ?   ?   417.217   44.288 0.000000 44.28769 
1 1 1  -70   14    5 o  334.891   41.014 55032.23 10919.54   0.0000   0.0000 55032.23 10919.54  ?   ?   334.891   41.014 0.000000 41.01434 
1 1 1  -70   14    6 o   58.513   20.770  1315.49  1238.02  1212.49  1280.69  2784.34  4836.42   57.614   21.037   94.001   38.881 -36.38626 44.20713 
1 1 1  -70   14    7 o  116.778   20.954  6033.92  1913.83  6033.92  1913.83   0.0000   0.0000  116.778   20.954  ?   ?  0.000000 20.95384 
1 1 1  -70   14    8 o  133.326   20.753  7861.39  2173.52  7861.39  2173.52   0.0000   0.0000  133.326   20.753  ?   ?  0.000000 20.75269 
1 1 1  -70   14    9 o   58.709   21.430  1321.45  1328.81  1321.45  1328.81   0.0000   0.0000   58.709   21.430  ?   ?  0.000000 21.42987 
1 1 1  -70   14   10 o   69.213   6.7850  1981.81  376.405  1032.47  1507.57  2044.93  388.715   56.853   22.333   70.295   6.8992 -13.44249 23.37482 
1 1 1  -70   14   11 o  196.427   9.5450 16007.44  1522.36 17984.70  3341.47 15489.52  1710.16  199.469   20.944  192.264   11.000 7.205444 23.65691 
1 1 1  -70   14   12 o  129.915   8.2000  7006.45  860.552  6583.88  2349.39  7071.93  924.826  115.569   25.701  130.310   8.7921 -14.74082 27.16349 
1 1 1  -70   14   13 o  117.097   8.1763  5713.85  772.515  4537.41  2068.69  5904.49  832.759   93.853   26.164  118.847   8.6899 -24.99408 27.56979 
1 1 1  -70   14   14 o   16.420   7.7617 -304.4403  272.772 -1006.9410  1596.49 -283.3162  276.843   41.070   19.212   16.840   7.9169 24.22958 20.77973 
1 1 1  -70   14   15 o  142.180   9.1661  8559.99  1052.54  7134.65  2796.94  8795.14  1136.05  108.268   30.509  143.711   9.7942 -35.44353 32.04213 
1 1 1  -70   14   16 o   41.589   11.294  779.127  391.249 -747.5079  1769.47  857.601  401.179   42.931   20.129   43.596   11.256 -0.6651192 23.06199 
1 1 1  -70   14   17 o   61.124   10.450  1670.84  500.023  3138.77  2314.53  1598.97  512.116   67.473   27.279   59.478   11.010 7.995087 29.41666 
1 1 1  -70   14   18 o   67.438   11.083  2092.09  585.793 -1542.8510  2536.45  2296.90  602.070   42.923   21.080   70.920   10.796 -27.99701 23.68398 
1 1 1  -70   14   19 o   47.797   14.290  1204.85  597.413  3429.69  2730.98  1093.04  612.242   56.111   25.860   45.383   14.617 10.72823 29.70554 
1 1 1  -70   14   20 o   42.902   15.250  1083.63  667.652  5409.47  2640.86  788.262  690.070   57.758   26.161   38.088   15.063 19.67020 30.18743 
1 1 1  -70   16    1 o  224.272   33.640 23371.01  5937.03   0.0000   0.0000 23371.01  5937.03  ?   ?   224.272   33.640 0.000000 33.64042 
1 1 1  -70   16    2 o   97.416   35.571  4065.59  3661.51   0.0000   0.0000  4065.59  3661.51  ?   ?    97.416   35.571 0.000000 35.57066 
1 1 1  -70   16    3 o  162.465   40.518 13305.85  5326.89   0.0000   0.0000 13305.85  5326.89  ?   ?   162.465   40.518 0.000000 40.51794 
1 1 1  -70   16    4 o  343.638   42.454 59543.32 11593.66   0.0000   0.0000 59543.32 11593.66  ?   ?   343.638   42.454 0.000000 42.45367 
1 1 1  -70   16    5 o  241.484   42.331 29924.81  7997.48   0.0000   0.0000 29924.81  7997.48  ?   ?   241.484   42.331 0.000000 42.33057 
1 1 1  -70   16    6 o  173.125   48.632 17275.53  7118.63   0.0000   0.0000 17275.53  7118.63  ?   ?   173.125   48.632 0.000000 48.63228 
1 1 1  -70   16    7 f   13.855   6.8586 -662.3563  287.147 -648.2119  287.532 -5926.1440  5546.81   13.973   6.9069   68.038   32.905 -54.06495 33.62222 
1 1 1  -70   16    8 o   48.963   20.432  379.295  1352.52  379.295  1352.52   0.0000   0.0000   48.963   20.432  ?   ?  0.000000 20.43166 
1 1 1  -70   16    9 o  128.187   12.059  6929.81  1240.44   0.0000   0.0000  6929.81  1240.44  ?   ?   128.187   12.059 0.000000 12.05949 
1 1 1  -70   16   10 o   85.289   10.237  3066.79  694.766  3007.93  1849.67  3076.46  749.660   79.511   25.386   85.152   11.107 -5.641708 27.70935 
1 1 1  -70   16   11 o   73.995   7.7557  2282.77  459.046  915.065  1871.79  2370.30  473.506   58.328   24.162   75.390   7.8504 -17.06215 25.40532 
1 1 1  -70   16   12 o   75.684   7.7860  2393.54  471.647  3359.95  2146.30  2344.51  483.465   81.001   27.421   74.813   8.0875 6.187607 28.58894 
1 1 1  -70   16   13 o   73.143   8.1942  2251.66  478.289  3371.21  2083.17  2189.36  491.417   79.675   27.015   71.991   8.5756 7.683762 28.34311 
1 1 1  -70   16   14 f   46.662   10.732  962.866  398.143 -2152.9709  1819.80  1119.51  408.029   38.729   18.759   50.518   10.297 -11.78883 21.39891 
1 1 1  -70   16   15 o   89.765   8.8285  3436.43  635.151  1871.36  2316.99  3563.60  660.451   62.758   26.498   91.327   9.0245 -28.56934 27.99276 
1 1 1  -70   16   16 o   23.090   10.169 -55.3482  370.370 -2098.7051  2056.17   13.173  376.529   39.910   19.468   24.316   10.485 15.59352 22.11210 
1 1 1  -70   16   17 o  104.470   9.5628  4803.63  802.183  2643.19  2844.18  4990.34  836.128   60.408   27.274  106.292   9.7983 -45.88411 28.98100 
1 1 1  -70   16   18 o   38.447   14.642  681.670  633.372  633.811  2571.78  684.760  653.500   47.619   22.872   38.612   14.832 9.006817 27.26037 
1 1 1  -70   16   19 o   42.748   15.560  1031.81  699.853  292.570  2876.24  1078.34  721.539   43.212   21.446   43.418   15.800 -0.2056618 26.63741 
1 1 1  -70   18    1 o  103.784   33.974  5093.42  3300.01   0.0000   0.0000  5093.42  3300.01  ?   ?   103.784   33.974 0.000000 33.97383 
1 1 1  -70   18    2 o  264.515   38.336 34503.06  7993.78   0.0000   0.0000 34503.06  7993.78  ?   ?   264.515   38.336 0.000000 38.33625 
1 1 1  -70   18    3 o  116.707   41.564  6923.26  4961.71   0.0000   0.0000  6923.26  4961.71  ?   ?   116.707   41.564 0.000000 41.56380 
1 1 1  -70   18    4 o  236.744   44.321 29915.44  8206.54   0.0000   0.0000 29915.44  8206.54  ?   ?   236.744   44.321 0.000000 44.32058 
1 1 1  -70   18    5 o  113.248   43.107  6649.77  5488.70   0.0000   0.0000  6649.77  5488.70  ?   ?   113.248   43.107 0.000000 43.10749 
1 1 1  -70   18    6 o  134.987   48.165 11186.06  6665.76   0.0000   0.0000 11186.06  6665.76  ?   ?   134.987   48.165 0.000000 48.16452 
1 1 1  -70   18    7 o   48.849   21.738 -330.1929  1735.91 -1060.6010  1798.71  9584.71  6627.10   45.463   20.965  124.156   47.342 -78.69307 51.77602 
1 1 1  -70   18    8 o   80.651   10.358  2743.29  662.601 -827.2529  2010.92  3178.16  701.792   49.385   22.547   86.963   10.129 -37.57843 24.71705 
1 1 1  -70   18    9 o  302.671   25.086 43054.86  6109.61   0.0000   0.0000 43054.86  6109.61  ?   ?   302.671   25.086 0.000000 25.08630 
1 1 1  -70   18   10 o  154.436   12.327 10144.43  1532.94 10656.07  3294.35 10003.03  1731.86  144.734   29.042  152.255   14.172 -7.520737 32.31540 
1 1 1  -70   18   11 o   29.983   10.119  355.166  292.242  1202.26  1680.92  328.763  296.762   58.416   23.377   29.339   10.188 29.07703 25.50022 
1 1 1  -70   18   12 o   98.646   8.0476  4069.51  638.975  2638.02  2392.45  4179.47  663.061   72.968   28.283   99.905   8.2476 -26.93736 29.46139 
1 1 1  -70   18   13 o   98.851   8.5582  4120.35  680.140  1584.23  2571.49  4311.11  705.255   64.317   27.561  101.076   8.6774 -36.75940 28.89483 
1 1 1  -70   18   14 o   88.012   8.9428  3304.40  630.206  426.719  2382.74  3520.85  653.477   54.926   24.866   90.858   8.9751 -35.93258 26.43657 
1 1 1  -70   18   15 o  126.674   13.394  7308.51  1356.76  7058.86  3374.73  7356.64  1481.78   91.686   34.034  125.629   14.811 -33.94300 37.11702 
1 1 1  -70   18   16 o   52.463   15.689  1382.24  720.037 -1629.3820  3023.47  1563.32  741.367   47.173   23.136   55.725   15.709 -8.552494 27.96517 
1 1 1  -70   18   17 o   57.160   15.561  1713.42  741.652  3677.36  3033.83  1588.59  764.858   60.588   27.674   54.519   16.139 6.068867 32.03603 
1 1 1  -70   18   18 o   15.833   7.8860 -913.0026  403.303 -1189.0900  2726.86 -906.8282  407.788   40.886   20.387   16.003   7.9640 24.88369 21.88774 
1 1 1  -70   20    1 o  137.789   40.452 10128.70  4822.63   0.0000   0.0000 10128.70  4822.63  ?   ?   137.789   40.452 0.000000 40.45226 
1 1 1  -70   20    2 o  137.216   42.996 10449.69  5327.53   0.0000   0.0000 10449.69  5327.53  ?   ?   137.216   42.996 0.000000 42.99566 
1 1 1  -70   20    3 o  133.895   44.755 10316.52  5716.67   0.0000   0.0000 10316.52  5716.67  ?   ?   133.895   44.755 0.000000 44.75481 
1 1 1  -70   20    4 o  129.617   46.844 10135.88  6326.65   0.0000   0.0000 10135.88  6326.65  ?   ?   129.617   46.844 0.000000 46.84414 
1 1 1  -70   20    5 f  182.055   51.591 21469.93  7974.67   0.0000   0.0000 21469.93  7974.67  ?   ?   182.055   51.591 0.000000 51.59054 
1 1 1  -70   20    6 o  156.262   52.851 17462.75  7972.97   0.0000   0.0000 17462.75  7972.97  ?   ?   156.262   52.851 0.000000 52.85095 
1 1 1  -70   20    7 o   96.473   10.344  3912.77  797.625  2747.64  3031.63  3999.42  826.753   80.260   31.625   97.457   10.620 -17.19724 33.36061 
1 1 1  -70   20    8 o   93.200   11.048  3682.27  819.764  1044.70  2532.20  3991.06  866.423   65.138   27.613   97.019   11.205 -31.88093 29.79983 
1 1 1  -70   20    9 o   54.605   12.879  1315.42  561.740  2534.40  2375.10  1243.19  578.143   74.400   28.348   52.984   13.423 21.41547 31.36546 
1 1 1  -70   20   10 o  118.800   12.920  6099.67  1226.14  1013.59  3329.47  6897.69  1318.83   68.229   30.245  126.329   13.045 -58.09967 32.93877 
1 1 1  -70   20   11 o   91.702   12.617  3671.40  914.550  3390.76  3012.26  3699.90  959.859   79.096   31.410   91.730   13.273 -12.63399 34.09949 
1 1 1  -70   20   12 o   81.854   13.518  2994.77  867.050  1216.35  3039.23  3152.34  904.645   64.387   28.699   83.888   13.758 -19.50066 31.82671 
1 1 1  -70   20   13 o  152.696   14.313 10531.96  1753.83 10953.04  3956.30 10428.97  1956.59  121.006   36.908  149.692   16.364 -28.68642 40.37323 
1 1 1  -70   20   14 o   37.439   14.415  516.077  618.243 -814.3928  2691.00  590.216  635.235   50.011   23.851   38.858   14.695 11.15281 28.01456 
1 1 1  -70   20   15 o   65.938   16.419  2202.19  875.706  1189.87  3163.05  2286.22  911.329   56.385   26.585   66.904   16.800 -10.51922 31.44810 
1 1 1  -70   20   16 o   52.101   17.068  1471.45  832.870  2162.84  3394.57  1427.17  859.131   55.524   26.565   51.210   17.349 4.313156 31.72797 
1 1 1  -70   20   17 o   54.372   17.689  1768.87  895.145 -63.0168  3588.95  1890.39  924.359   46.094   23.046   55.949   17.955 -9.854980 29.21473 
1 1 1  -70   22    1 o   91.506   35.668  3759.64  3821.43   0.0000   0.0000  3759.64  3821.43  ?   ?    91.506   35.668 0.000000 35.66835 
1 1 1  -70   22    2 f  165.588   47.425 16877.48  6702.31   0.0000   0.0000 16877.48  6702.31  ?   ?   165.588   47.425 0.000000 47.42491 
1 1 1  -70   22    3 o   97.098   40.774  4218.48  5437.51   0.0000   0.0000  4218.48  5437.51  ?   ?    97.098   40.774 0.000000 40.77360 
1 1 1  -70   22    4 o  126.856   48.866 11041.47  7107.09   0.0000   0.0000 11041.47  7107.09  ?   ?   126.856   48.866 0.000000 48.86620 
1 1 1  -70   22    6 o  155.964   13.680 10411.64  1714.91   0.0000   0.0000 10411.64  1714.91  ?   ?   155.964   13.680 0.000000 13.68006 
1 1 1  -70   22    7 o  129.076   12.826  7132.40  1326.42  2413.96  4510.44  7579.08  1387.79   81.805   35.769  132.987   13.019 -51.18237 38.06473 
1 1 1  -70   22    8 f  124.876   12.979  6718.98  1296.74  5434.23  4251.16  6850.79  1361.64   94.965   37.440  125.789   13.545 -30.82474 39.81489 
1 1 1  -70   22    9 o  165.565   15.532 12135.11  2063.60  5905.50  5007.72 13409.36  2264.84   93.898   39.260  173.404   16.276 -79.50665 42.49981 
1 1 1  -70   22   10 o   26.486   11.615 -70.5752  478.630 -558.0471  2889.08 -56.8185  485.336   56.585   26.260   26.853   11.738 29.73198 28.76403 
1 1 1  -70   22   11 o   54.099   25.652 -1171.1550  3023.50 -1171.1550  3023.50   0.0000   0.0000   54.099   25.652  ?   ?  0.000000 25.65168 
1 1 1  -70   22   12 o   37.841   11.102  634.165  363.343  4770.86  3515.19  589.491  365.299   80.386   33.190   36.659   11.221 43.72768 35.03571 
1 1 1  -70   22   13 o   37.111   11.281  614.939  370.071  3732.03  3377.72  577.067  372.312   70.873   30.972   36.133   11.373 34.74004 32.99450 
1 1 1  -70   22   14 o   43.557   16.120  869.164  756.020  870.492  3636.27  869.104  772.910   56.288   27.077   43.647   16.271 12.64081 31.58955 
1 1 1  -70   22   15 o   76.366   17.647  3152.73  1072.26 -2333.8850  4208.57  3533.60  1108.85   47.930   24.103   81.445   17.302 -33.51437 29.66963 
1 1 1  -70   22   16 o   37.517   15.686  569.895  799.472 -1297.3590  3563.90  668.838  820.380   44.290   22.260   38.851   16.037 5.439705 27.43484 
1 1 1  -70   24    1 o  118.035   44.102  8892.86  5685.05   0.0000   0.0000  8892.86  5685.05  ?   ?   118.035   44.102 0.000000 44.10220 
1 1 1  -70   24    6 o   56.975   11.687  1418.95  522.500   0.0000   0.0000  1418.95  522.500  ?   ?    56.975   11.687 0.000000 11.68651 
1 1 1  -70   24    7 o   15.497   7.4237 -367.5595  266.998  1921.77  4082.15 -377.3953  267.571   75.101   33.381   15.418   7.3982 59.68313 34.19133 
1 1 1  -70   24    8 o   27.711   11.985 -14.2507  494.988   0.0000   0.0000 -14.2507  494.988  ?   ?    27.711   11.985 0.000000 11.98501 
1 1 1  -70   24    9 o  110.139   14.348  5423.84  1252.69  8229.67  5094.22  5243.26  1292.37   98.547   40.236  107.682   15.204 -9.134308 43.01311 
1 1 1  -70   24   10 o   42.844   15.553  754.834  698.490  4150.69  3922.89  643.648  709.832   78.223   33.786   41.162   15.542 37.06094 37.18915 
1 1 1  -70   24   11 o   30.159   15.280 -5512.5068  1884.80 -5512.5068  1884.80   0.0000   0.0000   30.159   15.280  ?   ?  0.000000 15.28007 
1 1 1  -70   24   12 o   87.779   17.159  3822.30  1179.16  403.886  5077.27  4017.19  1212.31   60.794   29.850   89.989   17.219 -29.19518 34.46053 
1 1 1  -70   24   13 o   40.684   15.849  691.543  754.146 -871.1691  4883.53  729.721  763.302   54.599   27.234   41.307   15.986 13.29139 31.57913 
1 1 1  -70   24   14 f   67.132   18.627  2567.00  1051.08  5149.68  4964.55  2445.80  1075.46   60.318   29.597   64.818   19.124 -4.499397 35.23743 
1 1 1  -70   24   15 o   41.246   16.678  855.169  865.371 -3416.8721  5062.88  983.734  878.296   44.728   22.875   42.906   16.985 1.822731 28.49138 
1 1 1  -70   26    3 o  102.370   45.587  8430.83  7649.05   0.0000   0.0000  8430.83  7649.05  ?   ?   102.370   45.587 0.000000 45.58681 
1 1 1  -70   26    4 o   94.458   43.771  6343.73  7983.01   0.0000   0.0000  6343.73  7983.01  ?   ?    94.458   43.771 0.000000 43.77102 
1 1 1  -70   26    5 o  107.676   47.459 12158.41  8083.54   0.0000   0.0000 12158.41  8083.54  ?   ?   107.676   47.459 0.000000 47.45886 
1 1 1  -70   26    6 o   76.355   13.492  2596.03  805.875   0.0000   0.0000  2596.03  805.875  ?   ?    76.355   13.492 0.000000 13.49196 
1 1 1  -70   26    7 f   68.530   15.318  2168.33  830.901   0.0000   0.0000  2168.33  830.901  ?   ?    68.530   15.318 0.000000 15.31760 
1 1 1  -70   26    8 f   23.555   11.017 -446.5988  524.609   0.0000   0.0000 -446.5988  524.609  ?   ?    23.555   11.017 0.000000 11.01715 
1 1 1  -70   26    9 o   91.127   16.090  3922.78  1147.01 13124.79  5975.18  3570.72  1168.74  103.558   43.056   85.874   17.359 17.68329 46.42362 
1 1 1  -70   26   10 o   52.732   17.812  1370.49  905.589  3398.92  5588.04  1315.79  917.721   68.763   33.201   51.881   17.921 16.88140 37.72871 
1 1 1  -70   26   11 o   48.893   17.606  1175.83  892.633  6593.17  6037.73  1054.78  902.551   70.217   34.048   47.166   17.582 23.05083 38.31995 
1 1 1  -70   26   12 o   37.522   15.500  471.687  767.189  3067.50  4778.71  403.012  777.271   59.641   29.218   36.803   15.433 22.83771 33.04312 
1 1 1  -70   26   13 f   52.214   18.267  1578.30  954.955 -4493.5771  6063.42  1732.74  967.023   48.025   24.597   54.448   18.406 -6.423286 30.72132 
1 1 1  -70   28    1 o   73.906   35.476   94.810  6165.45   0.0000   0.0000   94.810  6165.45  ?   ?    73.906   35.476 0.000000 35.47571 
1 1 1  -70   28    2 o   47.813   23.608 -4709.4780  3326.59   0.0000   0.0000 -4709.4780  3326.59  ?   ?    47.813   23.608 0.000000 23.60810 
1 1 1  -70   28    3 o   63.685   31.085 -2687.9790  5265.94   0.0000   0.0000 -2687.9790  5265.94  ?   ?    63.685   31.085 0.000000 31.08528 
1 1 1  -70   28    4 o   49.948   25.168 -8977.2129  4717.26   0.0000   0.0000 -8977.2129  4717.26  ?   ?    49.948   25.168 0.000000 25.16840 
1 1 1  -70   28    5 o   58.156   14.559  1566.90  685.884   0.0000   0.0000  1566.90  685.884  ?   ?    58.156   14.559 0.000000 14.55861 
1 1 1  -70   28    6 o   30.728   12.748  173.878  522.120   0.0000   0.0000  173.878  522.120  ?   ?    30.728   12.748 0.000000 12.74771 
1 1 1  -70   28    7 o   55.720   16.870  1512.43  828.793   0.0000   0.0000  1512.43  828.793  ?   ?    55.720   16.870 0.000000 16.86998 
1 1 1  -70   28    8 o   83.103   18.071  3478.21  1184.65  2678.94  9123.43  3491.91  1194.76   68.031   34.368   83.152   18.201 -15.12169 38.89026 
1 1 1  -70   28    9 o   35.631   15.369  200.872  809.672 -18070.7207  8376.91  373.180  813.481   50.866   26.193   37.607   15.780 13.25882 30.57955 
1 1 1  -70   28   10 o   57.422   28.894  638.358  6097.73  1999.96  6744.26 -5459.3252 14272.20   59.286   29.902   58.269   30.184 1.016823 42.48786 
1 1 1  -70   28   11 o   48.541   18.521  1285.05  1014.66  6571.19  7775.30  1193.47  1023.41   58.852   29.940   47.389   18.462 11.46333 35.17468 
1 1 1  -70   30    1 o   47.258   23.861 -8293.4727  4362.54   0.0000   0.0000 -8293.4727  4362.54  ?   ?    47.258   23.861 0.000000 23.86134 
1 1 1  -70   30    2 o   71.928   35.078  2722.60  6663.33   0.0000   0.0000  2722.60  6663.33  ?   ?    71.928   35.078 0.000000 35.07786 
1 1 1  -70   30    3 o   76.551   36.722  5785.67  6583.73   0.0000   0.0000  5785.67  6583.73  ?   ?    76.551   36.722 0.000000 36.72248 
1 1 1  -70   30    4 o   48.228   24.581 -11390.2197  5430.49   0.0000   0.0000 -11390.2197  5430.49  ?   ?    48.228   24.581 0.000000 24.58105 
1 1 1  -70   30    5 o   45.276   23.242 -16041.5098  5756.39   0.0000   0.0000 -16041.5098  5756.39  ?   ?    45.276   23.242 0.000000 23.24185 
1 1 1  -70   30    6 o   72.033   36.289 11041.47  9779.19   0.0000   0.0000 11041.47  9779.19  ?   ?    72.033   36.289 0.000000 36.28944 
1 1 1  -70   30    7 f   58.551   29.910 -2399.2190  8438.35   0.0000   0.0000 -2399.2190  8438.35  ?   ?    58.551   29.910 0.000000 29.91030 
1 1 1  -70   30    8 o   59.831   30.805  4094.07 11513.74   0.0000   0.0000  4094.07 11513.74  ?   ?    59.831   30.805 0.000000 30.80491 
1 1 1  -69    1    1 o  233.703   17.185 22555.95  3238.18 21588.68  4526.04 23570.28  4634.85  226.465   25.032  236.929   24.443 -10.46385 34.98714 
1 1 1  -69    1    2 o  174.203   16.778 12575.86  2343.92 14197.24  3320.04 10964.68  3309.58  183.725   22.741  160.109   26.376 23.61642 34.82642 
1 1 1  -69    1    3 o  329.320   21.345 45081.12  5676.91 41906.86  8010.55 48283.75  8046.29  312.969   31.972  337.284   29.683 -24.31497 43.62640 
1 1 1  -69    1    4 o  159.743   10.813 10463.03  1394.20 11248.05  3475.84 10312.51  1522.01  161.628   27.468  158.416   11.920 3.212036 29.94306 
1 1 1  -69    1    5 o   82.060   7.5785  2764.92  499.256  3072.14  749.467  2519.83  669.407   86.046   10.977   77.809   10.894 8.236633 15.46560 
1 1 1  -69    1    6 o  378.780   19.295 59594.79  5914.65 57252.96  8403.31 61893.93  8326.37  366.427   28.467  381.954   27.022 -15.52682 39.25029 
1 1 1  -69    1    7 o  320.290   16.622 42479.27  4308.05 41843.36  6126.46 43101.28  6059.10  314.484   24.177  319.544   23.518 -5.059265 33.72910 
1 1 1  -69    1    8 o  125.377   9.3376  6457.46  943.769  6109.92  1353.25  6786.56  1316.87  121.031   14.031  127.898   12.855 -6.867409 19.02894 
1 1 1  -69    1    9 o  153.669   10.364  9720.94  1285.63  9157.19  1856.67 10240.22  1781.94  147.797   15.712  156.828   14.146 -9.030975 21.14205 
1 1 1  -69    1   10 o  180.631   11.346 13483.53  1655.60 14240.90  2383.32 12777.23  2301.58  184.048   16.110  174.128   16.474 9.920853 23.04248 
1 1 1  -69    1   11 o  168.110   11.359 11724.10  1541.35 10038.26  2199.50 13350.87  2160.62  152.990   18.054  178.041   15.088 -25.05141 23.52842 
1 1 1  -69    1   12 o  207.904   12.878 18094.49  2163.26 15994.50  3083.58 20129.65  3035.60  191.295   20.156  216.696   17.399 -25.40054 26.62687 
1 1 1  -69    1   13 o   71.880   13.628  2239.89  766.261  3185.57  1129.15  1432.61  1043.26   84.862   16.980   57.987   19.108 26.87475 25.56231 
1 1 1  -69    1   14 o  112.822   11.979  5399.17  1080.58  6829.46  1577.70  4135.38  1483.04  125.144   15.884   95.092   19.849 30.05167 25.42214 
1 1 1  -69    1   15 o   59.303   14.650  1572.74  701.303  1584.31  1044.54  1563.24  946.307   59.361   19.090   58.839   18.069 0.5228958 26.28554 
1 1 1  -69    1   16 o   63.389   15.928  1840.82  818.814  2635.80  1093.78  827.323  1234.99   75.007   18.155   50.260   20.064 24.74681 27.05818 
1 1 1  -69    1   17 o   44.580   16.187  809.082  756.689  1958.63  973.387 -946.5809  1202.94   63.976   17.987   34.978   16.462 28.99791 24.38344 
1 1 1  -69    1   18 f  112.816   13.395  5721.81  1203.03  5401.08  1694.11  6048.06  1708.65  102.773   21.010  110.136   19.836 -7.363708 28.89488 
1 1 1  -69    1   19 o   20.998   10.456 -1609.8820  706.924 -1630.1290  1160.40 -1597.9320  891.444   29.816   14.562   25.028   12.332 4.788143 19.08190 
1 1 1  -69    1   20 o   59.715   19.442  2045.37  1081.29  2086.85  1764.25  2020.42  1368.42   56.961   23.515   57.472   21.605 -0.5110435 31.93350 
1 1 1  -69    1   21 o   42.441   18.043  880.557  1086.41  574.846  1499.83  1218.03  1575.80   42.048   19.299   46.387   20.671 -4.339016 28.27999 
1 1 1  -69    1   22 o   43.578   19.346  1407.29  1367.13  2514.89  1997.13  430.555  1875.44   48.011   22.122   39.169   18.989 8.842545 29.15446 
1 1 1  -69    3    1 o  158.155   9.5292 10229.83  1217.98  9860.41  1343.32 11937.04  2887.76  155.108   10.732  168.550   21.597 -13.44177 24.11685 
1 1 1  -69    3    2 o  100.375   8.5802  4132.99  692.579  3610.54  733.753  8400.23  2097.01   93.607   9.7991  141.618   18.693 -48.01134 21.10608 
1 1 1  -69    3    3 o   97.025   9.2144  3870.56  717.204  3315.24  758.899  8511.76  2193.95   89.516   10.650  142.336   19.496 -52.81989 22.21498 
1 1 1  -69    3    4 o   17.484   8.0055 -181.5558  255.939 -194.9260  258.418  505.542  1852.52   17.401   7.9956   58.695   24.149 -41.29395 25.43781 
1 1 1  -69    3    5 o  250.396   18.628 26044.82  3760.11   0.0000   0.0000 26044.82  3760.11  ?   ?   250.396   18.628 0.000000 18.62752 
1 1 1  -69    3    6 o  404.700   19.925 68002.86  6547.40 72904.35  9349.39 63285.60  9172.00  413.770   27.993  384.323   29.620 29.44687 40.75504 
1 1 1  -69    3    7 o  395.120   19.951 65171.83  6380.15 67490.20  9116.43 62946.22  8932.19  396.533   28.505  382.554   28.971 13.97916 40.64257 
1 1 1  -69    3    8 o   88.260   8.7940  3212.10  621.824  3150.94  1007.28  3249.77  790.417   86.194   14.933   88.348   11.276 -2.153893 18.71221 
1 1 1  -69    3    9 o   37.673   12.241  565.434  428.699  1776.17  836.714  134.466  499.201   64.152   16.091   30.647   12.564 33.50436 20.41499 
1 1 1  -69    3   10 o  264.876   14.722 29265.95  3153.79 28507.96  4543.06 29971.01  4381.58  257.270   21.958  264.764   20.542 -7.493958 30.06907 
1 1 1  -69    3   11 o  119.271   10.123  5897.97  971.076  6597.40  1516.52  5411.87  1264.26  124.618   15.309  113.111   14.070 11.50627 20.79261 
1 1 1  -69    3   12 o  124.046   10.664  6411.82  1063.63  6815.43  1627.07  6110.65  1405.52  125.851   16.306  119.681   14.777 6.169983 22.00567 
1 1 1  -69    3   13 o   87.568   12.517  3270.46  864.652  2276.20  1297.46  4064.82  1159.71   70.880   21.029   96.780   15.264 -25.90051 25.98446 
1 1 1  -69    3   14 o   35.422   14.519  228.253  666.627 -1160.6520  991.964  1372.10  900.208   30.499   14.527   55.974   17.693 -25.47507 22.89292 
1 1 1  -69    3   15 o  154.782   12.080 10199.03  1506.18 12627.29  2206.02  8078.61  2061.45  169.274   16.250  132.682   19.736 36.59225 25.56477 
1 1 1  -69    3   16 o  103.242   13.128  4652.67  1075.62  4143.30  1588.24  5084.23  1461.91   92.142   21.604  105.143   17.756 -13.00080 27.96439 
1 1 1  -69    3   17 o   33.979   14.483  114.005  703.230 -79.9775  1243.36  205.244  852.722   41.331   18.394   37.769   16.018 3.562202 24.39114 
1 1 1  -69    3   18 o   28.224   13.469 -916.6617  861.099 -1315.2340  1315.90 -618.1727  1138.77   34.324   16.453   35.277   16.410 -0.9526863 23.23779 
1 1 1  -69    3   19 o   40.817   17.423  410.122  1020.48 -864.6588  1538.02  1412.68  1363.95   38.638   18.313   53.426   21.161 -14.78792 27.98538 
1 1 1  -69    3   20 o   43.971   17.573  888.503  948.439  1302.07  1428.79  562.718  1268.13   49.958   20.936   42.942   18.866 7.015217 28.18219 
1 1 1  -69    3   21 o   36.656   12.720  651.776  462.604  3019.44  1866.13  496.753  477.508   58.336   24.142   33.592   12.732 24.74362 27.29359 
1 1 1  -69    3   22 o   53.597   13.216  1556.26  571.502 -717.0306  2079.07  1742.07  594.399   36.246   18.029   56.965   13.121 -20.71892 22.29853 
1 1 1  -69    5    1 o  194.348   11.865 15485.82  1863.35 15363.76  2112.21 15914.19  3956.96  193.293   13.544  193.622   25.812 -0.3288269 29.14957 
1 1 1  -69    5    2 o  305.375   14.160 38202.38  3511.16 34704.36  4102.65 47778.07  6787.94  289.865   17.514  337.497   24.947 -47.63217 30.48077 
1 1 1  -69    5    3 o  216.223   13.559 19218.62  2368.51 19111.26  2686.24 19593.61  5020.42  215.214   15.476  213.476   29.774 1.738464 33.55580 
1 1 1  -69    5    4 o  542.570   30.376 125393.90 13328.22 125393.90 13328.22   0.0000   0.0000  542.570   30.376  ?   ?  0.000000 30.37569 
1 1 1  -69    5    5 o  120.073   13.691  5987.37  1310.93  5987.37  1310.93   0.0000   0.0000  120.073   13.691  ?   ?  0.000000 13.69091 
1 1 1  -69    5    6 o  223.561   11.929 20523.17  2157.66 22906.81  3211.60 18562.17  2913.00  234.911   16.951  211.291   17.127 23.62006 24.09719 
1 1 1  -69    5    7 o  385.667   19.747 62170.02  6162.94 62513.86  8875.60 61849.89  8564.17  380.573   28.939  379.243   28.010 1.329224 40.27463 
1 1 1  -69    5    8 o  274.428   14.772 31206.76  3279.36 31245.77  4799.41 31172.61  4491.35  271.319   21.974  271.759   20.505 -0.4401245 30.05552 
1 1 1  -69    5    9 o  166.302   10.944 11408.52  1469.50  9667.42  2266.20 12671.78  1930.33  150.603   18.952  174.538   13.732 -23.93520 23.40372 
1 1 1  -69    5   10 o  189.904   11.779 14940.84  1807.26 14102.58  2695.68 15625.24  2435.75  181.826   18.517  192.750   15.700 -10.92351 24.27692 
1 1 1  -69    5   11 o  101.163   9.8681  4252.56  800.255  4661.13  1302.78  4004.98  1014.14  104.169   15.907   97.269   13.180 6.899567 20.65782 
1 1 1  -69    5   12 o  180.312   11.691 13572.62  1702.47 13713.25  2545.52 13458.81  2290.01  178.075   17.845  177.418   16.071 0.6568298 24.01506 
1 1 1  -69    5   13 o  193.301   12.273 15711.12  1916.27 17109.24  2859.00 14570.67  2582.14  197.956   17.983  182.846   17.610 15.11087 25.16974 
1 1 1  -69    5   14 o   48.828   15.587  1020.89  697.336  1575.12  1151.23  699.681  876.414   59.984   20.084   45.370   17.236 14.61351 26.46593 
1 1 1  -69    5   15 o  214.454   13.865 19837.44  2401.38 20060.05  3531.03 19645.88  3275.47  207.764   21.229  207.406   19.686 0.3583069 28.95184 
1 1 1  -69    5   16 o   59.218   16.830  1622.47  847.387  996.754  1367.80  2012.22  1079.51   53.096   21.140   65.090   19.147 -11.99389 28.52244 
1 1 1  -69    5   17 o  195.936   11.365 16549.96  1800.27 12460.39  3490.53 18032.07  2101.32  146.467   30.348  202.961   12.817 -56.49428 32.94345 
1 1 1  -69    5   18 o   23.306   9.3284  128.557  267.734  1529.02  1183.18   52.978  274.863   55.878   20.248   21.914   9.1828 33.96419 22.23311 
1 1 1  -69    5   19 o   69.292   9.5350  2109.01  522.251  2045.84  1510.94  2117.58  556.554   59.759   22.648   69.049   10.237 -9.290253 24.85440 
1 1 1  -69    5   20 o   29.090   11.670  261.615  420.068 -2518.4551  1410.82  532.054  440.026   29.465   14.688   34.739   12.377 -5.274183 19.20728 
1 1 1  -69    5   21 o   30.053   12.072  327.150  450.133  1150.12  1545.03  250.816  470.546   45.075   20.250   29.104   12.090 15.97129 23.58420 
1 1 1  -69    5   22 f   52.976   12.518  1493.58  529.940 -285.7886  1795.14  1663.45  554.660   35.751   17.593   56.046   12.506 -20.29519 21.58463 
1 1 1  -69    7    1 o  304.245   29.845 39511.77  7277.91   0.0000   0.0000 39511.77  7277.91  ?   ?   304.245   29.845 0.000000 29.84508 
1 1 1  -69    7    2 o  309.912   30.500 41114.35  7575.47   0.0000   0.0000 41114.35  7575.47  ?   ?   309.912   30.500 0.000000 30.49971 
1 1 1  -69    7    3 o  409.728   18.595 69371.91  6186.17 58873.10  7322.42 95547.75 11562.06  374.471   24.212  473.250   30.247 -98.77902 38.74406 
1 1 1  -69    7    4 o  401.980   17.808 66749.02  5812.30 57689.18  6861.56 89764.58 10936.39  370.992   22.890  458.508   29.533 -87.51517 37.36499 
1 1 1  -69    7    5 o  181.748   13.196 13620.09  1934.11  7966.47  2103.38 44564.61  4920.93  137.272   19.413  327.433   18.586 -190.1612 26.87519 
1 1 1  -69    7    6 o   99.922   13.988  4183.32  1103.79  4183.32  1103.79   0.0000   0.0000   99.922   13.988  ?   ?  0.000000 13.98795 
1 1 1  -69    7    7 o  357.018   18.623 53271.45  5379.78 52430.94  7796.45 54035.39  7432.87  348.161   27.811  354.851   25.978 -6.690308 38.05656 
1 1 1  -69    7    8 o  141.197   10.257  8213.69  1167.92  5532.19  1872.70  9920.48  1494.07  112.781   21.229  154.860   11.975 -42.07922 24.37378 
1 1 1  -69    7    9 o  400.601   20.517 68316.95  6651.31 71709.16  9586.52 65168.25  9236.01  400.541   29.688  381.311   30.075 19.22983 42.25962 
1 1 1  -69    7   10 o  184.220   11.443 14067.52  1703.25 14419.83  2622.35 13810.44  2240.09  183.905   17.783  181.032   15.385 2.872971 23.51505 
1 1 1  -69    7   11 o   20.520   9.2739 -175.4221  329.767 -975.1929  951.856 -66.3364  351.538   31.054   14.624   22.917   10.004 8.136656 17.71828 
1 1 1  -69    7   12 o   70.898   11.852  2146.59  658.193  1615.95  1158.12  2399.77  799.943   61.356   20.128   74.501   13.730 -13.14471 24.36504 
1 1 1  -69    7   13 o  104.856   11.015  4631.14  923.757  4537.40  1528.41  4685.08  1159.49  100.163   19.494  104.329   14.044 -4.166214 24.02648 
1 1 1  -69    7   14 o   68.538   8.3327  1969.46  454.182  1842.14  1286.49  1987.59  485.440   63.949   21.226   68.705   8.9118 -4.755772 23.02089 
1 1 1  -69    7   15 o   43.512   9.8647  822.476  340.484  225.017  1238.05  871.361  354.140   44.697   19.138   44.780   9.9933 -0.8275223E-01 21.58995 
1 1 1  -69    7   16 o  134.111   8.4994  7535.42  920.745 10392.63  2075.59  6835.42  1027.36  150.815   17.260  126.923   10.051 23.89153 19.97367 
1 1 1  -69    7   17 o   21.918   9.2549   35.189  282.667  1116.20  1352.73 -14.1686  289.048   52.911   21.037   21.227   9.1697 31.68355 22.94876 
1 1 1  -69    7   18 o   22.508   9.8320 -34.8642  340.047  2338.26  1481.68 -166.8081  349.372   65.148   22.756   20.919   9.4912 44.22881 24.65632 
1 1 1  -69    7   19 o   21.552   9.3933 -18.7742  308.820 -2371.2141  1575.22   75.256  314.932   32.823   16.214   23.410   9.8206 9.413185 18.95618 
1 1 1  -69    7   20 o   75.346   10.025  2572.96  598.080  1768.76  2005.81  2651.44  626.582   52.598   23.388   76.211   10.397 -23.61322 25.59497 
1 1 1  -69    7   21 o   34.387   12.081  569.553  417.857  2180.88  1998.84  495.917  427.299   49.875   22.657   32.840   12.126 17.03548 25.69799 
1 1 1  -69    9    1 o  115.405   29.687  5877.48  2797.68   0.0000   0.0000  5877.48  2797.68  ?   ?   115.405   29.687 0.000000 29.68671 
1 1 1  -69    9    2 o  158.230   29.951 10979.07  3707.14   0.0000   0.0000 10979.07  3707.14  ?   ?   158.230   29.951 0.000000 29.95113 
1 1 1  -69    9    3 o  297.647   32.047 38494.62  7623.06   0.0000   0.0000 38494.62  7623.06  ?   ?   297.647   32.047 0.000000 32.04715 
1 1 1  -69    9    4 o  161.346   33.538 11667.47  4250.31   0.0000   0.0000 11667.47  4250.31  ?   ?   161.346   33.538 0.000000 33.53761 
1 1 1  -69    9    5 o   65.378   13.908  1823.70  715.635  1798.42  730.548  2424.11  3559.94   64.868   14.259   88.262   34.420 -23.39410 37.25665 
1 1 1  -69    9    6 o   53.196   14.437  1206.00  639.542  1206.00  639.542   0.0000   0.0000   53.196   14.437  ?   ?  0.000000 14.43736 
1 1 1  -69    9    7 o   66.322   14.785  1890.06  775.899  1890.06  775.899   0.0000   0.0000   66.322   14.785  ?   ?  0.000000 14.78536 
1 1 1  -69    9    8 o  248.916   18.896 26231.21  3790.56   0.0000   0.0000 26231.21  3790.56  ?   ?   248.916   18.896 0.000000 18.89584 
1 1 1  -69    9    9 o  238.250   14.391 23717.69  2770.84 19069.97  4149.21 27458.67  3722.53  207.580   25.129  254.340   18.144 -46.76076 30.99516 
1 1 1  -69    9   10 o   31.252   11.265  340.849  365.544 -804.1374  1041.30  501.781  390.388   34.168   15.824   35.521   11.688 -1.353443 19.67288 
1 1 1  -69    9   11 f  170.160   11.196 12059.40  1538.19 12130.01  2460.89 12014.13  1970.56  167.151   18.439  168.392   14.555 -1.241089 23.49142 
1 1 1  -69    9   12 o   83.793   10.908  2964.85  724.527  2168.94  1413.29  3248.60  843.850   69.549   22.189   87.359   12.232 -17.81046 25.33681 
1 1 1  -69    9   13 o   9.1060   4.6180 -638.3017  174.988 -1110.6140  971.048 -622.4491  177.900   30.353   14.434   9.3377   4.7268 21.01521 15.18842 
1 1 1  -69    9   14 o  144.343   8.4753  8661.42  988.966  9486.64  2154.32  8441.08  1113.19  144.867   18.755  141.970   9.7153 2.897415 21.12199 
1 1 1  -69    9   15 o   36.257   10.194  568.697  312.612  242.967  1295.40  588.840  322.133   45.452   19.522   36.868   10.341 8.584343 22.09162 
1 1 1  -69    9   16 o   99.726   8.3533  4182.01  670.170  4446.32  1802.64  4139.62  721.913   92.524   23.845   98.905   9.0912 -6.380325 25.51935 
1 1 1  -69    9   17 o   70.995   9.3626  2170.20  526.543  2746.43  1667.01  2106.34  554.953   70.797   24.165   69.604   10.115 1.192230 26.19700 
1 1 1  -69    9   18 o   25.151   10.680   58.155  379.793  3818.18  1599.14 -166.6086  390.979   81.850   23.070   22.249   10.073 59.60131 25.17327 
1 1 1  -69    9   19 o   29.867   11.333  327.164  378.577 -1173.6689  1739.24  401.809  387.877   38.520   18.579   31.628   11.573 6.891329 21.88890 
1 1 1  -69    9   20 o   71.577   10.092  2346.44  570.244  2662.57  2131.36  2322.07  591.820   56.372   24.620   70.782   10.626 -14.41003 26.81499 
1 1 1  -69    9   21 o   32.343   12.825  454.603  501.544  2878.44  2160.51  316.544  515.630   51.161   23.362   30.296   12.627 20.86480 26.55617 
1 1 1  -69   11    1 o  495.169   43.343 112455.30 17251.06   0.0000   0.0000 112455.30 17251.06  ?   ?   495.169   43.343 0.000000 43.34311 
1 1 1  -69   11    2 o  200.635   30.244 17659.65  4773.95   0.0000   0.0000 17659.65  4773.95  ?   ?   200.635   30.244 0.000000 30.24371 
1 1 1  -69   11    3 o  158.712   34.296 11427.50  4290.71   0.0000   0.0000 11427.50  4290.71  ?   ?   158.712   34.296 0.000000 34.29622 
1 1 1  -69   11    4 o  347.858   36.769 54574.05 10227.89   0.0000   0.0000 54574.05 10227.89  ?   ?   347.858   36.769 0.000000 36.76867 
1 1 1  -69   11    5 o  144.186   16.104  8721.97  1853.11  7555.02  2020.91 14886.47  4644.81  133.130   19.255  181.444   32.732 -48.31342 37.97492 
1 1 1  -69   11    6 o   81.215   16.276  2835.74  1035.95  2835.74  1035.95   0.0000   0.0000   81.215   16.276  ?   ?  0.000000 16.27649 
1 1 1  -69   11    7 o   28.416   12.174 -17.9804  501.570 -17.9804  501.570   0.0000   0.0000   28.416   12.174  ?   ?  0.000000 12.17443 
1 1 1  -69   11    8 o  119.302   17.766  6115.99  1668.48  6115.99  1668.48   0.0000   0.0000  119.302   17.766  ?   ?  0.000000 17.76594 
1 1 1  -69   11    9 o   88.628   9.0290  3258.16  640.675  3628.84  1274.28  3132.76  741.163   91.089   17.867   86.494   10.788 4.595207 20.87156 
1 1 1  -69   11   10 o  156.977   10.496 10229.22  1330.10 10740.44  2231.71  9947.59  1656.45  157.768   17.728  153.733   13.404 4.035568 22.22519 
1 1 1  -69   11   11 o  125.980   7.7027  6540.29  784.140  3838.71  1863.67  7121.44  864.375   90.458   24.685  131.366   8.1438 -40.90809 25.99399 
1 1 1  -69   11   12 o   79.481   7.2973  2616.41  465.680  3675.79  1416.58  2488.05  493.085   89.724   19.960   77.343   7.9656 12.38050 21.49049 
1 1 1  -69   11   13 o   54.452   8.1693  1250.56  350.044 -259.0622  1220.17  1385.94  365.404   40.856   18.199   57.405   8.0616 -16.54919 19.90504 
1 1 1  -69   11   14 o   95.470   7.9010  3796.98  606.975  3390.87  1621.75  3863.14  654.549   83.096   23.167   96.123   8.4731 -13.02687 24.66738 
1 1 1  -69   11   15 o   36.349   11.156  565.718  360.796  913.996  1357.79  539.259  374.250   52.108   20.954   35.766   11.419 16.34243 23.86357 
1 1 1  -69   11   16 f  120.290   8.8499  6114.33  858.314  4027.98  2125.50  6520.83  938.212   83.891   27.256  123.941   9.3926 -40.04960 28.82924 
1 1 1  -69   11   17 o  114.167   9.4337  5590.44  866.673  1931.74  2192.79  6267.78  943.493   62.186   25.988  120.738   9.7060 -58.55206 27.74147 
1 1 1  -69   11   18 o   36.576   12.046  593.202  414.630  262.484  1780.52  612.165  426.351   46.862   21.325   37.089   12.215 9.773361 24.57574 
1 1 1  -69   11   19 o   18.277   8.8007 -509.5638  386.359  2693.63  1911.78 -645.9588  394.499   60.901   24.732   17.476   8.5255 43.42455 26.16051 
1 1 1  -69   11   20 o  110.922   12.315  5973.51  1090.39  7811.27  2742.21  5628.37  1188.38   81.853   30.621  104.766   14.347 -22.91317 33.81504 
1 1 1  -69   11   21 o   52.558   13.891  1537.14  601.755  2810.00  2529.17  1460.76  619.546   47.016   22.608   50.560   14.398 -3.544197 26.80349 
1 1 1  -69   13    1 o  141.462   32.250  9108.52  3621.98   0.0000   0.0000  9108.52  3621.98  ?   ?   141.462   32.250 0.000000 32.24966 
1 1 1  -69   13    2 o  242.622   31.551 26193.00  6068.48   0.0000   0.0000 26193.00  6068.48  ?   ?   242.622   31.551 0.000000 31.55095 
1 1 1  -69   13    3 o  376.712   38.310 65387.73 11555.12   0.0000   0.0000 65387.73 11555.12  ?   ?   376.712   38.310 0.000000 38.31004 
1 1 1  -69   13    4 o   90.279   36.112  2486.06  4009.51   0.0000   0.0000  2486.06  4009.51  ?   ?    90.279   36.112 0.000000 36.11235 
1 1 1  -69   13    5 o   83.506   35.879  802.412  4378.81   0.0000   0.0000  802.412  4378.81  ?   ?    83.506   35.879 0.000000 35.87939 
1 1 1  -69   13    6 o  240.011   18.662 24430.81  3608.32 16946.26  4194.69 45728.83  7075.98  194.928   27.247  321.462   27.370 -126.5350 38.62031 
1 1 1  -69   13    7 o  137.491   18.896  8147.48  2053.77  8147.48  2053.77   0.0000   0.0000  137.491   18.896  ?   ?  0.000000 18.89617 
1 1 1  -69   13    8 o  139.595   20.118  8507.39  2214.48  8507.39  2214.48   0.0000   0.0000  139.595   20.118  ?   ?  0.000000 20.11812 
1 1 1  -69   13    9 o   84.047   9.0498  2938.15  607.853  3410.27  1502.68  2845.78  664.660   86.845   21.439   82.448   10.142 4.397034 23.71707 
1 1 1  -69   13   10 o   83.354   6.8438  2863.94  459.104  3340.38  1582.97  2820.18  479.724   85.210   22.534   82.639   7.2219 2.570671 23.66302 
1 1 1  -69   13   11 o  201.603   10.221 16911.78  1667.71 12990.53  3491.69 18070.67  1898.22  165.247   26.953  207.862   11.289 -42.61520 29.22138 
1 1 1  -69   13   12 o  172.967   9.5311 12457.39  1333.41  8090.38  2970.00 13559.84  1492.26  126.217   29.509  180.134   10.245 -53.91746 31.23640 
1 1 1  -69   13   13 o  118.147   8.0535  5799.98  767.982  5387.38  2015.40  5870.07  830.653  104.965   24.149  118.643   8.6829 -13.67773 25.66281 
1 1 1  -69   13   14 o  188.312   10.160 14952.00  1547.75 12134.19  3328.51 15729.35  1748.25  152.667   27.879  192.364   11.242 -39.69769 30.05991 
1 1 1  -69   13   15 o   59.535   9.5673  1526.82  446.823 -653.8618  1934.94  1649.66  459.236   46.873   21.660   61.981   9.4218 -15.10863 23.62048 
1 1 1  -69   13   16 o   91.590   8.7087  3565.33  639.852  3469.34  2100.86  3575.14  671.766   76.806   27.079   91.501   9.1650 -14.69454 28.58747 
1 1 1  -69   13   17 o  147.865   9.7456  9446.44  1163.52  8084.72  2951.32  9697.03  1266.05  106.621   31.735  149.080   10.527 -42.45851 33.43512 
1 1 1  -69   13   18 o  108.626   9.7127  5189.97  847.627  5250.54  2535.52  5182.35  899.370   80.031   29.541  107.959   10.388 -27.92789 31.31458 
1 1 1  -69   13   19 o   85.577   12.664  3518.22  853.399  5153.67  2558.85  3313.55  905.226   70.935   28.681   81.465   14.201 -10.53009 32.00436 
1 1 1  -69   13   20 o   26.037   11.691 -21.8073  514.333  508.031  2444.29 -46.3541  526.112   43.026   21.039   26.007   11.737 17.01898 24.09195 
1 1 1  -69   15    1 o  532.593   51.657 146031.09 22058.04   0.0000   0.0000 146031.09 22058.04  ?   ?   532.593   51.657 0.000000 51.65690 
1 1 1  -69   15    2 f  207.490   33.608 19810.05  5468.39   0.0000   0.0000 19810.05  5468.39  ?   ?   207.490   33.608 0.000000 33.60765 
1 1 1  -69   15    3 o  335.629   38.125 53180.59 10205.34   0.0000   0.0000 53180.59 10205.34  ?   ?   335.629   38.125 0.000000 38.12460 
1 1 1  -69   15    4 o  256.042   37.396 31163.40  7545.29   0.0000   0.0000 31163.40  7545.29  ?   ?   256.042   37.396 0.000000 37.39616 
1 1 1  -69   15    5 o  162.167   41.885 13409.41  5553.82   0.0000   0.0000 13409.41  5553.82  ?   ?   162.167   41.885 0.000000 41.88460 
1 1 1  -69   15    6 f   81.001   23.826  2934.70  1671.65  1690.84  1806.11 10367.89  4415.17   67.383   24.921  144.199   37.395 -76.81578 44.93768 
1 1 1  -69   15    7 f   80.961   23.810  2955.50  1669.45  2955.50  1669.45   0.0000   0.0000   80.961   23.810  ?   ?  0.000000 23.80967 
1 1 1  -69   15    8 o   61.962   20.903  1604.61  1247.16  1604.61  1247.16   0.0000   0.0000   61.962   20.903  ?   ?  0.000000 20.90303 
1 1 1  -69   15    9 o  200.224   13.504 16896.82  2182.52 14372.22  3733.00 18207.95  2690.21  175.313   27.098  206.250   16.194 -30.93730 31.56856 
1 1 1  -69   15   10 o  221.558   11.484 20536.96  2058.92 12933.90  4370.31 22705.84  2334.19  157.231   35.119  232.419   12.414 -75.18752 37.24819 
1 1 1  -69   15   11 o  180.191   9.5043 13507.18  1385.64 12010.47  3200.30 13852.50  1537.20  158.565   25.739  182.035   10.444 -23.46951 27.77741 
1 1 1  -69   15   12 o   25.639   9.4971  216.639  262.510 -1487.2140  1454.70  273.992  266.892   37.244   17.698   27.300   9.6486 9.944294 20.15741 
1 1 1  -69   15   13 o  233.113   11.373 23006.63  2152.74 22693.53  4487.60 23100.22  2453.46  212.309   26.617  231.743   13.092 -19.43417 29.66270 
1 1 1  -69   15   14 o  124.496   8.6040  6503.57  864.410  5678.95  2551.37  6610.50  918.747   99.817   29.457  125.284   9.0935 -25.46704 30.82846 
1 1 1  -69   15   15 o  127.372   8.9845  6868.38  923.237  3845.66  2576.32  7313.74  988.914   79.466   29.689  131.240   9.3411 -51.77334 31.12423 
1 1 1  -69   15   16 o   75.684   10.043  2496.52  601.915  1625.91  2134.06  2571.76  627.387   59.545   25.301   76.679   10.340 -17.13422 27.33241 
1 1 1  -69   15   17 o   83.394   9.4585  3038.91  629.138  740.123  2380.11  3211.59  652.341   52.765   24.252   85.705   9.5358 -32.94007 26.05978 
1 1 1  -69   15   18 o   77.544   11.075  2759.05  677.523  587.809  2534.45  2926.16  703.112   49.404   23.443   79.823   11.153 -30.41925 25.96063 
1 1 1  -69   15   19 o   56.635   15.501  1755.31  733.573 -2075.5911  2639.92  2075.87  763.648   39.315   19.673   62.117   15.252 -22.80167 24.89325 
1 1 1  -69   17    1 o   58.523   26.545 -1105.1670  2730.15   0.0000   0.0000 -1105.1670  2730.15  ?   ?    58.523   26.545 0.000000 26.54468 
1 1 1  -69   17    2 o  294.858   36.792 41428.34  8616.84   0.0000   0.0000 41428.34  8616.84  ?   ?   294.858   36.792 0.000000 36.79189 
1 1 1  -69   17    3 o  162.415   37.810 13023.27  4892.93   0.0000   0.0000 13023.27  4892.93  ?   ?   162.415   37.810 0.000000 37.80994 
1 1 1  -69   17    4 o   83.161   35.523  1307.01  4247.31   0.0000   0.0000  1307.01  4247.31  ?   ?    83.161   35.523 0.000000 35.52286 
1 1 1  -69   17    5 f  286.772   43.080 42568.39  9721.11   0.0000   0.0000 42568.39  9721.11  ?   ?   286.772   43.080 0.000000 43.08006 
1 1 1  -69   17    6 o  349.022   49.847 68718.86 13724.92   0.0000   0.0000 68718.86 13724.92  ?   ?   349.022   49.847 0.000000 49.84655 
1 1 1  -69   17    7 o  200.684   24.244 18185.22  3870.47 14332.29  4414.52 30990.47  8047.90  170.849   33.017  239.977   42.876 -69.12794 54.11522 
1 1 1  -69   17    8 o  151.765   12.432  9686.62  1518.54  5694.24  3131.28 10914.29  1736.39  106.059   32.919  160.697   13.431 -54.63840 35.55313 
1 1 1  -69   17    9 o  120.285   11.182  6079.69  1079.61  3937.33  2460.16  6590.65  1201.47   89.738   29.332  124.969   11.988 -35.23092 31.68687 
1 1 1  -69   17   10 o   98.535   10.943  4102.07  860.723  3093.52  2118.00  4301.58  942.017   80.353   27.240  100.638   11.749 -20.28544 29.66550 
1 1 1  -69   17   11 o   35.191   9.8398  531.432  292.127 -128.5985  1561.60  555.367  297.377   46.868   20.748   35.929   9.8839 10.93855 22.98188 
1 1 1  -69   17   12 o   46.744   9.4165  942.942  345.044 -728.5626  1736.90  1011.62  352.061   45.069   20.716   48.492   9.2796 -3.422626 22.69967 
1 1 1  -69   17   13 o   60.797   8.9304  1575.72  427.714 -1444.1090  2078.05  1709.31  437.072   45.309   21.419   63.436   8.7158 -18.12717 23.12469 
1 1 1  -69   17   14 o  109.310   8.5156  5037.71  749.847  4997.68  2759.12  5040.90  779.174   89.209   31.060  109.176   8.8662 -19.96758 32.30028 
1 1 1  -69   17   15 o   75.655   13.849  2625.09  819.400 -964.3153  2664.67  2999.95  861.124   50.493   23.982   81.185   13.540 -30.69210 27.54058 
1 1 1  -69   17   16 o   59.884   15.911  1768.19  786.827  5791.44  2808.14  1425.42  819.660   86.130   31.196   53.484   16.880 32.64599 35.47054 
1 1 1  -69   17   17 o   86.154   15.093  3657.66  1017.36  5542.44  3240.26  3451.53  1071.55   72.946   31.090   82.087   16.646 -9.141487 35.26574 
1 1 1  -69   17   18 o   31.269   13.599  165.274  644.406  2012.89  2515.58   35.517  666.650   52.260   24.337   30.213   13.456 22.04673 27.80921 
1 1 1  -69   17   19 o   49.755   16.892  1527.47  814.482 -645.9417  2930.17  1709.46  847.896   41.031   20.560   52.303   17.226 -11.27232 26.82263 
1 1 1  -69   19    1 o   68.279   30.075 -73.3597  3241.18   0.0000   0.0000 -73.3597  3241.18  ?   ?    68.279   30.075 0.000000 30.07526 
1 1 1  -69   19    2 o  230.956   39.039 26707.92  7059.96   0.0000   0.0000 26707.92  7059.96  ?   ?   230.956   39.039 0.000000 39.03870 
1 1 1  -69   19    3 o  195.831   43.444 20410.42  6727.28   0.0000   0.0000 20410.42  6727.28  ?   ?   195.831   43.444 0.000000 43.44421 
1 1 1  -69   19    4 o   77.656   34.966 -302.9020  4637.27   0.0000   0.0000 -302.9020  4637.27  ?   ?    77.656   34.966 0.000000 34.96570 
1 1 1  -69   19    5 o   87.707   38.053  1807.12  5021.27   0.0000   0.0000  1807.12  5021.27  ?   ?    87.707   38.053 0.000000 38.05269 
1 1 1  -69   19    6 o  220.250   51.250 29748.35  8993.11   0.0000   0.0000 29748.35  8993.11  ?   ?   220.250   51.250 0.000000 51.25016 
1 1 1  -69   19    7 o  196.543   13.994 16379.44  2218.70  6874.25  4870.20 18868.81  2492.36  111.062   40.952  210.577   14.668 -99.51452 43.50000 
1 1 1  -69   19    8 o   91.370   11.097  3529.61  806.351 -522.0819  2383.21  4053.40  856.889   55.343   24.979   98.047   10.950 -42.70360 27.27393 
1 1 1  -69   19    9 o   62.274   12.396  1687.18  604.758 -281.9453  2145.20  1857.19  630.324   53.525   23.966   65.433   12.316 -11.90769 26.94526 
1 1 1  -69   19   10 o  150.113   13.850  9715.85  1669.07  3668.52  3613.01 11356.53  1881.91   85.495   34.251  161.960   14.463 -76.46558 37.17954 
1 1 1  -69   19   11 o  184.545   15.291 14960.67  2270.69  9669.27  4408.97 16870.82  2649.02  121.140   39.248  194.382   16.954 -73.24267 42.75312 
1 1 1  -69   19   12 o   25.802   11.212 -35.4540  437.260 -127.6383  1968.97 -30.6718  448.459   50.570   22.776   26.194   11.368 24.37521 25.45520 
1 1 1  -69   19   13 o   37.091   14.350  455.151  614.930   68.442  2164.75  489.094  641.351   52.554   23.755   38.032   14.671 14.52279 27.92071 
1 1 1  -69   19   14 o   15.902   7.9228 -1007.8780  408.387 -1169.6700  2229.47 -1002.2610  415.416   46.210   21.945   16.158   8.0409 30.05153 23.37140 
1 1 1  -69   19   15 o   63.370   16.034  1971.08  825.639  2101.47  2859.61  1959.22  862.365   62.303   27.799   62.778   16.647 -0.4752464 32.40228 
1 1 1  -69   19   16 o   87.512   15.629  3787.98  1069.80  4337.70  3299.41  3723.40  1130.90   67.826   30.086   85.469   16.895 -17.64218 34.50481 
1 1 1  -69   19   17 o   53.196   15.631  1503.77  719.765 -4326.5718  2761.37  1928.76  745.537   37.490   18.936   60.930   15.137 -23.43935 24.24250 
1 1 1  -69   19   18 o   51.071   17.251  1587.09  849.488 -5679.8760  3506.97  2040.06  875.563   37.174   19.014   58.277   17.271 -21.10206 25.68705 
1 1 1  -69   21    1 o   73.614   30.899  1266.49  3120.60   0.0000   0.0000  1266.49  3120.60  ?   ?    73.614   30.899 0.000000 30.89914 
1 1 1  -69   21    2 o  206.022   43.758 23257.57  7094.01   0.0000   0.0000 23257.57  7094.01  ?   ?   206.022   43.758 0.000000 43.75827 
1 1 1  -69   21    3 f   95.911   39.687  3745.69  5041.86   0.0000   0.0000  3745.69  5041.86  ?   ?    95.911   39.687 0.000000 39.68667 
1 1 1  -69   21    4 o   81.726   37.043  151.159  5305.48   0.0000   0.0000  151.159  5305.48  ?   ?    81.726   37.043 0.000000 37.04288 
1 1 1  -69   21    6 o   90.483   10.409  3444.56  750.808   0.0000   0.0000  3444.56  750.808  ?   ?    90.483   10.409 0.000000 10.40900 
1 1 1  -69   21    7 o   53.622   11.443  1246.92  483.052  1337.97  2533.79  1243.49  492.077   67.475   28.045   53.499   11.657 13.97663 30.37101 
1 1 1  -69   21    8 o   89.275   11.949  3410.99  844.417  3536.61  3177.33  3401.44  875.916   84.742   32.665   88.949   12.471 -4.206367 34.96450 
1 1 1  -69   21    9 o  113.634   13.060  5570.00  1183.07  2146.75  3312.41  6070.54  1266.61   74.955   31.667  118.504   13.399 -43.54975 34.38541 
1 1 1  -69   21   10 o  123.941   13.402  6678.68  1327.26  6616.26  3620.25  6688.38  1426.59  103.006   35.594  123.342   14.523 -20.33649 38.44277 
1 1 1  -69   21   11 o   40.688   19.726 -2455.7480  2023.54 -2455.7480  2023.54   0.0000   0.0000   40.688   19.726  ?   ?  0.000000 19.72556 
1 1 1  -69   21   12 o   57.739   9.4842  1440.95  429.193 -3325.3721  2848.18  1551.69  434.151   46.180   22.609   60.065   9.1944 -13.88477 24.40722 
1 1 1  -69   21   13 o   38.771   11.565  667.862  391.645 -5726.4531  2914.93  785.415  395.229   40.603   20.368   41.818   11.350 -1.215359 23.31703 
1 1 1  -69   21   14 o   73.089   9.4489  2326.93  547.627  5599.72  3278.11  2232.97  555.432   81.334   32.611   71.377   9.8458 9.956924 34.06481 
1 1 1  -69   21   15 o   35.390   14.899  313.190  728.969  3991.08  3251.05  118.487  748.015   66.711   29.713   33.467   14.602 33.24420 33.10674 
1 1 1  -69   21   16 o   65.569   18.037  2419.63  990.381 -4237.4268  3306.08  3075.92  1038.05   40.975   20.699   75.288   17.339 -34.31343 27.00117 
1 1 1  -69   21   17 o   91.026   18.418  4877.30  1314.56  3989.10  4126.83  4977.60  1386.80   52.379   25.941   90.170   19.508 -37.79089 32.45794 
1 1 1  -69   23    1 o  148.712   41.776 12660.81  5252.73   0.0000   0.0000 12660.81  5252.73  ?   ?   148.712   41.776 0.000000 41.77555 
1 1 1  -69   23    6 o   48.819   11.513  1039.95  448.956   0.0000   0.0000  1039.95  448.956  ?   ?    48.819   11.513 0.000000 11.51304 
1 1 1  -69   23    7 o  104.565   13.082  4721.48  1086.37 -2207.5281  4441.98  5162.29  1120.39   64.794   30.830  109.511   12.844 -44.71683 33.39825 
1 1 1  -69   23    8 o   28.045   11.793   73.742  455.936   0.0000   0.0000   73.742  455.936  ?   ?    28.045   11.793 0.000000 11.79330 
1 1 1  -69   23    9 o  105.451   13.884  4895.26  1159.91  3719.35  4438.46  4981.46  1201.67   82.680   35.824  106.142   14.308 -23.46133 38.57544 
1 1 1  -69   23   10 o   67.885   15.739  2131.91  850.645 -2401.4861  3060.66  2511.40  885.533   51.206   24.685   74.081   15.230 -22.87503 29.00572 
1 1 1  -69   23   11 o   73.156   32.857  2892.18  4065.42  2892.18  4065.42   0.0000   0.0000   73.156   32.857  ?   ?  0.000000 32.85723 
1 1 1  -69   23   12 o   86.983   8.5797  3226.89  598.067 -4728.2212  4273.86  3385.77  604.010   51.443   25.631   89.183   8.4415 -37.74051 26.98511 
1 1 1  -69   23   13 o   40.313   16.200  570.864  811.001  1161.83  3745.31  541.791  830.711   59.855   28.430   40.163   16.306 19.69272 32.77401 
1 1 1  -69   23   14 o   37.352   15.888  355.024  843.240 -187.1365  3976.58  380.550  862.863   53.494   26.296   37.875   16.091 15.61860 30.82874 
1 1 1  -69   23   15 o   58.426   18.685  1990.37  1001.72  6098.95  4541.61  1780.27  1027.01   62.568   30.139   55.009   18.961 7.559010 35.60731 
1 1 1  -69   23   16 o   25.545   12.271 -664.8975  740.598  2360.37  4541.50 -747.5461  750.646   49.598   24.954   25.238   12.181 24.36006 27.76877 
1 1 1  -69   25    3 o  114.191   45.096  9203.58  6177.19   0.0000   0.0000  9203.58  6177.19  ?   ?   114.191   45.096 0.000000 45.09595 
1 1 1  -69   25    4 o  145.812   55.178 20237.72  8959.63   0.0000   0.0000 20237.72  8959.63  ?   ?   145.812   55.178 0.000000 55.17797 
1 1 1  -69   25    5 o   31.074   10.071  394.296  290.303   0.0000   0.0000  394.296  290.303  ?   ?    31.074   10.071 0.000000 10.07141 
1 1 1  -69   25    6 o  137.223   14.420  8241.53  1582.61   0.0000   0.0000  8241.53  1582.61  ?   ?   137.223   14.420 0.000000 14.41956 
1 1 1  -69   25    7 o   51.650   14.403  1201.94  626.751 -1569.5909  5363.75  1240.31  631.074   68.641   32.986   52.434   14.388 16.20715 35.98721 
1 1 1  -69   25    8 o   71.098   16.127  2341.79  909.592   0.0000   0.0000  2341.79  909.592  ?   ?    71.098   16.127 0.000000 16.12678 
1 1 1  -69   25    9 o   31.441   13.407   83.655  603.112 -4107.0181  4564.24  158.127  608.447   56.441   27.828   32.535   13.649 23.90617 30.99491 
1 1 1  -69   25   10 o   61.573   16.868  1832.82  868.217  2214.17  5421.42  1822.78  879.569   70.808   33.793   61.325   17.048 9.483109 37.84947 
1 1 1  -69   25   11 o   59.325   17.846  1768.06  929.688  1577.73  4130.80  1778.22  954.167   63.771   30.163   59.357   18.130 4.413841 35.19231 
1 1 1  -69   25   12 o   83.267   18.352  3585.66  1207.38  4423.24  4662.30  3525.45  1250.02   68.150   32.176   81.681   19.176 -13.53069 37.45678 
1 1 1  -69   25   13 o   55.133   19.162  1699.43  1049.93  3878.36  5077.57  1602.10  1073.12   61.319   30.056   53.678   19.307 7.641689 35.72302 
1 1 1  -69   25   14 o  114.519   20.438  7713.64  1830.70 -992.9220  6246.08  8531.88  1914.80   50.856   25.959  120.890   20.221 -70.03362 32.90594 
1 1 1  -69   27    1 o  118.352   47.875 12382.88  7133.12   0.0000   0.0000 12382.88  7133.12  ?   ?   118.352   47.875 0.000000 47.87461 
1 1 1  -69   27    2 o   93.884   40.533  5764.82  5641.29   0.0000   0.0000  5764.82  5641.29  ?   ?    93.884   40.533 0.000000 40.53289 
1 1 1  -69   27    3 o   53.953   26.607 -5472.0850  4181.20   0.0000   0.0000 -5472.0850  4181.20  ?   ?    53.953   26.607 0.000000 26.60746 
1 1 1  -69   27    4 o  106.566   44.200  9938.22  6275.05   0.0000   0.0000  9938.22  6275.05  ?   ?   106.566   44.200 0.000000 44.19976 
1 1 1  -69   27    5 o   56.193   14.609  1439.47  672.727   0.0000   0.0000  1439.47  672.727  ?   ?    56.193   14.609 0.000000 14.60854 
1 1 1  -69   27    6 o   58.111   15.705  1568.52  758.689   0.0000   0.0000  1568.52  758.689  ?   ?    58.111   15.705 0.000000 15.70547 
1 1 1  -69   27    7 o   52.494   15.785  1281.22  727.423   0.0000   0.0000  1281.22  727.423  ?   ?    52.494   15.785 0.000000 15.78481 
1 1 1  -69   27    8 o  111.806   16.910  5913.77  1487.16 -2883.3779  7893.94  6237.49  1514.28   66.743   33.486  115.057   16.697 -48.31401 37.41818 
1 1 1  -69   27    9 o  136.475   17.404  9008.39  1884.72  7638.94  7742.75  9094.64  1943.17   77.002   37.609  136.426   17.980 -59.42368 41.68627 
1 1 1  -69   27   10 o   51.123   25.699 -4803.6851  4762.04 -7650.9761  5399.27  5168.10 10104.28   50.210   25.483   67.968   34.533 -17.75876 42.91795 
1 1 1  -69   27   11 o   55.182   19.116  1655.76  1044.49 -8855.8633  7083.94  1889.36  1056.04   51.603   26.441   58.541   19.221 -6.937725 32.68965 
1 1 1  -69   27   12 o   46.993   18.498  1137.98  1036.17 -8731.6670  5732.94  1471.28  1053.52   45.879   23.527   51.193   19.013 -5.313648 30.24937 
1 1 1  -69   29    1 o  107.276   45.937 13074.91  7134.63   0.0000   0.0000 13074.91  7134.63  ?   ?   107.276   45.937 0.000000 45.93740 
1 1 1  -69   29    2 o   96.481   43.457 10311.65  7170.25   0.0000   0.0000 10311.65  7170.25  ?   ?    96.481   43.457 0.000000 43.45689 
1 1 1  -69   29    3 o   47.954   24.211 -9199.9404  4487.18   0.0000   0.0000 -9199.9404  4487.18  ?   ?    47.954   24.211 0.000000 24.21115 
1 1 1  -69   29    4 o   78.366   37.775  4363.27  7163.57   0.0000   0.0000  4363.27  7163.57  ?   ?    78.366   37.775 0.000000 37.77518 
1 1 1  -69   29    5 o   37.977   14.719  500.522  647.941   0.0000   0.0000  500.522  647.941  ?   ?    37.977   14.719 0.000000 14.71933 
1 1 1  -69   29    6 o  108.687   17.900  5751.03  1524.67   0.0000   0.0000  5751.03  1524.67  ?   ?   108.687   17.900 0.000000 17.89996 
1 1 1  -69   29    7 o   75.133   19.350  2934.41  1187.64   0.0000   0.0000  2934.41  1187.64  ?   ?    75.133   19.350 0.000000 19.35027 
1 1 1  -69   29    8 o   27.189   12.916 -716.8303  773.328  8353.63  9060.42 -783.3936  776.160   70.287   35.348   26.816   12.795 43.47083 37.59219 
1 1 1  -69   29    9 o   35.556   15.587  148.137  861.551 -1015.3640  8306.84  160.788  866.222   58.723   29.972   35.748   15.652 22.97513 33.81257 
1 1 1  -69   29   10 o   40.411   17.341  520.987  1020.54 15194.88  8111.89  284.999  1028.71   68.738   34.410   38.324   16.909 30.41382 38.33968 
1 1 1  -69   31    1 o   40.133   20.510 -11989.9600  4005.96   0.0000   0.0000 -11989.9600  4005.96  ?   ?    40.133   20.510 0.000000 20.51026 
1 1 1  -69   31    2 o   63.640   31.673 -766.6365  6454.32   0.0000   0.0000 -766.6365  6454.32  ?   ?    63.640   31.673 0.000000 31.67349 
1 1 1  -69   31    3 o   73.164   36.286  6705.65  8179.33   0.0000   0.0000  6705.65  8179.33  ?   ?    73.164   36.286 0.000000 36.28589 
1 1 1  -69   31    4 o   58.354   29.554 -4425.7402  7010.52   0.0000   0.0000 -4425.7402  7010.52  ?   ?    58.354   29.554 0.000000 29.55397 
1 1 1  -69   31    5 o   63.892   32.082  2180.69  7317.93   0.0000   0.0000  2180.69  7317.93  ?   ?    63.892   32.082 0.000000 32.08181 
1 1 1  -69   31    6 o   62.879   32.012  3507.07  9011.84   0.0000   0.0000  3507.07  9011.84  ?   ?    62.879   32.012 0.000000 32.01227 
1 1 1  -68    0    1 f  129.481   25.794  7640.09  2407.70   0.0000   0.0000  7640.09  2407.70  129.481   25.794  129.481   25.794 -0.000000 0.000000 
1 1 1  -68    0    2 o  211.516   25.495 19173.54  4209.96 19173.54  4209.96   0.0000   0.0000  211.516   25.495  211.516   25.495 0.000000 0.000000 
1 1 1  -68    0    3 o  263.194   28.095 29520.38  5831.67 29520.38  5831.67   0.0000   0.0000  263.194   28.095  263.194   28.095 0.000000 0.000000 
1 1 1  -68    0    4 o  284.381   17.159 33397.16  3929.13 33397.16  3929.13   0.0000   0.0000  284.381   17.159  284.381   17.159 0.000000 0.000000 
1 1 1  -68    0    5 o   49.125   14.850  1217.65  516.706   0.0000   0.0000  1217.65  516.706   49.125   14.850   49.125   14.850 -0.000000 0.000000 
1 1 1  -68    0    6 o   94.373   12.093  3801.59  885.006  3801.59  885.006   0.0000   0.0000   94.373   12.093   94.373   12.093 0.000000 0.000000 
1 1 1  -68    0    7 o  365.685   26.956 56149.36  7904.04   0.0000   0.0000 56149.36  7904.04  365.685   26.956  365.685   26.956 -0.000000 0.000000 
1 1 1  -68    0    8 o  174.874   15.595 12791.11  2173.90 12791.11  2173.90   0.0000   0.0000  174.874   15.595  174.874   15.595 0.000000 0.000000 
1 1 1  -68    0    9 o   12.803   9.1709 -709.7007  444.021   0.0000   0.0000 -709.7007  444.021   12.803   9.1709   12.803   9.1709 -0.000000 0.000000 
1 1 1  -68    0   10 o   48.889   20.985  1398.96  853.001  1398.96  853.001   0.0000   0.0000   48.889   20.985   48.889   20.985 0.000000 0.000000 
1 1 1  -68    0   11 o   23.288   15.353 -145.4679  744.742 -145.4679  744.742   0.0000   0.0000   23.288   15.353   23.288   15.353 0.000000 0.000000 
1 1 1  -68    0   12 o  216.979   18.882 19902.03  3268.60 19902.03  3268.60   0.0000   0.0000  216.979   18.882  216.979   18.882 0.000000 0.000000 
1 1 1  -68    0   13 f   75.498   21.422  2857.86  1137.60   0.0000   0.0000  2857.86  1137.60   75.498   21.422   75.498   21.422 -0.000000 0.000000 
1 1 1  -68    0   14 o   25.473   16.808 -165.4262  895.601   0.0000   0.0000 -165.4262  895.601   25.473   16.808   25.473   16.808 -0.000000 0.000000 
1 1 1  -68    0   15 o   82.189   21.351  3318.67  1231.32   0.0000   0.0000  3318.67  1231.32   82.189   21.351   82.189   21.351 -0.000000 0.000000 
1 1 1  -68    0   16 o   21.906   15.320 -969.5884  1010.46   0.0000   0.0000 -969.5884  1010.46   21.906   15.320   21.906   15.320 -0.000000 0.000000 
1 1 1  -68    0   17 o   92.552   24.613  4315.08  1598.12   0.0000   0.0000  4315.08  1598.12   92.552   24.613   92.552   24.613 -0.000000 0.000000 
1 1 1  -68    0   18 o   46.287   25.149  1369.45  1332.23  1369.45  1332.23   0.0000   0.0000   46.287   25.149   46.287   25.149 0.000000 0.000000 
1 1 1  -68    0   19 o  103.568   25.474  5415.80  1854.94   0.0000   0.0000  5415.80  1854.94  103.568   25.474  103.568   25.474 -0.000000 0.000000 
1 1 1  -68    0   20 o   82.966   26.646  3853.36  1583.82   0.0000   0.0000  3853.36  1583.82   82.966   26.646   82.966   26.646 -0.000000 0.000000 
1 1 1  -68    0   21 o   23.297   16.448 -1276.4821  1251.81   0.0000   0.0000 -1276.4821  1251.81   23.297   16.448   23.297   16.448 -0.000000 0.000000 
1 1 1  -68    0   22 o   33.435   22.622 -229.5317  1811.70 -229.5317  1811.70   0.0000   0.0000   33.435   22.622   33.435   22.622 0.000000 0.000000 
1 1 1  -68    2    1 o  223.720   16.718 20648.31  3014.95 20220.24  4154.99 21124.34  4381.60  219.632   23.673  224.311   24.453 -4.678696 34.03492 
1 1 1  -68    2    2 o  786.756   39.165 266542.91 25019.39 274601.41 30447.72 249789.30 43901.65  786.431   47.911  702.504   78.297 83.92633 91.79249 
1 1 1  -68    2    3 o  263.494   17.399 28659.22  3701.64 31999.91  4338.94 19726.32  7095.17  277.966   19.345  209.300   43.183 68.66667 47.31796 
1 1 1  -68    2    4 o  645.972   22.576 173196.50 11841.11 173269.91 16772.87 173123.50 16718.97  637.977   32.487  637.794   32.391 0.1824951 45.87512 
1 1 1  -68    2    5 o  266.883   19.719 29599.90  4242.95   0.0000   0.0000 29599.90  4242.95  ?   ?   266.883   19.719 0.000000 19.71944 
1 1 1  -68    2    6 o  325.316   16.876 43713.77  4442.48 41213.33  6347.18 46114.98  6219.99  312.565   25.224  331.652   23.245 -19.08688 34.30120 
1 1 1  -68    2    7 o  230.290   12.774 21801.11  2379.13 20112.01  3424.15 23377.60  3308.04  219.362   19.425  237.300   17.287 -17.93834 26.00385 
1 1 1  -68    2    8 o  170.045   10.561 11872.34  1450.95 12121.57  2117.99 11651.94  1991.73  170.754   15.443  167.551   14.792 3.203125 21.38463 
1 1 1  -68    2    9 o   76.108   10.212  2412.88  615.136  2286.88  949.053  2504.15  807.789   72.865   16.433   76.905   13.425 -4.040077 21.21931 
1 1 1  -68    2   10 o  237.316   13.397 23348.57  2570.94 24479.18  3710.25 22304.30  3565.76  240.457   19.162  229.384   19.325 11.07280 27.21471 
1 1 1  -68    2   11 o   98.151   10.286  4004.72  807.544  4005.20  1220.24  4004.35  1077.17   96.580   16.129   97.184   14.059 -0.6040573 21.39660 
1 1 1  -68    2   12 o   70.260   13.376  2123.42  735.220  1708.54  1094.81  2464.21  992.257   62.832   19.459   74.917   16.734 -12.08493 25.66472 
1 1 1  -68    2   13 o  170.529   11.821 12173.87  1626.70 11820.02  2328.16 12511.38  2273.80  165.026   17.648  170.420   16.645 -5.393570 24.25926 
1 1 1  -68    2   14 o   67.849   14.785  2030.93  791.497  2849.16  1200.33  1401.45  1052.82   79.132   18.935   57.272   19.206 21.85937 26.97029 
1 1 1  -68    2   15 o   45.650   15.993  835.442  732.067  1868.67  1099.72   13.234  981.016   63.897   19.452   38.917   16.852 24.97998 25.73678 
1 1 1  -68    2   16 o   73.543   14.650  2422.31  844.090  3664.69  1323.84  1571.23  1095.70   88.461   18.998   58.805   19.592 29.65631 27.29063 
1 1 1  -68    2   17 o   77.157   15.073  2712.83  910.464  3708.86  1216.44  1444.14  1372.88   89.034   17.451   57.395   21.628 31.63921 27.78999 
1 1 1  -68    2   18 o  130.663   14.091  7701.90  1471.33  6387.54  2101.33  8966.05  2060.80  108.612   24.420  135.582   19.261 -26.96980 31.10226 
1 1 1  -68    2   19 o   20.213   10.167 -2092.1760  750.808 -1112.0081  1330.82 -2549.8059  909.342   34.966   16.703   22.020   11.090 12.94602 20.04919 
1 1 1  -68    2   20 o   30.582   14.279 -453.8798  875.108 -754.7416  1553.58 -314.0536  1059.12   38.230   18.202   34.515   15.976 3.715012 24.21850 
1 1 1  -68    2   21 o   41.410   12.410  847.237  450.187 -2626.0100  1494.23  1193.99  472.125   29.503   14.769   49.485   11.897 -19.98250 18.96442 
1 1 1  -68    2   22 o   46.335   19.755  1636.14  1309.11  682.846  2009.43  2339.11  1725.55   41.075   19.851   49.479   21.862 -8.404137 29.52920 
1 1 1  -68    4    1 o  275.246   15.082 31126.16  3357.79 31961.29  3920.36 28826.45  6505.52  278.377   17.432  259.725   31.492 18.65170 35.99487 
1 1 1  -68    4    2 o  210.139   12.059 18092.62  2049.01 17108.64  2336.42 21370.32  4264.25  203.962   14.196  225.724   23.616 -21.76276 27.55444 
1 1 1  -68    4    3 o  256.107   14.264 26941.74  2954.51 27461.34  3429.56 25446.20  5818.40  258.084   16.452  244.092   29.988 13.99211 34.20414 
1 1 1  -68    4    4 o  522.034   22.020 113078.00  9333.63 111110.00 11215.91 117510.40 16832.21  514.078   26.964  517.952   40.342 -3.874329 48.52317 
1 1 1  -68    4    5 o  143.380   9.2554  8415.76  1071.76  7492.37  1625.35  9126.15  1425.61  134.264   15.175  148.949   11.887 -14.68451 19.27649 
1 1 1  -68    4    6 o  320.881   23.410 43250.10  6057.32   0.0000   0.0000 43250.10  6057.32  ?   ?   320.881   23.410 0.000000 23.41018 
1 1 1  -68    4    7 o  232.218   12.559 22167.03  2359.19 23615.23  3469.29 20921.28  3217.68  238.163   18.075  224.168   17.825 13.99472 25.38589 
1 1 1  -68    4    8 o  207.461   11.906 17706.32  1997.23 18093.05  2961.71 17383.78  2704.77  208.096   17.696  204.346   16.441 3.749420 24.15474 
1 1 1  -68    4    9 o  364.346   19.344 55770.21  5702.09 52273.23  8186.73 59065.05  7946.59  345.149   29.495  369.492   26.666 -24.34323 39.76282 
1 1 1  -68    4   10 o  180.000   11.530 13392.09  1676.28 11929.52  2493.06 14598.90  2264.61  167.427   18.656  186.827   15.056 -19.39966 23.97370 
1 1 1  -68    4   11 o   81.113   10.470  2752.54  673.455  3318.79  1136.60  2446.18  836.010   87.523   16.601   75.487   14.160 12.03678 21.81954 
1 1 1  -68    4   12 o   35.560   12.470  470.249  445.125 -1118.1281  863.673  1044.76  519.424   28.136   13.444   49.174   12.862 -21.03792 18.60616 
1 1 1  -68    4   13 o   39.794   14.323  577.076  590.660  709.831  948.289  492.923  755.005   46.848   17.898   41.001   15.890 5.847527 23.93335 
1 1 1  -68    4   14 o   63.105   14.027  1752.33  700.098  2366.88  1139.42  1379.61  887.360   71.987   19.157   56.124   17.541 15.86274 25.97444 
1 1 1  -68    4   15 o  167.791   12.202 11970.97  1651.09 12610.34  2473.42 11457.07  2217.47  167.520   18.492  160.583   17.279 6.936401 25.30850 
1 1 1  -68    4   16 o   34.451   13.812  295.113  588.029 -3616.4871  1132.55  1738.76  688.035   23.809   12.038   62.282   13.952 -38.47280 18.42706 
1 1 1  -68    4   17 o  135.767   9.1071  7778.56  998.139  7241.03  2173.74  7922.18  1123.59  119.534   23.233  136.355   10.223 -16.82165 25.38300 
1 1 1  -68    4   18 o   25.167   9.7687  184.765  285.712  715.594  1409.50  162.019  291.769   49.013   20.680   24.809   9.7997 24.20490 22.88413 
1 1 1  -68    4   19 o  122.680   9.3870  6505.39  927.962  5857.83  2197.38  6645.94  1023.73   96.032   27.035  123.230   10.326 -27.19812 28.93991 
1 1 1  -68    4   20 o   83.210   10.017  3092.81  663.172  1720.20  1950.61  3272.21  705.179   54.442   23.669   85.324   10.393 -30.88197 25.85022 
1 1 1  -68    4   21 o   18.765   8.6805 -193.3776  311.961 -229.5816  1761.98 -192.2060  316.968   39.804   19.069   18.954   8.7614 20.84985 20.98518 
1 1 1  -68    4   22 o   31.121   11.901  441.658  419.568  544.398  1994.19  436.900  429.174   40.120   19.480   31.102   12.001 9.017994 22.88016 
1 1 1  -68    6    1 f   56.922   12.928  1377.15  583.884  540.895  607.513 11504.47  2114.13   40.021   14.508  166.732   15.805 -126.7111 21.45407 
1 1 1  -68    6    2 o  103.677   10.761  4432.40  892.677  4432.40  892.677   0.0000   0.0000  103.677   10.761  ?   ?  0.000000 10.76084 
1 1 1  -68    6    3 o  174.905   12.514 12570.92  1765.47 12570.92  1765.47   0.0000   0.0000  174.905   12.514  ?   ?  0.000000 12.51406 
1 1 1  -68    6    4 o  117.632   12.137  5716.62  1142.62  5716.62  1142.62   0.0000   0.0000  117.632   12.137  ?   ?  0.000000 12.13737 
1 1 1  -68    6    5 f  146.947   14.812  8954.23  1743.25  8954.23  1743.25   0.0000   0.0000  146.947   14.812  ?   ?  0.000000 14.81234 
1 1 1  -68    6    6 o  216.249   12.825 19232.82  2241.77 15585.70  3332.22 22248.30  3029.96  192.180   21.736  231.787   16.201 -39.60655 27.11012 
1 1 1  -68    6    7 o  262.794   19.565 28895.73  4144.92   0.0000   0.0000 28895.73  4144.92  ?   ?   262.794   19.565 0.000000 19.56526 
1 1 1  -68    6    8 o  177.706   10.853 12985.42  1558.53 12913.94  2388.76 13038.39  2056.54  175.630   16.962  177.219   14.417 -1.589371 22.26097 
1 1 1  -68    6    9 o   44.861   10.926  858.932  394.295  643.213  780.122  932.946  456.958   44.192   16.371   46.741   11.984 -2.548553 20.28889 
1 1 1  -68    6   10 o  211.960   12.783 18648.31  2189.77 16032.85  3256.73 20806.43  2958.33  192.819   21.149  222.347   16.504 -29.52769 26.82613 
1 1 1  -68    6   11 o  293.388   16.093 36328.23  3818.95 36263.42  5545.00 36386.71  5267.32  286.548   24.055  288.315   22.683 -1.767242 33.06310 
1 1 1  -68    6   12 o  115.300   10.508  5542.74  972.949  5853.37  1551.38  5341.36  1249.14  116.199   16.941  112.029   14.041 4.170052 22.00333 
1 1 1  -68    6   13 o  105.422   10.945  4669.30  923.223  5361.07  1496.14  4243.92  1173.23  110.501   17.238   98.979   15.074 11.52193 22.89909 
1 1 1  -68    6   14 o  175.447   12.048 13000.68  1705.94 13010.37  2602.75 12993.38  2258.77  170.680   19.109  172.680   16.303 -1.999802 25.11808 
1 1 1  -68    6   15 o   87.830   8.1742  3220.14  576.257  1712.50  1475.36  3491.55  625.982   62.614   22.622   91.376   8.5360 -28.76199 24.17926 
1 1 1  -68    6   16 o  107.558   8.0408  4831.42  697.150 11785.37  1719.86  3464.15  762.613  165.035   12.938   89.999   10.642 75.03594 16.75242 
1 1 1  -68    6   17 o   27.156   10.401  227.527  320.768  528.465  1309.23  208.309  330.852   47.218   19.927   26.979   10.501 20.23898 22.52437 
1 1 1  -68    6   18 o   14.566   6.9396 -282.2574  226.567 -454.7693  1408.03 -277.6719  229.559   40.243   18.554   14.759   7.0184 25.48400 19.83745 
1 1 1  -68    6   19 o   51.365   10.752  1194.15  434.055 -965.5553  1655.71  1353.54  449.786   39.482   18.796   54.902   10.472 -15.42044 21.51627 
1 1 1  -68    6   20 o   39.805   11.686  746.980  402.487  1692.29  1759.95  694.812  413.444   53.393   22.838   38.474   11.965 14.91961 25.78281 
1 1 1  -68    6   21 o   17.941   8.3932 -236.2434  304.771  3102.09  1854.34 -328.9246  308.972   58.834   24.178   17.066   8.1232 41.76773 25.50581 
1 1 1  -68    6   22 o   18.615   8.6155 -163.2240  307.917   35.837  2022.23 -167.9487  311.550   37.903   18.656   18.674   8.6512 19.22918 20.56401 
1 1 1  -68    8    1 o  340.212   31.320 49502.72  8554.80   0.0000   0.0000 49502.72  8554.80  ?   ?   340.212   31.320 0.000000 31.32031 
1 1 1  -68    8    2 o  192.441   27.981 15884.27  4244.10   0.0000   0.0000 15884.27  4244.10  ?   ?   192.441   27.981 0.000000 27.98085 
1 1 1  -68    8    3 o  278.956   30.433 33393.52  6781.23   0.0000   0.0000 33393.52  6781.23  ?   ?   278.956   30.433 0.000000 30.43260 
1 1 1  -68    8    4 o  223.574   13.859 20578.58  2503.49 20029.57  2831.79 22543.01  5356.61  220.063   15.956  228.729   29.532 -8.665573 33.56722 
1 1 1  -68    8    5 o  153.123   14.001  9705.54  1721.47  9181.56  1849.91 13090.73  4702.02  148.557   15.567  170.888   35.063 -22.33070 38.36332 
1 1 1  -68    8    6 o  101.164   14.006  4284.74  1119.60  4284.74  1119.60   0.0000   0.0000  101.164   14.006  ?   ?  0.000000 14.00590 
1 1 1  -68    8    7 o  195.910   11.679 15795.91  1849.29 14651.83  2819.11 16660.10  2450.12  186.619   18.864  200.302   15.178 -13.68353 24.21138 
1 1 1  -68    8    8 o  238.199   13.670 23490.58  2632.90 21234.68  3931.93 25324.35  3545.01  223.013   22.001  245.687   17.893 -22.67390 28.35840 
1 1 1  -68    8    9 o  291.777   15.980 35603.27  3771.41 33978.02  5535.93 37010.84  5151.91  279.489   24.647  293.913   21.742 -14.42358 32.86605 
1 1 1  -68    8   10 f  365.532   19.438 57029.31  5748.42 56886.96  8323.12 57159.14  7948.77  354.521   29.173  357.264   27.616 -2.743896 40.17069 
1 1 1  -68    8   11 o  257.085   14.168 27748.24  2946.15 29937.22  4378.07 25936.60  3982.89  262.247   20.729  244.378   20.255 17.86945 28.98228 
1 1 1  -68    8   12 o  184.910   11.796 14293.09  1761.89 15133.16  2737.38 13698.93  2302.13  186.620   18.301  178.860   16.022 7.759247 24.32282 
1 1 1  -68    8   13 f  257.295   11.860 27712.48  2477.83 27928.23  4628.18 27625.79  2933.69  247.105   23.343  254.866   14.233 -7.760376 27.34044 
1 1 1  -68    8   14 f  199.897   10.346 16722.11  1673.49 13801.20  3283.21 17747.34  1945.14  170.523   24.409  205.084   11.730 -34.56047 27.08087 
1 1 1  -68    8   15 o  130.801   8.7618  7144.42  925.175  5216.96  2010.97  7661.93  1042.00  102.373   24.516  135.123   9.5590 -32.75070 26.31404 
1 1 1  -68    8   16 o   48.882   10.595  1047.43  408.395 -1328.2080  1399.50  1268.56  426.979   36.494   17.347   54.064   10.098 -17.57081 20.07178 
1 1 1  -68    8   17 o  117.666   8.6389  5847.33  819.604  5264.04  2031.73  5960.70  895.720   98.161   25.324  118.394   9.3948 -20.23319 27.01014 
1 1 1  -68    8   18 o   79.434   9.1655  2718.95  580.310  1428.62  1765.65  2875.22  614.445   56.506   23.442   81.563   9.4531 -25.05779 25.27615 
1 1 1  -68    8   19 o   63.852   10.470  1827.95  524.016  2116.55  1817.25  1801.78  547.262   59.518   24.133   63.032   11.098 -3.513767 26.56283 
1 1 1  -68    8   20 o   52.431   11.109  1289.64  458.234  2025.49  1911.91  1244.79  471.991   54.617   23.588   51.174   11.624 3.443024 26.29683 
1 1 1  -68    8   21 o   15.687   7.7458 -695.9976  358.124 -204.4922  1930.31 -713.5184  364.451   39.553   19.196   15.778   7.7951 23.77451 20.71830 
1 1 1  -68   10    1 o  255.510   28.536 27968.95  5819.12   0.0000   0.0000 27968.95  5819.12  ?   ?   255.510   28.536 0.000000 28.53607 
1 1 1  -68   10    2 o  154.305   30.739 10483.42  3716.07   0.0000   0.0000 10483.42  3716.07  ?   ?   154.305   30.739 0.000000 30.73922 
1 1 1  -68   10    3 o   77.262   30.688  1531.34  2875.79   0.0000   0.0000  1531.34  2875.79  ?   ?    77.262   30.688 0.000000 30.68783 
1 1 1  -68   10    4 o  298.650   32.993 39031.09  7866.94   0.0000   0.0000 39031.09  7866.94  ?   ?   298.650   32.993 0.000000 32.99268 
1 1 1  -68   10    5 o   39.418   13.957  556.594  558.695  533.133  566.075  1438.86  3471.37   39.091   14.026   81.384   33.220 -42.29323 36.05987 
1 1 1  -68   10    6 o  234.959   20.180 23268.71  3812.50 23268.71  3812.50   0.0000   0.0000  234.959   20.180  ?   ?  0.000000 20.17970 
1 1 1  -68   10    7 o  246.471   20.868 25776.82  4137.08 25776.82  4137.08   0.0000   0.0000  246.471   20.868  ?   ?  0.000000 20.86834 
1 1 1  -68   10    8 o  155.416   13.072 10047.09  1634.27   0.0000   0.0000 10047.09  1634.27  ?   ?   155.416   13.072 0.000000 13.07198 
1 1 1  -68   10    9 f  215.212   12.473 19224.36  2170.21 19294.82  3334.63 19172.59  2858.38  212.281   19.567  213.119   16.650 -0.8383636 25.69209 
1 1 1  -68   10   10 o  283.214   16.030 33883.51  3671.09 31624.01  5445.78 35765.57  4970.16  265.810   25.547  286.612   21.514 -20.80109 33.39868 
1 1 1  -68   10   11 o  188.595   12.076 14859.27  1839.59 13560.94  2899.98 15733.50  2379.65  175.406   20.765  192.442   15.357 -17.03561 25.82648 
1 1 1  -68   10   12 o   77.039   7.2727  2456.32  449.547  3957.35  1259.33  2237.11  481.254   94.786   16.987   73.288   8.2295 21.49754 18.87528 
1 1 1  -68   10   13 o   92.386   7.5901  3535.74  564.336  2874.47  1475.17  3649.11  610.799   78.313   22.188   93.736   8.1049 -15.42337 23.62165 
1 1 1  -68   10   14 o   61.677   9.3157  1615.24  451.988  1161.96  1498.21  1660.62  474.077   56.989   22.300   62.456   9.6602 -5.466278 24.30272 
1 1 1  -68   10   15 o  133.376   8.5601  7431.31  922.136  6903.42  2114.35  7555.31  1024.73  119.183   22.677  134.067   9.4744 -14.88443 24.57680 
1 1 1  -68   10   16 o  120.304   8.9682  6102.47  869.749  6500.45  2199.04  6028.67  946.964  111.634   24.894  119.102   9.8813 -7.468216 26.78387 
1 1 1  -68   10   17 o  104.497   8.8847  4641.68  746.702  5266.89  1969.19  4536.69  806.968   97.876   24.760  102.817   9.7841 -4.941177 26.62321 
1 1 1  -68   10   18 o   97.493   9.1122  4095.21  712.968  3845.45  2049.10  4129.61  760.486   77.305   26.775   97.515   9.7347 -20.21053 28.48969 
1 1 1  -68   10   19 o   29.207   10.885  321.709  345.876 -2327.9480  1809.70  422.166  352.371   35.389   17.462   31.675   11.096 3.713272 20.68904 
1 1 1  -68   10   20 o   84.292   10.599  3275.97  709.388  3615.20  2285.44  3239.80  746.246   61.870   26.231   83.121   11.354 -21.25071 28.58261 
1 1 1  -68   10   21 o   63.081   12.352  2016.17  610.032 -1201.1970  2327.22  2253.55  632.137   37.616   18.769   67.098   12.045 -29.48265 22.30166 
1 1 1  -68   12    1 o  177.817   29.659 13884.32  4131.43   0.0000   0.0000 13884.32  4131.43  ?   ?   177.817   29.659 0.000000 29.65939 
1 1 1  -68   12    2 o   97.976   32.663  4054.05  3045.26   0.0000   0.0000  4054.05  3045.26  ?   ?    97.976   32.663 0.000000 32.66349 
1 1 1  -68   12    3 o  161.683   34.474 11865.40  4387.56   0.0000   0.0000 11865.40  4387.56  ?   ?   161.683   34.474 0.000000 34.47377 
1 1 1  -68   12    4 o  249.426   33.252 27736.13  6566.65   0.0000   0.0000 27736.13  6566.65  ?   ?   249.426   33.252 0.000000 33.25208 
1 1 1  -68   12    5 o  209.704   39.545 20616.88  6486.51   0.0000   0.0000 20616.88  6486.51  ?   ?   209.704   39.545 0.000000 39.54511 
1 1 1  -68   12    6 o  100.225   18.026  4319.05  1413.04  3350.32  1481.61 14063.23  4699.01   87.360   21.120  174.419   34.402 -87.05915 40.36789 
1 1 1  -68   12    7 f  130.979   17.275  7297.69  1792.37  7297.69  1792.37   0.0000   0.0000  130.979   17.275  ?   ?  0.000000 17.27491 
1 1 1  -68   12    8 o   62.196   20.035  1623.39  1150.20  1623.39  1150.20   0.0000   0.0000   62.196   20.035  ?   ?  0.000000 20.03549 
1 1 1  -68   12    9 o  100.664   9.2521  4198.04  747.765  3825.41  1583.21  4305.04  848.352   92.375   21.509  101.681   10.423 -9.305939 23.90168 
1 1 1  -68   12   10 o   78.185   6.5537  2516.58  412.214  5093.49  1347.06  2250.35  432.985  108.829   15.698   73.770   7.3255 35.05969 17.32322 
1 1 1  -68   12   11 o  220.959   10.474 20240.37  1879.16 18578.69  3738.66 20802.07  2173.68  202.833   23.113  222.962   12.052 -20.12900 26.06669 
1 1 1  -68   12   12 o  103.688   7.7100  4446.60  644.472  1911.12  1743.05  4848.11  693.625   67.424   24.554  108.231   7.9485 -40.80648 25.80860 
1 1 1  -68   12   13 o  177.689   9.2948 13145.29  1336.38 12597.75  2823.64 13303.34  1517.04  165.402   21.535  178.130   10.536 -12.72867 23.97441 
1 1 1  -68   12   14 o   15.416   7.3773 -356.7175  262.168  1119.90  1432.98 -407.8540  266.669   55.624   21.797   15.082   7.2746 40.54220 22.97930 
1 1 1  -68   12   15 o   26.583   10.508  179.186  335.699  1397.72  1401.54  105.023  345.764   57.541   21.812   25.390   10.438 32.15058 24.18055 
1 1 1  -68   12   16 o   15.823   7.5196 -315.8176  262.685  389.889  1496.49 -338.2533  266.828   47.976   20.794   15.750   7.5112 32.22591 22.10931 
1 1 1  -68   12   17 o  109.326   9.0387  5107.02  795.160  5039.26  2215.97  5117.04  851.895   90.408   27.632  109.011   9.7266 -18.60310 29.29387 
1 1 1  -68   12   18 o   87.729   10.103  3388.14  706.529  3753.59  2134.89  3343.19  748.719   73.688   27.123   86.614   10.887 -12.92568 29.22591 
1 1 1  -68   12   19 o   60.015   11.543  1682.71  542.048  3124.74  2156.97  1585.50  560.019   62.952   25.996   57.691   12.329 5.260746 28.77146 
1 1 1  -68   12   20 o   34.098   13.336  497.055  535.550 -562.6613  2222.67  562.370  551.807   40.782   19.968   35.344   13.616 5.438553 24.16808 
1 1 1  -68   12   21 o   31.570   13.259  389.578  575.136  3585.45  2489.51  209.390  591.128   49.936   23.557   29.459   12.913 20.47758 26.86397 
1 1 1  -68   14    1 o  153.299   32.487 10691.07  3918.10   0.0000   0.0000 10691.07  3918.10  ?   ?   153.299   32.487 0.000000 32.48668 
1 1 1  -68   14    2 o   65.464   28.177  101.758  2709.57   0.0000   0.0000  101.758  2709.57  ?   ?    65.464   28.177 0.000000 28.17748 
1 1 1  -68   14    3 o  198.576   34.967 18103.89  5431.99   0.0000   0.0000 18103.89  5431.99  ?   ?   198.576   34.967 0.000000 34.96662 
1 1 1  -68   14    4 o  328.496   37.161 49931.13  9737.50   0.0000   0.0000 49931.13  9737.50  ?   ?   328.496   37.161 0.000000 37.16074 
1 1 1  -68   14    5 o  268.051   37.629 33791.87  7964.33   0.0000   0.0000 33791.87  7964.33  ?   ?   268.051   37.629 0.000000 37.62920 
1 1 1  -68   14    6 o  198.994   19.850 16943.97  3164.46 12513.65  3634.60 30822.91  6433.06  166.646   27.843  260.299   31.050 -93.65321 41.70570 
1 1 1  -68   14    7 o   39.077   15.705  321.830  762.227  321.830  762.227   0.0000   0.0000   39.077   15.705  ?   ?  0.000000 15.70491 
1 1 1  -68   14    8 o   65.012   19.243  1844.23  1087.42  1844.23  1087.42   0.0000   0.0000   65.012   19.243  ?   ?  0.000000 19.24326 
1 1 1  -68   14    9 o  163.222   11.175 11086.84  1472.06 11409.26  2649.56 10942.88  1770.46  160.984   20.753  161.193   13.655 -0.2097626 24.84280 
1 1 1  -68   14   10 o   47.400   8.4253  950.970  312.385  1753.17  1404.03  909.191  320.416   64.433   22.172   46.237   8.8571 18.19537 23.87566 
1 1 1  -68   14   11 o  113.449   7.8537  5319.71  719.013  1400.28  2018.05  5889.60  769.512   64.615   25.694  119.362   7.9859 -54.74765 26.90603 
1 1 1  -68   14   12 o   20.778   8.8449   5.7204  261.685  631.177  1451.23 -15.2998  266.046   51.815   21.352   20.541   8.8353 31.27458 23.10810 
1 1 1  -68   14   13 o   97.078   8.0619  3924.91  629.724  3834.71  1862.37  3936.55  669.136   87.741   24.955   97.062   8.5787 -9.320869 26.38827 
1 1 1  -68   14   14 o  139.035   8.9937  8101.70  1009.88  3897.62  2696.09  8787.81  1089.17   84.020   30.547  144.658   9.3225 -60.63792 31.93775 
1 1 1  -68   14   15 o  102.377   8.6733  4418.53  714.203  3122.69  2394.11  4545.12  748.274   75.386   28.524  103.708   8.9745 -28.32253 29.90245 
1 1 1  -68   14   16 o  110.309   9.2837  5190.95  823.781  4061.71  2430.55  5337.51  875.606   80.559   29.047  111.584   9.7625 -31.02515 30.64376 
1 1 1  -68   14   17 o  110.411   9.3418  5258.08  829.641  6331.13  2601.72  5136.62  875.338   95.454   30.069  108.636   10.037 -13.18223 31.69959 
1 1 1  -68   14   18 o   74.063   11.129  2491.01  648.581  2155.00  2705.41  2511.50  668.063   58.546   26.502   74.138   11.468 -15.59187 28.87665 
1 1 1  -68   14   19 o   57.792   13.977  1691.83  648.713  726.731  2543.02  1759.01  670.910   47.991   22.969   58.759   14.216 -10.76737 27.01286 
1 1 1  -68   14   20 o   45.030   14.600  1124.60  610.039  2315.30  2556.17  1052.69  628.191   48.575   23.188   43.485   14.834 5.090096 27.52715 
1 1 1  -68   16    1 f  204.265   32.652 19090.95  5233.16   0.0000   0.0000 19090.95  5233.16  ?   ?   204.265   32.652 0.000000 32.65207 
1 1 1  -68   16    2 o   61.711   27.667 -836.1804  2868.96   0.0000   0.0000 -836.1804  2868.96  ?   ?    61.711   27.667 0.000000 27.66733 
1 1 1  -68   16    3 o   59.629   27.755 -2339.2451  3265.44   0.0000   0.0000 -2339.2451  3265.44  ?   ?    59.629   27.755 0.000000 27.75499 
1 1 1  -68   16    4 o  381.282   42.554 71839.57 12949.62   0.0000   0.0000 71839.57 12949.62  ?   ?   381.282   42.554 0.000000 42.55442 
1 1 1  -68   16    5 o  184.691   41.778 17311.61  6118.60   0.0000   0.0000 17311.61  6118.60  ?   ?   184.691   41.778 0.000000 41.77819 
1 1 1  -68   16    6 o  106.416   26.786  5230.72  2312.84  2896.56  2533.40 16911.67  5667.32   82.940   29.682  183.457   39.233 -100.5169 49.19654 
1 1 1  -68   16    7 o  174.319   21.310 13335.92  2953.40 11155.47  3353.21 20878.97  6236.79  155.451   27.576  202.646   39.322 -47.19501 48.02786 
1 1 1  -68   16    8 o  166.906   13.829 11746.88  1857.20  3835.81  3430.76 15026.17  2208.83   92.216   34.299  188.542   14.541 -96.32560 37.25343 
1 1 1  -68   16    9 o  218.580   14.926 20301.19  2633.19 16019.05  4406.98 22678.80  3283.83  181.415   31.033  228.967   17.803 -47.55234 35.77729 
1 1 1  -68   16   10 o  153.880   8.6353  9797.88  1074.58  9114.81  2771.28  9918.76  1165.79  138.969   25.499  154.587   9.3315 -15.61772 27.15323 
1 1 1  -68   16   11 o   38.276   9.2902  631.260  285.813  663.750  1440.89  629.930  291.607   52.051   21.342   38.227   9.4488 13.82359 23.34041 
1 1 1  -68   16   12 o   92.285   8.0857  3547.93  599.767  2638.49  2076.72  3630.69  626.461   74.548   26.854   93.282   8.3597 -18.73409 28.12470 
1 1 1  -68   16   13 o  241.241   12.435 24915.20  2427.40 18501.86  5106.56 26787.35  2759.04  176.195   36.878  248.785   13.711 -72.59018 39.34417 
1 1 1  -68   16   14 o  134.401   12.622  7856.30  1361.28  6431.28  2865.72  8271.55  1546.96  103.839   31.354  136.811   14.129 -32.97192 34.39067 
1 1 1  -68   16   15 o   77.875   13.269  2726.32  808.918  1617.67  2153.69  2908.41  872.823   61.544   25.741   80.112   13.923 -18.56802 29.26501 
1 1 1  -68   16   16 f   74.248   14.154  2561.28  822.144  2034.20  2304.73  2638.13  880.041   62.524   26.415   74.811   15.010 -12.28683 30.38195 
1 1 1  -68   16   17 o   88.702   14.135  3722.34  983.862  1173.34  2638.14  4134.13  1060.36   55.417   25.494   93.240   14.475 -37.82281 29.31728 
1 1 1  -68   16   18 f   40.593   15.150  768.623  670.497 -1755.7480  2475.73  968.436  696.528   41.578   20.499   44.021   15.584 -2.442554 25.74999 
1 1 1  -68   16   19 o   77.815   16.276  3328.09  995.336  4327.27  3030.82  3207.30  1053.78   57.312   26.697   74.370   17.705 -17.05880 32.03487 
1 1 1  -68   18    1 o   95.404   34.968  3875.92  3543.22   0.0000   0.0000  3875.92  3543.22  ?   ?    95.404   34.968 0.000000 34.96776 
1 1 1  -68   18    2 o  196.777   37.182 18790.04  5723.04   0.0000   0.0000 18790.04  5723.04  ?   ?   196.777   37.182 0.000000 37.18152 
1 1 1  -68   18    3 o  171.773   41.437 15115.36  5712.67   0.0000   0.0000 15115.36  5712.67  ?   ?   171.773   41.437 0.000000 41.43688 
1 1 1  -68   18    4 o  151.738   43.970 12355.81  5730.99   0.0000   0.0000 12355.81  5730.99  ?   ?   151.738   43.970 0.000000 43.96952 
1 1 1  -68   18    5 o  152.102   44.994 12779.00  5946.38   0.0000   0.0000 12779.00  5946.38  ?   ?   152.102   44.994 0.000000 44.99398 
1 1 1  -68   18    6 o  207.271   49.019 24750.27  8120.37   0.0000   0.0000 24750.27  8120.37  ?   ?   207.271   49.019 0.000000 49.01944 
1 1 1  -68   18    7 o  158.780   12.473 10578.34  1595.17  4491.53  3460.59 12220.59  1797.52   96.638   34.680  170.454   13.087 -73.81652 37.06745 
1 1 1  -68   18    8 o  138.983   12.248  8131.48  1368.04  4396.29  2939.59  9164.11  1545.62   94.541   32.091  147.253   13.063 -52.71179 34.64742 
1 1 1  -68   18    9 o  245.399   16.805 26079.94  3328.36 22198.17  5723.30 28063.60  4091.34  205.956   35.506  251.139   20.235 -45.18312 40.86785 
1 1 1  -68   18   10 o  101.217   11.536  4347.65  931.135  4606.59  2369.53  4300.36  1012.59   95.439   28.442  100.197   12.734 -4.757195 31.16238 
1 1 1  -68   18   11 o   18.539   8.6619 -302.2079  322.868 -1207.7061  1705.34 -268.5435  328.815   42.460   19.861   19.168   8.8826 23.29225 21.75668 
1 1 1  -68   18   12 o  113.062   12.326  5506.17  1113.20  3982.20  2547.65  5865.80  1237.60   85.715   29.845  116.164   13.365 -30.44835 32.70118 
1 1 1  -68   18   13 o   52.947   15.268  1277.67  692.533  958.620  2106.43  1316.34  733.297   58.447   24.992   53.655   15.780 4.792225 29.55738 
1 1 1  -68   18   14 f   88.757   14.275  3563.84  993.878  1522.23  2565.83  3924.24  1078.04   63.075   27.283   92.878   14.791 -29.80315 31.03488 
1 1 1  -68   18   15 o  143.042   14.055  9296.97  1611.39  9452.70  3522.28  9255.76  1812.15  112.534   34.911  140.361   16.198 -27.82718 38.48570 
1 1 1  -68   18   16 o  107.590   14.610  5460.38  1243.32  4127.67  3394.80  5666.84  1336.16   70.514   30.927  108.617   15.598 -38.10278 34.63756 
1 1 1  -68   18   17 o   30.289   13.339   33.743  637.287 -2063.9729  2710.57  156.484  655.667   43.006   21.249   32.040   13.826 10.96621 25.35079 
1 1 1  -68   18   18 o   61.441   16.221  2071.72  821.135  1212.89  2973.74  2142.60  854.352   49.106   23.831   62.081   16.619 -12.97517 29.05330 
1 1 1  -68   18   19 o   33.855   14.197  465.927  657.787  983.166  3079.13  441.193  673.330   43.858   21.836   33.678   14.256 10.17999 26.07780 
1 1 1  -68   20    1 o  141.490   39.488 10354.86  4709.20   0.0000   0.0000 10354.86  4709.20  ?   ?   141.490   39.488 0.000000 39.48778 
1 1 1  -68   20    2 o  159.863   41.593 13524.89  5450.45   0.0000   0.0000 13524.89  5450.45  ?   ?   159.863   41.593 0.000000 41.59256 
1 1 1  -68   20    3 o   57.523   27.771 -4774.2402  3907.67   0.0000   0.0000 -4774.2402  3907.67  ?   ?    57.523   27.771 0.000000 27.77143 
1 1 1  -68   20    4 o  119.773   44.344  7838.45  5721.78   0.0000   0.0000  7838.45  5721.78  ?   ?   119.773   44.344 0.000000 44.34425 
1 1 1  -68   20    6 o  155.456   13.455 10221.46  1681.60   0.0000   0.0000 10221.46  1681.60  ?   ?   155.456   13.455 0.000000 13.45490 
1 1 1  -68   20    7 o  114.970   11.694  5572.85  1076.44  2489.60  3086.64  5999.77  1148.55   79.517   31.727  119.207   12.031 -39.68970 33.93116 
1 1 1  -68   20    8 o   42.673   12.565  781.276  464.670 -289.5730  1902.56  849.204  479.181   50.848   22.683   44.330   12.676 6.517490 25.98398 
1 1 1  -68   20    9 o   76.166   12.576  2508.53  750.581  1572.90  2665.46  2589.11  782.236   69.378   28.794   77.281   12.922 -7.902473 31.56065 
1 1 1  -68   20   10 f   75.055   12.995  2459.30  763.268  2094.74  2598.72  2493.72  798.486   71.593   28.919   75.376   13.544 -3.783318 31.93349 
1 1 1  -68   20   11 o  160.965   13.056 11187.23  1691.66  8448.50  4031.74 11772.41  1863.64  114.212   37.560  164.340   14.103 -50.12811 40.12041 
1 1 1  -68   20   12 o  156.940   10.055 10435.75  1274.61  6776.89  3849.76 10886.21  1350.79   99.366   36.445  160.036   10.453 -60.66990 37.91394 
1 1 1  -68   20   13 o   42.001   11.250  784.753  391.357 -3037.0249  2490.61  881.505  396.280   43.422   21.234   44.513   11.022 -1.090797 23.92432 
1 1 1  -68   20   14 o   59.174   10.350  1542.77  479.198 -35.6804  2722.48  1593.24  486.798   54.261   25.285   60.162   10.338 -5.901054 27.31689 
1 1 1  -68   20   15 o   34.130   12.343  470.898  439.328  2913.87  2823.39  410.281  444.745   65.794   28.540   32.957   12.331 32.83754 31.08983 
1 1 1  -68   20   16 o   25.667   12.052 -466.0033  638.426 -1228.8340  2637.62 -418.5307  657.991   45.113   22.016   26.495   12.374 18.61882 25.25529 
1 1 1  -68   20   17 o   69.886   16.866  2672.49  946.084  3877.43  3175.58  2555.12  991.090   58.754   27.355   67.006   17.883 -8.252266 32.68201 
1 1 1  -68   20   18 o   26.602   12.610 -430.3398  729.637 -941.0355  3056.26 -399.4738  751.363   41.297   20.736   27.197   12.864 14.09979 24.40192 
1 1 1  -68   22    1 o  166.106   39.296 14599.46  5217.10   0.0000   0.0000 14599.46  5217.10  ?   ?   166.106   39.296 0.000000 39.29604 
1 1 1  -68   22    6 o  189.599   14.885 15420.49  2273.11   0.0000   0.0000 15420.49  2273.11  ?   ?   189.599   14.885 0.000000 14.88509 
1 1 1  -68   22    7 o  101.966   12.067  4429.91  979.685  5694.67  3421.63  4316.96  1022.49  101.834   34.622  100.333   12.846 1.501160 36.92802 
1 1 1  -68   22    8 o   76.096   13.768  2539.80  819.357   0.0000   0.0000  2539.80  819.357  ?   ?    76.096   13.768 0.000000 13.76765 
1 1 1  -68   22    9 o   97.921   13.202  4165.97  1022.95  4637.92  3029.34  4105.23  1086.78   91.096   32.473   96.677   14.274 -5.581825 35.47184 
1 1 1  -68   22   10 o   77.083   14.961  2674.31  902.623  3457.74  3580.78  2621.15  932.743   80.784   33.438   75.972   15.642 4.811707 36.91551 
1 1 1  -68   22   11 o   33.804   17.040 -5827.7788  2173.83 -5827.7788  2173.83   0.0000   0.0000   33.804   17.040  ?   ?  0.000000 17.04030 
1 1 1  -68   22   12 o   30.598   10.439  376.462  311.067 -5007.8721  3312.43  424.369  312.448   46.002   22.862   31.914   10.454 14.08810 25.13847 
1 1 1  -68   22   13 o   19.903   8.9476 -120.5866  302.275 -445.5547  3139.35 -117.5456  303.686   54.971   26.086   20.001   8.9819 34.97002 27.58921 
1 1 1  -68   22   14 o   59.150   17.359  1782.04  888.199 -2087.6379  3595.34  2033.55  916.609   50.610   24.903   63.206   17.338 -12.59672 30.34433 
1 1 1  -68   22   15 o   41.795   16.550  743.024  834.079  5535.58  3741.04  492.332  855.615   69.884   31.442   38.893   16.242 30.99089 35.38904 
1 1 1  -68   22   16 o   37.002   15.736  448.147  826.883  1088.43  3910.36  418.176  846.014   51.112   25.303   36.876   15.805 14.23661 29.83360 
1 1 1  -68   22   17 o   28.676   13.434 -287.7726  785.299 -750.2069  3896.75 -268.1967  801.749   43.789   22.162   29.078   13.606 14.71175 26.00527 
1 1 1  -68   24    3 o   87.924   39.104  2266.26  5609.64   0.0000   0.0000  2266.26  5609.64  ?   ?    87.924   39.104 0.000000 39.10381 
1 1 1  -68   24    4 o  147.220   52.383 16854.52  7879.32   0.0000   0.0000 16854.52  7879.32  ?   ?   147.220   52.383 0.000000 52.38309 
1 1 1  -68   24    5 o  109.855   12.131  5141.73  1063.98   0.0000   0.0000  5141.73  1063.98  ?   ?   109.855   12.131 0.000000 12.13052 
1 1 1  -68   24    6 f  149.870   14.620  9743.65  1756.40   0.0000   0.0000  9743.65  1756.40  ?   ?   149.870   14.620 0.000000 14.61960 
1 1 1  -68   24    7 o   91.492   14.131  3675.58  1015.93  168.296  4629.54  3853.03  1041.31   72.330   33.452   93.719   14.122 -21.38853 36.31102 
1 1 1  -68   24    8 o   55.122   15.417  1376.67  716.991   0.0000   0.0000  1376.67  716.991  ?   ?    55.122   15.417 0.000000 15.41659 
1 1 1  -68   24    9 o   46.338   15.779  920.014  710.768 -3376.9480  3847.48  1071.84  723.216   55.221   26.869   49.128   15.894 6.093201 31.21799 
1 1 1  -68   24   10 o   36.318   14.611  353.783  660.451 -2235.3640  3269.98  463.895  674.349   52.878   25.497   38.159   14.953 14.71841 29.55845 
1 1 1  -68   24   11 f   56.312   17.395  1523.76  875.517  2841.33  3772.39  1448.75  900.093   71.366   31.880   55.032   17.723 16.33468 36.47535 
1 1 1  -68   24   12 f   77.367   17.084  2934.38  1044.56  3508.58  4283.29  2898.07  1077.07   70.515   32.457   76.378   17.712 -5.862434 36.97503 
1 1 1  -68   24   13 o   40.225   16.029  603.128  786.874 -112.2169  4185.47  629.338  801.159   56.483   27.601   40.725   16.191 15.75706 31.99912 
1 1 1  -68   24   14 o   64.572   18.980  2338.49  1061.07  5592.52  4706.36  2164.23  1089.11   65.415   31.292   61.556   19.461 3.859074 36.85044 
1 1 1  -68   24   15 o   66.409   20.761  2822.93  1242.92  4436.71  5091.00  2720.65  1281.71   56.197   27.996   64.358   21.178 -8.160725 35.10353 
1 1 1  -68   26    1 f  102.797   42.626  6604.47  5834.04   0.0000   0.0000  6604.47  5834.04  ?   ?   102.797   42.626 0.000000 42.62590 
1 1 1  -68   26    2 o   66.113   30.828 -1101.1429  4057.45   0.0000   0.0000 -1101.1429  4057.45  ?   ?    66.113   30.828 0.000000 30.82829 
1 1 1  -68   26    3 o  101.023   41.728  6588.73  5559.85   0.0000   0.0000  6588.73  5559.85  ?   ?   101.023   41.728 0.000000 41.72845 
1 1 1  -68   26    4 o  111.249   45.873  9850.90  6703.33   0.0000   0.0000  9850.90  6703.33  ?   ?   111.249   45.873 0.000000 45.87272 
1 1 1  -68   26    5 o  129.029   14.266  7278.35  1469.55   0.0000   0.0000  7278.35  1469.55  ?   ?   129.029   14.266 0.000000 14.26550 
1 1 1  -68   26    6 o   34.495   13.094  392.183  505.570   0.0000   0.0000  392.183  505.570  ?   ?    34.495   13.094 0.000000 13.09433 
1 1 1  -68   26    7 o   50.058   15.496  1127.70  694.424  5597.72  5582.85  1057.46  699.859   88.747   39.261   48.751   15.621 39.99606 42.25480 
1 1 1  -68   26    8 o  102.422   15.785  4793.81  1270.54  7430.50  5946.97  4667.70  1300.56   91.423   40.480  100.540   16.504 -9.117218 43.71492 
1 1 1  -68   26    9 o   46.190   16.646  913.046  798.067  1900.46  5274.63  889.912  807.362   71.251   33.812   45.902   16.712 25.34945 37.71698 
1 1 1  -68   26   10 o   52.415   25.687 -2570.3320  3703.37 -384.5895  3943.63 -18887.0195 10774.88   58.991   28.331   59.770   30.723 -0.7784195 41.79172 
1 1 1  -68   26   11 o   58.267   18.913  1760.72  1023.50 -1427.4340  5582.81  1871.60  1041.14   59.179   29.454   59.882   19.038 -0.7023926 35.07129 
1 1 1  -68   26   12 o   69.515   19.953  2692.58  1185.22  5334.57  4871.88  2526.38  1221.93   67.973   32.326   66.633   20.544 1.340103 38.30213 
1 1 1  -68   26   13 f   32.003   14.865 -334.4517  928.968  6730.91  5852.12 -517.0905  940.898   62.919   31.113   30.959   14.567 31.96076 34.35427 
1 1 1  -68   26   14 o   79.017   20.948  3963.90  1365.82 -1936.8800  6290.47  4255.84  1399.20   48.596   24.902   82.216   20.911 -33.62022 32.51704 
1 1 1  -68   28    1 o   68.174   31.179  513.020  3867.20   0.0000   0.0000  513.020  3867.20  ?   ?    68.174   31.179 0.000000 31.17945 
1 1 1  -68   28    2 o   85.455   37.236  4232.85  4850.74   0.0000   0.0000  4232.85  4850.74  ?   ?    85.455   37.236 0.000000 37.23648 
1 1 1  -68   28    3 o   96.363   42.528  7766.69  6512.19   0.0000   0.0000  7766.69  6512.19  ?   ?    96.363   42.528 0.000000 42.52849 
1 1 1  -68   28    4 f  128.621   53.205 21877.29  9057.56   0.0000   0.0000 21877.29  9057.56  ?   ?   128.621   53.205 0.000000 53.20487 
1 1 1  -68   28    5 f   49.798   15.658  1124.31  705.907   0.0000   0.0000  1124.31  705.907  ?   ?    49.798   15.658 0.000000 15.65838 
1 1 1  -68   28    6 o  104.892   17.250  5164.99  1418.06   0.0000   0.0000  5164.99  1418.06  ?   ?   104.892   17.250 0.000000 17.24977 
1 1 1  -68   28    7 o   89.291   18.835  3918.36  1322.62   0.0000   0.0000  3918.36  1322.62  ?   ?    89.291   18.835 0.000000 18.83512 
1 1 1  -68   28    8 o   95.183   18.674  4500.50  1391.70  9493.91  8149.45  4350.50  1412.45   80.927   39.314   92.906   19.352 -11.97958 43.81870 
1 1 1  -68   28    9 o   71.532   19.557  2699.46  1168.48 16205.05  7594.32  2371.99  1182.56   90.489   42.188   66.491   20.156 23.99817 46.75594 
1 1 1  -68   28   10 o   65.210   21.038  2428.15  1267.77  4568.19  7801.83  2370.11  1284.85   65.215   32.798   64.277   21.207 0.9384079 39.05649 
1 1 1  -68   28   11 o   60.694   20.815  2200.91  1236.94  5561.84  6971.00  2091.65  1256.88   62.014   31.163   59.123   20.934 2.890617 37.54105 
1 1 1  -68   28   12 o   40.999   17.336  674.747  994.055  3487.92  7257.10  620.955  1003.51   55.148   28.135   40.523   17.287 14.62481 33.02172 
1 1 1  -68   30    1 o   65.807   31.895 -740.2798  5281.31   0.0000   0.0000 -740.2798  5281.31  ?   ?    65.807   31.895 0.000000 31.89458 
1 1 1  -68   30    2 o   63.198   30.465 -719.4827  4660.36   0.0000   0.0000 -719.4827  4660.36  ?   ?    63.198   30.465 0.000000 30.46487 
1 1 1  -68   30    3 o   82.418   39.419  7205.80  7461.44   0.0000   0.0000  7205.80  7461.44  ?   ?    82.418   39.419 0.000000 39.41947 
1 1 1  -68   30    4 o   36.256   14.937  318.623  709.894   0.0000   0.0000  318.623  709.894  ?   ?    36.256   14.937 0.000000 14.93652 
1 1 1  -68   30    5 o   55.032   18.413  1490.13  967.614   0.0000   0.0000  1490.13  967.614  ?   ?    55.032   18.413 0.000000 18.41268 
1 1 1  -68   30    6 o   71.292   19.888  2683.95  1194.82   0.0000   0.0000  2683.95  1194.82  ?   ?    71.292   19.888 0.000000 19.88802 
1 1 1  -68   30    7 o  107.159   20.802  6148.38  1744.71   0.0000   0.0000  6148.38  1744.71  ?   ?   107.159   20.802 0.000000 20.80212 
1 1 1  -68   30    8 o   21.827   10.756 -1251.9351  678.926   0.0000   0.0000 -1251.9351  678.926  ?   ?    21.827   10.756 0.000000 10.75599 
1 1 1  -68   30    9 o   60.609   31.393  9912.91 15329.00   0.0000   0.0000  9912.91 15329.00  ?   ?    60.609   31.393 0.000000 31.39298 
1 1 1  -68   32    1 o   52.496   26.686 -8473.2109  6089.60   0.0000   0.0000 -8473.2109  6089.60  ?   ?    52.496   26.686 0.000000 26.68595 
1 1 1  -68   32    2 o   50.841   25.823 -8082.7031  5619.67   0.0000   0.0000 -8082.7031  5619.67  ?   ?    50.841   25.823 0.000000 25.82336 
1 1 1  -68   32    3 o   73.684   36.916 12102.06  9426.50   0.0000   0.0000 12102.06  9426.50  ?   ?    73.684   36.916 0.000000 36.91571 
1 1 1  -68   32    4 o   56.113   28.328 -2847.1240  6134.71   0.0000   0.0000 -2847.1240  6134.71  ?   ?    56.113   28.328 0.000000 28.32788 
1 1 1  -67    1    1 o  129.378   15.316  6946.23  1577.72  7382.46  2193.86  6478.96  2270.59  132.220   21.148  123.148   23.566 9.072212 31.66367 
1 1 1  -67    1    2 o  383.759   22.458 61105.21  6967.51 59669.86  9841.79 62547.44  9865.34  374.764   32.670  384.134   31.918 -9.370331 45.67374 
1 1 1  -67    1    3 o  348.341   18.058 50014.47  5090.14 51677.86  6037.32 45925.39  9465.87  353.124   21.154  326.379   36.336 26.74496 42.04485 
1 1 1  -67    1    4 o  383.332   20.204 60816.43  6266.23 53308.40 11630.76 63887.05  7438.03  348.010   42.010  391.616   23.500 -43.60657 48.13639 
1 1 1  -67    1    5 o  170.180   9.8907 11847.91  1360.80 11385.88  1951.70 12285.02  1898.35  166.060   14.624  172.719   13.647 -6.659363 20.00270 
1 1 1  -67    1    6 o  250.530   13.336 25771.12  2703.00 25629.59  3863.38 25906.83  3783.12  248.322   19.313  249.823   18.788 -1.500702 26.94356 
1 1 1  -67    1    7 o  178.326   10.645 13034.51  1534.25 12320.44  2201.66 13708.64  2139.20  172.329   15.914  182.152   14.586 -9.822205 21.58738 
1 1 1  -67    1    8 o  168.392   10.502 11634.34  1428.81 10697.80  2039.99 12536.18  2001.84  160.338   15.878  174.067   14.290 -13.72841 21.36148 
1 1 1  -67    1    9 o   47.959   12.501  979.198  491.786  578.296  769.638  1255.84  639.330   43.159   16.207   54.243   14.309 -11.08414 21.61996 
1 1 1  -67    1   10 o  304.639   16.223 38673.48  3998.41 40917.41  5685.39 36477.50  5624.33  309.578   22.778  291.446   23.980 18.13229 33.07357 
1 1 1  -67    1   11 o   38.253   13.929  501.746  560.847   18.700  789.242  994.501  797.133   35.971   15.338   49.964   16.712 -13.99342 22.68344 
1 1 1  -67    1   12 o   64.821   13.477  1811.51  686.205  3246.46  972.685  389.729  968.211   87.130   14.241   43.524   17.627 43.60559 22.66077 
1 1 1  -67    1   13 o  149.184   11.380  9294.13  1368.07 10558.44  1972.44  8122.05  1899.13  157.184   15.663  136.829   17.494 20.35504 23.48167 
1 1 1  -67    1   14 o   59.718   15.465  1578.41  755.842  328.975  1125.24  2605.66  1020.29   44.862   18.671   76.450   16.887 -31.58822 25.17502 
1 1 1  -67    1   15 o  ?   ?  -1970.7250  499.842  303.497  928.108 -2899.8459  593.223   41.100   17.019  ?   ?  0.000000 17.01874 
1 1 1  -67    1   16 o   23.996   11.588 -1005.2770  681.753  668.853  968.346 -2650.6560  959.995   45.668   17.912   23.270   11.675 22.39833 21.38132 
1 1 1  -67    1   17 o   80.418   14.875  2921.55  935.545  1691.57  1399.74  3914.63  1257.74   60.672   22.017   91.740   17.524 -31.06861 28.13987 
1 1 1  -67    1   18 o  132.980   12.904  7817.24  1375.74  7598.25  1941.57  8038.06  1949.64  124.623   19.854  128.887   19.217 -4.264137 27.63072 
1 1 1  -67    1   19 o   49.460   17.653  1147.71  895.480  1320.97  1387.28  1023.96  1172.45   53.563   21.302   49.283   19.588 4.279949 28.93902 
1 1 1  -67    1   20 o   35.121   15.714   1.5262  920.451  1040.69  1573.10 -539.4614  1135.03   49.674   21.425   34.434   16.137 15.24005 26.82234 
1 1 1  -67    1   21 o   49.729   18.474  1425.20  994.761 -902.3683  1500.57  3250.05  1328.67   35.614   17.198   71.071   21.325 -35.45717 27.39535 
1 1 1  -67    1   22 o   53.909   11.728  1453.82  498.766  4463.03  1965.09  1246.61  515.652   64.583   25.457   48.830   12.836 15.75231 28.51032 
1 1 1  -67    3    1 o  445.658   18.180 81612.51  6578.50 75750.58  7865.96 95253.98 11999.46  427.336   22.752  474.989   31.288 -47.65311 38.68557 
1 1 1  -67    3    2 o  151.781   12.417  9469.21  1516.91 10642.45  1695.80  4771.98  3393.15  160.863   13.097  106.918   34.409 53.94447 36.81752 
1 1 1  -67    3    3 o  309.471   16.278 39395.01  4075.94 41045.37  4804.67 35158.29  7698.17  315.211   18.859  286.180   33.780 29.03165 38.68824 
1 1 1  -67    3    4 o  536.573   23.145 119513.50 10083.77 119950.70 12140.33 118541.00 18107.98  534.123   28.092  518.878   43.378 15.24518 51.67972 
1 1 1  -67    3    5 o  301.979   15.615 37526.02  3815.77 36739.27  5482.90 38264.96  5313.70  296.493   22.954  303.062   21.738 -6.568115 31.61363 
1 1 1  -67    3    6 f  193.515   15.170 15467.07  2364.54   0.0000   0.0000 15467.07  2364.54  ?   ?   193.515   15.170 0.000000 15.17001 
1 1 1  -67    3    7 o  123.275   8.8929  6228.40  884.160  8401.89  1381.84  4721.75  1150.49  142.793   12.030  106.460   13.622 36.33309 18.17366 
1 1 1  -67    3    8 o  304.510   15.954 38354.04  3930.82 38555.53  5646.49 38164.55  5475.50  302.248   23.185  301.002   22.568 1.246277 32.35474 
1 1 1  -67    3    9 o  186.355   11.324 14286.51  1705.28 14302.33  2525.36 14273.26  2312.01  184.952   17.007  185.209   15.517 -0.2572784 23.02185 
1 1 1  -67    3   10 o  148.028   10.599  9034.06  1265.53  8565.54  1909.55  9401.02  1689.95  142.466   16.833  150.178   14.021 -7.711960 21.90733 
1 1 1  -67    3   11 o  155.572   10.779 10006.22  1353.21 10014.53  2034.79  9999.62  1811.99  153.788   16.556  154.363   14.632 -0.5748138 22.09496 
1 1 1  -67    3   12 f  191.248   12.051 15224.44  1861.85 16119.67  2733.82 14450.02  2542.67  194.210   17.525  183.963   17.223 10.24759 24.57157 
1 1 1  -67    3   13 o  238.722   14.281 24073.60  2755.43 21388.72  3953.91 26608.66  3842.02  218.720   22.589  247.137   19.299 -28.41685 29.71081 
1 1 1  -67    3   14 o   66.499   14.965  1951.76  788.519  585.824  1165.21  3105.75  1071.01   48.091   19.386   83.797   16.328 -35.70535 25.34572 
1 1 1  -67    3   15 o   76.651   14.201  2581.77  851.282  1314.29  1280.11  3586.70  1139.85   57.166   21.008   89.754   16.238 -32.58872 26.55232 
1 1 1  -67    3   16 o   69.248   15.613  2172.18  856.890  2458.45  1274.55  1936.06  1157.53   71.742   20.720   64.352   20.021 7.390320 28.81285 
1 1 1  -67    3   17 f   45.618   15.833  880.390  716.666  899.945  1118.35  866.764  933.536   49.475   19.293   47.298   17.832 2.176350 26.27140 
1 1 1  -67    3   18 o   73.788   9.1037  2331.49  533.869 -782.7354  1571.24  2737.94  567.640   41.007   19.143   80.135   8.8729 -39.12751 21.09892 
1 1 1  -67    3   19 o   89.205   8.8597  3418.60  633.231  3166.46  1805.98  3453.95  676.158   72.388   25.133   89.328   9.4665 -16.94016 26.85643 
1 1 1  -67    3   20 o   40.969   11.569  781.011  401.753 -841.8637  1655.36  882.585  414.135   39.178   18.691   43.500   11.537 -4.321152 21.96445 
1 1 1  -67    3   21 o   71.381   10.123  2332.65  570.302  3808.06  1967.11  2197.26  595.895   66.668   25.701   68.505   11.092 -1.836403 27.99232 
1 1 1  -67    3   22 o   27.615   11.682  203.285  451.674 -895.0276  1917.01  267.840  464.759   36.210   17.887   28.828   11.999 7.381725 21.53855 
1 1 1  -67    5    1 o  222.173   12.128 20211.77  2179.62 18743.72  2495.40 24936.02  4476.47  213.532   14.478  244.402   22.822 -30.87003 27.02679 
1 1 1  -67    5    2 o  277.987   16.144 31799.68  3628.27 32858.73  4262.66 29014.63  6912.57  281.949   18.726  259.759   33.559 22.19012 38.42992 
1 1 1  -67    5    3 o  261.168   13.784 27984.94  2912.75 27018.54  3386.67 30731.30  5709.18  256.054   16.375  270.103   26.368 -14.04898 31.03911 
1 1 1  -67    5    4 o  170.959   11.542 11988.38  1592.84 10801.21  1728.34 18681.63  4103.84  161.958   13.259  210.465   24.471 -48.50661 27.83239 
1 1 1  -67    5    5 o   95.576   13.221  3808.30  998.502  3808.30  998.502   0.0000   0.0000   95.576   13.221  ?   ?  0.000000 13.22060 
1 1 1  -67    5    6 o  331.321   17.139 45361.88  4594.88 44750.98  6643.87 45921.97  6361.59  325.736   25.319  330.682   23.853 -4.946136 34.78507 
1 1 1  -67    5    7 o   45.918   11.623  896.070  433.725   0.0000   0.0000  896.070  433.725  ?   ?    45.918   11.623 0.000000 11.62253 
1 1 1  -67    5    8 o   97.950   9.0625  3949.66  712.591  3296.17  1234.25  4276.41  872.741   87.632   17.950  101.685   10.733 -14.05224 20.91363 
1 1 1  -67    5    9 o  136.336   10.135  7650.09  1113.92  5910.05  1763.30  8805.63  1436.95  117.539   19.134  145.893   12.243 -28.35322 22.71601 
1 1 1  -67    5   10 o   93.510   9.9930  3625.24  746.994  3745.97  1258.43  3559.55  928.214   93.304   17.246   92.051   12.762 1.252625 21.45452 
1 1 1  -67    5   11 o  217.906   13.071 19757.85  2301.95 17308.20  3382.71 21870.66  3141.55  199.993   21.152  227.355   17.144 -27.36185 27.22728 
1 1 1  -67    5   12 o   79.374   10.861  2650.32  681.624  1369.52  1219.07  3232.86  822.149   58.753   20.635   87.531   11.874 -28.77864 23.80736 
1 1 1  -67    5   13 o   59.206   12.880  1521.25  601.554  1748.01  1097.62  1423.90  719.181   63.057   19.476   56.974   15.246 6.083218 24.73400 
1 1 1  -67    5   14 o  141.040   11.534  8372.61  1309.27  8432.36  1988.81  8326.91  1739.34  138.060   18.184  138.592   15.735 -0.5315552 24.04681 
1 1 1  -67    5   15 o  214.920   10.900 19416.44  1895.94 17967.82  3592.79 19975.54  2232.03  195.655   23.058  216.653   12.744 -20.99799 26.34561 
1 1 1  -67    5   16 o  148.422   9.0070  9218.89  1080.34  8169.69  2179.67  9560.57  1243.87  131.354   21.155  150.507   10.239 -19.15332 23.50278 
1 1 1  -67    5   17 o  102.647   8.6313  4437.44  712.701  4620.10  1755.92  4401.41  779.826   95.274   22.967  101.824   9.5435 -6.549377 24.87078 
1 1 1  -67    5   18 o   37.910   10.385  636.127  329.123  2390.08  1453.59  541.349  337.898   67.303   22.567   35.272   10.792 32.03120 25.01495 
1 1 1  -67    5   19 o   64.526   8.9165  1806.10  454.679 -819.5876  1666.32  2017.32  472.614   40.708   19.225   68.341   8.7154 -27.63339 21.10787 
1 1 1  -67    5   20 o   47.698   11.683  1067.45  448.891  1256.40  1735.92  1053.92  464.697   51.250   22.305   47.209   12.075 4.040951 25.36331 
1 1 1  -67    5   21 o   89.263   10.396  3669.46  739.365  3224.13  2140.90  3729.77  787.838   59.356   25.284   89.280   11.108 -29.92365 27.61634 
1 1 1  -67    5   22 o   21.793   9.6383  -4.6876  336.193 -1645.0439  1951.82   45.467  341.294   34.083   17.034   22.705   9.8857 11.37868 19.69501 
1 1 1  -67    7    3 o  125.946   10.684  6518.30  1082.30  5379.69  1146.79 15796.07  3273.55  114.032   12.596  194.269   21.092 -80.23658 24.56655 
1 1 1  -67    7    4 o  252.943   14.561 26319.10  2977.83 26599.84  3417.10 25432.92  6071.20  253.781   16.676  242.923   31.523 10.85739 35.66209 
1 1 1  -67    7    5 o   68.704   13.660  2001.44  735.201  2001.44  735.201   0.0000   0.0000   68.704   13.660  ?   ?  0.000000 13.66004 
1 1 1  -67    7    6 o   29.403   12.101  108.283  465.400  108.283  465.400   0.0000   0.0000   29.403   12.101  ?   ?  0.000000 12.10133 
1 1 1  -67    7    7 o  322.977   16.038 43048.93  4205.96 47273.63  6130.94 39293.09  5780.74  335.065   22.668  304.922   23.530 30.14334 32.67319 
1 1 1  -67    7    8 o  472.828   24.235 94982.95  9273.02 94946.59 13287.31 95017.46 12947.36  460.931   35.783  462.300   34.746 -1.369659 49.87727 
1 1 1  -67    7    9 o  116.231   9.4363  5564.61  882.870  5051.87  1496.33  5838.44  1093.49  108.782   17.537  118.675   11.492 -9.893234 20.96694 
1 1 1  -67    7   10 o  204.715   12.501 17372.71  2067.98 15376.03  3121.53 18934.48  2760.72  189.183   20.657  212.326   16.134 -23.14258 26.21086 
1 1 1  -67    7   11 o  372.044   19.819 59378.77  5965.48 59680.59  8597.89 59098.60  8283.81  361.463   29.553  361.099   28.484 0.3635254 41.04573 
1 1 1  -67    7   12 o  167.473   11.109 11671.13  1502.07 12714.48  2318.54 10916.48  1971.84  172.221   16.794  160.183   15.349 12.03862 22.75110 
1 1 1  -67    7   13 o   95.852   7.5198  3795.06  580.561  3764.01  1421.71  3801.27  636.006   91.249   19.761   95.764   8.2602 -4.514359 21.41766 
1 1 1  -67    7   14 o   72.535   8.2009  2197.07  474.515  3055.23  1290.77  2062.97  510.244   81.506   19.718   70.005   9.1993 11.50047 21.75857 
1 1 1  -67    7   15 o  154.822   9.1640 10003.11  1146.89  7056.27  2345.41 10929.17  1314.80  119.981   24.891  161.398   10.083 -41.41721 26.85580 
1 1 1  -67    7   16 o  111.413   8.2153  5186.00  737.946  5865.34  1920.99  5068.39  799.273  109.631   22.338  109.809   9.0448 -0.1784363 24.10004 
1 1 1  -67    7   17 o   79.899   8.4279  2698.59  538.516  2602.13  1580.82  2711.25  572.776   70.929   23.528   79.876   8.9875 -8.947105 25.18654 
1 1 1  -67    7   18 o   51.831   9.5680  1176.03  387.841 -954.2678  1524.95  1323.35  401.028   39.157   18.461   55.163   9.2830 -16.00674 20.66357 
1 1 1  -67    7   19 o   54.997   10.526  1357.36  452.941  1927.40  1698.13  1313.69  469.967   59.016   23.537   53.804   11.125 5.212738 26.03385 
1 1 1  -67    7   20 o   25.883   10.481  174.864  342.238   82.295  1744.15  178.571  349.023   43.579   20.284   26.117   10.581 17.46203 22.87814 
1 1 1  -67    7   21 o   53.692   11.872  1410.09  503.810  1256.75  2027.07  1420.19  520.131   47.105   21.906   53.616   12.220 -6.511440 25.08390 
1 1 1  -67    7   22 f   15.078   7.4975 -768.9359  358.422  920.739  2031.34 -823.2313  364.135   41.065   19.873   14.941   7.4501 26.12384 21.22360 
1 1 1  -67    9    1 o   62.228   25.392  664.902  2027.11   0.0000   0.0000  664.902  2027.11  ?   ?    62.228   25.392 0.000000 25.39151 
1 1 1  -67    9    2 o  140.913   30.317  8703.56  3365.94   0.0000   0.0000  8703.56  3365.94  ?   ?   140.913   30.317 0.000000 30.31729 
1 1 1  -67    9    3 o  244.957   30.598 25821.11  5953.14   0.0000   0.0000 25821.11  5953.14  ?   ?   244.957   30.598 0.000000 30.59814 
1 1 1  -67    9    4 o  112.240   13.143  5229.63  1175.11  5043.27  1259.04  6489.36  3273.41  109.938   14.455  120.971   32.592 -11.03358 35.65403 
1 1 1  -67    9    5 o  291.154   15.872 35013.21  3738.01 25110.78  4476.10 57835.04  6795.23  244.088   22.851  371.364   22.644 -127.2757 32.16966 
1 1 1  -67    9    6 o   19.104   8.8765 -298.0422  331.652 -298.0422  331.652   0.0000   0.0000   19.104   8.8765  ?   ?  0.000000 8.876514 
1 1 1  -67    9    7 o  123.122   14.599  6333.95  1431.03  6333.95  1431.03   0.0000   0.0000  123.122   14.599  ?   ?  0.000000 14.59883 
1 1 1  -67    9    8 o  286.984   21.364 34932.91  4942.50   0.0000   0.0000 34932.91  4942.50  ?   ?   286.984   21.364 0.000000 21.36352 
1 1 1  -67    9    9 o  177.510   11.269 13013.01  1615.87 11567.78  2531.99 14006.05  2098.84  164.618   19.310  183.289   14.214 -18.67064 23.97702 
1 1 1  -67    9   10 o  117.906   9.8571  5751.92  935.022  3014.64  1632.89  7087.31  1140.52   82.146   23.368  130.722   10.843 -48.57581 25.76120 
1 1 1  -67    9   11 o   65.336   10.603  1805.73  543.227  2071.16  1191.16  1736.03  610.398   68.525   20.100   63.649   12.256 4.875645 23.54195 
1 1 1  -67    9   12 f   51.908   8.2213  1133.60  334.961  1932.66  1205.06  1066.69  348.702   66.135   20.404   50.181   8.8832 15.95427 22.25388 
1 1 1  -67    9   13 o  144.738   8.4613  8666.09  990.060  6924.93  2084.88  9173.06  1125.00  123.151   21.640  148.617   9.3708 -25.46622 23.58157 
1 1 1  -67    9   14 o   50.435   9.5949  1090.35  378.568  3831.34  1254.99  815.967  397.064   92.365   17.371   43.322   11.204 49.04305 20.67118 
1 1 1  -67    9   15 o   99.593   8.2772  4139.82  663.285  2113.39  1668.15  4520.37  722.886   67.591   24.097  103.974   8.6409 -36.38371 25.59939 
1 1 1  -67    9   16 o  105.486   8.4110  4665.89  714.417  3169.47  1824.97  4936.72  776.378   78.027   25.248  108.316   8.9065 -30.28887 26.77276 
1 1 1  -67    9   17 o  160.434   9.5981 10933.93  1244.57 10176.28  2675.11 11143.22  1406.00  139.296   24.549  161.014   10.817 -21.71782 26.82634 
1 1 1  -67    9   18 o  116.283   9.3339  5800.95  873.860  4648.56  2165.79  6025.04  955.052   86.263   27.462  118.014   10.063 -31.75159 29.24767 
1 1 1  -67    9   19 o   76.334   9.5014  2556.53  576.159  381.357  1921.24  2771.49  603.957   48.136   22.000   79.485   9.5490 -31.34967 23.98320 
1 1 1  -67    9   20 o   82.864   10.248  3110.59  674.801  4433.06  2170.93  2969.15  709.971   72.263   27.203   80.147   11.217 -7.884354 29.42522 
1 1 1  -67    9   21 o   44.132   12.657  997.197  477.070 -872.1880  2130.43  1095.89  489.501   38.652   19.048   46.282   12.660 -7.629871 22.87163 
1 1 1  -67   11    1 o  284.446   29.582 34716.96  6732.31   0.0000   0.0000 34716.96  6732.31  ?   ?   284.446   29.582 0.000000 29.58194 
1 1 1  -67   11    2 o  365.980   34.123 58282.21 10023.21   0.0000   0.0000 58282.21 10023.21  ?   ?   365.980   34.123 0.000000 34.12307 
1 1 1  -67   11    3 o  224.874   30.915 21996.54  5495.44   0.0000   0.0000 21996.54  5495.44  ?   ?   224.874   30.915 0.000000 30.91477 
1 1 1  -67   11    4 o  376.834   36.473 62848.68 11020.26   0.0000   0.0000 62848.68 11020.26  ?   ?   376.834   36.473 0.000000 36.47300 
1 1 1  -67   11    5 o  149.076   15.665  9268.98  1867.79  6505.70  2049.21 22835.17  4540.49  123.100   21.271  231.313   24.550 -108.2129 32.48328 
1 1 1  -67   11    6 o   33.649   13.085  291.563  513.369  291.563  513.369   0.0000   0.0000   33.649   13.085  ?   ?  0.000000 13.08514 
1 1 1  -67   11    7 o   81.831   16.414  2876.92  1052.70  2876.92  1052.70   0.0000   0.0000   81.831   16.414  ?   ?  0.000000 16.41450 
1 1 1  -67   11    9 o  201.772   11.730 16862.04  1913.50 18075.38  3008.18 16037.46  2479.88  206.160   18.156  195.203   15.781 10.95642 24.05571 
1 1 1  -67   11   10 o  212.041   9.9282 18516.79  1709.33 17207.52  3355.43 18975.65  1986.41  198.593   21.133  213.851   11.482 -15.25842 24.05106 
1 1 1  -67   11   11 o  142.591   8.1627  8375.75  941.145  5538.44  2086.77  9100.24  1054.48  109.674   24.092  148.482   8.7854 -38.80754 25.64364 
1 1 1  -67   11   12 o  203.972   10.047 17236.84  1664.02 14145.06  3307.86 18284.32  1925.38  175.808   23.783  209.204   11.377 -33.39597 26.36417 
1 1 1  -67   11   13 o   36.306   9.8898  565.584  299.453   30.965  1131.77  605.829  310.520   41.951   18.133   37.525   10.008 4.425678 20.71145 
1 1 1  -67   11   14 o   12.633   6.2743 -601.6440  248.082 -899.6197  1107.99 -585.9174  254.544   34.249   16.016   13.026   6.4496 21.22305 17.26623 
1 1 1  -67   11   15 o   28.626   10.826  260.599  344.747  1081.64  1298.51  198.338  357.579   53.742   20.835   27.606   10.866 26.13664 23.49874 
1 1 1  -67   11   16 o  103.803   8.7630  4542.75  731.688  2707.58  1897.62  4863.23  793.008   72.031   25.699  107.228   9.1972 -35.19713 27.29494 
1 1 1  -67   11   17 f  169.186   10.082 12262.02  1378.74 11281.95  2957.08 12534.26  1558.51  142.600   26.515  169.872   11.365 -27.27171 28.84790 
1 1 1  -67   11   18 o   64.001   11.109  1834.27  556.358  1139.00  2100.74  1886.71  576.960   55.099   24.243   64.784   11.384 -9.684669 26.78283 
1 1 1  -67   11   19 o   34.656   12.127  520.645  420.866  181.144  1919.96  537.782  431.358   46.120   21.405   35.126   12.278 10.99424 24.67637 
1 1 1  -67   11   20 o   48.952   14.619  1250.63  625.522  2911.13  2191.86  1103.41  652.664   57.897   25.130   45.847   15.114 12.04971 29.32489 
1 1 1  -67   11   21 o   33.264   13.400  479.290  556.341  2026.36  2335.65  386.235  572.828   47.076   22.387   32.037   13.327 15.03901 26.05290 
1 1 1  -67   13    1 o  247.129   29.654 26568.53  5831.65   0.0000   0.0000 26568.53  5831.65  ?   ?   247.129   29.654 0.000000 29.65448 
1 1 1  -67   13    2 o  195.989   30.872 16937.05  4750.36   0.0000   0.0000 16937.05  4750.36  ?   ?   195.989   30.872 0.000000 30.87230 
1 1 1  -67   13    3 o  222.167   32.616 21921.89  5708.57   0.0000   0.0000 21921.89  5708.57  ?   ?   222.167   32.616 0.000000 32.61649 
1 1 1  -67   13    4 o  333.133   35.658 49886.84  9495.51   0.0000   0.0000 49886.84  9495.51  ?   ?   333.133   35.658 0.000000 35.65829 
1 1 1  -67   13    5 o  268.052   36.394 32832.63  7716.30   0.0000   0.0000 32832.63  7716.30  ?   ?   268.052   36.394 0.000000 36.39394 
1 1 1  -67   13    6 o  282.459   18.691 33600.10  4262.48 22765.74  5101.19 58665.27  7758.99  226.955   28.296  367.567   26.168 -140.6122 38.54176 
1 1 1  -67   13    7 f  253.024   23.378 27720.81  4748.62 27720.81  4748.62   0.0000   0.0000  253.024   23.378  ?   ?  0.000000 23.37792 
1 1 1  -67   13    8 o   51.123   19.083  878.852  1063.86  878.852  1063.86   0.0000   0.0000   51.123   19.083  ?   ?  0.000000 19.08274 
1 1 1  -67   13    9 o  192.126   12.212 15366.92  1895.21 14831.08  3146.40 15672.03  2374.24  184.107   21.450  192.691   15.301 -8.583893 26.34785 
1 1 1  -67   13   10 o  167.959   9.0318 11641.41  1227.21  7801.73  2746.42 12599.32  1371.77  129.112   27.063  174.531   9.7184 -45.41920 28.75509 
1 1 1  -67   13   11 o  238.779   11.467 23738.87  2223.24 19365.43  4397.46 25240.58  2576.82  203.105   27.361  245.040   12.998 -41.93513 30.29152 
1 1 1  -67   13   12 o   78.260   7.6077  2541.93  477.317  2250.82  1636.06  2569.01  499.027   70.723   23.941   78.607   7.9267 -7.884789 25.21903 
1 1 1  -67   13   13 o   96.333   8.0603  3858.25  624.677  3634.31  1753.67  3890.80  668.529   86.544   24.077   96.582   8.6153 -10.03825 25.57205 
1 1 1  -67   13   14 o   99.786   8.0979  4151.63  650.455  4385.13  1882.56  4119.97  693.143   93.687   24.478   99.206   8.6926 -5.519440 25.97526 
1 1 1  -67   13   15 o   61.481   9.7375  1624.12  469.908  902.575  1904.21  1670.91  484.904   56.718   23.989   62.319   9.9151 -5.600731 25.95744 
1 1 1  -67   13   16 o   22.470   9.8689 -61.9835  346.763 -3104.2749  1661.70   76.532  354.569   33.308   16.490   25.009   10.451 8.298967 19.52254 
1 1 1  -67   13   17 o  151.349   9.5035  9812.55  1161.96 14535.65  2887.13  8899.65  1269.30  167.602   21.727  142.827   11.030 24.77449 24.36628 
1 1 1  -67   13   18 o   32.302   12.548  358.776  471.743  2335.40  1963.08  237.635  485.984   61.854   25.082   30.473   12.433 31.38014 27.99448 
1 1 1  -67   13   19 o   22.326   10.151 -159.6207  402.318  2116.19  2145.76 -242.5397  409.582   55.972   24.567   21.584   9.9711 34.38754 26.51351 
1 1 1  -67   13   20 o   21.812   9.9583 -147.4162  392.293 -2059.7000  2343.86 -92.3035  397.906   37.563   18.757   22.652   10.217 14.91110 21.35953 
1 1 1  -67   15    1 o  309.464   33.149 42869.68  8199.92   0.0000   0.0000 42869.68  8199.92  ?   ?   309.464   33.149 0.000000 33.14912 
1 1 1  -67   15    2 o  121.137   34.913  6791.27  3622.06   0.0000   0.0000  6791.27  3622.06  ?   ?   121.137   34.913 0.000000 34.91314 
1 1 1  -67   15    3 o  ?   ?  -9982.4473  2295.55   0.0000   0.0000 -9982.4473  2295.55  ?   ?   ?   ?  0.000000      ? 
1 1 1  -67   15    4 o  380.396   40.141 68404.15 12211.11   0.0000   0.0000 68404.15 12211.11  ?   ?   380.396   40.141 0.000000 40.14113 
1 1 1  -67   15    5 o   93.092   36.912  2955.26  4154.26   0.0000   0.0000  2955.26  4154.26  ?   ?    93.092   36.912 0.000000 36.91250 
1 1 1  -67   15    6 o   43.214   17.142  449.537  896.203  438.100  914.071  733.506  4554.75   43.369   17.277   83.564   36.248 -40.19500 40.15545 
1 1 1  -67   15    7 o   32.060   14.367 -316.7628  772.586 -316.7628  772.586   0.0000   0.0000   32.060   14.367  ?   ?  0.000000 14.36667 
1 1 1  -67   15    8 o   49.126   9.0624  1022.17  348.168  998.333  1060.87  1025.05  368.583   52.452   19.148   49.097   9.5898 3.355396 21.41478 
1 1 1  -67   15    9 o   47.854   9.6309  976.794  361.264 -1081.3140  1240.31  1167.58  377.637   36.284   16.961   52.521   9.1900 -16.23711 19.29082 
1 1 1  -67   15   10 o   72.090   7.1927  2151.31  415.400  2327.85  1524.66  2137.16  431.733   72.040   23.053   71.787   7.5184 0.2531891 24.24795 
1 1 1  -67   15   11 o  152.567   8.6975  9637.80  1072.98  7805.74  2630.06 10003.61  1175.23  127.668   26.248  155.204   9.3696 -27.53558 27.87034 
1 1 1  -67   15   12 o   18.719   8.3660 -105.1095  260.116 -443.1966  1463.12 -94.0750  264.327   43.507   19.610   19.074   8.4855 24.43225 21.36733 
1 1 1  -67   15   13 o   69.084   8.4415  2006.44  463.667  3067.72  1733.13  1924.63  481.207   78.918   24.490   67.482   9.0071 11.43623 26.09360 
1 1 1  -67   15   14 o   78.250   12.239  2670.21  752.119  3056.08  1952.53  2602.98  815.012   77.025   26.154   76.650   13.593 0.3756790 29.47517 
1 1 1  -67   15   15 o   19.878   9.3659 -400.3807  391.361  1238.28  1772.56 -484.3546  401.263   57.578   23.647   19.421   9.2479 38.15687 25.39145 
1 1 1  -67   15   16 o   28.503   12.379  -3.9402  532.572 -1569.7900  1946.05  122.827  553.710   41.815   20.034   30.693   12.956 11.12216 23.85871 
1 1 1  -67   15   17 o   23.723   11.176 -500.3482  556.794  1752.85  2139.91 -663.9702  576.656   59.019   25.212   22.976   10.981 36.04338 27.49985 
1 1 1  -67   15   18 o   73.418   15.381  2680.25  887.562  1044.17  2624.03  2891.61  943.153   53.157   24.789   75.947   15.809 -22.78984 29.40037 
1 1 1  -67   15   19 o   55.731   16.853  1733.72  827.480  5720.49  2584.29  1278.29  873.467   73.695   29.148   47.908   17.392 25.78691 33.94205 
1 1 1  -67   15   20 o  118.102   15.540  7672.55  1454.04  8646.60  3503.78  7469.90  1598.16   64.916   29.685  111.279   18.326 -46.36284 34.88616 
1 1 1  -67   17    1 o   56.075   24.917 -542.0391  2272.85   0.0000   0.0000 -542.0391  2272.85  ?   ?    56.075   24.917 0.000000 24.91713 
1 1 1  -67   17    2 o  122.654   36.818  7210.09  3960.13   0.0000   0.0000  7210.09  3960.13  ?   ?   122.654   36.818 0.000000 36.81827 
1 1 1  -67   17    3 o  114.192   38.934  6164.38  4327.12   0.0000   0.0000  6164.38  4327.12  ?   ?   114.192   38.934 0.000000 38.93364 
1 1 1  -67   17    4 o  194.867   39.934 18766.42  6106.29   0.0000   0.0000 18766.42  6106.29  ?   ?   194.867   39.934 0.000000 39.93438 
1 1 1  -67   17    5 o  119.344   41.491  7090.67  4922.77   0.0000   0.0000  7090.67  4922.77  ?   ?   119.344   41.491 0.000000 41.49097 
1 1 1  -67   17    6 o  107.186   26.238  5299.30  2265.14  4690.53  2474.80  8442.42  5623.31  100.132   28.859  126.337   44.321 -26.20568 52.88851 
1 1 1  -67   17    7 o  198.396   13.409 16496.57  2147.33  8304.63  4138.88 19513.80  2511.85  127.158   37.516  215.317   14.451 -88.15951 40.20305 
1 1 1  -67   17    8 o   64.568   10.237  1763.27  518.794  992.173  1649.88  1847.88  546.516   58.446   23.235   66.058   10.544 -7.611275 25.51515 
1 1 1  -67   17    9 o  135.659   11.799  7727.87  1286.77  5464.35  2640.60  8432.75  1473.56  105.327   29.631  141.269   12.992 -35.94176 32.35399 
1 1 1  -67   17   10 o  165.269   13.226 11584.70  1759.97  7875.93  3190.54 13206.80  2110.03  123.979   31.601  175.508   14.949 -51.52938 34.95805 
1 1 1  -67   17   11 o  157.898   12.861 10609.03  1634.53  8839.70  3105.22 11287.17  1922.41  131.707   29.740  161.716   14.805 -30.00870 33.22136 
1 1 1  -67   17   12 o  100.999   11.791  4361.48  948.722  3681.98  2178.74  4520.47  1053.88   84.914   27.596  102.320   12.977 -17.40572 30.49473 
1 1 1  -67   17   13 o   71.245   13.333  2245.75  742.943  2095.38  2107.44  2267.10  793.912   68.203   26.515   71.218   14.227 -3.014709 30.09065 
1 1 1  -67   17   14 o   36.569   13.847  462.989  564.464  487.682  1885.30  460.557  591.602   53.122   23.179   36.952   14.132 16.17036 27.14740 
1 1 1  -67   17   15 o   75.654   14.350  2621.71  849.224  2589.90  2310.06  2626.67  913.167   68.973   27.470   75.049   15.499 -6.075981 31.54042 
1 1 1  -67   17   16 o  123.270   9.5500  6545.62  948.410  7808.95  3210.80  6424.85  992.705  101.066   33.532  121.682   10.140 -20.61634 35.03177 
1 1 1  -67   17   17 o  125.299   10.046  6905.10  1013.46  6469.32  3479.15  6945.50  1059.40   80.034   33.030  125.211   10.518 -45.17654 34.66418 
1 1 1  -67   17   18 o   26.823   12.441 -315.3493  647.078  2280.62  2760.71 -466.2566  665.620   55.511   25.729   26.001   12.240 29.50941 28.49219 
1 1 1  -67   17   19 o   42.984   15.468  1007.73  688.842 -490.5335  2774.92  1106.12  711.100   42.553   21.110   44.570   15.750 -2.016346 26.33752 
1 1 1  -67   19    1 f  117.859   37.365  6792.87  4012.65   0.0000   0.0000  6792.87  4012.65  ?   ?   117.859   37.365 0.000000 37.36522 
1 1 1  -67   19    2 o   90.968   35.562  3139.21  3807.19   0.0000   0.0000  3139.21  3807.19  ?   ?    90.968   35.562 0.000000 35.56205 
1 1 1  -67   19    3 o   93.416   37.621  3157.48  4383.68   0.0000   0.0000  3157.48  4383.68  ?   ?    93.416   37.621 0.000000 37.62070 
1 1 1  -67   19    4 o  258.143   42.450 34365.94  8588.26   0.0000   0.0000 34365.94  8588.26  ?   ?   258.143   42.450 0.000000 42.44978 
1 1 1  -67   19    6 o   92.613   10.200  3583.68  754.288  863.039  2500.37  3856.06  791.146   65.917   27.663   96.081   10.302 -30.16435 29.51881 
1 1 1  -67   19    7 o  172.729   14.069 12629.38  1956.06  7379.91  4118.26 14158.66  2222.79  117.641   37.913  182.367   15.148 -64.72554 40.82731 
1 1 1  -67   19    8 o   52.306   12.363  1189.46  516.740 -612.3287  2033.48  1313.84  534.278   51.025   23.048   55.018   12.272 -3.993439 26.11122 
1 1 1  -67   19    9 o   45.552   13.214  896.456  517.350  1843.12  2089.87  834.655  533.970   68.661   26.485   44.257   13.570 24.40425 29.75879 
1 1 1  -67   19   10 o  131.700   12.841  7403.06  1355.73  5680.69  2948.49  7864.83  1526.69  103.102   31.934  135.106   14.126 -32.00358 34.91857 
1 1 1  -67   19   11 o  109.849   8.4717  5031.14  749.782  1636.62  2626.84  5332.23  782.328   68.537   28.526  113.066   8.5856 -44.52900 29.79026 
1 1 1  -67   19   12 o  103.380   8.5369  4475.84  710.185  890.971  2595.42  4765.97  738.364   62.484   27.232  106.676   8.5974 -44.19216 28.55702 
1 1 1  -67   19   13 o  128.192   8.9641  6919.16  927.181  5703.94  2998.50  7047.63  974.961   95.899   32.411  129.176   9.3588 -33.27786 33.73540 
1 1 1  -67   19   14 o   42.703   12.764  815.186  476.693   74.763  2111.34  854.957  489.328   51.567   23.371   43.640   12.906 7.927265 26.69800 
1 1 1  -67   19   15 o   67.205   10.449  1988.05  551.660 -452.0193  2741.83  2090.99  563.177   52.246   24.669   68.989   10.375 -16.74355 26.76221 
1 1 1  -67   19   16 f   36.496   12.988  567.641  484.366  780.139  2457.97  559.055  494.054   53.240   24.536   36.411   13.100 16.82898 27.81375 
1 1 1  -67   19   17 o   45.054   16.728  1011.82  815.314 -1516.4041  2974.48  1217.20  847.784   45.293   22.356   48.191   17.179 -2.897346 28.19436 
1 1 1  -67   19   18 o   60.612   17.295  2122.94  893.062  5477.20  3103.76  1820.17  932.498   63.063   28.481   54.969   18.063 8.094307 33.72574 
1 1 1  -67   21    1 f   78.694   31.542  2044.87  3065.55   0.0000   0.0000  2044.87  3065.55  ?   ?    78.694   31.542 0.000000 31.54161 
1 1 1  -67   21    6 o  186.238   14.815 14784.20  2221.82  5344.92  5719.92 16461.49  2411.16  103.270   42.454  196.302   15.247 -93.03166 45.10891 
1 1 1  -67   21    7 o   69.242   12.545  2069.69  679.323  1114.65  2686.23  2134.95  702.146   67.729   28.561   70.280   12.775 -2.551620 31.28761 
1 1 1  -67   21    8 o   90.151   13.268  3503.72  942.168   0.0000   0.0000  3503.72  942.168  ?   ?    90.151   13.268 0.000000 13.26808 
1 1 1  -67   21    9 o  132.300   13.779  7540.66  1458.50  4207.50  3655.93  8171.56  1590.55   89.627   34.901  137.371   14.478 -47.74417 37.78465 
1 1 1  -67   21   10 o   82.537   14.228  3005.72  919.084  280.162  2947.05  3299.36  967.328   62.710   28.083   86.541   14.263 -23.83147 31.49783 
1 1 1  -67   21   11 o   56.347   25.229  132.070  2376.99  132.070  2376.99   0.0000   0.0000   56.347   25.229  ?   ?  0.000000 25.22857 
1 1 1  -67   21   12 o   89.972   8.6884  3417.03  626.831 -1009.9140  3059.71  3610.97  640.414   55.780   26.253   92.537   8.6226 -36.75614 27.63296 
1 1 1  -67   21   13 o  111.390   8.7257  5252.68  782.887  8562.32  3413.90  5068.96  804.322  111.715   34.322  109.189   9.1568 2.526337 35.52290 
1 1 1  -67   21   14 o   43.940   11.814  877.716  430.597 -805.9601  2965.22  913.986  435.210   52.451   25.021   44.825   11.797 7.625988 27.66235 
1 1 1  -67   21   15 o   77.587   17.202  3039.51  1055.23  2040.20  3444.63  3143.01  1108.52   61.082   28.456   78.353   17.826 -17.27098 33.57853 
1 1 1  -67   21   16 o   38.503   15.910  522.489  808.700  1077.91  3343.92  487.986  833.441   53.598   25.829   38.354   16.025 15.24394 30.39633 
1 1 1  -67   21   17 f   52.006   18.555  1632.82  989.306  5413.48  3996.74  1386.06  1021.08   59.114   28.424   48.503   18.562 10.61053 33.94827 
1 1 1  -67   23    3 o  121.381   42.539  8551.17  5179.66   0.0000   0.0000  8551.17  5179.66  ?   ?   121.381   42.539 0.000000 42.53937 
1 1 1  -67   23    4 o  112.641   44.795  7479.33  6134.68   0.0000   0.0000  7479.33  6134.68  ?   ?   112.641   44.795 0.000000 44.79545 
1 1 1  -67   23    5 o   73.479   11.479  2305.55  662.462   0.0000   0.0000  2305.55  662.462  ?   ?    73.479   11.479 0.000000 11.47899 
1 1 1  -67   23    6 o   52.686   12.766  1216.15  540.408   0.0000   0.0000  1216.15  540.408  ?   ?    52.686   12.766 0.000000 12.76649 
1 1 1  -67   23    7 o   91.766   13.385  3644.91  967.955  1966.33  3733.49  3765.87  1002.22   77.186   33.146   93.191   13.650 -16.00570 35.84656 
1 1 1  -67   23    8 o  130.381   14.952  7431.56  1554.29   0.0000   0.0000  7431.56  1554.29  ?   ?   130.381   14.952 0.000000 14.95211 
1 1 1  -67   23    9 o  132.014   14.921  7669.71  1571.33  4521.06  4463.97  8115.02  1678.77   88.445   37.031  135.389   15.553 -46.94480 40.16456 
1 1 1  -67   23   10 o   43.728   15.538  775.233  693.053  419.203  2594.03  802.600  719.197   59.190   26.439   44.440   15.825 14.74982 30.81272 
1 1 1  -67   23   11 o   72.674   16.777  2482.08  969.932  1270.30  3790.06  2567.00  1003.34   67.853   30.968   73.760   17.088 -5.906982 35.37004 
1 1 1  -67   23   12 o   45.243   10.620  910.804  383.440   41.158  3786.59  919.813  385.421   61.229   28.935   45.466   10.630 15.76207 30.82624 
1 1 1  -67   23   13 o   30.819   11.019  371.232  349.087  1355.50  3554.58  361.647  350.783   62.025   28.899   30.615   11.036 31.41005 30.93474 
1 1 1  -67   23   14 o   55.727   18.983  1640.69  1028.67  4555.74  3990.91  1433.24  1064.64   69.492   31.740   52.752   19.193 16.73971 37.09209 
1 1 1  -67   23   15 o   30.515   13.894 -166.4957  757.157 -2649.1101  4055.89 -76.8532  770.706   47.804   23.987   31.560   14.228 16.24339 27.88953 
1 1 1  -67   23   16 o   27.657   13.051 -465.2740  765.341 -4393.5498  3708.35 -290.5092  782.181   41.222   20.942   29.240   13.601 11.98231 24.97108 
1 1 1  -67   25    1 o  175.713   48.292 20017.98  7102.96   0.0000   0.0000 20017.98  7102.96  ?   ?   175.713   48.292 0.000000 48.29208 
1 1 1  -67   25    2 o  226.119   47.711 32000.36  8484.44   0.0000   0.0000 32000.36  8484.44  ?   ?   226.119   47.711 0.000000 47.71117 
1 1 1  -67   25    3 o   70.437   31.052  740.613  3462.20   0.0000   0.0000  740.613  3462.20  ?   ?    70.437   31.052 0.000000 31.05184 
1 1 1  -67   25    4 o  133.618   48.378 13248.97  6752.09   0.0000   0.0000 13248.97  6752.09  ?   ?   133.618   48.378 0.000000 48.37767 
1 1 1  -67   25    5 o  121.136   14.042  6352.70  1355.57   0.0000   0.0000  6352.70  1355.57  ?   ?   121.136   14.042 0.000000 14.04232 
1 1 1  -67   25    6 o   83.217   14.517  3059.55  945.257   0.0000   0.0000  3059.55  945.257  ?   ?    83.217   14.517 0.000000 14.51735 
1 1 1  -67   25    7 o   93.773   14.643  3892.39  1078.50  6020.92  5209.42  3797.07  1102.38   95.393   39.976   92.288   15.243 3.105469 42.78347 
1 1 1  -67   25    8 o   27.404   12.331 -221.9603  575.587  5269.64  3804.02 -350.6353  582.292   91.153   35.571   26.278   12.048 64.87492 37.55619 
1 1 1  -67   25    9 f   83.767   17.017  3271.16  1117.92  5158.56  4883.80  3166.80  1148.41   86.142   37.451   81.920   17.776 4.221703 41.45547 
1 1 1  -67   25   10 o   88.297   17.759  3720.04  1229.12 -9520.6680  5062.73  4549.35  1267.03   50.806   25.659   98.954   16.340 -48.14820 30.41981 
1 1 1  -67   25   11 o   55.959   18.344  1529.45  961.943 -5769.3931  3844.17  2017.02  993.553   47.453   23.745   63.661   18.267 -16.20780 29.95843 
1 1 1  -67   25   12 f   45.657   17.694  878.775  936.163 -2284.3511  4243.85  1040.57  959.807   53.974   26.653   47.944   18.080 6.029720 32.20651 
1 1 1  -67   25   13 o   50.135   18.343  1273.70  974.435  8980.11  4776.05  938.977  995.372   80.349   35.883   45.827   18.101 34.52172 40.19034 
1 1 1  -67   25   14 o   71.243   21.160  3106.52  1313.17  1900.85  5325.69  3184.57  1355.01   55.918   27.976   71.618   21.545 -15.70005 35.31062 
1 1 1  -67   25   15 o   26.129   12.625 -833.2786  811.661  317.465  5172.33 -862.3312  821.843   49.215   24.974   26.156   12.654 23.05859 27.99714 
1 1 1  -67   27    1 o  104.450   39.704  6927.12  4652.17   0.0000   0.0000  6927.12  4652.17  ?   ?   104.450   39.704 0.000000 39.70391 
1 1 1  -67   27    2 o   51.875   24.928 -2856.7141  3062.34   0.0000   0.0000 -2856.7141  3062.34  ?   ?    51.875   24.928 0.000000 24.92762 
1 1 1  -67   27    3 f  101.547   40.773  6954.67  5132.22   0.0000   0.0000  6954.67  5132.22  ?   ?   101.547   40.773 0.000000 40.77262 
1 1 1  -67   27    4 o   54.966   14.173  1355.45  636.642   0.0000   0.0000  1355.45  636.642  ?   ?    54.966   14.173 0.000000 14.17334 
1 1 1  -67   27    5 o   60.043   16.567  1659.62  834.038   0.0000   0.0000  1659.62  834.038  ?   ?    60.043   16.567 0.000000 16.56720 
1 1 1  -67   27    6 o  104.813   16.294  4993.21  1341.65   0.0000   0.0000  4993.21  1341.65  ?   ?   104.813   16.294 0.000000 16.29386 
1 1 1  -67   27    7 o   71.646   17.964  2450.33  1043.08   0.0000   0.0000  2450.33  1043.08  ?   ?    71.646   17.964 0.000000 17.96358 
1 1 1  -67   27    8 o   64.132   18.466  2005.47  1013.66  2716.69  6195.33  1985.91  1027.51   75.481   36.051   63.751   18.660 11.73042 40.59383 
1 1 1  -67   27    9 o  107.798   18.062  5618.62  1525.05 13783.46  6626.41  5161.96  1567.11  101.996   43.983  101.742   19.682 0.2546844 48.18545 
1 1 1  -67   27   10 o   63.280   30.668  867.394  4881.12  3077.62  5608.94 -6029.7061  9908.23   68.922   33.274   63.451   32.413 5.470680 46.45188 
1 1 1  -67   27   11 o   51.286   19.278  1308.58  1089.39  6001.46  6620.98  1178.00  1104.45   69.347   34.057   49.716   19.232 19.63115 39.11224 
1 1 1  -67   27   12 o   54.989   20.251  1714.20  1190.46 -1209.0060  5740.33  1845.57  1216.92   54.689   27.583   56.553   20.528 -1.864288 34.38395 
1 1 1  -67   27   13 o   52.826   19.652  1668.10  1126.34  3038.21  4921.79  1592.39  1157.05   55.748   27.732   51.774   19.772 3.974598 34.05843 
1 1 1  -67   29    1 o   82.979   37.565  3850.37  5436.75   0.0000   0.0000  3850.37  5436.75  ?   ?    82.979   37.565 0.000000 37.56484 
1 1 1  -67   29    2 o  102.826   44.513 10403.38  6840.26   0.0000   0.0000 10403.38  6840.26  ?   ?   102.826   44.513 0.000000 44.51278 
1 1 1  -67   29    3 o   63.560   30.339 -1061.8260  4374.26   0.0000   0.0000 -1061.8260  4374.26  ?   ?    63.560   30.339 0.000000 30.33927 
1 1 1  -67   29    4 o   49.907   17.024  1110.91  827.317   0.0000   0.0000  1110.91  827.317  ?   ?    49.907   17.024 0.000000 17.02396 
1 1 1  -67   29    5 o   92.046   18.097  4055.80  1304.31   0.0000   0.0000  4055.80  1304.31  ?   ?    92.046   18.097 0.000000 18.09678 
1 1 1  -67   29    6 o   58.594   19.002  1684.07  1033.33   0.0000   0.0000  1684.07  1033.33  ?   ?    58.594   19.002 0.000000 19.00244 
1 1 1  -67   29    7 o   36.542   15.718  166.025  841.896   0.0000   0.0000  166.025  841.896  ?   ?    36.542   15.718 0.000000 15.71758 
1 1 1  -67   29    8 o   73.298   20.701  2889.56  1286.23  4079.44  9083.54  2865.21  1299.32   69.945   35.204   72.806   20.890 -2.860710 40.93535 
1 1 1  -67   29    9 o   65.186   32.499  3252.27  6918.95  3011.23  9046.65  3591.96 10739.40   65.104   33.037   65.574   33.518 -0.4699402 47.06245 
1 1 1  -67   29   10 o   61.316   21.428  2239.61  1313.78  8386.15  7912.15  2065.33  1332.28   66.110   33.218   59.054   21.473 7.055779 39.55381 
1 1 1  -67   29   11 o   47.618   19.652  1162.28  1231.58 13592.27  8392.86  888.736  1245.05   64.673   32.707   45.102   19.248 19.57147 37.95020 
1 1 1  -67   31    1 o   82.562   37.992  6687.18  5863.57   0.0000   0.0000  6687.18  5863.57  ?   ?    82.562   37.992 0.000000 37.99181 
1 1 1  -67   31    2 o   84.168   40.160  9396.16  7648.05   0.0000   0.0000  9396.16  7648.05  ?   ?    84.168   40.160 0.000000 40.15968 
1 1 1  -67   31    3 o   63.246   30.996 -518.0797  5394.63   0.0000   0.0000 -518.0797  5394.63  ?   ?    63.246   30.996 0.000000 30.99635 
1 1 1  -67   31    4 f   77.776   38.343  9067.73  8658.96   0.0000   0.0000  9067.73  8658.96  ?   ?    77.776   38.343 0.000000 38.34333 
1 1 1  -67   31    5 o   61.658   31.217 -3206.3291  7779.55   0.0000   0.0000 -3206.3291  7779.55  ?   ?    61.658   31.217 0.000000 31.21713 
1 1 1  -67   31    6 o   72.052   36.283 10600.58  9716.12   0.0000   0.0000 10600.58  9716.12  ?   ?    72.052   36.283 0.000000 36.28299 
1 1 1  -67   31    7 o   56.964   29.114 -4497.6582  8086.04   0.0000   0.0000 -4497.6582  8086.04  ?   ?    56.964   29.114 0.000000 29.11436 
1 1 1  -67   31    8 o   52.773   27.188 -10420.6299  9190.24   0.0000   0.0000 -10420.6299  9190.24  ?   ?    52.773   27.188 0.000000 27.18825 
1 1 1  -66    0    1 o  245.178   25.054 25442.98  4868.25 25442.98  4868.25   0.0000   0.0000  245.178   25.054  245.178   25.054 0.000000 0.000000 
1 1 1  -66    0    2 o  522.135   41.079 116204.20 17167.64   0.0000   0.0000 116204.20 17167.64  522.135   41.079  522.135   41.079 -0.000000 0.000000 
1 1 1  -66    0    3 o  553.204   43.676 130981.90 19337.28   0.0000   0.0000 130981.90 19337.28  553.204   43.676  553.204   43.676 -0.000000 0.000000 
1 1 1  -66    0    4 o   51.557   12.036  1242.30  438.037  1242.30  438.037   0.0000   0.0000   51.557   12.036   51.557   12.036 0.000000 0.000000 
1 1 1  -66    0    5 o  113.674   11.714  5424.97  1054.92   0.0000   0.0000  5424.97  1054.92  113.674   11.714  113.674   11.714 -0.000000 0.000000 
1 1 1  -66    0    6 o   67.011   13.265  2028.64  641.480   0.0000   0.0000  2028.64  641.480   67.011   13.265   67.011   13.265 -0.000000 0.000000 
1 1 1  -66    0    7 o  151.573   14.183  9609.86  1710.38   0.0000   0.0000  9609.86  1710.38  151.573   14.183  151.573   14.183 -0.000000 0.000000 
1 1 1  -66    0    8 o  163.644   15.029 11201.54  1958.28   0.0000   0.0000 11201.54  1958.28  163.644   15.029  163.644   15.029 -0.000000 0.000000 
1 1 1  -66    0    9 o   45.830   18.660  1196.94  682.002   0.0000   0.0000  1196.94  682.002   45.830   18.660   45.830   18.660 -0.000000 0.000000 
1 1 1  -66    0   10 o  393.095   29.222 65414.36  9208.51   0.0000   0.0000 65414.36  9208.51  393.095   29.222  393.095   29.222 -0.000000 0.000000 
1 1 1  -66    0   11 o  116.808   15.894  5887.41  1428.58   0.0000   0.0000  5887.41  1428.58  116.808   15.894  116.808   15.894 -0.000000 0.000000 
1 1 1  -66    0   12 o   35.671   19.751  726.253  838.772   0.0000   0.0000  726.253  838.772   35.671   19.751   35.671   19.751 -0.000000 0.000000 
1 1 1  -66    0   13 f  182.055   17.562 14052.13  2540.58   0.0000   0.0000 14052.13  2540.58  182.055   17.562  182.055   17.562 -0.000000 0.000000 
1 1 1  -66    0   14 o  262.770   21.990 29485.24  4616.21   0.0000   0.0000 29485.24  4616.21  262.770   21.990  262.770   21.990 -0.000000 0.000000 
1 1 1  -66    0   15 o   67.712   22.750  2457.29  1117.08  2457.29  1117.08   0.0000   0.0000   67.712   22.750   67.712   22.750 0.000000 0.000000 
1 1 1  -66    0   16 o   62.682   25.838  2329.47  1302.95  2329.47  1302.95   0.0000   0.0000   62.682   25.838   62.682   25.838 0.000000 0.000000 
1 1 1  -66    0   17 o   25.920   17.520 -456.7097  1081.45 -456.7097  1081.45   0.0000   0.0000   25.920   17.520   25.920   17.520 0.000000 0.000000 
1 1 1  -66    0   18 o   63.221   27.072  2462.65  1420.17   0.0000   0.0000  2462.65  1420.17   63.221   27.072   63.221   27.072 -0.000000 0.000000 
1 1 1  -66    0   19 o   57.613   27.481  2176.55  1471.86   0.0000   0.0000  2176.55  1471.86   57.613   27.481   57.613   27.481 -0.000000 0.000000 
1 1 1  -66    0   20 o   38.209   23.510  679.089  1417.16   0.0000   0.0000  679.089  1417.16   38.209   23.510   38.209   23.510 -0.000000 0.000000 
1 1 1  -66    0   21 o   21.524   15.358 -1579.8090  1198.54   0.0000   0.0000 -1579.8090  1198.54   21.524   15.358   21.524   15.358 -0.000000 0.000000 
1 1 1  -66    0   22 o   28.342   19.833 -1209.7450  1700.75   0.0000   0.0000 -1209.7450  1700.75   28.342   19.833   28.342   19.833 -0.000000 0.000000 
1 1 1  -66    2    1 o  429.181   23.839 76470.61  8274.78 73255.91 11637.10 79758.38 11768.63  414.867   34.869  433.650   33.688 -18.78287 48.48428 
1 1 1  -66    2    2 f  505.014   22.751 105455.90  9329.25 108373.20 11247.87 99024.76 16700.55  509.255   27.301  476.333   43.666 32.92157 51.49825 
1 1 1  -66    2    3 o  129.496   8.9095  6860.21  931.097  6565.32  1014.14  8442.92  2349.44  126.546   9.9501  141.573   21.081 -15.02685 23.31154 
1 1 1  -66    2    4 o  518.362   27.945 112737.80 11718.29 116050.50 15745.60 108624.90 17544.26  519.246   37.601  497.222   43.907 22.02438 57.80679 
1 1 1  -66    2    5 o  374.737   26.988 59035.49  8156.70   0.0000   0.0000 59035.49  8156.70  ?   ?   374.737   26.988 0.000000 26.98778 
1 1 1  -66    2    6 o  300.863   15.586 37254.57  3794.34 36560.52  5428.97 37917.33  5305.19  295.775   22.781  301.599   21.811 -5.823914 31.53866 
1 1 1  -66    2    7 o  106.851   8.5127  4681.44  732.431  3989.89  1114.38  5207.37  971.819   97.586   14.505  112.415   10.779 -14.82953 18.07177 
1 1 1  -66    2    8 o  166.703   10.482 11397.93  1411.56 10754.28  2060.68 11966.94  1937.50  160.811   15.994  170.136   14.154 -9.324860 21.35725 
1 1 1  -66    2    9 o  225.527   12.797 20944.01  2333.69 20256.21  3353.30 21590.02  3249.81  219.943   18.962  227.543   17.730 -7.600403 25.95963 
1 1 1  -66    2   10 f  180.718   11.182 13446.27  1632.71 14713.73  2378.80 12317.37  2245.02  187.831   15.743  171.574   16.311 16.25677 22.66898 
1 1 1  -66    2   11 o   54.306   13.159  1266.95  574.160  2451.16  899.027  451.259  746.147   75.514   15.189   40.704   15.790 34.81050 21.90948 
1 1 1  -66    2   12 o  198.982   12.331 16462.02  1982.49 16576.28  2880.97 16359.24  2732.28  196.985   18.219  196.138   17.335 0.8474884 25.14775 
1 1 1  -66    2   13 o  185.336   12.315 14360.68  1842.63 13359.50  2661.80 15281.92  2553.33  175.287   19.006  188.904   16.823 -13.61665 25.38207 
1 1 1  -66    2   14 o   58.747   15.461  1523.10  747.550  2563.86  1136.47  729.339  992.490   75.386   18.665   47.597   18.280 27.78900 26.12560 
1 1 1  -66    2   15 o  131.673   11.906  7342.95  1259.19  7608.07  1834.95  7106.99  1731.11  130.909   17.718  126.729   17.273 4.179398 24.74471 
1 1 1  -66    2   16 o  140.174   12.021  8384.10  1354.99  9151.25  2004.07  7738.10  1839.04  142.660   17.680  131.017   17.744 11.64326 25.04825 
1 1 1  -66    2   17 o   50.440   17.293  1108.48  853.685  993.704  1202.70  1225.03  1211.93   51.547   20.033   54.344   20.351 -2.796700 28.55692 
1 1 1  -66    2   18 o   26.465   12.512 -695.2841  709.565 -1906.0990  1155.77   37.148  898.912   29.350   14.376   36.688   16.007 -7.338018 21.51515 
1 1 1  -66    2   19 o   99.072   15.646  4623.79  1216.81  4068.60  1880.31  5023.81  1596.07   82.813   25.477   98.564   20.606 -15.75169 32.76752 
1 1 1  -66    2   20 o   74.142   10.108  2439.90  592.625  1347.86  1555.96  2625.20  640.935   52.555   21.921   76.643   10.581 -24.08777 24.34142 
1 1 1  -66    2   21 o   91.897   9.5399  3779.21  701.470  555.512  2049.87  4206.79  746.542   46.321   21.701   96.924   9.6128 -50.60391 23.73470 
1 1 1  -66    2   22 o   50.316   11.281  1244.89  449.489 -1365.9500  1933.91  1393.98  462.145   35.665   17.680   53.564   10.994 -17.89959 20.81986 
1 1 1  -66    4    1 o   53.839   8.4356  1208.06  356.655  886.358  367.418  6459.15  1484.44   45.750   10.156  124.769   14.950 -79.01968 18.07355 
1 1 1  -66    4    2 o   89.814   9.5684  3322.79  687.043  3303.41  731.604  3467.52  1999.16   89.453   10.258   90.228   25.918 -0.7752380 27.87461 
1 1 1  -66    4    3 o  384.972   17.932 60909.23  5605.25 57991.70  6685.44 67813.69 10284.60  373.838   22.123  399.832   31.946 -25.99435 38.85820 
1 1 1  -66    4    4 o  510.977   27.983 109656.90 11565.92 114452.80 15562.77 103740.10 17285.96  515.388   37.445  484.964   44.391 30.42447 58.07437 
1 1 1  -66    4    5 o  218.383   17.683 19747.79  3108.61 19747.79  3108.61   0.0000   0.0000  218.383   17.683  ?   ?  0.000000 17.68288 
1 1 1  -66    4    6 o  156.991   13.079 10155.14  1652.04   0.0000   0.0000 10155.14  1652.04  ?   ?   156.991   13.079 0.000000 13.07913 
1 1 1  -66    4    7 o  281.456   14.754 32616.85  3360.06 33252.82  4873.03 32040.45  4639.26  282.033   21.440  277.061   20.773 4.971985 29.85316 
1 1 1  -66    4    8 o  287.369   15.085 34076.29  3507.45 35207.91  5084.26 33048.68  4844.95  289.622   21.780  280.705   21.419 8.917175 30.54680 
1 1 1  -66    4    9 o  206.824   11.858 17596.30  1983.06 19630.34  2945.31 15909.60  2682.07  217.094   16.841  195.236   17.091 21.85793 23.99392 
1 1 1  -66    4   10 o  214.246   12.603 18957.29  2182.72 18151.96  3201.08 19657.11  2984.00  207.309   19.236  216.656   17.101 -9.347672 25.73888 
1 1 1  -66    4   11 o  146.560   10.518  8871.37  1243.34  8850.01  1895.49  8887.50  1647.22  144.644   16.431  145.719   14.098 -1.075836 21.65010 
1 1 1  -66    4   12 o   56.835   12.536  1390.69  563.002  1832.87  996.146  1183.16  682.453   64.736   18.195   52.519   15.160 12.21709 23.68291 
1 1 1  -66    4   13 o  111.858   10.982  5233.53  984.547  4411.06  1496.33  5861.44  1307.43   99.654   19.189  117.416   13.989 -17.76204 23.74657 
1 1 1  -66    4   14 o   75.227   12.745  2435.60  750.724  2860.24  1197.67  2160.78  963.498   79.527   18.837   69.493   17.174 10.03378 25.49122 
1 1 1  -66    4   15 o   74.050   13.807  2400.72  799.599  2669.59  1305.32  2239.24  1011.61   75.654   20.665   70.152   17.747 5.502129 27.23944 
1 1 1  -66    4   16 o  102.027   8.0898  4338.70  664.689  2266.20  1621.55  4757.26  728.725   69.177   23.826  106.730   8.4788 -37.55274 25.29007 
1 1 1  -66    4   17 o  135.891   9.0823  7767.24  996.353  6389.48  2160.41  8139.45  1122.90  111.831   24.472  138.590   10.047 -26.75928 26.45419 
1 1 1  -66    4   18 o   18.831   8.6484 -200.9440  301.802 -676.1960  1344.23 -175.7161  309.709   38.538   17.895   19.475   8.8746 19.06281 19.97429 
1 1 1  -66    4   19 o   69.809   9.0933  2107.16  503.200  1948.36  1672.78  2122.96  527.639   60.618   23.607   69.860   9.5522 -9.241985 25.46635 
1 1 1  -66    4   20 o   50.301   11.004  1161.06  436.948 -378.6417  1704.31  1269.39  452.058   42.059   19.731   52.693   10.924 -10.63380 22.55330 
1 1 1  -66    4   21 o   58.295   12.041  1630.86  551.075  598.685  1594.83  1770.81  587.247   44.046   20.097   60.563   12.360 -16.51679 23.59410 
1 1 1  -66    4   22 o   57.892   12.128  1686.10  551.857  593.349  1729.05  1810.05  582.313   41.092   19.459   59.777   12.404 -18.68586 23.07613 
1 1 1  -66    6    1 o  145.232   11.378  8656.61  1331.04  7018.41  1501.48 14668.10  2876.26  130.193   14.447  187.867   19.122 -57.67366 23.96607 
1 1 1  -66    6    2 o  140.219   10.759  8064.31  1215.65  8167.67  1328.25  7531.01  3017.02  140.989   11.709  131.659   29.005 9.329376 31.27914 
1 1 1  -66    6    3 o  203.991   14.734 17127.69  2424.00 17127.69  2424.00   0.0000   0.0000  203.991   14.734  ?   ?  0.000000 14.73379 
1 1 1  -66    6    4 o  166.709   15.427 11491.75  2064.57 11491.75  2064.57   0.0000   0.0000  166.709   15.427  ?   ?  0.000000 15.42711 
1 1 1  -66    6    5 o  200.544   17.224 16666.67  2777.38 16666.67  2777.38   0.0000   0.0000  200.544   17.224  ?   ?  0.000000 17.22355 
1 1 1  -66    6    6 o  120.593   14.119  6042.10  1356.37  6042.10  1356.37   0.0000   0.0000  120.593   14.119  ?   ?  0.000000 14.11949 
1 1 1  -66    6    7 o  262.845   19.509 28797.42  4134.01   0.0000   0.0000 28797.42  4134.01  ?   ?   262.845   19.509 0.000000 19.50932 
1 1 1  -66    6    8 o  151.304   9.5171  9385.19  1163.25 11795.98  1833.93  7762.35  1504.67  168.940   13.482  136.776   13.734 32.16434 19.24524 
1 1 1  -66    6    9 o  179.990   11.101 13327.28  1614.50 12492.38  2444.76 13973.01  2150.02  172.488   17.707  183.468   14.552 -10.98083 22.91942 
1 1 1  -66    6   10 o  284.441   15.729 33724.37  3618.70 31074.25  5274.56 36080.96  4973.88  268.092   24.501  291.218   21.180 -23.12543 32.38683 
1 1 1  -66    6   11 o  302.686   16.983 38602.26  4157.12 33736.93  6026.44 43019.10  5741.96  275.095   27.342  315.269   22.580 -40.17365 35.46056 
1 1 1  -66    6   12 o  123.307   10.722  6324.78  1062.80  6031.08  1721.06  6505.81  1351.22  117.618   18.643  124.178   13.625 -6.559982 23.09121 
1 1 1  -66    6   13 o   99.023   11.062  4117.98  874.193  3185.91  1421.02  4685.52  1108.85   83.685   20.959  104.967   13.309 -21.28238 24.82727 
1 1 1  -66    6   14 o  124.879   8.1524  6451.56  822.103  3870.52  1804.19  7127.88  923.553   90.257   24.146  131.114   8.7249 -40.85699 25.67415 
1 1 1  -66    6   15 o   59.740   8.4668  1504.51  399.206  711.497  1253.53  1594.02  421.133   50.062   20.133   61.467   8.6794 -11.40512 21.92407 
1 1 1  -66    6   16 o   54.552   9.1637  1272.41  391.505  2264.76  1333.27  1178.76  409.560   68.843   21.499   52.223   10.023 16.61993 23.72061 
1 1 1  -66    6   17 o   33.404   11.123  457.616  353.194  517.068  1315.82  453.000  366.650   47.581   20.023   33.456   11.334 14.12513 23.00793 
1 1 1  -66    6   18 o   90.011   8.7626  3444.51  632.300  5290.44  1746.84  3166.19  678.294  101.492   21.844   85.723   9.9288 15.76821 23.99506 
1 1 1  -66    6   19 o   20.377   9.0578 -81.6995  300.597  1246.58  1533.19 -134.7993  306.547   53.265   21.948   19.801   8.9459 33.46373 23.70110 
1 1 1  -66    6   20 o   78.544   9.9858  2744.76  622.444  2511.04  1909.04  2772.57  658.425   61.347   24.784   78.527   10.597 -17.18007 26.95449 
1 1 1  -66    6   21 o   60.552   10.578  1706.68  501.142  154.324  1961.07  1815.13  518.352   43.175   20.526   62.468   10.598 -19.29351 23.10065 
1 1 1  -66    6   22 o   32.541   12.132  497.446  429.745 -2655.2661  2001.73  649.777  440.005   32.458   16.360   35.815   12.407 -3.357277 20.53281 
1 1 1  -66    8    1 o  622.989   49.936 174244.50 25047.60   0.0000   0.0000 174244.50 25047.60  ?   ?   622.989   49.936 0.000000 49.93596 
1 1 1  -66    8    2 o  416.214   35.564 74483.34 11903.63   0.0000   0.0000 74483.34 11903.63  ?   ?   416.214   35.564 0.000000 35.56431 
1 1 1  -66    8    3 o  292.945   29.950 36529.18  7023.80   0.0000   0.0000 36529.18  7023.80  ?   ?   292.945   29.950 0.000000 29.95007 
1 1 1  -66    8    4 o   68.710   13.670  2000.24  735.840  1686.73  761.486  6420.73  2859.40   62.883   15.103  121.041   29.389 -58.15772 33.04242 
1 1 1  -66    8    5 o  436.771   22.781 79661.13  8051.31 72245.06 10479.76 90343.75 12577.76  410.604   31.678  457.537   34.101 -46.93329 46.54453 
1 1 1  -66    8    6 o  167.341   15.875 11626.05  2131.28 11626.05  2131.28   0.0000   0.0000  167.341   15.875  ?   ?  0.000000 15.87550 
1 1 1  -66    8    7 f  217.856   12.110 19503.93  2133.76 19763.72  3193.40 19294.38  2867.96  217.665   18.237  215.568   16.511 2.096100 24.60044 
1 1 1  -66    8    8 o  345.174   25.406 50886.27  7070.59   0.0000   0.0000 50886.27  7070.59  ?   ?   345.174   25.406 0.000000 25.40640 
1 1 1  -66    8    9 o   58.971   9.2332  1455.90  427.600 -516.5272  974.196  1926.59  475.893   35.119   15.900   68.098   8.8134 -32.97938 18.17897 
1 1 1  -66    8   10 o   77.278   9.5575  2484.71  586.917  4214.98  1177.99  1913.36  676.919   99.644   15.027   66.961   12.918 32.68227 19.81629 
1 1 1  -66    8   11 o  390.755   20.565 65678.70  6501.90 67531.77  9377.78 63963.29  9022.66  383.924   30.330  374.124   29.953 9.799805 42.62694 
1 1 1  -66    8   12 o   45.648   8.4245  882.230  300.746 -1944.6460  1115.57  1103.78  312.309   29.433   14.354   51.334   7.7327 -21.90085 16.30397 
1 1 1  -66    8   13 o  149.744   8.8602  9276.52  1072.49  4871.29  2260.36 10556.42  1218.37  100.568   27.079  159.574   9.4453 -59.00608 28.67858 
1 1 1  -66    8   14 f  151.013   8.5410  9448.50  1042.98  9592.88  2161.15  9404.66  1190.84  146.930   18.527  150.178   9.8199 -3.247330 20.96834 
1 1 1  -66    8   15 o   16.301   7.6331 -248.6413  253.062 -1454.3440  1144.08 -186.6169  259.489   31.836   15.282   17.424   8.0085 14.41161 17.25298 
1 1 1  -66    8   16 f  182.193   9.6702 13952.27  1425.43 13844.53  2880.36 13987.21  1640.38  171.017   21.197  181.379   11.193 -10.36194 23.97086 
1 1 1  -66    8   17 o   89.169   8.4086  3352.57  601.611  1427.67  1700.01  3628.15  643.236   58.783   23.514   92.693   8.6462 -33.91003 25.05344 
1 1 1  -66    8   18 f   20.705   9.0012 -26.5522  282.090 -1145.0690  1451.32   17.363  287.574   37.250   17.694   21.698   9.2552 15.55253 19.96876 
1 1 1  -66    8   19 o   21.619   9.3847 -14.1784  305.748 -870.9478  1600.66   18.266  311.483   39.487   18.706   22.371   9.5895 17.11623 21.02092 
1 1 1  -66    8   20 o   32.263   11.946  420.210  415.274 -3615.3679  1783.71  651.484  427.008   31.450   15.798   37.539   12.218 -6.088991 19.97133 
1 1 1  -66    8   21 o   35.378   12.911  581.883  482.277  4815.90  2025.29  327.362  496.561   72.812   26.475   30.933   12.588 41.87957 29.31531 
1 1 1  -66    8   22 o   32.573   12.239  510.454  439.009  911.988  2189.22  493.631  448.112   41.481   20.202   32.292   12.311 9.189346 23.65796 
1 1 1  -66   10    1 o  411.799   35.341 73211.99 11702.54   0.0000   0.0000 73211.99 11702.54  ?   ?   411.799   35.341 0.000000 35.34148 
1 1 1  -66   10    2 o  426.872   36.875 79162.45 12655.67   0.0000   0.0000 79162.45 12655.67  ?   ?   426.872   36.875 0.000000 36.87514 
1 1 1  -66   10    3 o  338.013   32.700 49195.13  8862.63   0.0000   0.0000 49195.13  8862.63  ?   ?   338.013   32.700 0.000000 32.70036 
1 1 1  -66   10    4 o   80.649   31.143  1948.01  2892.28   0.0000   0.0000  1948.01  2892.28  ?   ?    80.649   31.143 0.000000 31.14334 
1 1 1  -66   10    5 o   88.142   15.357  3285.65  1059.15  2581.57  1105.48 11161.69  3697.37   77.527   17.920  159.646   29.613 -82.11937 34.61346 
1 1 1  -66   10    6 o  139.574   15.387  8120.57  1714.83  8120.57  1714.83   0.0000   0.0000  139.574   15.387  ?   ?  0.000000 15.38713 
1 1 1  -66   10    7 o  167.779   16.530 11761.60  2222.62 11761.60  2222.62   0.0000   0.0000  167.779   16.530  ?   ?  0.000000 16.52983 
1 1 1  -66   10    9 o  118.180   9.9793  5768.46  948.644  2577.96  1632.18  7396.03  1165.77   77.118   23.739  133.736   10.828 -56.61800 26.09175 
1 1 1  -66   10   10 f  210.730   12.561 18448.79  2139.41 17743.67  3288.33 18966.32  2817.19  203.037   20.215  211.952   16.500 -8.915359 26.09380 
1 1 1  -66   10   11 o  133.471   7.6429  7320.22  824.852  7566.52  1866.46  7260.44  919.518  132.333   17.824  132.717   8.5788 -0.3844604 19.78104 
1 1 1  -66   10   12 o  102.283   7.3735  4311.08  608.266  3883.79  1479.74  4397.97  667.246   92.855   20.201  103.174   8.0280 -10.31941 21.73779 
1 1 1  -66   10   13 o  165.987   9.0941 11418.87  1221.00  8417.93  2494.91 12363.99  1400.14  134.698   23.676  172.355   10.048 -37.65742 25.71986 
1 1 1  -66   10   14 f  206.226   10.119 17726.01  1694.49 17537.17  3365.98 17790.12  1961.11  195.607   21.550  205.336   11.812 -9.728760 24.57539 
1 1 1  -66   10   15 o   32.809   10.755  438.707  330.660  619.135  1290.16  426.023  342.087   49.152   20.179   32.626   10.948 16.52568 22.95775 
1 1 1  -66   10   16 o   32.649   11.321  417.999  366.410 -1623.2000  1365.03  576.493  380.369   34.571   16.620   36.762   11.484 -2.190315 20.20159 
1 1 1  -66   10   17 o  157.615   9.6744 10558.91  1232.12  8923.34  2676.10 10998.89  1387.98  127.702   26.669  160.049   10.743 -32.34716 28.75162 
1 1 1  -66   10   18 o   66.574   10.367  1947.82  542.151  3325.27  1782.39  1807.39  569.118   75.409   24.982   63.569   11.447 11.84007 27.47969 
1 1 1  -66   10   19 o   59.043   10.690  1571.73  493.618  1288.18  1886.31  1592.57  511.440   53.535   23.275   59.257   11.036 -5.722305 25.75862 
1 1 1  -66   10   20 o   98.921   9.7491  4376.62  772.874  3248.00  2355.51  4512.78  818.169   61.690   26.405  100.014   10.218 -38.32399 28.31355 
1 1 1  -66   10   21 o   47.504   14.205  1211.96  590.325 -973.9522  2200.54  1381.47  612.787   38.816   19.172   50.719   14.276 -11.90257 23.90375 
1 1 1  -66   12    1 o  473.230   40.318 99503.62 15344.16   0.0000   0.0000 99503.62 15344.16  ?   ?   473.230   40.318 0.000000 40.31750 
1 1 1  -66   12    2 o  345.985   33.239 51976.18  9222.72   0.0000   0.0000 51976.18  9222.72  ?   ?   345.985   33.239 0.000000 33.23852 
1 1 1  -66   12    3 o  177.128   32.409 13866.47  4489.35   0.0000   0.0000 13866.47  4489.35  ?   ?   177.128   32.409 0.000000 32.40900 
1 1 1  -66   12    4 o  156.378   34.502 11022.95  4263.42   0.0000   0.0000 11022.95  4263.42  ?   ?   156.378   34.502 0.000000 34.50241 
1 1 1  -66   12    5 o   86.135   19.112  3203.40  1301.76  2299.44  1377.55 10746.57  3979.34   73.404   21.640  154.603   32.720 -81.19940 39.22852 
1 1 1  -66   12    6 o  143.616   17.581  8692.10  2007.36  8692.10  2007.36   0.0000   0.0000  143.616   17.581  ?   ?  0.000000 17.58130 
1 1 1  -66   12    7 o  252.328   22.218 27169.38  4505.56 27169.38  4505.56   0.0000   0.0000  252.328   22.218  ?   ?  0.000000 22.21758 
1 1 1  -66   12    8 o  156.384   18.620 10416.95  2317.89 10416.95  2317.89   0.0000   0.0000  156.384   18.620  ?   ?  0.000000 18.62019 
1 1 1  -66   12    9 o  373.113   15.916 58295.60  4821.79 55888.39  8784.79 59333.50  5768.37  349.499   31.287  373.519   19.083 -24.01996 36.64780 
1 1 1  -66   12   10 o  365.170   15.828 56134.29  4693.24 52091.00  8544.10 57881.39  5616.42  333.141   31.979  367.656   18.878 -34.51508 37.13553 
1 1 1  -66   12   11 o  207.331   10.148 17763.27  1708.44 14087.21  3427.77 18978.27  1970.65  176.076   24.652  213.529   11.407 -37.45328 27.16306 
1 1 1  -66   12   12 o   93.301   7.6441  3599.19  574.012  1083.41  1609.85  3965.63  614.395   58.446   23.041   97.931   7.7910 -39.48526 24.32211 
1 1 1  -66   12   13 o  103.600   7.7492  4443.98  647.137  3482.93  1675.65  4612.46  701.568   85.574   23.430  105.418   8.2625 -19.84354 24.84385 
1 1 1  -66   12   14 o   89.409   8.4116  3338.46  603.479  4275.74  1774.05  3215.80  641.751   93.887   23.365   87.510   9.1679 6.376961 25.09907 
1 1 1  -66   12   15 o  127.120   8.5987  6754.99  882.311  4766.34  2145.09  7159.95  967.985   95.361   26.664  130.630   9.1846 -35.26829 28.20143 
1 1 1  -66   12   16 o  164.723   9.6059 11473.35  1279.22 10436.65  2829.71 11739.64  1434.13  141.514   25.568  165.837   10.708 -24.32339 27.71928 
1 1 1  -66   12   17 o  138.507   9.4623  8179.02  1057.79  7488.55  2702.49  8303.94  1149.51  110.986   29.487  138.990   10.258 -28.00361 31.22075 
1 1 1  -66   12   18 o   66.811   11.504  2008.35  601.579 -122.2041  1928.49  2238.02  633.174   46.830   21.635   70.645   11.429 -23.81419 24.46783 
1 1 1  -66   12   19 o   36.699   12.929  594.433  478.836  2213.26  2001.63  496.168  493.155   58.753   24.709   34.870   12.997 23.88309 27.91837 
1 1 1  -66   12   20 o   49.381   13.772  1243.89  572.993  149.245  2211.20  1322.68  593.257   44.424   21.303   50.809   13.953 -6.385349 25.46605 
1 1 1  -66   12   21 o   18.174   8.4501 -193.6432  301.368 -7364.6328  2254.89 -63.2207  304.096   27.773   14.272   20.036   8.9935 7.736923 16.86885 
1 1 1  -66   14    1 o  340.653   33.337 51108.87  9102.72   0.0000   0.0000 51108.87  9102.72  ?   ?   340.653   33.337 0.000000 33.33675 
1 1 1  -66   14    2 o  164.452   32.821 12153.96  4228.98   0.0000   0.0000 12153.96  4228.98  ?   ?   164.452   32.821 0.000000 32.82078 
1 1 1  -66   14    3 o  333.755   35.047 49734.52  9355.95   0.0000   0.0000 49734.52  9355.95  ?   ?   333.755   35.047 0.000000 35.04732 
1 1 1  -66   14    4 o  175.457   35.533 14126.89  4888.62   0.0000   0.0000 14126.89  4888.62  ?   ?   175.457   35.533 0.000000 35.53287 
1 1 1  -66   14    5 o   79.670   33.994  667.949  3881.69   0.0000   0.0000  667.949  3881.69  ?   ?    79.670   33.994 0.000000 33.99367 
1 1 1  -66   14    6 o  399.476   22.880 68287.63  7390.45 49026.68  9501.21 97793.48 11759.65  325.634   36.567  468.411   31.096 -142.7769 48.00074 
1 1 1  -66   14    7 o  163.566   20.080 11491.58  2610.76 11491.58  2610.76   0.0000   0.0000  163.566   20.080  ?   ?  0.000000 20.07959 
1 1 1  -66   14    8 o  183.312   13.689 14040.06  2022.79  6994.18  3377.91 17979.29  2525.72  120.755   33.350  206.933   15.137 -86.17813 36.62457 
1 1 1  -66   14    9 o   41.183   9.8956  726.071  326.781  256.430  1207.67  763.174  339.444   46.010   19.262   42.213   10.048 3.796707 21.72546 
1 1 1  -66   14   10 o   64.085   7.2412  1703.01  370.187  2712.94  1367.31  1623.12  384.549   77.514   21.140   62.448   7.7505 15.06582 22.51630 
1 1 1  -66   14   11 f  188.982   9.6659 14802.58  1478.24 13616.02  3210.81 15121.73  1665.22  172.934   23.473  190.529   10.808 -17.59474 25.84182 
1 1 1  -66   14   12 o   78.058   7.7390  2531.29  484.041  5124.52  1698.72  2302.13  504.975  105.974   20.483   74.220   8.5347 31.75420 22.18981 
1 1 1  -66   14   13 o   77.845   8.0682  2528.75  502.561  1300.42  1649.05  2654.51  527.662   59.827   23.400   79.722   8.2719 -19.89478 24.81911 
1 1 1  -66   14   14 o  253.342   16.430 28394.18  3361.59 25869.27  5295.08 30098.86  4350.83  221.802   30.185  253.953   21.297 -32.15059 36.94194 
1 1 1  -66   14   15 o  137.428   12.283  8163.92  1356.15  6222.63  2781.41  8769.36  1553.29  103.456   30.811  141.444   13.696 -37.98791 33.71815 
1 1 1  -66   14   16 o  121.839   12.600  6525.88  1228.45  3173.19  2559.12  7529.76  1400.34   74.311   29.127  130.289   13.429 -55.97802 32.07367 
1 1 1  -66   14   17 o  160.700   13.541 11653.42  1750.35 11744.04  3292.62 11617.72  2066.53  136.553   30.470  156.801   16.478 -20.24875 34.63997 
1 1 1  -66   14   18 o   31.300   13.497  102.170  624.016  1376.23  2428.67   12.115  645.694   56.015   25.255   30.680   13.471 25.33463 28.62342 
1 1 1  -66   14   19 o   31.695   13.708  155.811  647.523  1400.19  2333.96   52.044  673.981   51.993   23.942   30.987   13.678 21.00581 27.57346 
1 1 1  -66   14   20 o   98.906   15.074  5149.48  1172.28  2498.06  3096.30  5593.14  1266.56   50.853   24.592  102.009   15.803 -51.15648 29.23140 
1 1 1  -66   16    1 o  100.334   33.560  4395.56  3214.54   0.0000   0.0000  4395.56  3214.54  ?   ?   100.334   33.560 0.000000 33.56031 
1 1 1  -66   16    2 o   69.447   29.469  484.190  2888.52   0.0000   0.0000  484.190  2888.52  ?   ?    69.447   29.469 0.000000 29.46882 
1 1 1  -66   16    3 o   84.415   34.019  1995.59  3587.17   0.0000   0.0000  1995.59  3587.17  ?   ?    84.415   34.019 0.000000 34.01908 
1 1 1  -66   16    4 o  275.332   36.248 35225.43  7906.62   0.0000   0.0000 35225.43  7906.62  ?   ?   275.332   36.248 0.000000 36.24799 
1 1 1  -66   16    5 o  372.333   41.786 67474.91 12414.88   0.0000   0.0000 67474.91 12414.88  ?   ?   372.333   41.786 0.000000 41.78640 
1 1 1  -66   16    6 o  101.428   25.468  4669.53  2094.39  2978.38  2280.85 13762.72  5288.89   83.230   28.267  166.181   39.734 -82.95021 48.76287 
1 1 1  -66   16    7 o  110.580   10.211  5075.47  906.459  2772.70  1996.44  5673.46  1017.37   79.723   26.441  116.806   10.851 -37.08244 28.58083 
1 1 1  -66   16    8 f   96.229   10.052  3856.62  773.819  2146.93  1896.75  4198.01  847.562   72.261   25.702  100.312   10.565 -28.05055 27.78882 
1 1 1  -66   16    9 f  133.961   11.048  7485.84  1191.01  6725.82  2386.14  7738.01  1374.47  120.545   25.190  135.671   12.622 -15.12643 28.17537 
1 1 1  -66   16   10 o   70.303   10.261  2088.13  568.473  3413.17  1520.73  1872.90  612.907   86.180   21.736   66.087   11.858 20.09349 24.75957 
1 1 1  -66   16   11 o  120.495   11.210  6109.51  1084.19  6753.06  2302.62  5926.19  1228.94  119.518   24.549  117.930   13.053 1.587837 27.80353 
1 1 1  -66   16   12 o   59.359   13.286  1550.55  624.360  2751.49  1780.89  1382.26  666.675   76.009   24.961   55.792   14.561 20.21658 28.89819 
1 1 1  -66   16   13 o   89.027   12.380  3423.37  870.711  1296.59  2123.15  3853.38  954.686   62.676   25.827   94.356   12.791 -31.67955 28.82087 
1 1 1  -66   16   14 o  174.893   13.557 13312.37  1910.19 13493.42  3475.49 13234.00  2286.51  160.679   27.636  171.546   16.624 -10.86725 32.25035 
1 1 1  -66   16   15 o   83.171   13.670  3097.01  891.070  3303.23  2196.71  3056.40  974.877   76.840   27.625   81.721   15.253 -4.880768 31.55604 
1 1 1  -66   16   16 o   25.273   11.053 -41.8068  430.829 -1427.8450  2060.73   21.544  440.565   43.519   20.787   26.448   11.373 17.07102 23.69468 
1 1 1  -66   16   17 o   29.754   12.331  181.756  487.880 -1409.1541  2352.48  253.257  498.723   44.855   21.628   31.110   12.633 13.74548 25.04717 
1 1 1  -66   16   18 o   65.300   16.787  2223.83  894.950  2395.15  2576.35  2200.32  954.381   58.934   26.335   64.053   17.741 -5.118519 31.75333 
1 1 1  -66   16   19 o   55.680   17.474  1782.70  879.565  1188.71  2766.38  1849.50  927.706   49.245   23.671   56.177   17.983 -6.932091 29.72706 
1 1 1  -66   16   20 o   36.935   14.604  684.673  648.576  3208.95  2960.00  557.368  664.730   49.563   23.986   35.193   14.471 14.36950 28.01342 
1 1 1  -66   18    1 f  104.443   35.433  4954.27  3583.82   0.0000   0.0000  4954.27  3583.82  ?   ?   104.443   35.433 0.000000 35.43312 
1 1 1  -66   18    2 o  167.778   36.570 13517.17  4841.31   0.0000   0.0000 13517.17  4841.31  ?   ?   167.778   36.570 0.000000 36.57000 
1 1 1  -66   18    3 o   91.571   34.451  3351.60  3480.92   0.0000   0.0000  3351.60  3480.92  ?   ?    91.571   34.451 0.000000 34.45150 
1 1 1  -66   18    6 o  184.980   14.214 14379.99  2118.62  8947.27  4377.67 16041.61  2421.03  132.109   38.471  194.855   15.428 -62.74602 41.44977 
1 1 1  -66   18    7 o  127.225   12.208  6786.40  1245.64  1180.18  2734.32  8254.56  1399.27   70.242   29.159  140.349   12.407 -70.10711 31.68845 
1 1 1  -66   18    8 o  121.348   11.253  6162.75  1096.11  6488.77  2592.42  6091.77  1209.55  116.615   27.776  120.198   12.580 -3.582748 30.49163 
1 1 1  -66   18    9 o  131.275   12.101  7258.50  1275.32  5741.66  2736.50  7679.36  1441.43  107.399   30.147  134.532   13.373 -27.13303 32.97960 
1 1 1  -66   18   10 o   52.777   13.763  1222.77  595.911 -1551.0730  1801.44  1563.60  631.461   42.739   20.124   59.753   13.351 -17.01468 24.15021 
1 1 1  -66   18   11 o  167.286   9.5272 11666.79  1288.72  9765.95  3276.60 12014.65  1401.69  137.959   30.097  169.429   10.237 -31.47044 31.79053 
1 1 1  -66   18   12 o   25.057   10.055  133.848  311.968  1845.93  1716.05   75.331  317.254   65.111   24.249   24.040   9.9519 41.07113 26.21215 
1 1 1  -66   18   13 o  148.283   9.0967  9221.26  1089.97  9309.52  3079.58  9208.62  1165.40  130.826   29.673  147.825   9.7644 -16.99908 31.23831 
1 1 1  -66   18   14 o   68.796   9.9271  2037.00  538.481  709.319  2296.86  2114.21  553.919   57.644   25.356   70.074   10.021 -12.42953 27.26475 
1 1 1  -66   18   15 o   41.143   12.609  753.730  461.077  4922.39  2121.46  547.055  472.368   92.030   26.776   36.603   12.845 55.42683 29.69792 
1 1 1  -66   18   16 o   77.476   10.610  2647.46  649.930  2221.10  2966.59  2668.96  666.113   63.731   28.384   77.651   10.862 -13.92025 30.39164 
1 1 1  -66   18   17 o   52.071   17.311  1400.47  855.555  3774.63  2794.71  1154.97  898.703   67.677   28.859   48.229   17.621 19.44843 33.81359 
1 1 1  -66   18   18 o   30.567   13.740 -34.6494  712.630 -2414.0229  2616.03  156.068  740.639   40.282   20.067   32.950   14.449 7.332172 24.72778 
1 1 1  -66   18   19 o   30.218   13.806 -43.1356  755.710 -2264.7319  2891.56  119.733  782.921   39.110   19.707   32.053   14.406 7.057598 24.41093 
1 1 1  -66   20    5 o   7.5755   3.7047 -146.2705   75.842   0.0000   0.0000 -146.2705   75.842  ?   ?    7.5755   3.7047 0.000000 3.704723 
1 1 1  -66   20    6 o  230.703   18.037 22958.08  3351.84  6348.32  7058.80 27793.51  3808.61  112.137   46.725  253.454   18.637 -141.3163 50.30493 
1 1 1  -66   20    7 o  134.885   12.660  7674.69  1370.37  3436.10  3342.72  8530.95  1502.42   87.892   33.597  142.053   13.176 -54.16138 36.08800 
1 1 1  -66   20    8 o   94.794   13.205  3847.40  988.799   0.0000   0.0000  3847.40  988.799  ?   ?    94.794   13.205 0.000000 13.20521 
1 1 1  -66   20    9 o  116.786   13.228  5831.66  1232.19  1612.53  3010.65  6680.61  1350.48   72.467   30.380  124.945   13.528 -52.47809 33.25594 
1 1 1  -66   20   10 o  192.527   15.718 16135.49  2435.64 11635.50  4636.29 17850.82  2862.46  139.132   39.305  200.741   17.744 -61.60930 43.12505 
1 1 1  -66   20   11 o   81.947   10.304  2855.10  670.468 -1228.6591  2708.94  3121.58  691.998   53.960   25.171   85.799   10.128 -31.83940 27.13207 
1 1 1  -66   20   12 o   37.351   10.826  604.045  347.384  1394.13  2259.62  584.919  351.564   63.175   26.389   36.846   10.950 26.32832 28.57093 
1 1 1  -66   20   13 f  121.915   8.7229  6256.55  857.787  7421.50  3119.82  6161.28  892.172  109.237   32.654  120.756   9.1676 -11.51946 33.91674 
1 1 1  -66   20   14 o   98.288   8.9084  4108.23  703.223  4686.04  2701.19  4066.22  728.338   84.837   30.617   97.582   9.3051 -12.74541 31.99946 
1 1 1  -66   20   15 o   27.653   11.401  150.336  413.973 -2946.2000  2320.60  252.117  420.721   40.496   19.942   29.628   11.747 10.86782 23.14486 
1 1 1  -66   20   16 f   33.530   14.541  133.277  732.492 -267.6796  2612.47  167.488  763.101   49.251   23.492   34.414   14.883 14.83626 27.80923 
1 1 1  -66   20   17 o   43.673   16.910  927.056  854.463  1585.39  2829.25  860.983  896.317   53.129   25.078   42.984   17.114 10.14434 30.36094 
1 1 1  -66   20   18 o   43.868   17.391  1071.56  921.884  1337.61  3569.06  1052.54  954.267   48.242   23.933   43.649   17.562 4.592468 29.68499 
1 1 1  -66   22    3 o  246.393   45.414 33620.00  8750.81   0.0000   0.0000 33620.00  8750.81  ?   ?   246.393   45.414 0.000000 45.41354 
1 1 1  -66   22    4 o  231.833   42.817 29323.37  7762.93   0.0000   0.0000 29323.37  7762.93  ?   ?   231.833   42.817 0.000000 42.81670 
1 1 1  -66   22    5 o  131.222   12.233  7251.85  1288.37   0.0000   0.0000  7251.85  1288.37  ?   ?   131.222   12.233 0.000000 12.23295 
1 1 1  -66   22    6 o   38.930   12.462  625.171  445.553 -1046.3199  2874.00  666.332  451.005   58.322   26.749   39.941   12.509 18.38030 29.52916 
1 1 1  -66   22    7 o  108.642   13.056  5042.44  1128.63  1122.95  3489.38  5500.40  1192.74   73.039   31.705  113.468   13.192 -40.42905 34.34019 
1 1 1  -66   22    8 o   45.791   14.640  889.463  615.025   0.0000   0.0000  889.463  615.025  ?   ?    45.791   14.640 0.000000 14.64028 
1 1 1  -66   22    9 o  165.472   16.645 12086.78  2206.05  1720.12  4622.75 15143.84  2510.34   78.957   35.279  185.148   16.884 -106.1909 39.11141 
1 1 1  -66   22   10 o  116.272   14.726  5945.54  1359.10  234.014  3743.99  6812.41  1458.60   67.324   30.747  124.565   14.705 -57.24144 34.08264 
1 1 1  -66   22   11 o   85.851   34.181  4421.51  3575.72  4421.51  3575.72   0.0000   0.0000   85.851   34.181  ?   ?  0.000000 34.18119 
1 1 1  -66   22   12 o   58.067   9.3610  1452.30  426.347  3996.56  3019.33  1400.54  430.662   81.012   31.670   56.895   9.6683 24.11676 33.11247 
1 1 1  -66   22   13 o   60.295   9.7920  1582.06  462.949 -2790.6350  3242.47  1673.06  467.741   49.913   24.370   62.124   9.5808 -12.21116 26.18532 
1 1 1  -66   22   14 f   43.403   12.871  865.051  486.151  2223.82  3359.94  835.997  491.322   64.579   29.352   42.736   13.000 21.84345 32.10171 
1 1 1  -66   22   15 o   53.205   17.885  1466.84  912.979 -4075.2439  3211.39  1954.16  952.272   43.443   21.733   60.856   18.007 -17.41348 28.22314 
1 1 1  -66   22   16 o   24.433   11.806 -851.4729  710.148 -497.2643  3072.20 -871.4672  729.916   47.755   23.402   24.742   11.959 23.01329 26.28031 
1 1 1  -66   22   17 o   79.741   19.907  3936.95  1284.90 -14.0991  4254.83  4333.43  1347.83   47.275   23.832   83.630   20.098 -36.35534 31.17523 
1 1 1  -66   24    1 o   66.875   29.680   41.310  3215.42   0.0000   0.0000   41.310  3215.42  ?   ?    66.875   29.680 0.000000 29.68023 
1 1 1  -66   24    2 o  122.571   38.401  8276.25  4249.99   0.0000   0.0000  8276.25  4249.99  ?   ?   122.571   38.401 0.000000 38.40140 
1 1 1  -66   24    3 o   84.695   35.388  2621.51  4064.73   0.0000   0.0000  2621.51  4064.73  ?   ?    84.695   35.388 0.000000 35.38764 
1 1 1  -66   24    4 o   74.758   33.790  161.309  4379.26   0.0000   0.0000  161.309  4379.26  ?   ?    74.758   33.790 0.000000 33.79021 
1 1 1  -66   24    5 o  100.687   13.177  4348.75  1051.42   0.0000   0.0000  4348.75  1051.42  ?   ?   100.687   13.177 0.000000 13.17689 
1 1 1  -66   24    6 o  223.438   18.255 22117.50  3282.99   0.0000   0.0000 22117.50  3282.99  ?   ?   223.438   18.255 0.000000 18.25511 
1 1 1  -66   24    7 o  105.697   14.160  4860.94  1184.71  3917.50  4589.02  4928.31  1226.28   88.638   37.352  106.218   14.605 -17.57990 40.10541 
1 1 1  -66   24    8 o   39.525   14.454  576.505  604.912 -3258.5481  3397.79  702.036  614.732   53.524   25.854   41.923   14.657 11.60167 29.71977 
1 1 1  -66   24    9 o   50.424   16.299  1123.50  760.722 -379.4318  3763.55  1187.52  776.755   64.319   29.891   51.619   16.448 12.70051 34.11732 
1 1 1  -66   24   10 o   43.721   16.201  738.034  764.021  2148.56  3028.83  642.184  789.553   70.397   30.032   42.579   16.316 27.81736 34.17802 
1 1 1  -66   24   11 f   74.698   16.900  2641.16  1001.08 -256.2002  3954.76  2839.52  1034.78   62.417   29.520   77.513   16.916 -15.09597 34.02322 
1 1 1  -66   24   12 o   36.992   10.954  604.299  352.332  4713.39  3748.09  567.665  353.899   79.046   33.557   36.011   11.049 43.03467 35.32869 
1 1 1  -66   24   13 o   51.396   18.699  1278.03  1010.53  711.496  4103.14  1314.61  1042.64   60.284   28.938   51.969   18.981 8.315525 34.60748 
1 1 1  -66   24   14 o   42.309   17.033  712.022  898.341  3138.09  3746.35  564.014  925.338   63.041   29.471   40.819   16.955 22.22199 34.00064 
1 1 1  -66   24   15 o  107.423   19.247  6417.54  1617.13  5285.92  5338.93  6531.85  1696.84   60.474   29.869  106.754   20.318 -46.27980 36.12417 
1 1 1  -66   24   16 o   47.734   18.695  1380.18  1053.59 -1988.1270  4457.24  1579.52  1084.32   45.108   22.920   50.051   19.134 -4.942585 29.85745 
1 1 1  -66   26    1 f   99.461   38.988  5471.86  4585.51   0.0000   0.0000  5471.86  4585.51  ?   ?    99.461   38.988 0.000000 38.98775 
1 1 1  -66   26    2 o   66.624   30.690 -754.6281  3839.73   0.0000   0.0000 -754.6281  3839.73  ?   ?    66.624   30.690 0.000000 30.68986 
1 1 1  -66   26    3 o   54.486   26.387 -3928.3740  3597.11   0.0000   0.0000 -3928.3740  3597.11  ?   ?    54.486   26.387 0.000000 26.38688 
1 1 1  -66   26    4 o   51.378   14.155  1167.96  609.358   0.0000   0.0000  1167.96  609.358  ?   ?    51.378   14.155 0.000000 14.15459 
1 1 1  -66   26    5 o  162.163   16.158 11591.07  2099.21   0.0000   0.0000 11591.07  2099.21  ?   ?   162.163   16.158 0.000000 16.15806 
1 1 1  -66   26    6 o  147.605   16.463  9703.17  1939.42   0.0000   0.0000  9703.17  1939.42  ?   ?   147.605   16.463 0.000000 16.46252 
1 1 1  -66   26    7 o  140.458   16.854  8899.02  1883.77   0.0000   0.0000  8899.02  1883.77  ?   ?   140.458   16.854 0.000000 16.85401 
1 1 1  -66   26    8 o   64.761   17.549  1975.75  945.798 -4568.2231  4957.50  2222.93  963.495   59.443   29.248   68.807   17.272 -9.364262 33.96719 
1 1 1  -66   26    9 o   79.969   18.505  3081.48  1177.76  1099.37  5512.49  3176.29  1205.60   71.996   34.281   81.097   18.692 -9.100594 39.04583 
1 1 1  -66   26   10 f   87.544   39.311  7778.98  5816.17  4369.74  6622.65 19275.37 12161.41   77.289   37.011   91.429   45.143 -14.14046 58.37585 
1 1 1  -66   26   11 f  106.448   18.244  5580.32  1520.16  443.389  5216.21  6057.10  1589.14   63.899   31.135  110.935   18.279 -47.03540 36.10378 
1 1 1  -66   26   12 o   42.239   17.619  568.831  1005.25 -2824.6560  3798.69  824.368  1042.41   49.907   24.747   45.386   18.322 4.520271 30.79147 
1 1 1  -66   26   13 o   40.035   17.402  387.855  1054.04 -2336.5559  5267.57  501.490  1075.80   52.738   26.577   41.301   17.766 11.43631 31.96819 
1 1 1  -66   26   14 o   91.341   21.463  5094.29  1564.86 11744.85  6162.88  4635.95  1617.88   67.107   32.937   84.051   23.026 -16.94372 40.18807 
1 1 1  -66   28    1 o   95.286   40.031  5753.27  5244.92   0.0000   0.0000  5753.27  5244.92  ?   ?    95.286   40.031 0.000000 40.03057 
1 1 1  -66   28    2 o   70.086   32.748 -318.2433  4615.54   0.0000   0.0000 -318.2433  4615.54  ?   ?    70.086   32.748 0.000000 32.74750 
1 1 1  -66   28    3 o   73.997   34.510  501.221  5087.51   0.0000   0.0000  501.221  5087.51  ?   ?    73.997   34.510 0.000000 34.50972 
1 1 1  -66   28    4 o   52.650   16.060  1251.22  749.072   0.0000   0.0000  1251.22  749.072  ?   ?    52.650   16.060 0.000000 16.05996 
1 1 1  -66   28    5 o   87.613   17.162  3554.51  1177.22   0.0000   0.0000  3554.51  1177.22  ?   ?    87.613   17.162 0.000000 17.16215 
1 1 1  -66   28    6 f   92.949   18.528  4103.31  1349.30   0.0000   0.0000  4103.31  1349.30  ?   ?    92.949   18.528 0.000000 18.52845 
1 1 1  -66   28    7 o   83.985   19.221  3448.14  1282.39   0.0000   0.0000  3448.14  1282.39  ?   ?    83.985   19.221 0.000000 19.22084 
1 1 1  -66   28    8 o   38.519   16.064  330.378  835.344 -7948.8379  6744.32  459.368  841.826   58.797   29.685   40.164   16.373 18.63290 33.90083 
1 1 1  -66   28    9 o   23.960   11.659 -1109.8280  724.458  2155.93  5727.94 -1162.9180  730.323   68.379   33.159   23.810   11.612 44.56931 35.13310 
1 1 1  -66   28   10 o   50.102   19.120  1182.22  1081.53  4395.95  6714.80  1096.62  1095.84   68.754   33.870   49.121   19.113 19.63308 38.89109 
1 1 1  -66   28   11 o   48.850   19.317  1147.84  1134.81 -11173.2900  7285.20  1454.24  1148.84   50.964   26.161   52.509   19.785 -1.545151 32.79974 
1 1 1  -66   28   12 o   32.676   15.411 -556.9566  1064.36 11166.20  7436.69 -802.1174  1075.43   65.789   32.935   31.448   15.020 34.34125 36.19856 
1 1 1  -66   30    1 o   70.804   33.584  646.979  5190.86   0.0000   0.0000  646.979  5190.86  ?   ?    70.804   33.584 0.000000 33.58358 
1 1 1  -66   30    2 o  113.299   10.899  5525.67  990.260   0.0000   0.0000  5525.67  990.260  ?   ?   113.299   10.899 0.000000 10.89875 
1 1 1  -66   30    3 o   94.904   18.098  4291.05  1343.69   0.0000   0.0000  4291.05  1343.69  ?   ?    94.904   18.098 0.000000 18.09761 
1 1 1  -66   30    4 o   16.668   8.3228 -1181.9960  461.088   0.0000   0.0000 -1181.9960  461.088  ?   ?    16.668   8.3228 0.000000 8.322843 
1 1 1  -66   30    5 o   99.577   19.264  4891.38  1501.27   0.0000   0.0000  4891.38  1501.27  ?   ?    99.577   19.264 0.000000 19.26440 
1 1 1  -66   30    6 o   56.897   19.784  1610.38  1119.22   0.0000   0.0000  1610.38  1119.22  ?   ?    56.897   19.784 0.000000 19.78350 
1 1 1  -66   30    7 o   48.365   18.998  998.933  1090.90   0.0000   0.0000  998.933  1090.90  ?   ?    48.365   18.998 0.000000 18.99842 
1 1 1  -66   30    8 o   60.603   20.504  2007.28  1200.06 -869.6721 10385.27  2046.21  1208.15   63.657   32.572   61.095   20.574 2.561848 38.52521 
1 1 1  -66   30    9 o   83.120   23.277  4205.81  1633.39 10892.09 10545.91  4041.47  1653.34   66.822   34.075   80.692   23.684 -13.87022 41.49772 
1 1 1  -66   30   10 o   28.637   13.851 -1065.7030  983.427  4964.64  8489.11 -1147.7321  990.093   59.535   30.378   28.345   13.754 31.19007 33.34719 
1 1 1  -66   32    1 o   57.804   28.833 -3544.9170  5472.98   0.0000   0.0000 -3544.9170  5472.98  ?   ?    57.804   28.833 0.000000 28.83277 
1 1 1  -66   32    2 o   82.633   39.322 10346.65  7230.71   0.0000   0.0000 10346.65  7230.71  ?   ?    82.633   39.322 0.000000 39.32250 
1 1 1  -66   32    3 o   72.247   35.871  5942.46  8081.62   0.0000   0.0000  5942.46  8081.62  ?   ?    72.247   35.871 0.000000 35.87098 
1 1 1  -66   32    4 f   55.798   28.324 -6395.4502  6688.42   0.0000   0.0000 -6395.4502  6688.42  ?   ?    55.798   28.324 0.000000 28.32410 
1 1 1  -66   32    5 o   64.723   32.474  2875.28  7424.27   0.0000   0.0000  2875.28  7424.27  ?   ?    64.723   32.474 0.000000 32.47352 
1 1 1  -66   32    6 o   50.354   25.784 -9786.0635  6627.69   0.0000   0.0000 -9786.0635  6627.69  ?   ?    50.354   25.784 0.000000 25.78409 
1 1 1  -65    1    1 o  203.026   15.769 16970.37  2579.11 17660.05  3636.03 16271.98  3658.91  205.792   22.107  197.150   23.308 8.641327 32.12405 
1 1 1  -65    1    2 o  416.141   23.543 71842.88  7922.54 72819.32 11186.72 70860.34 11221.70  414.481   33.527  408.518   34.144 5.962769 47.85238 
1 1 1  -65    1    3 f  259.056   17.822 27677.84  3725.89 31335.83  4386.80 18206.74  7058.73  275.244   19.760  201.412   44.361 73.83182 48.56295 
1 1 1  -65    1    4 o  318.168   17.667 41701.69  4546.12   0.0000   0.0000 41701.69  4546.12  ?   ?   318.168   17.667 0.000000 17.66680 
1 1 1  -65    1    5 o  432.848   21.411 77459.16  7524.96 78016.26 10668.42 76907.57 10615.58  429.310   30.810  426.193   30.886 3.116699 43.62524 
1 1 1  -65    1    6 o  268.969   14.132 29703.90  3075.51 28876.62  4385.84 30504.26  4313.91  263.509   20.664  271.154   19.729 -7.645782 28.56979 
1 1 1  -65    1    7 o  152.178   9.6528  9480.96  1186.56 10015.37  1708.99  8983.58  1648.73  155.795   13.647  147.435   13.938 8.359268 19.50665 
1 1 1  -65    1    8 o  186.228   11.059 14221.10  1664.76 13931.75  2373.42 14501.32  2335.69  183.298   16.111  187.174   15.508 -3.876175 22.36188 
1 1 1  -65    1    9 o  203.346   11.863 16990.22  1950.19 18431.80  2788.80 15610.64  2728.17  210.705   16.431  193.496   17.556 17.20950 24.04499 
1 1 1  -65    1   10 o  171.152   10.966 12047.50  1515.92 13707.40  2187.43 10513.65  2102.74  181.645   14.964  158.489   16.585 23.15549 22.33842 
1 1 1  -65    1   11 o  179.307   11.548 13270.14  1672.37 12419.43  2383.38 14095.24  2347.22  171.680   17.335  183.504   15.911 -11.82381 23.52987 
1 1 1  -65    1   12 o  245.918   14.108 25226.37  2805.29 24649.29  3991.05 25789.89  3943.94  239.429   20.734  245.431   19.964 -6.001984 28.78274 
1 1 1  -65    1   13 o   76.169   13.077  2480.96  779.643  3138.89  1144.93  1912.12  1064.61   84.604   17.252   65.913   18.908 18.69127 25.59550 
1 1 1  -65    1   14 o   29.173   12.787 -110.2458  579.635 -573.2150  788.346  434.551  855.181   30.010   13.853   41.863   16.701 -11.85351 21.69844 
1 1 1  -65    1   15 o   88.614   13.515  3391.54  941.670  2362.28  1376.49  4297.00  1291.06   71.554   21.758   98.539   16.735 -26.98536 27.44932 
1 1 1  -65    1   16 o   24.149   11.647 -995.5246  683.356 -2071.2690  960.998  104.805  971.917   25.379   12.560   39.574   16.951 -14.19573 21.09700 
1 1 1  -65    1   17 o   29.232   13.215 -281.2900  670.164 -866.3339  1045.60  126.613  873.072   32.928   15.450   37.688   16.102 -4.759907 22.31545 
1 1 1  -65    1   18 o   47.375   17.555  918.119  897.057  598.607  1253.45  1253.58  1284.37   47.259   19.690   54.387   20.817 -7.128651 28.65408 
1 1 1  -65    1   19 o  150.378   13.771 10212.97  1662.83  8851.91  2303.40 11694.23  2402.96  129.592   22.719  153.301   19.765 -23.70810 30.11297 
1 1 1  -65    1   20 o  135.308   9.9924  8004.38  1090.05  6683.16  2403.45  8346.52  1223.07   99.372   28.379  137.074   11.084 -37.70232 30.46685 
1 1 1  -65    1   21 o   40.727   17.428  567.042  1025.57  2298.34  1732.80 -366.4062  1272.35   57.849   23.526   36.406   17.069 21.44279 29.06569 
1 1 1  -65    1   22 o   45.886   11.674  1043.08  435.984 -717.9376  1873.27  1143.94  448.295   37.788   18.465   48.164   11.601 -10.37571 21.80732 
1 1 1  -65    1   23 f   18.425   8.6733 -245.2826  334.241   0.0000   0.0000 -245.2826  334.241  ?   ?    18.425   8.6733 0.000000 8.673314 
1 1 1  -65    3    1 o  136.491   9.5623  7623.45  1053.07  7241.50  1163.35  9356.19  2477.87  132.853   10.880  149.310   21.021 -16.45764 23.66931 
1 1 1  -65    3    2 o  193.046   13.875 15307.33  2160.33 17955.46  2488.62  7209.35  4351.87  209.008   14.759  128.900   38.575 80.10809 41.30169 
1 1 1  -65    3    3 o  228.650   13.354 21433.14  2468.52 21687.07  2859.92 20691.19  4888.54  229.636   15.428  221.093   27.849 8.542786 31.83687 
1 1 1  -65    3    4 o  555.313   26.361 128509.00 11886.13 114792.70 16025.84 145280.00 17720.70  516.162   38.515  581.612   37.728 -65.45001 53.91489 
1 1 1  -65    3    5 o  154.974   9.1361  9817.35  1144.54 11642.38  1703.84  8316.67  1545.04  168.345   12.555  141.962   13.569 26.38251 18.48662 
1 1 1  -65    3    6 o  181.025   14.458 13509.90  2107.39   0.0000   0.0000 13509.90  2107.39  ?   ?   181.025   14.458 0.000000 14.45792 
1 1 1  -65    3    7 o  290.800   14.841 34787.29  3492.65 38374.38  5034.56 31459.26  4849.36  303.690   20.538  274.353   21.953 29.33759 30.06197 
1 1 1  -65    3    8 o  360.066   18.294 53733.68  5331.00 55890.29  7626.94 51673.56  7454.38  363.503   26.013  349.199   26.488 14.30386 37.12497 
1 1 1  -65    3    9 o  130.726   9.7111  7017.60  1023.42  5546.41  1554.91  8142.07  1359.39  114.598   17.245  140.465   12.035 -25.86733 21.02929 
1 1 1  -65    3   10 o  338.266   17.786 47713.45  4867.89 47430.54  6959.58 47984.44  6811.30  332.357   25.996  334.819   25.240 -2.462585 36.23346 
1 1 1  -65    3   11 o  504.242   26.141 110383.60 10666.17 116592.90 15161.26 104298.80 15008.38  501.533   37.502  470.930   39.618 30.60318 54.55245 
1 1 1  -65    3   12 o  302.746   16.433 38581.91  4024.40 39896.63  5781.35 37345.98  5605.44  302.147   23.757  292.218   23.832 9.929382 33.65055 
1 1 1  -65    3   13 o   22.202   10.654 -783.9814  554.969 -283.8373  825.101 -1197.1790  749.960   33.488   14.938   24.902   12.057 8.585747 19.19672 
1 1 1  -65    3   14 o  109.952   11.814  5097.00  1038.15  3959.34  1520.19  6091.23  1421.15   93.329   20.611  119.027   15.040 -25.69873 25.51526 
1 1 1  -65    3   15 o   99.214   11.820  4183.45  933.480  4300.56  1327.69  4068.97  1312.72   98.271   17.269   95.376   17.599 2.895325 24.65698 
1 1 1  -65    3   16 o   41.412   15.739  579.412  730.953 -2195.2080  1095.57  2805.36  981.290   27.605   13.615   79.068   15.837 -51.46311 20.88468 
1 1 1  -65    3   17 o  141.955   9.1079  8459.28  1044.26  8470.51  2178.34  8455.93  1189.90  133.488   20.773  141.198   10.453 -7.710220 23.25494 
1 1 1  -65    3   18 o  103.508   8.6157  4523.19  717.527  6326.41  1778.54  4172.64  784.175  114.157   19.912   98.782   9.9105 15.37573 22.24179 
1 1 1  -65    3   19 o  110.247   8.8473  5183.35  785.313  6232.94  1782.70  4930.62  874.764  110.457   20.636  106.663   10.226 3.794151 23.03025 
1 1 1  -65    3   20 o  148.503   10.760  9757.17  1288.67  7299.84  2713.33 10472.92  1464.37   98.882   30.635  152.469   11.923 -53.58690 32.87375 
1 1 1  -65    3   21 o   35.285   11.991  567.587  410.468  798.893  1767.44  554.400  422.006   46.860   21.294   35.047   12.150 11.81306 24.51664 
1 1 1  -65    3   22 o   33.903   11.813  546.736  399.180 -1045.2810  1565.93  657.378  412.818   34.213   16.753   36.509   12.019 -2.296410 20.61860 
1 1 1  -65    5    1 o   99.416   8.6431  4053.19  690.754  4016.03  738.711  4311.84  1948.89   98.876   9.3108  100.087   24.239 -1.210243 25.96558 
1 1 1  -65    5    2 o  245.849   14.440 24804.76  2869.83 25687.85  3351.60 22378.22  5555.77  249.773   16.621  229.149   30.626 20.62407 34.84560 
1 1 1  -65    5    3 o  117.302   9.9595  5646.90  939.630  5685.05  1025.58  5447.42  2344.81  117.581   10.865  112.235   26.206 5.346519 28.36880 
1 1 1  -65    5    4 o  494.934   25.991 102357.60 10408.43 100688.90 13952.69 104451.40 15629.03  484.850   35.692  491.010   39.537 -6.159790 53.26434 
1 1 1  -65    5    5 o   73.363   13.432  2269.61  770.643  2269.61  770.643   0.0000   0.0000   73.363   13.432  ?   ?  0.000000 13.43206 
1 1 1  -65    5    6 o  433.301   21.923 78091.01  7688.12 77006.16 11011.44 79122.85 10738.96  424.489   32.187  431.161   30.879 -6.672394 44.60445 
1 1 1  -65    5    7 o  257.647   19.174 27597.02  3982.42   0.0000   0.0000 27597.02  3982.42  ?   ?   257.647   19.174 0.000000 19.17360 
1 1 1  -65    5    8 o  381.595   19.315 60539.18  5965.17 62318.80  8579.49 58873.82  8299.53  382.431   27.820  371.742   27.695 10.68915 39.25509 
1 1 1  -65    5    9 o  173.331   10.900 12343.24  1526.18 12179.19  2326.14 12467.24  2022.31  170.735   17.006  173.424   14.494 -2.688370 22.34449 
1 1 1  -65    5   10 o   90.501   10.008  3392.78  723.140  5055.99  1223.89  2500.71  896.329  109.851   14.043   76.514   14.964 33.33715 20.52089 
1 1 1  -65    5   11 o  116.539   9.8369  5608.62  922.125  6099.82  1460.04  5282.66  1189.36  120.202   15.307  112.284   13.304 7.917656 20.28044 
1 1 1  -65    5   12 o   17.552   8.5272 -661.0767  383.529  827.241  783.624 -1129.8910  439.805   46.910   16.538   16.497   8.2198 30.41271 18.46804 
1 1 1  -65    5   13 o  190.515   12.118 15157.99  1864.77 15354.64  2774.62 14996.00  2518.33  188.427   18.369  187.156   16.749 1.271164 24.85836 
1 1 1  -65    5   14 o   59.076   15.040  1538.29  723.319  2528.53  1170.78  927.012  919.869   74.731   19.194   49.457   17.864 25.27358 26.22071 
1 1 1  -65    5   15 o   70.918   8.1609  2101.98  461.361  -7.7018  1287.50  2412.78  494.179   44.035   19.186   76.049   8.1289 -32.01440 20.83710 
1 1 1  -65    5   16 o   17.962   8.3389 -246.0634  291.677  2696.42  1161.65 -444.0556  301.330   76.043   18.897   16.176   7.7846 59.86775 20.43739 
1 1 1  -65    5   17 o   21.570   8.6710   96.278  232.420 -2825.3970  1222.52  205.838  236.738   27.546   13.722   24.579   9.0341 2.966761 16.42873 
1 1 1  -65    5   18 o   26.410   10.579  165.686  344.643 -56.8651  1390.54  180.252  355.743   43.312   19.351   26.991   10.770 16.32145 22.14651 
1 1 1  -65    5   19 o   12.412   6.2306 -791.5555  275.065 -1836.5330  1423.19 -751.0062  280.351   33.503   16.311   12.859   6.4311 20.64387 17.53273 
1 1 1  -65    5   20 o   62.564   9.7497  1736.07  479.145   32.930  1754.71  1873.30  498.074   44.846   20.689   65.042   9.7301 -20.19570 22.86324 
1 1 1  -65    5   21 o   65.576   9.8165  1948.08  506.612   68.516  1916.36  2089.31  525.300   43.491   20.563   67.953   9.8041 -24.46238 22.78032 
1 1 1  -65    5   22 o   25.557   10.272  210.430  326.118 -1898.3781  1917.33  273.256  330.940   34.189   17.056   26.973   10.501 7.216837 20.02922 
1 1 1  -65    7    3 o  113.150   11.752  5281.53  1063.94  5281.53  1063.94   0.0000   0.0000  113.150   11.752  ?   ?  0.000000 11.75178 
1 1 1  -65    7    4 o  289.057   16.127 34393.52  3769.96 28842.07  4662.39 44878.22  6407.42  263.014   22.035  327.639   24.258 -64.62500 32.77137 
1 1 1  -65    7    5 o  272.688   21.379 30984.80  4695.63 30984.80  4695.63   0.0000   0.0000  272.688   21.379  ?   ?  0.000000 21.37878 
1 1 1  -65    7    6 o  224.461   18.632 20938.75  3365.12 20938.75  3365.12   0.0000   0.0000  224.461   18.632  ?   ?  0.000000 18.63231 
1 1 1  -65    7    7 o  303.340   17.214 38081.28  4222.46 30003.71  6142.18 45319.30  5814.23  264.401   29.091  329.133   21.881 -64.73199 36.40168 
1 1 1  -65    7    8 o  143.846   9.7204  8488.57  1128.67  8237.80  1816.85  8646.17  1440.30  140.393   16.238  144.721   12.376 -4.328323 20.41636 
1 1 1  -65    7    9 o  208.021   11.358 17789.42  1911.10 21467.31  2882.97 14906.34  2552.52  227.339   15.715  188.920   16.816 38.41869 23.01562 
1 1 1  -65    7   10 o  301.044   16.431 37820.45  4001.09 35470.99  5832.34 39909.15  5499.16  286.225   25.358  305.836   22.298 -19.61102 33.76752 
1 1 1  -65    7   11 o  115.592   9.5825  5519.35  891.274  7303.94  1487.39  4519.60  1113.28  131.900   14.107  103.575   13.564 28.32480 19.56974 
1 1 1  -65    7   12 o   70.599   7.3923  2061.51  417.475  983.625  1238.71  2199.63  443.417   54.238   20.519   72.912   7.6016 -18.67413 21.88139 
1 1 1  -65    7   13 o  ?   ?  -2674.6509  460.085 -221.7191  901.186 -3539.3770  535.070   35.641   15.770  ?   ?  0.000000 15.77047 
1 1 1  -65    7   14 o   76.685   7.5194  2439.34  462.181 -282.8344  1295.04  2836.67  494.762   42.260   18.792   82.765   7.4418 -40.50450 20.21194 
1 1 1  -65    7   15 o   89.544   8.4226  3344.20  605.184  1256.77  1470.59  3769.79  664.017   58.018   22.259   95.034   8.7018 -37.01616 23.89917 
1 1 1  -65    7   16 o  162.639   9.2093 11065.91  1211.17 10232.42  2501.23 11321.21  1384.29  147.203   21.566  163.814   10.462 -16.61090 23.96980 
1 1 1  -65    7   17 o   58.915   9.8569  1498.07  454.866  1047.60  1426.46  1549.06  479.920   53.791   21.532   59.795   10.254 -6.004204 23.84846 
1 1 1  -65    7   18 o   21.775   9.2530   23.381  285.466 -908.4095  1409.87   63.214  291.504   38.126   17.905   22.753   9.4892 15.37305 20.26402 
1 1 1  -65    7   19 o   96.645   9.2070  4023.20  713.760  4167.69  1716.74  3993.00  784.806   85.224   23.862   95.624   10.269 -10.39981 25.97776 
1 1 1  -65    7   20 o   82.727   9.3139  3004.39  614.742 -333.9082  1954.06  3371.07  647.625   44.158   20.843   87.732   9.2298 -43.57385 22.79514 
1 1 1  -65    7   21 o   57.926   11.792  1607.18  535.765 -1897.0640  1961.95  1889.56  556.933   36.411   18.007   63.361   11.237 -26.94958 21.22530 
1 1 1  -65    7   22 o   20.049   9.1850 -138.6474  337.565 -89.1681  1645.43 -140.8214  344.901   37.462   18.070   20.247   9.2789 17.21528 20.31289 
1 1 1  -65    9    1 o  470.566   38.589 95776.88 14614.36   0.0000   0.0000 95776.88 14614.36  ?   ?   470.566   38.589 0.000000 38.58865 
1 1 1  -65    9    2 o  201.831   28.500 17390.25  4540.56   0.0000   0.0000 17390.25  4540.56  ?   ?   201.831   28.500 0.000000 28.49950 
1 1 1  -65    9    3 o  570.091   46.796 145078.20 21470.45   0.0000   0.0000 145078.20 21470.45  ?   ?   570.091   46.796 0.000000 46.79576 
1 1 1  -65    9    4 f  168.321   13.519 11671.35  1832.06  9702.81  2064.13 18978.52  3976.86  152.696   16.934  212.359   23.455 -59.66367 28.92912 
1 1 1  -65    9    5 o  174.077   13.837 12495.15  1939.66 10468.59  2152.03 21269.63  4477.95  158.586   16.976  224.179   25.028 -65.59349 30.24211 
1 1 1  -65    9    6 o  167.081   15.953 11590.89  2138.00 11590.89  2138.00   0.0000   0.0000  167.081   15.953  ?   ?  0.000000 15.95329 
1 1 1  -65    9    7 o  146.015   15.176  8869.12  1772.94  8869.12  1772.94   0.0000   0.0000  146.015   15.176  ?   ?  0.000000 15.17573 
1 1 1  -65    9    8 o  322.419   23.706 44115.45  6162.56   0.0000   0.0000 44115.45  6162.56  ?   ?   322.419   23.706 0.000000 23.70604 
1 1 1  -65    9    9 o  235.125   13.080 22845.71  2487.33 23188.98  3737.85 22572.89  3332.23  234.263   19.837  231.983   17.827 2.280228 26.67037 
1 1 1  -65    9   10 o  241.894   12.988 24252.01  2541.72 27606.04  3820.08 21587.65  3404.74  255.482   18.541  225.675   18.751 29.80762 26.36977 
1 1 1  -65    9   11 o  173.774   11.122 12509.94  1561.05 12984.28  2471.59 12195.16  2013.48  174.451   17.694  170.301   14.705 4.150604 23.00667 
1 1 1  -65    9   12 o  188.298   9.1950 14593.84  1405.84 15428.44  2759.91 14301.42  1633.66  189.155   18.194  185.594   10.888 3.560959 21.20341 
1 1 1  -65    9   13 o  100.219   7.6008  4146.89  613.903  5608.38  1593.95  3892.33  665.221  112.852   18.000   96.860   8.5459 15.99246 19.92557 
1 1 1  -65    9   14 o  217.663   10.633 19750.36  1879.30 17362.89  3592.39 20649.92  2205.10  193.858   23.288  221.273   12.322 -27.41498 26.34746 
1 1 1  -65    9   15 o   57.992   9.7993  1438.10  444.984  845.386  1339.97  1511.57  471.757   52.254   20.886   59.389   10.148 -7.134277 23.22028 
1 1 1  -65    9   16 o   32.038   10.907  406.974  339.566 -616.3485  1339.94  477.203  351.024   39.758   18.246   33.997   11.078 5.760647 21.34537 
1 1 1  -65    9   17 o   48.226   10.373  1021.51  394.113  822.207  1475.21  1036.82  408.979   51.741   21.443   48.508   10.673 3.232143 23.95251 
1 1 1  -65    9   18 o   91.264   9.0084  3556.43  658.846  3376.00  1852.43  3582.56  704.939   76.689   25.471   91.273   9.6588 -14.58327 27.24095 
1 1 1  -65    9   19 o   93.641   9.7294  3820.18  728.962  3986.29  2031.69  3795.64  780.961   78.117   26.678   92.795   10.553 -14.67732 28.68913 
1 1 1  -65    9   20 o   63.172   10.885  1825.44  538.186  3432.15  1997.84  1699.72  558.845   67.775   25.958   60.310   11.835 7.465183 28.52819 
1 1 1  -65    9   21 o  114.658   12.161  6317.74  1114.92  7742.65  2625.09  6004.14  1231.51   86.217   30.280  108.715   14.298 -22.49806 33.48606 
1 1 1  -65    9   22 o   83.425   12.804  3603.46  839.627  4979.69  2548.72  3435.92  889.267   56.339   25.590   79.378   14.324 -23.03876 29.32639 
1 1 1  -65   11    1 o  249.098   28.321 26410.05  5626.45   0.0000   0.0000 26410.05  5626.45  ?   ?   249.098   28.321 0.000000 28.32149 
1 1 1  -65   11    2 o   54.399   24.495 -1041.7100  2276.02   0.0000   0.0000 -1041.7100  2276.02  ?   ?    54.399   24.495 0.000000 24.49489 
1 1 1  -65   11    3 o  255.696   29.892 28029.36  6089.03   0.0000   0.0000 28029.36  6089.03  ?   ?   255.696   29.892 0.000000 29.89238 
1 1 1  -65   11    4 o  188.306   31.459 15482.24  4640.38   0.0000   0.0000 15482.24  4640.38  ?   ?   188.306   31.459 0.000000 31.45931 
1 1 1  -65   11    5 o  250.367   16.837 25971.45  3402.87 19828.91  4004.16 41941.58  6456.42  216.600   23.125  314.708   25.485 -98.10828 34.41316 
1 1 1  -65   11    6 f  225.943   20.028 21408.13  3636.26 21408.13  3636.26   0.0000   0.0000  225.943   20.028  ?   ?  0.000000 20.02817 
1 1 1  -65   11    7 o  268.922   22.439 30627.15  4854.92 30627.15  4854.92   0.0000   0.0000  268.922   22.439  ?   ?  0.000000 22.43890 
1 1 1  -65   11    9 o  227.137   13.131 21388.95  2411.35 20606.70  3690.96 21971.46  3185.04  219.455   20.969  228.505   17.295 -9.049347 27.18073 
1 1 1  -65   11   10 o  327.178   14.511 44616.44  3854.85 37117.32  7021.98 47851.30  4611.93  284.617   30.880  337.318   16.839 -52.70059 35.17302 
1 1 1  -65   11   11 o  151.336   8.0836  9416.95  989.717 10179.59  2145.78  9210.86  1115.46  153.943   17.476  149.376   9.2421 4.566772 19.76975 
1 1 1  -65   11   12 o  225.207   10.312 20991.17  1885.64 22709.07  3662.45 20371.54  2199.56  227.627   20.019  220.645   12.327 6.982788 23.50993 
1 1 1  -65   11   13 o  116.463   7.9070  5606.08  743.294  3235.84  1735.24  6138.71  822.581   82.845   24.249  121.767   8.3706 -38.92142 25.65294 
1 1 1  -65   11   14 o  151.340   8.7309  9512.37  1068.33  8255.46  2298.50  9858.73  1206.58  133.338   21.997  153.671   9.7200 -20.33344 24.04908 
1 1 1  -65   11   15 o   85.598   8.4286  3067.75  578.216  4070.27  1575.33  2911.66  621.601   92.236   21.441   83.071   9.3798 9.164711 23.40331 
1 1 1  -65   11   16 o   76.189   9.1087  2461.37  552.319  2381.20  1817.05  2469.53  579.751   69.457   25.104   76.145   9.5896 -6.688431 26.87336 
1 1 1  -65   11   17 o   50.396   12.035  1140.36  485.694 -1163.0260  1579.96  1380.75  510.410   39.461   18.661   55.678   11.664 -16.21711 22.00655 
1 1 1  -65   11   18 o   36.377   12.431  560.367  441.126  1905.03  1709.97  464.500  456.580   60.710   23.805   34.500   12.566 26.20964 26.91859 
1 1 1  -65   11   19 o   80.244   10.280  2854.67  654.423  3129.19  2101.93  2825.20  688.650   67.642   26.429   79.372   10.979 -11.72987 28.61901 
1 1 1  -65   11   20 o   77.574   10.602  2747.07  650.286  2270.28  2263.80  2789.95  678.899   56.045   24.887   77.824   11.054 -21.77990 27.23184 
1 1 1  -65   11   21 o   35.253   13.129  588.032  503.011  757.286  2277.45  579.352  515.747   44.370   21.365   35.155   13.254 9.215454 25.14267 
1 1 1  -65   13    1 o  206.432   28.298 18356.03  4618.43   0.0000   0.0000 18356.03  4618.43  ?   ?   206.432   28.298 0.000000 28.29845 
1 1 1  -65   13    2 o  235.415   29.939 23960.78  5593.38   0.0000   0.0000 23960.78  5593.38  ?   ?   235.415   29.939 0.000000 29.93915 
1 1 1  -65   13    3 o   58.397   26.494 -1378.9540  2721.79   0.0000   0.0000 -1378.9540  2721.79  ?   ?    58.397   26.494 0.000000 26.49393 
1 1 1  -65   13    4 o  150.540   35.109 10272.25  4212.74   0.0000   0.0000 10272.25  4212.74  ?   ?   150.540   35.109 0.000000 35.10947 
1 1 1  -65   13    5 o  291.625   35.304 37936.96  8189.42   0.0000   0.0000 37936.96  8189.42  ?   ?   291.625   35.304 0.000000 35.30434 
1 1 1  -65   13    6 o  164.330   19.206 11421.71  2514.32 11421.71  2514.32   0.0000   0.0000  164.330   19.206  ?   ?  0.000000 19.20598 
1 1 1  -65   13    7 o  107.975   17.861  4987.86  1511.17  4987.86  1511.17   0.0000   0.0000  107.975   17.861  ?   ?  0.000000 17.86100 
1 1 1  -65   13    8 f  117.961   9.6789  5742.81  918.883  4460.88  1770.78  6215.19  1074.94  100.401   22.301  122.484   10.923 -22.08327 24.83281 
1 1 1  -65   13    9 o  ?   ?  -1177.3790  180.758 -437.4925  916.220 -1207.3430  184.382   34.323   15.490  ?   ?  0.000000 15.49014 
1 1 1  -65   13   10 o  125.777   7.5967  6500.83  772.182  6001.88  1996.39  6588.61  837.355  115.899   22.019  126.502   8.1962 -10.60307 23.49520 
1 1 1  -65   13   11 o  183.348   9.4134 13894.26  1396.67 12221.04  2971.51 14368.73  1582.35  165.041   22.781  186.054   10.517 -21.01352 25.09206 
1 1 1  -65   13   12 o  277.200   12.934 32269.74  2911.26 27071.40  5557.87 34235.36  3417.63  236.997   29.522  283.654   14.891 -46.65648 33.06485 
1 1 1  -65   13   13 o  144.577   8.4945  8663.03  992.797  8579.53  2314.67  8681.86  1099.02  136.743   21.561  144.396   9.4255 -7.653275 23.53161 
1 1 1  -65   13   14 o  122.579   11.280  6371.21  1110.10  4492.73  2136.70  7065.71  1299.20   94.069   26.721  128.471   12.617 -34.40241 29.55022 
1 1 1  -65   13   15 o   48.427   13.187  1043.08  532.542 -705.0407  1803.83  1210.00  557.387   45.846   21.088   52.076   13.173 -6.229874 24.86373 
1 1 1  -65   13   16 o   88.185   12.078  3399.64  842.128  2092.11  1997.02  3682.44  928.743   66.147   25.784   91.411   12.869 -25.26474 28.81745 
1 1 1  -65   13   17 o   78.648   12.366  2758.46  763.609  3009.43  2059.82  2718.47  822.194   72.285   26.636   77.380   13.581 -5.095261 29.89876 
1 1 1  -65   13   18 o   36.903   14.233  500.657  603.539  717.375  1900.99  476.364  636.468   51.271   22.785   36.954   14.513 14.31644 27.01434 
1 1 1  -65   13   19 o   27.085   12.125 -96.1242  548.738 -2840.5979  2022.61  121.932  570.121   36.107   17.931   30.180   12.956 5.927002 22.12171 
1 1 1  -65   13   20 o   49.800   15.619  1337.35  702.836 -1852.4800  2391.16  1639.00  735.317   39.398   19.553   55.117   15.682 -15.71932 25.06481 
1 1 1  -65   13   21 o   31.098   13.442  274.712  622.003 -1282.6180  2558.06  372.574  641.249   38.262   19.178   32.525   13.846 5.736336 23.65387 
1 1 1  -65   15    1 o  306.020   31.301 41024.31  7668.11   0.0000   0.0000 41024.31  7668.11  ?   ?   306.020   31.301 0.000000 31.30088 
1 1 1  -65   15    2 o   85.049   32.373  2451.32  3095.38   0.0000   0.0000  2451.32  3095.38  ?   ?    85.049   32.373 0.000000 32.37270 
1 1 1  -65   15    3 o  215.045   33.423 20736.47  5646.50   0.0000   0.0000 20736.47  5646.50  ?   ?   215.045   33.423 0.000000 33.42318 
1 1 1  -65   15    4 o  311.261   35.312 43756.61  8766.70   0.0000   0.0000 43756.61  8766.70  ?   ?   311.261   35.312 0.000000 35.31242 
1 1 1  -65   15    5 o  309.863   37.370 44284.50  9212.48   0.0000   0.0000 44284.50  9212.48  ?   ?   309.863   37.370 0.000000 37.36999 
1 1 1  -65   15    6 o  107.140   22.955  5073.45  1936.81  3187.48  2096.53 16055.08  5059.03   85.458   27.000  185.715   34.829 -100.2573 44.06832 
1 1 1  -65   15    7 o  124.217   10.079  6377.33  1007.81  5464.03  2020.52  6679.81  1162.78  110.839   23.195  126.838   11.413 -15.99832 25.85105 
1 1 1  -65   15    8 o   88.467   9.4008  3249.12  664.937  2866.12  1616.10  3327.17  729.550   80.166   23.383   89.356   10.240 -9.189507 25.52738 
1 1 1  -65   15    9 f   54.072   10.079  1242.47  426.244  305.555  1175.63  1384.27  457.364   45.955   19.102   57.115   10.238 -11.15964 21.67261 
1 1 1  -65   15   10 o   20.081   8.5060   10.508  239.977 -1677.9950  1311.07   69.039  244.101   34.420   16.479   21.518   8.7992 12.90223 18.68093 
1 1 1  -65   15   11 o  141.978   11.623  8456.88  1328.17  6633.02  2445.35  9220.06  1581.83  118.165   26.176  147.544   13.348 -29.37930 29.38321 
1 1 1  -65   15   12 o  183.574   13.355 14318.13  1977.00 11604.40  3342.54 15778.30  2451.85  154.545   27.652  190.977   15.958 -36.43182 31.92636 
1 1 1  -65   15   13 o  123.571   11.796  6487.58  1169.20  6818.43  2402.78  6384.94  1338.34  117.642   25.859  121.609   13.798 -3.966484 29.31023 
1 1 1  -65   15   14 o  112.610   12.229  5451.79  1100.16  2869.03  2265.03  6249.26  1258.60   75.987   27.942  120.161   13.113 -44.17403 30.86564 
1 1 1  -65   15   15 o   32.923   13.322  251.151  552.579 -1179.3320  1754.83  408.603  582.196   42.359   19.919   36.007   13.954 6.351421 24.32043 
1 1 1  -65   15   16 o  114.076   9.2332  5528.50  847.894  3406.88  2518.21  5799.78  900.472   75.959   29.131  116.655   9.5916 -40.69566 30.66920 
1 1 1  -65   15   17 f  125.872   9.8017  6830.78  993.870  7073.85  2842.03  6796.91  1060.85  101.227   31.352  124.986   10.552 -23.75855 33.08004 
1 1 1  -65   15   18 o   33.626   13.351  372.222  544.109  2326.26  2306.48  257.070  559.912   61.039   26.128   32.107   13.251 28.93184 29.29579 
1 1 1  -65   15   19 o   26.912   12.587 -405.5447  684.545  4847.73  2526.39 -821.7890  711.148   71.542   28.648   24.600   11.869 46.94190 31.00980 
1 1 1  -65   15   20 o   60.372   16.266  2066.01  815.322  2251.67  3018.31  2051.40  846.802   49.784   24.124   59.467   16.797 -9.682827 29.39622 
1 1 1  -65   17    1 o   71.764   29.778  927.071  2849.95   0.0000   0.0000  927.071  2849.95  ?   ?    71.764   29.778 0.000000 29.77798 
1 1 1  -65   17    2 o  202.937   33.215 18797.21  5283.75   0.0000   0.0000 18797.21  5283.75  ?   ?   202.937   33.215 0.000000 33.21522 
1 1 1  -65   17    3 o  278.496   35.566 35796.05  7858.81   0.0000   0.0000 35796.05  7858.81  ?   ?   278.496   35.566 0.000000 35.56575 
1 1 1  -65   17    6 o  122.497   11.018  6233.04  1084.19  2712.69  2486.39  7059.56  1204.77   81.460   29.378  130.297   11.506 -48.83688 31.55057 
1 1 1  -65   17    7 o   71.516   9.6646  2140.20  546.837  751.620  1487.24  2357.27  588.028   54.795   21.967   75.065   9.8883 -20.27031 24.09007 
1 1 1  -65   17    8 o   39.328   10.648  660.347  348.364  127.077  1693.74  683.902  355.974   51.958   22.319   39.998   10.736 11.95927 24.76710 
1 1 1  -65   17    9 o  114.507   10.615  5472.96  975.724  7461.27  2158.09  4962.09  1093.92  129.154   21.323  108.349   12.674 20.80537 24.80527 
1 1 1  -65   17   10 o   52.087   12.033  1176.89  498.655  2836.11  1698.32  1020.35  521.648   78.324   24.232   48.470   12.991 29.85444 27.49467 
1 1 1  -65   17   11 o  122.083   8.3823  6177.24  825.880  3707.96  2330.46  6531.89  883.201   86.958   28.554  125.449   8.7250 -38.49085 29.85744 
1 1 1  -65   17   12 o   58.259   10.124  1453.37  461.543 -553.9541  1728.66  1607.44  478.929   46.531   21.112   61.389   9.9486 -14.85797 23.33855 
1 1 1  -65   17   13 o  138.757   8.8218  8038.15  988.751  7878.22  2780.49  8061.31  1057.90  122.870   28.434  138.677   9.4514 -15.80721 29.96321 
1 1 1  -65   17   14 o  159.144   9.3999 10655.33  1209.27 13763.07  3106.27 10100.21  1312.83  166.942   23.572  154.236   10.546 12.70619 25.82340 
1 1 1  -65   17   15 o   71.922   10.133  2233.39  575.319  1173.04  2216.48  2309.99  595.738   59.486   25.542   73.084   10.327 -13.59714 27.55074 
1 1 1  -65   17   16 o   21.434   9.9448 -310.8029  414.006  1046.08  2419.35 -351.7351  420.204   57.812   25.697   21.208   9.8997 36.60464 27.53839 
1 1 1  -65   17   17 o   74.722   12.076  2538.57  707.701  2733.55  2926.25  2526.46  729.352   64.695   28.533   74.235   12.547 -9.539726 31.16962 
1 1 1  -65   17   18 o   43.341   16.197  890.244  766.900 -3395.6531  2746.53  1252.66  798.666   40.429   20.206   49.171   16.727 -8.742729 26.23090 
1 1 1  -65   17   19 o   48.640   16.770  1331.58  803.377  7816.20  2766.03  734.158  839.569   84.384   30.901   40.031   16.338 44.35351 34.95416 
1 1 1  -65   17   20 o   48.469   17.365  1520.86  867.268  1815.31  3044.11  1494.84  904.764   45.258   22.390   47.693   17.638 -2.434856 28.50325 
1 1 1  -65   19    5 o   11.820   5.4122 -82.7741  117.003   0.0000   0.0000 -82.7741  117.003  ?   ?    11.820   5.4122 0.000000 5.412204 
1 1 1  -65   19    6 o  152.102   12.807  9690.59  1566.98  3023.48  3737.42 11112.53  1726.01   88.721   35.065  162.809   13.169 -74.08747 37.45620 
1 1 1  -65   19    7 o   27.687   10.462  231.909  321.800 -687.2082  1202.75  302.776  333.976   38.072   17.403   29.654   10.756 8.418184 20.45860 
1 1 1  -65   19    8 o   95.915   12.728  3908.24  966.799   0.0000   0.0000  3908.24  966.799  ?   ?    95.915   12.728 0.000000 12.72837 
1 1 1  -65   19    9 o   54.054   14.420  1281.11  644.597  2185.21  2078.10  1184.86  678.041   72.204   26.726   52.154   15.127 20.04980 30.70997 
1 1 1  -65   19   10 o   57.421   14.501  1457.76  676.265 -288.5997  1903.10  1710.15  723.484   50.806   22.673   62.186   14.581 -11.37969 26.95722 
1 1 1  -65   19   11 f  142.467   29.450 10362.95  3294.17 10362.95  3294.17   0.0000   0.0000  142.467   29.450  ?   ?  0.000000 29.45016 
1 1 1  -65   19   12 o   58.725   9.9321  1479.34  456.699  562.102  2058.93  1526.80  468.367   56.774   24.499   59.652   10.026 -2.878254 26.47125 
1 1 1  -65   19   13 o   87.560   9.0756  3238.05  635.869  1577.96  2433.56  3359.70  658.754   65.189   27.321   89.146   9.2349 -23.95679 28.83921 
1 1 1  -65   19   14 o   75.303   9.3352  2421.96  558.552  3943.67  2518.29  2343.23  572.819   81.706   29.550   73.873   9.7911 7.833336 31.13028 
1 1 1  -65   19   15 o   49.005   12.405  1092.94  494.074 -943.6219  2262.67  1194.90  506.291   47.498   22.422   51.283   12.314 -3.785858 25.58098 
1 1 1  -65   19   16 o   17.486   8.5467 -706.6481  402.079  1471.95  2208.05 -781.3661  408.915   57.328   25.048   17.200   8.4506 40.12829 26.43483 
1 1 1  -65   19   17 o   52.167   17.684  1430.89  892.682  1462.56  2929.39  1427.64  937.260   55.607   26.017   51.984   18.102 3.623436 31.69497 
1 1 1  -65   19   18 o   63.491   17.241  2244.84  911.750  2509.41  3005.23  2218.02  956.848   54.605   25.797   62.261   17.945 -7.656040 31.42417 
1 1 1  -65   19   19 o   51.495   18.525  1748.93  988.000 -3448.4180  3287.15  2265.08  1035.90   38.419   19.538   58.365   19.031 -19.94580 27.27462 
1 1 1  -65   21    2 o   49.283   23.476 -2824.8040  2590.72   0.0000   0.0000 -2824.8040  2590.72  ?   ?    49.283   23.476 0.000000 23.47566 
1 1 1  -65   21    3 o   70.172   32.158 -1424.7140  4142.41   0.0000   0.0000 -1424.7140  4142.41  ?   ?    70.172   32.158 0.000000 32.15779 
1 1 1  -65   21    4 o  133.541   42.043  9669.00  5087.31   0.0000   0.0000  9669.00  5087.31  ?   ?   133.541   42.043 0.000000 42.04296 
1 1 1  -65   21    5 o  148.722   13.111  9307.12  1567.07   0.0000   0.0000  9307.12  1567.07  ?   ?   148.722   13.111 0.000000 13.11123 
1 1 1  -65   21    6 o   45.661   12.023  900.171  451.873  2174.65  2248.68  846.540  461.283   73.672   27.695   44.376   12.349 29.29575 30.32406 
1 1 1  -65   21    7 o  120.145   12.770  6113.69  1226.71  3290.69  3289.16  6569.79  1322.10   86.267   33.240  124.380   13.297 -38.11333 35.80082 
1 1 1  -65   21    8 o   76.183   13.754  2521.47  819.479   0.0000   0.0000  2521.47  819.479  ?   ?    76.183   13.754 0.000000 13.75387 
1 1 1  -65   21    9 o  204.056   17.214 18251.45  2825.55  9847.30  5358.90 21487.52  3325.35  123.476   43.269  219.977   18.798 -96.50056 47.17632 
1 1 1  -65   21   10 o  120.713   14.100  6316.07  1356.00  2786.58  3370.04  6997.88  1481.19   79.636   32.645  126.818   14.654 -47.18214 35.78308 
1 1 1  -65   21   11 o  134.008   34.890 10486.71  3833.62 10486.71  3833.62   0.0000   0.0000  134.008   34.890  ?   ?  0.000000 34.89035 
1 1 1  -65   21   12 o   68.860   8.5988  2006.23  470.297  3087.58  2719.39  1972.89  477.491   76.679   30.033   68.204   8.8295 8.475517 31.30433 
1 1 1  -65   21   13 o   90.600   8.5977  3468.83  624.910  4727.84  3050.88  3413.69  638.447   85.986   32.272   89.756   8.8767 -3.770706 33.47074 
1 1 1  -65   21   14 o   80.745   9.3260  2799.96  600.187  1881.90  2795.37  2844.32  614.519   64.368   28.152   81.314   9.4857 -16.94609 29.70678 
1 1 1  -65   21   15 o  105.734   9.4667  4834.28  804.142  4606.75  3227.51  4849.34  830.327   75.828   31.595  105.681   9.7875 -29.85303 33.07659 
1 1 1  -65   21   16 o   49.026   17.815  1214.66  916.836  3849.68  3302.01  994.543  954.362   65.958   29.619   46.109   17.866 19.84864 34.59005 
1 1 1  -65   21   17 o   43.838   17.392  947.246  922.733  1298.22  3748.52  924.607  952.028   52.266   25.660   43.669   17.551 8.596878 31.08826 
1 1 1  -65   21   18 o   31.738   14.540 -21.5369  845.900 -2080.5820  3356.63  118.097  874.112   41.199   20.817   33.241   15.054 7.958305 25.69021 
1 1 1  -65   23    1 o   76.430   31.532  1689.23  3169.45   0.0000   0.0000  1689.23  3169.45  ?   ?    76.430   31.532 0.000000 31.53230 
1 1 1  -65   23    2 o  180.878   40.894 17530.96  5864.99   0.0000   0.0000 17530.96  5864.99  ?   ?   180.878   40.894 0.000000 40.89394 
1 1 1  -65   23    3 o  124.740   39.494  8467.12  4484.12   0.0000   0.0000  8467.12  4484.12  ?   ?   124.740   39.494 0.000000 39.49434 
1 1 1  -65   23    4 f   79.521   35.187  839.250  4486.24   0.0000   0.0000  839.250  4486.24  ?   ?    79.521   35.187 0.000000 35.18671 
1 1 1  -65   23    5 o   62.609   11.734  1685.54  574.604   0.0000   0.0000  1685.54  574.604  ?   ?    62.609   11.734 0.000000 11.73412 
1 1 1  -65   23    6 o  128.947   13.505  7090.92  1393.00  5509.06  4706.55  7242.79  1458.34  101.357   39.563  130.091   14.028 -28.73354 41.97649 
1 1 1  -65   23    7 o   61.575   14.139  1673.17  691.999  3033.28  2777.02  1583.12  714.539   81.077   30.710   59.741   14.805 21.33679 34.09268 
1 1 1  -65   23    8 o  101.172   14.276  4453.83  1140.17  3419.32  3808.11  4555.70  1194.99   85.184   34.785  102.069   14.855 -16.88530 37.82421 
1 1 1  -65   23    9 o  117.346   14.882  6037.48  1386.12  2390.42  3786.55  6601.81  1489.50   77.999   33.435  122.518   15.307 -44.51916 36.77209 
1 1 1  -65   23   10 o   53.939   15.901  1314.84  743.790  1752.62  2558.25  1274.42  777.371   67.704   28.163   53.231   16.382 14.47301 32.58116 
1 1 1  -65   23   11 o  121.038   15.700  6597.93  1506.65  4892.67  4232.35  6845.39  1612.27   86.745   36.166  122.611   16.623 -35.86603 39.80305 
1 1 1  -65   23   12 o   22.789   9.5090   60.833  292.935  306.526  3143.37   58.680  294.216   60.300   27.773   22.789   9.5211 37.51102 29.35991 
1 1 1  -65   23   13 o   34.901   11.204  524.331  359.928  3522.85  3422.55  490.798  361.935   73.245   31.597   34.058   11.256 39.18670 33.54202 
1 1 1  -65   23   14 o   54.695   18.270  1511.17  952.705  5573.27  3354.16  1154.69  993.629   80.440   32.724   49.560   18.453 30.87938 37.56841 
1 1 1  -65   23   15 o   50.200   18.278  1298.81  965.804 -1554.8600  4029.68  1472.72  994.799   51.213   25.411   52.650   18.626 -1.437153 31.50608 
1 1 1  -65   23   16 o   25.840   12.414 -765.8927  758.557 -6958.3882  4063.75 -542.3340  772.128   41.074   20.964   27.559   13.037 13.51539 24.68704 
1 1 1  -65   23   17 o   32.670   15.017 -25.9544  912.706 -791.7503  4196.60   12.067  935.089   45.054   22.824   33.232   15.248 11.82196 27.44815 
1 1 1  -65   25    1 o  141.087   41.740 11558.85  5117.07   0.0000   0.0000 11558.85  5117.07  ?   ?   141.087   41.740 0.000000 41.73955 
1 1 1  -65   25    2 o   69.478   31.021  137.485  3567.13   0.0000   0.0000  137.485  3567.13  ?   ?    69.478   31.021 0.000000 31.02118 
1 1 1  -65   25    3 o   78.623   32.853  2106.49  3503.58   0.0000   0.0000  2106.49  3503.58  ?   ?    78.623   32.853 0.000000 32.85282 
1 1 1  -65   25    4 o   92.965   13.256  3718.20  972.265   0.0000   0.0000  3718.20  972.265  ?   ?    92.965   13.256 0.000000 13.25569 
1 1 1  -65   25    5 o   69.898   14.650  2159.92  804.845   0.0000   0.0000  2159.92  804.845  ?   ?    69.898   14.650 0.000000 14.64964 
1 1 1  -65   25    6 o  128.953   15.897  7303.01  1629.30   0.0000   0.0000  7303.01  1629.30  ?   ?   128.953   15.897 0.000000 15.89738 
1 1 1  -65   25    7 o   63.216   16.514  1818.23  856.962   0.0000   0.0000  1818.23  856.962  ?   ?    63.216   16.514 0.000000 16.51415 
1 1 1  -65   25    8 o   50.165   17.040  1081.12  828.888  4441.10  3899.68  922.135  848.271   87.839   35.445   47.786   17.168 40.05365 39.38382 
1 1 1  -65   25    9 o  106.527   16.949  5185.00  1416.92  3247.66  4845.96  5366.12  1481.67   80.749   36.098  108.030   17.489 -27.28046 40.11125 
1 1 1  -65   25   10 o   73.064   33.327  2111.49  4381.13  2111.49  4381.13   0.0000   0.0000   73.064   33.327  ?   ?  0.000000 33.32702 
1 1 1  -65   25   11 o   96.208   18.045  4443.58  1357.83  4794.85  4129.48  4401.00  1437.78   80.930   34.810   94.642   19.362 -13.71187 39.83253 
1 1 1  -65   25   12 o   41.977   16.693  621.643  851.829 -3599.5549  4235.87  799.546  869.594   52.909   26.218   44.529   17.109 8.380032 31.30612 
1 1 1  -65   25   13 o   26.700   12.745 -793.2426  772.177  2942.13  4276.73 -919.1171  785.080   65.213   30.798   26.200   12.598 39.01242 33.27463 
1 1 1  -65   25   14 o   96.687   20.090  5169.65  1525.71  1143.76  5370.15  5523.14  1591.29   57.454   28.642   99.688   20.348 -42.23397 35.13441 
1 1 1  -65   25   15 o   66.784   21.173  2862.64  1288.47  3260.09  5374.51  2838.41  1327.17   55.328   27.742   65.842   21.545 -10.51413 35.12527 
1 1 1  -65   27    1 o   87.199   35.311  3683.64  3885.01   0.0000   0.0000  3683.64  3885.01  ?   ?    87.199   35.311 0.000000 35.31103 
1 1 1  -65   27    2 o  116.231   41.583  8764.03  4971.60   0.0000   0.0000  8764.03  4971.60  ?   ?   116.231   41.583 0.000000 41.58274 
1 1 1  -65   27    3 o   63.843   29.414 -628.9593  3528.97   0.0000   0.0000 -628.9593  3528.97  ?   ?    63.843   29.414 0.000000 29.41362 
1 1 1  -65   27    4 o  100.264   15.942  4473.66  1254.44   0.0000   0.0000  4473.66  1254.44  ?   ?   100.264   15.942 0.000000 15.94247 
1 1 1  -65   27    5 o   44.356   16.334  743.204  774.423   0.0000   0.0000  743.204  774.423  ?   ?    44.356   16.334 0.000000 16.33409 
1 1 1  -65   27    6 o   82.683   17.787  3170.95  1158.71   0.0000   0.0000  3170.95  1158.71  ?   ?    82.683   17.787 0.000000 17.78701 
1 1 1  -65   27    7 o   76.656   18.278  2778.74  1121.63 -2612.9861  6107.32  2966.94  1141.04   68.742   33.537   79.363   18.107 -10.62148 38.11271 
1 1 1  -65   27    8 o   33.669   14.562   34.294  730.836  3311.47  5386.60 -27.1642  737.657   78.776   36.310   33.138   14.478 45.63839 39.09027 
1 1 1  -65   27    9 o   98.586   18.897  4711.66  1457.64 11064.70  5821.34  4286.69  1505.61  102.710   42.584   92.505   20.576 10.20472 47.29457 
1 1 1  -65   27   10 o   98.590   19.396  4852.75  1497.42 11684.75  6257.86  4437.81  1542.22   95.473   41.929   92.628   20.991 2.845955 46.88946 
1 1 1  -65   27   11 o   84.894   21.110  3883.81  1449.01  3954.23  6001.55  3879.46  1493.19   69.523   33.766   84.176   21.706 -14.65337 40.14076 
1 1 1  -65   27   12 o   68.096   21.706  2710.24  1352.74  4289.34  5340.01  2601.96  1398.36   65.680   31.888   66.238   22.135 -0.5582733 38.81743 
1 1 1  -65   27   13 o   53.299   19.948  1627.95  1164.06  2719.40  4653.25  1555.09  1202.28   57.993   28.495   52.341   20.115 5.651436 34.88003 
1 1 1  -65   27   14 o   78.868   22.890  4254.25  1552.02  1845.27  6808.25  4386.30  1593.99   52.220   26.692   79.546   23.229 -27.32585 35.38398 
1 1 1  -65   29    1 o   91.805   39.694  5508.66  5426.20   0.0000   0.0000  5508.66  5426.20  ?   ?    91.805   39.694 0.000000 39.69379 
1 1 1  -65   29    2 o   97.314   42.058  7299.10  6086.60   0.0000   0.0000  7299.10  6086.60  ?   ?    97.314   42.058 0.000000 42.05780 
1 1 1  -65   29    3 o  106.321   16.907  5160.33  1410.67   0.0000   0.0000  5160.33  1410.67  ?   ?   106.321   16.907 0.000000 16.90674 
1 1 1  -65   29    4 o   89.859   17.911  3781.60  1260.94   0.0000   0.0000  3781.60  1260.94  ?   ?    89.859   17.911 0.000000 17.91075 
1 1 1  -65   29    5 o   56.991   18.148  1522.62  945.742   0.0000   0.0000  1522.62  945.742  ?   ?    56.991   18.148 0.000000 18.14771 
1 1 1  -65   29    6 o  115.369   19.165  6401.94  1732.27   0.0000   0.0000  6401.94  1732.27  ?   ?   115.369   19.165 0.000000 19.16456 
1 1 1  -65   29    7 o   31.473   14.406 -374.3963  827.786   0.0000   0.0000 -374.3963  827.786  ?   ?    31.473   14.406 0.000000 14.40568 
1 1 1  -65   29    8 o   58.079   19.578  1693.92  1094.08 -6264.6660  8186.41  1838.65  1103.98   62.436   31.655   60.158   19.648 2.277966 37.25747 
1 1 1  -65   29    9 o  ?   ?  -15796.9805  3971.23 -21585.8301  4597.30  1221.21  7882.49  ?   ?    66.192   33.245 0.000000 33.24516 
1 1 1  -65   29   10 o   65.190   21.707  2461.93  1345.06 10958.42  7572.75  2185.15  1366.80   74.251   36.457   61.547   21.826 12.70404 42.49113 
1 1 1  -65   29   11 o   48.901   19.995  1183.67  1260.39  888.243  7058.59  1193.40  1280.97   57.707   29.273   49.062   20.121 8.645000 35.52103 
1 1 1  -65   29   12 o   53.926   20.884  1825.82  1303.43  5838.92  9003.42  1739.91  1317.30   56.606   29.058   52.943   20.851 3.662491 35.76551 
1 1 1  -65   31    1 o   47.185   23.741 -7827.3120  4111.98   0.0000   0.0000 -7827.3120  4111.98  ?   ?    47.185   23.741 0.000000 23.74062 
1 1 1  -65   31    2 o  104.972   19.038  5351.96  1562.94   0.0000   0.0000  5351.96  1562.94  ?   ?   104.972   19.038 0.000000 19.03823 
1 1 1  -65   31    3 o   45.833   17.498  836.532  906.095   0.0000   0.0000  836.532  906.095  ?   ?    45.833   17.498 0.000000 17.49848 
1 1 1  -65   31    4 o   54.758   19.228  1440.78  1058.53   0.0000   0.0000  1440.78  1058.53  ?   ?    54.758   19.228 0.000000 19.22834 
1 1 1  -65   31    5 o   46.825   18.430  874.360  1028.49   0.0000   0.0000  874.360  1028.49  ?   ?    46.825   18.430 0.000000 18.42995 
1 1 1  -65   31    6 f   47.049   18.165  951.463  983.887   0.0000   0.0000  951.463  983.887  ?   ?    47.049   18.165 0.000000 18.16543 
1 1 1  -65   31    7 o   90.710   22.125  4605.68  1614.98   0.0000   0.0000  4605.68  1614.98  ?   ?    90.710   22.125 0.000000 22.12451 
1 1 1  -65   31    8 o   60.510   30.600  860.922  7340.37  7443.79 10655.52 -5084.3892 10126.39   65.333   33.394   58.523   30.079 6.810452 44.94347 
1 1 1  -65   31    9 o   45.252   19.096  852.238  1202.18 -7863.1719 10610.21  965.580  1209.97   54.754   28.252   46.377   19.336 8.377174 34.23535 
1 1 1  -65   33    1 o   59.488   29.343 -540.6173  5094.49   0.0000   0.0000 -540.6173  5094.49  ?   ?    59.488   29.343 0.000000 29.34335 
1 1 1  -65   33    2 o   61.977   31.126 -470.8406  6903.28   0.0000   0.0000 -470.8406  6903.28  ?   ?    61.977   31.126 0.000000 31.12561 
1 1 1  -65   33    3 o   62.503   31.559  375.496  7632.40   0.0000   0.0000  375.496  7632.40  ?   ?    62.503   31.559 0.000000 31.55922 
1 1 1  -65   33    4 o   70.342   35.205  9896.21  8470.03   0.0000   0.0000  9896.21  8470.03  ?   ?    70.342   35.205 0.000000 35.20479 
1 1 1  -64    0    1 o  222.529   23.568 20958.91  4149.16   0.0000   0.0000 20958.91  4149.16  222.529   23.568  222.529   23.568 -0.000000 0.000000 
1 1 1  -64    0    2 o  714.750   54.283 221353.41 31085.34   0.0000   0.0000 221353.41 31085.34  714.750   54.283  714.750   54.283 -0.000000 0.000000 
1 1 1  -64    0    3 o  549.342   43.010 128613.00 18914.02   0.0000   0.0000 128613.00 18914.02  549.342   43.010  549.342   43.010 -0.000000 0.000000 
1 1 1  -64    0    5 o  231.117   17.768 22189.21  3288.93 22189.21  3288.93   0.0000   0.0000  231.117   17.768  231.117   17.768 0.000000 0.000000 
1 1 1  -64    0    6 o  174.438   14.789 12667.35  2060.06 12667.35  2060.06   0.0000   0.0000  174.438   14.789  174.438   14.789 0.000000 0.000000 
1 1 1  -64    0    7 o   79.553   13.570  2790.96  799.966   0.0000   0.0000  2790.96  799.966   79.553   13.570   79.553   13.570 -0.000000 0.000000 
1 1 1  -64    0    8 o   69.133   15.804  2226.40  772.862   0.0000   0.0000  2226.40  772.862   69.133   15.804   69.133   15.804 -0.000000 0.000000 
1 1 1  -64    0    9 o  209.309   17.438 18276.52  2916.33   0.0000   0.0000 18276.52  2916.33  209.309   17.438  209.309   17.438 -0.000000 0.000000 
1 1 1  -64    0   10 o  136.798   15.233  7920.13  1638.32   0.0000   0.0000  7920.13  1638.32  136.798   15.233  136.798   15.233 -0.000000 0.000000 
1 1 1  -64    0   11 o  331.516   25.247 46272.13  6705.45   0.0000   0.0000 46272.13  6705.45  331.516   25.247  331.516   25.247 -0.000000 0.000000 
1 1 1  -64    0   12 o   17.816   12.254 -417.6478  580.721   0.0000   0.0000 -417.6478  580.721   17.816   12.254   17.816   12.254 -0.000000 0.000000 
1 1 1  -64    0   13 o  132.333   15.708  7485.17  1625.13   0.0000   0.0000  7485.17  1625.13  132.333   15.708  132.333   15.708 -0.000000 0.000000 
1 1 1  -64    0   14 o  187.470   18.131 14932.69  2700.56 14932.69  2700.56   0.0000   0.0000  187.470   18.131  187.470   18.131 0.000000 0.000000 
1 1 1  -64    0   15 o  161.776   18.082 11246.11  2299.17   0.0000   0.0000 11246.11  2299.17  161.776   18.082  161.776   18.082 -0.000000 0.000000 
1 1 1  -64    0   16 o   57.844   25.481  2032.29  1255.05   0.0000   0.0000  2032.29  1255.05   57.844   25.481   57.844   25.481 -0.000000 0.000000 
1 1 1  -64    0   17 o  112.702   19.035  5728.36  1592.68   0.0000   0.0000  5728.36  1592.68  112.702   19.035  112.702   19.035 -0.000000 0.000000 
1 1 1  -64    0   18 o   52.272   24.239  1710.06  1138.35   0.0000   0.0000  1710.06  1138.35   52.272   24.239   52.272   24.239 -0.000000 0.000000 
1 1 1  -64    0   19 o   29.813   19.656 -138.9856  1221.02   0.0000   0.0000 -138.9856  1221.02   29.813   19.656   29.813   19.656 -0.000000 0.000000 
1 1 1  -64    0   20 o   55.519   27.860  2085.08  1541.38  2085.08  1541.38   0.0000   0.0000   55.519   27.860   55.519   27.860 0.000000 0.000000 
1 1 1  -64    0   21 o   35.509   14.950  748.364  434.281  649.780  449.468  2133.66  1684.88   32.384   15.215   54.741   28.716 -0.000000 0.000000 
1 1 1  -64    0   22 o   43.083   25.525  1231.91  1545.47   0.0000   0.0000  1231.91  1545.47   43.083   25.525   43.083   25.525 -0.000000 0.000000 
1 1 1  -64    2    1 o  444.580   24.286 81973.19  8733.76 76495.73 12305.08 87533.91 12398.26  424.063   36.080  455.047   33.797 -30.98438 49.43661 
1 1 1  -64    2    2 o  298.560   16.854 36637.84  4069.14 38285.13  4822.53 32566.19  7581.86  304.570   19.605  275.979   34.595 28.59097 39.76371 
1 1 1  -64    2    3 o  231.130   12.557 21868.21  2347.78 21180.95  2710.50 23932.88  4698.05  227.095   14.780  239.174   24.539 -12.07834 28.64655 
1 1 1  -64    2    4 o  388.318   21.488 62418.28  6748.93 63906.27  8834.94 60333.42 10457.84  390.321   28.064  376.063   34.638 14.25836 44.58013 
1 1 1  -64    2    5 o  365.771   26.282 56023.54  7753.62   0.0000   0.0000 56023.54  7753.62  ?   ?   365.771   26.282 0.000000 26.28226 
1 1 1  -64    2    6 o  431.093   21.507 76902.65  7528.33 75893.63 10708.08 77888.86 10586.31  422.731   31.421  428.755   30.610 -6.024017 43.86639 
1 1 1  -64    2    7 o  290.293   15.054 34655.58  3536.09 35605.20  5059.61 33748.87  4943.97  292.350   21.465  284.556   21.558 7.794006 30.42154 
1 1 1  -64    2    8 o  146.195   9.8375  8758.72  1160.98 10143.99  1729.96  7623.60  1565.99  156.735   13.732  135.570   14.449 21.16507 19.93327 
1 1 1  -64    2    9 o  164.115   10.574 11051.11  1401.49 11068.16  2039.46 11035.85  1929.15  163.246   15.575  163.201   14.716 0.4457092E-01 21.42808 
1 1 1  -64    2   10 o  358.015   18.672 53439.38  5409.06 51739.19  7700.99 55094.91  7599.17  346.968   27.562  359.010   26.251 -12.04181 38.06269 
1 1 1  -64    2   11 o  406.900   21.275 70040.97  7004.67 67312.76  9958.29 72712.73  9854.71  389.425   31.770  406.608   30.062 -17.18256 43.73891 
1 1 1  -64    2   12 o  145.688   10.649  8772.64  1250.95  8783.75  1818.66  8762.66  1723.42  144.280   15.781  144.391   14.915 -0.1118622 21.71407 
1 1 1  -64    2   13 o  131.897   11.260  7243.63  1194.33  6879.64  1742.82  7565.92  1639.95  126.350   17.454  133.408   15.424 -7.057594 23.29238 
1 1 1  -64    2   14 o  302.270   16.938 39173.55  4140.52 41274.16  5906.91 37144.38  5805.58  302.047   24.290  285.206   25.333 16.84094 35.09713 
1 1 1  -64    2   15 o  127.842   11.771  6896.89  1208.13  9397.28  1760.57  4671.61  1660.90  147.823   14.870  100.846   20.967 46.97697 25.70491 
1 1 1  -64    2   16 o  103.370   12.812  4595.87  1052.30  5379.93  1523.06  3879.75  1455.58  109.345   17.764   91.249   20.181 18.09628 26.88577 
1 1 1  -64    2   17 o   58.674   8.9761  1466.34  414.035  2035.05  1215.71  1391.72  440.360   65.535   20.540   56.856   9.8985 8.678997 22.80027 
1 1 1  -64    2   18 o   89.102   8.3182  3344.36  594.843  4113.51  1388.52  3171.48  658.310   92.549   19.110   86.253   9.5606 6.296463 21.36854 
1 1 1  -64    2   19 o   66.564   9.0272  1906.73  475.314  1148.13  1578.25  1982.40  498.456   53.978   22.258   67.778   9.3026 -13.80014 24.12396 
1 1 1  -64    2   20 o   42.390   11.644  824.951  413.094  2370.38  1328.58  659.554  434.638   64.940   21.571   38.313   12.314 26.62713 24.83821 
1 1 1  -64    2   21 o   62.088   10.607  1760.41  515.513  1672.52  1806.02  1768.21  537.891   53.484   23.013   61.907   11.109 -8.423649 25.55369 
1 1 1  -64    2   22 o   44.796   12.649  1015.21  480.290 -3230.3411  1564.00  1457.27  504.676   28.491   14.374   54.642   11.726 -26.15102 18.54989 
1 1 1  -64    2   23 o   36.683   12.631  717.135  455.711   0.0000   0.0000  717.135  455.711  ?   ?    36.683   12.631 0.000000 12.63122 
1 1 1  -64    4    1 o  410.059   20.690 69385.11  6866.59 70978.20  8238.15 65759.38 12428.18  413.362   24.657  390.851   39.713 22.51089 46.74500 
1 1 1  -64    4    2 o  450.616   19.959 83540.46  7302.78 80530.54  8777.67 90308.66 13162.48  440.254   24.654  460.821   35.450 -20.56665 43.17984 
1 1 1  -64    4    3 o  254.155   13.200 26454.42  2714.61 26347.35  3166.38 26751.41  5273.40  253.227   15.474  252.449   26.103 0.7783966 30.34518 
1 1 1  -64    4    4 o  374.267   19.905 57858.26  6027.12 54823.99  7841.27 62239.26  9422.06  361.749   26.888  383.912   30.476 -22.16278 40.64191 
1 1 1  -64    4    5 o  220.440   17.706 20096.45  3142.37 20096.45  3142.37   0.0000   0.0000  220.440   17.706  ?   ?  0.000000 17.70551 
1 1 1  -64    4    6 o  411.355   20.925 70154.25  6966.19 67750.94  9962.47 72453.55  9744.52  399.349   30.966  414.066   29.170 -14.71722 42.54160 
1 1 1  -64    4    7 o  275.063   14.306 31093.18  3184.16 32763.32  4621.76 29584.21  4393.09  280.643   20.422  266.602   20.450 14.04190 28.90098 
1 1 1  -64    4    8 o  485.749   24.038 98714.98  9481.07 102811.40 13519.41 94750.52 13299.80  487.257   34.392  466.874   35.346 20.38361 49.31683 
1 1 1  -64    4    9 o  244.711   13.460 24652.46  2664.11 25259.92  3895.38 24118.63  3651.66  245.815   19.682  240.451   18.855 5.364487 27.25560 
1 1 1  -64    4   10 o  125.128   9.9424  6441.96  1001.82  6650.97  1546.10  6290.69  1315.28  126.008   15.434  122.976   13.389 3.032562 20.43192 
1 1 1  -64    4   11 f  290.484   15.790 35142.20  3710.29 34496.00  5348.07 35741.82  5151.71  283.565   23.438  289.532   22.080 -5.966888 32.20040 
1 1 1  -64    4   12 o  252.570   14.194 26600.32  2899.17 27524.40  4203.52 25761.95  4003.86  253.299   20.617  245.215   20.291 8.084412 28.92756 
1 1 1  -64    4   13 o  125.862   10.738  6590.00  1086.89  7838.35  1636.10  5603.91  1454.12  135.849   15.087  114.244   16.124 21.60580 22.08197 
1 1 1  -64    4   14 o   61.655   13.915  1659.82  680.094   66.114  1092.36  2668.60  869.078   41.935   17.966   78.503   14.155 -36.56821 22.87266 
1 1 1  -64    4   15 o  135.336   8.7197  7598.37  953.095  6251.46  1950.44  8020.88  1092.40  116.666   21.378  138.693   9.7627 -22.02707 23.50122 
1 1 1  -64    4   16 o  153.551   9.0280  9828.12  1120.65  9755.10  2198.38  9853.76  1302.60  146.837   18.876  153.032   10.548 -6.195267 21.62273 
1 1 1  -64    4   17 o   91.895   8.5913  3545.73  633.606  2248.46  1590.59  3790.40  690.779   68.251   23.593   94.858   9.0795 -26.60753 25.27948 
1 1 1  -64    4   18 o   66.960   9.2751  1920.10  490.739  2882.68  1521.64  1808.36  518.441   74.636   22.912   64.596   10.225 10.04019 25.08973 
1 1 1  -64    4   19 o   80.885   8.9351  2801.92  577.021  3770.34  1714.05  2678.14  612.788   81.993   24.129   78.648   9.8091 3.345657 26.04678 
1 1 1  -64    4   20 o   83.610   9.3237  3043.80  622.198  4823.65  1622.89  2737.11  673.675   93.142   21.838   78.305   10.890 14.83680 24.40286 
1 1 1  -64    4   21 o   56.698   12.088  1526.28  539.520  648.576  1847.09  1608.15  564.121   46.798   21.456   58.063   12.346 -11.26539 24.75451 
1 1 1  -64    4   22 o   30.939   11.691  406.020  401.813  2100.82  1929.03  329.151  410.825   50.789   22.735   29.525   11.639 21.26403 25.54079 
1 1 1  -64    4   23 o   26.171   10.802  227.747  372.188  1766.17  2065.41  176.114  378.382   43.044   20.627   25.386   10.713 17.65800 23.24344 
1 1 1  -64    6    1 o  375.872   18.165 58001.36  5543.87 48451.54  7336.49 70713.11  8464.34  340.364   26.762  412.106   25.420 -71.74271 36.91048 
1 1 1  -64    6    2 o  221.107   13.661 20052.63  2440.63 21270.48  2841.22 16624.05  4767.21  227.426   15.478  196.982   30.816 30.44362 34.48440 
1 1 1  -64    6    3 o  142.581   10.642  8333.20  1223.16  7978.81  1329.36 10289.11  3123.05  139.333   11.863  155.435   25.639 -16.10220 28.25083 
1 1 1  -64    6    4 o  502.745   36.998 108530.00 14997.06 108530.00 14997.06   0.0000   0.0000  502.745   36.998  ?   ?  0.000000 36.99837 
1 1 1  -64    6    5 o  277.788   21.594 32112.53  4832.41 32112.53  4832.41   0.0000   0.0000  277.788   21.594  ?   ?  0.000000 21.59427 
1 1 1  -64    6    6 o  487.497   36.209 102609.20 14230.17 102609.20 14230.17   0.0000   0.0000  487.497   36.209  ?   ?  0.000000 36.20865 
1 1 1  -64    6    7 o  216.067   16.492 19315.88  2871.55   0.0000   0.0000 19315.88  2871.55  ?   ?   216.067   16.492 0.000000 16.49236 
1 1 1  -64    6    8 o  152.339   9.8073  9511.22  1206.66  9936.01  1894.15  9221.09  1565.40  154.707   15.278  149.445   13.031 5.261826 20.08063 
1 1 1  -64    6    9 o   81.609   9.3914  2754.82  610.962  4419.83  1082.90  1977.35  739.983  102.926   13.266   68.164   13.842 34.76204 19.17316 
1 1 1  -64    6   10 o  340.823   17.928 48492.17  4943.92 47901.32  7133.38 49038.34  6858.26  333.341   26.576  338.316   25.146 -4.975861 36.58709 
1 1 1  -64    6   11 o  188.140   11.849 14630.06  1800.92 13834.08  2719.23 15252.00  2403.64  180.507   18.830  190.878   15.646 -10.37030 24.48222 
1 1 1  -64    6   12 o   83.520   11.124  2925.46  735.587  3202.52  1220.28  2767.32  921.914   85.527   18.134   80.282   14.684 5.245209 23.33394 
1 1 1  -64    6   13 o   59.367   8.3235  1474.35  390.203  519.775  1099.57  1611.88  417.367   46.929   18.862   62.087   8.5025 -15.15783 20.68970 
1 1 1  -64    6   14 o  113.805   8.0391  5352.30  738.079  4774.28  1641.38  5498.79  826.336  102.757   20.392  115.132   8.9088 -12.37490 22.25333 
1 1 1  -64    6   15 o   93.169   7.8171  3601.15  585.902  4580.74  1478.19  3418.57  638.173  100.680   18.773   90.502   8.7955 10.17783 20.73102 
1 1 1  -64    6   16 o  166.855   9.4753 11642.30  1278.43  9318.36  2588.64 12391.95  1470.23  139.094   23.775  171.533   10.608 -32.43945 26.03391 
1 1 1  -64    6   17 f   91.797   8.3491  3535.40  615.508  3891.30  1619.88  3475.34  665.415   88.410   22.507   90.712   9.1596 -2.302162 24.29939 
1 1 1  -64    6   18 o   91.274   8.8531  3532.49  647.867  1622.88  1732.23  3843.05  698.565   60.266   23.855   95.095   9.1604 -34.82946 25.55332 
1 1 1  -64    6   19 o   76.793   9.4343  2548.52  575.891  2973.26  1739.54  2496.24  610.306   71.790   24.681   75.615   10.201 -3.824951 26.70569 
1 1 1  -64    6   20 o   33.206   11.608  463.569  385.572  2151.57  1681.02  369.832  396.133   60.217   23.605   31.248   11.648 28.96884 26.32298 
1 1 1  -64    6   21 o   47.447   12.404  1092.35  483.240  610.040  1550.61  1144.23  508.567   44.457   20.099   48.367   12.764 -3.910248 23.80969 
1 1 1  -64    6   22 o   16.524   8.0731 -573.5355  357.518 -1347.3080  1885.66 -544.6832  364.122   35.627   17.625   16.961   8.2557 18.66648 19.46294 
1 1 1  -64    8    1 o  329.010   29.469 45654.15  7789.13   0.0000   0.0000 45654.15  7789.13  ?   ?   329.010   29.469 0.000000 29.46913 
1 1 1  -64    8    2 o  276.682   28.425 32319.70  6295.05   0.0000   0.0000 32319.70  6295.05  ?   ?   276.682   28.425 0.000000 28.42476 
1 1 1  -64    8    3 o  330.056   30.797 46211.56  8157.99   0.0000   0.0000 46211.56  8157.99  ?   ?   330.056   30.797 0.000000 30.79663 
1 1 1  -64    8    4 o  123.595   12.375  6302.11  1225.22  4365.57  1323.28 17934.94  3243.26  101.856   16.570  207.698   19.458 -105.8419 25.55746 
1 1 1  -64    8    5 o  340.808   25.793 48795.38  7084.78 48795.38  7084.78   0.0000   0.0000  340.808   25.793  ?   ?  0.000000 25.79330 
1 1 1  -64    8    6 o   49.427   14.281  1022.84  605.387  1022.84  605.387   0.0000   0.0000   49.427   14.281  ?   ?  0.000000 14.28149 
1 1 1  -64    8    7 o  213.133   12.054 18644.74  2077.42 18130.47  3109.61 19059.27  2791.85  208.615   18.551  214.582   16.142 -5.967209 24.59097 
1 1 1  -64    8    8 o  523.803   39.313 122527.30 16598.33   0.0000   0.0000 122527.30 16598.33  ?   ?   523.803   39.313 0.000000 39.31316 
1 1 1  -64    8    9 o  543.387   22.595 124368.90  9969.13 172998.91 14274.10 78060.71 13929.19  635.159   27.678  410.932   42.353 224.2265 50.59485 
1 1 1  -64    8   10 o  209.954   12.406 18206.76  2105.59 16952.15  3168.02 19199.54  2818.11  199.952   19.772  214.312   16.317 -14.36058 25.63571 
1 1 1  -64    8   11 o  235.250   13.366 22998.31  2542.63 23417.29  3799.04 22658.36  3422.07  234.001   20.193  231.152   18.385 2.849518 27.30820 
1 1 1  -64    8   12 o  129.210   7.5760  6857.11  791.359  7928.80  1706.18  6563.36  893.253  136.550   15.672  126.153   8.7751 10.39738 17.96176 
1 1 1  -64    8   13 o  221.827   10.442 20367.28  1880.75 20640.61  3544.79 20260.19  2218.81  216.826   20.373  220.027   12.471 -3.200302 23.88717 
1 1 1  -64    8   14 o  294.460   13.152 36521.84  3144.57 33031.46  5719.38 38034.08  3764.64  264.333   27.028  297.958   15.615 -33.62451 31.21428 
1 1 1  -64    8   15 o   74.434   8.3147  2316.90  493.933  115.767  1367.65  2647.07  529.684   46.151   19.941   79.618   8.3162 -33.46701 21.60575 
1 1 1  -64    8   16 o  112.530   8.4519  5285.74  766.612  5434.83  1809.43  5253.12  846.324  106.696   21.626  111.817   9.4091 -5.120918 23.58460 
1 1 1  -64    8   17 o  127.100   8.6282  6777.59  885.165  7793.97  2063.08  6548.28  979.944  127.487   20.635  124.351   9.7845 3.135925 22.83760 
1 1 1  -64    8   18 o   88.942   8.7751  3360.29  625.459  2760.40  1764.00  3446.56  668.919   71.247   24.833   89.843   9.3045 -18.59632 26.51900 
1 1 1  -64    8   19 o   94.953   9.3467  3888.39  711.283  5606.83  1957.51  3626.99  763.468   99.133   24.468   90.975   10.530 8.157784 26.63742 
1 1 1  -64    8   20 o   85.072   9.5797  3185.55  650.205  2507.83  2027.96  3263.20  686.444   61.580   25.293   85.792   10.044 -24.21152 27.21416 
1 1 1  -64    8   21 o   47.665   10.728  1069.02  405.162 -2743.5239  1590.63  1333.54  418.982   30.599   15.306   53.877   9.9438 -23.27811 18.25222 
1 1 1  -64    8   22 o   60.974   13.109  1929.98  629.724  2906.71  2266.47  1848.27  655.535   51.251   23.597   58.706   13.957 -7.455048 27.41574 
1 1 1  -64   10    1 o  233.866   26.359 23082.44  4918.01   0.0000   0.0000 23082.44  4918.01  ?   ?   233.866   26.359 0.000000 26.35873 
1 1 1  -64   10    2 o  251.980   27.981 26898.15  5628.16   0.0000   0.0000 26898.15  5628.16  ?   ?   251.980   27.981 0.000000 27.98069 
1 1 1  -64   10    3 o  204.820   29.626 17991.77  4783.81   0.0000   0.0000 17991.77  4783.81  ?   ?   204.820   29.626 0.000000 29.62553 
1 1 1  -64   10    4 o  120.820   33.747  6424.14  3438.00   0.0000   0.0000  6424.14  3438.00  ?   ?   120.820   33.747 0.000000 33.74701 
1 1 1  -64   10    5 o  127.361   14.027  6727.21  1426.53  5953.21  1532.48 11751.28  3904.37  119.266   16.248  164.126   30.418 -44.86014 34.48540 
1 1 1  -64   10    6 o  212.736   18.533 18849.51  3169.39 18849.51  3169.39   0.0000   0.0000  212.736   18.533  ?   ?  0.000000 18.53349 
1 1 1  -64   10    7 o  334.012   25.970 47416.18  6987.85 47416.18  6987.85   0.0000   0.0000  334.012   25.970  ?   ?  0.000000 25.97000 
1 1 1  -64   10    9 o  453.082   23.301 87453.02  8543.26 88357.38 12302.48 86610.73 11872.95  443.369   34.444  440.116   33.475 3.252563 48.03077 
1 1 1  -64   10   10 o  180.311   8.8949 13311.13  1302.28 11361.37  2609.78 13957.59  1502.74  162.700   20.189  184.150   10.089 -21.45000 22.56923 
1 1 1  -64   10   11 o  149.522   8.1740  9183.52  988.623  7570.49  2110.39  9637.02  1119.00  131.684   20.397  152.982   9.0487 -21.29784 22.31413 
1 1 1  -64   10   12 o  265.880   11.759 29346.92  2538.70 29976.83  4711.46 29089.21  3013.62  260.464   22.499  263.067   14.161 -2.603485 26.58404 
1 1 1  -64   10   13 o  181.584   9.2985 13647.54  1366.38 13615.92  2765.14 13657.75  1571.66  175.698   19.723  181.079   10.737 -5.380920 22.45660 
1 1 1  -64   10   14 o  102.525   8.1881  4361.22  675.949  3285.23  1606.15  4592.81  745.151   83.405   22.981  105.052   8.8174 -21.64693 24.61465 
1 1 1  -64   10   15 o   37.325   10.780  598.011  344.991 -3476.5190  1233.29  943.908  359.336   26.090   13.110   46.762   9.7784 -20.67220 16.35504 
1 1 1  -64   10   16 o  122.874   8.7063  6318.71  862.999  6716.66  2010.96  6228.87  955.454  118.246   21.746  121.529   9.7651 -3.282349 23.83804 
1 1 1  -64   10   17 o   86.893   9.2352  3207.45  641.598  3082.20  1731.65  3227.38  690.761   76.400   24.581   86.852   9.9761 -10.45251 26.52792 
1 1 1  -64   10   18 o   37.780   11.821  625.575  402.858  110.301  1845.06  651.370  412.818   48.796   22.005   38.466   11.955 10.32966 25.04303 
1 1 1  -64   10   19 o   36.573   12.546  577.184  449.390  1107.75  1746.59  539.570  465.047   52.738   22.660   35.910   12.732 16.82767 25.99153 
1 1 1  -64   10   20 o   62.807   10.838  1802.37  532.754  270.944  1718.76  1965.15  560.352   44.695   20.568   65.594   10.904 -20.89833 23.27945 
1 1 1  -64   10   21 o   86.748   12.288  3637.41  841.310  1555.13  2414.05  3925.27  897.583   49.302   23.239   89.705   12.676 -40.40323 26.47157 
1 1 1  -64   10   22 o   79.441   14.034  3402.73  872.116  1452.07  2608.76  3648.16  925.356   43.532   21.379   81.650   14.488 -38.11803 25.82574 
1 1 1  -64   12    1 o  559.113   45.686 139796.70 20559.22   0.0000   0.0000 139796.70 20559.22  ?   ?   559.113   45.686 0.000000 45.68571 
1 1 1  -64   12    2 o  168.939   29.916 12390.82  3953.49   0.0000   0.0000 12390.82  3953.49  ?   ?   168.939   29.916 0.000000 29.91614 
1 1 1  -64   12    3 f  168.868   31.166 12465.20  4115.88   0.0000   0.0000 12465.20  4115.88  ?   ?   168.868   31.166 0.000000 31.16582 
1 1 1  -64   12    4 o  281.444   31.599 34208.06  7096.29   0.0000   0.0000 34208.06  7096.29  ?   ?   281.444   31.599 0.000000 31.59877 
1 1 1  -64   12    5 o  308.780   17.988 39557.72  4490.29 25716.10  5595.07 64605.66  7526.58  244.488   28.732  391.923   23.764 -147.4357 37.28630 
1 1 1  -64   12    6 f  132.731   16.875  7393.31  1777.51  7393.31  1777.51   0.0000   0.0000  132.731   16.875  ?   ?  0.000000 16.87459 
1 1 1  -64   12    7 o   40.445   15.115  513.735  667.810  513.735  667.810   0.0000   0.0000   40.445   15.115  ?   ?  0.000000 15.11472 
1 1 1  -64   12    8 o  339.034   27.707 50060.44  7560.71 50060.44  7560.71   0.0000   0.0000  339.034   27.707  ?   ?  0.000000 27.70724 
1 1 1  -64   12    9 o  419.926   17.650 73945.15  6017.95 72521.20 10826.31 74581.85  7239.43  398.389   33.787  418.154   21.394 -19.76514 39.99048 
1 1 1  -64   12   10 o   55.349   7.1211  1272.04  312.613  1875.33  1175.47  1226.13  324.291   65.928   20.120   54.246   7.5688 11.68262 21.49652 
1 1 1  -64   12   11 o  199.818   9.4889 16435.11  1539.52 17188.97  3120.12 16192.50  1769.99  199.191   19.543  197.555   11.079 1.635834 22.46500 
1 1 1  -64   12   12 o  380.746   16.916 61952.94  5229.57 54765.48  9432.84 65142.39  6283.66  329.818   35.798  386.045   20.116 -56.22751 41.06282 
1 1 1  -64   12   13 o  156.487   8.8369 10141.98  1118.24  7775.16  2403.15 10796.08  1263.35  129.244   23.776  161.148   9.7004 -31.90446 25.67872 
1 1 1  -64   12   14 o  106.219   10.540  4755.19  897.011  5793.45  1898.41  4456.75  1017.79  111.402   21.768  102.027   12.550 9.374390 25.12685 
1 1 1  -64   12   15 o   56.443   13.236  1414.28  596.102  2528.06  1681.03  1254.09  637.531   72.325   24.269   52.971   14.431 19.35446 28.23507 
1 1 1  -64   12   16 o   26.855   11.450   31.569  439.748 -389.3938  1453.97   73.953  461.355   42.672   19.361   28.084   11.839 14.58808 22.69433 
1 1 1  -64   12   17 o   44.883   12.531  905.419  474.161 -1154.9720  1659.86  1088.49  494.779   40.568   19.167   49.127   12.402 -8.559460 22.82970 
1 1 1  -64   12   18 o   70.006   13.588  2257.87  744.540  1737.08  1915.43  2350.56  808.087   59.659   24.551   70.888   14.527 -11.22952 28.52740 
1 1 1  -64   12   19 o   26.173   11.740 -125.5332  517.225 -1156.4440  1824.76 -35.4715  539.344   40.170   19.287   27.771   12.249 12.39837 22.84737 
1 1 1  -64   12   20 o   68.050   14.613  2329.86  783.334  169.583  2259.58  2624.95  835.123   46.082   21.944   72.237   14.737 -26.15521 26.43303 
1 1 1  -64   12   21 o   22.762   10.390 -139.0546  426.773 -907.4725  2247.34 -110.3069  434.683   39.177   19.355   23.302   10.578 15.87525 22.05706 
1 1 1  -64   14    1 o  481.349   41.344 103794.90 16001.89   0.0000   0.0000 103794.90 16001.89  ?   ?   481.349   41.344 0.000000 41.34362 
1 1 1  -64   14    2 o  101.084   33.443  4299.27  3194.63   0.0000   0.0000  4299.27  3194.63  ?   ?   101.084   33.443 0.000000 33.44337 
1 1 1  -64   14    3 o  314.024   33.155 43105.58  8326.07   0.0000   0.0000 43105.58  8326.07  ?   ?   314.024   33.155 0.000000 33.15545 
1 1 1  -64   14    4 o  187.326   35.913 15852.48  5263.73   0.0000   0.0000 15852.48  5263.73  ?   ?   187.326   35.913 0.000000 35.91340 
1 1 1  -64   14    5 o  255.590   35.261 29290.68  7122.95   0.0000   0.0000 29290.68  7122.95  ?   ?   255.590   35.261 0.000000 35.26130 
1 1 1  -64   14    6 o  134.959   20.177  7789.60  2143.21  7789.60  2143.21   0.0000   0.0000  134.959   20.177  ?   ?  0.000000 20.17738 
1 1 1  -64   14    7 o   18.494   7.4869   57.450  174.601 -58.2623  691.520   65.330  180.447   32.916   14.201   18.962   7.6341 13.95328 16.12300 
1 1 1  -64   14    8 o  158.268   11.402 10365.38  1455.38  8318.31  2533.91 11373.14  1777.88  137.422   23.557  165.253   13.364 -27.83136 27.08369 
1 1 1  -64   14    9 o  145.816   11.275  8823.55  1324.60  6143.30  2362.81 10051.95  1599.60  116.204   25.722  155.221   12.806 -39.01719 28.73350 
1 1 1  -64   14   10 o  174.918   11.620 12728.82  1640.94 13539.40  2774.25 12292.62  2035.12  176.591   19.683  170.592   14.840 5.999710 24.65067 
1 1 1  -64   14   11 o  154.860   12.085 10044.64  1507.53  6410.48  2623.35 11836.49  1842.07  115.726   28.181  167.486   13.664 -51.75932 31.31899 
1 1 1  -64   14   12 o  139.924   11.503  8218.30  1295.29  7031.51  2380.76  8717.31  1543.77  122.384   24.807  143.305   13.424 -20.92056 28.20649 
1 1 1  -64   14   13 o  201.483   13.724 17314.00  2231.78 15293.55  3599.07 18576.29  2844.76  179.396   25.419  205.997   17.164 -26.60085 30.67157 
1 1 1  -64   14   14 o  203.397   14.484 17898.59  2376.42 14258.29  3905.45 20038.91  2994.62  165.802   30.119  212.296   17.529 -46.49446 34.84871 
1 1 1  -64   14   15 o   46.302   14.496  939.178  605.712 -669.4959  1684.63  1178.02  649.122   44.440   20.418   51.224   14.785 -6.784058 25.20871 
1 1 1  -64   14   16 o   41.149   12.324  745.106  444.073 -1799.2531  1840.66  902.352  457.589   40.491   19.422   44.965   12.216 -4.473808 22.94448 
1 1 1  -64   14   17 o   62.542   12.187  1758.13  596.641  854.319  2083.68  1838.85  622.715   55.259   24.233   63.867   12.455 -8.607742 27.24651 
1 1 1  -64   14   18 o   27.222   12.069 -78.9350  530.317  4273.80  2041.98 -393.7492  549.160   81.428   26.728   24.435   11.377 56.99255 29.04849 
1 1 1  -64   14   19 o   31.106   13.183  185.093  576.963 -860.1496  2232.23  259.921  597.258   43.710   21.074   32.482   13.568 11.22744 25.06383 
1 1 1  -64   14   20 o   65.323   15.210  2245.29  791.653   77.359  2686.72  2451.41  828.432   45.579   22.238   68.247   15.325 -22.66777 27.00710 
1 1 1  -64   14   21 o   34.031   14.642  434.058  731.013  2936.13  2827.25  254.803  756.746   48.531   23.476   32.389   14.386 16.14235 27.53334 
1 1 1  -64   16    1 o  345.935   34.075 53197.82  9447.01   0.0000   0.0000 53197.82  9447.01  ?   ?   345.935   34.075 0.000000 34.07510 
1 1 1  -64   16    2 o  250.514   31.829 27792.92  6328.17   0.0000   0.0000 27792.92  6328.17  ?   ?   250.514   31.829 0.000000 31.82905 
1 1 1  -64   16    3 o  192.307   34.690 16833.47  5217.50   0.0000   0.0000 16833.47  5217.50  ?   ?   192.307   34.690 0.000000 34.69034 
1 1 1  -64   16    6 o   58.954   8.8759  1453.67  411.706 -238.4507  1294.12  1644.21  434.269   43.504   19.087   62.796   8.7552 -19.29239 20.99932 
1 1 1  -64   16    7 o   99.248   9.4847  4077.41  755.030  4334.16  1684.64  4012.88  844.609   98.892   21.586   98.180   10.772 0.7117386 24.12439 
1 1 1  -64   16    8 o   75.325   9.9294  2372.92  592.497  753.866  1597.96  2630.99  637.972   56.230   22.690   79.334   10.135 -23.10383 24.85055 
1 1 1  -64   16    9 o  143.161   11.617  8547.17  1338.70  6595.90  2517.61  9316.36  1580.69  119.108   26.693  148.942   13.207 -29.83406 29.78187 
1 1 1  -64   16   10 f  112.763   7.8707  5243.77  716.120  3030.83  1974.21  5579.06  768.458   81.366   26.253  116.255   8.1933 -34.88900 27.50165 
1 1 1  -64   16   11 o   89.393   7.6620  3306.65  550.769  1504.50  1792.35  3494.56  578.772   64.031   24.572   91.878   7.8330 -27.84624 25.78988 
1 1 1  -64   16   12 o  103.934   8.1618  4481.56  683.242  3784.41  2108.36  4563.37  722.216   87.850   26.970  104.772   8.5645 -16.92191 28.29701 
1 1 1  -64   16   13 o   67.869   9.1176  1945.24  489.737  894.694  1899.87  2020.01  506.866   58.292   24.261   69.141   9.2613 -10.84862 25.96846 
1 1 1  -64   16   14 o   64.178   9.9011  1762.54  499.350  157.350  2001.44  1869.09  515.657   53.305   23.549   66.124   9.9095 -12.81875 25.54869 
1 1 1  -64   16   15 o   58.750   11.076  1511.32  508.994 -188.9770  1937.58  1637.35  527.521   49.632   22.451   61.231   11.015 -11.59916 25.00753 
1 1 1  -64   16   16 o   51.476   12.475  1198.90  515.950 -803.1582  2120.17  1324.92  531.942   47.307   22.133   54.189   12.363 -6.882584 25.35200 
1 1 1  -64   16   17 o   92.371   10.225  3718.58  754.023  2415.86  2639.37  3834.35  786.815   65.181   27.927   93.621   10.533 -28.43935 29.84719 
1 1 1  -64   16   18 o   34.575   13.854  390.986  591.247  2186.53  2497.85  284.415  608.540   59.775   26.362   33.288   13.782 26.48699 29.74737 
1 1 1  -64   16   19 o   63.479   16.095  2130.47  830.757 -1596.5940  2914.12  2460.16  866.722   43.935   21.766   68.658   15.866 -24.72338 26.93486 
1 1 1  -64   16   20 o   27.292   12.774 -306.6870  707.282   96.103  3008.61 -330.2496  727.675   44.031   21.866   27.480   12.892 16.55148 25.38345 
1 1 1  -64   18    5 o   97.709   38.057  3733.11  4347.94   0.0000   0.0000  3733.11  4347.94  ?   ?    97.709   38.057 0.000000 38.05731 
1 1 1  -64   18    6 o  204.253   14.651 17499.03  2413.68  7809.09  4851.19 20686.93  2782.53  124.033   41.220  221.721   15.554 -97.68774 44.05753 
1 1 1  -64   18    7 o   58.997   10.145  1473.09  468.439  2305.46  1450.53  1376.17  494.960   72.397   22.394   56.770   11.136 15.62707 25.01006 
1 1 1  -64   18    8 o  122.936   12.882  6364.26  1266.81   0.0000   0.0000  6364.26  1266.81  ?   ?   122.936   12.882 0.000000 12.88230 
1 1 1  -64   18    9 o  142.268   12.356  8505.33  1413.19  8331.21  2995.15  8555.19  1602.82  131.677   28.814  141.977   14.090 -10.29990 32.07446 
1 1 1  -64   18   10 o  189.678   13.985 15275.32  2138.66 13959.81  3806.18 15882.28  2585.38  170.280   28.539  191.617   16.786 -21.33649 33.10939 
1 1 1  -64   18   11 o   71.641   10.110  2173.37  571.763  1164.41  2097.07  2254.39  594.278   62.879   25.761   72.926   10.325 -10.04636 27.75286 
1 1 1  -64   18   12 o   55.780   9.1037  1323.24  398.098 -106.2316  1872.47  1390.92  407.412   51.014   22.645   57.229   9.0701 -6.214561 24.39367 
1 1 1  -64   18   13 o  160.950   10.032 10898.59  1304.48  6154.28  3250.88 11809.12  1424.17  102.287   33.731  167.260   10.540 -64.97253 35.33995 
1 1 1  -64   18   14 o  166.921   10.226 11806.59  1379.31  7321.02  3556.38 12600.78  1496.44  106.149   35.294  172.076   10.764 -65.92654 36.89912 
1 1 1  -64   18   15 o   84.042   9.5035  3020.49  637.115  285.550  2357.76  3235.93  661.733   54.993   24.831   87.012   9.5217 -32.01891 26.59381 
1 1 1  -64   18   16 o   90.321   9.8960  3531.01  713.872  2307.21  2719.56  3621.58  739.815   65.528   28.217   91.341   10.147 -25.81255 29.98598 
1 1 1  -64   18   17 o   39.481   13.537  696.524  523.181  1325.83  2392.96  664.933  536.152   55.998   25.175   38.929   13.684 17.06875 28.65334 
1 1 1  -64   18   18 o   49.019   16.568  1254.20  783.554  3012.74  2700.54  1092.55  818.776   60.540   27.014   46.356   16.837 14.18387 31.83114 
1 1 1  -64   18   19 o   30.103   13.861 -158.1586  782.072  437.228  2793.63 -208.7874  814.645   45.980   22.486   30.224   13.998 15.75532 26.48640 
1 1 1  -64   20    2 o  162.311   38.249 13015.07  4958.19   0.0000   0.0000 13015.07  4958.19  ?   ?   162.311   38.249 0.000000 38.24860 
1 1 1  -64   20    3 o  151.547   41.676 11850.95  5288.12   0.0000   0.0000 11850.95  5288.12  ?   ?   151.547   41.676 0.000000 41.67583 
1 1 1  -64   20    4 o  125.122   39.667  7966.43  4522.36   0.0000   0.0000  7966.43  4522.36  ?   ?   125.122   39.667 0.000000 39.66742 
1 1 1  -64   20    5 o   23.280   9.2800  114.397  263.856   0.0000   0.0000  114.397  263.856  ?   ?    23.280   9.2800 0.000000 9.279962 
1 1 1  -64   20    6 o  ?   ?  -405.2459   88.125 -920.1135  1247.59 -402.6641   88.346   37.450   17.336  ?   ?  0.000000 17.33611 
1 1 1  -64   20    7 o  138.965   12.435  8111.42  1388.26  4626.46  3214.74  8910.30  1539.17   97.647   33.553  145.403   13.180 -47.75589 36.04863 
1 1 1  -64   20    8 o  102.450   13.808  4488.95  1119.38   0.0000   0.0000  4488.95  1119.38  ?   ?   102.450   13.808 0.000000 13.80807 
1 1 1  -64   20    9 o   43.350   14.375  768.243  590.119  2736.31  2059.74  592.251  615.939   77.319   26.841   40.343   14.611 36.97651 30.55968 
1 1 1  -64   20   10 o   87.036   13.915  3290.11  950.250  1516.11  2555.59  3574.74  1023.65   68.681   28.323   90.600   14.397 -21.91892 31.77148 
1 1 1  -64   20   11 o  144.503   12.120  8882.74  1408.87  5298.85  3376.81  9638.08  1550.25   97.138   34.321  150.148   12.839 -53.00977 36.64433 
1 1 1  -64   20   12 o  144.659   9.0442  8754.26  1056.98  8832.26  3310.01  8745.40  1115.38  125.371   32.312  144.331   9.5719 -18.96001 33.70026 
1 1 1  -64   20   13 o   35.145   11.427  515.798  373.545  999.409  2262.11  502.241  378.744   59.973   25.779   34.861   11.514 25.11211 28.23349 
1 1 1  -64   20   14 o  166.706   10.280 11866.38  1384.66 12968.79  3927.65 11709.92  1479.66  142.838   34.298  164.920   11.114 -22.08234 36.05358 
1 1 1  -64   20   15 o   50.404   12.402  1159.74  504.106  1183.53  2399.46  1158.64  515.614   58.397   25.792   50.302   12.640 8.095512 28.72239 
1 1 1  -64   20   16 o   34.920   12.971  478.455  490.385  1340.53  2962.20  454.163  497.246   58.314   26.895   34.546   13.016 23.76824 29.87957 
1 1 1  -64   20   17 o   34.217   14.975  145.663  792.179 -858.6525  2620.74  246.654  831.055   45.925   22.307   35.825   15.512 10.10049 27.16988 
1 1 1  -64   20   18 o   48.574   18.231  1364.49  973.590  3264.55  3447.65  1199.84  1014.90   55.319   26.547   46.405   18.294 8.914059 32.23989 
1 1 1  -64   20   19 o   30.002   14.042 -202.9903  854.811  2303.73  3152.00 -401.9904  888.094   47.172   23.232   29.152   13.846 18.01981 27.04508 
1 1 1  -64   22    1 o  221.702   34.095 23627.22  5941.03   0.0000   0.0000 23627.22  5941.03  ?   ?   221.702   34.095 0.000000 34.09521 
1 1 1  -64   22    2 o  284.184   38.482 40399.65  8651.30   0.0000   0.0000 40399.65  8651.30  ?   ?   284.184   38.482 0.000000 38.48215 
1 1 1  -64   22    3 o  190.121   41.043 18944.01  6150.26   0.0000   0.0000 18944.01  6150.26  ?   ?   190.121   41.043 0.000000 41.04290 
1 1 1  -64   22    4 o  213.793   40.503 23914.87  6773.70   0.0000   0.0000 23914.87  6773.70  ?   ?   213.793   40.503 0.000000 40.50327 
1 1 1  -64   22    5 o  134.142   13.689  7620.23  1470.09   0.0000   0.0000  7620.23  1470.09  ?   ?   134.142   13.689 0.000000 13.68891 
1 1 1  -64   22    6 o  137.781   13.335  8038.60  1473.19  3122.10  4252.72  8709.05  1570.43   89.108   36.616  143.314   13.661 -54.20646 39.08158 
1 1 1  -64   22    7 o  147.030   13.641  9190.45  1609.94  4447.93  4130.70 10039.90  1748.19   95.290   37.100  153.445   14.192 -58.15475 39.72201 
1 1 1  -64   22    8 o   87.306   14.450  3318.07  988.516 -103.3182  3232.12  3671.12  1038.27   65.194   29.288   91.957   14.376 -26.76280 32.62608 
1 1 1  -64   22    9 o  110.398   14.748  5303.93  1288.96 -826.2990  3087.02  6598.35  1418.53   60.101   27.623  123.474   14.421 -63.37271 31.16059 
1 1 1  -64   22   10 o   78.586   15.717  2767.96  967.849  5842.33  3075.80  2430.10  1019.64  102.096   32.751   72.830   17.467 29.26672 37.11758 
1 1 1  -64   22   11 o   45.919   16.449  846.271  778.221 -183.3924  2949.49  923.316  806.812   59.840   27.314   47.407   16.774 12.43328 32.05357 
1 1 1  -64   22   12 o   67.445   9.1881  1939.34  490.077  1751.64  2977.83  1944.56  496.852   68.125   29.430   67.495   9.3142 0.6300659 30.86908 
1 1 1  -64   22   13 o   15.878   7.5454 -317.3851  264.449 -2886.9319  2845.63 -295.0003  265.599   47.213   23.002   16.185   7.6531 31.02818 24.24216 
1 1 1  -64   22   14 o   31.107   11.614  346.528  394.082  1668.53  3144.54  325.434  397.214   63.496   28.673   30.718   11.620 32.77867 30.93765 
1 1 1  -64   22   15 f   55.825   18.629  1605.54  990.419  6456.16  3553.45  1196.98  1031.29   83.177   33.740   50.040   18.767 33.13780 38.60772 
1 1 1  -64   22   16 o   39.424   16.500  511.432  885.850  1076.14  3135.15  462.435  923.481   54.119   25.792   39.291   16.667 14.82795 30.70838 
1 1 1  -64   22   17 o   57.094   19.673  2024.73  1105.59  2109.46  4389.40  2018.99  1142.42   52.885   26.288   56.647   19.969 -3.762348 33.01214 
1 1 1  -64   22   18 o   35.598   16.042  317.287  978.456  5423.95  3976.30 -11.8592  1009.50   53.301   26.220   33.441   15.521 19.86058 30.46936 
1 1 1  -64   24    1 o  174.079   39.339 16065.65  5429.52   0.0000   0.0000 16065.65  5429.52  ?   ?   174.079   39.339 0.000000 39.33901 
1 1 1  -64   24    2 o   43.614   20.865 -2438.6399  2093.35   0.0000   0.0000 -2438.6399  2093.35  ?   ?    43.614   20.865 0.000000 20.86527 
1 1 1  -64   24    3 o  162.102   43.049 15009.85  5761.59   0.0000   0.0000 15009.85  5761.59  ?   ?   162.102   43.049 0.000000 43.04906 
1 1 1  -64   24    4 o  106.372   13.284  4824.30  1122.31   0.0000   0.0000  4824.30  1122.31  ?   ?   106.372   13.284 0.000000 13.28369 
1 1 1  -64   24    5 o  165.814   15.728 11852.25  2092.19   0.0000   0.0000 11852.25  2092.19  ?   ?   165.814   15.728 0.000000 15.72780 
1 1 1  -64   24    6 o  103.523   14.411  4637.08  1178.49  1964.77  4738.62  4813.27  1216.72   83.116   36.494  105.416   14.608 -22.30006 39.30899 
1 1 1  -64   24    7 o  237.305   19.036 25114.40  3637.11   0.0000   0.0000 25114.40  3637.11  ?   ?   237.305   19.036 0.000000 19.03632 
1 1 1  -64   24    8 o  168.741   15.596 12444.23  2112.64  9163.05  5489.08 13014.80  2288.96  114.833   43.251  171.783   16.618 -56.95021 46.33361 
1 1 1  -64   24    9 o  137.958   15.590  8406.28  1715.70  4537.41  4848.26  8960.14  1834.41   89.406   38.065  142.031   16.196 -52.62577 41.36770 
1 1 1  -64   24   10 o  102.570   37.355  7087.32  4034.21  7087.32  4034.21   0.0000   0.0000  102.570   37.355  ?   ?  0.000000 37.35474 
1 1 1  -64   24   11 o   37.816   15.349  363.144  735.868 -1631.3430  3601.73  450.025  751.724   57.462   27.457   39.245   15.658 18.21653 31.60742 
1 1 1  -64   24   12 o  105.439   17.957  5303.20  1482.29  4397.63  4610.99  5407.57  1565.38   78.951   35.259  105.627   18.948 -26.67564 40.02750 
1 1 1  -64   24   13 o   54.198   19.327  1427.27  1073.12 -3144.1650  3926.08  1796.38  1115.61   52.170   25.739   59.376   19.769 -7.206001 32.45426 
1 1 1  -64   24   14 o   79.479   19.667  3366.16  1262.29  3966.86  4440.60  3313.36  1316.60   67.895   31.851   77.898   20.527 -10.00302 37.89223 
1 1 1  -64   24   15 o   52.458   19.266  1510.51  1076.42  1350.48  3957.52  1523.29  1118.59   55.856   27.194   52.553   19.577 3.303467 33.50808 
1 1 1  -64   24   16 o   52.200   19.685  1676.82  1137.90  2166.19  4627.58  1645.33  1173.94   52.897   26.405   51.658   19.871 1.238903 33.04708 
1 1 1  -64   26    1 o  119.410   38.823  8137.33  4312.01   0.0000   0.0000  8137.33  4312.01  ?   ?   119.410   38.823 0.000000 38.82299 
1 1 1  -64   26    2 o   70.840   31.744  241.728  3771.66   0.0000   0.0000  241.728  3771.66  ?   ?    70.840   31.744 0.000000 31.74419 
1 1 1  -64   26    3 o   75.699   33.640  942.412  4143.77   0.0000   0.0000  942.412  4143.77  ?   ?    75.699   33.640 0.000000 33.64033 
1 1 1  -64   26    4 o  109.546   15.291  5241.17  1323.00   0.0000   0.0000  5241.17  1323.00  ?   ?   109.546   15.291 0.000000 15.29076 
1 1 1  -64   26    5 o  247.100   19.117 27365.52  3805.72   0.0000   0.0000 27365.52  3805.72  ?   ?   247.100   19.117 0.000000 19.11690 
1 1 1  -64   26    6 o  285.250   22.071 37897.98  5072.15   0.0000   0.0000 37897.98  5072.15  ?   ?   285.250   22.071 0.000000 22.07095 
1 1 1  -64   26    7 o   42.996   16.052  672.231  752.780 -1721.6670  4496.35  741.266  763.557   65.476   31.114   44.198   16.228 21.27740 35.09180 
1 1 1  -64   26    8 o   41.810   16.376  553.694  808.464 -2303.9641  3922.19  680.497  826.206   59.194   28.382   43.822   16.714 15.37208 32.93837 
1 1 1  -64   26    9 o   59.717   18.414  1681.04  981.587 -4127.1030  4897.90  1924.08  1001.91   59.714   29.320   63.593   18.372 -3.879078 34.60030 
1 1 1  -64   26   10 o   41.149   16.928  434.319  910.253  993.476  4374.48  409.013  930.623   67.966   31.797   41.147   17.040 26.81824 36.07508 
1 1 1  -64   26   11 o   48.740   18.735  988.843  1043.13  1387.88  4286.54  963.725  1075.46   66.261   31.151   48.674   18.936 17.58706 36.45471 
1 1 1  -64   26   12 o   70.129   19.754  2586.42  1172.86  7120.65  3964.16  2151.43  1227.84   86.515   35.428   63.382   20.722 23.13261 41.04338 
1 1 1  -64   26   13 o  127.209   21.055  8817.24  2098.70  1273.67  6199.02  9793.81  2230.41   61.043   30.486  133.848   21.231 -72.80501 37.15047 
1 1 1  -64   26   14 o   91.119   23.000  5165.08  1701.88  4885.40  5912.48  5190.34  1777.09   60.808   30.272   89.669   23.954 -28.86130 38.60288 
1 1 1  -64   26   15 o   39.922   17.604  530.615  1113.34  1403.88  5712.88  496.140  1135.11   51.260   26.036   39.800   17.651 11.45968 31.45545 
1 1 1  -64   28    1 o   92.004   38.525  4607.04  4832.16   0.0000   0.0000  4607.04  4832.16  ?   ?    92.004   38.525 0.000000 38.52498 
1 1 1  -64   28    2 o   72.601   33.307  308.071  4459.80   0.0000   0.0000  308.071  4459.80  ?   ?    72.601   33.307 0.000000 33.30653 
1 1 1  -64   28    3 o   39.879   14.932  557.002  652.398   0.0000   0.0000  557.002  652.398  ?   ?    39.879   14.932 0.000000 14.93219 
1 1 1  -64   28    4 f   48.592   17.296  965.054  859.091   0.0000   0.0000  965.054  859.091  ?   ?    48.592   17.296 0.000000 17.29607 
1 1 1  -64   28    5 o  173.374   18.689 13786.80  2589.33   0.0000   0.0000 13786.80  2589.33  ?   ?   173.374   18.689 0.000000 18.68894 
1 1 1  -64   28    6 o  111.486   18.293  5775.23  1598.45   0.0000   0.0000  5775.23  1598.45  ?   ?   111.486   18.293 0.000000 18.29256 
1 1 1  -64   28    7 o   58.657   19.380  1621.16  1072.87  6162.05  6829.09  1506.25  1086.36   87.762   40.603   57.012   19.508 30.74975 45.04628 
1 1 1  -64   28    8 o   59.062   19.921  1682.74  1132.78 -5907.0732  6178.92  1946.70  1152.31   60.787   30.370   62.832   20.034 -2.044453 36.38247 
1 1 1  -64   28    9 o   55.668   27.212 -2426.0510  4079.24 -547.3474  4747.43 -7726.5571  7974.22   62.744   30.368   62.216   31.511 0.5281525 43.76277 
1 1 1  -64   28   10 o   56.774   20.304  1632.19  1185.27  1326.70  6375.92  1643.12  1206.29   66.750   32.906   56.918   20.470 9.831806 38.75375 
1 1 1  -64   28   11 o   81.231   22.551  3800.41  1540.10  1460.62  6872.32  3924.14  1580.29   63.409   31.732   82.239   22.848 -18.83027 39.10117 
1 1 1  -64   28   12 o   85.857   23.551  4578.41  1691.15  3537.97  7476.51  4634.51  1736.15   61.217   30.948   85.671   24.000 -24.45388 39.16357 
1 1 1  -64   28   13 f   59.231   22.340  2368.48  1465.60  4058.20  5538.85  2241.27  1519.77   57.457   28.713   57.549   22.476 -0.9148407E-01 36.46424 
1 1 1  -64   30    1 o  105.040   10.858  4724.17  912.686   0.0000   0.0000  4724.17  912.686  ?   ?   105.040   10.858 0.000000 10.85776 
1 1 1  -64   30    2 o   62.647   18.203  1857.29  981.042   0.0000   0.0000  1857.29  981.042  ?   ?    62.647   18.203 0.000000 18.20317 
1 1 1  -64   30    3 o  120.147   18.548  6777.88  1751.18   0.0000   0.0000  6777.88  1751.18  ?   ?   120.147   18.548 0.000000 18.54785 
1 1 1  -64   30    4 o   20.711   10.155 -1080.2250  581.346   0.0000   0.0000 -1080.2250  581.346  ?   ?    20.711   10.155 0.000000 10.15528 
1 1 1  -64   30    5 o   97.175   19.721  4627.10  1502.86   0.0000   0.0000  4627.10  1502.86  ?   ?    97.175   19.721 0.000000 19.72093 
1 1 1  -64   30    6 o  119.076   19.762  6983.27  1843.73   0.0000   0.0000  6983.27  1843.73  ?   ?   119.076   19.762 0.000000 19.76225 
1 1 1  -64   30    7 o   67.861   20.745  2414.45  1248.96   0.0000   0.0000  2414.45  1248.96  ?   ?    67.861   20.745 0.000000 20.74520 
1 1 1  -64   30    8 o   42.485   18.222  409.176  1125.80 -6712.9170  8537.69  535.205  1135.72   60.582   30.873   43.782   18.523 16.80003 36.00294 
1 1 1  -64   30    9 o   26.085   12.805 -1526.9750  932.985 18704.95  8263.09 -1788.2350  938.990   86.531   41.412   25.108   12.424 61.42294 43.23565 
1 1 1  -64   30   10 o   42.167   18.396  464.028  1187.20 -6221.3350  7302.29  645.534  1203.21   53.481   27.361   43.884   18.830 9.596992 33.21424 
1 1 1  -64   30   11 o   32.599   15.145 -320.3448  965.063  3138.75  8746.58 -362.9751  970.992   57.004   29.220   32.399   15.099 24.60500 32.89011 
1 1 1  -64   32    1 o   89.651   40.622  9611.26  6374.48   0.0000   0.0000  9611.26  6374.48  ?   ?    89.651   40.622 0.000000 40.62222 
1 1 1  -64   32    2 o   90.726   42.852 13613.54  8284.02   0.0000   0.0000 13613.54  8284.02  ?   ?    90.726   42.852 0.000000 42.85170 
1 1 1  -64   32    3 o  115.818   20.198  6792.67  1830.39   0.0000   0.0000  6792.67  1830.39  ?   ?   115.818   20.198 0.000000 20.19823 
1 1 1  -64   32    4 o   68.587   21.230  2536.60  1303.38   0.0000   0.0000  2536.60  1303.38  ?   ?    68.587   21.230 0.000000 21.22993 
1 1 1  -64   32    5 o   87.544   22.443  4266.72  1602.78   0.0000   0.0000  4266.72  1602.78  ?   ?    87.544   22.443 0.000000 22.44294 
1 1 1  -64   32    6 o   45.473   18.833  767.375  1136.75   0.0000   0.0000  767.375  1136.75  ?   ?    45.473   18.833 0.000000 18.83253 
1 1 1  -64   32    7 o  104.102   24.152  6524.06  2001.97   0.0000   0.0000  6524.06  2001.97  ?   ?   104.102   24.152 0.000000 24.15156 
1 1 1  -64   32    8 o   75.282   23.691  3686.81  1615.58   0.0000   0.0000  3686.81  1615.58  ?   ?    75.282   23.691 0.000000 23.69128 
1 1 1  -63    1    1 o  658.154   34.189 182498.50 18207.40 181837.50 25736.47 183160.80 25761.85  644.276   49.578  646.765   49.430 -2.488403 70.00929 
1 1 1  -63    1    2 o  291.517   18.466 35002.82  4348.46 35485.50  6139.31 34516.87  6160.05  291.438   26.225  287.251   26.717 4.187042 37.43721 
1 1 1  -63    1    3 o  157.850   10.477 10196.11  1335.26 10499.81  1501.83  9050.33  2917.11  160.049   11.636  145.757   25.581 14.29227 28.10345 
1 1 1  -63    1    4 o  542.550   26.676 122424.10 11751.47 120439.80 16638.17 124399.20 16600.07  529.841   38.947  539.082   38.171 -9.241211 54.53362 
1 1 1  -63    1    5 o  338.404   24.417 47737.17  6664.03   0.0000   0.0000 47737.17  6664.03  ?   ?   338.404   24.417 0.000000 24.41684 
1 1 1  -63    1    6 o   69.457   8.1008  1990.14  448.272  1601.51  664.861  2314.07  606.989   61.388   13.688   74.648   10.288 -13.26063 17.12266 
1 1 1  -63    1    7 o  271.232   14.341 30214.93  3147.14 29102.35  4482.51 31296.51  4419.61  264.421   21.052  274.599   19.958 -10.17850 29.00925 
1 1 1  -63    1    8 o  241.918   13.213 24028.55  2585.58 22976.76  3675.49 25058.96  3637.93  235.015   19.435  245.809   18.360 -10.79390 26.73602 
1 1 1  -63    1    9 o  216.265   12.301 19205.26  2151.21 21191.15  3071.04 17292.08  3014.30  226.124   16.847  203.716   18.422 22.40753 24.96428 
1 1 1  -63    1   10 o  229.692   12.959 21716.51  2406.95 22095.55  3447.07 21355.86  3362.39  230.043   18.614  226.184   18.469 3.858109 26.22225 
1 1 1  -63    1   11 o  434.034   22.569 79746.09  7926.54 72054.74 11234.86 87369.25 11184.94  401.420   34.814  446.367   31.054 -44.94635 46.65136 
1 1 1  -63    1   12 o   87.342   11.148  3185.17  772.552  3061.38  1051.47  3330.39  1138.87   84.459   15.916   88.016   16.543 -3.557701 22.95654 
1 1 1  -63    1   13 o  117.645   11.117  5760.42  1049.35  7201.25  1522.32  4456.01  1448.46  130.580   14.608  101.141   18.312 29.43892 23.42483 
1 1 1  -63    1   14 o  185.161   12.408 14349.06  1854.76 14733.77  2658.80 13984.38  2588.67  184.686   17.957  179.889   17.963 4.797531 25.39948 
1 1 1  -63    1   15 o   39.653   15.449  450.890  716.589 -790.4222  1058.84  1499.88  973.364   34.309   15.914   58.568   18.382 -24.25867 24.31362 
1 1 1  -63    1   16 o   50.659   15.984  1113.14  734.961  584.800  1132.91  1497.08  965.767   47.257   19.092   58.038   18.324 -10.78040 26.46267 
1 1 1  -63    1   17 o   69.365   16.568  2203.03  920.329  2081.21  1288.96  2329.74  1314.49   66.389   21.191   69.803   21.271 -3.414139 30.02517 
1 1 1  -63    1   18 o  211.896   11.653 19279.05  1997.27 16852.00  3697.29 20279.13  2373.35  180.097   26.040  215.181   13.655 -35.08401 29.40253 
1 1 1  -63    1   19 o  169.006   10.748 12319.33  1467.23  9479.40  2861.90 13331.92  1708.90  127.923   28.303  174.445   12.140 -46.52292 30.79663 
1 1 1  -63    1   20 o  145.183   10.946  9267.68  1280.87  7315.74  2534.87  9936.95  1484.31  106.136   28.717  148.774   12.400 -42.63857 31.27998 
1 1 1  -63    1   21 o  102.696   9.7831  4667.92  805.914  6280.67  2067.99  4379.12  875.101   97.461   25.747   98.250   11.168 -0.7883530 28.06504 
1 1 1  -63    1   22 o   18.113   8.5462 -298.8133  327.972  1477.62  1414.42 -399.7539  337.161   48.668   20.635   17.417   8.3434 31.25108 22.25771 
1 1 1  -63    1   23 o   22.749   9.4790  124.299  290.508 -84.7521  371.246  454.508  466.586   21.581   9.7886   31.725   12.436 -10.14345 15.82655 
1 1 1  -63    3    1 o  523.353   27.691 114112.30 11725.32 110265.80 16516.35 118020.60 16648.65  507.192   40.442  525.579   39.297 -18.38696 56.38934 
1 1 1  -63    3    2 o  118.428   9.7636  5749.74  930.503  6603.47  1021.80  1602.60  2252.05  126.945   9.9940   72.859   27.641 54.08600 29.39272 
1 1 1  -63    3    3 o  407.426   19.263 68218.91  6372.62 69785.16  7641.77 64642.79 11546.98  410.402   23.025  388.794   37.024 21.60834 43.60012 
1 1 1  -63    3    4 o  509.298   36.905 110801.00 15157.93 110801.00 15157.93   0.0000   0.0000  509.298   36.905  ?   ?  0.000000 36.90498 
1 1 1  -63    3    5 o  309.869   15.439 39328.80  3884.39 42154.33  5575.19 36663.31  5415.01  318.751   21.670  296.873   22.635 21.87793 31.33555 
1 1 1  -63    3    6 o  394.039   28.337 65376.43  9005.64   0.0000   0.0000 65376.43  9005.64  ?   ?   394.039   28.337 0.000000 28.33656 
1 1 1  -63    3    7 o  343.723   17.323 48717.86  4819.23 51299.84  6902.59 46262.29  6731.48  350.105   24.435  332.095   25.150 18.01068 35.06558 
1 1 1  -63    3    8 o  221.314   12.225 20090.40  2188.28 21657.33  3188.73 18695.57  3008.53  228.671   17.302  212.289   17.613 16.38194 24.68948 
1 1 1  -63    3    9 o  372.975   19.050 57763.14  5750.01 58968.53  8210.93 56603.16  8054.79  372.532   27.336  364.919   27.384 7.613678 38.69289 
1 1 1  -63    3   10 f  109.529   9.8915  4941.07  870.203  5493.81  1329.94  4527.25  1150.73  114.634   14.621  104.037   13.976 10.59761 20.22616 
1 1 1  -63    3   11 o   50.441   13.054  1086.32  538.766  871.628  1067.66  1159.67  624.050   51.470   19.136   52.185   14.303 -0.7140770 23.89005 
1 1 1  -63    3   12 o  127.433   10.379  6710.83  1064.60  5920.04  1646.99  7278.36  1395.26  117.605   17.805  132.059   13.189 -14.45404 22.15714 
1 1 1  -63    3   13 o   46.736   15.257  888.637  665.692  970.570  991.574  821.409  898.197   51.399   18.550   48.179   17.614 3.219517 25.58012 
1 1 1  -63    3   14 o  257.120   14.916 27982.78  3100.71 27191.67  4459.92 28722.92  4313.85  247.203   22.465  255.520   20.977 -8.317978 30.73625 
1 1 1  -63    3   15 o  109.728   7.6555  4974.17  677.793  5384.64  1515.77  4871.58  757.773  110.435   17.486  108.315   8.6892 2.119339 19.52633 
1 1 1  -63    3   16 o  104.034   7.6954  4487.46  645.436  5288.37  1388.99  4266.89  728.911  109.438   16.114  101.051   8.9772 8.387512 18.44547 
1 1 1  -63    3   17 o  112.730   8.5795  5313.74  779.413  3552.72  1774.65  5734.61  867.564   83.907   24.512  116.876   9.2167 -32.96960 26.18759 
1 1 1  -63    3   18 o   29.065   10.904  281.849  348.224  663.774  1105.73  239.800  366.893   46.548   18.842   28.574   11.076 17.97371 21.85635 
1 1 1  -63    3   19 o  186.314   10.461 14931.73  1576.17 14199.36  3102.10 15186.60  1830.00  163.775   24.043  186.067   12.180 -22.29172 26.95248 
1 1 1  -63    3   20 f   59.477   11.755  1610.10  547.542  3671.77  1677.59  1364.28  579.265   78.679   24.041   53.897   13.314 24.78246 27.48194 
1 1 1  -63    3   21 o   34.425   11.739  524.994  393.405  822.293  1408.20  499.827  409.718   46.288   20.117   33.971   11.960 12.31713 23.40404 
1 1 1  -63    3   22 o   19.265   8.8901 -186.6702  324.308  509.070  1805.84 -209.8570  329.668   43.213   20.284   19.162   8.8849 24.05155 22.14502 
1 1 1  -63    3   23 o   37.887   12.554  760.644  450.112   0.0000   0.0000  760.644  450.112  ?   ?    37.887   12.554 0.000000 12.55424 
1 1 1  -63    5    1 o   64.592   8.4423  1726.40  432.177  1859.77  451.409  260.369  1496.60   67.076   8.4775   51.772   21.539 15.30439 23.14697 
1 1 1  -63    5    2 o  138.045   9.9850  7802.08  1111.65  7830.04  1242.83  7690.21  2486.04  138.147   11.176  134.533   23.620 3.613205 26.13039 
1 1 1  -63    5    3 o  213.056   11.594 18567.78  1998.10 17571.62  2308.86 21539.28  3987.69  206.913   13.822  227.485   21.858 -20.57243 25.86164 
1 1 1  -63    5    4 o  207.665   14.492 17724.76  2428.33 18634.23  2920.11 15685.78  4372.31  212.459   17.071  191.718   28.993 20.74149 33.64524 
1 1 1  -63    5    5 o  186.674   16.151 14393.36  2423.96 14393.36  2423.96   0.0000   0.0000  186.674   16.151  ?   ?  0.000000 16.15112 
1 1 1  -63    5    6 o  517.170   26.980 112162.20 11290.32 100910.30 16096.33 123059.40 15840.58  479.994   41.715  534.661   36.711 -54.66684 55.56820 
1 1 1  -63    5    7 o  149.092   12.652  9154.20  1517.15   0.0000   0.0000  9154.20  1517.15  ?   ?   149.092   12.652 0.000000 12.65188 
1 1 1  -63    5    8 o  389.498   19.226 62755.70  6080.32 67073.03  8732.12 58692.19  8471.55  398.191   27.170  371.750   28.278 26.44119 39.21524 
1 1 1  -63    5    9 o   61.595   10.619  1593.85  511.929  1171.95  890.099  1802.39  625.787   54.135   17.641   65.304   12.252 -11.16844 21.47790 
1 1 1  -63    5   10 o  187.170   11.214 14398.26  1696.44 15907.11  2524.89 13156.61  2290.46  195.562   16.042  177.735   16.044 17.82785 22.68845 
1 1 1  -63    5   11 o  241.034   13.625 24043.31  2655.65 24061.37  3885.28 24027.49  3638.19  238.422   20.262  238.878   18.912 -0.4556122 27.71625 
1 1 1  -63    5   12 o  298.513   16.359 37383.07  3949.92 35723.69  5690.03 38926.44  5487.52  285.956   24.750  300.252   22.676 -14.29587 33.56757 
1 1 1  -63    5   13 o  172.031   9.5046 12210.75  1322.48  9547.13  2548.25 13192.62  1547.15  146.902   22.044  178.449   10.728 -31.54735 24.51573 
1 1 1  -63    5   14 o   67.264   7.7083  1880.57  413.399 -217.2233  1172.58  2178.33  441.764   40.910   18.051   72.472   7.6214 -31.56198 19.59417 
1 1 1  -63    5   15 o  123.104   8.3028  6276.41  825.074  5072.85  1784.50  6603.65  930.506  104.792   21.687  126.022   9.1561 -21.22968 23.54086 
1 1 1  -63    5   16 o  182.827   9.7949 13971.74  1448.77 13808.82  2835.70 14029.28  1685.33  173.701   20.501  182.255   11.447 -8.553680 23.47991 
1 1 1  -63    5   17 o   64.902   8.8340  1785.33  453.444  2789.92  1395.26  1666.70  479.470   75.657   21.628   62.377   9.7889 13.27981 23.74031 
1 1 1  -63    5   18 o   97.834   8.5142  4033.23  669.602  5724.15  1755.88  3745.48  724.339  108.199   20.741   93.769   9.6515 14.43035 22.87677 
1 1 1  -63    5   19 o  ?   ?  -655.3748  164.419 -3006.9590  1372.75 -621.1491  165.611   28.986   14.455  ?   ?  0.000000 14.45547 
1 1 1  -63    5   20 o   72.287   10.022  2302.10  572.394  2043.41  1785.81  2331.72  604.275   60.111   24.081   72.442   10.586 -12.33029 26.30486 
1 1 1  -63    5   21 o   46.705   12.027  1039.05  458.859  4257.10  1832.70  823.831  473.955   77.568   25.315   41.486   12.796 36.08267 28.36475 
1 1 1  -63    5   22 o   23.067   10.222 -24.6602  379.938 -2588.4880  1855.29   87.566  388.165   32.819   16.433   24.948   10.700 7.871326 19.60941 
1 1 1  -63    5   23 o   55.691   13.049  1672.19  579.729 -858.3436  2181.63  1864.45  601.349   36.053   18.017   59.126   12.890 -23.07265 22.15326 
1 1 1  -63    7    1 o  411.057   33.800 71646.66 11181.29   0.0000   0.0000 71646.66 11181.29  ?   ?   411.057   33.800 0.000000 33.79994 
1 1 1  -63    7    3 o  279.230   16.504 32073.98  3725.19 32073.98  3725.19   0.0000   0.0000  279.230   16.504  ?   ?  0.000000 16.50369 
1 1 1  -63    7    4 o   86.745   12.793  3138.82  874.010  3138.82  874.010   0.0000   0.0000   86.745   12.793  ?   ?  0.000000 12.79293 
1 1 1  -63    7    5 o  408.845   30.278 70733.52  9980.01 70733.52  9980.01   0.0000   0.0000  408.845   30.278  ?   ?  0.000000 30.27839 
1 1 1  -63    7    6 o  154.780   14.953  9910.48  1855.89  9910.48  1855.89   0.0000   0.0000  154.780   14.953  ?   ?  0.000000 14.95344 
1 1 1  -63    7    7 o  111.244   8.3705  5069.56  750.538  7180.78  1265.47  3923.96  932.186  132.009   11.935   97.240   12.066 34.76937 16.97153 
1 1 1  -63    7    8 o  164.405   10.579 11085.62  1404.70  9994.32  2200.96 11835.63  1824.63  154.577   17.865  169.400   13.374 -14.82285 22.31666 
1 1 1  -63    7    9 o  185.302   11.265 14103.84  1686.93 13433.06  2583.67 14602.29  2227.18  179.210   17.999  187.801   14.724 -8.591095 23.25385 
1 1 1  -63    7   10 o  169.502   11.067 11823.48  1514.82  9723.37  2325.13 13372.25  1996.73  151.462   19.348  179.665   13.793 -28.20229 23.76114 
1 1 1  -63    7   11 o  240.779   13.851 24054.45  2696.52 21941.96  3975.30 25854.83  3669.89  226.300   21.909  247.668   18.380 -21.36853 28.59776 
1 1 1  -63    7   12 o  154.200   8.1740  9761.46  1019.77 10520.76  2066.08  9516.90  1172.56  157.564   16.389  151.943   9.5528 5.621857 18.96986 
1 1 1  -63    7   13 o  169.708   8.7157 11865.25  1196.96 12658.98  2364.11 11591.64  1388.01  171.826   17.175  167.263   10.270 4.562241 20.01124 
1 1 1  -63    7   14 o  155.795   8.7507 10033.88  1102.48  8328.35  2240.69 10578.66  1266.38  136.268   20.920  159.616   9.8188 -23.34792 23.10925 
1 1 1  -63    7   15 o   82.306   8.3204  2823.24  548.409  2091.49  1389.01  2958.37  596.902   67.882   22.033   84.126   8.8723 -16.24335 23.75198 
1 1 1  -63    7   16 o   95.213   8.1452  3778.31  623.638  2041.75  1582.07  4097.79  678.584   66.863   23.506   99.066   8.5189 -32.20292 25.00185 
1 1 1  -63    7   17 o  146.921   9.1809  9062.71  1089.74  6920.92  2308.66  9676.72  1236.12  116.581   25.129  151.304   10.120 -34.72262 27.09040 
1 1 1  -63    7   18 o   36.543   11.899  566.726  405.026  869.252  1433.52  540.481  422.229   51.506   21.223   36.086   12.163 15.42003 24.46094 
1 1 1  -63    7   19 o   69.700   9.5300  2105.65  525.210  1576.80  1700.34  2161.43  552.214   57.914   23.393   70.447   9.9294 -12.53310 25.41268 
1 1 1  -63    7   20 o   57.965   11.760  1543.49  534.590  2181.09  1776.63  1480.02  560.569   60.603   24.105   56.287   12.582 4.315945 27.19083 
1 1 1  -63    7   21 o   21.970   9.4710   21.191  307.073 -1464.8101  1774.43   67.067  311.777   36.836   17.994   22.933   9.7036 13.90302 20.44374 
1 1 1  -63    7   22 o   35.835   12.405  627.821  439.789 -71.9159  2031.63  662.223  450.470   40.621   19.709   36.599   12.561 4.022160 23.37163 
1 1 1  -63    9    1 o  286.370   27.442 34481.68  6302.75   0.0000   0.0000 34481.68  6302.75  ?   ?   286.370   27.442 0.000000 27.44195 
1 1 1  -63    9    2 o  426.471   35.595 77766.92 12213.30   0.0000   0.0000 77766.92 12213.30  ?   ?   426.471   35.595 0.000000 35.59531 
1 1 1  -63    9    3 o  341.397   31.320 49477.36  8585.15   0.0000   0.0000 49477.36  8585.15  ?   ?   341.397   31.320 0.000000 31.31979 
1 1 1  -63    9    4 o  137.704   13.000  7819.22  1436.39  6952.15  1578.72 11987.92  3461.62  129.359   15.328  167.635   26.297 -38.27603 30.43826 
1 1 1  -63    9    5 o  419.303   31.299 74807.81 10579.14 74807.81 10579.14   0.0000   0.0000  419.303   31.299  ?   ?  0.000000 31.29862 
1 1 1  -63    9    6 o  321.352   24.663 43377.67  6386.28 43377.67  6386.28   0.0000   0.0000  321.352   24.663  ?   ?  0.000000 24.66350 
1 1 1  -63    9    7 o  175.837   16.305 12835.02  2301.47 12835.02  2301.47   0.0000   0.0000  175.837   16.305  ?   ?  0.000000 16.30518 
1 1 1  -63    9    8 o  399.509   29.192 68480.17  9403.88   0.0000   0.0000 68480.17  9403.88  ?   ?   399.509   29.192 0.000000 29.19173 
1 1 1  -63    9    9 o  294.272   16.003 35909.55  3809.40 33702.80  5586.62 37827.26  5207.92  281.009   24.737  299.538   21.557 -18.52844 32.81161 
1 1 1  -63    9   10 o  192.256   9.2313 15120.74  1441.05 13144.38  2809.34 15826.44  1678.73  175.787   20.041  196.182   10.578 -20.39555 22.66093 
1 1 1  -63    9   11 o  140.432   10.216  8142.42  1156.93  8074.06  1924.33  8181.11  1447.81  137.620   17.626  140.087   12.872 -2.466904 21.82599 
1 1 1  -63    9   12 o   22.766   9.0256  114.630  248.328 -297.8252  939.294  145.625  257.490   35.940   15.992   23.826   9.2666 12.11403 18.48266 
1 1 1  -63    9   13 o   52.703   9.2107  1176.52  379.808   25.614  1261.72  1291.20  398.282   44.534   19.198   55.277   9.1970 -10.74278 21.28728 
1 1 1  -63    9   14 o  175.174   9.1870 12716.74  1302.15 13136.66  2665.23 12585.08  1492.40  172.233   19.396  173.664   10.635 -1.431381 22.12001 
1 1 1  -63    9   15 o  170.875   9.2864 12153.73  1283.60 11201.34  2593.97 12462.56  1477.13  156.497   20.939  172.399   10.604 -15.90219 23.47040 
1 1 1  -63    9   16 o  183.168   9.6851 14061.51  1435.32 15219.78  2874.15 13676.68  1656.69  181.998   19.767  179.546   11.423 2.451630 22.83056 
1 1 1  -63    9   17 o  100.063   8.5196  4206.88  685.612  2423.30  1805.01  4507.60  741.160   69.671   25.042  103.441   8.9113 -33.77000 26.58012 
1 1 1  -63    9   18 o   19.851   9.0102 -163.4958  315.275 -368.4884  1465.54 -153.5486  322.833   42.104   19.232   20.269   9.1669 21.83473 21.30528 
1 1 1  -63    9   19 o   75.616   9.7721  2489.53  585.945  2012.16  1839.33  2543.45  618.150   61.314   24.483   76.191   10.252 -14.87691 26.54262 
1 1 1  -63    9   20 o  109.962   10.036  5336.41  886.218  4937.98  2310.92  5405.11  959.584   80.751   28.407  109.902   10.897 -29.15110 30.42574 
1 1 1  -63    9   21 o   57.301   14.320  1677.93  664.407  2691.76  2109.68  1566.30  700.029   57.535   24.814   54.545   15.225 2.989979 29.11230 
1 1 1  -63    9   22 o   35.596   13.659  616.565  553.790  1687.91  1820.65  507.337  581.335   46.607   21.344   33.994   13.697 12.61242 25.36082 
1 1 1  -63   11    1 o  360.816   31.764 55359.58  9210.93   0.0000   0.0000 55359.58  9210.93  ?   ?   360.816   31.764 0.000000 31.76359 
1 1 1  -63   11    2 o  395.684   34.371 67081.40 10933.21   0.0000   0.0000 67081.40 10933.21  ?   ?   395.684   34.371 0.000000 34.37135 
1 1 1  -63   11    3 o  438.475   37.477 83263.05 13214.57   0.0000   0.0000 83263.05 13214.57  ?   ?   438.475   37.477 0.000000 37.47678 
1 1 1  -63   11    4 o  419.881   37.184 76575.85 12545.89   0.0000   0.0000 76575.85 12545.89  ?   ?   419.881   37.184 0.000000 37.18363 
1 1 1  -63   11    5 o  230.744   15.688 21976.06  2921.72 16120.45  3442.26 37065.10  5525.72  195.783   22.037  297.441   23.060 -101.6581 31.89632 
1 1 1  -63   11    6 o  111.317   15.528  5191.01  1365.27  5191.01  1365.27   0.0000   0.0000  111.317   15.528  ?   ?  0.000000 15.52777 
1 1 1  -63   11    7 o  268.321   22.170 30300.51  4786.94 30300.51  4786.94   0.0000   0.0000  268.321   22.170  ?   ?  0.000000 22.17031 
1 1 1  -63   11    9 o  230.372   11.093 21776.71  2075.02 13507.00  3929.88 24973.55  2443.40  174.429   28.749  246.427   12.211 -71.99733 31.23513 
1 1 1  -63   11   10 o  122.229   7.1895  6119.85  710.388  8168.49  1652.74  5655.59  786.774  139.479   14.820  117.304   8.3142 22.17476 16.99327 
1 1 1  -63   11   11 o   14.805   6.8137 -144.7591  188.713 -783.9805  982.852 -120.2915  192.291   33.116   15.350   15.406   7.0096 17.71061 16.87497 
1 1 1  -63   11   12 o   95.720   7.3256  3773.71  565.035  4469.28  1510.42  3660.53  609.274  100.512   19.207   94.124   8.0495 6.387321 20.82600 
1 1 1  -63   11   13 o  130.739   8.0389  7053.04  849.239  8061.63  1960.52  6820.09  942.225  135.557   18.278  128.261   9.1066 7.296555 20.42082 
1 1 1  -63   11   14 o   83.960   10.404  2975.98  694.048  393.231  1446.41  3748.52  791.068   49.836   20.983   94.330   10.507 -44.49399 23.46699 
1 1 1  -63   11   15 o  106.616   10.491  4800.61  896.432  2533.10  1763.71  5590.42  1040.91   73.024   24.857  114.774   11.317 -41.75036 27.31152 
1 1 1  -63   11   16 o  151.710   11.475  9816.02  1403.04 10381.36  2463.40  9544.57  1706.96  148.161   21.071  147.565   14.431 0.5960541 25.53863 
1 1 1  -63   11   17 o  131.015   11.609  7413.29  1222.16  6528.99  2277.58  7770.88  1448.34  110.690   25.815  132.689   13.637 -21.99906 29.19588 
1 1 1  -63   11   18 o   85.492   11.457  3216.07  775.305  1632.88  1961.03  3509.38  844.073   60.015   24.785   89.049   11.978 -29.03428 27.52777 
1 1 1  -63   11   19 o   49.930   13.837  1181.80  580.408 -3123.9031  1849.80  1651.98  611.277   34.553   17.157   59.562   13.004 -25.00897 21.52833 
1 1 1  -63   11   20 o   73.936   13.520  2623.37  781.732  2294.40  1899.13  2690.48  857.772   58.698   24.328   73.757   14.837 -15.05936 28.49561 
1 1 1  -63   11   21 o   47.854   12.997  1157.78  518.078 -4020.1890  2230.05  1453.19  532.651   33.365   16.872   54.276   12.363 -20.91085 20.91629 
1 1 1  -63   11   22 o   45.272   14.634  1182.85  613.228  2088.68  2504.88  1125.10  632.474   45.401   21.995   43.927   14.885 1.473614 26.55823 
1 1 1  -63   13    1 o  432.910   36.809 81401.41 12816.07   0.0000   0.0000 81401.41 12816.07  ?   ?   432.910   36.809 0.000000 36.80943 
1 1 1  -63   13    2 f  369.275   33.749 58805.25 10007.37   0.0000   0.0000 58805.25 10007.37  ?   ?   369.275   33.749 0.000000 33.74890 
1 1 1  -63   13    3 o  455.057   39.507 91210.45 14452.45   0.0000   0.0000 91210.45 14452.45  ?   ?   455.057   39.507 0.000000 39.50653 
1 1 1  -63   13    4 o  556.388   47.661 141728.80 21323.84   0.0000   0.0000 141728.80 21323.84  ?   ?   556.388   47.661 0.000000 47.66084 
1 1 1  -63   13    5 o  351.049   20.381 51414.41  5784.43 35578.75  7476.94 75021.10  9129.01  285.589   32.841  420.260   26.894 -134.6707 42.44806 
1 1 1  -63   13    6 o  223.394   21.309 21036.07  3818.31 21036.07  3818.31   0.0000   0.0000  223.394   21.309  ?   ?  0.000000 21.30887 
1 1 1  -63   13    7 o  286.387   18.436 34284.29  4264.22 22576.80  6402.68 43616.87  5716.51  222.677   36.690  321.235   22.050 -98.55878 42.80598 
1 1 1  -63   13    8 o  140.872   10.782  8186.71  1223.86  5316.69  2143.93  9574.05  1490.59  109.501   24.701  152.090   12.172 -42.58945 27.53762 
1 1 1  -63   13    9 o  316.772   16.882 42097.04  4326.42 44030.12  6454.89 40520.26  5829.74  317.807   25.221  306.086   23.640 11.72134 34.56833 
1 1 1  -63   13   10 o   54.114   9.7079  1238.78  410.883 -358.7820  1205.47  1448.78  437.054   40.767   18.129   58.672   9.4988 -17.90507 20.46699 
1 1 1  -63   13   11 o   66.223   10.811  1857.30  561.265  2170.89  1393.97  1796.62  613.164   70.296   21.988   64.801   12.098 5.495316 25.09644 
1 1 1  -63   13   12 o  106.151   10.655  4714.80  906.004  2772.74  1847.86  5329.41  1039.53   78.089   25.416  112.645   11.528 -34.55624 27.90804 
1 1 1  -63   13   13 o   75.470   11.343  2425.87  673.567  1711.61  1512.26  2602.64  752.312   64.032   22.931   77.923   12.298 -13.89066 26.02091 
1 1 1  -63   13   14 o  159.404   12.034 10763.07  1546.07  9685.26  2652.61 11317.59  1902.67  143.161   23.645  161.906   14.631 -18.74538 27.80600 
1 1 1  -63   13   15 o  212.665   14.011 19567.64  2405.82 20073.17  3915.77 19261.10  3049.20  203.737   24.140  206.513   18.376 -2.775421 30.33873 
1 1 1  -63   13   16 o  102.895   9.1858  4468.60  759.376  3662.87  2078.78  4592.68  815.753   82.448   26.963  104.068   9.7682 -21.61944 28.67806 
1 1 1  -63   13   17 o  111.875   9.4537  5327.70  850.724  4736.42  2303.24  5421.11  915.459   89.524   28.301  112.476   10.133 -22.95246 30.06027 
1 1 1  -63   13   18 o   85.058   11.303  3199.89  761.287  2242.41  2139.40  3338.71  814.606   63.918   26.084   86.533   11.909 -22.61418 28.67400 
1 1 1  -63   13   19 o  132.885   10.408  7794.95  1114.01  9140.69  2834.39  7549.09  1211.51  113.121   30.265  129.474   11.649 -16.35317 32.42981 
1 1 1  -63   13   20 o   95.791   13.572  4454.57  1026.07  1299.62  2673.41  4999.61  1111.18   51.450   24.314  101.146   13.897 -49.69666 28.00505 
1 1 1  -63   13   21 o   50.640   16.915  1535.90  816.600  5142.38  2634.50  1152.57  858.902   62.263   27.278   44.449   17.021 17.81415 32.15241 
1 1 1  -63   15    1 o  344.536   32.787 51644.07  9061.68   0.0000   0.0000 51644.07  9061.68  ?   ?   344.536   32.787 0.000000 32.78722 
1 1 1  -63   15    2 o  108.131   34.082  5091.84  3342.19   0.0000   0.0000  5091.84  3342.19  ?   ?   108.131   34.082 0.000000 34.08183 
1 1 1  -63   15    3 o  178.410   33.510 14208.53  4676.11   0.0000   0.0000 14208.53  4676.11  ?   ?   178.410   33.510 0.000000 33.50995 
1 1 1  -63   15    6 o  101.004   20.777  4437.36  1647.10  4437.36  1647.10   0.0000   0.0000  101.004   20.777  ?   ?  0.000000 20.77707 
1 1 1  -63   15    7 o  169.449   12.549 11898.03  1714.29  7723.29  2969.70 13984.42  2099.40  130.549   28.789  183.275   14.219 -52.72542 32.10927 
1 1 1  -63   15    8 o  178.235   12.653 13193.96  1819.23  9994.81  3080.19 14907.79  2254.47  149.392   26.356  188.742   14.830 -39.34932 30.24212 
1 1 1  -63   15    9 o  142.834   11.069  8465.65  1273.69  7816.48  2305.21  8750.92  1528.13  133.055   22.114  144.602   13.159 -11.54700 25.73268 
1 1 1  -63   15   10 f  106.199   7.6349  4643.65  653.969  2876.45  1930.22  4872.81  695.078   80.149   25.969  108.743   7.9268 -28.59386 27.15183 
1 1 1  -63   15   11 o   53.630   9.5601  1221.05  401.042  849.351  1437.23  1252.43  417.630   54.626   21.695   54.268   9.8402 0.3580055 23.82257 
1 1 1  -63   15   12 o   99.165   7.8443  4068.84  626.452  4478.07  1758.16  4009.34  670.455   98.193   22.530   98.276   8.4853 -0.8261871E-01 24.07468 
1 1 1  -63   15   13 o   23.310   9.9045   15.148  327.027  282.959  1417.61   0.0941  336.092   48.349   20.584   23.359   9.9856 24.99077 22.87840 
1 1 1  -63   15   14 o   95.252   8.7186  3795.94  666.833  2762.99  2001.78  3924.88  707.227   75.437   26.445   96.739   9.1110 -21.30188 27.97038 
1 1 1  -63   15   15 o   60.136   10.266  1560.83  483.285  589.742  1859.44  1631.19  500.485   54.410   23.379   61.461   10.400 -7.051285 25.58814 
1 1 1  -63   15   16 o   57.053   12.019  1449.30  539.205  1562.06  2003.69  1440.50  559.858   61.461   25.180   56.703   12.497 4.757675 28.11082 
1 1 1  -63   15   17 o  111.364   9.7977  5327.45  876.922  4730.42  2590.70  5404.70  931.933   84.866   30.054  111.801   10.385 -26.93581 31.79745 
1 1 1  -63   15   18 o  110.316   10.696  5360.70  946.062  2796.51  2751.68  5704.44  1007.48   65.538   28.302  113.511   11.072 -47.97265 30.39043 
1 1 1  -63   15   19 o   46.924   15.683  1106.40  701.939 -440.8551  2520.56  1236.48  730.851   46.664   22.472   49.187   15.983 -2.522396 27.57599 
1 1 1  -63   15   20 o   55.064   17.623  1773.00  891.018  2847.62  2884.36  1659.63  936.838   54.272   25.527   52.758   18.114 1.513615 31.30056 
1 1 1  -63   15   21 f   27.172   12.490 -96.8639  631.472  3880.70  3041.97 -275.9846  645.534   50.070   24.252   25.895   12.146 24.17512 27.12390 
1 1 1  -63   17    5 o   87.818   35.770  2119.56  4013.86   0.0000   0.0000  2119.56  4013.86  ?   ?    87.818   35.770 0.000000 35.76981 
1 1 1  -63   17    6 o  331.860   18.371 46504.64  4931.02 27723.37  8813.70 55061.86  5949.24  230.722   48.582  359.539   20.463 -128.8168 52.71621 
1 1 1  -63   17    7 o   72.533   9.8788  2200.06  566.672  2540.35  1469.85  2140.65  614.148   75.919   22.345   71.294   10.960 4.625198 24.88828 
1 1 1  -63   17    8 o   53.183   12.037  1216.76  507.690   0.0000   0.0000  1216.76  507.690  ?   ?    53.183   12.037 0.000000 12.03728 
1 1 1  -63   17    9 o  282.087   17.804 34062.23  4057.04 29810.61  6371.48 36961.62  5261.57  250.007   32.131  289.461   22.565 -39.45370 39.26259 
1 1 1  -63   17   10 o  268.706   17.128 30996.84  3717.47 27351.62  5820.08 33508.84  4831.46  238.705   30.743  274.866   21.828 -36.16103 37.70359 
1 1 1  -63   17   11 o   82.058   8.0873  2797.20  531.837  214.959  1795.02  3045.70  556.839   53.153   22.906   85.654   8.1028 -32.50038 24.29714 
1 1 1  -63   17   12 o   66.504   9.0533  1863.25  476.164  600.783  1738.37  1965.66  495.100   54.911   23.056   68.311   9.1567 -13.39939 24.80779 
1 1 1  -63   17   13 o  116.862   8.7580  5696.60  824.988  3386.93  2446.25  5993.00  876.326   81.972   29.185  119.762   9.0793 -37.79047 30.56494 
1 1 1  -63   17   14 o   44.380   12.486  867.093  468.844 -154.1297  1842.06  937.832  484.810   49.519   22.188   46.059   12.599 3.460541 25.51536 
1 1 1  -63   17   15 o   55.358   11.638  1356.17  506.517  1640.98  2047.60  1337.60  522.765   62.757   25.553   54.827   12.070 7.930012 28.26054 
1 1 1  -63   17   16 o   57.744   12.096  1497.76  548.972 -971.0433  2521.36  1620.62  562.466   50.106   23.658   60.195   11.930 -10.08885 26.49582 
1 1 1  -63   17   17 o  107.097   10.498  5013.55  901.122  8924.56  3121.23  4657.92  941.200  111.879   32.457  102.477   11.510 9.401642 34.43796 
1 1 1  -63   17   18 o   53.617   17.641  1501.32  889.313  7313.58  2652.87  765.467  943.932   97.681   30.297   43.306   17.451 54.37458 34.96343 
1 1 1  -63   17   19 f   85.428   17.246  3931.82  1155.06  4067.65  3149.56  3910.71  1241.56   61.002   27.987   83.089   18.837 -22.08667 33.73591 
1 1 1  -63   17   20 o   59.846   17.763  2205.70  925.622  5448.77  3278.13  1924.74  964.885   57.309   27.034   54.624   18.386 2.684177 32.69361 
1 1 1  -63   19    2 o  162.889   35.980 12599.61  4631.71   0.0000   0.0000 12599.61  4631.71  ?   ?   162.889   35.980 0.000000 35.97968 
1 1 1  -63   19    3 o  117.932   39.088  6641.81  4363.28   0.0000   0.0000  6641.81  4363.28  ?   ?   117.932   39.088 0.000000 39.08785 
1 1 1  -63   19    4 o  125.630   35.435  7606.18  3771.28   0.0000   0.0000  7606.18  3771.28  ?   ?   125.630   35.435 0.000000 35.43495 
1 1 1  -63   19    5 f   37.595   10.106  601.025  315.128   0.0000   0.0000  601.025  315.128  ?   ?    37.595   10.106 0.000000 10.10560 
1 1 1  -63   19    6 f   51.793   10.462  1143.96  424.805  951.029  1679.00  1157.15  439.092   58.939   23.436   52.049   10.746 6.889782 25.78232 
1 1 1  -63   19    7 o  105.628   11.339  4667.95  957.315  3180.19  2204.60  5013.67  1062.74   84.087   27.780  109.268   12.186 -25.18147 30.33539 
1 1 1  -63   19    8 o   36.980   12.487  535.293  445.082   0.0000   0.0000  535.293  445.082  ?   ?    36.980   12.487 0.000000 12.48724 
1 1 1  -63   19    9 o  128.514   12.342  6957.72  1272.03  6344.53  2662.73  7139.04  1447.93  114.274   28.728  129.538   13.988 -15.26387 31.95289 
1 1 1  -63   19   10 o  128.411   12.428  6976.35  1279.57  7428.37  2807.06  6857.78  1437.62  122.839   28.667  126.520   14.242 -3.681145 32.00942 
1 1 1  -63   19   11 o  144.278   12.307  8825.49  1427.99  3590.37  3118.39 10214.54  1606.30   85.859   32.538  154.980   12.881 -69.12180 34.99479 
1 1 1  -63   19   12 o  222.368   11.345 20866.15  2041.51 17485.65  4647.52 21674.40  2272.49  180.596   32.906  225.781   12.444 -45.18533 35.18050 
1 1 1  -63   19   13 o  137.222   9.5576  7914.34  1058.26  1625.07  3042.80  8779.76  1128.72   69.486   29.884  144.500   9.6760 -75.01405 31.41137 
1 1 1  -63   19   14 o  162.309   9.9182 11152.66  1300.84 10125.74  3578.10 11309.07  1396.39  128.699   33.804  162.969   10.611 -34.26953 35.43042 
1 1 1  -63   19   15 o  117.000   9.5446  5834.78  898.833  3056.07  2856.33  6140.18  946.939   72.922   29.992  119.880   9.8144 -46.95795 31.55678 
1 1 1  -63   19   16 o  133.122   9.8664  7644.92  1058.87  6948.08  3221.08  7729.35  1121.19   94.768   33.517  133.400   10.434 -38.63245 35.10330 
1 1 1  -63   19   17 o   33.081   14.593   28.102  765.939  371.060  2670.03  -2.6509  799.543   52.230   24.564   33.366   14.805 18.86370 28.68070 
1 1 1  -63   19   18 o   59.698   18.545  2025.83  993.554  353.982  2883.05  2251.14  1058.39   49.417   23.857   62.417   19.100 -13.00048 30.56061 
1 1 1  -63   19   19 o   45.395   16.900  1173.63  833.387  1191.11  3127.17  1172.29  864.657   47.649   23.402   45.286   17.140 2.363064 29.00772 
1 1 1  -63   21    1 o   70.723   28.015  1510.58  2390.75   0.0000   0.0000  1510.58  2390.75  ?   ?    70.723   28.015 0.000000 28.01511 
1 1 1  -63   21    2 o  136.914   33.825  9043.99  3738.41   0.0000   0.0000  9043.99  3738.41  ?   ?   136.914   33.825 0.000000 33.82535 
1 1 1  -63   21    3 o  165.558   36.121 13444.78  4719.13   0.0000   0.0000 13444.78  4719.13  ?   ?   165.558   36.121 0.000000 36.12104 
1 1 1  -63   21    4 o  132.167   40.676  9121.71  4792.49   0.0000   0.0000  9121.71  4792.49  ?   ?   132.167   40.676 0.000000 40.67617 
1 1 1  -63   21    5 o  263.292   19.838 29998.47  4209.96   0.0000   0.0000 29998.47  4209.96  ?   ?   263.292   19.838 0.000000 19.83833 
1 1 1  -63   21    6 o  115.538   12.588  5623.75  1161.78  2203.73  3151.19  6161.74  1249.82   79.681   31.964  120.877   12.935 -41.19588 34.48236 
1 1 1  -63   21    7 o  140.800   13.645  8393.78  1540.40  4772.47  3662.15  9172.20  1697.90   98.597   35.639  146.893   14.421 -48.29678 38.44616 
1 1 1  -63   21    8 o  191.984   16.090 15846.44  2485.11  9575.10  4725.95 18243.29  2921.66  129.724   40.471  204.876   17.738 -75.15210 44.18719 
1 1 1  -63   21    9 o  210.188   16.370 19127.12  2771.76 15613.02  5158.44 20553.54  3286.51  167.605   38.689  215.683   18.959 -48.07805 43.08467 
1 1 1  -63   21   10 o  205.759   15.891 18395.30  2634.39 16716.52  4874.71 19087.86  3130.98  175.338   35.459  206.926   18.841 -31.58832 40.15350 
1 1 1  -63   21   11 o   78.879   30.777  2974.44  2847.27  2974.44  2847.27   0.0000   0.0000   78.879   30.777  ?   ?  0.000000 30.77661 
1 1 1  -63   21   12 o   87.203   8.9414  3201.92  624.154  607.949  2835.59  3334.00  639.846   62.678   27.842   88.987   8.9782 -26.30863 29.25406 
1 1 1  -63   21   13 o  131.506   9.1349  7287.75  969.356  6713.90  3470.03  7336.32  1009.55  101.003   34.851  131.750   9.5008 -30.74654 36.12261 
1 1 1  -63   21   14 o  166.927   10.521 11952.99  1418.74  8024.47  4242.77 12447.56  1505.40   99.159   37.863  169.966   10.967 -70.80721 39.41934 
1 1 1  -63   21   15 o  119.692   9.3318  6143.56  899.755  8346.60  3565.59  5993.73  929.847  101.835   35.317  117.895   9.8024 -16.05997 36.65173 
1 1 1  -63   21   16 o   86.074   16.491  3664.49  1110.60  1579.42  3137.67  3963.14  1187.48   58.798   27.314   89.058   17.042 -30.25985 32.19489 
1 1 1  -63   21   17 o   44.158   17.465  913.779  927.833 -1075.2350  3130.88  1105.28  971.472   47.138   23.203   46.746   18.050 0.3917999 29.39697 
1 1 1  -63   21   18 o   66.396   20.235  2839.97  1189.52  5163.82  4029.44  2618.12  1245.00   57.420   27.837   62.273   20.886 -4.853191 34.80074 
1 1 1  -63   23    1 o  155.140   37.320 12240.06  4643.80   0.0000   0.0000 12240.06  4643.80  ?   ?   155.140   37.320 0.000000 37.31981 
1 1 1  -63   23    2 o  194.389   38.800 19353.27  5909.49   0.0000   0.0000 19353.27  5909.49  ?   ?   194.389   38.800 0.000000 38.79953 
1 1 1  -63   23    3 o  126.457   38.952  8468.95  4393.79   0.0000   0.0000  8468.95  4393.79  ?   ?   126.457   38.952 0.000000 38.95226 
1 1 1  -63   23    4 o   95.683   12.818  3886.49  970.842   0.0000   0.0000  3886.49  970.842  ?   ?    95.683   12.818 0.000000 12.81830 
1 1 1  -63   23    5 o  104.984   13.605  4699.47  1132.43   0.0000   0.0000  4699.47  1132.43  ?   ?   104.984   13.605 0.000000 13.60461 
1 1 1  -63   23    6 o   60.237   14.513  1594.61  701.421  4262.75  3112.65  1451.87  719.939   93.145   32.947   57.426   15.202 35.71818 36.28508 
1 1 1  -63   23    7 o  153.185   14.652 10060.19  1800.16  4691.47  4696.38 10984.85  1949.02   96.760   38.949  159.805   15.204 -63.04482 41.81145 
1 1 1  -63   23    8 o  128.562   15.435  7186.18  1579.00 -407.3020  4176.44  8452.62  1705.60   70.390   32.270  139.629   15.294 -69.23873 35.71045 
1 1 1  -63   23    9 o   69.159   16.631  2164.93  922.449  112.120  2795.50  2415.76  977.182   61.504   27.461   73.042   16.823 -11.53843 32.20465 
1 1 1  -63   23   10 o  152.046   16.517 10271.95  2006.35  2839.22  4478.40 12138.38  2244.16   81.689   35.682  164.983   16.996 -83.29464 39.52287 
1 1 1  -63   23   11 o  135.338   15.955  8193.21  1719.65  2480.94  4118.98  9399.04  1892.47   76.883   33.883  144.679   16.399 -67.79542 37.64272 
1 1 1  -63   23   12 o  130.791   9.7986  7258.19  1033.03  1743.00  4081.33  7635.71  1067.80   71.275   32.377  134.121   9.8747 -62.84543 33.84975 
1 1 1  -63   23   13 o   78.727   9.1711  2651.11  575.263  3080.89  3570.10  2639.66  582.880   73.033   31.881   78.486   9.3290 -5.453545 33.21795 
1 1 1  -63   23   14 o   69.605   10.125  2121.67  555.446  5952.11  3732.91  2034.95  561.699   83.408   34.293   67.953   10.520 15.45470 35.87073 
1 1 1  -63   23   15 o   83.525   19.154  3679.81  1271.32  2358.80  3734.17  3853.00  1352.09   62.180   29.182   84.601   19.999 -22.42096 35.37672 
1 1 1  -63   23   16 o   52.412   19.248  1537.03  1074.38  3761.32  3704.33  1332.73  1122.64   61.515   28.932   49.806   19.355 11.70917 34.80916 
1 1 1  -63   23   17 o   53.306   19.905  1831.62  1157.72  5683.91  4266.38  1525.40  1202.86   58.480   28.418   49.525   19.790 8.955872 34.62994 
1 1 1  -63   25    1 o   94.589   35.960  4231.29  3816.52   0.0000   0.0000  4231.29  3816.52  ?   ?    94.589   35.960 0.000000 35.96017 
1 1 1  -63   25    2 o   61.106   28.016 -1101.7280  3148.80   0.0000   0.0000 -1101.7280  3148.80  ?   ?    61.106   28.016 0.000000 28.01571 
1 1 1  -63   25    3 o  116.874   38.676  7576.79  4272.52   0.0000   0.0000  7576.79  4272.52  ?   ?   116.874   38.676 0.000000 38.67642 
1 1 1  -63   25    4 o  139.784   15.240  8416.27  1701.76   0.0000   0.0000  8416.27  1701.76  ?   ?   139.784   15.240 0.000000 15.24042 
1 1 1  -63   25    5 o   58.340   16.528  1512.50  818.563   0.0000   0.0000  1512.50  818.563  ?   ?    58.340   16.528 0.000000 16.52754 
1 1 1  -63   25    6 o   33.090   13.931  102.568  637.381  887.227  4156.65   83.674  645.010   75.072   33.505   33.018   13.963 42.05389 36.29815 
1 1 1  -63   25    7 o   52.760   16.897  1214.15  818.959   0.0000   0.0000  1214.15  818.959  ?   ?    52.760   16.897 0.000000 16.89676 
1 1 1  -63   25    8 o   99.268   16.598  4421.95  1290.62 -858.9319  4285.07  4948.80  1353.46   67.382   31.507  105.257   16.368 -37.87431 35.50501 
1 1 1  -63   25    9 o  126.386   16.270  7151.87  1630.90  6773.27  5001.49  7196.92  1725.19   98.548   40.009  126.042   17.315 -27.49404 43.59532 
1 1 1  -63   25   10 o  105.566   41.352  8962.69  5155.87  8962.69  5155.87   0.0000   0.0000  105.566   41.352  ?   ?  0.000000 41.35229 
1 1 1  -63   25   11 f  128.151   17.486  7657.54  1772.04  4921.27  4292.58  8219.64  1945.55   83.767   35.745  131.624   18.733 -47.85748 40.35596 
1 1 1  -63   25   12 o  136.419   9.9402  7983.32  1093.48  6458.67  5093.83  8056.98  1119.58   84.011   37.318  136.899   10.144 -52.88792 38.67197 
1 1 1  -63   25   13 o  120.590   18.826  7280.49  1783.09  1291.75  5187.09  8083.00  1898.81   64.437   31.318  126.893   19.015 -62.45552 36.63814 
1 1 1  -63   25   14 o   71.065   20.756  2853.81  1272.60 -316.7855  4298.27  3158.45  1332.34   55.454   27.276   74.585   21.070 -19.13063 34.46630 
1 1 1  -63   25   15 o   82.800   21.462  4130.12  1454.79  8296.70  4728.95  3694.58  1528.93   70.543   33.021   75.505   22.925 -4.962013 40.19874 
1 1 1  -63   25   16 o   31.331   15.094 -815.5826  1139.95  5408.16  4514.75 -1239.3879  1178.12   56.728   27.912   29.940   14.633 26.78815 31.51557 
1 1 1  -63   27    1 o  144.288   44.344 13259.19  5698.02   0.0000   0.0000 13259.19  5698.02  ?   ?   144.288   44.344 0.000000 44.34395 
1 1 1  -63   27    2 o   84.227   35.987  2707.78  4361.15   0.0000   0.0000  2707.78  4361.15  ?   ?    84.227   35.987 0.000000 35.98730 
1 1 1  -63   27    3 o   50.818   16.319  1112.23  763.504   0.0000   0.0000  1112.23  763.504  ?   ?    50.818   16.319 0.000000 16.31885 
1 1 1  -63   27    4 o   87.608   16.732  3443.06  1146.85   0.0000   0.0000  3443.06  1146.85  ?   ?    87.608   16.732 0.000000 16.73229 
1 1 1  -63   27    5 o  149.203   17.301  9923.68  2057.11   0.0000   0.0000  9923.68  2057.11  ?   ?   149.203   17.301 0.000000 17.30125 
1 1 1  -63   27    6 o  184.800   18.247 15427.47  2702.20   0.0000   0.0000 15427.47  2702.20  ?   ?   184.800   18.247 0.000000 18.24670 
1 1 1  -63   27    7 o  127.529   17.060  7356.21  1722.29 10536.49  6614.20  7124.89  1783.82  109.705   45.430  124.672   18.155 -14.96680 48.92314 
1 1 1  -63   27    8 o   70.689   19.284  2401.50  1137.53 10971.39  5428.29  2007.88  1163.36  114.985   43.069   64.665   20.064 50.31998 47.51299 
1 1 1  -63   27    9 o   49.368   24.503 -5373.1060  3757.23 -6946.4370  4137.49  2025.46  8972.23   49.335   24.679   79.227   39.053 -29.89142 46.19716 
1 1 1  -63   27   10 o   17.485   8.8612 -2177.2920  636.781 -2503.5010  4274.17 -2169.8870  643.968   57.176   27.930   17.679   8.9542 39.49694 29.32988 
1 1 1  -63   27   11 f   86.490   21.692  3987.59  1520.67 -7364.2480  5720.03  4850.91  1577.43   54.091   27.313   96.873   20.684 -42.78174 34.26075 
1 1 1  -63   27   12 o  115.919   21.744  7292.81  1971.39 -1001.9980  5855.47  8353.22  2093.61   59.662   29.770  124.595   21.470 -64.93211 36.70409 
1 1 1  -63   27   13 o   92.707   21.722  4955.97  1606.51  5239.38  5359.26  4927.98  1683.94   65.399   31.796   90.717   22.868 -25.31837 39.16538 
1 1 1  -63   27   14 o  117.812   23.593  8808.02  2178.15 16713.52  7053.72  7974.74  2290.07   71.769   35.228  105.459   26.714 -33.69055 44.21113 
1 1 1  -63   29    1 o   73.447   9.8689  2293.11  573.660   0.0000   0.0000  2293.11  573.660  ?   ?    73.447   9.8689 0.000000 9.868924 
1 1 1  -63   29    2 o   59.173   16.715  1597.96  838.531   0.0000   0.0000  1597.96  838.531  ?   ?    59.173   16.715 0.000000 16.71539 
1 1 1  -63   29    3 o   67.063   18.849  2112.14  1069.07   0.0000   0.0000  2112.14  1069.07  ?   ?    67.063   18.849 0.000000 18.84924 
1 1 1  -63   29    4 o  143.042   17.868  9342.37  2030.00   0.0000   0.0000  9342.37  2030.00  ?   ?   143.042   17.868 0.000000 17.86786 
1 1 1  -63   29    5 o  207.948   20.155 20382.24  3360.36   0.0000   0.0000 20382.24  3360.36  ?   ?   207.948   20.155 0.000000 20.15481 
1 1 1  -63   29    6 o   87.264   19.125  3658.02  1317.73   0.0000   0.0000  3658.02  1317.73  ?   ?    87.264   19.125 0.000000 19.12530 
1 1 1  -63   29    7 o   97.464   19.720  4638.47  1507.04   0.0000   0.0000  4638.47  1507.04  ?   ?    97.464   19.720 0.000000 19.72032 
1 1 1  -63   29    8 o   58.730   20.630  1694.76  1218.58  6549.01  7699.52  1570.04  1234.14   80.981   39.068   57.154   20.684 23.82735 44.20554 
1 1 1  -63   29    9 o   22.102   10.986 -1703.5920  766.130  6162.64  6119.04 -1828.8680  772.206   77.564   36.694   21.738   10.841 55.82642 38.26214 
1 1 1  -63   29   10 o   64.207   21.791  2304.42  1355.42  5850.72  6627.24  2149.60  1384.69   71.600   34.932   62.137   21.976 9.462475 41.26944 
1 1 1  -63   29   11 o   60.242   21.358  2097.62  1308.77 17281.83  7754.13  1652.37  1327.82   81.972   39.460   54.927   21.132 27.04546 44.76191 
1 1 1  -63   29   12 o   30.216   14.368 -705.0171  961.610 -11239.1602  7225.14 -515.0549  970.242   48.281   24.835   31.528   14.821 16.75285 28.92132 
1 1 1  -63   29   13 o   45.263   19.953  968.173  1429.38  1100.95  6883.74  962.190  1461.23   51.915   26.560   45.334   20.069 6.581505 33.29005 
1 1 1  -63   31    1 o   35.718   15.191  147.773  770.582   0.0000   0.0000  147.773  770.582  ?   ?    35.718   15.191 0.000000 15.19078 
1 1 1  -63   31    2 o   28.466   13.067 -386.7003  687.811   0.0000   0.0000 -386.7003  687.811  ?   ?    28.466   13.067 0.000000 13.06678 
1 1 1  -63   31    3 o  112.190   19.675  6107.60  1726.94   0.0000   0.0000  6107.60  1726.94  ?   ?   112.190   19.675 0.000000 19.67496 
1 1 1  -63   31    4 o   40.316   16.866  356.859  924.896   0.0000   0.0000  356.859  924.896  ?   ?    40.316   16.866 0.000000 16.86568 
1 1 1  -63   31    5 o   32.981   14.583 -70.1408  769.171   0.0000   0.0000 -70.1408  769.171  ?   ?    32.981   14.583 0.000000 14.58271 
1 1 1  -63   31    6 o   45.662   19.159  610.410  1199.08   0.0000   0.0000  610.410  1199.08  ?   ?    45.662   19.159 0.000000 19.15940 
1 1 1  -63   31    7 o   50.688   20.152  1126.53  1241.24   0.0000   0.0000  1126.53  1241.24  ?   ?    50.688   20.152 0.000000 20.15217 
1 1 1  -63   31    8 o   59.921   30.408 -2913.3411  7669.22 -3545.9021 10392.74 -2157.0149 11364.06   62.157   31.861   63.445   32.574 -1.287674 45.56475 
1 1 1  -63   31    9 o   64.556   22.524  2541.97  1451.35 -5401.8618 10311.59  2702.52  1465.94   58.026   29.839   66.391   22.661 -8.364635 37.46847 
1 1 1  -63   31   10 o   94.006   24.965  5859.71  1937.66  7025.37 10431.34  5818.06  1971.98   60.076   30.861   92.686   25.434 -32.61013 39.99076 
1 1 1  -63   33    1 o   72.084   35.140  4213.27  6668.94   0.0000   0.0000  4213.27  6668.94  ?   ?    72.084   35.140 0.000000 35.14035 
1 1 1  -63   33    2 o   66.960   32.649  2043.00  5764.81   0.0000   0.0000  2043.00  5764.81  ?   ?    66.960   32.649 0.000000 32.64874 
1 1 1  -63   33    3 o   66.600   33.282  1732.30  7441.72   0.0000   0.0000  1732.30  7441.72  ?   ?    66.600   33.282 0.000000 33.28214 
1 1 1  -63   33    4 o   62.764   31.679 -582.0276  7648.90   0.0000   0.0000 -582.0276  7648.90  ?   ?    62.764   31.679 0.000000 31.67940 
1 1 1  -63   33    5 o   69.986   35.057  8456.59  8483.82   0.0000   0.0000  8456.59  8483.82  ?   ?    69.986   35.057 0.000000 35.05676 
1 1 1  -63   33    6 o   69.600   23.333  3034.32  1553.94   0.0000   0.0000  3034.32  1553.94  ?   ?    69.600   23.333 0.000000 23.33343 
1 1 1  -62    0    1 o   71.432   26.462  2797.01  1424.50   0.0000   0.0000  2797.01  1424.50   71.432   26.462   71.432   26.462 -0.000000 0.000000 
1 1 1  -62    0    2 o  160.137   22.983 11112.94  2809.74 11112.94  2809.74   0.0000   0.0000  160.137   22.983  160.137   22.983 0.000000 0.000000 
1 1 1  -62    0    3 o  133.110   7.0467  7259.23  756.738   0.0000   0.0000  7259.23  756.738  133.110   7.0467  133.110   7.0467 -0.000000 0.000000 
1 1 1  -62    0    5 o   66.322   11.534  1943.14  564.838   0.0000   0.0000  1943.14  564.838   66.322   11.534   66.322   11.534 -0.000000 0.000000 
1 1 1  -62    0    6 o  117.466   12.206  5795.03  1135.44   0.0000   0.0000  5795.03  1135.44  117.466   12.206  117.466   12.206 -0.000000 0.000000 
1 1 1  -62    0    7 o   79.555   13.408  2785.44  792.209   0.0000   0.0000  2785.44  792.209   79.555   13.408   79.555   13.408 -0.000000 0.000000 
1 1 1  -62    0    8 o   13.085   9.2897 -566.0193  418.723 -566.0193  418.723   0.0000   0.0000   13.085   9.2897   13.085   9.2897 0.000000 0.000000 
1 1 1  -62    0    9 o  388.237   28.511 63190.91  8876.35 63190.91  8876.35   0.0000   0.0000  388.237   28.511  388.237   28.511 0.000000 0.000000 
1 1 1  -62    0   10 o  112.380   15.371  5433.15  1328.17   0.0000   0.0000  5433.15  1328.17  112.380   15.371  112.380   15.371 -0.000000 0.000000 
1 1 1  -62    0   11 o  100.593   15.443  4411.32  1172.98   0.0000   0.0000  4411.32  1172.98  100.593   15.443  100.593   15.443 -0.000000 0.000000 
1 1 1  -62    0   12 o  153.058   16.110  9901.09  1951.34   0.0000   0.0000  9901.09  1951.34  153.058   16.110  153.058   16.110 -0.000000 0.000000 
1 1 1  -62    0   13 o  198.748   18.097 16645.76  2864.75   0.0000   0.0000 16645.76  2864.75  198.748   18.097  198.748   18.097 -0.000000 0.000000 
1 1 1  -62    0   14 o  141.865   16.307  8596.88  1814.02  8596.88  1814.02   0.0000   0.0000  141.865   16.307  141.865   16.307 0.000000 0.000000 
1 1 1  -62    0   15 o   29.892   19.055  117.054  1022.62   0.0000   0.0000  117.054  1022.62   29.892   19.055   29.892   19.055 -0.000000 0.000000 
1 1 1  -62    0   16 o   46.236   22.595  1323.13  1002.54   0.0000   0.0000  1323.13  1002.54   46.236   22.595   46.236   22.595 -0.000000 0.000000 
1 1 1  -62    0   17 o   20.475   14.182 -650.7740  811.791 -650.7740  811.791   0.0000   0.0000   20.475   14.182   20.475   14.182 0.000000 0.000000 
1 1 1  -62    0   18 o   57.138   24.359  1968.63  1150.59   0.0000   0.0000  1968.63  1150.59   57.138   24.359   57.138   24.359 -0.000000 0.000000 
1 1 1  -62    0   19 o  104.241   9.4728  4568.11  786.556  4989.06  912.946  3355.71  1549.38  108.609   10.583   77.037   27.242 -0.000000 0.000000 
1 1 1  -62    0   20 o   35.754   14.330  734.633  404.071  898.652  432.002 -412.1088  1142.28   40.595   14.398   26.807   18.086 -0.000000 0.000000 
1 1 1  -62    0   21 o  143.655   11.512  8748.55  1322.91 10104.12  1550.99  5129.12  2534.35  153.960   12.601   87.544   36.027 -0.000000 0.000000 
1 1 1  -62    0   22 o   11.374   8.0931 -442.5413  324.270 -513.5544  330.343  1435.76  1698.94   11.045   7.9115   45.968   26.983 -0.000000 0.000000 
1 1 1  -62    0   23 o   32.695   15.027  671.249  437.074  671.249  437.074   0.0000   0.0000   32.695   15.027   32.695   15.027 -0.000000 0.000000 
1 1 1  -62    2    1 o  350.982   20.447 50786.77  5801.88 95306.80  8180.92  5736.36  8229.51  481.453   20.927  134.929   52.413 346.5235 56.43613 
1 1 1  -62    2    2 o  179.402   12.685 13194.39  1835.93 14876.44  2111.44  7981.20  3717.15  190.396   13.750  135.310   33.903 55.08620 36.58500 
1 1 1  -62    2    3 o  564.444   26.444 132181.00 12119.39 137492.70 14681.08 120817.00 21473.59  572.194   31.723  522.522   51.274 49.67273 60.29384 
1 1 1  -62    2    4 o  454.746   32.653 87312.48 11976.46 87312.48 11976.46   0.0000   0.0000  454.746   32.653  ?   ?  0.000000 32.65292 
1 1 1  -62    2    5 o  289.647   21.080 34768.92  4923.61   0.0000   0.0000 34768.92  4923.61  ?   ?   289.647   21.080 0.000000 21.07975 
1 1 1  -62    2    6 o  301.500   15.624 37346.04  3811.67 35849.38  5450.25 38778.84  5332.71  293.337   23.069  305.616   21.630 -12.27802 31.62308 
1 1 1  -62    2    7 o  419.459   20.850 72728.46  7101.17 74261.71 10099.07 71229.05  9987.01  419.000   29.880  410.137   30.202 8.863068 42.48513 
1 1 1  -62    2    8 o  293.477   15.377 35442.34  3651.39 35293.98  5215.81 35584.94  5113.39  290.742   22.263  292.141   21.712 -1.399139 31.09742 
1 1 1  -62    2    9 o  285.488   15.127 33573.95  3493.97 34368.86  4987.94 32808.14  4895.78  286.744   21.582  280.080   21.697 6.664429 30.60292 
1 1 1  -62    2   10 o  168.161   10.791 11608.21  1465.67 12704.33  2127.54 10618.13  2022.02  175.062   15.116  159.773   15.793 15.28931 21.86105 
1 1 1  -62    2   11 o  152.528   10.654  9569.49  1311.13  9467.81  1918.56  9658.60  1795.94  150.511   15.942  152.358   14.700 -1.847672 21.68450 
1 1 1  -62    2   12 o   96.535   11.410  3881.17  877.072  3766.51  1290.56  3979.57  1195.61   93.534   17.640   96.713   15.769 -3.178947 23.66046 
1 1 1  -62    2   13 o  172.134   11.816 12294.94  1641.43 11775.44  2372.04 12772.28  2273.74  166.166   17.861  173.801   16.303 -7.634995 24.18262 
1 1 1  -62    2   14 o   83.771   11.614  2963.34  768.751  4148.93  1143.65  1986.06  1038.33   98.377   14.774   66.996   18.485 31.38093 23.66341 
1 1 1  -62    2   15 o  160.285   11.562 10768.72  1494.68 12497.36  2153.26  9161.23  2076.44  170.536   15.728  144.524   18.091 26.01219 23.97163 
1 1 1  -62    2   16 o  ?   ?  -2426.1851  481.256 -3051.2971  601.981 -1319.0750  801.123  ?   ?    25.296   12.297 0.000000 12.29721 
1 1 1  -62    2   17 o   36.538   11.075  568.872  357.065  1342.54  1111.48  479.839  377.051   55.893   19.697   34.436   11.494 21.45708 22.80535 
1 1 1  -62    2   18 f  172.748   10.022 12626.46  1399.71 11231.28  2728.20 13124.91  1630.69  150.797   23.010  174.994   11.541 -24.19702 25.74260 
1 1 1  -62    2   19 o  218.941   12.424 20984.22  2199.60 16092.03  4053.32 23026.26  2618.73  162.784   31.807  226.745   14.297 -63.96109 34.87223 
1 1 1  -62    2   20 o  127.345   9.7543  7009.93  1000.92  2605.72  2247.93  8099.04  1117.85   65.852   26.790  136.585   10.152 -70.73278 28.64864 
1 1 1  -62    2   21 o   59.599   10.527  1608.19  490.791   58.559  1477.67  1800.33  520.330   42.024   19.239   63.136   10.520 -21.11205 21.92769 
1 1 1  -62    2   22 o   69.616   11.194  2277.91  611.291 -448.4990  1969.47  2568.57  643.051   40.842   19.717   74.135   11.018 -33.29370 22.58676 
1 1 1  -62    2   23 o   44.436   13.096  1059.02  504.583   0.0000   0.0000  1059.02  504.583  ?   ?    44.436   13.096 0.000000 13.09600 
1 1 1  -62    4    1 o  230.449   14.982 21795.09  2788.22 25510.30  3269.68 11892.30  5338.17  249.170   16.250  164.082   40.349 85.08861 43.49823 
1 1 1  -62    4    2 o  683.924   28.989 194824.00 16098.36 191783.91 19560.87 201205.09 28339.22  673.196   35.915  674.748   52.130 -1.552795 63.30456 
1 1 1  -62    4    3 o  370.363   17.313 56225.61  5206.28 55856.98  6226.39 57082.35  9492.17  367.766   20.938  367.653   32.120 0.1123352 38.34131 
1 1 1  -62    4    4 o  167.018   14.553 11491.05  1953.85 11491.05  1953.85   0.0000   0.0000  167.018   14.553  ?   ?  0.000000 14.55297 
1 1 1  -62    4    5 o  575.322   42.218 143677.09 19584.35 143677.09 19584.35   0.0000   0.0000  575.322   42.218  ?   ?  0.000000 42.21849 
1 1 1  -62    4    6 o  162.141   10.096 10756.81  1322.64  9208.97  1979.43 12005.32  1777.76  148.904   16.657  170.927   12.904 -22.02365 21.07089 
1 1 1  -62    4    7 o  262.802   13.696 28339.56  2912.32 30101.23  4231.66 26754.29  4014.23  269.443   19.473  253.900   19.624 15.54337 27.64611 
1 1 1  -62    4    8 o  191.435   11.219 15017.51  1736.18 14711.32  2575.09 15272.71  2350.87  188.330   17.024  192.328   15.177 -3.998352 22.80692 
1 1 1  -62    4    9 o  101.848   9.3111  4265.79  761.482  4998.50  1219.13  3797.06  975.090  109.515   14.033   95.438   12.915 14.07719 19.07114 
1 1 1  -62    4   10 o  123.678   10.100  6290.86  1005.41  6171.92  1589.96  6370.11  1297.83  121.183   16.595  123.924   13.096 -2.741219 21.14010 
1 1 1  -62    4   11 o  276.151   15.024 31589.65  3355.99 31781.96  4843.41 31412.05  4654.39  273.939   21.960  272.720   21.185 1.218933 30.51286 
1 1 1  -62    4   12 o  137.272   10.454  7777.23  1156.43  7092.14  1764.72  8292.85  1530.95  129.221   17.250  141.019   13.537 -11.79779 21.92712 
1 1 1  -62    4   13 o   35.503   13.433  384.526  530.943  830.357  924.750  165.289  648.478   48.686   17.861   34.579   14.264 14.10776 22.85798 
1 1 1  -62    4   14 o  187.947   9.5712 14601.11  1455.79 12014.11  2740.19 15618.44  1718.35  164.955   20.930  193.870   10.961 -28.91458 23.62600 
1 1 1  -62    4   15 o  104.665   8.0790  4534.90  681.279  3981.59  1513.80  4675.43  762.905   93.401   20.521  106.058   8.9425 -12.65636 22.38508 
1 1 1  -62    4   16 o   78.728   8.5584  2592.90  538.277  5588.16  1386.36  2061.21  584.101  112.959   15.526   69.486   10.696 43.47293 18.85333 
1 1 1  -62    4   17 o  110.033   8.5397  5059.04  756.989  2877.12  1733.52  5573.15  841.456   76.165   24.603  115.318   9.0596 -39.15249 26.21816 
1 1 1  -62    4   18 o   65.927   9.3371  1857.92  485.843  3705.88  1273.55  1543.17  525.591   88.610   18.306   59.288   11.331 29.32272 21.52953 
1 1 1  -62    4   19 o   75.924   9.7238  2485.09  585.681  2256.94  1663.66  2517.36  625.739   65.625   23.975   76.116   10.396 -10.49135 26.13190 
1 1 1  -62    4   20 o   62.478   10.066  1721.89  493.321  1768.35  1698.40  1717.61  515.548   58.384   23.451   62.141   10.598 -3.757114 25.73402 
1 1 1  -62    4   21 f   30.723   10.503  401.999  314.933 -1721.8680  1675.69  479.766  320.647   35.754   17.470   32.868   10.578 2.886219 20.42267 
1 1 1  -62    4   22 o   26.773   10.765  221.154  358.277  396.761  1854.48  214.345  365.156   43.314   20.402   26.781   10.832 16.53366 23.09939 
1 1 1  -62    4   23 o   23.646   9.8961  134.570  318.622 -2040.4880  1991.53  191.706  322.780   33.263   16.707   24.843   10.134 8.419975 19.53999 
1 1 1  -62    6    1 o   85.261   10.184  3002.64  691.050  2994.62  765.804  3037.84  1603.62   84.965   11.387   84.412   22.842 0.5524521 25.52249 
1 1 1  -62    6    2 o  150.794   10.235  9305.06  1245.81  9513.72  1406.25  8544.00  2685.73  152.334   11.453  141.868   24.182 10.46596 26.75745 
1 1 1  -62    6    3 o  216.508   12.038 19181.92  2107.89 19426.63  2441.74 18466.09  4176.20  217.609   13.892  209.684   25.023 7.924194 28.62053 
1 1 1  -62    6    4 o  168.543   13.241 11674.64  1797.48 11288.54  2039.02 13020.84  3807.37  165.364   15.361  174.737   27.764 -9.373154 31.72998 
1 1 1  -62    6    5 f  277.650   21.478 32024.09  4804.30 32024.09  4804.30   0.0000   0.0000  277.650   21.478  ?   ?  0.000000 21.47762 
1 1 1  -62    6    6 o  124.456   13.774  6412.89  1368.62  6412.89  1368.62   0.0000   0.0000  124.456   13.774  ?   ?  0.000000 13.77440 
1 1 1  -62    6    7 o   41.956   10.712  745.817  366.209   0.0000   0.0000  745.817  366.209  ?   ?    41.956   10.712 0.000000 10.71245 
1 1 1  -62    6    8 o   97.581   8.4379  3908.20  661.977  5791.19  1156.66  2991.01  807.258  118.380   12.209   84.691   12.082 33.68860 17.17597 
1 1 1  -62    6    9 o  195.639   12.002 15724.44  1897.37 12719.19  2838.84 18150.75  2550.78  173.806   20.511  209.559   15.092 -35.75339 25.46505 
1 1 1  -62    6   10 o  173.052   10.486 12292.71  1466.47 15255.08  2221.95 10006.49  1951.98  191.990   14.357  154.941   15.734 37.04945 21.30000 
1 1 1  -62    6   11 o  108.555   9.9823  4864.16  870.021  5358.49  1400.14  4553.24  1110.42  112.697   15.730  104.293   13.424 8.404778 20.67944 
1 1 1  -62    6   12 o  199.734   9.1744 16346.16  1487.88 19351.72  2830.26 15198.30  1749.07  214.618   16.365  191.827   11.279 22.79111 19.87510 
1 1 1  -62    6   13 o  121.135   7.6195  6029.81  745.615  9070.43  1630.21  5225.48  838.453  146.880   13.832  112.394   9.2702 34.48571 16.65118 
1 1 1  -62    6   14 o  141.730   8.1742  8280.53  936.703  9632.84  1941.33  7870.16  1069.43  149.749   16.226  137.759   9.6212 11.99039 18.86357 
1 1 1  -62    6   15 o   59.768   8.6888  1503.78  409.313  2029.60  1240.53  1439.54  433.595   67.064   20.704   58.257   9.4934 8.807098 22.77681 
1 1 1  -62    6   16 o  240.577   11.708 24381.59  2287.06 21458.35  4255.68 25568.72  2711.98  211.359   25.300  244.393   13.722 -33.03438 28.78208 
1 1 1  -62    6   17 o  167.335   9.5374 11750.70  1290.48 10770.96  2532.82 12094.20  1499.74  150.995   21.246  168.874   10.997 -17.87837 23.92386 
1 1 1  -62    6   18 o   96.446   8.5784  3920.08  664.770  4523.45  1739.61  3816.90  719.366   94.165   22.959   94.782   9.4742 -0.6167755 24.83732 
1 1 1  -62    6   19 o   56.991   10.701  1435.74  476.992  2282.08  1599.92  1353.17  499.717   65.533   23.574   54.945   11.567 10.58778 26.25876 
1 1 1  -62    6   20 o   62.870   10.714  1765.92  527.305  5122.01  1764.99  1437.01  552.540   95.120   23.086   55.692   12.523 39.42764 26.26372 
1 1 1  -62    6   21 o   54.116   12.665  1403.05  546.633  2040.71  1861.01  1342.84  571.858   56.549   23.805   52.479   13.380 4.069569 27.30772 
1 1 1  -62    6   22 o   34.751   12.087  568.605  417.832 -75.7876  1596.20  616.008  432.927   39.126   18.577   35.860   12.313 3.266430 22.28749 
1 1 1  -62    6   23 o   26.561   10.643  260.377  348.908 -3302.4561  2081.15  363.413  353.917   31.057   15.769   28.785   10.949 2.271999 19.19700 
1 1 1  -62    8    3 o  162.308   26.682 11231.38  3394.12   0.0000   0.0000 11231.38  3394.12  ?   ?   162.308   26.682 0.000000 26.68163 
1 1 1  -62    8    4 o  254.099   15.067 26527.89  3094.83 22657.07  3775.85 34451.38  5402.21  233.637   20.099  287.472   23.346 -53.83496 30.80590 
1 1 1  -62    8    5 o  144.027   14.497  8576.51  1672.28  8576.51  1672.28   0.0000   0.0000  144.027   14.497  ?   ?  0.000000 14.49669 
1 1 1  -62    8    6 f  189.709   16.691 14898.32  2544.80 14898.32  2544.80   0.0000   0.0000  189.709   16.691  ?   ?  0.000000 16.69058 
1 1 1  -62    8    7 o   99.514   14.030  4136.02  1102.17  4136.02  1102.17   0.0000   0.0000   99.514   14.030  ?   ?  0.000000 14.02970 
1 1 1  -62    8    8 o  544.655   40.570 131682.41 17813.03   0.0000   0.0000 131682.41 17813.03  ?   ?   544.655   40.570 0.000000 40.56985 
1 1 1  -62    8    9 o  295.235   14.459 35852.20  3466.17 42760.79  5084.79 29855.25  4737.44  320.116   19.658  266.286   22.111 53.82959 29.58567 
1 1 1  -62    8   10 o  120.075   9.7684  5933.98  944.131  3462.94  1602.75  7247.09  1168.36   89.002   22.241  132.564   10.953 -43.56199 24.79151 
1 1 1  -62    8   11 o  172.701   10.846 12292.20  1513.17 13263.07  2337.15 11591.53  1985.48  177.773   16.375  166.602   14.833 11.17137 22.09427 
1 1 1  -62    8   12 o  285.246   12.299 33653.16  2848.61 35281.34  5183.68 32948.75  3409.59  285.192   22.570  280.613   15.019 4.578949 27.11000 
1 1 1  -62    8   13 o  186.090   9.2414 14248.74  1396.36 15709.89  2703.66 13717.20  1630.69  191.398   17.594  181.732   11.104 9.666107 20.80523 
1 1 1  -62    8   14 o  102.257   7.8286  4320.35  645.067  2034.94  1515.25  4826.23  712.894   68.305   23.040  108.025   8.1885 -39.72036 24.45228 
1 1 1  -62    8   15 o  224.875   10.559 21077.52  1928.01 21183.43  3639.02 21036.19  2273.29  216.644   20.949  223.118   12.600 -6.473801 24.44579 
1 1 1  -62    8   16 o   87.112   8.5435  3174.54  596.522  1862.58  1545.19  3404.31  646.652   64.750   23.180   90.108   8.9570 -25.35868 24.85074 
1 1 1  -62    8   17 o  158.328   9.5610 10544.19  1223.37  9488.13  2531.89 10865.84  1397.31  139.160   23.226  159.958   10.822 -20.79823 25.62353 
1 1 1  -62    8   18 o  109.755   9.0497  5098.74  799.295  4938.67  1923.40  5132.15  878.767   96.491   24.504  109.641   9.9803 -13.14970 26.45830 
1 1 1  -62    8   19 o   59.198   10.082  1538.13  467.259  290.847  1658.56  1645.66  486.985   47.781   21.256   61.249   10.147 -13.46756 23.55390 
1 1 1  -62    8   20 o   83.952   9.6725  3086.85  647.280  3129.08  1979.90  3081.79  684.917   68.806   25.962   83.471   10.326 -14.66431 27.94028 
1 1 1  -62    8   21 o   42.260   13.606  871.862  530.506  365.568  1944.88  912.560  551.416   45.655   21.307   43.073   13.872 2.582020 25.42488 
1 1 1  -62    8   22 o   59.381   14.273  1867.55  679.656  2432.72  2209.94  1808.51  714.275   51.467   23.550   57.496   15.104 -6.028648 27.97756 
1 1 1  -62   10    1 o  425.614   35.144 77259.12 12036.62   0.0000   0.0000 77259.12 12036.62  ?   ?   425.614   35.144 0.000000 35.14413 
1 1 1  -62   10    2 o  480.573   39.215 99649.32 15168.65   0.0000   0.0000 99649.32 15168.65  ?   ?   480.573   39.215 0.000000 39.21491 
1 1 1  -62   10    3 o  260.604   28.058 28707.19  5843.56   0.0000   0.0000 28707.19  5843.56  ?   ?   260.604   28.058 0.000000 28.05809 
1 1 1  -62   10    4 o  364.195   33.504 56726.22  9796.66   0.0000   0.0000 56726.22  9796.66  ?   ?   364.195   33.504 0.000000 33.50449 
1 1 1  -62   10    5 o  402.468   30.404 68767.61  9862.35 68767.61  9862.35   0.0000   0.0000  402.468   30.404  ?   ?  0.000000 30.40373 
1 1 1  -62   10    6 o  267.607   21.497 29894.82  4631.56 29894.82  4631.56   0.0000   0.0000  267.607   21.497  ?   ?  0.000000 21.49675 
1 1 1  -62   10    7 o   80.340   14.455  2728.16  908.292  2728.16  908.292   0.0000   0.0000   80.340   14.455  ?   ?  0.000000 14.45527 
1 1 1  -62   10    8 o   87.682   10.521  3186.48  734.098   0.0000   0.0000  3186.48  734.098  ?   ?    87.682   10.521 0.000000 10.52121 
1 1 1  -62   10    9 o  297.664   13.414 36440.23  3242.17 26171.94  5896.47 40889.99  3881.60  244.387   30.370  314.744   15.189 -70.35730 33.95613 
1 1 1  -62   10   10 o   98.872   6.8307  4004.07  545.011  3269.64  1375.56  4140.84  593.590   86.572   19.975  100.489   7.3254 -13.91617 21.27593 
1 1 1  -62   10   11 o  204.688   9.4781 17182.52  1575.26 18644.18  3065.36 16658.01  1836.27  209.711   18.182  200.809   11.308 8.902710 21.41156 
1 1 1  -62   10   12 o  157.831   8.4321 10244.07  1076.70 10954.47  2254.90 10034.26  1225.42  159.905   17.662  155.872   9.7309 4.032684 20.16512 
1 1 1  -62   10   13 o  163.964   8.6352 11087.88  1145.58 12777.75  2409.73 10594.45  1302.13  172.071   17.490  159.809   10.087 12.26219 20.19050 
1 1 1  -62   10   14 o   65.216   9.9094  1800.28  508.226 -497.5862  1265.16  2242.43  554.973   40.228   18.174   73.015   9.5931 -32.78777 20.55069 
1 1 1  -62   10   15 o   98.576   10.573  4101.61  833.061  2344.41  1764.60  4605.57  944.999   71.466   24.841  104.226   11.350 -32.75951 27.31152 
1 1 1  -62   10   16 o   78.623   11.274  2656.11  699.105  2663.67  1562.20  2654.21  781.754   73.986   23.299   78.006   12.786 -4.020042 26.57643 
1 1 1  -62   10   17 o   71.124   11.906  2214.45  663.256  761.890  1577.02  2526.59  731.056   52.641   22.023   75.908   12.280 -23.26693 25.21515 
1 1 1  -62   10   18 o   74.146   11.652  2422.63  678.378  2802.02  1752.24  2355.74  735.754   71.868   24.767   72.436   12.987 -0.5680313 27.96535 
1 1 1  -62   10   19 o  101.547   11.462  4563.73  928.547  2171.96  2115.00  5134.81  1033.47   62.942   25.838  107.302   12.071 -44.35920 28.51919 
1 1 1  -62   10   20 o   31.862   12.363  356.546  457.498 -90.6675  1839.95  386.017  472.332   44.636   20.796   32.639   12.591 11.99731 24.31001 
1 1 1  -62   10   21 o   56.759   13.878  1625.82  634.225  2060.23  2177.55  1585.55  662.968   53.600   24.062   55.485   14.540 -1.885006 28.11420 
1 1 1  -62   10   22 o   23.920   10.431   49.499  381.278 -4023.2729  2201.20  175.474  387.129   31.809   16.157   26.062   10.908 5.746664 19.49436 
1 1 1  -62   12    1 o  292.427   28.520 36163.47  6685.59   0.0000   0.0000 36163.47  6685.59  ?   ?   292.427   28.520 0.000000 28.51986 
1 1 1  -62   12    2 o  305.015   29.940 39509.84  7319.35   0.0000   0.0000 39509.84  7319.35  ?   ?   305.015   29.940 0.000000 29.93968 
1 1 1  -62   12    3 o  145.646   32.990  9346.91  3810.92   0.0000   0.0000  9346.91  3810.92  ?   ?   145.646   32.990 0.000000 32.99022 
1 1 1  -62   12    4 o  449.195   38.967 88178.61 14071.84   0.0000   0.0000 88178.61 14071.84  ?   ?   449.195   38.967 0.000000 38.96747 
1 1 1  -62   12    5 f  357.168   19.286 52899.04  5572.39 37562.89  7145.66 76698.98  8901.69  296.206   30.130  426.896   25.802 -130.6900 39.66829 
1 1 1  -62   12    6 f  137.222   16.810  7873.75  1833.76  7873.75  1833.76   0.0000   0.0000  137.222   16.810  ?   ?  0.000000 16.80960 
1 1 1  -62   12    7 o   23.480   10.835 -384.9340  481.757 -384.9340  481.757   0.0000   0.0000   23.480   10.835  ?   ?  0.000000 10.83540 
1 1 1  -62   12    8 o  217.403   16.751 19689.44  2934.12   0.0000   0.0000 19689.44  2934.12  ?   ?   217.403   16.751 0.000000 16.75073 
1 1 1  -62   12    9 o   62.605   9.3114  1637.60  458.915  1602.02  1243.81  1643.21  493.751   62.900   20.871   62.576   10.058 0.3246651 23.16793 
1 1 1  -62   12   10 o   83.479   9.4949  2892.72  632.136  2612.20  1359.61  2970.08  714.001   77.084   21.105   84.367   10.661 -7.282890 23.64452 
1 1 1  -62   12   11 o  138.430   10.811  7947.95  1205.53  5563.34  2081.43  9151.68  1478.83  111.091   23.792  148.122   12.410 -37.03078 26.83440 
1 1 1  -62   12   12 o  210.159   12.913 18487.54  2192.79 18200.91  3393.92 18692.93  2872.94  203.749   20.807  209.009   17.078 -5.259979 26.91794 
1 1 1  -62   12   13 o  191.043   12.518 15336.33  1931.09 14334.13  3050.73 16006.36  2494.45  179.022   21.412  193.123   16.053 -14.10143 26.76171 
1 1 1  -62   12   14 o   33.273   12.530  355.419  460.622  389.591  1238.31  349.932  496.231   46.954   19.568   33.878   12.946 13.07620 23.46281 
1 1 1  -62   12   15 o   74.864   12.518  2432.46  734.096  3017.17  1740.58  2305.96  809.625   78.616   24.566   72.181   14.320 6.435188 28.43521 
1 1 1  -62   12   16 o  185.843   10.397 14587.45  1562.60 10714.61  3211.82 15788.42  1788.55  142.218   28.801  192.544   11.493 -50.32564 31.00945 
1 1 1  -62   12   17 o  159.184   9.9053 10753.08  1273.94 10057.66  2777.00 10938.43  1433.69  138.470   25.644  159.658   11.129 -21.18817 27.95433 
1 1 1  -62   12   18 o   96.304   9.6688  3985.28  745.853  2894.04  2065.76  4148.86  799.804   70.866   26.564   97.976   10.203 -27.10990 28.45605 
1 1 1  -62   12   19 o  109.207   9.7241  5184.58  853.238  5216.19  2348.73  5179.77  915.804   86.877   28.673  108.555   10.522 -21.67819 30.54232 
1 1 1  -62   12   20 o   49.314   13.048  1177.44  530.566  659.343  2089.20  1213.15  548.549   48.723   22.512   49.929   13.294 -1.205730 26.14470 
1 1 1  -62   12   21 o   45.451   15.721  1122.81  706.359 -1956.1110  2299.46  1443.62  742.247   37.976   18.901   50.902   16.063 -12.92608 24.80499 
1 1 1  -62   12   22 o   49.804   15.709  1500.92  709.949  2184.20  2627.95  1447.12  737.366   45.384   22.110   48.376   16.070 -2.992165 27.33311 
1 1 1  -62   14    1 o  299.923   29.770 38406.60  7154.08   0.0000   0.0000 38406.60  7154.08  ?   ?   299.923   29.770 0.000000 29.77018 
1 1 1  -62   14    2 o  397.834   35.481 68703.84 11341.17   0.0000   0.0000 68703.84 11341.17  ?   ?   397.834   35.481 0.000000 35.48134 
1 1 1  -62   14    3 o  107.416   33.846  4959.69  3296.37   0.0000   0.0000  4959.69  3296.37  ?   ?   107.416   33.846 0.000000 33.84645 
1 1 1  -62   14    5 o  128.698   20.393  7049.10  2059.99  7049.10  2059.99   0.0000   0.0000  128.698   20.393  ?   ?  0.000000 20.39297 
1 1 1  -62   14    6 o   89.120   19.637  3431.77  1382.64  3431.77  1382.64   0.0000   0.0000   89.120   19.637  ?   ?  0.000000 19.63680 
1 1 1  -62   14    7 o  109.435   9.4461  4931.73  831.138  3929.01  1570.21  5322.01  979.626   95.017   20.919  113.485   10.760 -18.46735 23.52384 
1 1 1  -62   14    8 f   69.135   9.3652  1991.00  512.185  1976.87  1249.29  1993.86  561.549   68.113   20.732   68.999   10.342 -0.8857880 23.16846 
1 1 1  -62   14    9 o  378.448   21.018 61157.20  6433.13 57520.40  9458.83 64287.31  8775.22  354.254   33.274  380.201   28.636 -25.94684 43.89933 
1 1 1  -62   14   10 o   99.584   7.0630  4072.95  567.407  3945.05  1626.06  4090.68  605.465   93.940   21.747   99.724   7.5330 -5.783936 23.01514 
1 1 1  -62   14   11 o  129.721   8.3392  6935.22  873.703  3891.23  2130.67  7550.53  957.946   91.418   26.902  135.271   8.7689 -43.85342 28.29518 
1 1 1  -62   14   12 o   92.253   7.9139  3520.91  587.064  2460.39  1752.12  3655.02  623.079   74.239   24.777   93.932   8.2532 -19.69254 26.11567 
1 1 1  -62   14   13 o   46.060   10.956  918.716  403.790  1968.59  1389.37  821.858  422.006   66.557   22.057   43.575   11.687 22.98154 24.96145 
1 1 1  -62   14   14 o  205.120   10.503 17627.47  1743.35 16632.58  3688.63 17913.62  1978.25  186.601   24.971  205.895   11.884 -19.29420 27.65482 
1 1 1  -62   14   15 o  129.197   8.9704  6981.95  935.193  6046.55  2357.46  7156.64  1018.78  108.289   26.926  130.496   9.6840 -22.20686 28.61411 
1 1 1  -62   14   16 o   78.277   10.016  2620.91  622.029  382.315  1981.21  2865.70  655.157   53.662   23.579   81.880   10.066 -28.21754 25.63758 
1 1 1  -62   14   17 o   25.262   11.219 -113.3860  460.206 -1087.8650  1840.91 -48.4272  475.297   43.060   20.296   26.530   11.606 16.52929 23.37960 
1 1 1  -62   14   18 o  134.660   10.345  7870.84  1122.43  6809.84  2831.51  8068.64  1222.59   98.495   31.405  135.602   11.204 -37.10680 33.34383 
1 1 1  -62   14   19 o  108.677   10.503  5239.38  915.273  5899.33  2694.44  5153.30  973.138   84.960   30.589  107.009   11.374 -22.04915 32.63574 
1 1 1  -62   14   20 o   69.953   16.514  2606.60  922.911 -1378.7460  2650.23  3156.60  984.536   42.969   21.189   77.699   16.133 -34.72952 26.63215 
1 1 1  -62   14   21 o   34.787   14.425  492.099  668.154  3505.80  2771.15  306.086  688.465   53.191   25.019   32.700   14.139 20.49119 28.73776 
1 1 1  -62   16    5 o  165.062   39.385 12837.66  5204.99   0.0000   0.0000 12837.66  5204.99  ?   ?   165.062   39.385 0.000000 39.38508 
1 1 1  -62   16    6 o  219.029   12.576 19814.27  2227.18 15646.63  4089.21 21571.95  2655.62  188.461   27.535  227.968   14.421 -39.50696 31.08300 
1 1 1  -62   16    7 o  112.668   10.398  5253.28  940.484  3840.82  1916.09  5701.57  1079.46   92.729   24.916  117.178   11.493 -24.44839 27.43908 
1 1 1  -62   16    8 o  207.227   16.984 18137.62  2832.66   0.0000   0.0000 18137.62  2832.66  ?   ?   207.227   16.984 0.000000 16.98412 
1 1 1  -62   16    9 o  233.306   14.946 22865.04  2816.45 20396.11  4491.90 24464.46  3615.40  212.831   26.572  239.088   18.774 -26.25691 32.53536 
1 1 1  -62   16   10 o  133.055   8.3063  7294.48  892.898  6878.46  2302.70  7368.10  968.688  122.980   23.921  133.561   8.9846 -10.58105 25.55300 
1 1 1  -62   16   11 o   47.027   9.3692  943.542  345.190 -1206.6830  1448.70  1072.97  355.428   39.217   18.332   50.294   9.0358 -11.07695 20.43745 
1 1 1  -62   16   12 o  116.653   8.2322  5633.00  774.736  6165.29  2198.73  5557.54  827.828  114.362   24.421  115.684   8.8809 -1.321991 25.98559 
1 1 1  -62   16   13 o  146.492   9.0632  8928.25  1072.74  8729.23  2722.06  8964.84  1167.20  134.130   25.932  146.465   9.8722 -12.33546 27.74761 
1 1 1  -62   16   14 o   42.788   11.861  799.225  426.410  211.052  1856.44  831.985  438.124   52.522   22.957   43.615   11.997 8.906567 25.90238 
1 1 1  -62   16   15 o   90.534   9.1655  3460.99  664.472  4428.42  2128.59  3356.54  699.423   91.040   26.917   88.879   9.8578 2.161079 28.66520 
1 1 1  -62   16   16 o   32.098   12.362  326.762  454.724  148.292  1980.60  336.693  467.204   51.406   23.022   32.524   12.529 18.88220 26.21023 
1 1 1  -62   16   17 o   51.981   13.031  1241.92  548.959 -2426.9551  2272.79  1469.22  565.709   42.158   20.543   56.787   12.598 -14.62956 24.09875 
1 1 1  -62   16   18 o   39.041   14.039  653.846  567.373 -5845.3682  2430.05  1028.57  583.500   34.826   17.611   46.569   14.168 -11.74288 22.60212 
1 1 1  -62   16   19 o   42.055   16.362  795.460  802.922  578.038  2695.75  816.626  841.096   50.516   24.031   42.570   16.695 7.946781 29.26067 
1 1 1  -62   16   20 o   49.682   17.275  1433.20  853.428  8713.93  3119.11  844.032  887.287   81.421   32.080   41.391   16.834 40.02954 36.22810 
1 1 1  -62   18    2 o  126.270   33.112  7339.50  3436.65   0.0000   0.0000  7339.50  3436.65  ?   ?   126.270   33.112 0.000000 33.11160 
1 1 1  -62   18    3 o  250.248   34.428 28494.80  6810.25   0.0000   0.0000 28494.80  6810.25  ?   ?   250.248   34.428 0.000000 34.42788 
1 1 1  -62   18    4 f  155.652   35.927 11414.11  4448.44   0.0000   0.0000 11414.11  4448.44  ?   ?   155.652   35.927 0.000000 35.92657 
1 1 1  -62   18    5 o  178.365   13.485 13234.08  1938.56   0.0000   0.0000 13234.08  1938.56  ?   ?   178.365   13.485 0.000000 13.48505 
1 1 1  -62   18    6 o  193.803   14.621 15710.44  2283.86  6648.69  4543.35 18774.49  2641.91  117.533   39.895  211.585   15.485 -94.05231 42.79533 
1 1 1  -62   18    7 o   81.517   11.287  2791.88  727.047 -901.3094  1783.98  3527.46  796.165   46.847   21.329   91.893   10.882 -45.04596 23.94448 
1 1 1  -62   18    8 o   91.821   12.554  3562.20  911.446   0.0000   0.0000  3562.20  911.446  ?   ?    91.821   12.554 0.000000 12.55388 
1 1 1  -62   18    9 o   82.201   12.120  2865.75  784.651  2079.40  2158.68  2985.46  842.262   72.768   27.179   83.739   12.793 -10.97005 30.03920 
1 1 1  -62   18   10 o   54.041   13.749  1274.38  604.740  864.903  1879.40  1321.67  638.708   59.443   24.374   54.988   14.205 4.455570 28.21128 
1 1 1  -62   18   11 o   33.493   11.990  406.496  413.432  2280.96  1636.67  278.735  427.289   71.225   23.946   31.116   11.983 40.10884 26.77711 
1 1 1  -62   18   12 o  131.371   8.6537  7169.28  917.915  3890.60  2608.55  7632.64  980.634   87.743   30.220  135.455   8.9668 -47.71139 31.52221 
1 1 1  -62   18   13 o   99.505   8.2430  4127.32  659.993  4807.28  2109.51  4053.54  694.878   97.492   26.121   98.433   8.7866 -0.9412842 27.55940 
1 1 1  -62   18   14 o   98.175   8.9976  4055.24  709.264   70.109  2253.41  4493.45  747.243   54.930   24.581  103.383   8.9912 -48.45380 26.17388 
1 1 1  -62   18   15 o   37.427   12.527  584.939  447.903  1874.10  1981.73  515.539  459.801   64.114   25.472   36.035   12.672 28.07947 28.44975 
1 1 1  -62   18   16 o   28.208   11.813  111.594  454.421  3101.17  2278.09 -12.2898  463.741   72.632   27.742   26.631   11.559 46.00138 30.05388 
1 1 1  -62   18   17 o   42.124   13.767  807.597  541.940  4696.56  2533.14  621.059  554.786   81.038   29.587   38.489   13.878 42.54900 32.67995 
1 1 1  -62   18   18 o   54.577   16.174  1526.77  767.878 -3148.7009  2821.57  1900.75  797.997   42.042   20.927   61.150   15.917 -19.10750 26.29271 
1 1 1  -62   18   19 o   70.223   18.719  2865.21  1086.78  2349.02  3280.75  2928.84  1151.81   53.781   25.832   69.881   19.538 -16.09999 32.38904 
1 1 1  -62   18   20 o   58.837   19.260  2346.85  1060.53  1881.56  3547.31  2392.52  1111.36   46.699   23.281   58.542   19.732 -11.84305 30.51800 
1 1 1  -62   20    1 o  138.177   33.154  8972.44  3672.22   0.0000   0.0000  8972.44  3672.22  ?   ?   138.177   33.154 0.000000 33.15445 
1 1 1  -62   20    2 o  264.334   33.335 32209.30  6995.55   0.0000   0.0000 32209.30  6995.55  ?   ?   264.334   33.335 0.000000 33.33471 
1 1 1  -62   20    3 o   73.606   30.933  946.042  3133.61   0.0000   0.0000  946.042  3133.61  ?   ?    73.606   30.933 0.000000 30.93312 
1 1 1  -62   20    4 o  257.009   15.681 27730.79  3256.77   0.0000   0.0000 27730.79  3256.77  ?   ?   257.009   15.681 0.000000 15.68135 
1 1 1  -62   20    5 o  158.742   13.464 10547.51  1719.07   0.0000   0.0000 10547.51  1719.07  ?   ?   158.742   13.464 0.000000 13.46416 
1 1 1  -62   20    6 o   17.911   8.0740 -127.4053  248.081 -1143.9041  1501.68 -98.8850  251.537   40.780   18.928   18.532   8.2586 22.24830 20.65118 
1 1 1  -62   20    7 o  161.295   13.913 10961.37  1804.33  4000.82  3759.88 13043.97  2056.62   94.800   35.776  175.759   14.542 -80.95900 38.61800 
1 1 1  -62   20    8 o   98.786   13.573  4159.42  1059.90   0.0000   0.0000  4159.42  1059.90  ?   ?    98.786   13.573 0.000000 13.57252 
1 1 1  -62   20    9 o   28.127   11.385  149.163  403.698 -1813.4290  1863.20  245.836  413.522   42.736   20.227   30.199   11.744 12.53618 23.38892 
1 1 1  -62   20   10 o   46.575   14.311  927.962  593.532  960.503  2110.85  925.168  618.485   61.729   25.622   46.658   14.654 15.07058 29.51664 
1 1 1  -62   20   11 o   92.584   10.162  3612.12  751.402  1686.59  2464.24  3809.51  788.975   68.971   28.053   95.029   10.395 -26.05808 29.91643 
1 1 1  -62   20   12 o   58.660   9.4479  1467.39  434.725  2539.11  2217.67  1424.56  443.326   73.638   27.539   57.673   9.8188 15.96472 29.23688 
1 1 1  -62   20   13 o   58.925   10.002  1495.07  461.446 -2190.3630  2315.04  1647.55  470.895   45.515   21.819   62.033   9.6638 -16.51718 23.86317 
1 1 1  -62   20   14 o  113.744   9.1689  5467.92  839.615  595.271  2975.91  5889.33  875.170   61.631   27.856  118.053   9.2028 -56.42193 29.33696 
1 1 1  -62   20   15 o   68.082   10.693  2029.05  571.612  920.921  2425.15  2094.23  588.184   58.104   25.782   69.123   10.836 -11.01915 27.96693 
1 1 1  -62   20   16 o  130.942   10.110  7439.20  1066.53  6613.73  3682.73  7514.77  1114.28   86.345   34.584  131.242   10.545 -44.89688 36.15644 
1 1 1  -62   20   17 o   49.793   17.912  1253.40  923.740 -1147.0470  2677.93  1577.60  984.144   46.572   22.604   54.515   18.568 -7.943611 29.25235 
1 1 1  -62   20   18 o   50.085   18.348  1406.55  975.373 -2548.0330  2921.11  1902.78  1034.76   41.915   20.932   56.876   19.041 -14.96108 28.29666 
1 1 1  -62   20   19 o   59.076   19.845  2360.29  1124.11  2692.77  3341.23  2317.86  1193.69   50.240   24.574   57.424   20.393 -7.183907 31.93358 
1 1 1  -62   22    1 o  124.391   35.398  7598.85  3746.11   0.0000   0.0000  7598.85  3746.11  ?   ?   124.391   35.398 0.000000 35.39752 
1 1 1  -62   22    2 o  234.112   35.691 26458.71  6569.91   0.0000   0.0000 26458.71  6569.91  ?   ?   234.112   35.691 0.000000 35.69079 
1 1 1  -62   22    3 o   84.579   34.398  2306.56  3704.60   0.0000   0.0000  2306.56  3704.60  ?   ?    84.579   34.398 0.000000 34.39751 
1 1 1  -62   22    4 o  219.865   16.062 20496.22  2847.55   0.0000   0.0000 20496.22  2847.55  ?   ?   219.865   16.062 0.000000 16.06177 
1 1 1  -62   22    5 f   43.842   12.660  819.154  475.848   0.0000   0.0000  819.154  475.848  ?   ?    43.842   12.660 0.000000 12.65993 
1 1 1  -62   22    6 o  109.852   12.827  5103.94  1122.59  6413.76  3268.73  4928.80  1195.29  112.892   33.349  107.512   14.026 5.379356 36.17892 
1 1 1  -62   22    7 o   35.393   13.313  400.947  519.702  3413.34  2425.62  256.009  532.058   85.410   29.150   33.127   13.186 52.28307 31.99364 
1 1 1  -62   22    8 f   44.064   15.031  776.586  644.937 -884.6076  2339.38  913.227  670.938   53.188   24.297   46.848   15.318 6.339775 28.72222 
1 1 1  -62   22    9 o  134.454   14.580  7788.71  1566.19  5117.41  3421.32  8496.90  1761.60   97.991   34.555  139.815   15.794 -41.82460 37.99350 
1 1 1  -62   22   10 o   96.890   15.528  4140.21  1180.39  1074.91  3183.27  4628.88  1271.00   69.430   30.211  102.421   15.791 -32.99065 34.08866 
1 1 1  -62   22   11 o   35.976   14.590  289.607  664.296 -923.2622  2471.35  384.065  689.679   52.861   24.445   37.791   15.023 15.07022 28.69242 
1 1 1  -62   22   12 f   37.321   10.831  603.033  347.507 -1426.1331  2668.24  638.045  350.492   51.903   24.455   38.294   10.803 13.60914 26.73483 
1 1 1  -62   22   13 o   44.070   11.883  864.247  434.913  586.538  2908.58  870.598  439.858   61.033   27.567   44.220   11.962 16.81306 30.04995 
1 1 1  -62   22   14 o   72.490   9.7889  2270.70  561.433  5860.37  3270.07  2161.67  569.895   90.270   33.503   70.499   10.257 19.77090 35.03799 
1 1 1  -62   22   15 o   92.457   10.005  3720.00  739.102 -2507.2991  3628.62  3989.54  754.929   51.230   25.171   95.883   9.8360 -44.65239 27.02434 
1 1 1  -62   22   16 o   39.349   16.700  415.984  927.953  3047.99  3474.88  213.872  962.922   63.481   29.225   37.789   16.525 25.69167 33.57315 
1 1 1  -62   22   17 o   34.467   15.498   41.032  907.474 -2495.0210  3979.88  180.115  932.026   46.760   23.504   36.009   15.981 10.75140 28.42214 
1 1 1  -62   22   18 o   66.287   20.988  3011.46  1266.38  551.482  4126.09  3267.29  1330.60   47.271   23.784   68.435   21.495 -21.16427 32.05754 
1 1 1  -62   24    1 o  104.594   36.317  5414.57  3770.99   0.0000   0.0000  5414.57  3770.99  ?   ?   104.594   36.317 0.000000 36.31693 
1 1 1  -62   24    2 o   80.600   31.967  2387.38  3116.35   0.0000   0.0000  2387.38  3116.35  ?   ?    80.600   31.967 0.000000 31.96701 
1 1 1  -62   24    3 o   60.110   28.216 -2381.8459  3494.22   0.0000   0.0000 -2381.8459  3494.22  ?   ?    60.110   28.216 0.000000 28.21600 
1 1 1  -62   24    4 o   35.510   13.104  426.625  498.799   0.0000   0.0000  426.625  498.799  ?   ?    35.510   13.104 0.000000 13.10365 
1 1 1  -62   24    5 o   59.817   16.127  1580.80  801.108   0.0000   0.0000  1580.80  801.108  ?   ?    59.817   16.127 0.000000 16.12677 
1 1 1  -62   24    6 o   37.617   14.546  415.293  631.610  1422.27  3392.95  379.145  642.846   74.533   31.791   37.253   14.599 37.27966 34.98307 
1 1 1  -62   24    7 o  144.906   16.198  9143.71  1873.27   0.0000   0.0000  9143.71  1873.27  ?   ?   144.906   16.198 0.000000 16.19829 
1 1 1  -62   24    8 o   50.150   16.864  1057.37  811.725  1490.72  3096.78  1025.40  841.135   71.488   30.429   49.842   17.161 21.64626 34.93468 
1 1 1  -62   24    9 o   92.136   17.356  3842.69  1250.81  2304.97  3601.36  4053.62  1333.84   77.245   32.846   94.302   18.078 -17.05702 37.49189 
1 1 1  -62   24   10 o   89.111   34.055  4582.74  3433.95  4582.74  3433.95   0.0000   0.0000   89.111   34.055  ?   ?  0.000000 34.05468 
1 1 1  -62   24   11 o   95.521   18.019  4252.36  1346.28  3109.26  4160.20  4386.07  1422.84   78.724   34.389   96.486   18.838 -17.76204 39.21036 
1 1 1  -62   24   12 o   31.316   14.477 -523.3134  865.516  4017.66  3305.79 -857.4992  896.799   80.292   32.552   29.655   14.035 50.63735 35.44868 
1 1 1  -62   24   13 o   73.262   9.5219  2315.27  553.037  6163.42  3898.31  2236.24  558.687   87.262   35.359   71.845   9.8353 15.41697 36.70157 
1 1 1  -62   24   14 o   72.504   21.034  2852.35  1310.85  1719.87  3748.25  3010.16  1399.21   62.845   29.412   73.768   21.827 -10.92234 36.62579 
1 1 1  -62   24   15 o   87.623   20.502  4244.97  1432.74  2491.35  4668.79  4427.28  1505.37   61.350   29.793   88.674   21.196 -27.32400 36.56333 
1 1 1  -62   24   16 o   55.083   20.403  1843.99  1211.56  1618.67  5098.97  1857.47  1247.28   54.656   27.348   55.069   20.641 -0.4131432 34.26371 
1 1 1  -62   24   17 o   72.012   22.399  3722.13  1448.94  3415.15  5038.64  3749.80  1512.84   51.376   25.904   70.886   22.993 -19.51051 34.63615 
1 1 1  -62   26    1 o   75.509   31.026  1873.27  3053.10   0.0000   0.0000  1873.27  3053.10  ?   ?    75.509   31.026 0.000000 31.02620 
1 1 1  -62   26    2 o  149.269   40.478 12648.61  5029.77   0.0000   0.0000 12648.61  5029.77  ?   ?   149.269   40.478 0.000000 40.47840 
1 1 1  -62   26    3 o   62.432   16.304  1735.88  835.495   0.0000   0.0000  1735.88  835.495  ?   ?    62.432   16.304 0.000000 16.30436 
1 1 1  -62   26    4 o   78.754   16.630  2766.69  1030.08   0.0000   0.0000  2766.69  1030.08  ?   ?    78.754   16.630 0.000000 16.63028 
1 1 1  -62   26    5 o   67.055   17.299  2032.54  948.078   0.0000   0.0000  2032.54  948.078  ?   ?    67.055   17.299 0.000000 17.29870 
1 1 1  -62   26    6 o   84.009   17.253  3186.05  1137.49   0.0000   0.0000  3186.05  1137.49  ?   ?    84.009   17.253 0.000000 17.25311 
1 1 1  -62   26    7 o   55.976   18.282  1385.85  955.833 -3295.4761  4494.35  1607.62  978.212   62.259   29.988   59.559   18.385 2.699570 35.17501 
1 1 1  -62   26    8 f  116.754   17.440  6173.39  1602.60  1752.69  5222.01  6633.04  1683.86   79.005   36.169  120.926   17.671 -41.92118 40.25501 
1 1 1  -62   26    9 o   89.701   19.684  3834.20  1394.28  694.772  4771.05  4127.35  1457.92   72.167   33.577   93.010   19.906 -20.84289 39.03406 
1 1 1  -62   26   10 o  144.759   18.387  9792.13  2112.46  6648.67  6106.77 10219.41  2251.46   89.951   40.344  146.925   19.343 -56.97411 44.74153 
1 1 1  -62   26   11 o   84.315   20.654  3587.85  1402.79 -2538.4939  4368.61  4292.15  1481.23   58.003   28.312   92.873   20.216 -34.86998 34.78894 
1 1 1  -62   26   12 o   69.496   20.206  2509.92  1208.45  3391.22  4080.18  2425.18  1265.21   71.575   32.459   67.856   20.902 3.718399 38.60719 
1 1 1  -62   26   13 o   31.143   14.820 -890.9384  1027.15  402.348  4612.98 -958.4041  1053.60   59.816   29.174   31.231   14.903 28.58487 32.76018 
1 1 1  -62   26   14 o   49.262   19.497  1209.57  1156.98 -2326.7739  5127.90  1399.25  1187.61   52.783   26.552   51.485   19.935 1.298347 33.20254 
1 1 1  -62   26   15 o   61.532   21.983  2529.67  1388.93  7610.21  5704.83  2209.53  1432.02   62.061   30.694   57.513   21.989 4.548725 37.75758 
1 1 1  -62   28    1 o  201.630   14.574 17496.73  2369.97   0.0000   0.0000 17496.73  2369.97  ?   ?   201.630   14.574 0.000000 14.57417 
1 1 1  -62   28    2 o  136.219   16.954  8209.37  1834.64   0.0000   0.0000  8209.37  1834.64  ?   ?   136.219   16.954 0.000000 16.95413 
1 1 1  -62   28    3 o   21.867   10.473 -709.4996  530.794   0.0000   0.0000 -709.4996  530.794  ?   ?    21.867   10.473 0.000000 10.47306 
1 1 1  -62   28    4 o   47.376   16.575  915.818  786.186   0.0000   0.0000  915.818  786.186  ?   ?    47.376   16.575 0.000000 16.57478 
1 1 1  -62   28    5 o   54.028   17.745  1289.32  900.000   0.0000   0.0000  1289.32  900.000  ?   ?    54.028   17.745 0.000000 17.74496 
1 1 1  -62   28    6 o   77.836   18.974  2858.12  1188.27   0.0000   0.0000  2858.12  1188.27  ?   ?    77.836   18.974 0.000000 18.97374 
1 1 1  -62   28    7 o   96.227   18.782  4356.25  1414.85  9383.58  6900.62  4135.63  1445.56  100.938   44.186   93.038   19.746 7.899620 48.39748 
1 1 1  -62   28    8 o   34.516   15.266 -103.9762  843.401  6373.80  5865.62 -240.7299  852.257   89.076   39.775   33.434   15.028 55.64137 42.51897 
1 1 1  -62   28    9 o   81.233   37.935  5125.67  6180.02  5125.67  6180.02   0.0000   0.0000   81.233   37.935  ?   ?  0.000000 37.93481 
1 1 1  -62   28   10 o   40.838   17.611  253.445  1062.39  6074.69  5200.98  -0.0228  1085.27   81.047   36.711   38.933   17.263 42.11375 40.56734 
1 1 1  -62   28   11 o   32.799   15.369 -650.5953  1029.10 -3377.2910  6434.69 -579.0222  1042.52   59.351   29.840   33.490   15.620 25.86132 33.68111 
1 1 1  -62   28   12 o   58.476   21.006  1916.09  1269.93 -4168.5269  5748.01  2228.33  1302.10   53.730   27.160   62.304   21.357 -8.574512 34.55105 
1 1 1  -62   28   13 o   60.595   21.852  2301.51  1375.64 -3249.3721  5245.92  2711.40  1425.53   50.404   25.532   65.146   22.345 -14.74200 33.92922 
1 1 1  -62   28   14 o   40.219   18.436  279.056  1362.58 -3064.9021  5983.72  461.936  1399.35   48.293   24.711   41.651   18.935 6.642281 31.13178 
1 1 1  -62   30    1 o   64.897   18.530  1973.82  1024.81   0.0000   0.0000  1973.82  1024.81  ?   ?    64.897   18.530 0.000000 18.53032 
1 1 1  -62   30    2 o   53.595   18.024  1275.06  927.290   0.0000   0.0000  1275.06  927.290  ?   ?    53.595   18.024 0.000000 18.02448 
1 1 1  -62   30    3 o   50.349   17.929  1071.92  923.253   0.0000   0.0000  1071.92  923.253  ?   ?    50.349   17.929 0.000000 17.92938 
1 1 1  -62   30    4 o  118.431   18.801  6577.29  1747.53   0.0000   0.0000  6577.29  1747.53  ?   ?   118.431   18.801 0.000000 18.80103 
1 1 1  -62   30    5 o  157.590   19.817 11844.87  2479.63   0.0000   0.0000 11844.87  2479.63  ?   ?   157.590   19.817 0.000000 19.81671 
1 1 1  -62   30    6 o  180.314   20.976 15956.28  3013.70   0.0000   0.0000 15956.28  3013.70  ?   ?   180.314   20.976 0.000000 20.97604 
1 1 1  -62   30    7 f   97.527   21.425  4867.51  1650.28   0.0000   0.0000  4867.51  1650.28  ?   ?    97.527   21.425 0.000000 21.42534 
1 1 1  -62   30    8 o   51.705   26.263 -10253.5195  5812.42 -17045.8301  7328.53  1264.45  9543.25   52.077   26.698   70.891   35.731 -18.81432 44.60369 
1 1 1  -62   30    9 o   33.538   15.584 -514.6592  1022.33 -2991.8770  7689.16 -470.0797  1031.49   61.828   31.272   33.997   15.747 27.83130 35.01323 
1 1 1  -62   30   10 o   66.272   22.738  2624.20  1476.11 12182.98  8003.15  2287.57  1501.87   75.027   36.964   62.181   22.770 12.84636 43.41406 
1 1 1  -62   30   11 o   34.905   16.406 -529.9756  1187.82 -1472.2820  7370.35 -504.8481  1203.56   56.029   28.564   35.264   16.555 20.76434 33.01459 
1 1 1  -62   30   12 o   46.450   20.307  1004.41  1453.28 -1557.5000  8481.20  1081.91  1475.10   52.803   27.149   47.111   20.531 5.692142 34.03798 
1 1 1  -62   32    1 o   45.140   18.228  660.704  1032.15   0.0000   0.0000  660.704  1032.15  ?   ?    45.140   18.228 0.000000 18.22818 
1 1 1  -62   32    2 o  ?   ?  -2042.7690  484.249   0.0000   0.0000 -2042.7690  484.249  ?   ?   ?   ?  0.000000      ? 
1 1 1  -62   32    3 o   37.691   16.240  157.287  902.045   0.0000   0.0000  157.287  902.045  ?   ?    37.691   16.240 0.000000 16.24038 
1 1 1  -62   32    4 o  126.093   21.265  8123.80  2099.71   0.0000   0.0000  8123.80  2099.71  ?   ?   126.093   21.265 0.000000 21.26480 
1 1 1  -62   32    5 o   92.541   22.540  4639.14  1677.94   0.0000   0.0000  4639.14  1677.94  ?   ?    92.541   22.540 0.000000 22.53980 
1 1 1  -62   32    6 o   53.209   20.533  1358.45  1256.48   0.0000   0.0000  1358.45  1256.48  ?   ?    53.209   20.533 0.000000 20.53258 
1 1 1  -62   32    7 o   53.484   27.474 -13761.5996  8250.45   0.0000   0.0000 -13761.5996  8250.45  ?   ?    53.484   27.474 0.000000 27.47352 
1 1 1  -62   32    8 o   76.979   23.679  3691.59  1624.33 -10645.4502 13443.74  3903.99  1636.32   58.505   30.244   79.458   23.625 -20.95319 38.37807 
1 1 1  -62   32    9 o   55.085   21.866  1815.91  1459.16  3503.85 11758.57  1789.51  1470.53   59.146   30.484   54.802   21.888 4.343662 37.52850 
1 1 1  -61    1    1 o  112.573   14.156  5253.64  1265.29  5531.01  1752.30  4951.47  1828.94  114.565   19.538  107.876   21.633 6.689407 29.15022 
1 1 1  -61    1    2 o  137.596   14.729  7820.68  1620.05  7984.39  2254.92  7646.01  2329.08  137.910   20.782  134.616   22.074 3.293365 30.31750 
1 1 1  -61    1    3 f  475.703   28.137 94345.23 10819.84 107516.30 13091.36 65956.49 19219.72  506.007   32.028  376.349   65.261 129.6578 72.69657 
1 1 1  -61    1    4 o  200.690   10.871 16460.05  1764.91 16221.31  2514.74 16691.78  2477.58  198.509   15.731  201.465   15.259 -2.955750 21.91552 
1 1 1  -61    1    5 o  202.257   15.635 16841.95  2547.76   0.0000   0.0000 16841.95  2547.76  ?   ?   202.257   15.635 0.000000 15.63518 
1 1 1  -61    1    6 o  304.780   15.621 38144.00  3852.80 38224.43  5483.59 38065.61  5414.45  303.297   22.426  302.739   22.181 0.5575867 31.54232 
1 1 1  -61    1    7 o   85.984   8.1606  3036.40  562.915  2640.63  841.875  3356.42  757.032   79.270   13.568   90.119   10.545 -10.84980 17.18369 
1 1 1  -61    1    8 o  479.997   23.976 95903.55  9344.58 93894.99 13234.08 97900.72 13196.47  467.280   35.137  477.856   34.238 -10.57629 49.06004 
1 1 1  -61    1    9 o  311.403   16.242 39984.48  4092.47 40576.39  5803.08 39398.83  5772.31  311.278   23.125  306.608   23.362 4.670197 32.87180 
1 1 1  -61    1   10 o   71.461   11.203  2137.21  628.697  2097.80  965.317  2166.25  828.505   69.936   17.134   71.321   14.792 -1.385078 22.63565 
1 1 1  -61    1   11 o  486.233   24.987 100277.40  9831.48 96189.74 13927.89 104337.00 13879.85  464.293   37.259  485.701   35.439 -21.40817 51.42145 
1 1 1  -61    1   12 o  262.956   14.669 28673.12  3119.57 27690.64  4432.75 29637.18  4391.02  255.315   21.585  264.708   20.592 -9.392975 29.83150 
1 1 1  -61    1   13 o  174.340   11.484 12577.08  1616.50 13787.42  2317.52 11430.28  2255.87  181.042   15.928  164.250   17.169 16.79207 23.41904 
1 1 1  -61    1   14 o   61.729   14.352  1655.97  705.702  1981.29  1130.68  1448.38  903.225   67.124   19.553   58.042   17.620 9.081551 26.32079 
1 1 1  -61    1   15 o  135.756   11.568  7727.70  1263.01  7550.30  1770.32  7911.60  1802.45  131.857   16.926  135.080   16.796 -3.223480 23.84548 
1 1 1  -61    1   16 o  119.589   11.988  6060.63  1148.41  5794.66  1574.55  6362.92  1678.63  114.287   17.527  119.691   17.816 -5.404488 24.99178 
1 1 1  -61    1   17 o   67.742   8.2889  1927.69  446.414  1702.60  1077.63  1974.32  490.478   61.132   19.362   68.351   9.0610 -7.218472 21.37715 
1 1 1  -61    1   18 o  104.719   8.6616  4604.16  729.871  2981.19  1529.82  5082.46  830.483   77.129   22.823  109.737   9.4116 -32.60844 24.68756 
1 1 1  -61    1   19 o   81.089   8.6161  2789.17  558.607  2812.74  1537.71  2785.58  599.567   73.160   23.124   80.750   9.3153 -7.590492 24.92976 
1 1 1  -61    1   20 o  130.152   7.3005  7115.09  768.392  7288.83  1101.94  6950.66  1072.02  129.406   10.580  126.382   10.543 3.024155 14.93614 
1 1 1  -61    1   21 o   72.338   7.5680  2240.06  437.935  2401.86  610.322  2068.34  628.757   73.233   10.570   66.998   11.999 6.234924 15.99043 
1 1 1  -61    1   22 o   15.540   7.2780 -202.3978  230.222 -164.0387  317.402 -244.9837  334.431   19.438   8.9055   19.029   8.8656 0.4088593 12.56610 
1 1 1  -61    1   23 o   57.850   8.3894  1519.99  382.574  1169.63  531.579  1896.46  551.028   46.863   13.334   62.217   11.325 -15.35389 17.49396 
1 1 1  -61    3    1 o  761.345   30.342 241449.00 18756.87 229676.80 22828.85 265907.31 32905.54  736.151   38.325  778.341   52.371 -42.18958 64.89668 
1 1 1  -61    3    2 o  326.830   15.425 43666.97  4093.48 42095.93  4867.14 47464.34  7566.96  319.823   18.825  337.048   27.901 -17.22556 33.65773 
1 1 1  -61    3    3 o  523.725   26.474 113998.10 11221.59 122316.20 13592.69 96195.70 19885.38  540.181   31.122  464.573   53.706 75.60852 62.07182 
1 1 1  -61    3    4 o  416.089   30.035 72661.78 10079.11 72661.78 10079.11   0.0000   0.0000  416.089   30.035  ?   ?  0.000000 30.03489 
1 1 1  -61    3    5 o  292.530   15.138 35105.82  3583.32 34167.43  5145.43 35989.50  4993.17  286.856   22.266  294.807   20.997 -7.950439 30.60416 
1 1 1  -61    3    6 o  354.230   25.472 52414.36  7277.51   0.0000   0.0000 52414.36  7277.51  ?   ?   354.230   25.472 0.000000 25.47229 
1 1 1  -61    3    7 o  339.758   16.780 47399.32  4629.15 52597.43  6627.34 42446.98  6468.76  355.420   23.090  318.349   25.232 37.07108 34.20223 
1 1 1  -61    3    8 o  234.630   12.914 22583.39  2450.84 22008.81  3546.31 23108.72  3390.93  230.195   19.147  236.266   17.807 -6.071335 26.14738 
1 1 1  -61    3    9 o  226.200   12.742 21006.76  2330.74 19966.38  3379.56 21950.43  3218.64  218.955   19.203  230.167   17.350 -11.21133 25.88019 
1 1 1  -61    3   10 o  322.040   16.791 42903.62  4375.40 44632.21  6257.61 41250.13  6120.17  325.452   23.846  312.595   24.304 12.85645 34.04855 
1 1 1  -61    3   11 o  199.338   11.953 16349.67  1925.71 17127.30  2822.60 15672.53  2633.90  202.587   17.326  193.861   16.902 8.726089 24.20465 
1 1 1  -61    3   12 o  124.400   10.302  6384.09  1031.18  7402.73  1601.27  5662.34  1347.87  132.890   15.109  116.140   14.617 16.74956 21.02192 
1 1 1  -61    3   13 o  213.806   12.993 18994.35  2244.85 17164.78  3257.47 20649.11  3097.94  199.900   20.353  220.989   17.406 -21.08841 26.78071 
1 1 1  -61    3   14 o   93.637   7.7936  3617.39  587.163  2378.91  1326.70  3919.06  654.782   73.062   21.151   97.374   8.3627 -24.31232 22.74415 
1 1 1  -61    3   15 o  259.820   12.593 28270.57  2656.60 25687.77  4805.00 29407.66  3188.21  235.922   25.488  262.954   14.994 -27.03206 29.57184 
1 1 1  -61    3   16 o   94.425   7.8008  3697.83  592.735  5423.33  1427.17  3338.16  651.591  111.058   16.313   89.335   9.1104 21.72343 18.68424 
1 1 1  -61    3   17 o   27.619   10.323  248.139  311.531  224.160  1198.38  249.877  322.623   44.261   18.887   27.923   10.492 16.33817 21.60511 
1 1 1  -61    3   18 o   92.833   8.4694  3620.44  631.372  2835.30  1634.89  3758.06  684.474   74.763   23.866   94.376   9.0429 -19.61274 25.52189 
1 1 1  -61    3   19 o   31.667   10.907  401.323  339.782  252.061  1429.79  410.258  349.803   46.026   20.131   32.033   11.064 13.99260 22.97168 
1 1 1  -61    3   20 o   51.320   10.481  1175.01  421.989  1596.75  1350.90  1129.40  444.219   56.584   21.422   50.008   11.217 6.576870 24.18122 
1 1 1  -61    3   21 o   29.079   11.301  281.279  382.776  853.067  1660.86  249.204  393.365   48.880   21.530   28.657   11.360 20.22386 24.34311 
1 1 1  -61    3   22 o   26.161   10.484  205.026  338.630 -617.7596  1797.34  235.307  344.805   39.390   18.971   26.910   10.646 12.47974 21.75362 
1 1 1  -61    3   23 o   30.432   11.461  408.951  385.424  1168.02  1979.93  379.054  392.941   43.692   20.729   29.884   11.496 13.80743 23.70327 
1 1 1  -61    5    1 o  157.349   11.185 10138.85  1419.68 11067.24  1612.71  6942.02  2992.61  164.305   12.175  126.696   29.621 37.60924 32.02525 
1 1 1  -61    5    2 o   75.611   9.2000  2361.13  553.179  2673.29  593.464  293.145  1527.47   80.518   9.2451   52.555   21.803 27.96309 23.68234 
1 1 1  -61    5    3 o  366.206   17.843 54991.20  5305.44 56730.87  6355.56 50992.36  9635.79  370.617   21.208  346.352   34.731 24.26520 40.69450 
1 1 1  -61    5    4 o  323.821   24.096 43617.31  6290.17 43617.31  6290.17   0.0000   0.0000  323.821   24.096  ?   ?  0.000000 24.09567 
1 1 1  -61    5    5 o  220.675   17.879 20121.01  3176.09 20121.01  3176.09   0.0000   0.0000  220.675   17.879  ?   ?  0.000000 17.87933 
1 1 1  -61    5    6 o  220.045   12.029 19824.82  2141.05 19951.09  3152.75 19716.74  2916.80  219.648   17.832  218.623   16.554 1.025009 24.33109 
1 1 1  -61    5    7 o  166.424   13.624 11405.84  1824.88   0.0000   0.0000 11405.84  1824.88  ?   ?   166.424   13.624 0.000000 13.62400 
1 1 1  -61    5    8 o  541.309   26.676 122885.30 11724.76 127263.50 16707.99 118637.50 16457.48  540.705   38.304  521.182   39.176 19.52283 54.79044 
1 1 1  -61    5    9 o  447.831   22.138 83509.66  8049.84 88005.77 11507.60 79201.35 11264.68  453.063   31.477  428.889   32.591 24.17365 45.30963 
1 1 1  -61    5   10 o   60.805   11.531  1562.36  548.466  881.614  921.096  1936.31  682.687   49.926   17.895   67.621   12.905 -17.69431 22.06232 
1 1 1  -61    5   11 o  109.996   9.8382  4985.99  869.408  3742.63  1381.18  5801.96  1118.89   93.204   18.897  118.366   11.799 -25.16182 22.27846 
1 1 1  -61    5   12 o  371.761   15.580 57412.13  4702.90 56346.86  8326.72 57911.13  5698.89  357.624   28.923  370.906   18.987 -13.28268 34.59811 
1 1 1  -61    5   13 o  210.568   9.6890 18215.08  1656.56 20422.29  3102.21 17334.63  1959.30  219.415   17.560  204.497   11.851 14.91830 21.18460 
1 1 1  -61    5   14 o  123.523   7.8423  6281.66  782.475  5230.79  1684.75  6570.69  883.551  108.641   19.829  126.150   8.6787 -17.50962 21.64553 
1 1 1  -61    5   15 o   57.289   8.5588  1380.96  385.925  1208.94  1170.55  1401.94  408.781   55.688   20.146   57.622   9.0340 -1.933819 22.07870 
1 1 1  -61    5   16 o   87.996   8.2027  3223.81  579.328  2466.93  1459.59  3365.34  631.174   72.653   22.462   89.765   8.7718 -17.11275 24.11448 
1 1 1  -61    5   17 o  144.206   9.0092  8689.49  1049.60  8008.63  2082.09  8921.47  1215.32  131.341   20.168  145.469   10.357 -14.12776 22.67220 
1 1 1  -61    5   18 o   35.028   11.538  508.777  380.373  995.295  1138.03  447.590  403.583   50.869   19.565   33.862   11.874 17.00730 22.88660 
1 1 1  -61    5   19 o   66.668   9.9368  1926.41  521.468  2368.53  1357.38  1849.86  564.811   67.759   21.759   64.803   11.136 2.955795 24.44267 
1 1 1  -61    5   20 o   64.976   9.7874  1849.46  500.348  323.762  1458.90  2052.85  532.654   45.386   20.075   68.475   9.8649 -23.08954 22.36765 
1 1 1  -61    5   21 f   13.135   6.4652 -489.0840  242.972 -846.4663  1308.57 -476.3230  247.272   35.048   16.692   13.426   6.5914 21.62170 17.94627 
1 1 1  -61    5   22 o   38.169   12.297  704.708  433.293 -87.2951  1529.15  773.850  451.810   39.297   18.515   39.746   12.531 -0.4485359 22.35699 
1 1 1  -61    5   23 o   38.100   13.494  771.377  522.319  2210.43  2085.40  675.059  539.516   47.457   22.120   36.258   13.578 11.19935 25.95499 
1 1 1  -61    7    1 o   72.151   24.296  2019.27  1684.88   0.0000   0.0000  2019.27  1684.88  ?   ?    72.151   24.296 0.000000 24.29611 
1 1 1  -61    7    2 f  179.541   25.392 13601.33  3598.39   0.0000   0.0000 13601.33  3598.39  ?   ?   179.541   25.392 0.000000 25.39171 
1 1 1  -61    7    3 o  244.111   12.156 24311.44  2409.45 21092.36  2775.49 34158.37  4854.27  226.572   15.174  287.245   20.958 -60.67354 25.87432 
1 1 1  -61    7    4 o   77.988   12.631  2545.56  772.488  2545.56  772.488   0.0000   0.0000   77.988   12.631  ?   ?  0.000000 12.63099 
1 1 1  -61    7    5 o  428.628   31.526 77729.41 10895.05 77729.41 10895.05   0.0000   0.0000  428.628   31.526  ?   ?  0.000000 31.52604 
1 1 1  -61    7    6 o  130.610   14.020  7058.87  1463.54  7058.87  1463.54   0.0000   0.0000  130.610   14.020  ?   ?  0.000000 14.01972 
1 1 1  -61    7    7 o  279.156   13.730 31901.04  3112.01 37333.59  4559.11 27161.57  4258.37  300.352   18.789  255.455   20.708 44.89650 27.96167 
1 1 1  -61    7    8 o  280.488   14.871 32374.48  3374.70 32153.55  4933.67 32568.73  4626.25  277.302   22.095  279.654   20.517 -2.351776 30.15196 
1 1 1  -61    7    9 o  314.136   15.685 40615.86  4000.85 45272.93  5818.31 36438.76  5510.34  328.866   21.915  294.329   23.246 34.53717 31.94759 
1 1 1  -61    7   10 o  375.857   19.243 58902.46  5853.02 59960.21  8423.89 57915.20  8138.33  373.858   27.953  367.746   27.453 6.112823 39.17932 
1 1 1  -61    7   11 o  123.263   9.9176  6257.42  984.204  6702.16  1653.00  6013.17  1225.01  126.072   16.548  120.257   12.740 5.815056 20.88349 
1 1 1  -61    7   12 o  125.268   7.6836  6434.53  777.750  6888.66  1647.96  6304.39  882.176  127.522   16.288  123.792   8.8346 3.730568 18.52938 
1 1 1  -61    7   13 o  183.674   8.8810 13847.21  1324.49 17284.70  2563.81 12595.82  1546.90  202.324   15.730  174.350   10.983 27.97385 19.18490 
1 1 1  -61    7   14 o   92.265   7.8695  3518.72  583.920  3386.56  1396.96  3546.70  642.764   86.663   20.222   92.462   8.6625 -5.798691 21.99912 
1 1 1  -61    7   15 o  122.345   8.3097  6196.17  820.592  5236.88  1775.04  6456.91  925.417  106.976   21.185  124.634   9.2098 -17.65867 23.10025 
1 1 1  -61    7   16 o   48.231   10.414  1007.16  395.883  2828.10  1275.06  812.898  416.465   77.908   20.042   43.220   11.617 34.68774 23.16520 
1 1 1  -61    7   17 o  166.934   9.5496 11690.35  1289.03 10721.95  2594.72 12007.67  1485.28  150.141   21.931  168.364   10.924 -18.22322 24.50095 
1 1 1  -61    7   18 o  134.719   8.9733  7642.24  975.945  7568.01  2035.57  7664.40  1112.10  125.046   20.778  134.168   10.287 -9.122498 23.18455 
1 1 1  -61    7   19 o   33.493   12.232  424.454  432.983  3281.81  1528.35  175.110  451.480   78.302   22.711   29.167   11.952 49.13504 25.66391 
1 1 1  -61    7   20 o  122.956   9.5967  6545.77  950.507  8136.14  2276.86  6210.11  1046.02  119.498   24.294  118.617   10.985 0.8807678 26.66195 
1 1 1  -61    7   21 o   31.321   11.590  389.758  390.763  1218.30  1790.60  348.326  400.414   50.834   22.374   30.590   11.643 20.24447 25.22224 
1 1 1  -61    7   22 o   29.565   11.720  314.988  418.701  147.539  1966.71  322.938  428.525   42.379   20.261   29.862   11.851 12.51678 23.47190 
1 1 1  -61    7   23 o   29.214   11.629  349.236  413.835 -1155.0540  1777.72  435.426  425.525   33.749   16.768   30.970   11.949 2.778759 20.59019 
1 1 1  -61    9    1 o  137.237   26.349  8068.81  2829.42   0.0000   0.0000  8068.81  2829.42  ?   ?   137.237   26.349 0.000000 26.34939 
1 1 1  -61    9    2 o  333.392   29.861 46833.18  7997.83   0.0000   0.0000 46833.18  7997.83  ?   ?   333.392   29.861 0.000000 29.86100 
1 1 1  -61    9    3 o  411.087   34.628 71973.67 11450.90   0.0000   0.0000 71973.67 11450.90  ?   ?   411.087   34.628 0.000000 34.62830 
1 1 1  -61    9    4 o  102.108   12.570  4321.06  1020.14  3880.57  1089.47  7455.38  2906.18   96.364   14.363  131.217   28.122 -34.85226 31.57782 
1 1 1  -61    9    5 o  191.393   16.802 15151.48  2584.73 15151.48  2584.73   0.0000   0.0000  191.393   16.802  ?   ?  0.000000 16.80228 
1 1 1  -61    9    6 o  211.530   17.926 18544.92  3049.98 18544.92  3049.98   0.0000   0.0000  211.530   17.926  ?   ?  0.000000 17.92630 
1 1 1  -61    9    7 o  237.938   19.468 23547.02  3728.22 23547.02  3728.22   0.0000   0.0000  237.938   19.468  ?   ?  0.000000 19.46789 
1 1 1  -61    9    8 o  199.084   15.407 16389.67  2471.20   0.0000   0.0000 16389.67  2471.20  ?   ?   199.084   15.407 0.000000 15.40737 
1 1 1  -61    9    9 o  156.381   8.2888  9998.49  1048.72  5965.60  2116.18 11311.36  1207.41  117.428   23.017  166.262   8.9771 -48.83400 24.70590 
1 1 1  -61    9   10 o  197.630   9.2767 15959.42  1488.62 15181.58  2876.63 16243.90  1739.67  189.979   18.899  198.868   10.814 -8.889038 21.77451 
1 1 1  -61    9   11 o   64.690   10.413  1758.42  528.396  2293.16  1063.72  1583.25  608.823   72.638   18.101   60.881   12.726 11.75696 22.12655 
1 1 1  -61    9   12 o  257.357   11.253 27308.19  2351.51 29807.53  4363.38 26285.19  2791.58  263.527   20.554  251.201   13.738 12.32619 24.72314 
1 1 1  -61    9   13 o  210.448   9.9619 18260.07  1702.26 18741.44  3235.40 18075.82  2001.71  208.081   19.372  208.396   11.879 -0.3155518 22.72410 
1 1 1  -61    9   14 o  158.370   11.370 10487.87  1452.30  7870.10  2361.24 12080.75  1841.90  131.269   22.991  169.030   13.534 -37.76178 26.67887 
1 1 1  -61    9   15 o   26.217   9.9119  210.070  288.950 -1909.0240  1317.08  317.219  296.165   33.164   16.038   29.133   10.174 4.031391 18.99294 
1 1 1  -61    9   16 o  220.290   13.419 20794.64  2388.83 22352.75  3760.30 19740.33  3093.20  219.949   21.323  209.939   18.330 10.00980 28.11850 
1 1 1  -61    9   17 o   64.293   11.066  1793.92  556.847  684.848  1503.33  1970.28  599.489   51.649   21.546   67.334   11.370 -15.68488 24.36164 
1 1 1  -61    9   18 o   33.669   12.892  372.718  492.752  1180.46  1479.14  271.885  522.603   54.925   21.947   32.496   13.024 22.42911 25.52014 
1 1 1  -61    9   19 o   54.272   12.845  1350.69  557.239  1664.02  1706.77  1313.31  589.545   58.901   23.561   53.222   13.594 5.678177 27.20123 
1 1 1  -61    9   20 f   40.705   12.744  761.945  468.172 -1211.3330  1781.90  908.262  485.219   39.760   19.082   44.081   12.800 -4.320641 22.97712 
1 1 1  -61    9   21 o   35.828   13.101  562.538  496.922  1517.78  1970.15  497.639  513.525   52.048   23.160   34.758   13.196 17.29061 26.65560 
1 1 1  -61    9   22 o   24.069   10.630   0.8922  407.559 -996.4916  2087.02   40.436  415.560   38.289   18.866   24.817   10.854 13.47177 21.76557 
1 1 1  -61   11    1 o  232.222   25.707 22668.88  4766.00   0.0000   0.0000 22668.88  4766.00  ?   ?   232.222   25.707 0.000000 25.70749 
1 1 1  -61   11    2 o  207.019   26.714 18131.01  4385.72   0.0000   0.0000 18131.01  4385.72  ?   ?   207.019   26.714 0.000000 26.71436 
1 1 1  -61   11    3 f   49.583   22.660 -1313.3550  2037.76   0.0000   0.0000 -1313.3550  2037.76  ?   ?    49.583   22.660 0.000000 22.66016 
1 1 1  -61   11    4 o  109.581   33.347  5151.06  3232.36   0.0000   0.0000  5151.06  3232.36  ?   ?   109.581   33.347 0.000000 33.34699 
1 1 1  -61   11    5 o  169.735   17.163 11964.16  2332.92 11964.16  2332.92   0.0000   0.0000  169.735   17.163  ?   ?  0.000000 17.16319 
1 1 1  -61   11    6 o  188.123   17.712 14707.41  2673.58 14707.41  2673.58   0.0000   0.0000  188.123   17.712  ?   ?  0.000000 17.71158 
1 1 1  -61   11    7 o  114.845   15.248  5512.66  1386.77  5512.66  1386.77   0.0000   0.0000  114.845   15.248  ?   ?  0.000000 15.24840 
1 1 1  -61   11    8 o  128.019   11.613  6762.39  1193.98   0.0000   0.0000  6762.39  1193.98  ?   ?   128.019   11.613 0.000000 11.61281 
1 1 1  -61   11    9 o  118.064   9.2045  5727.83  875.413  6232.41  1555.87  5494.10  1058.93  121.752   16.136  115.226   11.471 6.525780 19.79764 
1 1 1  -61   11   10 o  283.059   15.696 33345.41  3593.36 31546.29  5309.70 34865.68  4880.90  270.647   24.425  286.661   21.118 -16.01404 32.28881 
1 1 1  -61   11   11 o   88.563   9.6753  3255.23  684.432  4536.55  1369.86  2828.95  790.123  102.799   17.006   81.922   12.255 20.87691 20.96160 
1 1 1  -61   11   12 o  199.531   12.570 16590.42  2026.15 14694.85  3120.57 17971.97  2664.09  183.353   21.361  206.070   16.049 -22.71658 26.71814 
1 1 1  -61   11   13 o   29.784   11.397  257.109  384.907 -702.5256  1190.41  369.151  406.756   37.679   17.257   32.647   11.866 5.032604 20.94261 
1 1 1  -61   11   14 o  141.738   10.895  8409.37  1244.23  8743.71  2180.89  8248.03  1514.97  139.992   19.734  139.222   13.574 0.7695923 23.95176 
1 1 1  -61   11   15 o  116.758   10.885  5749.68  1020.02  4912.65  1859.51  6109.95  1219.94  101.585   23.070  119.576   12.762 -17.99081 26.36459 
1 1 1  -61   11   16 o   84.780   11.022  3074.27  740.781  1981.07  1634.00  3357.08  831.095   65.979   23.812   88.295   11.895 -22.31606 26.61812 
1 1 1  -61   11   17 o   63.592   11.125  1763.12  553.509  1447.90  1573.54  1807.63  591.299   58.928   22.911   64.158   11.785 -5.230412 25.76398 
1 1 1  -61   11   18 o  129.911   9.3960  7175.30  984.438  4974.68  2369.45  7634.42  1082.27   90.999   28.698  133.592   10.051 -42.59394 30.40740 
1 1 1  -61   11   19 o   89.865   9.8352  3505.41  705.935  2129.55  2077.66  3684.98  750.589   62.558   25.637   91.922   10.230 -29.36424 27.60233 
1 1 1  -61   11   20 o   32.381   12.603  368.502  476.587  2147.63  1948.01  255.231  491.525   59.071   24.574   30.699   12.512 28.37239 27.57608 
1 1 1  -61   11   21 o   57.354   15.675  1750.69  750.818  709.122  2247.41  1881.54  796.586   47.223   22.309   59.077   16.146 -11.85427 27.53864 
1 1 1  -61   11   22 o   53.630   14.806  1603.22  665.885   56.905  2429.97  1728.76  692.389   41.321   20.360   55.576   14.997 -14.25410 25.28670 
1 1 1  -61   13    1 o  423.301   35.563 76985.71 12110.00   0.0000   0.0000 76985.71 12110.00  ?   ?   423.301   35.563 0.000000 35.56311 
1 1 1  -61   13    2 o  301.307   29.941 38587.00  7228.15   0.0000   0.0000 38587.00  7228.15  ?   ?   301.307   29.941 0.000000 29.94122 
1 1 1  -61   13    3 o  414.399   36.167 74212.57 12047.50   0.0000   0.0000 74212.57 12047.50  ?   ?   414.399   36.167 0.000000 36.16716 
1 1 1  -61   13    5 o  248.872   23.121 26032.16  4618.70 26032.16  4618.70   0.0000   0.0000  248.872   23.121  ?   ?  0.000000 23.12056 
1 1 1  -61   13    6 o  291.877   24.703 36001.03  5799.48 36001.03  5799.48   0.0000   0.0000  291.877   24.703  ?   ?  0.000000 24.70274 
1 1 1  -61   13    7 o  217.213   12.778 19419.58  2243.76 19139.22  3514.54 19612.46  2915.16  213.361   20.541  217.271   16.651 -3.909851 26.44186 
1 1 1  -61   13    8 o   47.534   10.155  959.280  380.037   0.0000   0.0000  959.280  380.037  ?   ?    47.534   10.155 0.000000 10.15479 
1 1 1  -61   13    9 o  213.912   13.311 18944.65  2300.51 16571.81  3583.34 20608.38  3000.52  196.283   22.915  221.905   16.777 -25.62210 28.40000 
1 1 1  -61   13   10 o  254.406   11.373 26656.17  2349.25 27450.22  4536.12 26365.13  2746.24  252.234   22.381  251.954   13.473 0.2807312 26.12311 
1 1 1  -61   13   11 o   80.266   7.3909  2657.04  476.276  629.942  1463.86  2897.02  503.680   53.370   21.653   83.826   7.4786 -30.45675 22.90818 
1 1 1  -61   13   12 o  205.817   10.186 17497.08  1702.27 15789.36  3450.22 18046.54  1957.05  187.959   23.093  208.186   11.624 -20.22675 25.85337 
1 1 1  -61   13   13 o  131.517   8.3679  7148.37  888.934  6071.46  2068.39  7392.34  984.492  114.797   22.992  133.527   9.1352 -18.73006 24.74020 
1 1 1  -61   13   14 o   61.863   10.550  1636.18  510.951 -412.7279  1664.44  1849.36  536.874   46.818   21.026   65.908   10.375 -19.09052 23.44646 
1 1 1  -61   13   15 f   56.390   11.223  1380.76  495.798  2947.04  1580.79  1209.88  522.145   78.052   23.224   52.431   12.450 25.62103 26.35094 
1 1 1  -61   13   16 o   27.737   11.365  135.728  408.198 -576.5370  1835.90  172.771  418.678   46.891   21.459   28.663   11.597 18.22821 24.39254 
1 1 1  -61   13   17 f   87.111   10.368  3261.44  718.949  2763.77  2256.52  3317.67  758.476   72.132   27.596   87.622   10.896 -15.48950 29.66954 
1 1 1  -61   13   18 o   59.554   12.409  1605.46  580.559  1891.29  1939.31  1577.33  608.464   61.875   24.986   58.707   13.097 3.167542 28.21051 
1 1 1  -61   13   19 o   17.824   8.7101 -724.0302  416.803  1631.11  1893.36 -843.9768  427.285   57.007   24.006   17.368   8.5537 39.63885 25.48395 
1 1 1  -61   13   20 o   75.621   15.656  2890.52  929.672  561.161  2448.59  3282.86  1004.92   49.619   23.393   80.430   15.951 -30.81089 28.31415 
1 1 1  -61   13   21 o   24.729   11.376 -200.6116  525.304 -869.4075  2381.45 -166.4062  538.570   40.998   20.192   25.377   11.617 15.62084 23.29510 
1 1 1  -61   13   22 o   43.496   16.580  1200.92  812.674  2483.50  2810.26  1083.88  848.946   45.658   22.376   41.721   16.641 3.937210 27.88536 
1 1 1  -61   15    5 o  167.831   19.399 11850.23  2594.84  9833.25  3046.70 17177.70  4951.52  150.625   25.842  197.388   31.989 -46.76306 41.12295 
1 1 1  -61   15    6 o  121.021   10.141  6030.55  987.326  4676.53  1940.01  6503.84  1146.98  103.363   23.630  125.494   11.380 -22.13026 26.22763 
1 1 1  -61   15    7 o  134.453   10.762  7454.85  1165.00  5648.89  2112.08  8244.60  1396.69  113.466   23.690  141.114   12.313 -27.64799 26.69859 
1 1 1  -61   15    8 o   84.170   11.127  2959.33  741.800   0.0000   0.0000  2959.33  741.800  ?   ?    84.170   11.127 0.000000 11.12672 
1 1 1  -61   15    9 o   12.420   6.1628 -572.0696  237.105  1348.51  1030.11 -679.5150  243.647   57.484   18.989   11.947   5.9782 45.53621 19.90816 
1 1 1  -61   15   10 o  102.352   7.5769  4309.70  625.213  4780.54  1766.88  4242.31  668.462  103.514   21.715  101.433   8.1860 2.080902 23.20650 
1 1 1  -61   15   11 o   46.633   10.223  931.937  376.427  642.836  1210.60  962.880  396.060   49.848   19.876   47.364   10.567 2.483559 22.50990 
1 1 1  -61   15   12 f  104.762   8.0918  4538.04  682.979  2907.79  1816.39  4806.48  737.067   79.420   25.135  107.736   8.4947 -28.31552 26.53192 
1 1 1  -61   15   13 o  137.313   8.4377  7807.58  936.193 10504.44  2312.93  7279.16  1023.81  153.796   18.921  132.183   9.6047 21.61307 21.21889 
1 1 1  -61   15   14 o   69.248   9.3759  2026.86  513.625  2007.88  1728.13  2028.70  537.934   67.438   24.466   69.140   9.8616 -1.701157 26.37837 
1 1 1  -61   15   15 o  138.995   9.2444  8094.57  1037.37  7113.34  2606.70  8279.22  1130.77  116.640   27.899  140.212   9.9978 -23.57275 29.63633 
1 1 1  -61   15   16 o  108.818   9.2371  5001.50  808.448  3982.16  2340.13  5139.65  861.491   84.215   28.632  110.085   9.7384 -25.87017 30.24280 
1 1 1  -61   15   17 o  101.998   9.9652  4463.43  814.763  4129.06  2679.55  4497.49  855.259   80.961   30.272  102.115   10.463 -21.15416 32.02942 
1 1 1  -61   15   18 o  135.425   10.042  7940.50  1096.31  9385.20  2989.08  7715.94  1178.44  119.437   30.665  132.635   11.043 -13.19842 32.59235 
1 1 1  -61   15   19 f   44.516   14.617  949.958  610.713 -17.8731  2430.31  1015.19  630.959   48.887   23.127   45.778   14.849 3.108250 27.48353 
1 1 1  -61   15   20 o   39.264   14.992  710.347  665.177 -655.9795  2659.35  801.535  687.015   44.598   21.837   40.823   15.316 3.775093 26.67271 
1 1 1  -61   15   21 o   24.536   11.787 -611.1465  683.589 -1411.3621  2837.87 -561.8549  704.328   39.881   20.019   25.261   12.090 14.62004 23.38643 
1 1 1  -61   17    2 f  242.667   31.301 25832.64  6023.71   0.0000   0.0000 25832.64  6023.71  ?   ?   242.667   31.301 0.000000 31.30096 
1 1 1  -61   17    3 o  143.407   33.245  9322.51  3795.69   0.0000   0.0000  9322.51  3795.69  ?   ?   143.407   33.245 0.000000 33.24517 
1 1 1  -61   17    4 o  331.939   34.877 49295.60  9259.59   0.0000   0.0000 49295.60  9259.59  ?   ?   331.939   34.877 0.000000 34.87694 
1 1 1  -61   17    5 o  347.760   18.246 50607.24  5133.99 29425.78  9506.98 59327.27  6099.91  242.281   49.985  375.437   20.083 -133.1557 53.86883 
1 1 1  -61   17    6 o  192.415   13.652 15369.16  2119.04  6162.90  4032.91 18880.21  2490.55  115.478   37.546  213.076   14.481 -97.59866 40.24154 
1 1 1  -61   17    7 o  106.813   10.549  4731.41  902.984  4252.72  1857.55  4879.52  1033.29   97.600   23.681  108.168   11.965 -10.56882 26.53201 
1 1 1  -61   17    8 o   64.314   12.344  1765.78  621.160   0.0000   0.0000  1765.78  621.160  ?   ?    64.314   12.344 0.000000 12.34366 
1 1 1  -61   17    9 o   95.909   11.037  3847.25  843.847  4510.98  1842.37  3671.05  949.273   99.827   23.175   93.163   12.895 6.663849 26.52097 
1 1 1  -61   17   10 o  173.652   13.290 12669.45  1859.60  9938.63  3233.19 14019.41  2273.23  145.261   28.430  181.609   15.566 -36.34818 32.41264 
1 1 1  -61   17   11 o   42.517   11.428  778.096  402.990  4323.15  1468.13  489.224  419.087   98.408   19.062   35.509   12.116 62.89898 22.58705 
1 1 1  -61   17   12 o  170.329   9.6705 12062.83  1331.92  9836.47  3119.87 12559.04  1472.89  142.083   28.039  173.441   10.508 -31.35876 29.94326 
1 1 1  -61   17   13 o   76.186   9.0287  2438.55  547.656  4478.07  1973.75  2268.43  570.039   95.567   25.109   73.214   9.8379 22.35320 26.96773 
1 1 1  -61   17   14 o   61.852   11.016  1654.87  532.962  577.564  1900.57  1746.82  555.240   55.398   23.716   63.534   11.171 -8.136356 26.21477 
1 1 1  -61   17   15 o   65.826   10.642  1873.95  549.372  1337.40  2066.97  1914.73  569.869   61.223   25.378   66.441   10.944 -5.217724 27.63766 
1 1 1  -61   17   16 o   73.167   10.552  2322.60  608.763  7781.70  2558.40  1994.96  626.765  118.613   27.151   67.127   11.937 51.48579 29.65860 
1 1 1  -61   17   17 o   26.267   11.518 -46.7996  470.689 -1622.4320  2488.67   11.654  479.341   46.583   22.407   27.284   11.797 19.29942 25.32253 
1 1 1  -61   17   18 o   69.559   11.657  2196.76  635.070  513.660  2588.32  2304.58  655.095   52.968   24.673   71.228   11.736 -18.26069 27.32192 
1 1 1  -61   17   19 o   60.450   18.408  2048.80  984.734  6077.52  2859.86  1506.89  1048.87   77.816   30.699   51.934   19.027 25.88203 36.11715 
1 1 1  -61   17   20 o   43.184   17.260  1005.90  915.143  6639.09  3065.49  454.741  958.867   68.138   29.647   37.485   16.439 30.65281 33.89977 
1 1 1  -61   19    1 o  294.449   32.013 38771.14  7530.41   0.0000   0.0000 38771.14  7530.41  ?   ?   294.449   32.013 0.000000 32.01290 
1 1 1  -61   19    2 o  335.417   34.831 51158.90  9347.90   0.0000   0.0000 51158.90  9347.90  ?   ?   335.417   34.831 0.000000 34.83130 
1 1 1  -61   19    3 o   45.021   21.138 -1870.0980  1963.17   0.0000   0.0000 -1870.0980  1963.17  ?   ?    45.021   21.138 0.000000 21.13840 
1 1 1  -61   19    4 o  161.398   12.036 10790.73  1565.92   0.0000   0.0000 10790.73  1565.92  ?   ?   161.398   12.036 0.000000 12.03556 
1 1 1  -61   19    5 o  148.646   11.821  9165.80  1414.90  6463.16  3403.34  9730.52  1555.72  116.957   33.882  152.955   12.640 -35.99807 36.16242 
1 1 1  -61   19    6 o   42.247   11.848  757.897  422.879  905.869  1638.18  747.333  437.714   58.293   23.159   42.055   12.142 16.23764 26.14866 
1 1 1  -61   19    7 o  180.319   14.780 13679.64  2144.92  7541.04  3928.31 16287.13  2560.25  123.175   36.601  196.173   16.219 -72.99796 40.03386 
1 1 1  -61   19    8 o   45.193   13.366  866.388  524.815   0.0000   0.0000  866.388  524.815  ?   ?    45.193   13.366 0.000000 13.36642 
1 1 1  -61   19    9 f  222.660   15.445 21050.71  2775.01 19168.61  4699.96 22057.96  3438.30  201.258   29.649  225.494   18.955 -24.23651 35.19038 
1 1 1  -61   19   10 o  123.955   12.332  6483.16  1224.68  9668.21  2713.38  5668.32  1372.42  145.052   23.869  114.746   15.097 30.30633 28.24223 
1 1 1  -61   19   11 o  191.717   13.822 15641.83  2137.27 12206.99  4081.42 16939.60  2508.75  152.890   33.778  198.238   15.715 -45.34831 37.25431 
1 1 1  -61   19   12 o  141.399   9.0298  8323.37  1031.31  5212.90  2842.59  8794.86  1106.72   99.010   31.455  145.198   9.4385 -46.18771 32.84103 
1 1 1  -61   19   13 o  137.911   8.9937  7945.31  1001.59  8956.27  2990.06  7817.54  1063.00  131.121   28.866  136.502   9.6530 -5.381546 30.43766 
1 1 1  -61   19   14 o   81.205   9.1214  2789.75  591.025  2382.66  2434.73  2815.24  609.248   71.092   28.237   81.487   9.3792 -10.39510 29.75364 
1 1 1  -61   19   15 o   17.343   8.4253 -619.0983  374.384  2113.76  1910.01 -728.2914  381.790   65.687   25.324   16.793   8.2334 48.89380 26.62918 
1 1 1  -61   19   16 o   28.963   12.008  148.883  462.878 -1131.4659  2178.94  209.393  473.690   45.867   21.756   30.192   12.292 15.67497 24.98840 
1 1 1  -61   19   17 o   28.621   12.179   94.597  495.778 -2180.1189  2925.32  161.866  503.055   46.837   22.927   29.768   12.444 17.06969 26.08673 
1 1 1  -61   19   18 o   57.621   18.669  1835.60  997.522  1159.80  3051.95  1916.43  1055.49   54.122   25.694   58.396   19.219 -4.273270 32.08667 
1 1 1  -61   19   19 o   96.091   18.647  5260.53  1402.38  925.922  3798.61  5944.55  1508.98   49.730   24.675  101.798   18.954 -52.06767 31.11383 
1 1 1  -61   19   20 o   37.027   16.186  576.234  923.120  1609.07  3283.12  487.571  961.927   45.310   22.557   36.461   16.205 8.849873 27.77489 
1 1 1  -61   21    1 o  102.056   31.162  4799.54  2819.12   0.0000   0.0000  4799.54  2819.12  ?   ?   102.056   31.162 0.000000 31.16157 
1 1 1  -61   21    2 o   61.862   26.024  513.087  2221.60   0.0000   0.0000  513.087  2221.60  ?   ?    61.862   26.024 0.000000 26.02404 
1 1 1  -61   21    3 o  162.236   34.791 12615.00  4445.49   0.0000   0.0000 12615.00  4445.49  ?   ?   162.236   34.791 0.000000 34.79079 
1 1 1  -61   21    4 o  160.323   14.132 10785.58  1820.81   0.0000   0.0000 10785.58  1820.81  ?   ?   160.323   14.132 0.000000 14.13172 
1 1 1  -61   21    5 o   16.462   7.8625 -396.8108  294.672 -1831.4871  2014.17 -365.4319  297.877   45.469   21.369   16.926   8.0333 28.54206 22.82864 
1 1 1  -61   21    6 o   82.481   13.272  2901.67  858.707 -405.2538  2387.68  3392.93  920.282   57.362   25.511   89.392   13.065 -32.03021 28.66218 
1 1 1  -61   21    7 o   20.111   9.4444 -404.9367  392.228 -1348.3650  1904.70 -363.1582  400.819   45.840   21.290   20.850   9.7111 24.99025 23.40039 
1 1 1  -61   21    8 o  194.994   16.142 16281.69  2532.80 10306.82  4676.69 18761.52  3012.91  137.152   39.713  208.114   18.007 -70.96217 43.60490 
1 1 1  -61   21    9 f  133.171   13.695  7551.49  1459.76  8638.31  3239.80  7274.65  1635.15  131.296   30.903  129.675   15.860 1.620392 34.73574 
1 1 1  -61   21   10 o   65.456   16.445  1919.13  872.938  5048.86  2501.77  1485.26  931.482   99.982   29.074   58.006   17.946 41.97583 34.16650 
1 1 1  -61   21   11 o   31.813   13.725 -10.3937  645.884  6441.94  2140.62 -656.6465  677.457  116.150   23.505   26.381   12.396 89.76939 26.57313 
1 1 1  -61   21   12 o   30.424   10.653  350.939  324.801  2262.90  2306.83  312.269  328.069   71.164   27.720   29.521   10.667 41.64322 29.70173 
1 1 1  -61   21   13 o   54.270   10.328  1279.35  438.464  2742.99  2266.56  1222.44  446.906   73.656   27.782   52.887   10.773 20.76902 29.79711 
1 1 1  -61   21   14 o  156.815   9.9637 10453.43  1262.08 14992.42  3857.05  9909.17  1335.60  161.812   30.475  152.000   10.894 9.811340 32.36336 
1 1 1  -61   21   15 o   47.590   12.352  1029.50  481.478 -1589.0760  2834.61  1107.29  488.578   50.004   24.016   49.381   12.245 0.6223793 26.95783 
1 1 1  -61   21   16 o   90.946   17.627  4111.32  1254.67  3421.34  3108.74  4245.58  1371.32   69.206   29.983   90.917   19.179 -21.71160 35.59286 
1 1 1  -61   21   17 o   45.828   17.839  983.866  954.816 -1819.7810  3022.57  1294.66  1006.35   46.172   22.742   50.044   18.583 -3.871990 29.36873 
1 1 1  -61   21   18 o   42.647   17.075  880.480  897.295  5732.82  3697.18  576.779  924.950   63.823   29.649   39.326   16.681 24.49666 34.01932 
1 1 1  -61   21   19 o   29.634   13.676 -116.2241  767.709 -1617.9460  3316.70 -31.2109  789.140   41.055   20.739   30.645   14.041 10.41050 25.04457 
1 1 1  -61   23    1 f   89.027   33.256  3316.93  3232.26   0.0000   0.0000  3316.93  3232.26  ?   ?    89.027   33.256 0.000000 33.25607 
1 1 1  -61   23    2 o  263.118   37.167 34088.77  7719.36   0.0000   0.0000 34088.77  7719.36  ?   ?   263.118   37.167 0.000000 37.16672 
1 1 1  -61   23    3 o   59.998   27.041 -750.2567  2781.28   0.0000   0.0000 -750.2567  2781.28  ?   ?    59.998   27.041 0.000000 27.04095 
1 1 1  -61   23    4 o  206.005   16.388 18079.67  2718.55   0.0000   0.0000 18079.67  2718.55  ?   ?   206.005   16.388 0.000000 16.38802 
1 1 1  -61   23    5 o  148.671   14.837  9397.75  1767.16   0.0000   0.0000  9397.75  1767.16  ?   ?   148.671   14.837 0.000000 14.83721 
1 1 1  -61   23    6 o  136.232   13.921  7880.62  1518.22  8505.08  4263.30  7789.93  1624.73  125.488   38.322  134.931   15.088 -9.443130 41.18513 
1 1 1  -61   23    7 o   82.198   16.060  2973.74  1033.42   0.0000   0.0000  2973.74  1033.42  ?   ?    82.198   16.060 0.000000 16.05968 
1 1 1  -61   23    8 o  143.732   14.821  8883.20  1704.83  6002.04  4236.74  9439.85  1862.25  104.246   38.233  147.674   15.775 -43.42816 41.35931 
1 1 1  -61   23    9 o  163.329   15.829 11603.26  2072.83  8558.60  4299.54 12525.20  2365.94  120.087   38.742  168.490   17.551 -48.40321 42.53265 
1 1 1  -61   23   10 o   84.918   33.199  3657.70  3318.12  3657.70  3318.12   0.0000   0.0000   84.918   33.199  ?   ?  0.000000 33.19875 
1 1 1  -61   23   11 o   57.019   17.555  1476.99  892.561  2345.65  2941.44  1388.90  936.729   73.648   30.380   55.665   18.095 17.98256 35.36040 
1 1 1  -61   23   12 o   93.380   16.925  4009.04  1236.02  4209.50  3460.99  3979.73  1323.29   84.179   33.593   92.131   18.334 -7.952126 38.27033 
1 1 1  -61   23   13 o   76.988   9.1528  2527.41  560.944  2139.21  3052.32  2540.98  570.664   68.836   29.767   77.139   9.2984 -8.303413 31.18521 
1 1 1  -61   23   14 o   77.889   9.7962  2623.93  605.840  6093.63  3266.19  2500.29  616.539   90.454   33.501   75.774   10.287 14.67913 35.04450 
1 1 1  -61   23   15 o   42.831   17.510  630.742  966.332 -119.2326  3174.89  707.313  1014.46   54.429   25.944   44.166   17.985 10.26338 31.56827 
1 1 1  -61   23   16 o   55.191   19.771  1687.07  1124.23 -366.9555  3585.09  1911.08  1183.95   52.061   25.462   57.927   20.336 -5.865761 32.58651 
1 1 1  -61   23   17 o   30.620   14.504 -568.0693  961.961  3148.69  3834.19 -817.7407  993.746   56.225   27.232   29.692   14.250 26.53287 30.73506 
1 1 1  -61   23   18 o   51.822   20.238  1917.91  1232.10  533.475  4439.07  2033.47  1282.50   46.200   23.412   52.681   20.627 -6.480705 31.20253 
1 1 1  -61   25    1 o   46.733   21.890 -1679.0560  2084.27   0.0000   0.0000 -1679.0560  2084.27  ?   ?    46.733   21.890 0.000000 21.89046 
1 1 1  -61   25    2 f  109.759   37.945  6294.77  4114.62   0.0000   0.0000  6294.77  4114.62  ?   ?   109.759   37.945 0.000000 37.94547 
1 1 1  -61   25    3 o   73.502   14.377  2349.97  827.303   0.0000   0.0000  2349.97  827.303  ?   ?    73.502   14.377 0.000000 14.37706 
1 1 1  -61   25    4 o  ?   ?  -1124.3199  219.758   0.0000   0.0000 -1124.3199  219.758  ?   ?   ?   ?  0.000000      ? 
1 1 1  -61   25    5 o   37.639   14.614  406.797  639.626   0.0000   0.0000  406.797  639.626  ?   ?    37.639   14.614 0.000000 14.61449 
1 1 1  -61   25    6 o   41.191   15.622  555.037  719.152 -4899.6602  3609.67  780.495  733.864   52.815   25.770   45.010   15.990 7.805408 30.32767 
1 1 1  -61   25    7 o  102.769   15.757  4639.71  1272.87  5844.60  4298.60  4523.91  1332.64  101.274   38.245  100.925   16.857 0.3493729 41.79464 
1 1 1  -61   25    8 o  150.579   15.807  9930.79  1903.82 10541.96  5093.94  9831.56  2052.57  126.341   42.247  148.761   17.317 -22.42016 45.65826 
1 1 1  -61   25    9 o   56.792   17.969  1451.71  928.378  5748.76  3911.21  1195.15  955.691   97.281   36.535   52.886   18.287 44.39499 40.85590 
1 1 1  -61   25   10 o   96.478   18.508  4333.11  1397.14 -673.8427  3760.68  5134.83  1504.84   63.177   29.533  105.400   18.244 -42.22353 34.71368 
1 1 1  -61   25   11 o   89.901   18.115  3809.19  1276.65  1539.40  3426.12  4175.16  1375.72   68.465   30.497   93.804   18.718 -25.33923 35.78349 
1 1 1  -61   25   12 o   80.347   9.2469  2758.68  592.261 -2854.2271  4190.63  2873.08  598.266   56.531   27.623   82.063   9.1336 -25.53137 29.09415 
1 1 1  -61   25   13 o   35.190   15.605 -50.5042  887.022 -4725.4541  3962.30  196.145  910.121   49.693   24.746   37.953   16.333 11.74021 29.65029 
1 1 1  -61   25   14 o   45.356   18.467  791.370  1069.34  337.475  4388.30  820.024  1102.58   58.989   28.701   45.932   18.733 13.05698 34.27329 
1 1 1  -61   25   15 f   48.463   19.362  1156.60  1151.05 -2119.1550  4703.18  1365.31  1187.15   51.621   25.892   50.892   19.868 0.7292519 32.63700 
1 1 1  -61   25   16 o   38.407   17.295  257.645  1134.99  3070.70  5213.74  117.702  1162.88   54.854   27.478   37.659   17.175 17.19446 32.40363 
1 1 1  -61   27    1 o  258.926   17.844 29247.47  3728.56   0.0000   0.0000 29247.47  3728.56  ?   ?   258.926   17.844 0.000000 17.84378 
1 1 1  -61   27    2 o  146.682   15.952  9330.74  1869.30   0.0000   0.0000  9330.74  1869.30  ?   ?   146.682   15.952 0.000000 15.95236 
1 1 1  -61   27    3 o  213.422   18.324 20081.91  3144.68   0.0000   0.0000 20081.91  3144.68  ?   ?   213.422   18.324 0.000000 18.32450 
1 1 1  -61   27    4 o  190.039   17.563 15900.68  2679.33   0.0000   0.0000 15900.68  2679.33  ?   ?   190.039   17.563 0.000000 17.56253 
1 1 1  -61   27    5 o   31.199   13.613 -72.3058  650.241   0.0000   0.0000 -72.3058  650.241  ?   ?    31.199   13.613 0.000000 13.61305 
1 1 1  -61   27    6 o   84.723   18.325  3295.89  1223.98   0.0000   0.0000  3295.89  1223.98  ?   ?    84.723   18.325 0.000000 18.32547 
1 1 1  -61   27    7 o   53.536   17.270  1270.15  854.389  858.269  5077.24  1282.15  866.749   76.097   35.137   53.780   17.400 22.31672 39.20928 
1 1 1  -61   27    8 o   70.348   18.668  2335.36  1083.96  990.319  4711.50  2410.54  1113.83   73.495   33.905   71.367   18.916 2.128036 38.82479 
1 1 1  -61   27    9 o   89.267   37.617  5548.54  4654.36  4858.85  5309.77  7836.33  9670.71   85.812   38.110   91.300   43.980 -5.487770 58.19431 
1 1 1  -61   27   10 o   87.829   20.420  3827.81  1428.65  1796.10  5271.49  3988.86  1484.19   72.906   34.358   89.377   20.836 -16.47044 40.18212 
1 1 1  -61   27   11 o   48.370   19.392  871.778  1159.06  8774.64  4906.66  404.731  1192.82   95.006   39.218   44.052   18.821 50.95415 43.50092 
1 1 1  -61   27   12 o   74.333   22.486  3086.24  1472.86 -2865.6499  4475.00  3809.31  1559.76   54.530   27.008   82.848   22.573 -28.31797 35.19852 
1 1 1  -61   27   13 o   57.456   20.927  1821.72  1266.23  5517.67  4992.41  1567.62  1309.04   69.979   33.118   54.439   20.972 15.53930 39.19924 
1 1 1  -61   27   14 o   44.063   18.897  733.361  1210.57  3145.49  5764.40  622.070  1238.18   58.932   29.426   43.294   18.840 15.63773 34.94058 
1 1 1  -61   27   15 o   40.920   18.127  565.419  1193.88 -9763.0400  6027.65  987.153  1218.01   43.744   22.511   44.623   19.041 -0.8790016 29.48380 
1 1 1  -61   29    1 o   61.022   18.091  1693.14  960.507   0.0000   0.0000  1693.14  960.507  ?   ?    61.022   18.091 0.000000 18.09078 
1 1 1  -61   29    2 o  263.020   21.401 31997.38  4530.75   0.0000   0.0000 31997.38  4530.75  ?   ?   263.020   21.401 0.000000 21.40061 
1 1 1  -61   29    3 o  145.132   17.408  9439.88  2010.45   0.0000   0.0000  9439.88  2010.45  ?   ?   145.132   17.408 0.000000 17.40781 
1 1 1  -61   29    4 o  ?   ?  -2119.0061  257.272   0.0000   0.0000 -2119.0061  257.272  ?   ?   ?   ?  0.000000      ? 
1 1 1  -61   29    5 o   64.895   19.680  1988.36  1127.21   0.0000   0.0000  1988.36  1127.21  ?   ?    64.895   19.680 0.000000 19.67994 
1 1 1  -61   29    6 o  168.620   20.042 13388.87  2690.30   0.0000   0.0000 13388.87  2690.30  ?   ?   168.620   20.042 0.000000 20.04206 
1 1 1  -61   29    7 o   93.886   20.084  4280.07  1484.70  5224.68  7309.67  4239.43  1516.31   85.445   40.325   93.014   20.618 -7.568794 45.29063 
1 1 1  -61   29    8 o   54.025   26.932 -6039.5171  4745.68 -5606.6250  5732.30 -6982.5962  8460.85   59.481   29.643   66.605   33.580 -7.123741 44.79221 
1 1 1  -61   29    9 o   74.749   21.506  2929.70  1375.47  2147.50  6609.08  2965.11  1406.26   72.127   35.122   74.977   21.796 -2.849693 41.33561 
1 1 1  -61   29   10 o   23.813   11.854 -2017.7240  906.080  268.941  6394.32 -2064.5791  915.316   65.287   32.326   23.826   11.869 41.46111 34.43631 
1 1 1  -61   29   11 o   34.621   16.176 -564.0617  1125.91  1021.65  7054.23 -605.5126  1140.53   63.183   31.694   34.594   16.201 28.58926 35.59495 
1 1 1  -61   29   12 o   35.044   16.198 -301.6160  1083.01  2338.05  6862.98 -369.0288  1096.76   60.173   30.326   34.789   16.157 25.38383 34.36119 
1 1 1  -61   29   13 o   37.419   17.171  -7.5654  1186.41  4713.48  6042.87 -196.8408  1209.96   58.142   29.189   36.458   16.945 21.68416 33.75087 
1 1 1  -61   31    1 o   93.019   19.897  4153.68  1457.33   0.0000   0.0000  4153.68  1457.33  ?   ?    93.019   19.897 0.000000 19.89713 
1 1 1  -61   31    2 o  117.721   19.767  6594.58  1822.46   0.0000   0.0000  6594.58  1822.46  ?   ?   117.721   19.767 0.000000 19.76683 
1 1 1  -61   31    3 o   92.888   20.176  4199.05  1478.19   0.0000   0.0000  4199.05  1478.19  ?   ?    92.888   20.176 0.000000 20.17620 
1 1 1  -61   31    4 o  111.203   20.239  6017.51  1760.14   0.0000   0.0000  6017.51  1760.14  ?   ?   111.203   20.239 0.000000 20.23921 
1 1 1  -61   31    5 o   56.074   19.607  1477.74  1100.12   0.0000   0.0000  1477.74  1100.12  ?   ?    56.074   19.607 0.000000 19.60737 
1 1 1  -61   31    6 o   66.267   21.685  2280.28  1344.51   0.0000   0.0000  2280.28  1344.51  ?   ?    66.267   21.685 0.000000 21.68514 
1 1 1  -61   31    7 o   70.724   35.713  842.278  9787.61   0.0000   0.0000  842.278  9787.61  ?   ?    70.724   35.713 0.000000 35.71342 
1 1 1  -61   31    8 o   66.718   22.963  2525.54  1506.00 -5052.2261  9700.22  2712.71  1524.48   63.226   32.280   68.882   23.111 -5.655537 39.70031 
1 1 1  -61   31    9 o   87.681   23.668  4553.97  1724.24 16011.88  9963.60  4200.24  1750.65   76.001   38.058   82.879   24.384 -6.878265 45.19981 
1 1 1  -61   31   10 o   39.334   17.995 -54.1392  1289.37  1283.73  8858.72 -83.0944  1303.24   59.935   30.620   39.303   18.021 20.63133 35.52911 
1 1 1  -61   31   11 o   50.497   21.323  1414.76  1500.62 -17256.7207  9736.41  1869.08  1518.76   48.998   25.368   54.520   22.078 -5.521843 33.62953 
1 1 1  -61   33    1 o   95.844   22.959  4923.47  1763.25   0.0000   0.0000  4923.47  1763.25  ?   ?    95.844   22.959 0.000000 22.95933 
1 1 1  -61   33    2 o   21.829   10.886 -1850.8590  778.663   0.0000   0.0000 -1850.8590  778.663  ?   ?    21.829   10.886 0.000000 10.88622 
1 1 1  -61   33    3 o   83.305   22.973  3831.10  1604.23   0.0000   0.0000  3831.10  1604.23  ?   ?    83.305   22.973 0.000000 22.97316 
1 1 1  -61   33    4 o  137.707   23.039 10267.72  2485.04   0.0000   0.0000 10267.72  2485.04  ?   ?   137.707   23.039 0.000000 23.03877 
1 1 1  -61   33    5 o  133.471   23.100  9829.96  2412.86   0.0000   0.0000  9829.96  2412.86  ?   ?   133.471   23.100 0.000000 23.10047 
1 1 1  -61   33    6 o   72.640   36.984 16218.23 12042.88   0.0000   0.0000 16218.23 12042.88  ?   ?    72.640   36.984 0.000000 36.98401 
1 1 1  -61   33    7 o   97.941   24.230  5861.70  1916.34   0.0000   0.0000  5861.70  1916.34  ?   ?    97.941   24.230 0.000000 24.23036 
1 1 1  -61   33    8 o   84.936   25.397  4923.58  1887.03   0.0000   0.0000  4923.58  1887.03  ?   ?    84.936   25.397 0.000000 25.39733 
1 1 1  -60    0    1 o   83.766   24.994  3533.42  1480.11  3533.42  1480.11   0.0000   0.0000   83.766   24.994   83.766   24.994 0.000000 0.000000 
1 1 1  -60    0    2 o  122.715   23.651  6792.00  2104.07  6792.00  2104.07   0.0000   0.0000  122.715   23.651  122.715   23.651 0.000000 0.000000 
1 1 1  -60    0    3 o  672.444   50.775 193433.41 27360.03 193433.41 27360.03   0.0000   0.0000  672.444   50.775  672.444   50.775 0.000000 0.000000 
1 1 1  -60    0    5 o  228.620   17.554 21689.78  3214.43 21689.78  3214.43   0.0000   0.0000  228.620   17.554  228.620   17.554 0.000000 0.000000 
1 1 1  -60    0    6 o  109.052   11.932  5009.47  1024.36  5009.47  1024.36   0.0000   0.0000  109.052   11.932  109.052   11.932 0.000000 0.000000 
1 1 1  -60    0    7 o  413.448   29.924 71497.13  9924.64 71497.13  9924.64   0.0000   0.0000  413.448   29.924  413.448   29.924 0.000000 0.000000 
1 1 1  -60    0    8 o  640.605   46.251 175382.09 23769.44 175382.09 23769.44   0.0000   0.0000  640.605   46.251  640.605   46.251 0.000000 0.000000 
1 1 1  -60    0    9 o   22.991   14.379  120.726  551.909  120.726  551.909   0.0000   0.0000   22.991   14.379   22.991   14.379 0.000000 0.000000 
1 1 1  -60    0   10 o  573.042   41.607 140116.41 19124.63 140116.41 19124.63   0.0000   0.0000  573.042   41.607  573.042   41.607 0.000000 0.000000 
1 1 1  -60    0   11 o  535.341   39.106 122320.00 16790.04 122320.00 16790.04   0.0000   0.0000  535.341   39.106  535.341   39.106 0.000000 0.000000 
1 1 1  -60    0   12 o   21.288   14.470 -418.8479  758.918 -418.8479  758.918   0.0000   0.0000   21.288   14.470   21.288   14.470 0.000000 0.000000 
1 1 1  -60    0   13 o  111.483   17.099  5435.08  1439.56  5435.08  1439.56   0.0000   0.0000  111.483   17.099  111.483   17.099 0.000000 0.000000 
1 1 1  -60    0   14 o   18.264   12.995 -1161.3101  835.597 -1161.3101  835.597   0.0000   0.0000   18.264   12.995   18.264   12.995 0.000000 0.000000 
1 1 1  -60    0   15 o  369.892   28.812 59145.25  8532.54 59145.25  8532.54   0.0000   0.0000  369.892   28.812  369.892   28.812 0.000000 0.000000 
1 1 1  -60    0   16 o   22.244   15.432 -808.0022  971.097 -808.0022  971.097   0.0000   0.0000   22.244   15.432   22.244   15.432 0.000000 0.000000 
1 1 1  -60    0   17 o  116.199   20.017  6096.85  1720.44  6096.85  1720.44   0.0000   0.0000  116.199   20.017  116.199   20.017 0.000000 0.000000 
1 1 1  -60    0   18 o   36.717   12.712  720.572  341.750 -604.0044  1162.08  845.974  357.561   26.165   17.819   40.803   12.367 0.000000 0.000000 
1 1 1  -60    0   19 f  100.144   9.5252  4222.58  758.431  3207.90  1626.93  4504.32  857.281   73.751   28.573  103.139   10.485 0.000000 0.000000 
1 1 1  -60    0   20 o  103.582   9.6516  4524.11  795.555  4160.64  1577.34  4648.11  921.323   89.698   25.032  104.371   11.197 0.000000 0.000000 
1 1 1  -60    0   21 o  156.421   13.858 10494.58  1728.33 -326.7801  2898.16 16467.15  2153.09   43.151   29.022  196.848   13.621 0.000000 0.000000 
1 1 1  -60    0   22 o   11.910   8.4222 -403.4104  332.754  1239.33  1670.82 -471.2574  339.557   44.318   26.407   11.589   8.2524 0.000000 0.000000 
1 1 1  -60    0   23 o   29.362   14.693  549.004  428.107   0.0000   0.0000  549.004  428.107   29.362   14.693   29.362   14.693 0.000000 0.000000 
1 1 1  -60    2    1 o  465.161   24.867 89541.10  9358.06 89363.55 13224.47 89719.18 13244.15  460.141   35.674  461.071   35.654 -0.9292908 50.43671 
1 1 1  -60    2    2 o  327.248   15.487 43765.42  4115.10 44340.06  4900.99 42392.09  7576.60  328.433   18.453  318.009   29.686 10.42432 34.95351 
1 1 1  -60    2    3 o  503.629   22.231 104440.70  9090.89 105726.40 10983.00 101643.30 16200.84  504.403   26.914  487.010   41.361 17.39352 49.34652 
1 1 1  -60    2    4 o  280.478   20.699 32522.68  4680.64 32522.68  4680.64   0.0000   0.0000  280.478   20.699  ?   ?  0.000000 20.69892 
1 1 1  -60    2    5 o  407.584   19.950 68316.35  6602.50 71837.48  9394.34 64879.39  9281.38  414.494   28.079  393.324   29.271 21.17001 40.56155 
1 1 1  -60    2    6 o  419.280   30.044 73970.27 10160.25   0.0000   0.0000 73970.27 10160.25  ?   ?   419.280   30.044 0.000000 30.04351 
1 1 1  -60    2    7 o  169.873   10.121 11802.84  1389.66 12269.48  2021.49 11384.71  1913.52  172.542   14.565  166.204   14.319 6.338486 20.42491 
1 1 1  -60    2    8 o  382.129   19.284 60364.49  5964.12 62065.83  8482.90 58701.41  8386.99  384.046   27.383  373.202   27.879 10.84402 39.07728 
1 1 1  -60    2    9 o  308.149   16.082 39126.25  4009.90 39985.43  5715.04 38293.12  5627.68  309.208   22.926  302.498   23.087 6.710266 32.53630 
1 1 1  -60    2   10 o  186.644   11.325 14292.33  1708.11 15557.62  2466.77 13126.78  2367.55  193.830   15.811  177.754   16.596 16.07610 22.92192 
1 1 1  -60    2   11 o  438.774   22.586 80913.07  8019.38 77665.27 11388.80 84107.04 11294.03  421.345   33.568  440.143   31.816 -18.79837 46.25008 
1 1 1  -60    2   12 o  279.949   15.310 32505.54  3466.95 33061.51  4952.25 31971.14  4855.21  279.232   22.021  274.595   21.960 4.636383 31.09911 
1 1 1  -60    2   13 o  227.951   13.322 21561.82  2455.07 21508.98  3516.44 21612.07  3429.19  224.968   19.442  225.796   18.877 -0.8272858 27.09848 
1 1 1  -60    2   14 o  108.819   11.173  4941.35  973.242  5394.02  1486.43  4601.68  1287.62  111.924   16.881  103.581   15.811 8.343361 23.12903 
1 1 1  -60    2   15 o  221.107   13.558 20592.96  2422.31 21174.53  3484.47 20049.06  3369.75  219.885   19.726  214.016   19.610 5.868759 27.81477 
1 1 1  -60    2   16 f  241.813   11.765 24501.33  2310.05 22627.59  4205.69 25310.85  2764.38  221.238   23.786  243.843   14.021 -22.60420 27.61061 
1 1 1  -60    2   17 o   65.401   8.6134  1801.94  446.270  474.693  1066.73  2083.52  491.333   44.972   18.393   70.350   8.7935 -25.37870 20.38671 
1 1 1  -60    2   18 o  126.009   8.9823  6662.49  913.010  5242.01  1938.60  7067.37  1034.98  102.238   23.799  129.340   9.9309 -27.10238 25.78743 
1 1 1  -60    2   19 o  201.826   10.704 17427.06  1747.84 17227.94  3363.61 17500.71  2045.71  184.985   22.882  200.254   12.646 -15.26866 26.14404 
1 1 1  -60    2   20 o   98.117   8.9162  4114.59  702.581  3622.33  1851.97  4197.35  759.346   78.488   25.438   98.723   9.5941 -20.23427 27.18692 
1 1 1  -60    2   21 o   37.873   11.925  650.878  409.242  3142.62  1654.93  488.582  422.359   70.903   24.078   34.172   12.131 36.73024 26.96159 
1 1 1  -60    2   22 o   20.438   8.7252   30.481  255.977  263.888  337.500 -285.6274  392.767   27.479   10.631   20.531   9.5797 6.947407 14.31031 
1 1 1  -60    2   23 o   74.137   7.3937  2421.08  439.139  2444.66  602.116  2394.28  641.860   71.646   10.676   69.877   11.728 1.769379 15.85982 
1 1 1  -60    4    1 o  337.177   15.728 46469.92  4306.06 45570.82  5135.48 48598.79  7902.28  332.839   19.082  340.978   28.812 -8.139435 34.55796 
1 1 1  -60    4    2 o  710.819   33.774 211770.50 19493.13 222547.70 23732.73 189424.20 34173.97  722.679   40.610  641.763   66.549 80.91656 77.96101 
1 1 1  -60    4    3 o  550.808   19.998 124629.40  8943.95 117512.10 10815.70 140023.20 15906.32  533.102   24.987  576.515   34.132 -43.41345 42.30021 
1 1 1  -60    4    4 o  300.355   22.356 37391.99  5413.13 37391.99  5413.13   0.0000   0.0000  300.355   22.356  ?   ?  0.000000 22.35612 
1 1 1  -60    4    5 o  425.661   30.904 76261.13 10608.35 76261.13 10608.35   0.0000   0.0000  425.661   30.904  ?   ?  0.000000 30.90419 
1 1 1  -60    4    6 o  404.333   20.088 67338.29  6595.04 67901.88  9430.88 66798.90  9226.08  401.920   29.095  398.817   28.682 3.103333 40.85601 
1 1 1  -60    4    7 o  229.587   17.331 21771.24  3207.06   0.0000   0.0000 21771.24  3207.06  ?   ?   229.587   17.331 0.000000 17.33141 
1 1 1  -60    4    8 o   89.602   8.7590  3301.25  629.099  4701.74  1079.03  2580.06  774.319  106.498   12.731   78.488   12.575 28.01019 17.89380 
1 1 1  -60    4    9 o  318.422   16.256 41798.46  4188.85 45396.54  6033.35 38450.04  5820.27  329.558   22.685  302.704   23.874 26.85391 32.93304 
1 1 1  -60    4   10 o  238.573   13.354 23408.95  2576.50 23077.04  3742.73 23707.91  3552.17  235.073   19.793  238.709   18.471 -3.636230 27.07245 
1 1 1  -60    4   11 o  217.537   12.639 19480.82  2222.93 19269.63  3245.58 19667.44  3050.84  214.570   18.819  217.242   17.443 -2.671677 25.65927 
1 1 1  -60    4   12 o  194.620   11.966 15619.21  1881.76 15209.13  2766.00 15972.55  2567.50  190.146   18.135  195.535   16.321 -5.389450 24.39770 
1 1 1  -60    4   13 o  134.074   8.0200  7376.26  869.082  7011.04  1756.34  7494.68  1000.10  128.238   17.310  134.929   9.1832 -6.691223 19.59503 
1 1 1  -60    4   14 o  223.500   10.792 20632.29  1958.51 17160.58  3588.59 22105.00  2337.28  197.054   22.853  230.333   12.545 -33.27921 26.06938 
1 1 1  -60    4   15 f  139.178   8.6046  8005.10  967.620  5619.13  1977.58  8756.13  1109.51  110.668   22.767  145.325   9.4541 -34.65643 24.65208 
1 1 1  -60    4   16 o  123.443   8.5248  6321.96  849.218  6327.83  1830.89  6320.35  958.567  118.292   19.759  123.051   9.6719 -4.758743 21.99916 
1 1 1  -60    4   17 o   79.254   8.3650  2629.72  530.165  2487.49  1258.60  2660.40  584.556   72.647   20.464   79.462   9.2321 -6.814980 22.44977 
1 1 1  -60    4   18 o   73.987   8.7185  2312.82  513.706  2111.36  1498.07  2339.67  546.864   66.298   22.897   74.233   9.2753 -7.935120 24.70476 
1 1 1  -60    4   19 o   70.490   9.5270  2134.09  531.314  2816.07  1599.17  2049.47  563.314   73.017   23.635   68.696   10.427 4.321831 25.83289 
1 1 1  -60    4   20 o   72.772   9.8259  2305.03  565.754  1236.80  1717.72  2435.01  599.187   54.810   22.961   74.665   10.146 -19.85453 25.10314 
1 1 1  -60    4   21 o   54.970   10.887  1374.68  468.760  1916.76  1765.07  1333.55  486.220   57.706   23.637   53.819   11.477 3.887333 26.27576 
1 1 1  -60    4   22 o   26.507   10.694  201.901  354.887   93.554  1801.73  206.274  361.978   42.757   20.130   26.745   10.797 16.01127 22.84284 
1 1 1  -60    4   23 o   29.707   11.448  367.074  390.194  691.446  1624.05  347.203  401.968   41.276   19.331   29.455   11.544 11.82070 22.51531 
1 1 1  -60    6    1 o  164.342   11.142 11054.19  1477.98  9462.14  1791.16 14450.88  2616.28  151.488   14.749  187.060   17.426 -35.57263 22.82957 
1 1 1  -60    6    2 o  259.345   14.070 27546.30  2951.81 27581.92  3480.84 27455.13  5569.72  259.067   16.636  255.904   27.223 3.163193 31.90363 
1 1 1  -60    6    3 o  384.950   16.697 60680.87  5219.09 59167.44  6260.84 64127.93  9448.77  378.786   20.432  390.976   29.992 -12.19046 36.29051 
1 1 1  -60    6    4 o   94.332   12.675  3695.77  946.261  3695.77  946.261   0.0000   0.0000   94.332   12.675  ?   ?  0.000000 12.67491 
1 1 1  -60    6    5 o  128.892   13.668  6863.36  1408.57  6863.36  1408.57   0.0000   0.0000  128.892   13.668  ?   ?  0.000000 13.66758 
1 1 1  -60    6    6 o  280.525   21.661 32695.89  4895.67 32695.89  4895.67   0.0000   0.0000  280.525   21.661  ?   ?  0.000000 21.66105 
1 1 1  -60    6    7 f  297.034   15.322 36259.29  3682.83 37086.36  5351.40 35515.13  5076.12  298.437   22.244  292.238   21.544 6.198151 30.96664 
1 1 1  -60    6    8 o  124.541   8.9495  6352.25  898.964  6155.84  1431.00  6480.29  1155.41  121.664   14.790  125.451   11.470 -3.786545 18.71622 
1 1 1  -60    6    9 o  210.968   11.687 18250.31  1994.17 20318.85  2953.75 16517.76  2703.23  221.578   16.537  199.584   16.838 21.99394 23.60051 
1 1 1  -60    6   10 o  156.629   10.348 10066.19  1308.61 11294.77  2028.30  9190.13  1712.75  164.969   15.317  148.883   14.346 16.08612 20.98600 
1 1 1  -60    6   11 o  360.190   18.816 54149.99  5483.76 53613.56  7879.98 54653.74  7636.18  352.844   27.728  357.128   26.523 -4.284454 38.37075 
1 1 1  -60    6   12 o   75.713   7.4991  2361.92  454.954  2221.22  1159.94  2387.50  494.586   71.538   19.455   76.029   8.1381 -4.490891 21.08858 
1 1 1  -60    6   13 o  241.399   10.992 24008.54  2154.51 23415.73  3961.20 24257.59  2567.49  233.044   21.165  241.559   13.140 -8.515152 24.91173 
1 1 1  -60    6   14 o  182.230   9.5120 13712.96  1402.56 13505.03  2698.99 13789.89  1641.63  176.422   19.149  182.170   11.152 -5.748810 22.15947 
1 1 1  -60    6   15 f  128.942   8.1882  6867.99  852.834  4854.33  1833.64  7423.82  963.376  102.508   22.635  133.870   8.9139 -31.36150 24.32699 
1 1 1  -60    6   16 f  193.165   9.9222 15559.33  1550.98 15533.56  2980.40 15568.90  1816.30  185.697   20.087  192.247   11.691 -6.549637 23.24120 
1 1 1  -60    6   17 o   71.038   9.3907  2137.74  528.386  3546.82  1407.88  1906.73  570.057   86.619   20.361   66.539   10.931 20.08051 23.10979 
1 1 1  -60    6   18 o   30.581   11.641  298.367  400.300  1983.43  1358.24  138.082  418.906   64.323   21.814   28.001   11.497 36.32226 24.65808 
1 1 1  -60    6   19 o   42.711   11.205  813.437  393.424  800.832  1253.98  814.814  414.344   48.902   19.964   42.700   11.634 6.202278 23.10690 
1 1 1  -60    6   20 o  122.160   9.6923  6441.52  953.491  5994.02  2208.44  6544.05  1057.09   99.380   26.769  122.309   10.754 -22.92920 28.84804 
1 1 1  -60    6   21 o   48.380   11.160  1080.93  429.485 -2224.6570  1763.73  1289.29  442.815   35.351   17.404   53.224   10.619 -17.87387 20.38745 
1 1 1  -60    6   22 o   59.568   12.058  1709.54  563.192  112.701  1986.52  1849.10  587.288   43.321   20.614   61.976   12.105 -18.65535 23.90512 
1 1 1  -60    6   23 o   24.882   10.426  152.860  354.277 -2722.0000  1655.14  290.899  362.683   29.574   14.903   27.656   10.925 1.918880 18.47883 
1 1 1  -60    8    4 o  552.647   27.072 127154.60 12147.99 116875.70 16517.34 139265.80 17929.07  521.487   39.297  569.700   38.994 -48.21289 55.36039 
1 1 1  -60    8    5 o  656.917   49.232 191719.41 26068.89 191719.41 26068.89   0.0000   0.0000  656.917   49.232  ?   ?  0.000000 49.23156 
1 1 1  -60    8    6 o  128.973   13.958  6883.50  1438.41  6883.50  1438.41   0.0000   0.0000  128.973   13.958  ?   ?  0.000000 13.95828 
1 1 1  -60    8    7 o  104.386   13.577  4532.59  1123.56  4532.59  1123.56   0.0000   0.0000  104.386   13.577  ?   ?  0.000000 13.57748 
1 1 1  -60    8    8 o  221.952   16.814 20385.52  3007.67   0.0000   0.0000 20385.52  3007.67  ?   ?   221.952   16.814 0.000000 16.81390 
1 1 1  -60    8    9 o  153.178   7.4571  9555.07  927.474 13274.65  1859.20  8322.75  1070.14  179.561   12.837  142.539   9.2972 37.02185 15.84978 
1 1 1  -60    8   10 o   49.439   7.7938  1020.29  302.506  2526.13  1016.78  874.063  316.853   76.737   16.786   45.508   8.8938 31.22870 18.99644 
1 1 1  -60    8   11 f  113.640   9.7434  5320.97  890.346  5485.08  1545.44  5239.43  1089.28  113.677   17.288  112.305   12.138 1.371132 21.12404 
1 1 1  -60    8   12 o  159.928   8.3922 10488.82  1085.98 10976.50  2218.87 10335.20  1245.32  161.106   17.229  158.478   9.7248 2.628235 19.78429 
1 1 1  -60    8   13 o  170.484   9.0138 11963.82  1243.32 10521.42  2474.82 12450.78  1437.96  155.681   20.044  173.585   10.248 -17.90369 22.51136 
1 1 1  -60    8   14 o  256.038   11.750 27260.66  2442.72 26509.77  4483.31 27577.67  2913.08  243.740   22.923  255.863   14.076 -12.12225 26.89951 
1 1 1  -60    8   15 o   53.152   11.294  1220.77  472.406 -1367.0150  1199.93  1695.43  513.908   33.668   16.021   63.116   10.389 -29.44818 19.09458 
1 1 1  -60    8   16 o  109.537   10.302  5049.23  905.472  5526.57  1733.15  4870.03  1061.92  109.597   20.221  106.688   12.495 2.908768 23.77000 
1 1 1  -60    8   17 o  160.235   11.733 10944.55  1515.93  9565.97  2542.96 11704.53  1888.09  140.787   23.043  163.853   14.336 -23.06671 27.13824 
1 1 1  -60    8   18 o   55.593   12.547  1381.51  552.925  3825.07  1528.34  1013.51  593.100   87.606   21.618   47.540   14.244 40.06567 25.88859 
1 1 1  -60    8   19 o   45.563   13.617  943.668  542.560  1026.40  1585.81  932.700  577.406   53.328   22.177   45.369   14.145 7.959473 26.30428 
1 1 1  -60    8   20 o  100.923   11.246  4519.16  905.857  5136.93  1856.76  4326.19  1037.73   94.193   24.160   96.941   13.555 -2.747955 27.70276 
1 1 1  -60    8   21 o   55.051   12.687  1446.11  555.462   53.380  1927.14  1572.30  580.080   45.140   21.114   57.408   12.774 -12.26828 24.67725 
1 1 1  -60    8   22 o   47.410   14.351  1181.44  599.782  643.054  1749.71  1253.13  638.465   43.803   20.365   48.460   14.835 -4.656902 25.19546 
1 1 1  -60    8   23 o   47.065   13.595  1223.97  548.628 -334.1782  2307.87  1317.29  564.819   38.390   19.079   48.792   13.696 -10.40176 23.48638 
1 1 1  -60   10    1 o  451.924   36.220 86998.69 13179.25   0.0000   0.0000 86998.69 13179.25  ?   ?   451.924   36.220 0.000000 36.22028 
1 1 1  -60   10    2 o  608.259   47.703 162632.30 23371.07   0.0000   0.0000 162632.30 23371.07  ?   ?   608.259   47.703 0.000000 47.70320 
1 1 1  -60   10    3 f  238.112   26.769 23877.50  5085.77   0.0000   0.0000 23877.50  5085.77  ?   ?   238.112   26.769 0.000000 26.76893 
1 1 1  -60   10    4 o  228.886   14.473 21520.11  2675.95 14944.86  3238.37 35674.91  4751.41  189.079   21.474  293.567   20.053 -104.4887 29.38149 
1 1 1  -60   10    5 o  307.424   23.952 39472.72  5931.61 39472.72  5931.61   0.0000   0.0000  307.424   23.952  ?   ?  0.000000 23.95176 
1 1 1  -60   10    6 o  266.825   21.335 29651.15  4583.72 29651.15  4583.72   0.0000   0.0000  266.825   21.335  ?   ?  0.000000 21.33542 
1 1 1  -60   10    7 f  218.539   18.577 19843.25  3265.23 19843.25  3265.23   0.0000   0.0000  218.539   18.577  ?   ?  0.000000 18.57736 
1 1 1  -60   10    8 o  184.033   14.558 13990.12  2157.68   0.0000   0.0000 13990.12  2157.68  ?   ?   184.033   14.558 0.000000 14.55837 
1 1 1  -60   10    9 o  349.651   18.297 50798.63  5176.63 49674.61  7512.78 51814.70  7142.93  340.983   27.366  349.515   25.341 -8.532135 37.29694 
1 1 1  -60   10   10 o  192.983   11.647 15327.99  1816.47 15170.95  2806.07 15441.27  2383.17  190.079   18.412  192.742   15.355 -2.663284 23.97486 
1 1 1  -60   10   11 o  184.238   11.451 14004.23  1704.49 13642.40  2637.67 14263.66  2233.48  179.613   18.344  184.897   15.006 -5.283936 23.69973 
1 1 1  -60   10   12 o  247.112   13.748 25440.08  2747.52 26798.09  4105.49 24338.51  3697.61  249.891   20.412  238.805   19.232 11.08534 28.04530 
1 1 1  -60   10   13 o   96.650   9.8449  3887.88  761.814  5637.79  1440.51  3208.43  897.609  114.635   15.905   86.836   13.142 27.79893 20.63145 
1 1 1  -60   10   14 o   36.843   12.477  532.608  444.339  351.526  1140.75  564.996  482.441   45.510   18.858   38.056   13.000 7.454178 22.90482 
1 1 1  -60   10   15 o  121.871   10.859  6242.92  1063.32  3468.89  1886.50  7534.55  1287.28   84.852   25.399  133.485   12.005 -48.63276 28.09301 
1 1 1  -60   10   16 o  164.751   11.647 11502.25  1548.05 12454.00  2566.57 10958.01  1940.83  165.538   19.467  158.439   15.276 7.099258 24.74467 
1 1 1  -60   10   17 o   42.896   11.635  809.169  415.524  1649.47  1391.11  726.852  435.401   60.683   21.961   40.881   12.194 19.80262 25.11891 
1 1 1  -60   10   18 o   98.040   9.5724  4092.92  752.292  4271.40  1896.76  4059.60  819.505   88.978   25.142   97.157   10.558 -8.179207 27.26872 
1 1 1  -60   10   19 o   74.117   11.324  2430.64  659.854  1972.06  1867.35  2496.07  705.359   62.060   24.704   74.748   12.030 -12.68876 27.47703 
1 1 1  -60   10   20 o   57.788   13.485  1581.52  621.188  938.319  1937.76  1655.19  655.798   51.932   23.045   58.884   13.933 -6.952286 26.92968 
1 1 1  -60   10   21 f   31.101   13.118  218.056  566.899 -14.2515  1997.06  238.416  591.219   44.342   20.973   31.794   13.403 12.54794 24.88982 
1 1 1  -60   10   22 o   45.232   14.556  1104.80  607.207  2681.83  2305.21  987.223  629.435   52.608   24.065   42.826   14.839 9.782227 28.27229 
1 1 1  -60   12    1 f  293.098   27.930 36165.53  6566.49   0.0000   0.0000 36165.53  6566.49  ?   ?   293.098   27.930 0.000000 27.92979 
1 1 1  -60   12    2 o   70.088   27.698  1192.77  2331.70   0.0000   0.0000  1192.77  2331.70  ?   ?    70.088   27.698 0.000000 27.69760 
1 1 1  -60   12    3 o  163.034   28.608 11432.24  3648.99   0.0000   0.0000 11432.24  3648.99  ?   ?   163.034   28.608 0.000000 28.60831 
1 1 1  -60   12    5 o  278.634   23.472 32503.96  5260.96 32503.96  5260.96   0.0000   0.0000  278.634   23.472  ?   ?  0.000000 23.47235 
1 1 1  -60   12    6 o  336.689   26.680 47881.19  7233.98 47881.19  7233.98   0.0000   0.0000  336.689   26.680  ?   ?  0.000000 26.67963 
1 1 1  -60   12    7 o  178.052   10.884 13001.04  1566.04 13273.46  2478.70 12820.05  2020.34  178.570   17.313  176.175   14.245 2.395416 22.42015 
1 1 1  -60   12    8 o  213.053   16.561 18850.35  2842.40   0.0000   0.0000 18850.35  2842.40  ?   ?   213.053   16.561 0.000000 16.56091 
1 1 1  -60   12    9 o  232.539   13.994 22348.52  2629.96 18894.72  3988.89 25004.43  3497.92  210.203   23.790  244.746   17.722 -34.54305 29.66490 
1 1 1  -60   12   10 o  337.652   15.010 47243.56  4115.10 38800.15  7475.69 50914.28  4929.10  294.574   31.757  349.320   17.378 -54.74646 36.20102 
1 1 1  -60   12   11 o   89.341   7.2876  3281.75  524.057  4725.61  1458.23  3067.61  561.575  104.685   17.792   86.223   8.1168 18.46124 19.55630 
1 1 1  -60   12   12 o  188.119   8.9560 14535.11  1368.00 18874.69  2805.08 13180.92  1566.97  210.902   16.512  178.341   10.873 32.56070 19.77069 
1 1 1  -60   12   13 o   91.059   8.0307  3430.73  587.688  2954.44  1622.72  3502.63  630.489   80.300   23.434   91.903   8.5470 -11.60355 24.94395 
1 1 1  -60   12   14 o   76.524   8.8200  2447.70  538.000  1775.18  1449.95  2555.07  579.358   64.511   22.513   78.077   9.3231 -13.56602 24.36680 
1 1 1  -60   12   15 o   82.986   8.7129  2880.78  578.328  1039.82  1589.15  3161.81  620.903   56.947   22.751   86.918   8.9245 -29.97114 24.43843 
1 1 1  -60   12   16 o   24.681   10.790 -63.9994  410.286 -1304.8240  1392.05   54.045  429.359   36.886   17.465   27.020   11.408 9.865749 20.86073 
1 1 1  -60   12   17 o  110.246   9.2219  5129.73  817.933  933.901  2072.67  5903.69  890.179   58.071   24.810  118.260   9.3467 -60.18851 26.51266 
1 1 1  -60   12   18 o   59.568   11.572  1577.26  539.544  447.396  1753.17  1695.46  567.066   50.630   22.215   61.741   11.741 -11.11124 25.12647 
1 1 1  -60   12   19 o   97.154   10.532  4130.48  817.509  5827.23  2176.09  3851.66  882.124   98.077   26.637   92.828   11.983 5.249504 29.20819 
1 1 1  -60   12   20 o   70.516   12.954  2335.90  714.396  2690.29  2156.58  2292.21  757.145   62.683   25.948   69.084   13.978 -6.401318 29.47328 
1 1 1  -60   12   21 o   28.394   12.634  -5.0141  586.306  4461.35  2211.10 -342.8055  608.073   69.799   27.153   25.565   11.925 44.23389 29.65599 
1 1 1  -60   12   22 o   56.439   17.109  1959.50  852.026  1823.28  2614.38  1975.69  901.229   46.387   22.472   55.756   17.711 -9.368790 28.61258 
1 1 1  -60   14    5 o  297.094   19.258 36673.25  4620.58 24547.18  5892.51 56033.83  7445.59  238.182   31.220  364.658   25.303 -126.4758 40.18646 
1 1 1  -60   14    6 o  186.924   12.753 14383.73  1924.09 10785.04  3189.44 16442.78  2412.54  158.183   25.716  199.406   15.010 -41.22310 29.77592 
1 1 1  -60   14    7 o  282.928   17.927 33311.54  4097.10 23070.92  6174.84 41365.98  5476.21  227.666   34.483  313.717   21.630 -86.05103 40.70565 
1 1 1  -60   14    8 o   96.467   11.222  3864.79  862.558   0.0000   0.0000  3864.79  862.558  ?   ?    96.467   11.222 0.000000 11.22184 
1 1 1  -60   14    9 o  301.557   15.941 37899.17  3889.33 42356.46  5838.47 34343.15  5214.89  314.534   23.021  283.169   22.876 31.36526 32.45430 
1 1 1  -60   14   10 o  185.855   8.7938 14148.83  1327.05 19578.91  2824.61 12610.76  1503.30  215.786   16.240  174.794   10.643 40.99275 19.41681 
1 1 1  -60   14   11 o  164.699   9.1409 11175.92  1217.61  8908.39  2667.40 11772.78  1368.52  140.891   24.188  168.805   10.030 -27.91383 26.18484 
1 1 1  -60   14   12 o  102.332   8.1323  4325.71  670.141  2061.92  1726.51  4727.27  727.153   70.035   24.559  106.935   8.4434 -36.89996 25.96982 
1 1 1  -60   14   13 f  108.713   8.1070  4888.44  710.473  6193.29  1847.02  4661.84  769.694  117.500   20.081  105.911   9.0368 11.58964 22.02058 
1 1 1  -60   14   14 o  134.898   9.0104  7566.23  981.253  4277.23  2311.68  8289.08  1083.73   92.421   28.218  141.032   9.5195 -48.61138 29.78017 
1 1 1  -60   14   15 o  125.362   8.9260  6560.32  902.639  5993.84  2267.49  6667.00  983.962  109.464   25.913  126.077   9.6858 -16.61363 27.66430 
1 1 1  -60   14   16 f   64.348   11.057  1796.89  556.886 -226.2304  1852.28  1997.93  583.900   49.024   22.084   67.968   10.952 -18.94347 24.65072 
1 1 1  -60   14   17 o  156.602   9.9340 10421.65  1256.63 11290.55  2970.21 10232.22  1386.86  146.000   26.009  154.285   11.146 -8.285019 28.29616 
1 1 1  -60   14   18 f  131.835   9.8607  7464.94  1047.90  7445.98  2728.46  7468.22  1134.95  108.705   29.953  131.199   10.748 -22.49418 31.82318 
1 1 1  -60   14   19 o   75.806   12.231  2620.33  727.212  1570.74  2373.22  2729.09  763.962   57.653   25.547   77.114   12.639 -19.46108 28.50285 
1 1 1  -60   14   20 o  109.050   14.246  5773.33  1231.29  3323.56  2943.26  6293.01  1355.61   61.549   27.771  112.662   15.208 -51.11321 31.66266 
1 1 1  -60   14   21 o   29.348   13.443 -121.2098  722.704  1643.04  2636.65 -264.5259  751.485   48.994   23.433   28.660   13.332 20.33373 26.95990 
1 1 1  -60   16    2 o   90.424   32.613  3060.55  3064.23   0.0000   0.0000  3060.55  3064.23  ?   ?    90.424   32.613 0.000000 32.61296 
1 1 1  -60   16    3 o  165.786   33.272 12211.69  4323.15   0.0000   0.0000 12211.69  4323.15  ?   ?   165.786   33.272 0.000000 33.27214 
1 1 1  -60   16    4 o   95.311   32.706  3696.93  3054.08   0.0000   0.0000  3696.93  3054.08  ?   ?    95.311   32.706 0.000000 32.70627 
1 1 1  -60   16    5 f  306.832   15.922 38965.17  3953.15 27416.54  7280.78 43792.97  4707.47  246.543   37.557  324.514   17.935 -77.97070 41.61953 
1 1 1  -60   16    6 o  104.522   10.398  4514.34  870.727  2232.62  1824.08  5187.69  990.912   74.531   25.279  112.002   11.040 -37.47044 27.58444 
1 1 1  -60   16    7 o   15.143   7.1281 -247.8321  225.687  1826.56  788.780 -432.7951  235.533   65.158   15.189   13.540   6.6012 51.61847 16.56174 
1 1 1  -60   16    8 o  113.897   12.562  5412.80  1142.44   0.0000   0.0000  5412.80  1142.44  ?   ?   113.897   12.562 0.000000 12.56230 
1 1 1  -60   16    9 o  165.589   11.942 11379.38  1594.82 11726.37  2712.92 11196.14  1971.45  164.629   20.757  163.211   15.046 1.417511 25.63611 
1 1 1  -60   16   10 o  340.786   16.884 49082.77  4671.97 36083.59  8705.45 54341.28  5536.87  265.758   41.717  356.077   19.222 -90.31863 45.93207 
1 1 1  -60   16   11 o   67.794   9.9956  1935.96  533.710  2118.28  1553.03  1911.55  568.324   69.928   23.327   67.166   10.786 2.762413 25.69959 
1 1 1  -60   16   12 o   61.155   9.2131  1576.57  443.291  3322.18  1679.34  1445.83  459.591   84.443   23.586   58.307   10.072 26.13568 25.64624 
1 1 1  -60   16   13 o   84.481   8.5864  2976.50  580.803  3343.14  1940.77  2940.43  608.700   83.345   25.924   83.830   9.0882 -0.4849472 27.47065 
1 1 1  -60   16   14 o  106.328   8.9023  4722.10  761.504  3659.19  2277.20  4855.93  808.021   84.972   28.242  107.687   9.3334 -22.71487 29.74404 
1 1 1  -60   16   15 o   91.193   9.1965  3503.56  671.663  4545.37  2092.08  3383.84  709.207   93.533   26.396   89.334   9.9461 4.199074 28.20768 
1 1 1  -60   16   16 o   32.642   12.194  369.043  434.566 -443.1158  1941.35  411.885  445.880   48.187   22.058   33.711   12.397 14.47640 25.30293 
1 1 1  -60   16   17 o   46.318   14.055  975.808  574.808 -331.4930  2180.32  1073.46  595.890   49.889   23.032   48.367   14.225 1.521950 27.07108 
1 1 1  -60   16   18 o   69.636   19.762  2547.81  1169.28   0.0000   0.0000  2547.81  1169.28  ?   ?    69.636   19.762 0.000000 19.76224 
1 1 1  -60   16   19 o   27.213   12.759 -490.2271  710.859  1408.33  2507.87 -656.0922  741.261   54.919   25.114   26.674   12.663 28.24524 28.12597 
1 1 1  -60   16   20 o   52.977   17.657  1601.70  889.922 -3246.3420  2939.23  2090.98  933.750   40.097   20.161   60.496   17.811 -20.39879 26.90152 
1 1 1  -60   16   21 o   54.363   17.151  1824.46  846.252 -1032.8220  3295.70  2026.15  875.610   41.383   20.876   57.253   17.341 -15.86979 27.13904 
1 1 1  -60   18    1 o  458.973   40.676 96142.34 15001.71   0.0000   0.0000 96142.34 15001.71  ?   ?   458.973   40.676 0.000000 40.67598 
1 1 1  -60   18    2 o  471.035   42.290 102400.50 16002.18   0.0000   0.0000 102400.50 16002.18  ?   ?   471.035   42.290 0.000000 42.29017 
1 1 1  -60   18    3 o  402.982   38.356 73826.37 12399.04   0.0000   0.0000 73826.37 12399.04  ?   ?   402.982   38.356 0.000000 38.35619 
1 1 1  -60   18    4 o  263.691   13.842 28751.30  2953.28   0.0000   0.0000 28751.30  2953.28  ?   ?   263.691   13.842 0.000000 13.84178 
1 1 1  -60   18    5 o  320.453   18.360 43091.19  4757.22 25992.07  8940.22 49845.06  5618.72  225.853   50.065  343.545   20.232 -117.6921 53.99892 
1 1 1  -60   18    6 o  238.924   13.705 23688.96  2647.62 14358.52  5006.05 27312.41  3119.64  174.268   36.546  256.031   15.073 -81.76346 39.53198 
1 1 1  -60   18    7 o  236.746   16.303 23548.91  3114.75 18020.93  5112.16 26812.58  3928.03  196.898   33.154  250.954   19.429 -54.05521 38.42722 
1 1 1  -60   18    8 o   96.673   12.931  3941.26  989.596   0.0000   0.0000  3941.26  989.596  ?   ?    96.673   12.931 0.000000 12.93104 
1 1 1  -60   18    9 o   82.660   12.102  2890.79  788.178  3562.28  1959.44  2761.17  860.897   88.109   25.762   80.311   13.693 7.798271 29.17459 
1 1 1  -60   18   10 o  242.247   15.305 24877.89  2994.87 26077.25  4860.06 24143.64  3802.66  239.523   25.376  235.071   20.117 4.451630 32.38230 
1 1 1  -60   18   11 o  156.861   11.495 10304.26  1453.94 10139.56  2951.22 10357.04  1670.76  147.290   25.606  156.477   13.275 -9.187210 28.84296 
1 1 1  -60   18   12 o   28.065   10.328  264.314  309.521 -660.7302  1640.95  298.440  315.178   45.030   20.484   29.037   10.461 15.99231 23.00064 
1 1 1  -60   18   13 o  143.316   8.7607  8543.50  1014.56 10197.17  2653.17  8260.27  1098.01  147.222   22.943  140.540   9.6811 6.681870 24.90155 
1 1 1  -60   18   14 o  211.966   10.815 18974.29  1855.22 20043.99  4113.84 18701.20  2078.58  200.991   25.804  209.265   12.287 -8.273575 28.57952 
1 1 1  -60   18   15 f   85.144   9.5429  3080.62  648.385  5496.65  2239.75  2859.63  677.390  101.116   26.835   81.634   10.460 19.48275 28.80119 
1 1 1  -60   18   16 o   35.829   13.463  461.309  531.260  3533.10  2226.37  275.840  547.063   77.976   27.834   32.961   13.284 45.01552 30.84186 
1 1 1  -60   18   17 o  110.593   9.9886  5290.69  887.276  8047.00  2949.91  5016.52  930.358  108.828   31.549  107.088   10.849 1.740158 33.36227 
1 1 1  -60   18   18 o  103.457   16.285  5258.88  1322.82  3399.52  3195.72  5643.35  1453.16   66.127   29.455  105.836   17.523 -39.70855 34.27346 
1 1 1  -60   18   19 o   43.200   16.493  904.154  804.986  3787.03  3002.93  680.951  835.568   62.071   28.025   40.362   16.365 21.70937 32.45341 
1 1 1  -60   18   20 o   65.836   17.410  2538.42  944.935 -4799.6519  3428.78  3141.55  983.001   38.303   19.523   74.884   16.603 -36.58010 25.62821 
1 1 1  -60   20    1 o   97.702   29.731  4278.66  2569.38   0.0000   0.0000  4278.66  2569.38  ?   ?    97.702   29.731 0.000000 29.73085 
1 1 1  -60   20    2 o   52.187   23.938 -1379.3250  2302.92   0.0000   0.0000 -1379.3250  2302.92  ?   ?    52.187   23.938 0.000000 23.93847 
1 1 1  -60   20    3 f   66.284   28.788   15.920  2879.71   0.0000   0.0000   15.920  2879.71  ?   ?    66.284   28.788 0.000000 28.78770 
1 1 1  -60   20    4 o  155.004   13.470 10020.61  1678.40   0.0000   0.0000 10020.61  1678.40  ?   ?   155.004   13.470 0.000000 13.46954 
1 1 1  -60   20    5 o   74.865   12.054  2370.23  707.883 -479.8354  2213.72  2694.86  747.110   55.426   24.612   79.978   11.864 -24.55183 27.32211 
1 1 1  -60   20    6 o   26.819   10.546  172.353  336.503 -4497.0029  1568.90  397.516  344.520   29.583   14.855   32.270   10.986 -2.686268 18.47569 
1 1 1  -60   20    7 o  237.814   15.488 23850.19  2974.32 20251.04  5644.88 25233.46  3499.51  204.089   35.344  243.176   17.848 -39.08705 39.59507 
1 1 1  -60   20    8 o   97.974   12.340  4050.85  959.908  5524.41  2401.98  3770.78  1047.16  108.308   27.317   93.913   14.174 14.39410 30.77508 
1 1 1  -60   20    9 o   78.195   13.453  2629.43  823.360  3099.23  2237.10  2555.82  885.517   82.405   27.995   76.668   14.760 5.736359 31.64762 
1 1 1  -60   20   10 o   49.412   14.084  1059.68  592.523 -789.2951  1962.96  1245.04  621.514   49.093   22.360   53.329   14.128 -4.235756 26.44930 
1 1 1  -60   20   11 o   25.962   10.274  159.621  321.247 -1059.2490  2205.87  186.032  324.709   50.384   23.228   26.629   10.392 23.75438 25.44673 
1 1 1  -60   20   12 o  100.288   8.3414  4188.38  673.080  5896.50  2757.84  4080.19  694.069  105.460   30.485   98.855   8.7370 6.605255 31.71210 
1 1 1  -60   20   13 o   82.486   8.4600  2853.30  558.597 -702.6422  2563.67  3030.54  572.348   54.564   25.113   85.053   8.3973 -30.48896 26.47974 
1 1 1  -60   20   14 o   98.564   9.0785  4099.06  718.389  2870.15  2891.55  4179.90  741.642   75.123   30.448   99.450   9.2921 -24.32748 31.83476 
1 1 1  -60   20   15 o  141.080   10.021  8489.83  1140.45  5828.17  3590.68  8788.45  1202.72   90.473   34.764  143.280   10.409 -52.80700 36.28917 
1 1 1  -60   20   16 o  154.076   10.512 10277.22  1307.23  8186.81  3958.08 10533.15  1384.94   97.204   36.701  155.496   11.041 -58.29265 38.32541 
1 1 1  -60   20   17 f   65.557   18.949  2277.50  1065.59  410.884  3021.96  2542.55  1138.74   54.580   25.810   68.871   19.488 -14.29082 32.34110 
1 1 1  -60   20   18 o   60.089   19.514  2084.20  1089.56  2924.38  3263.32  1978.79  1155.88   59.465   27.701   58.031   20.109 1.434624 34.23057 
1 1 1  -60   20   19 o   62.129   20.160  2512.44  1162.91  668.578  3273.69  2778.71  1244.05   47.611   23.492   64.487   20.844 -16.87602 31.40551 
1 1 1  -60   22    1 o  103.528   33.814  4983.71  3269.65   0.0000   0.0000  4983.71  3269.65  ?   ?   103.528   33.814 0.000000 33.81368 
1 1 1  -60   22    2 o  123.682   35.686  7456.54  3782.33   0.0000   0.0000  7456.54  3782.33  ?   ?   123.682   35.686 0.000000 35.68607 
1 1 1  -60   22    3 o   75.165   31.805  1000.67  3349.64   0.0000   0.0000  1000.67  3349.64  ?   ?    75.165   31.805 0.000000 31.80539 
1 1 1  -60   22    4 o  200.932   16.674 17130.76  2695.73   0.0000   0.0000 17130.76  2695.73  ?   ?   200.932   16.674 0.000000 16.67366 
1 1 1  -60   22    5 o  177.014   14.152 13178.36  2017.08 10248.65  5052.21 13733.91  2200.03  138.812   41.568  180.269   15.171 -41.45667 44.24973 
1 1 1  -60   22    6 o   91.708   13.319  3578.83  962.781  4008.95  2675.84  3514.86  1031.89   92.511   30.608   90.488   14.537 2.022430 33.88418 
1 1 1  -60   22    7 o  118.750   15.002  6035.84  1414.20   0.0000   0.0000  6035.84  1414.20  ?   ?   118.750   15.002 0.000000 15.00160 
1 1 1  -60   22    8 o   63.829   16.080  1803.12  832.978 -865.3746  2395.72  2170.08  888.408   54.244   24.704   70.081   15.969 -15.83709 29.41605 
1 1 1  -60   22    9 o   51.852   16.516  1150.47  783.318  2832.09  2220.16  911.380  837.154   78.588   27.823   48.277   17.086 30.31165 32.65001 
1 1 1  -60   22   10 o   57.995   17.326  1497.39  878.540  1890.02  2445.22  1439.19  941.401   70.629   28.219   57.176   18.095 13.45335 33.52272 
1 1 1  -60   22   11 o   79.478   16.290  2840.44  1015.92  5083.12  2768.04  2491.32  1092.14   97.157   31.059   73.530   18.351 23.62730 36.07499 
1 1 1  -60   22   12 f   26.664   10.243  208.938  311.665 -875.8915  2518.45  225.810  314.079   53.210   24.632   27.117   10.314 26.09280 26.70392 
1 1 1  -60   22   13 o   46.539   10.921  954.196  405.593  3340.54  2475.25  888.356  411.150   78.279   29.130   44.834   11.298 33.44429 31.24403 
1 1 1  -60   22   14 o  110.767   9.5385  5223.47  849.522  2202.12  3260.38  5443.53  879.916   69.315   30.357  113.012   9.6826 -43.69672 31.86358 
1 1 1  -60   22   15 o   78.715   9.9930  2690.89  624.309  4715.09  2993.06  2598.81  638.350   81.162   31.586   77.101   10.467 4.061653 33.27526 
1 1 1  -60   22   16 o   65.362   19.869  2307.05  1148.01 -823.9302  3558.41  2670.79  1212.87   53.381   25.943   70.103   20.203 -16.72224 32.88123 
1 1 1  -60   22   17 f   34.061   15.009  110.191  808.025  2478.85  3358.75 -35.3168  832.474   58.479   27.518   33.077   14.861 25.40136 31.27465 
1 1 1  -60   22   18 o   30.348   14.378 -521.3746  946.054  1232.98  3578.69 -653.1887  980.951   50.007   24.653   30.102   14.368 19.90445 28.53414 
1 1 1  -60   24    1 o   83.103   32.779  2526.47  3260.02   0.0000   0.0000  2526.47  3260.02  ?   ?    83.103   32.779 0.000000 32.77906 
1 1 1  -60   24    2 f   71.274   30.727  633.434  3232.30   0.0000   0.0000  633.434  3232.30  ?   ?    71.274   30.727 0.000000 30.72666 
1 1 1  -60   24    3 o  149.385   15.088  9482.40  1805.07   0.0000   0.0000  9482.40  1805.07  ?   ?   149.385   15.088 0.000000 15.08844 
1 1 1  -60   24    4 o  189.318   16.846 15368.27  2562.46   0.0000   0.0000 15368.27  2562.46  ?   ?   189.318   16.846 0.000000 16.84571 
1 1 1  -60   24    5 o  122.620   14.993  6439.61  1461.71   0.0000   0.0000  6439.61  1461.71  ?   ?   122.620   14.993 0.000000 14.99349 
1 1 1  -60   24    6 o   92.142   14.864  3677.01  1074.26  6140.28  3628.94  3440.42  1124.66  108.150   35.638   88.553   16.240 19.59651 39.16354 
1 1 1  -60   24    7 o   67.314   16.309  2018.31  881.987  1349.80  3106.35  2076.93  919.843   72.222   30.598   68.186   16.738 4.035660 34.87705 
1 1 1  -60   24    8 f  106.939   15.241  4982.24  1285.96  6532.62  3708.11  4770.29  1371.05  108.335   36.040  103.850   16.836 4.484482 39.77855 
1 1 1  -60   24    9 o  116.490   15.866  5965.65  1461.66  7403.70  3949.71  5737.46  1573.36  112.057   37.192  113.191   17.699 -1.134422 41.18808 
1 1 1  -60   24   10 o   96.613   34.518  5405.30  3424.81  5405.30  3424.81   0.0000   0.0000   96.613   34.518  ?   ?  0.000000 34.51846 
1 1 1  -60   24   11 o  121.148   16.288  6590.68  1561.65  7212.94  4019.85  6480.07  1694.77  104.505   37.391  118.802   18.145 -14.29729 41.56079 
1 1 1  -60   24   12 o   30.733   10.684  367.887  326.438 -3181.5339  3267.15  403.678  328.079   50.928   24.775   31.684   10.721 19.24394 26.99559 
1 1 1  -60   24   13 o  129.519   9.7141  7152.60  1014.14  3007.55  4385.68  7386.77  1042.40   74.085   33.619  131.558   9.8293 -57.47335 35.02618 
1 1 1  -60   24   14 o  116.449   18.647  6677.47  1703.60  1810.29  4556.70  7468.33  1836.80   66.543   31.534  122.794   19.039 -56.25151 36.83580 
1 1 1  -60   24   15 o   42.489   17.792  570.816  1030.70 -2986.7720  3517.35  904.993  1078.02   48.084   23.838   46.524   18.684 1.560005 30.28794 
1 1 1  -60   24   16 o   50.478   19.869  1361.54  1195.47  5940.23  4268.07  971.747  1245.32   67.832   31.626   46.614   19.540 21.21823 37.17548 
1 1 1  -60   24   17 o   51.988   20.467  1736.24  1268.75  3177.21  4633.07  1619.42  1319.18   53.858   26.810   50.610   20.548 3.247669 33.77839 
1 1 1  -60   26    1 o   89.000   9.8281  3312.12  698.380   0.0000   0.0000  3312.12  698.380  ?   ?    89.000   9.8281 0.000000 9.828115 
1 1 1  -60   26    2 f   47.052   15.212  922.133  662.584   0.0000   0.0000  922.133  662.584  ?   ?    47.052   15.212 0.000000 15.21186 
1 1 1  -60   26    3 o  106.596   15.471  4922.08  1299.95   0.0000   0.0000  4922.08  1299.95  ?   ?   106.596   15.471 0.000000 15.47115 
1 1 1  -60   26    4 o   50.776   16.621  1084.43  789.868   0.0000   0.0000  1084.43  789.868  ?   ?    50.776   16.621 0.000000 16.62125 
1 1 1  -60   26    5 o   29.407   13.063 -184.3410  624.131   0.0000   0.0000 -184.3410  624.131  ?   ?    29.407   13.063 0.000000 13.06270 
1 1 1  -60   26    6 o   83.780   16.995  3144.04  1116.60   0.0000   0.0000  3144.04  1116.60  ?   ?    83.780   16.995 0.000000 16.99534 
1 1 1  -60   26    7 o  187.879   17.477 15614.62  2635.63 13502.82  6905.66 15974.68  2851.49  132.303   48.768  188.807   18.852 -56.50385 52.28484 
1 1 1  -60   26    8 o  148.575   16.759  9804.77  1986.43  6987.00  5409.51 10243.95  2135.63  102.234   41.570  151.140   17.740 -48.90591 45.19729 
1 1 1  -60   26    9 o   76.642   33.202  2400.51  3811.14  2790.88  4292.15  945.830  8285.52   79.808   34.894   83.794   40.451 -3.985863 53.42175 
1 1 1  -60   26   10 o   55.122   19.443  1346.22  1083.27 -3313.5640  4505.70  1632.10  1116.00   59.778   29.084   59.260   19.774 0.5181847 35.16995 
1 1 1  -60   26   11 o   70.813   19.987  2477.84  1199.44 -14047.6904  3970.90  4136.98  1258.21   39.378   20.148   94.116   17.094 -54.73723 26.42290 
1 1 1  -60   26   12 o   56.480   19.696  1538.20  1109.76 -183.5906  3726.63  1705.74  1162.50   60.088   28.488   58.824   20.179 1.263577 34.91029 
1 1 1  -60   26   13 o   34.434   16.015 -557.1959  1083.87  4799.48  3847.19 -1019.0200  1129.62   75.946   33.126   32.475   15.478 43.47122 36.56338 
1 1 1  -60   26   14 o   75.017   22.071  3273.84  1434.22  3757.86  5192.85  3233.87  1492.26   65.340   31.658   73.730   22.699 -8.390007 38.95459 
1 1 1  -60   26   15 o  120.429   22.119  8567.85  2083.21  5051.99  5675.90  9115.20  2239.50   61.295   30.369  121.860   23.485 -60.56508 38.39019 
1 1 1  -60   26   16 o   41.761   18.529  661.832  1252.24  2135.79  5578.34  583.614  1285.04   51.655   26.183   41.365   18.533 10.28904 32.07856 
1 1 1  -60   28    1 o  200.736   18.247 17776.83  2941.59   0.0000   0.0000 17776.83  2941.59  ?   ?   200.736   18.247 0.000000 18.24687 
1 1 1  -60   28    2 o  171.059   17.092 12836.37  2342.17   0.0000   0.0000 12836.37  2342.17  ?   ?   171.059   17.092 0.000000 17.09178 
1 1 1  -60   28    3 o  176.392   17.286 13704.95  2443.93   0.0000   0.0000 13704.95  2443.93  ?   ?   176.392   17.286 0.000000 17.28576 
1 1 1  -60   28    4 o  168.428   17.430 12568.67  2349.26   0.0000   0.0000 12568.67  2349.26  ?   ?   168.428   17.430 0.000000 17.43048 
1 1 1  -60   28    5 o  130.001   17.566  7572.55  1806.70   0.0000   0.0000  7572.55  1806.70  ?   ?   130.001   17.566 0.000000 17.56581 
1 1 1  -60   28    6 o  114.611   18.565  6010.75  1668.61   0.0000   0.0000  6010.75  1668.61  ?   ?   114.611   18.565 0.000000 18.56542 
1 1 1  -60   28    7 o  158.045   18.237 11398.89  2297.40  8898.62  7438.28 11662.56  2415.50  101.460   45.081  159.074   19.082 -57.61457 48.95284 
1 1 1  -60   28    8 o   85.832   19.784  3542.50  1350.51  817.541  5727.83  3702.90  1389.69   74.815   35.426   87.680   19.967 -12.86490 40.66509 
1 1 1  -60   28    9 o   65.361   20.614  2104.75  1222.57 -1824.2581  5495.51  2309.33  1254.00   65.982   32.107   68.177   20.776 -2.194244 38.24250 
1 1 1  -60   28   10 o   43.833   18.251  503.006  1075.86 -10146.1797  5514.14  924.439  1096.94   51.996   26.320   48.715   19.076 3.280579 32.50637 
1 1 1  -60   28   11 o  117.971   20.502  7089.48  1892.58  6330.31  7210.63  7145.65  1961.34   76.966   37.294  117.456   21.352 -40.49012 42.97396 
1 1 1  -60   28   12 f   68.649   21.896  2668.66  1376.36  3665.59  5491.08  2601.82  1421.75   67.597   32.703   67.414   22.311 0.1822128 39.58898 
1 1 1  -60   28   13 o   87.284   23.188  4621.51  1671.29 -255.4850  5374.36  5143.63  1758.48   56.319   28.165   92.045   23.460 -35.72623 36.65545 
1 1 1  -60   28   14 o   38.150   17.446   58.837  1210.47  4066.49  5672.40 -132.3712  1239.01   57.719   28.876   37.213   17.244 20.50568 33.63282 
1 1 1  -60   30    1 o  150.373   18.824 10305.43  2248.07   0.0000   0.0000 10305.43  2248.07  ?   ?   150.373   18.824 0.000000 18.82444 
1 1 1  -60   30    2 o  239.691   21.751 27022.90  4187.03   0.0000   0.0000 27022.90  4187.03  ?   ?   239.691   21.751 0.000000 21.75060 
1 1 1  -60   30    3 o   65.798   19.870  2043.67  1150.83   0.0000   0.0000  2043.67  1150.83  ?   ?    65.798   19.870 0.000000 19.86973 
1 1 1  -60   30    4 o   41.888   16.706  509.503  855.568   0.0000   0.0000  509.503  855.568  ?   ?    41.888   16.706 0.000000 16.70650 
1 1 1  -60   30    5 o   66.533   20.071  2134.10  1174.71   0.0000   0.0000  2134.10  1174.71  ?   ?    66.533   20.071 0.000000 20.07097 
1 1 1  -60   30    6 o   80.542   21.071  3229.40  1393.82   0.0000   0.0000  3229.40  1393.82  ?   ?    80.542   21.071 0.000000 21.07098 
1 1 1  -60   30    7 o  138.170   20.244  9291.38  2203.79  7811.85  9388.10  9377.66  2267.14   85.804   41.799  138.138   20.863 -52.33391 46.71624 
1 1 1  -60   30    8 o   67.160   22.346  2369.98  1425.53  6667.76  7843.68  2223.18  1449.68   81.007   39.166   65.268   22.526 15.73944 45.18165 
1 1 1  -60   30    9 o   39.621   17.621   17.939  1138.94  937.129  7160.50  -5.9198  1153.63   68.047   33.782   39.639   17.674 28.40755 38.12626 
1 1 1  -60   30   10 o  123.725   22.210  8325.62  2149.26  9635.86  7982.38  8223.21  2231.67   75.583   37.175  121.029   23.557 -45.44601 44.01043 
1 1 1  -60   30   11 o   44.314   19.332  550.272  1310.82  4202.13  7087.99  420.953  1333.82   64.049   32.077   43.503   19.221 20.54605 37.39483 
1 1 1  -60   30   12 o   44.216   19.248  706.841  1293.43 13221.60  8198.66  387.418  1309.83   66.645   33.531   41.879   18.741 24.76566 38.41273 
1 1 1  -60   32    1 o   65.783   21.451  2151.49  1316.05   0.0000   0.0000  2151.49  1316.05  ?   ?    65.783   21.451 0.000000 21.45090 
1 1 1  -60   32    2 o  142.621   21.133  9992.58  2373.19   0.0000   0.0000  9992.58  2373.19  ?   ?   142.621   21.133 0.000000 21.13273 
1 1 1  -60   32    3 o   62.850   21.505  1964.24  1320.20   0.0000   0.0000  1964.24  1320.20  ?   ?    62.850   21.505 0.000000 21.50496 
1 1 1  -60   32    4 o  117.169   21.352  6916.95  1956.51   0.0000   0.0000  6916.95  1956.51  ?   ?   117.169   21.352 0.000000 21.35180 
1 1 1  -60   32    5 o   75.079   21.491  2961.88  1376.71   0.0000   0.0000  2961.88  1376.71  ?   ?    75.079   21.491 0.000000 21.49135 
1 1 1  -60   32    6 o   82.758   22.897  3766.85  1590.56   0.0000   0.0000  3766.85  1590.56  ?   ?    82.758   22.897 0.000000 22.89672 
1 1 1  -60   32    7 o   70.646   23.110  2860.61  1527.03   0.0000   0.0000  2860.61  1527.03  ?   ?    70.646   23.110 0.000000 23.10985 
1 1 1  -60   32    8 o   91.054   24.064  4928.32  1805.95  7045.20 11744.51  4877.05  1827.69   67.846   34.709   90.046   24.393 -22.19953 42.42365 
1 1 1  -60   32    9 o   90.796   24.958  5257.29  1897.04 -9613.6885 11579.65  5667.41  1923.02   57.014   29.422   95.117   24.685 -38.10241 38.40561 
1 1 1  -60   32   10 o   41.184   18.796  181.027  1396.22  6937.56 10366.39   56.195  1409.06   59.697   30.672   40.520   18.638 19.17755 35.89029 
1 1 1  -60   34    1 f   69.500   34.090  3156.95  6568.51   0.0000   0.0000  3156.95  6568.51  ?   ?    69.500   34.090 0.000000 34.08994 
1 1 1  -60   34    2 o   73.951   35.760  6088.59  6544.49   0.0000   0.0000  6088.59  6544.49  ?   ?    73.951   35.760 0.000000 35.75954 
1 1 1  -60   34    3 o   64.736   22.590  2378.97  1459.91   0.0000   0.0000  2378.97  1459.91  ?   ?    64.736   22.590 0.000000 22.58993 
1 1 1  -60   34    4 o   45.550   19.141  715.554  1199.65   0.0000   0.0000  715.554  1199.65  ?   ?    45.550   19.141 0.000000 19.14075 
1 1 1  -60   34    5 o   61.733   31.409  247.467  8574.82   0.0000   0.0000  247.467  8574.82  ?   ?    61.733   31.409 0.000000 31.40918 
1 1 1  -60   34    6 o   91.605   26.270  5626.01  2055.35   0.0000   0.0000  5626.01  2055.35  ?   ?    91.605   26.270 0.000000 26.27032 
1 1 1  -59    1    1 o  170.526   13.915 11941.79  1909.90 13055.35  2693.35 10815.46  2708.74  177.527   18.979  160.948   21.247 16.57904 28.48899 
1 1 1  -59    1    2 o  390.924   21.848 63010.98  6907.27 66445.30  9766.95 59574.67  9769.78  398.658   30.402  376.677   32.254 21.98035 44.32418 
1 1 1  -59    1    3 o  819.596   28.297 278711.69 18831.53 268209.09 22912.19 300576.41 33059.13  799.232   35.307  832.116   49.147 -32.88348 60.51465 
1 1 1  -59    1    4 o  240.872   18.037 23906.14  3502.07 23906.14  3502.07   0.0000   0.0000  240.872   18.037  ?   ?  0.000000 18.03700 
1 1 1  -59    1    5 o  308.334   22.311 39385.69  5547.98   0.0000   0.0000 39385.69  5547.98  ?   ?   308.334   22.311 0.000000 22.31098 
1 1 1  -59    1    6 o   90.427   7.8163  3351.24  568.260  3446.82  833.507  3268.23  776.771   91.227   11.509   88.874   10.999 2.352966 15.91934 
1 1 1  -59    1    7 o  353.414   17.936 51432.00  5130.12 50928.96  7285.34 51926.78  7225.20  349.037   25.891  352.646   25.403 -3.608185 36.27214 
1 1 1  -59    1    8 o  241.520   13.090 23914.62  2557.41 23979.14  3638.61 23851.63  3595.24  240.622   18.772  240.021   18.593 0.6015320 26.42115 
1 1 1  -59    1    9 o  735.448   37.356 233942.20 22234.23 254423.70 31461.23 213505.59 31426.69  745.631   52.296  674.313   57.962 71.31824 78.06696 
1 1 1  -59    1   10 o  426.812   21.646 75913.48  7477.06 77866.86 10597.59 73977.27 10550.89  426.748   30.791  415.408   31.516 11.34018 44.06038 
1 1 1  -59    1   11 o  141.430   10.527  8218.84  1200.19  8881.73  1708.23  7572.62  1686.61  146.283   14.576  134.709   15.715 11.57430 21.43423 
1 1 1  -59    1   12 o   76.764   11.756  2470.64  709.400  1408.38  1065.06  3317.69  951.071   59.055   19.299   88.811   13.624 -29.75675 23.62346 
1 1 1  -59    1   13 o  179.089   11.866 13252.46  1715.78 13860.77  2462.31 12678.32  2392.16  181.583   16.894  173.489   17.209 8.094223 24.11549 
1 1 1  -59    1   14 f  ?   ?  -1994.7400  476.030 -2722.1890  627.291 -1007.0010  730.952  ?   ?    25.625   12.277 0.000000 12.27748 
1 1 1  -59    1   15 o  235.861   14.142 23441.26  2695.82 23587.42  3855.74 23301.48  3770.63  231.876   20.697  230.753   20.332 1.122406 29.01317 
1 1 1  -59    1   16 o   73.045   7.1164  2210.26  416.715   0.0000   0.0000  2210.26  416.715  ?   ?    73.045   7.1164 0.000000 7.116370 
1 1 1  -59    1   17 o  153.038   8.9849  9749.34  1111.58  9449.91  2184.25  9853.99  1291.31  144.684   19.056  153.202   10.443 -8.517487 21.73025 
1 1 1  -59    1   18 o   39.885   10.243  693.726  333.459 -422.2405  1154.88  795.226  348.293   38.030   17.255   42.690   10.189 -4.659470 20.03925 
1 1 1  -59    1   19 o   24.221   9.0581  191.577  239.928  194.757  358.927  189.009  322.592   27.433   10.859   26.371   10.340 1.061871 14.99423 
1 1 1  -59    1   20 o   21.069   8.9162   29.696  263.290 -232.6518  408.940  215.442  344.097   22.153   10.134   27.308   10.687 -5.155237 14.72805 
1 1 1  -59    1   21 o   20.502   9.0547 -59.0005  295.694 -648.2023  415.620  544.908  420.775   18.317   8.8936   35.521   12.141 -17.20453 15.04972 
1 1 1  -59    1   22 o   10.585   5.3323 -646.3149  210.943 -666.0403  290.094 -624.1824  307.285   13.664   6.7863   14.601   7.2031 -0.9375153 9.896412 
1 1 1  -59    1   23 o   53.656   8.5851  1304.97  361.414  1684.42  489.316  849.477  536.118   59.678   10.480   40.477   13.705 19.20082 17.25281 
1 1 1  -59    3    1 o  647.818   33.266 175701.70 17439.17 171467.50 24639.52 179952.00 24685.96  629.300   48.598  645.712   47.416 -16.41187 67.89664 
1 1 1  -59    3    2 o  320.931   10.714 41943.59  2791.80 37371.15  3919.12 46654.31  3977.94  301.941   16.043  338.043   14.493 -36.10239 21.61987 
1 1 1  -59    3    3 o  637.167   26.510 168061.09 13714.94 171631.59 16658.38 160548.80 24163.13  641.081   32.002  606.827   49.470 34.25397 58.91923 
1 1 1  -59    3    4 o  352.213   25.598 51590.93  7270.64 51590.93  7270.64   0.0000   0.0000  352.213   25.598  ?   ?  0.000000 25.59818 
1 1 1  -59    3    5 o  293.216   14.966 35240.57  3551.20 35922.89  5097.77 34597.29  4949.80  294.583   21.460  289.129   21.233 5.454285 30.18877 
1 1 1  -59    3    6 o  212.908   16.249 18673.69  2787.77   0.0000   0.0000 18673.69  2787.77  ?   ?   212.908   16.249 0.000000 16.24867 
1 1 1  -59    3    7 o  436.772   21.569 78791.95  7649.43 80823.46 10894.57 76816.60 10742.88  437.514   30.866  426.276   31.256 11.23822 43.92725 
1 1 1  -59    3    8 o  751.700   37.947 243510.09 23086.45 248854.41 32722.63 238213.50 32576.21  736.894   55.088  719.219   56.230 17.67542 78.71805 
1 1 1  -59    3    9 o  176.830   10.716 12807.95  1531.41 13531.43  2252.03 12185.64  2088.66  180.929   15.479  171.699   15.137 9.229462 21.64945 
1 1 1  -59    3   10 o  434.957   21.743 78705.61  7679.04 83729.13 10926.89 73803.59 10793.93  442.530   30.598  414.129   32.357 28.40118 44.53319 
1 1 1  -59    3   11 o  336.521   17.577 46969.00  4786.21 47856.16  6839.23 46117.51  6700.36  335.972   25.255  329.806   25.212 6.166107 35.68577 
1 1 1  -59    3   12 o  246.814   13.737 25159.69  2742.09 28349.09  3953.03 22201.74  3806.90  260.143   18.842  229.325   20.667 30.81767 27.96686 
1 1 1  -59    3   13 o  174.454   8.4854 12444.42  1201.96 15036.73  2297.92 11468.02  1410.28  189.771   15.036  166.844   10.463 22.92659 18.31830 
1 1 1  -59    3   14 o  126.685   8.0557  6598.56  824.343  6709.56  1664.70  6562.49  948.845  125.211   16.798  126.066   9.3359 -0.8557434 19.21771 
1 1 1  -59    3   15 o  107.472   8.0467  4768.72  697.085  3716.09  1410.80  5108.72  801.800   91.075   19.654  111.039   8.9696 -19.96413 21.60428 
1 1 1  -59    3   16 o   77.779   8.3136  2520.93  516.903  5087.21  1296.96  2036.32  563.599  108.305   15.164   69.296   10.332 39.00898 18.34953 
1 1 1  -59    3   17 o   41.513   10.135  747.411  338.652 -814.7377  1205.62  881.225  352.859   36.644   16.991   45.142   9.8994 -8.497875 19.66450 
1 1 1  -59    3   18 o   57.095   10.588  1413.72  472.780  2091.47  1391.03  1325.21  502.706   66.278   22.075   54.920   11.635 11.35761 24.95347 
1 1 1  -59    3   19 o  146.540   9.2070  9069.94  1089.94  8961.54  2205.67  9104.96  1253.70  135.832   20.649  145.872   10.659 -10.04068 23.23759 
1 1 1  -59    3   20 o  117.614   9.1245  5904.34  864.557  6640.40  2069.13  5748.65  951.607  110.872   23.702  115.303   10.272 -4.430229 25.83238 
1 1 1  -59    3   21 o   47.917   11.839  1062.60  457.930  123.586  1699.46  1136.11  475.518   45.378   20.721   49.515   11.962 -4.136707 23.92569 
1 1 1  -59    3   22 o   58.330   10.365  1557.67  472.914  553.498  1576.04  1657.03  495.759   44.518   20.183   60.084   10.547 -15.56634 22.77221 
1 1 1  -59    3   23 o   66.542   11.108  2126.36  579.005  695.433  1768.70  2298.12  612.769   42.612   20.026   69.012   11.329 -26.40001 23.00776 
1 1 1  -59    5    1 o  640.021   26.333 169412.59 13684.73 160500.00 16620.37 188173.70 24113.90  618.814   33.199  661.566   45.161 -42.75171 56.05064 
1 1 1  -59    5    2 o  516.790   21.677 109843.10  9096.03 106552.20 11010.89 116914.80 16141.11  506.577   26.865  524.917   38.131 -18.33997 46.64481 
1 1 1  -59    5    3 o  282.720   12.997 32609.36  2983.56 29875.29  3522.15 39555.20  5613.91  269.779   16.153  309.090   22.524 -39.31064 27.71738 
1 1 1  -59    5    4 o  164.898   14.644 11197.36  1940.29 11197.36  1940.29   0.0000   0.0000  164.898   14.644  ?   ?  0.000000 14.64394 
1 1 1  -59    5    5 o  143.076   13.943  8441.34  1599.21  8441.34  1599.21   0.0000   0.0000  143.076   13.943  ?   ?  0.000000 13.94292 
1 1 1  -59    5    6 o  104.583   8.2805  4478.94  697.412  3603.08  1093.95  5078.64  905.216   92.676   15.054  111.188   10.138 -18.51141 18.14965 
1 1 1  -59    5    7 o  189.251   14.875 14752.85  2267.29   0.0000   0.0000 14752.85  2267.29  ?   ?   189.251   14.875 0.000000 14.87464 
1 1 1  -59    5    8 o  169.644   10.252 11778.48  1405.57 12521.58  2123.44 11198.96  1875.19  174.126   15.170  164.792   14.152 9.334229 20.74631 
1 1 1  -59    5    9 o  411.905   20.891 70484.70  6964.19 70273.81  9962.86 70686.20  9738.66  406.178   30.430  407.880   29.607 -1.702057 42.45647 
1 1 1  -59    5   10 o  107.893   9.5364  4785.92  826.838  5072.21  1296.89  4589.86  1073.25  110.152   14.881  105.096   12.844 5.055939 19.65767 
1 1 1  -59    5   11 o  365.206   19.134 55571.28  5654.18 52738.61  8090.40 58275.78  7905.24  350.217   28.703  369.733   26.508 -19.51514 39.07105 
1 1 1  -59    5   12 o  108.675   7.5515  4839.81  662.208  5284.08  1409.74  4714.03  750.117  111.882   15.971  107.081   8.7026 4.801025 18.18855 
1 1 1  -59    5   13 o  156.002   8.2605  9979.90  1042.61 12888.73  2065.12  8984.82  1207.85  175.609   14.616  147.616   10.139 27.99359 17.78806 
1 1 1  -59    5   14 o  195.976   10.177 15865.37  1613.78 11206.63  3036.68 17698.90  1905.06  158.118   24.441  206.574   11.402 -48.45544 26.96960 
1 1 1  -59    5   15 o   16.257   7.4817 -171.8722  227.476  392.514  1022.39 -201.2663  233.324   44.147   18.025   16.098   7.4678 28.04951 19.51106 
1 1 1  -59    5   16 o   62.881   8.3831  1658.73  417.354 -441.9213  1249.23  1922.66  442.796   40.219   18.125   67.817   8.2085 -27.59790 19.89712 
1 1 1  -59    5   17 o  133.178   8.7183  7387.90  937.561  6315.35  1991.73  7693.21  1062.66  115.627   22.019  135.499   9.7233 -19.87303 24.07013 
1 1 1  -59    5   18 o  117.900   8.7210  5825.93  828.950  7235.26  1891.54  5490.92  922.226  124.535   19.333  113.846   10.081 10.68900 21.80343 
1 1 1  -59    5   19 o   77.077   9.2536  2535.83  567.554  4142.52  1634.93  2315.68  605.189   89.801   22.476   73.106   10.496 16.69459 24.80570 
1 1 1  -59    5   20 o   19.517   8.6287 -65.6729  269.241 -230.0332  1471.48 -59.9796  273.865   42.295   19.301   19.790   8.7283 22.50522 21.18254 
1 1 1  -59    5   21 f   37.427   11.804  633.983  400.887 -1974.3199  1637.68  800.239  413.466   35.045   17.154   41.605   11.732 -6.560841 20.78270 
1 1 1  -59    5   22 o   41.055   12.744  817.828  469.303 -711.7790  1845.93  923.528  485.247   39.922   19.226   43.421   12.855 -3.499451 23.12818 
1 1 1  -59    5   23 o   21.446   9.8737 -174.9588  396.730 -2957.1790  1930.11 -52.2242  405.386   31.916   16.084   23.173   10.394 8.742956 19.15045 
1 1 1  -59    7    1 o  334.786   28.229 46840.96  7601.93   0.0000   0.0000 46840.96  7601.93  ?   ?   334.786   28.229 0.000000 28.22851 
1 1 1  -59    7    2 o  201.444   23.061 16938.47  3704.09   0.0000   0.0000 16938.47  3704.09  ?   ?   201.444   23.061 0.000000 23.06138 
1 1 1  -59    7    3 o  314.546   14.812 40437.37  3783.03 37170.32  4480.38 48551.26  7060.76  300.472   18.453  341.491   25.652 -41.01877 31.59981 
1 1 1  -59    7    4 o  375.581   27.667 58975.79  8377.88 58975.79  8377.88   0.0000   0.0000  375.581   27.667  ?   ?  0.000000 27.66689 
1 1 1  -59    7    5 o  218.848   17.907 19785.83  3154.20 19785.83  3154.20   0.0000   0.0000  218.848   17.907  ?   ?  0.000000 17.90723 
1 1 1  -59    7    6 o  148.708   14.460  9131.21  1723.88  9131.21  1723.88   0.0000   0.0000  148.708   14.460  ?   ?  0.000000 14.45977 
1 1 1  -59    7    7 o  590.196   28.717 146164.00 13761.83 153013.20 19604.54 139510.30 19322.85  592.862   40.977  564.603   42.460 28.25922 59.00814 
1 1 1  -59    7    8 o  123.680   8.8425  6263.61  882.150  6583.59  1424.95  6064.77  1123.28  126.003   14.174  121.321   11.542 4.681358 18.27878 
1 1 1  -59    7    9 o  269.576   14.313 29889.38  3121.60 30586.10  4573.46 29281.69  4271.23  270.733   20.968  265.196   19.983 5.536987 28.96507 
1 1 1  -59    7   10 o  294.471   12.401 35520.43  2965.11 36207.15  5359.68 35217.57  3559.42  293.467   22.668  292.227   15.052 1.240143 27.21075 
1 1 1  -59    7   11 o   78.540   10.136  2563.35  631.324  6331.51  1144.20  914.069  756.981  123.785   11.516   48.469   16.285 75.31577 19.94586 
1 1 1  -59    7   12 o  110.648   7.5685  5018.98  675.885  5005.96  1563.86  5021.96  749.500  108.013   18.497  110.555   8.4125 -2.542213 20.31980 
1 1 1  -59    7   13 o  103.114   7.6412  4370.08  635.206  3649.01  1444.44  4542.96  707.265   91.006   20.085  105.019   8.3635 -14.01373 21.75715 
1 1 1  -59    7   14 o  273.550   12.064 31074.97  2679.57 33518.91  4875.26 30017.13  3207.48  276.427   21.900  266.947   14.857 9.479401 26.46401 
1 1 1  -59    7   15 f   85.788   9.9822  3085.60  682.327  2654.93  1390.79  3222.12  783.039   76.193   21.529   87.310   11.311 -11.11716 24.31925 
1 1 1  -59    7   16 o   86.303   9.8120  3132.31  675.361  2113.09  1457.90  3410.79  762.060   68.241   22.593   89.835   10.655 -21.59418 24.97958 
1 1 1  -59    7   17 o   94.834   10.046  3801.19  761.818  3431.91  1595.82  3910.18  866.987   83.950   22.815   95.677   11.383 -11.72673 25.49719 
1 1 1  -59    7   18 o  150.607   11.324  9699.59  1374.64  9829.50  2383.77  9634.87  1682.58  143.242   21.130  148.026   14.172 -4.783951 25.44264 
1 1 1  -59    7   19 f   62.175   11.289  1706.33  548.922  1366.51  1361.20  1772.33  599.859   55.721   21.406   63.018   12.164 -7.296764 24.62061 
1 1 1  -59    7   20 o   77.127   11.059  2633.41  672.727  1103.32  1808.99  2878.97  724.701   54.011   23.130   80.493   11.408 -26.48173 25.78995 
1 1 1  -59    7   21 o   52.865   13.816  1353.31  599.628  1060.02  1841.56  1388.09  634.188   51.137   22.590   53.255   14.345 -2.117672 26.75958 
1 1 1  -59    7   22 o   48.617   13.192  1182.27  534.010  969.354  2005.97  1198.51  554.001   47.462   21.975   48.738   13.523 -1.276237 25.80280 
1 1 1  -59    7   23 f   45.634   13.681  1130.51  547.072  1869.51  2205.53  1082.06  564.720   46.509   22.011   44.372   14.012 2.137001 26.09249 
1 1 1  -59    9    2 o  253.324   26.362 26889.81  5343.01   0.0000   0.0000 26889.81  5343.01  ?   ?   253.324   26.362 0.000000 26.36208 
1 1 1  -59    9    3 o  139.802   26.501  8369.10  2898.15   0.0000   0.0000  8369.10  2898.15  ?   ?   139.802   26.501 0.000000 26.50093 
1 1 1  -59    9    4 f  231.287   14.884 21972.70  2780.32 20309.77  3387.72 25403.86  4866.21  221.495   19.021  246.415   24.652 -24.91972 31.13719 
1 1 1  -59    9    5 o   96.645   13.147  3885.06  1004.92  3885.06  1004.92   0.0000   0.0000   96.645   13.147  ?   ?  0.000000 13.14730 
1 1 1  -59    9    6 o  236.615   19.203 23209.03  3657.51 23209.03  3657.51   0.0000   0.0000  236.615   19.203  ?   ?  0.000000 19.20292 
1 1 1  -59    9    7 o  216.762   18.126 19477.81  3160.93 19477.81  3160.93   0.0000   0.0000  216.762   18.126  ?   ?  0.000000 18.12579 
1 1 1  -59    9    8 o  227.176   17.136 21365.00  3137.64   0.0000   0.0000 21365.00  3137.64  ?   ?   227.176   17.136 0.000000 17.13610 
1 1 1  -59    9    9 o  416.728   20.577 72148.73  6962.51 76172.44 10013.89 68383.30  9687.18  422.350   29.384  399.612   30.076 22.73734 42.04697 
1 1 1  -59    9   10 o  133.118   9.5021  7272.56  1020.32  8364.14  1729.26  6689.58  1263.74  141.682   15.273  127.146   12.399 14.53616 19.67230 
1 1 1  -59    9   11 o  261.231   14.088 28223.22  2977.17 29852.08  4414.44 26864.24  4032.19  265.961   20.603  252.587   19.819 13.37387 28.58810 
1 1 1  -59    9   12 o  199.048   12.109 16388.46  1947.83 15411.74  2973.54 17122.58  2577.93  190.212   19.530  202.171   15.831 -11.95847 25.14025 
1 1 1  -59    9   13 o  152.369   10.443  9608.52  1284.18 10369.37  2099.91  9154.00  1623.04  156.023   16.843  147.697   13.689 8.326111 21.70441 
1 1 1  -59    9   14 o  358.288   19.259 55622.23  5582.15 57218.59  8105.38 54181.91  7699.01  350.267   28.753  341.987   27.971 8.279816 40.11364 
1 1 1  -59    9   15 o  151.148   10.717  9549.00  1306.75 11190.51  2192.24  8644.31  1627.48  160.296   17.108  142.195   14.289 18.10114 22.29021 
1 1 1  -59    9   16 o   63.776   11.293  1752.68  563.403  1550.25  1410.21  1791.13  614.581   60.878   22.099   64.197   12.237 -3.319057 25.26049 
1 1 1  -59    9   17 o  160.585   9.3314 10799.93  1211.47 10434.02  2524.97 10909.35  1380.78  148.594   21.557  160.666   10.645 -12.07121 24.04158 
1 1 1  -59    9   18 o   67.583   9.9409  1963.87  529.213  970.843  1603.10  2085.32  560.643   54.431   22.437   69.569   10.231 -15.13795 24.65967 
1 1 1  -59    9   19 o  113.415   9.3853  5487.88  856.524  6088.65  2107.37  5369.00  937.449  105.451   24.994  111.519   10.476 -6.067719 27.10031 
1 1 1  -59    9   20 o   61.652   12.037  1732.70  580.966  2557.44  1855.43  1643.06  611.727   65.484   25.031   59.471   13.028 6.013138 28.21841 
1 1 1  -59    9   21 o   54.228   11.591  1370.87  494.901 -1503.7340  1941.13  1570.72  511.814   39.106   19.041   58.380   11.205 -19.27470 22.09263 
1 1 1  -59    9   22 o   70.470   13.662  2500.67  753.528  4400.80  2292.66  2270.55  797.853   65.712   26.930   65.370   15.302 0.3424759 30.97383 
1 1 1  -59    9   23 o   67.415   15.049  2570.27  802.899  909.960  2489.74  2762.98  848.214   41.952   20.659   69.445   15.442 -27.49286 25.79227 
1 1 1  -59   11    1 o  365.209   30.982 56242.00  9100.74   0.0000   0.0000 56242.00  9100.74  ?   ?   365.209   30.982 0.000000 30.98224 
1 1 1  -59   11    2 o  251.968   26.635 26673.89  5366.62   0.0000   0.0000 26673.89  5366.62  ?   ?   251.968   26.635 0.000000 26.63488 
1 1 1  -59   11    3 o  144.979   28.008  9048.34  3177.67   0.0000   0.0000  9048.34  3177.67  ?   ?   144.979   28.008 0.000000 28.00778 
1 1 1  -59   11    5 o   29.157   11.801  143.650  433.645  143.650  433.645   0.0000   0.0000   29.157   11.801  ?   ?  0.000000 11.80066 
1 1 1  -59   11    6 o  129.923   15.293  7015.28  1582.45  7015.28  1582.45   0.0000   0.0000  129.923   15.293  ?   ?  0.000000 15.29330 
1 1 1  -59   11    7 f  214.377   12.150 18849.09  2106.19 18991.05  3193.82 18739.85  2801.73  213.749   18.587  212.886   16.333 0.8630829 24.74370 
1 1 1  -59   11    8 o  136.439   12.155  7676.88  1332.46   0.0000   0.0000  7676.88  1332.46  ?   ?   136.439   12.155 0.000000 12.15487 
1 1 1  -59   11    9 o  287.675   14.875 34152.00  3462.77 37776.59  5106.46 31066.37  4711.54  300.200   21.083  271.923   21.515 28.27679 30.12283 
1 1 1  -59   11   10 o  281.730   12.554 32609.54  2871.91 27523.88  5269.26 34758.71  3425.40  252.818   26.041  289.916   14.598 -37.09711 29.85382 
1 1 1  -59   11   11 o  170.746   8.7238 11953.31  1205.43 10368.32  2403.78 12485.80  1393.28  155.942   19.404  174.278   9.8866 -18.33649 21.77744 
1 1 1  -59   11   12 o  139.032   8.1699  7939.28  918.246  6364.49  2003.11  8358.25  1033.20  120.365   21.274  142.499   8.9755 -22.13369 23.08990 
1 1 1  -59   11   13 o  186.923   9.1788 14373.96  1393.11 16050.14  2751.84 13796.34  1615.41  193.403   17.721  182.310   10.964 11.09354 20.83794 
1 1 1  -59   11   14 o  123.963   8.2301  6347.78  823.681  7506.77  1818.20  6048.50  923.928  131.167   17.509  120.643   9.5089 10.52335 19.92442 
1 1 1  -59   11   15 o   56.026   10.790  1350.57  473.060 -1207.3740  1314.31  1731.27  507.042   36.536   17.199   63.802   10.126 -27.26580 19.95840 
1 1 1  -59   11   16 o   33.241   11.998  401.456  414.841  1659.77  1343.74  268.894  436.146   61.495   21.659   30.972   12.056 30.52304 24.78832 
1 1 1  -59   11   17 o   97.336   9.3807  3999.47  732.207  2017.92  1809.49  4387.46  800.688   66.219   24.854  101.809   9.8072 -35.58998 26.71875 
1 1 1  -59   11   18 o   23.972   11.001 -299.0484  487.167  1336.03  1510.51 -488.8710  514.669   56.659   22.324   22.961   10.794 33.69865 24.79666 
1 1 1  -59   11   19 o  128.079   10.387  7097.11  1070.87  5334.15  2460.08  7509.26  1189.47   90.974   29.301  131.048   11.289 -40.07416 31.40032 
1 1 1  -59   11   20 o   58.073   13.301  1591.76  613.718  3188.53  2025.78  1430.40  643.982   69.207   26.226   54.432   14.362 14.77532 29.90086 
1 1 1  -59   11   21 o   72.867   14.167  2618.83  807.989  2405.95  2295.13  2648.94  863.251   57.252   25.258   72.343   15.180 -15.09093 29.46913 
1 1 1  -59   11   22 f   51.462   16.653  1551.95  793.950  3482.39  2400.78  1314.91  841.285   56.126   25.226   47.146   17.075 8.979572 30.46155 
1 1 1  -59   13    5 o  425.915   22.691 75565.34  7818.83 59943.38 10423.03 95669.00 11823.98  372.764   34.841  474.412   30.863 -101.6482 46.54466 
1 1 1  -59   13    6 o  266.693   16.514 29373.69  3558.39 21753.05  5391.36 35255.79  4736.62  224.662   30.330  291.109   20.163 -66.44684 36.42082 
1 1 1  -59   13    7 o  189.277   12.541 14734.20  1916.51 10945.37  3009.47 17319.03  2485.72  160.098   23.881  204.723   15.059 -44.62547 28.23293 
1 1 1  -59   13    8 f  144.227   12.934  8601.51  1498.54   0.0000   0.0000  8601.51  1498.54  ?   ?   144.227   12.934 0.000000 12.93371 
1 1 1  -59   13    9 o  105.126   9.8245  4558.24  828.887  3608.11  1570.67  4924.98  975.835   90.925   21.595  109.068   11.177 -18.14301 24.31635 
1 1 1  -59   13   10 o  144.633   7.9351  8568.43  928.312  8801.83  2103.53  8511.99  1034.50  143.895   18.427  143.992   8.8917 -0.9652710E-01 20.46025 
1 1 1  -59   13   11 o  192.435   9.3261 15189.80  1457.21 16262.26  2988.19 14855.19  1669.13  195.135   19.105  189.654   10.885 5.481018 21.98791 
1 1 1  -59   13   12 o  257.897   11.494 27533.00  2406.81 29001.60  4569.67 26969.20  2831.36  257.359   22.082  253.829   13.789 3.529648 26.03373 
1 1 1  -59   13   13 o  141.345   8.6691  8251.54  990.120  8065.68  2279.78  8294.75  1099.20  134.047   21.686  141.436   9.6288 -7.388580 23.72792 
1 1 1  -59   13   14 o  116.515   8.7086  5632.91  817.934  6434.86  2064.63  5483.62  890.821  118.174   22.335  114.668   9.6576 3.505775 24.33393 
1 1 1  -59   13   15 o  111.966   8.9977  5230.14  811.093  6038.08  1980.18  5067.26  889.101  113.317   22.315  109.822   10.083 3.495674 24.48776 
1 1 1  -59   13   16 o   78.421   9.6432  2606.19  601.096  2020.85  1805.32  2679.17  637.469   66.906   24.881   79.361   10.123 -12.45518 26.86180 
1 1 1  -59   13   17 o  103.128   9.8336  4517.95  813.454  3571.95  2140.01  4677.72  879.469   80.935   27.381  104.637   10.493 -23.70184 29.32266 
1 1 1  -59   13   18 o   87.116   10.096  3271.08  700.909  3444.40  2056.23  3248.29  745.561   77.302   26.819   86.423   10.865 -9.120979 28.93596 
1 1 1  -59   13   19 o   89.901   11.143  3574.90  795.938  3165.66  2254.89  3633.15  850.698   70.414   27.412   90.124   11.917 -19.71040 29.89065 
1 1 1  -59   13   20 o   22.687   10.589 -353.9956  480.584 -3375.9641  2081.81 -183.8866  493.925   35.581   17.753   24.801   11.265 10.77942 21.02573 
1 1 1  -59   13   21 o   67.461   16.778  2488.33  915.174 -1423.2990  2574.18  3054.27  979.143   41.726   20.633   75.498   16.438 -33.77253 26.38097 
1 1 1  -59   13   22 o   48.404   16.429  1424.68  770.443  3133.01  2780.90  1282.65  801.830   49.916   23.925   45.781   16.657 4.135361 29.15179 
1 1 1  -59   15    2 o   93.262   29.818  3622.73  2551.31   0.0000   0.0000  3622.73  2551.31  ?   ?    93.262   29.818 0.000000 29.81847 
1 1 1  -59   15    3 o  444.565   38.345 86273.15 13706.03   0.0000   0.0000 86273.15 13706.03  ?   ?   444.565   38.345 0.000000 38.34491 
1 1 1  -59   15    4 o  286.687   30.696 35275.08  7034.35   0.0000   0.0000 35275.08  7034.35  ?   ?   286.687   30.696 0.000000 30.69595 
1 1 1  -59   15    5 o  362.707   18.008 54350.11  5303.58 34893.04  9374.99 63507.83  6431.70  277.277   43.036  390.650   20.347 -113.3728 47.60345 
1 1 1  -59   15    6 o  142.475   12.226  8374.87  1400.67  2316.89  2487.18 11188.43  1695.01   80.203   29.312  164.718   12.773 -84.51526 31.97418 
1 1 1  -59   15    7 o  115.206   9.9582  5464.79  922.361  5421.37  1705.46  5482.74  1096.57  112.644   19.343  115.052   11.911 -2.407501 22.71620 
1 1 1  -59   15    8 o  210.333   17.146 18502.88  2902.83   0.0000   0.0000 18502.88  2902.83  ?   ?   210.333   17.146 0.000000 17.14640 
1 1 1  -59   15    9 o  157.087   11.344 10195.89  1437.14 10598.99  2407.35  9972.68  1791.37  157.706   19.196  154.516   14.446 3.189987 24.02418 
1 1 1  -59   15   10 o  148.305   8.6206  9038.77  1033.60  7409.86  2391.13  9413.07  1146.21  129.149   23.674  151.188   9.3834 -22.03879 25.46622 
1 1 1  -59   15   11 o  265.085   12.441 29175.98  2677.86 25000.86  5140.11 30731.29  3137.23  234.406   27.530  270.742   14.322 -36.33534 31.03289 
1 1 1  -59   15   12 o  165.905   9.0741 11368.76  1217.74 12569.68  2740.66 11073.36  1359.28  168.933   20.393  163.327   10.303 5.606079 22.84760 
1 1 1  -59   15   13 o   88.822   8.3907  3277.72  597.980  4446.03  1752.66  3123.80  636.151   97.921   22.514   86.493   9.1994 11.42841 24.32108 
1 1 1  -59   15   14 o   67.562   9.7571  1933.28  519.744   15.495  1892.04  2089.81  540.539   52.410   23.035   70.300   9.7305 -17.89068 25.00567 
1 1 1  -59   15   15 o   30.911   11.866  287.522  418.090 -443.9226  1644.19  338.086  432.299   45.718   20.681   32.217   12.137 13.50129 23.97921 
1 1 1  -59   15   16 o  145.201   9.5360  8876.12  1118.04  9938.56  2761.49  8667.82  1222.73  140.269   25.171  142.876   10.616 -2.606766 27.31814 
1 1 1  -59   15   17 o   81.691   10.877  2893.37  703.536  1236.45  2184.56  3085.10  743.128   59.805   25.509   84.269   11.133 -24.46343 27.83300 
1 1 1  -59   15   18 o   36.176   12.843  532.243  473.375  1128.04  2078.36  499.644  486.152   56.418   24.480   35.668   12.971 20.74988 27.70359 
1 1 1  -59   15   19 o   65.726   13.392  2028.51  690.428 -176.3415  2488.59  2212.37  718.640   49.712   23.482   68.738   13.357 -19.02554 27.01517 
1 1 1  -59   15   20 o   34.117   14.710  232.728  740.982 -1891.5341  2550.74  428.514  774.376   41.945   20.704   36.826   15.421 5.119591 25.81595 
1 1 1  -59   15   21 o   25.067   11.754 -346.2962  603.486  1650.39  2287.76 -495.6264  625.646   48.514   22.791   24.383   11.592 24.13164 25.57014 
1 1 1  -59   17    1 o  228.891   27.392 22432.92  4989.68   0.0000   0.0000 22432.92  4989.68  ?   ?   228.891   27.392 0.000000 27.39179 
1 1 1  -59   17    2 f  421.686   37.278 78391.45 12632.19   0.0000   0.0000 78391.45 12632.19  ?   ?   421.686   37.278 0.000000 37.27758 
1 1 1  -59   17    3 o  353.826   34.096 54764.17  9674.39   0.0000   0.0000 54764.17  9674.39  ?   ?   353.826   34.096 0.000000 34.09611 
1 1 1  -59   17    4 o  189.808   12.145 14824.18  1861.91   0.0000   0.0000 14824.18  1861.91  ?   ?   189.808   12.145 0.000000 12.14473 
1 1 1  -59   17    5 o  273.582   13.519 30781.11  3003.18 24053.40  5718.52 33343.27  3529.01  234.037   30.844  283.816   15.371 -49.77942 34.46196 
1 1 1  -59   17    6 o  369.366   17.074 56683.00  5120.77 44712.12  8997.49 62418.26  6227.80  314.649   35.858  385.528   19.963 -70.87900 41.04040 
1 1 1  -59   17    7 o  197.676   14.086 16231.71  2246.13 12595.35  3738.05 18286.59  2809.99  168.177   28.385  208.940   16.703 -40.76347 32.93430 
1 1 1  -59   17    8 o  110.696   13.029  5131.46  1148.65   0.0000   0.0000  5131.46  1148.65  ?   ?   110.696   13.029 0.000000 13.02910 
1 1 1  -59   17    9 o  232.724   14.950 22698.97  2810.08 21614.93  4514.83 23384.49  3590.28  220.542   25.694  233.973   19.064 -13.43082 31.99402 
1 1 1  -59   17   10 f  268.265   16.292 30479.84  3532.03 29741.91  5469.81 31007.59  4625.70  256.365   26.667  266.516   21.560 -10.15097 34.29258 
1 1 1  -59   17   11 o  111.083   9.9823  5136.07  890.744  4323.33  1944.49  5351.90  1002.07   96.366   24.728  113.103   11.053 -16.73689 27.08583 
1 1 1  -59   17   12 o  219.468   11.242 20112.21  1996.65 17431.49  4188.17 20900.67  2271.38  191.535   27.738  222.956   12.598 -31.42081 30.46454 
1 1 1  -59   17   13 o   69.881   9.5417  2061.09  527.260  3235.73  1887.00  1961.62  549.132   81.995   25.572   67.942   10.275 14.05262 27.55880 
1 1 1  -59   17   14 o   49.063   11.775  1054.79  463.129  2435.07  1776.40  954.132  479.720   71.892   24.928   46.627   12.441 25.26485 27.85987 
1 1 1  -59   17   15 o  151.898   9.9785  9725.54  1223.87  5044.59  3031.32 10637.17  1337.74   93.032   32.546  158.608   10.446 -65.57590 34.18161 
1 1 1  -59   17   16 o   90.650   9.6483  3499.93  699.250  6337.23  2328.91  3218.81  733.073  108.179   26.681   86.451   10.670 21.72738 28.73492 
1 1 1  -59   17   17 o   35.703   13.303  473.473  516.536  974.767  2144.23  442.590  532.209   56.555   24.697   35.371   13.433 21.18416 28.11392 
1 1 1  -59   17   18 o   33.219   12.873  376.852  495.561  -3.6085  2306.30  395.268  507.413   50.220   23.359   33.737   13.040 16.48382 26.75204 
1 1 1  -59   17   19 o   58.974   17.101  1831.26  866.636  3002.38  2727.60  1699.76  913.997   62.346   27.519   56.316   17.831 6.030151 32.79099 
1 1 1  -59   17   20 o   32.497   14.026  230.039  675.153 -988.8146  2817.55  304.289  695.413   43.598   21.564   33.657   14.375 9.941540 25.91638 
1 1 1  -59   17   21 o   29.090   13.026   79.691  633.946 -5708.3169  3101.53  332.048  647.619   34.414   17.623   32.111   13.798 2.302788 22.38182 
1 1 1  -59   19    1 o  262.509   29.853 30208.23  6249.95   0.0000   0.0000 30208.23  6249.95  ?   ?   262.509   29.853 0.000000 29.85297 
1 1 1  -59   19    2 o   85.801   31.060  2830.49  2783.15   0.0000   0.0000  2830.49  2783.15  ?   ?    85.801   31.060 0.000000 31.06030 
1 1 1  -59   19    3 o  259.297   32.218 29982.48  6637.03   0.0000   0.0000 29982.48  6637.03  ?   ?   259.297   32.218 0.000000 32.21819 
1 1 1  -59   19    4 o   40.826   11.051  706.725  375.288   0.0000   0.0000  706.725  375.288  ?   ?    40.826   11.051 0.000000 11.05095 
1 1 1  -59   19    5 o  126.001   11.713  6585.64  1184.59  2784.06  2883.99  7357.19  1299.26   85.261   31.499  133.131   12.153 -47.87060 33.76238 
1 1 1  -59   19    6 o   49.720   11.411  1057.65  450.893  6139.57  1550.95  588.479  471.248  120.253   16.305   38.685   12.847 81.56855 20.75765 
1 1 1  -59   19    7 o  213.323   15.174 19082.52  2611.16 16129.30  4476.80 20605.21  3214.60  187.344   30.478  220.239   18.137 -32.89494 35.46623 
1 1 1  -59   19    8 o   34.221   12.627  387.873  463.131 -881.9421  1570.54  508.809  484.683   43.502   19.886   37.069   13.012 6.432880 23.76447 
1 1 1  -59   19    9 o   92.276   12.215  3595.31  892.745  2761.37  2201.69  3759.41  976.635   79.681   27.745   94.119   13.138 -14.43831 30.69838 
1 1 1  -59   19   10 o  142.334   13.299  8554.52  1519.11  6690.98  3123.44  9131.91  1738.59  115.777   32.105  146.429   14.827 -30.65162 35.36367 
1 1 1  -59   19   11 o  115.816   10.681  5619.09  993.152  3124.28  2572.66  6056.00  1076.61   82.546   29.866  120.101   11.168 -37.55498 31.88543 
1 1 1  -59   19   12 o   71.799   8.7262  2161.03  498.269  1141.26  1899.62  2236.38  516.348   60.960   24.689   73.014   8.8934 -12.05416 26.24224 
1 1 1  -59   19   13 o   41.177   11.535  735.348  401.078  3230.45  2033.56  634.362  409.114   80.697   26.682   38.652   11.883 42.04522 29.20820 
1 1 1  -59   19   14 o  134.599   9.3587  7604.71  1016.45  6628.38  2829.97  7749.32  1089.13  109.186   30.660  135.585   9.9628 -26.39960 32.23843 
1 1 1  -59   19   15 o   19.379   9.1843 -437.2822  386.662 -1417.5250  1871.24 -393.5614  395.191   42.668   20.217   20.102   9.4530 22.56591 22.31750 
1 1 1  -59   19   16 o   98.713   9.7545  4174.97  771.606  6083.01  2608.09  3991.95  807.766   99.231   29.900   96.100   10.524 3.130821 31.69811 
1 1 1  -59   19   17 o   64.220   13.379  1909.29  675.025  2813.39  2992.41  1860.82  692.884   67.400   29.309   63.087   13.901 4.312584 32.43861 
1 1 1  -59   19   18 o   56.204   18.832  1694.91  1012.19  1964.83  2939.48  1658.60  1078.13   58.800   26.999   55.421   19.409 3.378952 33.25127 
1 1 1  -59   19   19 o  110.328   18.232  6647.54  1576.22  3249.85  3865.34  7325.22  1726.27   57.144   27.596  114.150   19.314 -57.00604 33.68333 
1 1 1  -59   19   20 o   61.961   19.978  2608.75  1143.39 -390.4441  3715.19  2922.54  1201.71   44.215   22.287   65.261   20.416 -21.04585 30.22413 
1 1 1  -59   21    1 o  140.731   32.542  9218.62  3644.35   0.0000   0.0000  9218.62  3644.35  ?   ?   140.731   32.542 0.000000 32.54212 
1 1 1  -59   21    2 o  163.390   30.970 12234.66  3958.32   0.0000   0.0000 12234.66  3958.32  ?   ?   163.390   30.970 0.000000 30.96991 
1 1 1  -59   21    3 o   46.062   21.678 -2008.3400  2085.51   0.0000   0.0000 -2008.3400  2085.51  ?   ?    46.062   21.678 0.000000 21.67767 
1 1 1  -59   21    4 o   26.628   11.128   57.960  402.023   0.0000   0.0000   57.960  402.023  ?   ?    26.628   11.128 0.000000 11.12784 
1 1 1  -59   21    5 o   59.859   13.876  1547.95  661.265  1363.76  2317.42  1564.28  689.949   68.915   27.492   60.119   14.336 8.795940 31.00566 
1 1 1  -59   21    6 o   65.775   14.156  1870.79  733.635 -1154.1570  2278.65  2220.61  774.895   52.328   23.933   71.888   13.777 -19.56008 27.61475 
1 1 1  -59   21    7 o  194.707   16.912 16170.93  2647.09   0.0000   0.0000 16170.93  2647.09  ?   ?   194.707   16.912 0.000000 16.91158 
1 1 1  -59   21    8 o   56.542   15.029  1395.47  701.853  1263.94  2021.73  1413.50  748.398   64.484   25.693   56.906   15.690 7.577991 30.10528 
1 1 1  -59   21    9 o  163.238   14.688 11345.39  1925.90  8048.15  3680.01 12589.09  2260.12  124.341   34.980  171.015   16.480 -46.67390 38.66766 
1 1 1  -59   21   10 o   87.308   15.381  3335.11  1050.54  3217.34  2452.69  3361.57  1162.58   82.796   29.251   86.993   17.069 -4.196823 33.86668 
1 1 1  -59   21   11 o   55.201   16.765  1343.91  817.581  1601.67  2439.91  1311.31  867.748   68.451   27.886   54.801   17.376 13.65078 32.85635 
1 1 1  -59   21   12 o   78.494   8.6545  2584.13  542.416  1878.19  2932.08  2609.14  551.943   72.000   30.067   78.843   8.7703 -6.842979 31.32017 
1 1 1  -59   21   13 o   57.791   10.194  1440.50  460.884  2570.78  2890.34  1411.01  466.857   74.639   30.372   57.103   10.454 17.53600 32.12102 
1 1 1  -59   21   14 f   48.304   12.891  1045.71  515.030  1913.38  2851.57  1016.45  523.641   68.345   29.148   47.623   13.122 20.72207 31.96554 
1 1 1  -59   21   15 o   49.336   12.347  1099.61  493.416  914.109  3006.20  1104.75  500.199   61.584   27.901   49.419   12.467 12.16435 30.55966 
1 1 1  -59   21   16 o  110.470   10.059  5287.89  892.359  4795.20  3358.32  5325.32  925.635   78.548   32.437  110.605   10.430 -32.05618 34.07258 
1 1 1  -59   21   17 o   49.191   18.552  1178.38  1010.73 -2551.5149  3240.40  1580.38  1063.81   46.856   23.166   54.675   19.270 -7.818592 30.13310 
1 1 1  -59   21   18 f   55.017   18.435  1713.50  969.984 -1222.7650  3619.02  1940.76  1006.82   47.979   23.853   58.189   18.745 -10.21067 30.33694 
1 1 1  -59   21   19 o   87.298   21.256  4965.14  1492.56 -475.0924  3875.32  5912.68  1617.33   45.522   22.922   95.644   21.365 -50.12189 31.33511 
1 1 1  -59   23    1 o   67.807   28.747  642.918  2744.64   0.0000   0.0000  642.918  2744.64  ?   ?    67.807   28.747 0.000000 28.74650 
1 1 1  -59   23    2 o  204.438   35.252 20107.41  5640.34   0.0000   0.0000 20107.41  5640.34  ?   ?   204.438   35.252 0.000000 35.25188 
1 1 1  -59   23    3 o  248.954   17.680 26385.94  3550.61   0.0000   0.0000 26385.94  3550.61  ?   ?   248.954   17.680 0.000000 17.67990 
1 1 1  -59   23    4 o  171.448   14.906 12412.13  2054.36   0.0000   0.0000 12412.13  2054.36  ?   ?   171.448   14.906 0.000000 14.90554 
1 1 1  -59   23    5 o  254.909   18.729 27980.13  3849.42   0.0000   0.0000 27980.13  3849.42  ?   ?   254.909   18.729 0.000000 18.72939 
1 1 1  -59   23    6 o  219.002   17.787 20647.33  3135.66  9081.40  6762.10 23815.60  3539.18  124.743   47.761  234.573   18.738 -109.8300 51.30485 
1 1 1  -59   23    7 o  139.170   14.012  8227.26  1561.84  6456.38  3822.20  8582.22  1711.23  110.964   36.575  141.669   15.109 -30.70489 39.57278 
1 1 1  -59   23    8 o   74.065   16.402  2434.18  960.357  4007.40  2975.61  2251.25  1014.65   90.732   32.201   70.852   17.691 19.88004 36.74060 
1 1 1  -59   23    9 o   82.275   16.577  3012.20  1069.13  603.865  2644.75  3482.64  1168.89   63.932   27.677   88.489   16.885 -24.55627 32.42088 
1 1 1  -59   23   10 o  101.458   34.338  5704.18  3365.64  5704.18  3365.64   0.0000   0.0000  101.458   34.338  ?   ?  0.000000 34.33803 
1 1 1  -59   23   11 o  105.404   16.912  4987.94  1398.44  1148.88  3373.01  5784.82  1536.74   69.927   30.744  113.463   17.221 -43.53572 35.23911 
1 1 1  -59   23   12 o  166.317   16.834 12428.12  2241.98  7437.05  4593.49 13988.91  2568.72  102.993   39.380  174.982   18.353 -71.98893 43.44697 
1 1 1  -59   23   13 o   20.526   9.1197 -94.0702  304.396  3664.72  2955.18 -134.3781  306.023   79.635   31.273   19.978   8.9902 59.65628 32.53971 
1 1 1  -59   23   14 o   46.633   11.995  979.437  456.779  1925.12  2914.23  955.618  462.496   66.026   28.814   46.034   12.183 19.99168 31.28352 
1 1 1  -59   23   15 o   49.759   18.987  1101.87  1066.52  2914.20  3586.49  926.060  1117.05   68.467   30.796   47.989   19.105 20.47791 36.24126 
1 1 1  -59   23   16 o   58.546   20.386  1887.47  1188.63  4526.94  3738.10  1590.57  1253.70   69.854   31.429   54.686   20.653 15.16775 37.60734 
1 1 1  -59   23   17 o   57.841   20.814  2045.24  1247.34  1783.03  4521.85  2066.83  1297.69   55.576   27.457   57.785   21.165 -2.208748 34.66719 
1 1 1  -59   23   18 o   34.253   15.388  159.024  892.269 -2701.9661  4068.65  303.572  914.532   43.547   22.104   35.784   15.858 7.762730 27.20354 
1 1 1  -59   25    1 o  229.066   14.726 22139.54  2724.44   0.0000   0.0000 22139.54  2724.44  ?   ?   229.066   14.726 0.000000 14.72604 
1 1 1  -59   25    2 o  121.608   14.781  6305.22  1429.54   0.0000   0.0000  6305.22  1429.54  ?   ?   121.608   14.781 0.000000 14.78144 
1 1 1  -59   25    3 o   72.744   14.526  2299.41  827.963   0.0000   0.0000  2299.41  827.963  ?   ?    72.744   14.526 0.000000 14.52625 
1 1 1  -59   25    4 o  161.570   15.550 11160.46  2014.76   0.0000   0.0000 11160.46  2014.76  ?   ?   161.570   15.550 0.000000 15.54966 
1 1 1  -59   25    5 o  182.565   16.627 14368.59  2437.68   0.0000   0.0000 14368.59  2437.68  ?   ?   182.565   16.627 0.000000 16.62673 
1 1 1  -59   25    6 o   35.213   14.541  191.559  674.906   0.0000   0.0000  191.559  674.906  ?   ?    35.213   14.541 0.000000 14.54133 
1 1 1  -59   25    7 o  194.122   16.661 16382.30  2600.67 13598.34  6075.76 17006.79  2877.61  144.575   45.993  196.548   18.239 -51.97250 49.47787 
1 1 1  -59   25    8 o  170.142   16.417 12656.92  2239.86  7644.62  5427.70 13685.71  2459.01  109.550   42.562  176.199   17.416 -66.64863 45.98764 
1 1 1  -59   25    9 o  195.359   18.708 17159.19  2931.23 10015.08  6185.89 19227.83  3328.66  116.160   45.352  205.221   20.240 -89.06045 49.66359 
1 1 1  -59   25   10 o   91.116   17.205  3783.75  1226.23  4888.96  3302.53  3607.02  1320.64   91.892   33.747   87.875   19.058 4.016983 38.75658 
1 1 1  -59   25   11 o  144.958   17.548  9597.42  2023.38  6360.55  4471.65 10430.80  2268.95   95.445   38.152  149.705   19.101 -54.26070 42.66614 
1 1 1  -59   25   12 o   63.346   20.600  1962.84  1214.02 -6323.1558  3891.72  2856.08  1277.78   48.660   24.278   75.897   20.327 -27.23690 31.66435 
1 1 1  -59   25   13 o  139.008   10.181  8300.74  1141.15  2228.13  4945.73  8642.22  1172.79   70.745   33.321  141.794   10.256 -71.04883 34.86378 
1 1 1  -59   25   14 o  127.735   19.080  8186.69  1918.29  6413.97  4743.90  8533.22  2097.42   79.431   35.597  128.151   20.876 -48.71926 41.26679 
1 1 1  -59   25   15 o   67.644   22.838  2777.10  1488.81  3989.50  4744.13  2644.66  1568.02   65.506   31.358   65.457   23.360 0.4938507E-01 39.10218 
1 1 1  -59   25   16 o   26.357   12.977 -1532.0291  981.369  670.223  4819.32 -1627.2980  1002.37   53.614   26.791   26.333   12.994 27.28090 29.77614 
1 1 1  -59   25   17 o   50.331   20.711  1706.17  1362.95  7689.34  5161.42  1257.69  1413.11   57.965   28.761   46.396   20.158 11.56837 35.12151 
1 1 1  -59   27    1 o  151.139   16.204  9863.91  1957.59   0.0000   0.0000  9863.91  1957.59  ?   ?   151.139   16.204 0.000000 16.20443 
1 1 1  -59   27    2 o  215.409   18.082 20247.19  3133.32   0.0000   0.0000 20247.19  3133.32  ?   ?   215.409   18.082 0.000000 18.08171 
1 1 1  -59   27    3 o  107.438   16.312  5050.53  1378.23   0.0000   0.0000  5050.53  1378.23  ?   ?   107.438   16.312 0.000000 16.31151 
1 1 1  -59   27    4 o  185.631   17.653 15104.34  2628.68   0.0000   0.0000 15104.34  2628.68  ?   ?   185.631   17.653 0.000000 17.65255 
1 1 1  -59   27    5 o   73.050   17.781  2420.12  1044.75   0.0000   0.0000  2420.12  1044.75  ?   ?    73.050   17.781 0.000000 17.78127 
1 1 1  -59   27    6 o  113.147   17.132  5698.45  1524.71  213.330  5605.62  6136.67  1584.45   78.967   36.623  117.499   17.110 -38.53155 40.42276 
1 1 1  -59   27    7 o  179.331   16.960 14245.55  2440.20 14042.51  6874.12 14274.82  2610.20  132.089   48.661  178.337   18.284 -46.24805 51.98298 
1 1 1  -59   27    8 o  187.648   17.812 15857.17  2681.39 10388.14  6978.44 16804.48  2904.35  110.469   46.279  192.082   18.865 -81.61279 49.97690 
1 1 1  -59   27    9 o  125.878   18.386  7312.31  1823.82 -1933.7910  5702.62  8365.80  1924.92   69.351   33.498  135.068   18.000 -65.71739 38.02744 
1 1 1  -59   27   10 o   61.541   20.620  1812.51  1213.50  7189.24  5268.57  1511.29  1247.02   94.257   39.887   57.655   20.803 36.60219 44.98571 
1 1 1  -59   27   11 o   35.961   16.287 -293.2968  1023.46 -3002.2261  4257.57 -127.1615  1054.37   56.563   27.682   37.812   16.875 18.75075 32.41980 
1 1 1  -59   27   12 o  136.640   19.970  9343.65  2150.25  7948.90  5289.28  9619.79  2353.51   86.663   38.284  135.968   22.075 -49.30584 44.19185 
1 1 1  -59   27   13 o   47.790   19.984  844.899  1297.76 -888.9470  4596.94  995.052  1352.79   57.385   28.222   49.564   20.537 7.820572 34.90321 
1 1 1  -59   27   14 o   37.480   17.360 -289.8228  1253.88 -6019.6670  5334.33   45.280  1290.02   49.358   25.079   40.080   18.205 9.277409 30.99028 
1 1 1  -59   27   15 o  100.549   24.055  6630.25  1937.54  4284.38  5859.87  6918.19  2053.01   57.479   28.840  100.580   25.193 -43.10134 38.29412 
1 1 1  -59   29    1 o  121.372   17.913  6584.18  1712.25   0.0000   0.0000  6584.18  1712.25  ?   ?   121.372   17.913 0.000000 17.91277 
1 1 1  -59   29    2 o  143.388   17.794  9160.36  2027.11   0.0000   0.0000  9160.36  2027.11  ?   ?   143.388   17.794 0.000000 17.79354 
1 1 1  -59   29    3 o  169.350   18.199 12832.40  2463.24   0.0000   0.0000 12832.40  2463.24  ?   ?   169.350   18.199 0.000000 18.19918 
1 1 1  -59   29    4 o  178.101   18.573 14302.77  2646.32   0.0000   0.0000 14302.77  2646.32  ?   ?   178.101   18.573 0.000000 18.57263 
1 1 1  -59   29    5 o   94.410   18.500  4111.59  1367.47   0.0000   0.0000  4111.59  1367.47  ?   ?    94.410   18.500 0.000000 18.50016 
1 1 1  -59   29    6 o   51.338   19.205  1038.94  1078.72   0.0000   0.0000  1038.94  1078.72  ?   ?    51.338   19.205 0.000000 19.20523 
1 1 1  -59   29    7 o  129.530   19.213  7854.92  1959.48  1861.79  8051.19  8232.26  2020.22   81.962   39.641  132.529   19.344 -50.56679 44.10836 
1 1 1  -59   29    8 o   54.335   26.954 -5628.6919  4522.81 -9070.8984  5381.55  2650.10  8345.89   54.180   27.247   80.629   39.307 -26.44858 47.82710 
1 1 1  -59   29    9 o   45.831   18.776  637.160  1114.05 -248.3761  5218.09  679.452  1140.34   66.747   32.191   46.563   19.027 20.18377 37.39352 
1 1 1  -59   29   10 o   46.446   19.340  659.794  1208.24 -576.6275  5756.25  716.780  1235.78   64.896   31.848   47.268   19.611 17.62846 37.40162 
1 1 1  -59   29   11 o   51.556   20.740  1172.37  1330.72  1447.18  6438.58  1160.11  1360.08   65.819   32.562   51.583   20.891 14.23590 38.68793 
1 1 1  -59   29   12 o   72.920   22.847  3190.97  1504.34 -1233.9060  6964.59  3407.52  1540.71   59.039   29.850   75.241   23.048 -16.20214 37.71223 
1 1 1  -59   29   13 o   40.371   18.061  277.153  1215.58 -2280.2720  5423.48  412.423  1247.32   51.887   26.247   41.698   18.497 10.18957 32.10942 
1 1 1  -59   29   14 o   32.671   15.863 -1104.2900  1322.12  876.718  4461.59 -1294.9969  1384.30   50.772   25.431   32.643   15.935 18.12906 30.01077 
1 1 1  -59   31    1 o  119.542   20.544  6765.41  1922.21   0.0000   0.0000  6765.41  1922.21  ?   ?   119.542   20.544 0.000000 20.54389 
1 1 1  -59   31    2 o  155.864   19.705 11343.21  2438.12   0.0000   0.0000 11343.21  2438.12  ?   ?   155.864   19.705 0.000000 19.70539 
1 1 1  -59   31    3 o   98.556   20.441  4672.14  1582.14   0.0000   0.0000  4672.14  1582.14  ?   ?    98.556   20.441 0.000000 20.44107 
1 1 1  -59   31    4 o   68.487   21.060  2305.13  1285.02   0.0000   0.0000  2305.13  1285.02  ?   ?    68.487   21.060 0.000000 21.06021 
1 1 1  -59   31    5 o   82.912   21.196  3438.73  1432.44   0.0000   0.0000  3438.73  1432.44  ?   ?    82.912   21.196 0.000000 21.19604 
1 1 1  -59   31    6 o   83.694   20.993  3537.28  1424.13   0.0000   0.0000  3537.28  1424.13  ?   ?    83.694   20.993 0.000000 20.99284 
1 1 1  -59   31    7 o   71.631   35.998 -852.7588  9311.81   0.0000   0.0000 -852.7588  9311.81  ?   ?    71.631   35.998 0.000000 35.99782 
1 1 1  -59   31    8 o   85.067   22.194  3898.72  1549.14  1751.29  9267.63  3960.45  1571.25   70.908   35.672   85.590   22.362 -14.68266 42.10210 
1 1 1  -59   31    9 o   72.577   23.157  3044.52  1539.31  8595.64  9022.55  2878.10  1562.22   73.850   36.866   70.325   23.393 3.525452 43.66113 
1 1 1  -59   31   10 o   76.644   24.345  3684.77  1702.80  3009.95  8070.10  3716.22  1742.02   63.951   32.309   76.514   24.658 -12.56325 40.64370 
1 1 1  -59   31   11 o   67.543   24.314  3115.40  1702.18  7122.24  8671.52  2954.83  1735.95   62.578   31.814   65.557   24.395 -2.978657 40.09066 
1 1 1  -59   31   12 o   55.668   22.256  2088.91  1522.04  8992.94  8964.82  1884.00  1544.46   58.325   29.875   53.696   22.066 4.628563 37.14046 
1 1 1  -59   33    1 o   29.730   14.214 -1063.4670  968.362   0.0000   0.0000 -1063.4670  968.362  ?   ?    29.730   14.214 0.000000 14.21432 
1 1 1  -59   33    2 o   80.081   23.571  3478.88  1635.57   0.0000   0.0000  3478.88  1635.57  ?   ?    80.081   23.571 0.000000 23.57133 
1 1 1  -59   33    3 o   92.594   23.243  4611.47  1744.81   0.0000   0.0000  4611.47  1744.81  ?   ?    92.594   23.243 0.000000 23.24282 
1 1 1  -59   33    4 o  118.100   22.954  7414.51  2121.83   0.0000   0.0000  7414.51  2121.83  ?   ?   118.100   22.954 0.000000 22.95378 
1 1 1  -59   33    5 o  138.490   23.263 10363.60  2523.18   0.0000   0.0000 10363.60  2523.18  ?   ?   138.490   23.263 0.000000 23.26326 
1 1 1  -59   33    6 f  101.497   24.438  5951.94  1989.85   0.0000   0.0000  5951.94  1989.85  ?   ?   101.497   24.438 0.000000 24.43783 
1 1 1  -59   33    7 o   52.270   20.785  1337.47  1320.60   0.0000   0.0000  1337.47  1320.60  ?   ?    52.270   20.785 0.000000 20.78470 
1 1 1  -59   33    8 o   55.189   22.219  1705.44  1528.49 -3003.1150 13097.59  1770.45  1539.01   60.088   31.019   55.804   22.355 4.284027 38.23555 
1 1 1  -59   33    9 f   68.458   24.515  3295.73  1728.33 13386.94 13031.88  3115.06  1743.73   61.696   31.812   66.386   24.500 -4.690136 40.15246 
1 1 1  -58    0    1 o  113.620   21.547  5798.77  1779.67  5798.77  1779.67   0.0000   0.0000  113.620   21.547  113.620   21.547 0.000000 0.000000 
1 1 1  -58    0    2 o  115.296   22.244  5989.91  1858.90  5989.91  1858.90   0.0000   0.0000  115.296   22.244  115.296   22.244 0.000000 0.000000 
1 1 1  -58    0    3 o   50.178   26.026  1503.53  1372.20  1503.53  1372.20   0.0000   0.0000   50.178   26.026   50.178   26.026 0.000000 0.000000 
1 1 1  -58    0    6 o  218.545   17.159 19827.96  3001.74   0.0000   0.0000 19827.96  3001.74  218.545   17.159  218.545   17.159 -0.000000 0.000000 
1 1 1  -58    0    7 o  668.791   48.026 190675.91 25770.91   0.0000   0.0000 190675.91 25770.91  668.791   48.026  668.791   48.026 -0.000000 0.000000 
1 1 1  -58    0    8 o  292.438   22.076 35579.71  5173.37   0.0000   0.0000 35579.71  5173.37  292.438   22.076  292.438   22.076 -0.000000 0.000000 
1 1 1  -58    0    9 o  281.728   21.522 33040.14  4857.15 33040.14  4857.15   0.0000   0.0000  281.728   21.522  281.728   21.522 0.000000 0.000000 
1 1 1  -58    0   10 f  421.810   30.802 74665.38 10420.10   0.0000   0.0000 74665.38 10420.10  421.810   30.802  421.810   30.802 -0.000000 0.000000 
1 1 1  -58    0   11 o   12.464   9.1811 -1996.9760  665.456   0.0000   0.0000 -1996.9760  665.456   12.464   9.1811   12.464   9.1811 -0.000000 0.000000 
1 1 1  -58    0   12 o  455.664   33.490 87932.89 12237.01 87932.89 12237.01   0.0000   0.0000  455.664   33.490  455.664   33.490 0.000000 0.000000 
1 1 1  -58    0   13 o  367.880   27.738 57131.04  8177.34   0.0000   0.0000 57131.04  8177.34  367.880   27.738  367.880   27.738 -0.000000 0.000000 
1 1 1  -58    0   14 o   28.621   18.274   80.212  945.148   80.212  945.148   0.0000   0.0000   28.621   18.274   28.621   18.274 0.000000 0.000000 
1 1 1  -58    0   15 o   88.550   22.300  3789.69  1386.67   0.0000   0.0000  3789.69  1386.67   88.550   22.300   88.550   22.300 -0.000000 0.000000 
1 1 1  -58    0   16 o  137.227   10.177  7819.83  1119.65  5675.99  1929.06  8908.93  1374.94  109.119   24.998  146.113   11.765 0.000000 0.000000 
1 1 1  -58    0   17 o  121.659   9.6293  6162.44  937.503  5123.16  1622.13  6683.69  1148.80  104.984   21.532  126.181   11.428 0.000000 0.000000 
1 1 1  -58    0   18 o  136.522   10.271  7765.55  1123.73  5563.94  1909.24  8932.48  1390.00  107.023   25.302  145.987   11.909 0.000000 0.000000 
1 1 1  -58    0   19 o   32.171   13.748  606.382  366.365  1263.55  1229.78  542.378  383.791   44.962   24.247   29.935   14.060 0.000000 0.000000 
1 1 1  -58    0   20 o   20.577   12.129  202.897  345.866 -1662.3000  1307.14  343.315  358.649   23.011   16.351   24.120   13.067 0.000000 0.000000 
1 1 1  -58    0   21 o   23.808   13.043  333.108  361.372 -2039.2910  1527.61  473.739  371.929   24.308   17.344   27.748   13.727 0.000000 0.000000 
1 1 1  -58    0   22 o   36.075   15.923  791.391  490.099 -561.5027  1429.41  971.624  521.725   29.098   19.801   40.846   16.268 0.000000 0.000000 
1 1 1  -58    0   23 o   14.960   10.065 -131.2875  349.197 -116.5310  356.048 -503.7236  1788.72   15.309   10.259   32.447   22.101 -0.000000 0.000000 
1 1 1  -58    0   24 f   17.209   11.200  -2.9307  377.754   0.0000   0.0000  -2.9307  377.754   17.209   11.200   17.209   11.200 0.000000 0.000000 
1 1 1  -58    2    1 o  447.077   34.443 83972.63 12406.79 83972.63 12406.79   0.0000   0.0000  447.077   34.443  ?   ?  0.000000 34.44262 
1 1 1  -58    2    2 o  762.891   34.324 243370.80 21261.44 248863.59 25907.79 232041.30 37208.12  765.060   41.865  716.872   64.618 48.18866 76.99405 
1 1 1  -58    2    3 o  499.183   21.074 102357.10  8541.57 104414.50 10320.99 97884.83 15216.69  502.248   25.391  479.819   39.406 22.42914 46.87737 
1 1 1  -58    2    4 f  441.121   31.492 81568.10 11205.61 81568.10 11205.61   0.0000   0.0000  441.121   31.492  ?   ?  0.000000 31.49218 
1 1 1  -58    2    5 f  330.297   16.762 44775.31  4480.68 43638.40  6391.23 45874.18  6283.42  324.092   24.468  332.648   23.413 -8.556580 33.86467 
1 1 1  -58    2    6 o  563.019   40.576 136120.50 18424.88   0.0000   0.0000 136120.50 18424.88  ?   ?   563.019   40.576 0.000000 40.57550 
1 1 1  -58    2    7 o  100.859   8.3805  4168.50  680.095  3783.87  1025.90  4470.06  908.386   95.280   13.651  104.150   10.903 -8.870636 17.47064 
1 1 1  -58    2    8 f  370.478   18.705 56622.97  5608.61 58395.69  7978.51 54891.20  7885.85  373.307   26.494  361.639   27.052 11.66779 37.86449 
1 1 1  -58    2    9 o  311.266   16.072 39881.06  4048.11 43346.72  5771.16 36524.34  5679.73  322.592   22.167  295.384   23.886 27.20847 32.58701 
1 1 1  -58    2   10 o  173.482   10.938 12338.63  1532.85 12172.89  2218.74 12489.96  2120.17  171.327   16.139  173.771   15.179 -2.443390 22.15573 
1 1 1  -58    2   11 o  331.174   17.268 45404.09  4627.40 46675.17  6598.39 44173.96  6491.19  332.529   24.613  323.298   24.920 9.230865 35.02576 
1 1 1  -58    2   12 o  197.396   11.940 16032.66  1904.78 16987.89  2738.46 15137.34  2651.18  201.911   16.858  190.377   17.341 11.53410 24.18455 
1 1 1  -58    2   13 o  143.670   11.256  8525.11  1302.54  7997.21  1888.10  9004.49  1799.26  137.530   17.290  146.642   15.338 -9.112228 23.11284 
1 1 1  -58    2   14 o  144.532   8.7163  8589.72  1018.12  6809.29  1990.50  9220.56  1184.84  125.035   20.302  149.516   9.8141 -24.48003 22.55011 
1 1 1  -58    2   15 o  102.293   7.9260  4316.90  653.183  3623.61  1434.02  4498.40  733.716   89.949   20.136  104.256   8.7483 -14.30753 21.95459 
1 1 1  -58    2   16 f   70.545   8.2731  2076.26  464.889  3651.57  1213.68  1805.39  503.273   90.838   17.082   65.353   9.7852 25.48444 19.68622 
1 1 1  -58    2   17 o   59.997   9.6426  1531.79  453.834  1130.07  1185.33  1600.79  491.269   54.210   20.161   61.192   10.250 -6.982109 22.61687 
1 1 1  -58    2   18 o   88.564   8.2869  3282.52  588.993  2515.82  1378.57  3453.73  651.444   72.209   21.734   90.636   8.9697 -18.42709 23.51203 
1 1 1  -58    2   19 o   97.335   8.7634  3996.41  685.165 -579.9282  1719.12  4860.62  747.063   44.779   20.593  107.470   8.6341 -62.69046 22.32971 
1 1 1  -58    2   20 o   92.217   6.8053  3553.87  505.964  3511.33  700.371  3600.29  731.741   90.363   9.6971   91.336   10.032 -0.9731903 13.95266 
1 1 1  -58    2   21 o   21.420   8.7911   82.385  244.755   74.375  358.853   89.352  334.681   24.796   10.447   24.371   10.166 0.4251499 14.57676 
1 1 1  -58    2   22 o   77.864   7.1149  2593.76  444.853  2865.69  650.840  2355.33  609.434   79.771   10.288   71.902   10.770 7.869102 14.89435 
1 1 1  -58    2   23 o   35.970   9.9920  612.041  302.265  767.042  400.788  407.593  460.298   39.483   11.682   31.704   12.373 7.779051 17.01634 
1 1 1  -58    2   24 o   43.862   10.583  964.874  372.569  1269.47  534.705  677.448  519.412   47.833   13.290   35.626   13.327 12.20700 18.82128 
1 1 1  -58    4    1 o  536.948   23.728 118723.60 10345.14 117435.80 12541.85 121465.00 18298.58  531.367   29.181  533.359   42.609 -1.991821 51.64323 
1 1 1  -58    4    2 o  289.190   12.934 34101.24  3036.96 33077.60  3596.45 36645.11  5669.53  284.106   15.651  297.364   23.677 -13.25766 28.38242 
1 1 1  -58    4    3 f  267.553   14.464 29311.83  3130.47 25734.68  3986.68 35064.52  5055.66  249.675   19.828  291.286   21.528 -41.61104 29.26827 
1 1 1  -58    4    4 o  192.307   15.818 15222.13  2447.98 15222.13  2447.98   0.0000   0.0000  192.307   15.818  ?   ?  0.000000 15.81764 
1 1 1  -58    4    5 o  242.390   18.823 24252.54  3675.60 24252.54  3675.60   0.0000   0.0000  242.390   18.823  ?   ?  0.000000 18.82327 
1 1 1  -58    4    6 o  487.518   24.269 98379.64  9606.70 95959.96 13684.31 100731.00 13489.63  475.025   35.741  487.618   34.289 -12.59229 49.52904 
1 1 1  -58    4    7 o  550.816   39.883 130842.60 17716.55   0.0000   0.0000 130842.60 17716.55  ?   ?   550.816   39.883 0.000000 39.88259 
1 1 1  -58    4    8 o  573.968   27.825 137906.91 12967.44 148548.70 18437.18 127489.40 18241.85  586.231   38.955  540.360   41.904 45.87103 57.21429 
1 1 1  -58    4    9 o  345.448   17.237 49094.34  4834.73 53895.44  6933.96 44551.85  6744.64  359.031   23.922  325.538   25.726 33.49246 35.12988 
1 1 1  -58    4   10 o  669.401   34.034 193037.20 18437.89 195949.50 26157.58 190161.30 25993.44  653.764   49.647  643.245   50.164 10.51892 70.57834 
1 1 1  -58    4   11 o  219.254   12.822 19772.15  2272.73 18082.85  3300.34 21295.79  3134.34  207.768   19.803  226.441   17.175 -18.67255 26.21341 
1 1 1  -58    4   12 o  267.494   12.107 29358.63  2629.63 26811.85  4726.56 30500.32  3164.62  251.056   23.458  271.692   14.397 -20.63533 27.52375 
1 1 1  -58    4   13 o  310.438   13.811 39831.49  3481.34 35387.04  6198.05 41879.91  4207.80  284.448   27.166  316.774   16.416 -32.32642 31.74068 
1 1 1  -58    4   14 o  209.022   10.357 17982.71  1757.85 14605.01  3250.57 19378.77  2089.78  182.778   22.370  216.185   11.952 -33.40744 25.36219 
1 1 1  -58    4   15 o  138.967   8.2549  7958.54  927.271 10884.15  1903.85  7048.71  1061.71  160.154   14.808  130.257   10.118 29.89644 17.93469 
1 1 1  -58    4   16 o   88.788   7.8217  3267.03  558.128  2717.49  1275.68  3397.12  620.686   77.067   20.156   90.373   8.5606 -13.30592 21.89899 
1 1 1  -58    4   17 o  115.018   8.4591  5502.61  784.462  4287.37  1743.52  5811.06  878.395   94.609   22.935  117.944   9.2463 -23.33498 24.72834 
1 1 1  -58    4   18 o   89.705   8.9713  3385.97  644.684  4134.11  1588.83  3238.51  705.359   92.445   21.562   87.289   10.141 5.155617 23.82814 
1 1 1  -58    4   19 o   43.004   11.385  819.875  403.778  2137.12  1456.48  710.208  420.250   65.682   22.583   40.230   11.975 25.45207 25.56215 
1 1 1  -58    4   20 o   34.072   11.396  487.185  370.648  1548.02  1261.97  387.034  387.750   56.662   20.853   31.933   11.588 24.72926 23.85692 
1 1 1  -58    4   21 o   32.251   11.585  417.214  386.286  2702.45  1367.29  218.992  402.691   68.947   21.806   28.463   11.424 40.48357 24.61736 
1 1 1  -58    4   22 o   44.628   12.047  951.916  446.738  1162.94  1830.75  938.555  460.663   49.806   22.232   44.191   12.357 5.615726 25.43495 
1 1 1  -58    4   23 o   41.508   12.299  867.787  444.060 -536.8260  1964.38  943.430  455.860   39.028   19.036   43.214   12.366 -4.185871 22.69959 
1 1 1  -58    6    1 o  575.569   26.749 137050.09 12500.81 120165.80 17254.85 155702.20 18135.64  531.381   40.291  607.372   36.950 -75.99060 54.66856 
1 1 1  -58    6    2 o  311.573   13.118 39597.47  3318.74 33151.50  3942.44 55274.05  6148.19  284.107   17.171  366.262   20.759 -82.15546 26.94019 
1 1 1  -58    6    3 o  217.049   13.937 19309.90  2443.17 19292.17  3056.21 19341.29  4066.63  216.348   17.549  215.325   23.649 1.023117 29.44893 
1 1 1  -58    6    4 o  274.069   21.039 31075.13  4646.26 31075.13  4646.26   0.0000   0.0000  274.069   21.039  ?   ?  0.000000 21.03930 
1 1 1  -58    6    5 o  128.328   13.520  6798.26  1387.60  6798.26  1387.60   0.0000   0.0000  128.328   13.520  ?   ?  0.000000 13.52038 
1 1 1  -58    6    6 o  450.515   32.934 85903.80 11963.86 85903.80 11963.86   0.0000   0.0000  450.515   32.934  ?   ?  0.000000 32.93396 
1 1 1  -58    6    7 o  498.409   23.916 103041.50  9678.66 111102.40 13817.99 95277.54 13561.01  511.414   33.461  472.038   35.644 39.37567 48.88903 
1 1 1  -58    6    8 o  400.894   19.670 66307.94  6402.98 70372.74  9185.00 62465.08  8930.72  408.889   27.831  384.643   28.804 24.24564 40.05294 
1 1 1  -58    6    9 o  225.385   12.838 20848.68  2339.64 18845.14  3435.74 22581.13  3194.87  212.536   20.150  233.680   16.954 -21.14412 26.33318 
1 1 1  -58    6   10 o  141.915   7.5349  8224.19  865.138  9826.12  1745.08  7702.17  996.173  154.134   14.100  137.151   8.9952 16.98351 16.72489 
1 1 1  -58    6   11 o  168.444   10.682 11647.76  1453.48 13973.15  2192.40  9824.21  1941.47  183.677   14.827  153.582   15.794 30.09485 21.66267 
1 1 1  -58    6   12 o  185.167   20.303 14523.01  3002.48   0.0000   0.0000 14523.01  3002.48  ?   ?   185.167   20.303 0.000000 20.30305 
1 1 1  -58    6   13 o  189.517   9.4459 14716.79  1453.56 14865.12  2764.25 14660.10  1708.89  187.275   18.417  188.477   11.217 -1.202744 21.56393 
1 1 1  -58    6   14 o  153.157   8.3894  9644.81  1039.33  9119.00  2098.33  9815.74  1196.40  145.596   18.143  154.214   9.6023 -8.617813 20.52748 
1 1 1  -58    6   15 o  149.841   9.9892  9319.88  1208.38 11206.34  1971.01  8183.83  1529.55  162.167   15.144  139.003   13.731 23.16400 20.44251 
1 1 1  -58    6   16 o  149.094   10.652  9301.47  1281.05  9162.24  2166.42  9376.33  1588.53  143.454   19.072  148.471   13.319 -5.017334 23.26186 
1 1 1  -58    6   17 o   40.949   12.423  718.404  449.122 -367.7687  1231.42  885.055  482.347   40.101   18.041   45.014   12.664 -4.912666 22.04212 
1 1 1  -58    6   18 o   64.642   10.277  1797.48  521.337 -690.9404  1436.72  2174.82  559.470   40.766   18.776   71.356   9.9250 -30.59031 21.23806 
1 1 1  -58    6   19 o  114.388   10.916  5633.03  1001.53  3799.36  1976.26  6266.71  1161.77   82.883   26.217  119.944   12.094 -37.06137 28.87181 
1 1 1  -58    6   20 o   19.969   9.2465 -263.2042  355.246  1648.71  1236.58 -435.1898  370.880   57.571   20.723   18.711   8.9044 38.85963 22.55540 
1 1 1  -58    6   21 o   67.834   11.495  2089.21  610.520  2586.92  1579.33  2001.76  661.982   65.359   23.431   65.500   12.906 -0.1410370 26.75050 
1 1 1  -58    6   22 o   38.892   12.333  719.651  437.151 -1335.5270  1859.84  839.834  449.751   37.967   18.519   41.723   12.381 -3.756645 22.27689 
1 1 1  -58    6   23 o   57.285   13.074  1687.48  594.724  1893.89  2158.41  1670.52  618.672   48.230   22.488   56.414   13.653 -8.184105 26.30814 
1 1 1  -58    8    1 o  240.874   24.312 24178.78  4689.92   0.0000   0.0000 24178.78  4689.92  ?   ?   240.874   24.312 0.000000 24.31205 
1 1 1  -58    8    2 o  347.488   29.614 50608.05  8275.70   0.0000   0.0000 50608.05  8275.70  ?   ?   347.488   29.614 0.000000 29.61351 
1 1 1  -58    8    3 o   63.747   11.907  1710.16  593.627  1710.16  593.627   0.0000   0.0000   63.747   11.907  ?   ?  0.000000 11.90665 
1 1 1  -58    8    4 o  244.283   19.348 24664.83  3806.21 24664.83  3806.21   0.0000   0.0000  244.283   19.348  ?   ?  0.000000 19.34763 
1 1 1  -58    8    5 f  508.937   37.199 110632.20 15265.79 110632.20 15265.79   0.0000   0.0000  508.937   37.199  ?   ?  0.000000 37.19940 
1 1 1  -58    8    6 o  244.788   19.512 24818.68  3845.94 24818.68  3845.94   0.0000   0.0000  244.788   19.512  ?   ?  0.000000 19.51175 
1 1 1  -58    8    7 o  625.967   46.984 173956.59 23706.17 173956.59 23706.17   0.0000   0.0000  625.967   46.984  ?   ?  0.000000 46.98421 
1 1 1  -58    8    9 o  423.594   21.006 74454.30  7224.92 77049.92 10374.46 72009.95 10067.59  425.092   30.254  410.797   30.399 14.29532 42.88828 
1 1 1  -58    8   10 o   94.431   8.6445  3665.96  655.467  4014.79  1201.41  3518.12  782.125   97.577   15.696   92.188   10.644 5.389259 18.96485 
1 1 1  -58    8   11 f  387.707   29.808 65104.85  9311.90 65104.85  9311.90   0.0000   0.0000  387.707   29.808  ?   ?  0.000000 29.80821 
1 1 1  -58    8   12 o  154.386   10.808  9823.08  1346.31  6941.76  2132.75 11731.89  1735.90  126.645   21.510  168.310   12.798 -41.66507 25.02903 
1 1 1  -58    8   13 o  105.570   9.4751  4608.13  803.549  3848.67  1465.18  4934.82  960.955   93.594   19.893  108.942   11.015 -15.34737 22.73879 
1 1 1  -58    8   14 o  348.748   19.020 52279.71  5365.48 50676.88  7785.74 53729.42  7404.48  331.179   29.254  344.540   26.676 -13.36081 39.59026 
1 1 1  -58    8   15 o   68.063   10.990  1970.65  586.651  1607.23  1290.38  2065.34  658.656   61.821   21.257   69.397   12.131 -7.575954 24.47457 
1 1 1  -58    8   16 o  146.691   10.726  9024.88  1268.70 11102.73  2153.52  7920.37  1570.10  159.195   16.920  135.595   14.485 23.59987 22.27300 
1 1 1  -58    8   17 o  132.684   10.706  7437.03  1143.60  8029.24  2053.98  7170.96  1376.74  132.131   19.751  128.906   13.347 3.225571 23.83773 
1 1 1  -58    8   18 o  143.588   9.2873  8672.11  1077.00  8504.62  2308.64  8718.70  1217.61  132.083   22.322  143.264   10.541 -11.18095 24.68578 
1 1 1  -58    8   19 o   84.148   9.1452  3017.94  614.790  3920.69  1541.03  2847.06  670.456   87.546   21.770   81.144   10.416 6.401787 24.13403 
1 1 1  -58    8   20 o   15.442   7.5791 -627.5801  326.219 -1078.4399  1572.65 -607.3082  333.472   38.789   18.424   15.864   7.7604 22.92479 19.99122 
1 1 1  -58    8   21 o  100.001   9.8859  4405.30  792.202  3729.12  2194.26  4506.65  849.498   71.211   27.220  100.616   10.555 -29.40427 29.19526 
1 1 1  -58    8   22 o   35.122   13.064  542.894  497.746  1194.08  2009.50  500.329  513.756   48.757   22.364   34.475   13.173 14.28130 25.95495 
1 1 1  -58    8   23 f   26.173   11.448   85.099  462.333  1534.76  2192.16   17.617  472.972   45.391   21.614   25.518   11.352 19.87278 24.41392 
1 1 1  -58   10    1 o  263.691   25.861 29065.06  5465.86   0.0000   0.0000 29065.06  5465.86  ?   ?   263.691   25.861 0.000000 25.86124 
1 1 1  -58   10    2 o  236.410   25.417 23401.48  4802.42   0.0000   0.0000 23401.48  4802.42  ?   ?   236.410   25.417 0.000000 25.41746 
1 1 1  -58   10    3 o  293.703   27.947 36217.46  6584.46   0.0000   0.0000 36217.46  6584.46  ?   ?   293.703   27.947 0.000000 27.94742 
1 1 1  -58   10    4 o   38.040   12.748  553.961  463.818  553.961  463.818   0.0000   0.0000   38.040   12.748  ?   ?  0.000000 12.74784 
1 1 1  -58   10    5 o  226.635   19.030 21274.94  3469.49 21274.94  3469.49   0.0000   0.0000  226.635   19.030  ?   ?  0.000000 19.03000 
1 1 1  -58   10    6 o  158.666   15.456 10413.09  1965.99 10413.09  1965.99   0.0000   0.0000  158.666   15.456  ?   ?  0.000000 15.45641 
1 1 1  -58   10    7 o  133.766   9.6286  7331.18  1038.80  4856.47  1627.75  9031.61  1349.29  106.902   19.470  148.316   11.289 -41.41437 22.50604 
1 1 1  -58   10    8 o   73.358   9.7341  2232.73  565.485   0.0000   0.0000  2232.73  565.485  ?   ?    73.358   9.7341 0.000000 9.734133 
1 1 1  -58   10    9 o  373.711   17.509 57658.95  5312.88 70575.27  7693.05 45881.50  7346.06  410.299   23.187  328.209   27.828 82.09033 36.22157 
1 1 1  -58   10   10 o  274.523   11.710 30869.10  2610.15 31970.52  4769.21 30398.12  3118.68  275.756   21.469  271.501   14.196 4.254211 25.73845 
1 1 1  -58   10   11 o  251.315   28.487 27586.97  5710.45 28854.92  8257.74 26424.93  7905.38  246.976   42.725  236.066   42.820 10.91052 60.48914 
1 1 1  -58   10   12 o  232.994   10.524 22294.86  1990.90 23168.63  3714.42 21942.66  2358.26  233.419   19.784  230.226   12.664 3.193329 23.49045 
1 1 1  -58   10   13 o  220.478   10.138 20013.02  1814.95 22112.52  3434.44 19199.53  2137.85  227.292   18.778  214.919   12.302 12.37288 22.44849 
1 1 1  -58   10   14 o  262.978   11.789 28759.91  2517.22 30126.63  4639.54 28189.75  2996.62  260.768   22.121  258.544   14.330 2.223969 26.35690 
1 1 1  -58   10   15 o  106.731   8.3831  4722.53  720.654  4803.33  1659.46  4703.75  800.030  102.706   20.616  106.246   9.3697 -3.539993 22.64500 
1 1 1  -58   10   16 o  109.646   9.0035  5017.04  794.499  5336.85  1764.58  4935.72  889.793  107.190   21.026  108.322   10.238 -1.131866 23.38574 
1 1 1  -58   10   17 o  131.479   8.8987  7229.45  944.395  6773.94  1970.05  7365.36  1076.10  119.754   21.028  132.162   10.104 -12.40800 23.32941 
1 1 1  -58   10   18 o   81.527   10.208  2849.38  660.923  3877.55  1749.71  2678.27  713.805   86.389   24.056   78.437   11.554 7.951653 26.68643 
1 1 1  -58   10   19 o  161.556   10.145 11186.67  1324.06 10709.44  2824.92 11321.03  1498.90  140.011   25.799  161.310   11.520 -21.29965 28.25443 
1 1 1  -58   10   20 o   48.241   13.065  1086.51  524.366 -1334.3311  1824.05  1304.60  547.475   40.266   19.320   52.948   12.862 -12.68223 23.20928 
1 1 1  -58   10   21 o   53.147   13.224  1364.93  568.365 -2336.7390  1704.95  1827.73  602.849   34.034   16.823   62.336   12.347 -28.30281 20.86740 
1 1 1  -58   10   22 o   63.815   13.256  2037.87  664.408 -4861.7729  2278.48  2679.08  694.595   32.403   16.457   74.783   11.833 -42.37972 20.26940 
1 1 1  -58   10   23 o   35.455   14.008  632.787  596.237  1200.99  2453.45  597.124  614.664   42.718   20.929   34.987   14.088 7.731213 25.22890 
1 1 1  -58   12    5 o  139.878   16.803  8145.98  1870.24  8145.98  1870.24   0.0000   0.0000  139.878   16.803  ?   ?  0.000000 16.80307 
1 1 1  -58   12    6 o  294.471   17.642 35809.60  4198.76 26613.40  6214.59 43532.91  5695.22  248.958   31.444  323.390   21.817 -74.43234 38.27176 
1 1 1  -58   12    7 o  358.980   20.672 53569.37  5999.87 41436.51  8725.56 64451.21  8263.48  308.530   35.476  391.192   26.167 -82.66226 44.08215 
1 1 1  -58   12    8 o  236.512   18.082 23244.52  3446.25   0.0000   0.0000 23244.52  3446.25  ?   ?   236.512   18.082 0.000000 18.08248 
1 1 1  -58   12    9 o   89.525   6.8032  3282.14  490.832  2587.41  1340.34  3389.73  527.471   77.442   20.852   90.943   7.2021 -13.50095 22.06071 
1 1 1  -58   12   10 o   44.334   7.8877  825.614  273.535  364.060  1128.34  854.432  281.945   46.407   18.941   45.103   7.9914 1.304028 20.55761 
1 1 1  -58   12   11 o  147.053   8.0556  8861.31  958.204  9343.41  2036.08  8724.17  1085.98  148.658   17.185  145.697   9.2274 2.961624 19.50553 
1 1 1  -58   12   12 o  140.492   8.2737  8109.98  939.653  7938.06  2084.77  8153.81  1052.64  135.421   19.524  140.660   9.2685 -5.239471 21.61234 
1 1 1  -58   12   13 o   75.810   8.5307  2389.14  515.987  1515.56  1355.95  2537.06  557.965   61.593   21.750   78.058   8.9662 -16.46468 23.52583 
1 1 1  -58   12   14 o  100.705   8.3796  4201.83  678.966  4507.65  1637.67  4138.35  746.110   99.620   20.912   99.697   9.3251 -0.7715607E-01 22.89721 
1 1 1  -58   12   15 o   35.228   12.236  476.145  428.086   12.559  1313.29  531.258  452.818   44.702   19.428   36.797   12.594 7.905521 23.15286 
1 1 1  -58   12   16 o  168.750   9.8583 11926.88  1344.90 10818.97  2773.81 12267.38  1537.74  150.627   23.442  170.413   11.175 -19.78627 25.96941 
1 1 1  -58   12   17 o   62.915   11.894  1735.95  585.332  2891.97  1667.16  1573.41  625.128   75.744   24.092   59.353   13.301 16.39091 27.51999 
1 1 1  -58   12   18 o   25.159   11.314 -181.9679  483.645  1649.58  1550.11 -379.4955  509.057   59.995   22.892   23.800   11.037 36.19466 25.41347 
1 1 1  -58   12   19 o   77.307   11.864  2662.57  720.925  2277.46  1987.85  2720.89  773.592   64.728   25.576   77.681   12.704 -12.95319 28.55704 
1 1 1  -58   12   20 o   65.484   12.977  2001.34  665.586  3444.77  2105.49  1841.08  701.563   70.888   26.767   61.936   14.247 8.952396 30.32237 
1 1 1  -58   12   21 o   77.176   16.020  3076.04  971.049  5988.06  2434.11  2524.88  1058.96   82.774   29.151   66.634   18.771 16.13956 34.67168 
1 1 1  -58   12   22 o   52.593   16.874  1640.01  816.461 -1934.1940  2120.72  2261.95  884.650   35.979   17.946   62.176   17.024 -26.19722 24.73655 
1 1 1  -58   14    2 o  319.644   30.238 43301.56  7754.69   0.0000   0.0000 43301.56  7754.69  ?   ?   319.644   30.238 0.000000 30.23784 
1 1 1  -58   14    3 o  354.790   32.372 53669.75  9223.03   0.0000   0.0000 53669.75  9223.03  ?   ?   354.790   32.372 0.000000 32.37227 
1 1 1  -58   14    4 o   67.449   27.536  789.205  2385.40   0.0000   0.0000  789.205  2385.40  ?   ?    67.449   27.536 0.000000 27.53559 
1 1 1  -58   14    5 o  324.174   20.052 43618.34  5252.26 21661.11  9162.58 54364.39  6409.93  213.593   53.067  361.285   21.955 -147.6918 57.42942 
1 1 1  -58   14    6 o  178.446   12.841 13102.04  1848.13  8001.29  3022.22 16148.79  2335.76  135.307   28.413  197.837   14.645 -62.53058 31.96496 
1 1 1  -58   14    7 o  127.748   10.478  6710.93  1077.30  4406.97  1842.59  7907.53  1327.90  100.757   23.026  138.499   11.924 -37.74258 25.93005 
1 1 1  -58   14    8 o  259.071   19.942 28115.99  4162.69   0.0000   0.0000 28115.99  4162.69  ?   ?   259.071   19.942 0.000000 19.94194 
1 1 1  -58   14    9 o  356.348   18.950 53156.36  5463.47 54243.67  8013.53 52211.98  7468.28  353.692   28.136  348.125   26.623 5.566711 38.73519 
1 1 1  -58   14   10 o  381.287   15.258 60375.14  4723.67 67495.84  8605.55 57304.45  5651.12  393.005   27.134  368.810   18.935 24.19501 33.08731 
1 1 1  -58   14   11 o  169.358   8.9698 11791.90  1229.07 11087.48  2666.79 11981.88  1384.93  159.799   21.067  170.449   10.051 -10.65060 23.34166 
1 1 1  -58   14   12 o  201.714   10.366 16832.62  1692.02 13695.26  3393.75 17870.44  1951.91  174.507   24.637  207.356   11.640 -32.84875 27.24805 
1 1 1  -58   14   13 o   76.481   8.8583  2440.07  539.912  1457.04  1690.45  2551.74  569.753   63.131   23.949   78.166   9.1502 -15.03482 25.63733 
1 1 1  -58   14   14 o  267.063   12.689 30000.63  2751.47 26666.70  5247.03 31265.10  3231.39  235.673   27.966  270.634   14.761 -34.96078 31.62206 
1 1 1  -58   14   15 o   59.428   10.965  1522.87  509.612  1558.02  1646.31  1519.15  535.935   62.369   23.640   59.179   11.568 3.189526 26.31881 
1 1 1  -58   14   16 o  143.410   9.5394  8632.62  1104.47  6725.58  2616.90  9045.94  1218.29  112.578   28.578  146.417   10.314 -33.83872 30.38217 
1 1 1  -58   14   17 o   96.800   10.202  4000.60  789.777 -953.9852  2210.73  4725.45  845.577   48.665   22.714  105.376   10.003 -56.71081 24.81848 
1 1 1  -58   14   18 o   19.040   9.1576 -577.2324  415.490  435.329  1820.77 -632.8559  426.749   50.967   22.491   18.969   9.1625 31.99894 24.28575 
1 1 1  -58   14   19 f   97.674   10.760  4195.83  839.189  4288.11  2485.80  4183.96  891.529   78.317   29.182   96.984   11.548 -18.66767 31.38415 
1 1 1  -58   14   20 o   88.766   15.854  3918.26  1100.74  4088.15  2712.19  3884.76  1204.39   69.159   28.902   86.358   17.769 -17.19913 33.92757 
1 1 1  -58   14   21 o   45.693   16.283  1122.06  761.597  3175.09  2697.22  944.198  793.903   57.092   26.083   42.937   16.383 14.15549 30.80154 
1 1 1  -58   14   22 o   32.570   13.960  363.402  660.038  155.778  2394.40  380.477  686.641   40.873   20.153   33.042   14.203 7.830441 24.65452 
1 1 1  -58   16    1 o   61.099   24.693  724.573  1895.84   0.0000   0.0000  724.573  1895.84  ?   ?    61.099   24.693 0.000000 24.69317 
1 1 1  -58   16    2 o  260.743   28.387 28939.07  5912.81   0.0000   0.0000 28939.07  5912.81  ?   ?   260.743   28.387 0.000000 28.38683 
1 1 1  -58   16    3 o  253.356   29.098 27447.30  5877.32   0.0000   0.0000 27447.30  5877.32  ?   ?   253.356   29.098 0.000000 29.09804 
1 1 1  -58   16    4 o  165.973   11.451 11312.64  1533.79   0.0000   0.0000 11312.64  1533.79  ?   ?   165.973   11.451 0.000000 11.45131 
1 1 1  -58   16    5 o  162.399   11.240 10834.59  1472.97  7167.72  2940.11 12063.36  1701.96  127.494   29.049  171.206   12.326 -43.71169 31.55572 
1 1 1  -58   16    6 o  135.324   11.068  7541.24  1205.52  6567.86  2219.48  7948.57  1435.78  123.320   23.012  138.611   12.905 -15.29137 26.38369 
1 1 1  -58   16    7 o  148.590   12.184  9119.35  1457.06  5456.78  2517.33 10964.59  1786.79  110.733   27.985  162.688   13.653 -51.95406 31.13775 
1 1 1  -58   16    8 o  252.313   20.028 26889.24  4069.44   0.0000   0.0000 26889.24  4069.44  ?   ?   252.313   20.028 0.000000 20.02823 
1 1 1  -58   16    9 f  308.724   18.172 40149.38  4535.12 35943.15  6795.94 43526.40  6089.34  283.423   29.986  317.460   23.797 -34.03705 38.28126 
1 1 1  -58   16   10 f  194.599   10.495 15631.25  1652.09 12157.63  3452.81 16662.63  1881.44  164.185   26.827  200.572   11.602 -36.38722 29.22806 
1 1 1  -58   16   11 o  196.689   13.704 16227.06  2174.87 11577.96  3649.03 18788.47  2708.52  156.893   29.732  210.535   15.963 -53.64249 33.74660 
1 1 1  -58   16   12 o   64.010   9.1077  1720.59  460.011  2201.17  1666.07  1680.93  478.616   71.135   24.159   63.129   9.6432 8.005669 26.01257 
1 1 1  -58   16   13 o   44.396   11.226  853.138  404.926  604.554  1655.76  868.951  417.606   54.463   22.656   44.792   11.441 9.671444 25.38133 
1 1 1  -58   16   14 o   66.255   10.494  1873.34  545.721  3461.68  1689.21  1688.25  576.642   84.896   23.635   62.444   11.806 22.45201 26.41915 
1 1 1  -58   16   15 o   34.247   12.347  431.154  439.132 -870.1833  1688.78  525.525  454.776   43.799   20.238   36.511   12.616 7.288326 23.84828 
1 1 1  -58   16   16 o   39.777   12.393  681.512  443.314 -4605.7319  1902.60  985.040  455.861   33.161   16.609   47.140   11.906 -13.97886 20.43618 
1 1 1  -58   16   17 o   71.092   11.436  2218.62  637.762  1854.83  2271.94  2249.74  664.479   64.288   26.624   71.396   11.880 -7.108253 29.15440 
1 1 1  -58   16   18 o   36.817   13.844  510.875  561.972  1168.18  2264.68  467.744  580.117   57.330   25.199   36.322   13.969 21.00839 28.81231 
1 1 1  -58   16   19 o   34.920   13.542  443.197  548.615  240.899  2522.46  453.242  562.070   51.212   24.018   35.274   13.699 15.93776 27.65021 
1 1 1  -58   16   20 o   38.531   15.286  617.337  712.690  192.288  2798.40  646.818  736.992   48.525   23.445   39.149   15.540 9.376194 28.12749 
1 1 1  -58   16   21 o   33.695   14.623  318.605  741.956  3599.50  3115.97  121.402  763.929   53.499   25.556   31.961   14.307 21.53816 29.28836 
1 1 1  -58   18    1 o  349.445   32.602 53109.93  9143.50   0.0000   0.0000 53109.93  9143.50  ?   ?   349.445   32.602 0.000000 32.60161 
1 1 1  -58   18    2 o  218.437   29.092 20676.56  5031.51   0.0000   0.0000 20676.56  5031.51  ?   ?   218.437   29.092 0.000000 29.09170 
1 1 1  -58   18    3 o  137.797   32.848  8544.26  3623.30   0.0000   0.0000  8544.26  3623.30  ?   ?   137.797   32.848 0.000000 32.84793 
1 1 1  -58   18    4 o   84.785   10.793  2988.27  726.148   0.0000   0.0000  2988.27  726.148  ?   ?    84.785   10.793 0.000000 10.79268 
1 1 1  -58   18    5 o  123.601   11.994  6327.55  1188.52  1041.84  2655.14  7652.06  1329.11   71.155   29.050  135.995   12.165 -64.84029 31.49413 
1 1 1  -58   18    6 o  211.468   14.195 18549.71  2423.21 11976.51  4531.99 21181.30  2867.53  160.572   35.686  225.489   15.761 -64.91716 39.01150 
1 1 1  -58   18    7 o   78.846   11.771  2612.26  730.508  705.102  1591.95  3120.96  822.181   56.235   22.663   86.257   12.070 -30.02258 25.67623 
1 1 1  -58   18    8 o  119.356   13.585  5977.43  1293.13   0.0000   0.0000  5977.43  1293.13  ?   ?   119.356   13.585 0.000000 13.58519 
1 1 1  -58   18    9 o  197.445   14.386 16347.31  2290.43 13626.88  3935.62 17740.61  2816.53  171.948   29.235  204.401   17.128 -32.45238 33.88346 
1 1 1  -58   18   10 o  171.030   13.727 12299.09  1890.22  8015.10  3283.37 14422.73  2311.73  128.476   31.675  184.402   15.585 -55.92664 35.30202 
1 1 1  -58   18   11 o   87.864   9.7629  3225.89  684.736  3136.91  1949.07  3238.42  731.354   82.392   26.033   87.855   10.458 -5.463615 28.05503 
1 1 1  -58   18   12 o   71.047   8.4431  2108.36  477.533  3773.19  1659.44  1958.05  498.624   89.913   22.721   68.242   9.2361 21.67062 24.52621 
1 1 1  -58   18   13 o  113.054   8.5468  5312.75  778.772  4326.78  2208.01  5452.83  832.257   93.082   27.384  114.388   9.0341 -21.30635 28.83606 
1 1 1  -58   18   14 o   87.940   9.1651  3250.09  644.815  1689.64  2047.97  3421.81  679.368   65.545   25.940   90.173   9.4178 -24.62799 27.59682 
1 1 1  -58   18   15 o   79.611   9.9231  2699.55  627.516  2558.42  2153.84  2712.64  655.974   72.164   27.110   79.631   10.393 -7.467003 29.03369 
1 1 1  -58   18   16 o   30.801   12.784  158.135  525.386  2500.46  2148.04   9.0918  541.844   69.703   26.861   29.112   12.565 40.59045 29.65443 
1 1 1  -58   18   17 o   43.133   13.837  833.940  549.061 -1487.8680  2367.30  965.941  564.453   46.347   22.177   45.956   13.924 0.3908501 26.18557 
1 1 1  -58   18   18 o   35.580   14.192  410.117  617.450  2069.44  2540.81  305.975  636.531   61.263   26.815   34.372   14.150 26.89132 30.31951 
1 1 1  -58   18   19 o   98.844   17.544  5088.76  1356.45  3248.73  3336.19  5453.19  1484.71   61.440   28.409  100.699   18.851 -39.25921 34.09472 
1 1 1  -58   18   20 o   40.974   16.840  788.508  899.638 -3230.3040  3142.88  1147.19  938.926   40.290   20.332   45.488   17.694 -5.197826 26.95339 
1 1 1  -58   20    1 o   74.005   26.998  2016.94  2108.70   0.0000   0.0000  2016.94  2108.70  ?   ?    74.005   26.998 0.000000 26.99844 
1 1 1  -58   20    2 o  232.147   30.858 23981.94  5672.56   0.0000   0.0000 23981.94  5672.56  ?   ?   232.147   30.858 0.000000 30.85845 
1 1 1  -58   20    3 o  128.049   35.061  7652.26  3752.26   0.0000   0.0000  7652.26  3752.26  ?   ?   128.049   35.061 0.000000 35.06140 
1 1 1  -58   20    4 o  202.345   15.839 17122.70  2581.59   0.0000   0.0000 17122.70  2581.59  ?   ?   202.345   15.839 0.000000 15.83928 
1 1 1  -58   20    5 o  158.178   13.405 10420.18  1705.51  5773.50  3814.61 11581.11  1906.70  111.498   36.528  166.553   14.236 -55.05576 39.20419 
1 1 1  -58   20    6 o  134.450   11.669  7508.82  1261.24 10100.54  2848.36  6876.73  1406.66  151.242   23.996  128.057   13.743 23.18544 27.65269 
1 1 1  -58   20    7 o   51.194   13.986  1126.52  597.844  3123.29  1738.10  858.574  636.694   83.436   24.225   45.941   14.917 37.49458 28.44960 
1 1 1  -58   20    8 f   53.300   14.771  1227.04  661.373  2966.18  1911.86  990.622  704.893   81.346   25.792   48.917   15.677 32.42969 30.18264 
1 1 1  -58   20    9 f  126.135   13.566  6726.23  1367.55  3631.83  2826.96  7671.61  1562.55   89.185   31.415  134.411   14.550 -45.22549 34.62041 
1 1 1  -58   20   10 o   74.365   14.950  2415.15  871.397  1799.36  2204.86  2529.14  948.627   69.994   27.146   75.842   15.912 -5.848244 31.46583 
1 1 1  -58   20   11 o  121.920   14.334  6379.53  1391.91  5423.28  2959.13  6651.21  1577.30  102.710   32.021  123.684   16.087 -20.97338 35.83470 
1 1 1  -58   20   12 o   34.869   10.823  507.931  338.494 -1849.5120  2217.15  564.190  342.509   46.816   22.129   36.440   10.803 10.37554 24.62540 
1 1 1  -58   20   13 o  111.889   8.7798  5228.29  791.246  4343.20  2819.21  5303.97  824.381   89.831   31.389  112.587   9.0955 -22.75658 32.68046 
1 1 1  -58   20   14 o   35.452   11.983  508.666  409.881 -1088.6210  2086.27  572.795  418.028   47.321   22.079   37.054   12.090 10.26729 25.17249 
1 1 1  -58   20   15 o   34.703   12.606  452.015  458.972  758.406  2519.85  441.501  466.780   59.506   26.349   34.609   12.691 24.89772 29.24570 
1 1 1  -58   20   16 o   52.660   13.855  1280.86  600.418  842.073  2762.58  1302.62  615.122   59.297   26.817   53.039   14.057 6.257183 30.27739 
1 1 1  -58   20   17 o   37.629   13.731  579.479  545.467  3103.11  2740.56  475.382  556.603   68.310   28.829   35.886   13.711 32.42321 31.92377 
1 1 1  -58   20   18 o   35.096   15.660   31.230  907.492 -945.9876  2920.62  135.659  954.751   47.958   23.352   36.699   16.236 11.25860 28.44141 
1 1 1  -58   20   19 o   91.522   18.577  4713.00  1333.31 10402.84  3793.54  3911.07  1424.18   83.731   34.515   78.196   21.677 5.534637 40.75806 
1 1 1  -58   20   20 o   50.719   19.426  1803.89  1118.91  980.899  3800.00  1882.02  1170.81   45.383   22.832   51.183   19.801 -5.800117 30.22232 
1 1 1  -58   22    1 o  271.338   32.830 33798.94  7085.96   0.0000   0.0000 33798.94  7085.96  ?   ?   271.338   32.830 0.000000 32.83039 
1 1 1  -58   22    2 o  101.845   33.752  4736.71  3253.36   0.0000   0.0000  4736.71  3253.36  ?   ?   101.845   33.752 0.000000 33.75195 
1 1 1  -58   22    3 o  100.854   13.381  4287.00  1068.75   0.0000   0.0000  4287.00  1068.75  ?   ?   100.854   13.381 0.000000 13.38135 
1 1 1  -58   22    4 o   70.851   13.452  2149.76  745.557   0.0000   0.0000  2149.76  745.557  ?   ?    70.851   13.452 0.000000 13.45165 
1 1 1  -58   22    5 o  100.487   13.159  4262.33  1047.89  2642.44  3113.12  4469.32  1112.83   83.809   32.325  102.785   13.673 -18.97544 35.09831 
1 1 1  -58   22    6 o  191.086   14.698 15380.49  2262.95  7390.31  4778.37 17690.65  2569.34  119.636   40.913  204.556   15.587 -84.92042 43.78130 
1 1 1  -58   22    7 o  156.470   15.798 10435.10  1979.68   0.0000   0.0000 10435.10  1979.68  ?   ?   156.470   15.798 0.000000 15.79849 
1 1 1  -58   22    8 o   20.336   9.5968 -458.2280  413.870  807.137  1991.54 -515.3413  423.107   60.304   24.947   20.125   9.5580 40.17892 26.71528 
1 1 1  -58   22    9 o  137.281   14.108  8033.17  1550.17  8793.33  3413.96  7835.74  1739.88  131.776   32.184  134.543   16.256 -2.766998 36.05656 
1 1 1  -58   22   10 o  102.292   32.148  5445.50  2975.98  5445.50  2975.98   0.0000   0.0000  102.292   32.148  ?   ?  0.000000 32.14827 
1 1 1  -58   22   11 o  158.453   15.262 10897.05  1939.26 10977.75  3829.92 10869.22  2248.85  142.695   33.610  156.294   18.053 -13.59921 38.15102 
1 1 1  -58   22   12 o  127.277   8.9516  6767.44  919.211  5514.10  3201.81  6880.02  959.608   98.289   33.491  128.202   9.2813 -29.91308 34.75302 
1 1 1  -58   22   13 o   72.486   9.1644  2228.20  527.333  3352.19  3359.68  2199.81  533.951   79.914   32.658   71.951   9.3613 7.962563 33.97278 
1 1 1  -58   22   14 o   92.810   9.6186  3667.60  714.318  7604.97  3355.92  3480.75  731.071  108.175   34.158   90.150   10.165 18.02457 35.63815 
1 1 1  -58   22   15 o   62.052   11.410  1709.58  553.711  5245.61  3105.15  1593.45  562.731   86.549   32.543   59.583   12.046 26.96533 34.70120 
1 1 1  -58   22   16 o   52.025   19.380  1294.83  1096.15  6169.73  3343.43  707.744  1160.28   85.809   33.387   45.732   18.990 40.07660 38.40949 
1 1 1  -58   22   17 o   30.910   14.539 -593.7039  935.828  741.263  3139.62 -723.8760  980.393   54.270   25.849   30.876   14.631 23.39421 29.70237 
1 1 1  -58   22   18 o   68.889   21.425  3034.28  1325.61  2755.00  3862.95  3071.56  1411.31   55.691   27.057   67.977   22.216 -12.28564 35.00932 
1 1 1  -58   22   19 o   38.456   16.460  643.731  915.182  120.205  3927.25  673.794  941.092   45.328   22.856   38.909   16.673 6.418892 28.29139 
1 1 1  -58   24    1 o  282.852   35.314 38447.58  7933.63   0.0000   0.0000 38447.58  7933.63  ?   ?   282.852   35.314 0.000000 35.31353 
1 1 1  -58   24    2 o  375.042   22.756 61564.79  6897.01   0.0000   0.0000 61564.79  6897.01  ?   ?   375.042   22.756 0.000000 22.75628 
1 1 1  -58   24    3 o  240.826   17.269 24715.50  3354.37   0.0000   0.0000 24715.50  3354.37  ?   ?   240.826   17.269 0.000000 17.26882 
1 1 1  -58   24    4 o  107.667   14.982  4956.86  1274.29   0.0000   0.0000  4956.86  1274.29  ?   ?   107.667   14.982 0.000000 14.98237 
1 1 1  -58   24    5 o  175.534   16.560 13192.57  2332.40   0.0000   0.0000 13192.57  2332.40  ?   ?   175.534   16.560 0.000000 16.56024 
1 1 1  -58   24    6 f  169.643   16.700 12382.73  2270.53   0.0000   0.0000 12382.73  2270.53  ?   ?   169.643   16.700 0.000000 16.70011 
1 1 1  -58   24    7 o   33.210   13.975   93.019  640.922  132.488  2400.87   89.990  665.057   59.610   26.080   33.721   14.215 25.88917 29.70217 
1 1 1  -58   24    8 o  155.510   15.345 10415.52  1912.40  7278.21  4599.35 11071.30  2102.79  112.451   40.021  159.703   16.451 -47.25174 43.27007 
1 1 1  -58   24    9 o   84.989   17.679  3255.53  1180.24 -329.5915  3300.50  3781.20  1263.81   64.331   29.182   91.798   17.596 -27.46662 34.07621 
1 1 1  -58   24   10 o   71.604   18.655  2365.99  1095.51 -147.3978  2786.03  2825.68  1191.48   60.042   27.062   78.165   18.966 -18.12327 33.04650 
1 1 1  -58   24   11 o  110.996   17.472  5582.34  1522.62  3082.73  3772.42  6068.79  1664.20   80.682   33.925  115.179   18.415 -34.49790 38.60083 
1 1 1  -58   24   12 o  117.239   9.1793  5786.83  866.841  4138.24  3574.48  5889.85  893.512   84.095   33.935  118.188   9.3882 -34.09265 35.20935 
1 1 1  -58   24   13 o   16.729   7.8924 -299.8873  279.526 -734.4028  3266.51 -296.6819  280.555   57.655   27.133   16.809   7.9230 40.84624 28.26584 
1 1 1  -58   24   14 o   82.798   9.8017  2957.42  646.170 -2096.3921  3919.42  3098.62  655.135   55.655   27.089   84.831   9.6849 -29.17572 28.76835 
1 1 1  -58   24   15 o   49.628   19.243  1106.16  1107.81 -2842.0740  3472.59  1553.51  1168.89   49.198   24.260   55.371   20.116 -6.172070 31.51512 
1 1 1  -58   24   16 o   64.990   21.516  2494.57  1322.15  3018.56  4237.48  2438.05  1391.62   62.124   29.711   63.686   22.065 -1.562191 37.00831 
1 1 1  -58   24   17 o   66.189   22.175  2912.04  1403.41 -2856.7161  5182.27  3368.59  1457.89   48.677   24.732   71.202   22.517 -22.52546 33.44646 
1 1 1  -58   24   18 o   67.411   23.197  3596.10  1536.81 -1207.9460  5057.84  4084.73  1613.07   45.510   23.241   71.539   23.769 -26.02953 33.24314 
1 1 1  -58   26    1 o  242.537   18.559 25446.61  3627.21   0.0000   0.0000 25446.61  3627.21  ?   ?   242.537   18.559 0.000000 18.55943 
1 1 1  -58   26    2 f   45.678   14.457  871.815  600.873   0.0000   0.0000  871.815  600.873  ?   ?    45.678   14.457 0.000000 14.45680 
1 1 1  -58   26    3 o   37.487   14.232  438.164  597.321   0.0000   0.0000  438.164  597.321  ?   ?    37.487   14.232 0.000000 14.23233 
1 1 1  -58   26    4 o  119.725   15.879  6199.59  1505.55   0.0000   0.0000  6199.59  1505.55  ?   ?   119.725   15.879 0.000000 15.87891 
1 1 1  -58   26    5 o  103.581   16.364  4694.32  1330.54   0.0000   0.0000  4694.32  1330.54  ?   ?   103.581   16.364 0.000000 16.36356 
1 1 1  -58   26    6 o  120.362   16.132  6320.04  1536.89  4259.60  5106.72  6525.25  1611.61   94.887   39.657  122.033   16.703 -27.14620 43.03125 
1 1 1  -58   26    7 o   91.655   17.305  3760.46  1240.66  3573.79  4407.33  3776.52  1292.94   88.568   36.914   91.508   18.043 -2.940262 41.08741 
1 1 1  -58   26    8 o   69.846   18.440  2243.10  1061.16 -1869.4030  3914.04  2569.37  1102.45   62.659   29.552   74.800   18.301 -12.14128 34.76025 
1 1 1  -58   26    9 o   70.240   30.262  1512.76  3131.34  2896.18  3437.88 -5223.4150  7586.14   79.341   32.796   73.456   36.150 5.885460 48.81015 
1 1 1  -58   26   10 o   91.662   19.078  3945.69  1373.70 10116.25  4307.11  3246.93  1449.39  123.494   38.653   81.522   21.564 41.97228 44.26168 
1 1 1  -58   26   11 o   48.648   18.311  934.059  983.493 -1799.7540  3154.29  1228.45  1035.09   54.068   25.796   53.042   18.974 1.025852 32.02267 
1 1 1  -58   26   12 o   43.993   17.979  565.440  1018.23  3422.81  3699.10  331.184  1059.15   75.753   32.763   42.061   17.846 33.69194 37.30851 
1 1 1  -58   26   13 o   37.396   16.660 -61.3144  1022.81  3077.19  4317.13 -247.9568  1052.79   70.922   32.622   36.385   16.496 34.53723 36.55547 
1 1 1  -58   26   14 o   68.326   21.773  2628.65  1361.11  3119.47  4349.57  2575.36  1433.09   66.531   31.309   67.078   22.408 -0.5471420 38.50207 
1 1 1  -58   26   15 o   56.235   21.495  1835.22  1368.32  8841.77  5191.42  1312.13  1418.47   74.369   34.743   50.970   21.067 23.39947 40.63100 
1 1 1  -58   26   16 o   32.696   15.544 -620.8420  1124.71 -3485.5491  5197.51 -480.1084  1152.01   47.633   24.257   33.843   15.983 13.79095 29.04889 
1 1 1  -58   28    1 o   82.485   17.897  3055.46  1164.19   0.0000   0.0000  3055.46  1164.19  ?   ?    82.485   17.897 0.000000 17.89681 
1 1 1  -58   28    2 o  225.606   18.950 22477.17  3439.17   0.0000   0.0000 22477.17  3439.17  ?   ?   225.606   18.950 0.000000 18.94991 
1 1 1  -58   28    3 o  230.726   20.127 23824.84  3732.84   0.0000   0.0000 23824.84  3732.84  ?   ?   230.726   20.127 0.000000 20.12679 
1 1 1  -58   28    4 o  115.885   17.093  5947.05  1560.06   0.0000   0.0000  5947.05  1560.06  ?   ?   115.885   17.093 0.000000 17.09285 
1 1 1  -58   28    5 o  121.116   17.441  6537.43  1665.73   0.0000   0.0000  6537.43  1665.73  ?   ?   121.116   17.441 0.000000 17.44099 
1 1 1  -58   28    6 o  135.425   17.962  8240.15  1926.39   0.0000   0.0000  8240.15  1926.39  ?   ?   135.425   17.962 0.000000 17.96207 
1 1 1  -58   28    7 o  134.729   17.429  8170.26  1861.99 10224.22  6795.18  8003.52  1936.09  111.217   46.051  132.546   18.493 -21.32865 49.62560 
1 1 1  -58   28    8 o   69.969   31.753  928.191  3912.98  482.890  4871.80  1737.66  6568.45   72.570   33.819   80.949   38.210 -8.379105 51.02723 
1 1 1  -58   28    9 o   67.279   20.585  2205.27  1229.43  554.894  4853.93  2318.40  1270.87   70.839   33.253   68.772   20.906 2.067276 39.27892 
1 1 1  -58   28   10 o   48.291   19.032  853.900  1098.18 -1091.9000  4846.82  959.197  1127.50   64.406   31.052   49.786   19.383 14.62032 36.60549 
1 1 1  -58   28   11 o  184.484   21.855 17336.26  3210.07  6104.78  8046.65 19462.03  3500.70   79.302   38.646  194.128   22.634 -114.8259 44.78633 
1 1 1  -58   28   12 o   89.161   21.837  4295.64  1568.31  2299.09  5291.21  4487.94  1642.10   67.132   32.387   90.520   22.451 -23.38748 39.40741 
1 1 1  -58   28   13 f   51.004   21.086  1194.48  1421.49 -8830.4297  4085.15  2575.51  1516.24   42.294   21.534   65.454   23.011 -23.16049 31.51585 
1 1 1  -58   28   14 o   55.979   21.824  1905.85  1430.78  6776.44  6048.92  1617.20  1472.56   64.245   31.743   53.077   21.648 11.16758 38.42157 
1 1 1  -58   28   15 o   54.680   21.927  2075.84  1482.31 -7227.5630  6662.78  2560.30  1520.42   46.438   23.885   59.295   22.660 -12.85758 32.92360 
1 1 1  -58   30    1 f  121.945   18.786  6755.34  1800.38   0.0000   0.0000  6755.34  1800.38  ?   ?   121.945   18.786 0.000000 18.78599 
1 1 1  -58   30    2 o  153.853   19.178 10765.73  2343.74   0.0000   0.0000 10765.73  2343.74  ?   ?   153.853   19.178 0.000000 19.17774 
1 1 1  -58   30    3 o   63.210   19.550  1846.81  1105.51   0.0000   0.0000  1846.81  1105.51  ?   ?    63.210   19.550 0.000000 19.54993 
1 1 1  -58   30    4 f   69.425   20.349  2289.28  1221.19   0.0000   0.0000  2289.28  1221.19  ?   ?    69.425   20.349 0.000000 20.34855 
1 1 1  -58   30    5 o   40.042   17.047  184.964  972.253   0.0000   0.0000  184.964  972.253  ?   ?    40.042   17.047 0.000000 17.04728 
1 1 1  -58   30    6 o   53.472   19.582  1211.31  1110.80   0.0000   0.0000  1211.31  1110.80  ?   ?    53.472   19.582 0.000000 19.58186 
1 1 1  -58   30    7 o   51.823   25.828 -6509.5029  4353.11 -4506.6621  5426.33 -10125.6396  7291.31   61.216   30.212   61.640   31.089 -0.4241447 43.35074 
1 1 1  -58   30    8 o   89.028   22.228  4082.64  1601.91 -539.3290  7703.02  4291.56  1637.71   72.315   35.747   91.305   22.286 -18.98962 42.12508 
1 1 1  -58   30    9 o   73.848   22.601  2929.67  1481.98 -1089.4800  6528.90  3148.00  1521.70   66.465   32.866   76.391   22.799 -9.925827 39.99911 
1 1 1  -58   30   10 o   77.772   23.616  3453.08  1622.42  3047.02  7595.79  3472.50  1660.75   70.044   34.777   77.622   23.954 -7.577728 42.22860 
1 1 1  -58   30   11 o   39.644   18.034 -101.1321  1271.93  2157.08  6626.13 -187.5236  1296.03   64.195   31.973   39.364   18.020 24.83039 36.70153 
1 1 1  -58   30   12 o   70.859   23.612  3237.90  1591.46  5815.85  8091.09  3134.15  1623.17   63.177   31.969   69.271   23.839 -6.093914 39.87917 
1 1 1  -58   30   13 o  103.631   27.178  7873.11  2315.19  8525.22  8897.98  7825.75  2397.78   58.961   30.168  100.682   28.205 -41.72041 41.29874 
1 1 1  -58   32    1 o   53.596   20.129  1192.81  1187.29   0.0000   0.0000  1192.81  1187.29  ?   ?    53.596   20.129 0.000000 20.12913 
1 1 1  -58   32    2 o  151.472   21.137 11095.11  2528.80   0.0000   0.0000 11095.11  2528.80  ?   ?   151.472   21.137 0.000000 21.13696 
1 1 1  -58   32    3 o  108.336   21.761  5827.85  1847.76   0.0000   0.0000  5827.85  1847.76  ?   ?   108.336   21.761 0.000000 21.76113 
1 1 1  -58   32    4 o   72.528   21.904  2687.76  1398.51   0.0000   0.0000  2687.76  1398.51  ?   ?    72.528   21.904 0.000000 21.90412 
1 1 1  -58   32    5 o  130.075   20.787  8377.04  2121.50   0.0000   0.0000  8377.04  2121.50  ?   ?   130.075   20.787 0.000000 20.78668 
1 1 1  -58   32    6 o   60.234   30.434 -7667.4072  7167.61   0.0000   0.0000 -7667.4072  7167.61  ?   ?    60.234   30.434 0.000000 30.43366 
1 1 1  -58   32    7 o   92.633   22.918  4672.43  1714.36   0.0000   0.0000  4672.43  1714.36  ?   ?    92.633   22.918 0.000000 22.91837 
1 1 1  -58   32    8 o   71.860   22.967  2961.52  1513.65  1578.13 10678.30  2989.88  1529.09   67.750   34.526   72.083   23.088 -4.332741 41.53422 
1 1 1  -58   32    9 o   38.723   17.485 -26.2755  1169.04  4516.24 10022.98 -88.9236  1177.07   65.769   33.510   38.368   17.413 27.40018 37.76418 
1 1 1  -58   32   10 o   29.565   14.339 -1234.5050  1072.55  2602.14  8409.14 -1297.9510  1081.38   60.322   30.731   29.417   14.298 30.90417 33.89411 
1 1 1  -58   32   11 o   42.145   18.836  475.321  1318.83 -5832.2720 10082.47  585.121  1330.26   52.848   27.279   43.036   19.096 9.811775 33.29863 
1 1 1  -58   34    1 o   53.963   22.108  1204.34  1544.54   0.0000   0.0000  1204.34  1544.54  ?   ?    53.963   22.108 0.000000 22.10807 
1 1 1  -58   34    2 o   69.394   24.815  2766.55  1770.31   0.0000   0.0000  2766.55  1770.31  ?   ?    69.394   24.815 0.000000 24.81493 
1 1 1  -58   34    3 o   81.568   24.691  3885.74  1775.47   0.0000   0.0000  3885.74  1775.47  ?   ?    81.568   24.691 0.000000 24.69064 
1 1 1  -58   34    4 o   57.538   21.742  1715.79  1389.75   0.0000   0.0000  1715.79  1389.75  ?   ?    57.538   21.742 0.000000 21.74162 
1 1 1  -58   34    5 o   64.062   22.750  2359.34  1485.54   0.0000   0.0000  2359.34  1485.54  ?   ?    64.062   22.750 0.000000 22.75036 
1 1 1  -58   34    6 o   70.020   24.266  3083.85  1683.24   0.0000   0.0000  3083.85  1683.24  ?   ?    70.020   24.266 0.000000 24.26630 
1 1 1  -58   34    7 o   62.545   23.461  2482.83  1611.94   0.0000   0.0000  2482.83  1611.94  ?   ?    62.545   23.461 0.000000 23.46126 
1 1 1  -57    1    1 o  404.678   21.952 67432.18  7186.19 68216.88 10159.00 66646.30 10166.62  404.177   31.197  399.324   31.614 4.852081 44.41506 
1 1 1  -57    1    2 o  291.660   17.723 34924.00  4177.17 33499.14  5908.14 36348.16  5906.68  283.820   25.923  296.020   24.803 -12.20029 35.87771 
1 1 1  -57    1    3 o  210.854   9.3624 18089.86  1602.91 10103.42  1908.97 37180.70  2951.45  156.571   15.208  302.071   12.033 -145.5003 19.39269 
1 1 1  -57    1    4 o  267.228   19.653 29443.67  4234.33 29443.67  4234.33   0.0000   0.0000  267.228   19.653  ?   ?  0.000000 19.65276 
1 1 1  -57    1    5 o  355.656   25.440 52552.38  7298.12   0.0000   0.0000 52552.38  7298.12  ?   ?   355.656   25.440 0.000000 25.44014 
1 1 1  -57    1    6 o  583.916   28.802 141964.50 13655.43 138667.80 19345.84 145237.91 19277.72  567.686   42.273  581.955   41.060 -14.26892 58.93196 
1 1 1  -57    1    7 o  410.284   20.474 69306.51  6820.58 67546.48  9675.09 71045.35  9616.69  400.864   29.941  411.615   28.958 -10.75043 41.65380 
1 1 1  -57    1    8 o  246.525   13.424 24911.56  2676.99 19821.61  3803.02 29910.55  3768.89  218.014   21.775  269.388   17.322 -51.37347 27.82458 
1 1 1  -57    1    9 o  404.206   20.405 67645.95  6675.43 70818.53  9458.69 64497.69  9422.38  409.818   28.604  390.316   29.959 19.50211 41.42198 
1 1 1  -57    1   10 o   82.509   10.235  2819.46  670.978  2829.61  1008.95  2811.41  898.449   81.660   15.788   81.712   14.048 -0.5208588E-01 21.13287 
1 1 1  -57    1   11 o  264.845   14.396 28878.74  3084.21 28446.82  4380.97 29303.16  4342.73  260.874   20.857  264.979   20.339 -4.105469 29.13248 
1 1 1  -57    1   12 o  303.246   16.301 38079.63  3998.96 35034.97  5674.06 41084.53  5636.90  287.276   24.561  312.368   22.373 -25.09146 33.22349 
1 1 1  -57    1   13 o   72.465   12.898  2223.24  731.115  1761.41  1014.76  2721.75  1054.28   64.206   18.472   79.525   16.851 -15.31932 25.00359 
1 1 1  -57    1   14 o  307.443   13.426 39143.54  3351.60 40181.74  5954.59 38662.10  4054.91  303.971   24.330  303.617   16.510 0.3536377 29.40273 
1 1 1  -57    1   15 o  112.852   8.2334  5250.53  749.232  3949.86  1586.52  5623.87  849.984   93.784   21.317  116.635   9.0459 -22.85144 23.15736 
1 1 1  -57    1   16 o  133.084   8.2653  7315.16  888.729  6311.33  1735.55  7671.94  1034.68  119.578   18.470  135.959   9.4309 -16.38030 20.73854 
1 1 1  -57    1   17 o   44.572   7.0216  835.570  245.711  791.844  342.644  881.859  352.543   42.799   10.034   45.219   9.8781 -2.420334 14.08062 
1 1 1  -57    1   18 o   50.037   7.1858  1052.83  283.568  761.436  414.196  1309.90  389.037   41.795   11.727   55.464   8.9426 -13.66934 14.74801 
1 1 1  -57    1   19 o  216.119   9.4659 19628.06  1661.09 19535.82  2351.36 19719.94  2346.92  211.292   13.781  212.398   13.681 -1.106369 19.41893 
1 1 1  -57    1   20 o   19.330   8.3115  -5.6980  235.294  598.127  332.699 -609.9409  332.814   36.868   10.568   15.873   7.7622 20.99532 13.11259 
1 1 1  -57    1   21 o   17.575   8.1476 -213.2900  277.030 -180.3648  407.047 -241.7005  378.111   22.592   10.248   20.924   9.6356 1.667414 14.06651 
1 1 1  -57    1   22 f   69.511   7.0503  2063.94  392.416  2056.28  562.447  2071.20  547.764   67.365   10.636   67.848   10.264 -0.4831009 14.78034 
1 1 1  -57    1   23 o   21.655   8.7304  122.393  236.353 -254.2387  355.159  421.784  316.653   19.504   9.1035   30.703   10.532 -11.19910 13.92076 
1 1 1  -57    1   24 o   69.210   7.9726  2170.81  439.843  2732.25  629.765  1636.14  614.577   74.869   10.661   54.345   13.879 20.52394 17.50030 
1 1 1  -57    3    1 o  232.732   15.399 22210.18  2893.47 16575.12  4059.55 28029.01  4125.21  198.907   25.739  260.833   19.622 -61.92589 32.36552 
1 1 1  -57    3    2 o  411.776   18.529 69423.23  6195.15 71060.51  7464.96 65800.54 11104.08  415.268   22.220  395.252   34.960 20.01663 41.42373 
1 1 1  -57    3    3 o   22.551   9.0596   93.372  253.537   31.760  259.802  1324.95  1161.55   21.425   8.9488   59.193   20.172 -37.76775 22.06774 
1 1 1  -57    3    4 o  496.841   35.580 104139.00 14258.75 104139.00 14258.75   0.0000   0.0000  496.841   35.580  ?   ?  0.000000 35.58038 
1 1 1  -57    3    5 o  255.115   12.868 26616.53  2656.92 30597.02  3830.26 22924.94  3688.64  272.793   17.383  235.560   19.460 37.23373 26.09294 
1 1 1  -57    3    6 f  104.695   8.0712  4485.49  680.828  4230.65  1051.11  4669.68  893.618  100.975   13.131  106.558   10.463 -5.582703 16.78997 
1 1 1  -57    3    7 o  297.504   15.199 36310.22  3659.19 38178.16  5251.48 34547.43  5101.53  303.548   21.445  288.544   21.939 15.00415 30.67880 
1 1 1  -57    3    8 o  607.993   30.348 155325.80 14981.93 152154.00 21258.51 158455.80 21117.48  588.831   44.800  602.254   43.476 -13.42316 62.42757 
1 1 1  -57    3    9 o  214.956   12.141 18935.46  2110.35 18942.05  3061.53 18929.50  2912.97  213.860   17.792  213.993   16.902 -0.1332550 24.54082 
1 1 1  -57    3   10 o  461.129   23.033 88529.89  8624.00 91924.17 12259.08 85204.38 12134.24  463.018   32.820  444.957   33.839 18.06070 47.14116 
1 1 1  -57    3   11 o  178.459   11.361 13073.38  1637.61 12132.69  2398.91 13894.30  2241.00  170.565   17.573  183.224   15.201 -12.65852 23.23514 
1 1 1  -57    3   12 o   66.569   8.1432  1833.64  430.978  804.792  1070.48  2032.67  470.821   50.778   19.105   70.094   8.4423 -19.31561 20.88719 
1 1 1  -57    3   13 o  134.272   8.0915  7386.37  878.053  7428.33  1742.12  7372.08  1016.62  132.793   16.514  133.930   9.4083 -1.136795 19.00578 
1 1 1  -57    3   14 o  155.649   8.5549  9947.84  1077.04  9850.41  2088.02  9983.16  1257.19  152.328   17.182  155.605   10.003 -3.277618 19.88181 
1 1 1  -57    3   15 o  205.917   10.057 17487.32  1681.51 15971.76  3116.38 18109.78  1997.18  191.355   20.370  208.611   11.840 -17.25580 23.56118 
1 1 1  -57    3   16 f  168.668   9.8423 11815.06  1342.07  8539.29  2516.36 13117.27  1586.56  136.168   23.615  177.228   11.081 -41.05945 26.08577 
1 1 1  -57    3   17 o  186.042   9.8472 14436.14  1482.22 14672.96  2819.28 14345.67  1742.47  180.792   19.515  184.457   11.695 -3.664276 22.75051 
1 1 1  -57    3   18 o  123.932   8.7773  6418.02  877.536  6190.85  1807.13  6488.12  1003.84  115.257   20.037  124.068   10.051 -8.810852 22.41704 
1 1 1  -57    3   19 o   77.367   9.5593  2551.90  587.737  2665.44  1570.85  2533.42  633.770   72.437   23.423   76.736   10.443 -4.299759 25.64519 
1 1 1  -57    3   20 o   51.859   10.932  1195.39  445.798  2747.68  1548.61  1055.13  465.503   71.530   23.266   48.364   11.928 23.16666 26.14601 
1 1 1  -57    3   21 o   82.310   9.7155  2953.17  636.798  1656.97  1601.73  3196.51  694.003   56.995   22.815   85.372   10.215 -28.37661 24.99759 
1 1 1  -57    3   22 o   62.740   7.5011  1697.32  374.550  2271.71  523.194  1093.46  536.442   71.720   9.1960   47.419   13.361 24.30192 16.21964 
1 1 1  -57    3   23 o   17.472   8.3035 -331.5369  320.319  794.051  1856.72 -366.0650  325.194   44.641   20.829   17.298   8.2610 27.34343 22.40719 
1 1 1  -57    3   24 o   87.742   7.9311  3481.44  558.928  3385.96  770.943  3587.22  811.504   81.541   12.003   83.482   12.344 -1.940994 17.21774 
1 1 1  -57    5    1 o  305.297   15.429 38160.10  3812.33 39053.88  4551.07 36057.61  6980.18  308.349   18.259  293.411   29.708 14.93820 34.87083 
1 1 1  -57    5    2 o  586.605   26.578 142232.70 12659.15 148157.70 15388.94 129831.40 22263.67  595.566   31.939  545.821   50.819 49.74481 60.02261 
1 1 1  -57    5    3 o  686.579   35.183 198172.70 19547.70 201511.30 27126.05 194566.09 28194.11  681.223   49.376  666.511   52.523 14.71252 72.08762 
1 1 1  -57    5    4 o  150.049   13.915  9267.99  1676.01  9267.99  1676.01   0.0000   0.0000  150.049   13.915  ?   ?  0.000000 13.91474 
1 1 1  -57    5    5 o  284.364   21.564 33471.10  4941.98 33471.10  4941.98   0.0000   0.0000  284.364   21.564  ?   ?  0.000000 21.56416 
1 1 1  -57    5    6 o  797.363   41.066 272876.50 26497.15 258559.30 37588.70 287018.19 37357.63  750.494   62.246  796.673   58.153 -46.17896 85.18385 
1 1 1  -57    5    7 o  254.683   18.841 26806.05  3868.60   0.0000   0.0000 26806.05  3868.60  ?   ?   254.683   18.841 0.000000 18.84119 
1 1 1  -57    5    8 o  134.554   9.1138  7407.77  989.839  8680.08  1568.80  6566.25  1275.86  145.093   13.470  126.163   12.624 18.93043 18.46101 
1 1 1  -57    5    9 o  124.203   9.4284  6323.18  943.748  6208.81  1490.93  6399.64  1219.06  122.099   15.380  124.558   12.211 -2.459015 19.63760 
1 1 1  -57    5   10 o  288.607   12.683 34086.82  2972.05 27875.38  5316.17 36910.80  3584.55  256.627   25.866  299.911   14.720 -43.28427 29.76069 
1 1 1  -57    5   11 o  148.242   10.334  9019.57  1236.08  9771.62  1849.29  8412.25  1661.85  153.437   15.037  142.359   14.583 11.07861 20.94666 
1 1 1  -57    5   12 o  142.507   8.1072  8309.28  934.209  7255.39  1857.25  8666.25  1080.91  131.085   17.919  145.386   9.2040 -14.30081 20.14419 
1 1 1  -57    5   13 o  180.724   8.7586 13352.41  1285.26 15955.51  2472.05 12388.09  1504.61  195.477   15.707  173.454   10.736 22.02333 19.02592 
1 1 1  -57    5   14 o  156.174   8.6434 10023.42  1091.79 10175.55  2140.13  9969.89  1269.39  154.600   17.348  155.408   10.115 -0.8082275 20.08143 
1 1 1  -57    5   15 o  119.120   8.0152  5847.47  770.728  5552.38  1669.92  5927.35  868.797  112.362   18.980  119.703   9.0047 -7.341438 21.00755 
1 1 1  -57    5   16 o   82.853   10.029  2884.84  660.932  2931.87  1392.06  2871.15  750.973   79.825   21.142   82.202   11.572 -2.377693 24.10153 
1 1 1  -57    5   17 o   81.485   9.8771  2802.09  640.145  2955.25  1444.46  2764.66  714.100   79.069   21.797   80.493   11.232 -1.423851 24.52051 
1 1 1  -57    5   18 o   69.657   11.396  2100.08  622.243  4081.55  1481.53  1675.69  685.650   92.832   20.227   61.167   14.095 31.66506 24.65346 
1 1 1  -57    5   19 f  103.325   10.286  4561.54  851.446  5442.13  1816.12  4313.46  963.949  104.516   22.092   99.470   12.190 5.046288 25.23170 
1 1 1  -57    5   20 o   50.314   13.122  1160.59  541.645  1014.66  1587.68  1179.82  576.214   53.064   22.139   50.571   13.695 2.493828 26.03293 
1 1 1  -57    5   21 o   35.941   13.197  520.966  504.999  2237.09  1670.71  348.407  529.781   62.210   23.759   33.206   13.177 29.00395 27.16808 
1 1 1  -57    5   22 o   39.702   13.572  741.135  525.858  1280.31  1823.68  692.239  549.185   50.854   22.472   38.826   13.828 12.02795 26.38523 
1 1 1  -57    5   23 o   41.240   13.904  880.869  551.766  1597.73  2010.01  822.447  573.809   48.262   22.221   40.043   14.148 8.218838 26.34306 
1 1 1  -57    7    1 o  385.026   30.893 62058.49  9576.74   0.0000   0.0000 62058.49  9576.74  ?   ?   385.026   30.893 0.000000 30.89312 
1 1 1  -57    7    2 o  394.050   31.733 65138.27 10067.04   0.0000   0.0000 65138.27 10067.04  ?   ?   394.050   31.733 0.000000 31.73284 
1 1 1  -57    7    3 o  357.286   18.023 52429.29  5211.61 45446.84  6913.26 61621.13  7931.96  330.484   25.972  385.275   25.500 -54.79037 36.39756 
1 1 1  -57    7    4 o  272.268   20.919 30659.59  4589.36 30659.59  4589.36   0.0000   0.0000  272.268   20.919  ?   ?  0.000000 20.91948 
1 1 1  -57    7    5 o  325.790   24.346 44132.23  6393.78 44132.23  6393.78   0.0000   0.0000  325.790   24.346  ?   ?  0.000000 24.34622 
1 1 1  -57    7    6 o  421.420   30.864 74814.74 10487.70 74814.74 10487.70   0.0000   0.0000  421.420   30.864  ?   ?  0.000000 30.86442 
1 1 1  -57    7    7 o  209.759   11.648 18008.27  1976.07 18408.32  2947.42 17681.63  2663.29  211.060   17.352  207.107   15.960 3.952469 23.57637 
1 1 1  -57    7    8 o  464.722   34.318 92383.68 12858.01 92383.68 12858.01   0.0000   0.0000  464.722   34.318  ?   ?  0.000000 34.31828 
1 1 1  -57    7    9 o  194.907   11.652 15574.29  1835.53 13320.93  2764.52 17350.85  2454.68  178.598   19.374  205.168   14.835 -26.56941 24.40160 
1 1 1  -57    7   10 f  164.227   10.036 11048.16  1331.84 12482.89  2084.17 10057.89  1731.50  173.715   14.921  156.024   13.810 17.69183 20.33118 
1 1 1  -57    7   11 o  254.372   21.004 27155.97  4299.38 27155.97  4299.38   0.0000   0.0000  254.372   21.004  ?   ?  0.000000 21.00396 
1 1 1  -57    7   12 o  139.219   9.9283  7967.69  1114.95  7858.85  1824.47  8032.57  1408.57  136.700   16.790  139.266   12.593 -2.565491 20.98782 
1 1 1  -57    7   13 o  143.956   10.358  8547.44  1202.65  7196.14  1958.96  9364.82  1523.56  129.488   19.215  150.165   12.612 -20.67747 22.98432 
1 1 1  -57    7   14 o  139.926   10.290  8105.59  1160.84  6931.91  1937.10  8763.27  1450.05  126.165   19.541  144.890   12.446 -18.72416 23.16824 
1 1 1  -57    7   15 o   14.896   7.3074 -602.4878  302.028 -1631.9320  999.232 -498.9801  316.848   28.388   13.785   16.357   7.8995 12.03136 15.88812 
1 1 1  -57    7   16 o   24.111   9.9377   78.922  314.421 -921.7610  1121.17  164.340  327.566   34.658   16.176   26.262   10.380 8.395906 19.21993 
1 1 1  -57    7   17 o   94.606   10.460  3785.71  790.094 -228.4089  1582.52  5118.49  911.875   46.470   20.711  110.219   10.309 -63.74963 23.13510 
1 1 1  -57    7   18 o   31.405   11.400  356.042  375.295 -981.7563  1316.12  474.448  391.551   37.178   17.408   34.422   11.712 2.755924 20.98135 
1 1 1  -57    7   19 o  106.809   9.1111  4829.38  782.608  6244.36  1890.65  4536.81  859.719  112.232   21.530  102.849   10.439 9.383102 23.92764 
1 1 1  -57    7   20 o   48.227   13.201  1070.52  532.000  1595.22  1646.10  1009.32  562.169   58.107   23.174   46.803   13.831 11.30354 26.98775 
1 1 1  -57    7   21 o   53.268   12.877  1333.97  550.783  1995.68  1807.00  1266.19  578.302   59.151   24.036   51.534   13.616 7.617367 27.62494 
1 1 1  -57    7   22 o   45.441   12.945  1010.19  500.728 -1153.8590  1923.66  1167.47  518.606   39.244   19.073   48.871   12.885 -9.627148 23.01760 
1 1 1  -57    7   23 o   48.657   13.737  1255.35  566.512  924.306  2165.02  1279.68  586.963   44.470   21.260   48.867   14.046 -4.397003 25.48054 
1 1 1  -57    9    4 o  243.640   19.542 24544.28  3833.45 24544.28  3833.45   0.0000   0.0000  243.640   19.542  ?   ?  0.000000 19.54221 
1 1 1  -57    9    5 o   93.590   12.826  3641.58  949.012  3641.58  949.012   0.0000   0.0000   93.590   12.826  ?   ?  0.000000 12.82573 
1 1 1  -57    9    6 o  239.042   19.264 23661.31  3707.21 23661.31  3707.21   0.0000   0.0000  239.042   19.264  ?   ?  0.000000 19.26350 
1 1 1  -57    9    7 o  426.217   31.521 77066.82 10831.24 77066.82 10831.24   0.0000   0.0000  426.217   31.521  ?   ?  0.000000 31.52106 
1 1 1  -57    9    8 o  217.626   16.593 19572.01  2910.00   0.0000   0.0000 19572.01  2910.00  ?   ?   217.626   16.593 0.000000 16.59322 
1 1 1  -57    9    9 o   35.886   10.018  540.303  303.037 -324.8488  761.232  703.225  330.341   31.988   14.303   40.716   10.052 -8.728516 17.48195 
1 1 1  -57    9   10 o  129.829   7.3222  6885.81  768.725  9333.02  1669.80  6227.66  865.947  150.176   13.850  123.281   8.7068 26.89519 16.35932 
1 1 1  -57    9   11 o  111.707   7.2230  5105.37  651.635  5221.99  1450.29  5075.87  729.409  111.216   16.566  111.267   8.1298 -0.5133820E-01 18.45313 
1 1 1  -57    9   12 o  106.980   7.5566  4692.75  652.179  4575.48  1451.81  4722.40  729.978  103.334   17.955  107.187   8.4561 -3.853287 19.84659 
1 1 1  -57    9   13 o   82.937   7.8318  2837.19  521.172  3456.56  1291.76  2716.77  569.588   88.995   18.481   80.971   8.8055 8.024338 20.47119 
1 1 1  -57    9   14 o  121.194   8.0223  6048.00  784.972  5845.39  1834.71  6093.40  868.474  114.936   20.407  121.462   8.8673 -6.525795 22.25024 
1 1 1  -57    9   15 o  123.447   8.6389  6306.92  860.462  5055.80  1819.60  6667.28  976.550  105.107   22.026  126.674   9.5649 -21.56717 24.01283 
1 1 1  -57    9   16 o  261.838   12.284 28855.35  2611.66 25248.58  4817.03 30356.97  3108.13  230.092   26.253  266.463   14.419 -36.37115 29.95254 
1 1 1  -57    9   17 o   56.526   12.027  1399.91  535.028  559.147  1404.96  1542.52  578.626   50.077   20.854   59.279   12.419 -9.202282 24.27198 
1 1 1  -57    9   18 o   97.306   9.7146  4013.67  757.286  2609.43  1794.58  4317.90  835.301   72.019   25.051  100.671   10.367 -28.65231 27.11099 
1 1 1  -57    9   19 o   97.562   9.9279  4077.20  775.503  369.515  1719.65  5023.73  868.871   50.016   21.972  108.351   9.9885 -58.33433 24.13599 
1 1 1  -57    9   20 o   40.292   13.356  718.782  509.424  2687.04  1727.74  531.376  533.125   68.336   24.506   36.745   13.549 31.59032 28.00270 
1 1 1  -57    9   21 o   38.067   13.809  626.645  550.489 -386.2734  1874.58  722.238  575.880   43.608   20.532   40.046   14.171 3.562088 24.94736 
1 1 1  -57    9   22 o   39.065   13.429  736.248  514.993 -2042.7300  2043.34  924.746  532.172   36.891   18.268   43.014   13.604 -6.122715 22.77686 
1 1 1  -57    9   23 o   32.223   13.530  376.345  598.591 -602.5324  2268.47  449.605  620.586   38.930   19.272   33.446   13.888 5.483952 23.75480 
1 1 1  -57   11    4 o  350.157   27.332 51360.74  7709.33 51360.74  7709.33   0.0000   0.0000  350.157   27.332  ?   ?  0.000000 27.33192 
1 1 1  -57   11    5 o   97.497   14.682  3974.83  1126.26  3974.83  1126.26   0.0000   0.0000   97.497   14.682  ?   ?  0.000000 14.68229 
1 1 1  -57   11    6 o   54.766   7.9920  1246.34  344.919  575.432  689.986  1469.85  398.250   41.988   15.425   59.490   8.4851 -17.50231 17.60437 
1 1 1  -57   11    7 o  343.736   17.627 48746.11  4903.08 49626.01  7128.30 47956.00  6754.78  343.777   25.723  338.326   24.761 5.451691 35.70426 
1 1 1  -57   11    8 o  254.992   19.164 27012.94  3938.71   0.0000   0.0000 27012.94  3938.71  ?   ?   254.992   19.164 0.000000 19.16360 
1 1 1  -57   11    9 o  544.643   21.505 123529.80  9510.14 132144.41 16725.45 119414.00 11560.91  548.123   37.812  531.154   26.894 16.96948 46.40036 
1 1 1  -57   11   10 o  195.591   8.8108 15610.59  1399.28 20430.71  2741.18 13911.97  1627.26  222.126   15.292  184.074   10.937 38.05173 18.80006 
1 1 1  -57   11   11 o  156.672   8.0049 10043.16  1014.93 14248.60  2118.29  8790.08  1156.29  185.310   14.186  146.252   9.7936 39.05746 17.23821 
1 1 1  -57   11   12 f  126.703   7.8042  6584.01  798.974  8145.16  1799.42  6200.64  891.694  138.839   16.270  122.735   9.0107 16.10491 18.59878 
1 1 1  -57   11   13 o  155.504   8.5632  9946.16  1077.06  8957.58  2210.41 10253.95  1233.38  143.733   19.439  157.618   9.6841 -13.88449 21.71727 
1 1 1  -57   11   14 f   76.489   8.6656  2436.20  528.698  222.945  1325.04  2855.28  576.584   47.259   20.001   82.875   8.6981 -35.61602 21.81049 
1 1 1  -57   11   15 o   45.489   12.088  897.261  454.102  461.534  1258.84  962.442  486.884   48.127   19.866   47.062   12.522 1.065556 23.48284 
1 1 1  -57   11   16 o  242.685   11.809 24800.44  2327.00 21410.96  4379.53 26133.78  2746.83  210.451   26.196  247.242   13.737 -36.79163 29.57958 
1 1 1  -57   11   17 o  184.804   10.420 14398.41  1557.25 11602.95  3088.43 15351.42  1803.27  152.293   25.903  189.894   11.753 -37.60048 28.44492 
1 1 1  -57   11   18 o   46.536   12.932  968.591  506.206  1786.17  1586.89  875.972  534.110   62.188   23.288   44.486   13.559 17.70205 26.94768 
1 1 1  -57   11   19 o   35.208   12.956  468.828  487.104  1908.26  1406.39  272.617  519.243   61.567   22.107   32.254   12.962 29.31351 25.62693 
1 1 1  -57   11   20 o   38.432   14.493  583.918  616.805  2804.94  1875.28  314.490  653.147   67.750   25.326   34.841   14.337 32.90833 29.10294 
1 1 1  -57   11   21 o   26.754   11.859 -45.2636  511.788 -981.3284  1994.47   20.716  529.518   41.365   19.937   27.977   12.244 13.38800 23.39680 
1 1 1  -57   11   22 o   41.784   15.677  899.731  719.797 -1151.0980  2265.20  1130.07  759.143   39.882   19.652   45.425   16.249 -5.542915 25.49957 
1 1 1  -57   11   23 o   38.862   14.863  846.264  654.414  1295.37  2511.15  813.541  677.836   42.905   21.052   38.334   15.000 4.571743 25.84914 
1 1 1  -57   13    2 o  396.970   33.539 66931.83 10709.29   0.0000   0.0000 66931.83 10709.29  ?   ?   396.970   33.539 0.000000 33.53892 
1 1 1  -57   13    3 o  233.740   27.049 23054.47  5038.79   0.0000   0.0000 23054.47  5038.79  ?   ?   233.740   27.049 0.000000 27.04918 
1 1 1  -57   13    4 o  130.051   29.649  7366.83  3061.33   0.0000   0.0000  7366.83  3061.33  ?   ?   130.051   29.649 0.000000 29.64935 
1 1 1  -57   13    5 o  542.703   31.389 124816.10 13772.65 100880.40 19898.34 146828.59 19082.21  469.852   53.089  580.606   40.735 -110.7542 66.91597 
1 1 1  -57   13    6 o  550.485   28.930 127956.10 12885.82 120972.30 18542.81 134478.50 17919.76  522.127   44.152  554.778   40.050 -32.65131 59.61052 
1 1 1  -57   13    7 o  207.737   14.207 17775.34  2382.01  9523.62  3636.34 23977.54  3152.57  147.079   31.404  240.936   16.209 -93.85727 35.34059 
1 1 1  -57   13    8 o  183.605   15.232 13955.48  2250.25   0.0000   0.0000 13955.48  2250.25  ?   ?   183.605   15.232 0.000000 15.23168 
1 1 1  -57   13    9 o   93.918   10.165  3646.59  762.801  3115.48  1521.33  3824.95  881.635   84.704   21.943   95.973   11.545 -11.26897 24.79497 
1 1 1  -57   13   10 o  335.149   14.671 46387.36  3992.39 40682.94  7278.68 48842.12  4774.75  304.778   29.793  342.406   17.229 -37.62851 34.41639 
1 1 1  -57   13   11 o  304.155   13.205 38224.13  3261.11 36987.04  6005.87 38741.37  3883.46  291.338   25.650  304.712   15.750 -13.37393 30.09980 
1 1 1  -57   13   12 o   43.835   9.8780  820.738  343.159  1514.73  1211.00  760.147  357.826   60.960   20.598   42.152   10.495 18.80790 23.11738 
1 1 1  -57   13   13 o  152.544   8.8620  9599.65  1092.92  8854.61  2336.46  9808.33  1236.54  141.477   20.974  153.884   9.9497 -12.40611 23.21466 
1 1 1  -57   13   14 o  135.184   8.6529  7559.93  944.805  6441.96  2144.94  7829.06  1052.40  118.236   23.171  137.321   9.4969 -19.08495 25.04156 
1 1 1  -57   13   15 o   28.741   11.135  229.345  370.664 -1900.0920  1397.46  390.494  384.434   34.597   16.679   32.568   11.573 2.028206 20.30029 
1 1 1  -57   13   16 o  109.288   8.9632  4995.29  788.375  6984.59  2042.37  4646.97  854.612  122.011   21.396  104.948   10.156 17.06315 23.68383 
1 1 1  -57   13   17 o   84.340   9.7296  3021.93  654.072 -181.1524  1922.68  3441.13  695.557   49.996   22.513   90.091   9.6592 -40.09488 24.49747 
1 1 1  -57   13   18 o  122.481   9.7173  6383.60  958.458  7109.93  2373.78  6242.13  1047.65  114.607   26.094  120.449   10.828 -5.841660 28.25119 
1 1 1  -57   13   19 o   30.722   12.431  236.071  481.025  1929.20  1867.31  115.731  497.826   61.428   24.619   29.213   12.306 32.21498 27.52296 
1 1 1  -57   13   20 o   60.136   14.315  1743.94  688.908 -639.8848  2213.91  1999.51  724.897   45.745   21.766   64.580   14.210 -18.83497 25.99367 
1 1 1  -57   13   21 f   35.640   14.170  490.778  613.661 -1597.8781  1917.50  729.109  647.727   37.659   18.461   39.728   14.878 -2.068962 23.71021 
1 1 1  -57   13   22 f   44.226   16.282  1115.96  769.397  4746.65  2707.02  796.889  802.494   59.526   26.767   39.685   16.056 19.84135 31.21341 
1 1 1  -57   15    1 o  434.144   35.759 80807.61 12493.35   0.0000   0.0000 80807.61 12493.35  ?   ?   434.144   35.759 0.000000 35.75917 
1 1 1  -57   15    2 o  224.384   26.588 21288.20  4749.89   0.0000   0.0000 21288.20  4749.89  ?   ?   224.384   26.588 0.000000 26.58797 
1 1 1  -57   15    3 o  337.799   31.346 48597.68  8499.75   0.0000   0.0000 48597.68  8499.75  ?   ?   337.799   31.346 0.000000 31.34632 
1 1 1  -57   15    4 f  298.652   15.651 36703.29  3782.07   0.0000   0.0000 36703.29  3782.07  ?   ?   298.652   15.651 0.000000 15.65090 
1 1 1  -57   15    5 o  131.678   11.587  7138.44  1226.26  1002.89  2384.91  9343.47  1429.73   68.907   27.749  150.754   11.774 -81.84631 30.14373 
1 1 1  -57   15    6 o  200.758   14.130 16614.32  2288.58 10616.70  3686.94 20373.70  2919.00  155.641   30.264  221.887   16.316 -66.24599 34.38239 
1 1 1  -57   15    7 o  193.268   13.469 15400.00  2100.47 10726.70  3333.25 18478.07  2705.17  157.199   27.093  211.189   15.892 -53.98976 31.40960 
1 1 1  -57   15    8 o  174.274   15.256 12619.42  2137.10   0.0000   0.0000 12619.42  2137.10  ?   ?   174.274   15.256 0.000000 15.25629 
1 1 1  -57   15    9 o  312.013   18.161 40734.90  4581.00 35198.14  6785.90 45370.92  6209.44  282.795   30.011  326.071   23.613 -43.27603 38.18717 
1 1 1  -57   15   10 o  254.447   11.376 26636.58  2350.39 27559.82  4582.79 26307.05  2737.90  253.140   22.532  251.875   13.436 1.264557 26.23362 
1 1 1  -57   15   11 o  129.154   10.444  6909.99  1085.91  5445.74  2116.69  7433.03  1265.08  109.823   24.374  133.631   11.780 -23.80818 27.07087 
1 1 1  -57   15   12 o  122.148   8.2465  6149.59  813.106  5337.46  2069.23  6297.89  884.233  107.946   24.206  123.473   8.8790 -15.52755 25.78279 
1 1 1  -57   15   13 f   85.973   8.4272  3069.32  580.713  1099.19  1695.74  3331.06  618.085   59.630   23.603   89.554   8.6061 -29.92391 25.12276 
1 1 1  -57   15   14 o   34.722   12.305  447.587  434.384 -462.0659  1696.60  511.401  449.362   47.085   21.180   36.344   12.541 10.74109 24.61440 
1 1 1  -57   15   15 o   20.463   9.5086 -322.8703  380.690  199.064  1544.47 -356.6320  392.810   49.074   21.198   20.526   9.5781 28.54808 23.26113 
1 1 1  -57   15   16 o   60.100   11.775  1580.80  554.073  851.186  2136.82  1633.39  573.695   59.043   25.208   61.039   12.003 -1.995430 27.91969 
1 1 1  -57   15   17 f   97.923   9.8874  4084.45  775.383  3339.66  2286.28  4181.25  824.232   77.828   28.155   98.831   10.429 -21.00299 30.02430 
1 1 1  -57   15   18 o   57.725   13.480  1528.60  620.384 -2289.9641  2161.29  1871.48  647.638   41.781   20.285   64.318   12.851 -22.53746 24.01306 
1 1 1  -57   15   19 o  117.030   10.363  5985.06  974.531  2477.61  2578.46  6569.59  1052.61   64.354   27.588  122.362   10.702 -58.00816 29.59131 
1 1 1  -57   15   20 o  164.034   15.427 13196.91  2030.57 13786.42  3918.21 12980.44  2374.28  118.725   36.819  155.810   19.172 -37.08418 41.51146 
1 1 1  -57   15   21 o   50.505   16.796  1437.72  805.366  1187.33  2892.07  1458.77  838.535   49.106   23.752   50.582   17.140 -1.475761 29.29026 
1 1 1  -57   15   22 o   20.288   9.9222 -767.2460  544.161 -3050.2581  3003.92 -689.7863  553.315   36.699   18.664   20.985   10.206 15.71422 21.27240 
1 1 1  -57   17    1 o  267.201   27.820 30350.06  5947.35   0.0000   0.0000 30350.06  5947.35  ?   ?   267.201   27.820 0.000000 27.82040 
1 1 1  -57   17    2 o  541.203   44.901 131376.00 19552.93   0.0000   0.0000 131376.00 19552.93  ?   ?   541.203   44.901 0.000000 44.90076 
1 1 1  -57   17    3 o  383.771   34.933 63986.00 10766.39   0.0000   0.0000 63986.00 10766.39  ?   ?   383.771   34.933 0.000000 34.93339 
1 1 1  -57   17    4 o  100.259   10.561  4150.70  846.812   0.0000   0.0000  4150.70  846.812  ?   ?   100.259   10.561 0.000000 10.56106 
1 1 1  -57   17    5 o   67.126   10.096  1880.87  533.258  4019.76  1431.88  1536.44  574.591   96.893   18.879   60.188   12.176 36.70505 22.46453 
1 1 1  -57   17    6 o  157.530   12.704 10248.57  1611.10  6989.60  2858.59 11765.66  1950.37  125.474   28.683  168.470   14.396 -42.99599 32.09345 
1 1 1  -57   17    7 o  178.202   13.047 13130.72  1874.68 10714.60  3141.79 14466.57  2336.13  156.786   25.560  186.395   15.578 -29.60883 29.93316 
1 1 1  -57   17    8 o  146.074   14.362  8907.56  1681.37   0.0000   0.0000  8907.56  1681.37  ?   ?   146.074   14.362 0.000000 14.36161 
1 1 1  -57   17    9 o  262.997   16.804 29065.50  3569.61 23548.01  5509.59 33057.04  4686.17  227.963   30.533  278.016   20.912 -50.05319 37.00783 
1 1 1  -57   17   10 o  132.117   12.298  7287.69  1304.16  3551.89  2340.20  8970.55  1570.67   88.751   28.577  146.348   13.365 -57.59634 31.54839 
1 1 1  -57   17   11 o  141.121   11.039  8289.46  1254.86  6194.07  2409.33  9069.46  1469.98  115.397   26.299  147.180   12.416 -31.78249 29.08291 
1 1 1  -57   17   12 o  317.152   14.666 42490.93  3776.70 37004.96  7197.48 44575.32  4436.53  274.331   32.973  322.305   17.013 -47.97473 37.10320 
1 1 1  -57   17   13 o   54.176   10.444  1259.16  442.777  647.267  1758.65  1300.57  457.515   55.861   23.303   55.038   10.623 0.8234138 25.61011 
1 1 1  -57   17   14 o  118.397   9.1354  5849.19  871.437  3062.66  2367.02  6286.09  937.268   79.693   28.673  122.636   9.4863 -42.94347 30.20161 
1 1 1  -57   17   15 o   52.743   11.478  1218.13  477.607  1615.74  1878.84  1190.66  493.829   63.502   24.937   52.023   11.943 11.47932 27.64906 
1 1 1  -57   17   16 o   57.916   12.314  1488.53  561.272  5763.76  2062.90  1146.74  583.276  106.123   24.444   50.465   13.826 55.65804 28.08341 
1 1 1  -57   17   17 o   90.870   10.418  3562.28  754.815  4740.81  2444.92  3438.12  793.581   88.357   29.258   88.829   11.255 -0.4724960 31.34849 
1 1 1  -57   17   18 o   24.145   11.158 -333.5065  513.572  1225.10  2188.36 -424.3519  528.327   56.953   24.908   23.700   11.076 33.25316 27.25994 
1 1 1  -57   17   19 o   80.602   17.740  3344.06  1129.52  2059.38  2824.44  3588.63  1232.35   59.514   26.996   82.458   18.821 -22.94445 32.90903 
1 1 1  -57   17   20 o   48.109   17.783  1255.90  919.461 -1273.9700  2844.66  1551.04  971.615   44.300   21.866   52.185   18.413 -7.885494 28.58586 
1 1 1  -57   17   21 o   89.482   18.989  4882.54  1336.98  4099.82  3561.40  5010.95  1442.48   52.630   25.662   87.798   20.591 -35.16785 32.90148 
1 1 1  -57   19    1 o  207.559   27.904 18656.19  4583.52   0.0000   0.0000 18656.19  4583.52  ?   ?   207.559   27.904 0.000000 27.90378 
1 1 1  -57   19    2 o  207.526   29.549 18808.44  4838.45   0.0000   0.0000 18808.44  4838.45  ?   ?   207.526   29.549 0.000000 29.54864 
1 1 1  -57   19    3 o   61.053   26.744 -364.7337  2531.89   0.0000   0.0000 -364.7337  2531.89  ?   ?    61.053   26.744 0.000000 26.74438 
1 1 1  -57   19    4 o  220.544   14.342 20135.77  2554.36   0.0000   0.0000 20135.77  2554.36  ?   ?   220.544   14.342 0.000000 14.34222 
1 1 1  -57   19    5 o  248.913   14.070 25647.30  2832.12 17867.03  5534.21 28407.76  3296.48  197.245   35.877  261.438   15.600 -64.19324 39.12157 
1 1 1  -57   19    6 o  158.845   12.268 10447.57  1569.98  8152.37  3196.06 11177.56  1802.44  133.824   30.138  163.958   13.664 -30.13431 33.09068 
1 1 1  -57   19    7 o  110.965   12.247  5137.62  1085.08  4668.92  2334.82  5266.74  1225.47  101.410   27.612  111.979   13.768 -10.56865 30.85400 
1 1 1  -57   19    8 o   91.343   12.671  3515.99  914.452  3269.15  2058.93  3576.65  1020.64   85.621   26.713   91.742   14.157 -6.121223 30.23232 
1 1 1  -57   19    9 o  129.119   12.406  6976.62  1284.60  8833.61  2503.04  6312.60  1496.75  141.051   22.620  121.746   15.492 19.30460 27.41614 
1 1 1  -57   19   10 o  126.372   13.301  6739.65  1344.37  4380.85  2700.62  7516.73  1550.07   95.891   30.681  133.036   14.589 -37.14515 33.97272 
1 1 1  -57   19   11 o  165.463   13.776 11589.04  1833.94  3125.52  3578.36 14604.05  2135.76   86.683   34.294  185.585   14.283 -98.90194 37.14968 
1 1 1  -57   19   12 f  113.380   8.6106  5334.26  786.778  6213.33  2484.39  5236.27  829.472  112.698   27.413  112.161   9.1886 0.5374146 28.91158 
1 1 1  -57   19   13 o   72.317   9.1904  2202.39  527.461  920.718  1939.99  2304.70  548.109   59.194   24.566   73.961   9.3349 -14.76703 26.27958 
1 1 1  -57   19   14 o  146.725   9.6388  9026.58  1141.94  6894.29  2959.84  9399.48  1237.77  111.903   31.332  149.422   10.264 -37.51959 32.97073 
1 1 1  -57   19   15 o   92.148   9.6114  3599.56  708.554  3840.76  2360.62  3575.68  742.805   83.596   28.750   91.616   10.156 -8.020294 30.49161 
1 1 1  -57   19   16 o   51.061   13.049  1180.95  543.024 -148.9744  2156.14  1271.02  561.111   51.291   23.389   52.952   13.118 -1.661339 26.81694 
1 1 1  -57   19   17 o   55.112   13.636  1408.92  606.874  2435.00  2849.67  1360.17  621.122   66.791   28.822   53.991   14.038 12.80026 32.05882 
1 1 1  -57   19   18 o   35.875   15.801   79.834  894.499  3736.10  2666.49 -383.7913  949.519   70.692   29.015   32.947   15.207 37.74493 32.75863 
1 1 1  -57   19   19 o   26.712   12.381 -327.0959  639.350 -7453.1279  2885.91   40.707  655.642   34.833   17.768   30.636   13.509 4.196775 22.32056 
1 1 1  -57   19   20 o   31.722   14.592 -103.0967  863.922 -5069.9712  3270.29  269.532  895.743   37.852   19.272   35.262   15.657 2.590286 24.83040 
1 1 1  -57   21    1 o  113.722   31.948  5926.86  3071.90   0.0000   0.0000  5926.86  3071.90  ?   ?   113.722   31.948 0.000000 31.94753 
1 1 1  -57   21    2 o   50.626   22.697 -704.1765  1930.55   0.0000   0.0000 -704.1765  1930.55  ?   ?    50.626   22.697 0.000000 22.69683 
1 1 1  -57   21    3 o  102.881   12.733  4429.02  1040.93   0.0000   0.0000  4429.02  1040.93  ?   ?   102.881   12.733 0.000000 12.73276 
1 1 1  -57   21    4 o  151.231   14.527  9572.95  1761.90   0.0000   0.0000  9572.95  1761.90  ?   ?   151.231   14.527 0.000000 14.52708 
1 1 1  -57   21    5 o  121.996   12.609  6213.83  1231.01  4085.94  3013.21  6640.14  1348.69   95.890   32.490  125.936   13.395 -30.04572 35.14325 
1 1 1  -57   21    6 o  126.459   13.152  6700.22  1330.69  3087.34  3072.02  7534.68  1476.39   87.399   32.466  133.987   13.766 -46.58806 35.26395 
1 1 1  -57   21    7 o  102.649   14.171  4472.98  1149.66   0.0000   0.0000  4472.98  1149.66  ?   ?   102.649   14.171 0.000000 14.17143 
1 1 1  -57   21    8 o  138.118   13.805  8046.91  1527.44  5392.03  3096.69  8900.50  1755.90  105.337   32.743  144.783   15.161 -39.44576 36.08294 
1 1 1  -57   21    9 o  220.170   16.367 20705.46  2904.98 17491.87  5028.46 22315.25  3558.97  187.647   34.266  226.260   19.565 -38.61354 39.45781 
1 1 1  -57   21   10 o  273.661   19.443 32836.12  4292.21 25083.69  6881.37 37772.97  5491.37  214.031   41.091  288.612   23.640 -74.58081 47.40581 
1 1 1  -57   21   11 f  354.895   23.092 57567.18  6618.18 52257.64 10177.84 61456.90  8711.36  301.132   42.833  351.994   30.790 -50.86163 52.75084 
1 1 1  -57   21   12 o   76.980   9.1486  2491.45  560.643 -3393.0740  2837.28  2730.55  571.919   48.514   23.480   80.714   8.8731 -32.20004 25.10069 
1 1 1  -57   21   13 o   24.044   10.189   27.884  344.591  3379.97  2655.26 -29.5384  347.530   81.200   30.179   23.181   10.034 58.01855 31.80382 
1 1 1  -57   21   14 o  137.453   9.3828  7952.25  1040.94  4243.27  3281.99  8367.08  1097.61   85.170   33.095  140.862   9.6548 -55.69260 34.47449 
1 1 1  -57   21   15 o   36.394   12.562  539.503  450.837  -0.3042  2488.10  557.827  458.425   54.960   25.087   36.879   12.670 18.08138 28.10513 
1 1 1  -57   21   16 o   48.752   13.399  1094.60  546.806 -2415.3140  2767.83  1237.15  557.799   46.810   22.780   51.841   13.213 -5.030437 26.33418 
1 1 1  -57   21   17 o   40.381   16.645  509.724  882.117  4624.50  3104.95  148.449  920.028   75.321   31.154   37.055   16.180 38.26600 35.10448 
1 1 1  -57   21   18 o   28.414   13.535 -736.0065  861.441 -9475.4053  3624.64 -212.8234  886.851   37.743   19.307   32.520   14.894 5.222980 24.38403 
1 1 1  -57   21   19 o   29.446   14.116 -736.6971  969.155  481.351  3489.56 -838.5024  1008.84   48.294   23.907   29.514   14.214 18.78061 27.81313 
1 1 1  -57   23    1 o  169.692   33.416 13563.42  4440.28   0.0000   0.0000 13563.42  4440.28  ?   ?   169.692   33.416 0.000000 33.41550 
1 1 1  -57   23    2 o  178.830   15.654 13469.56  2250.16   0.0000   0.0000 13469.56  2250.16  ?   ?   178.830   15.654 0.000000 15.65423 
1 1 1  -57   23    3 o  105.928   14.082  4747.04  1181.18   0.0000   0.0000  4747.04  1181.18  ?   ?   105.928   14.082 0.000000 14.08194 
1 1 1  -57   23    4 o  170.441   15.814 12289.52  2163.63   0.0000   0.0000 12289.52  2163.63  ?   ?   170.441   15.814 0.000000 15.81421 
1 1 1  -57   23    5 o  177.279   14.302 13218.02  2041.17 13032.47  5045.67 13254.33  2231.96  159.471   39.236  176.901   15.702 -17.43045 42.26099 
1 1 1  -57   23    6 o  201.505   15.870 17235.34  2575.59 11741.72  5569.32 18729.90  2904.89  145.822   43.638  209.298   17.247 -63.47504 46.92237 
1 1 1  -57   23    7 o  165.945   15.204 11713.64  2025.79  3116.61  4432.02 13984.11  2277.64   91.016   37.388  181.193   15.634 -90.17760 40.52509 
1 1 1  -57   23    8 o   59.585   16.097  1564.78  797.159  4579.78  2685.40  1273.42  834.788   96.630   30.560   54.450   17.013 42.18042 34.97643 
1 1 1  -57   23    9 o   65.217   16.022  1890.21  842.313  3398.52  2295.95  1655.63  905.448   84.415   28.362   61.012   17.417 23.40280 33.28286 
1 1 1  -57   23   10 o   75.818   30.078  2347.25  2759.61  2347.25  2759.61   0.0000   0.0000   75.818   30.078  ?   ?  0.000000 30.07808 
1 1 1  -57   23   11 o   39.006   16.360  209.062  873.687 -1166.7760  2546.07  392.695  930.167   53.116   24.651   42.069   17.187 11.04714 30.05084 
1 1 1  -57   23   12 o  194.180   11.358 15991.09  1783.01  9479.25  4916.15 16977.39  1913.28  116.305   41.378  199.721   11.851 -83.41632 43.04142 
1 1 1  -57   23   13 o   64.327   9.9004  1777.52  500.527  6011.98  3091.55  1663.54  507.219   99.308   32.901   62.001   10.447 37.30679 34.52012 
1 1 1  -57   23   14 o   55.049   11.451  1344.26  495.166  1213.54  3259.85  1347.35  500.980   65.013   29.291   55.070   11.572 9.943012 31.49352 
1 1 1  -57   23   15 f   65.430   31.785  191.381  5326.64 -2580.4290  8870.64  1754.43  6661.30   67.948   34.273   70.554   34.550 -2.606865 48.66536 
1 1 1  -57   23   16 o  ?   ?  -3065.8831  753.028 -514.3125  3015.81 -3235.5430  777.661   52.104   24.958  ?   ?  0.000000 24.95761 
1 1 1  -57   23   17 o   66.994   21.706  2726.24  1348.47  3097.90  4448.47  2688.64  1415.05   60.664   29.370   65.786   22.265 -5.121197 36.85586 
1 1 1  -57   23   18 o   31.477   14.951 -577.0298  1035.97 -4631.9878  3842.16 -259.1132  1075.82   41.888   21.284   33.941   15.843 7.947224 26.53286 
1 1 1  -57   25    1 o  165.959   15.410 11671.18  2052.91   0.0000   0.0000 11671.18  2052.91  ?   ?   165.959   15.410 0.000000 15.41044 
1 1 1  -57   25    2 o  107.897   14.709  4965.32  1255.08   0.0000   0.0000  4965.32  1255.08  ?   ?   107.897   14.709 0.000000 14.70927 
1 1 1  -57   25    3 o   35.751   13.345  414.263  520.271   0.0000   0.0000  414.263  520.271  ?   ?    35.751   13.345 0.000000 13.34479 
1 1 1  -57   25    4 o   26.663   12.039 -274.3110  554.127   0.0000   0.0000 -274.3110  554.127  ?   ?    26.663   12.039 0.000000 12.03866 
1 1 1  -57   25    5 o  205.188   18.090 18229.05  2983.06   0.0000   0.0000 18229.05  2983.06  ?   ?   205.188   18.090 0.000000 18.09000 
1 1 1  -57   25    6 o  174.736   15.240 13048.00  2140.60 10635.26  5532.60 13472.78  2321.40  133.689   44.001  176.925   16.344 -43.23607 46.93817 
1 1 1  -57   25    7 o   60.652   17.241  1634.76  889.170  3053.70  2993.05  1497.41  931.211   82.985   31.774   58.397   17.923 24.58895 36.48088 
1 1 1  -57   25    8 o  189.477   16.752 15642.20  2550.65  9857.00  5757.40 17054.92  2845.09  123.024   44.652  196.889   17.996 -73.86497 48.14223 
1 1 1  -57   25    9 o  107.911   38.253  6943.69  4198.12  6943.69  4198.12   0.0000   0.0000  107.911   38.253  ?   ?  0.000000 38.25323 
1 1 1  -57   25   10 o  127.762   17.445  7324.27  1762.45  1430.78  3927.10  8810.67  1972.22   74.151   32.860  140.062   17.740 -65.91127 37.34280 
1 1 1  -57   25   11 o  158.080   17.580 11312.26  2218.27  7138.40  4614.59 12566.60  2529.72  101.606   39.309  165.067   19.235 -63.46116 43.76322 
1 1 1  -57   25   12 o   43.418   18.078  420.578  1055.48 -3053.9060  3511.48  765.673  1106.66   53.319   25.880   47.809   19.022 5.510185 32.11871 
1 1 1  -57   25   13 o   24.724   10.114  112.183  322.695  2250.84  3701.88   95.808  323.928   70.295   31.478   24.437   10.081 45.85783 33.05302 
1 1 1  -57   25   14 o  133.208   18.970  8738.29  1993.80  8023.38  5061.62  8869.59  2169.17   87.787   38.146  131.776   20.976 -43.98913 43.53325 
1 1 1  -57   25   15 f   25.058   12.321 -1508.6410  874.608 -10434.9102  3409.87 -880.0388  904.880   36.786   18.810   28.902   13.797 7.883869 23.32734 
1 1 1  -57   25   16 o   98.742   22.253  5755.80  1741.43  8311.90  4941.02  5393.25  1860.84   72.595   33.907   91.579   24.532 -18.98383 41.85114 
1 1 1  -57   25   17 o   67.538   23.193  3300.64  1535.87 -644.0748  5817.08  3596.23  1592.38   50.103   25.528   70.101   23.620 -19.99827 34.77885 
1 1 1  -57   27    1 o  190.801   17.487 15742.54  2678.97   0.0000   0.0000 15742.54  2678.97  ?   ?   190.801   17.487 0.000000 17.48669 
1 1 1  -57   27    2 o  138.260   16.267  8254.28  1791.30   0.0000   0.0000  8254.28  1791.30  ?   ?   138.260   16.267 0.000000 16.26746 
1 1 1  -57   27    3 o   31.067   13.210   36.800  582.463   0.0000   0.0000   36.800  582.463  ?   ?    31.067   13.210 0.000000 13.20976 
1 1 1  -57   27    4 o  161.018   17.084 11284.19  2199.46   0.0000   0.0000 11284.19  2199.46  ?   ?   161.018   17.084 0.000000 17.08395 
1 1 1  -57   27    5 o   34.989   14.458  190.286  667.755   0.0000   0.0000  190.286  667.755  ?   ?    34.989   14.458 0.000000 14.45756 
1 1 1  -57   27    6 o   40.624   16.217  423.244  806.850 -7677.2808  4498.07  692.553  820.153   54.396   26.966   44.588   16.733 9.807842 31.73544 
1 1 1  -57   27    7 o  231.689   18.762 23970.92  3499.30 18330.82  8445.81 25139.78  3844.84  144.939   53.833  235.501   20.305 -90.56207 57.53536 
1 1 1  -57   27    8 o  105.078   17.297  4973.83  1424.43 11476.41  4692.26  4313.76  1494.97  134.547   40.007   96.290   19.783 38.25697 44.63117 
1 1 1  -57   27    9 o   84.286   19.619  3357.53  1317.51  6221.13  4372.06  3071.51  1381.74   97.691   38.132   79.810   21.028 17.88116 43.54519 
1 1 1  -57   27   10 o   52.997   19.638  1167.19  1122.64 -4534.1631  4893.94  1483.87  1153.40   59.595   29.270   57.332   20.075 2.262356 35.49311 
1 1 1  -57   27   11 o  122.114   19.450  7138.21  1863.82  5534.73  5064.15  7389.44  2004.51   86.070   37.760  122.971   20.819 -36.90117 43.11913 
1 1 1  -57   27   12 o   34.544   16.020 -586.4820  1072.45 -8691.9180  3402.40  307.654  1130.05   40.364   20.459   42.492   18.241 -2.128181 27.40987 
1 1 1  -57   27   13 o   33.663   15.522 -428.5575  985.709 -6548.1040  4512.61 -121.9432  1010.10   49.174   24.758   36.415   16.365 12.75815 29.67757 
1 1 1  -57   27   14 o   54.409   21.011  1561.18  1316.48  1057.55  5312.31  1594.13  1358.87   60.410   29.829   54.806   21.296 5.604149 36.65073 
1 1 1  -57   27   15 f   51.322   20.796  1457.81  1348.40 -4518.1782  5622.99  1822.42  1388.92   49.798   25.346   55.021   21.488 -5.222980 33.22892 
1 1 1  -57   27   16 o   30.749   14.925 -1051.2159  1167.99  254.539  5018.77 -1125.9860  1200.97   49.587   25.102   30.859   15.014 18.72814 29.24977 
1 1 1  -57   29    1 o   98.089   18.706  4345.11  1435.47   0.0000   0.0000  4345.11  1435.47  ?   ?    98.089   18.706 0.000000 18.70602 
1 1 1  -57   29    2 o   78.073   19.178  2797.71  1206.93   0.0000   0.0000  2797.71  1206.93  ?   ?    78.073   19.178 0.000000 19.17778 
1 1 1  -57   29    3 o  116.117   18.263  6051.88  1665.05   0.0000   0.0000  6051.88  1665.05  ?   ?   116.117   18.263 0.000000 18.26320 
1 1 1  -57   29    4 o  302.960   24.243 43417.07  5913.68   0.0000   0.0000 43417.07  5913.68  ?   ?   302.960   24.243 0.000000 24.24305 
1 1 1  -57   29    5 o  186.527   19.681 15838.50  2935.71   0.0000   0.0000 15838.50  2935.71  ?   ?   186.527   19.681 0.000000 19.68064 
1 1 1  -57   29    6 o   18.422   9.2794 -1950.9340  638.002   0.0000   0.0000 -1950.9340  638.002  ?   ?    18.422   9.2794 0.000000 9.279404 
1 1 1  -57   29    7 o  107.077   19.445  5366.63  1628.34  4473.92  6725.48  5422.22  1678.27   88.590   40.737  107.235   20.011 -18.64509 45.38652 
1 1 1  -57   29    8 o  132.430   19.324  8235.15  2016.73   57.473  6688.32  9053.03  2115.18   75.577   36.448  138.980   19.262 -63.40296 41.22476 
1 1 1  -57   29    9 f   87.934   21.766  3902.88  1545.74 -4983.8359  6098.58  4512.96  1597.92   62.824   31.187   95.260   21.204 -32.43568 37.71305 
1 1 1  -57   29   10 o   57.385   20.370  1580.18  1190.79 13785.29  5586.39  999.221  1218.80  117.539   43.757   50.527   20.007 67.01232 48.11389 
1 1 1  -57   29   11 o   79.769   23.423  3557.08  1616.77 -3816.3640  6606.38  4026.82  1667.47   61.153   30.675   85.145   23.397 -23.99204 38.57998 
1 1 1  -57   29   12 o   36.384   16.954 -533.6203  1224.01 -1203.7920  5233.74 -494.8445  1258.92   58.204   28.893   37.110   17.260 21.09323 33.65592 
1 1 1  -57   29   13 o   57.803   21.738  1961.74  1385.57  4706.25  4784.64  1710.52  1447.60   65.355   31.339   55.032   21.800 10.32293 38.17574 
1 1 1  -57   29   14 o   42.965   19.029  605.245  1315.11 -6808.3501  5259.00  1099.77  1358.26   45.553   23.298   47.172   20.118 -1.618816 30.78181 
1 1 1  -57   31    1 o  162.790   21.089 12402.72  2722.00   0.0000   0.0000 12402.72  2722.00  ?   ?   162.790   21.089 0.000000 21.08882 
1 1 1  -57   31    2 o  140.232   19.755  9114.18  2187.05   0.0000   0.0000  9114.18  2187.05  ?   ?   140.232   19.755 0.000000 19.75512 
1 1 1  -57   31    3 o   34.513   15.761 -468.3904  983.593   0.0000   0.0000 -468.3904  983.593  ?   ?    34.513   15.761 0.000000 15.76131 
1 1 1  -57   31    4 o  115.678   21.060  6416.67  1905.22   0.0000   0.0000  6416.67  1905.22  ?   ?   115.678   21.060 0.000000 21.05999 
1 1 1  -57   31    5 f  158.918   20.040 11951.35  2528.37   0.0000   0.0000 11951.35  2528.37  ?   ?   158.918   20.040 0.000000 20.03985 
1 1 1  -57   31    6 o  101.447   45.744 12274.81  7970.31   0.0000   0.0000 12274.81  7970.31  ?   ?   101.447   45.744 0.000000 45.74396 
1 1 1  -57   31    7 o   61.571   21.409  1863.31  1310.71 -11272.0801  8648.93  2172.07  1326.02   63.196   32.092   65.588   21.539 -2.392342 38.65048 
1 1 1  -57   31    8 o  106.226   21.616  5792.54  1800.98  649.641  9095.81  6002.39  1837.35   72.522   36.323  108.114   21.685 -35.59129 42.30372 
1 1 1  -57   31    9 o   60.708   21.915  1936.73  1384.15  6027.40  7504.04  1792.65  1408.31   75.282   36.823   59.035   21.972 16.24700 42.87988 
1 1 1  -57   31   10 o   47.026   20.053  723.997  1349.42  1711.80  7078.02  686.739  1374.63   64.946   32.456   46.910   20.128 18.03562 38.19027 
1 1 1  -57   31   11 o   40.737   18.662 -51.4997  1393.32 -825.4060  7692.46 -25.2487  1416.76   58.906   29.949   41.144   18.837 17.76160 35.38070 
1 1 1  -57   31   12 o   32.555   15.825 -1321.3010  1325.95 -3494.3411  8185.50 -1262.7440  1343.70   53.599   27.526   33.030   16.027 20.56991 31.85190 
1 1 1  -57   33    1 o   42.731   18.753   92.996  1249.83   0.0000   0.0000   92.996  1249.83  ?   ?    42.731   18.753 0.000000 18.75256 
1 1 1  -57   33    2 o   79.717   24.215  3413.72  1705.53   0.0000   0.0000  3413.72  1705.53  ?   ?    79.717   24.215 0.000000 24.21488 
1 1 1  -57   33    3 o   98.647   23.792  5161.43  1883.65   0.0000   0.0000  5161.43  1883.65  ?   ?    98.647   23.792 0.000000 23.79243 
1 1 1  -57   33    4 o   77.748   24.043  3317.93  1672.11   0.0000   0.0000  3317.93  1672.11  ?   ?    77.748   24.043 0.000000 24.04294 
1 1 1  -57   33    5 f   78.379   38.010  6226.30  7530.70   0.0000   0.0000  6226.30  7530.70  ?   ?    78.379   38.010 0.000000 38.01049 
1 1 1  -57   33    6 o   66.317   23.348  2449.83  1561.29   0.0000   0.0000  2449.83  1561.29  ?   ?    66.317   23.348 0.000000 23.34759 
1 1 1  -57   33    7 o   64.805   23.806  2436.92  1643.56   0.0000   0.0000  2436.92  1643.56  ?   ?    64.805   23.806 0.000000 23.80603 
1 1 1  -57   33    8 o   75.710   24.301  3562.96  1693.30  6736.04 11290.30  3489.95  1712.67   66.959   34.237   74.621   24.477 -7.662483 42.08699 
1 1 1  -57   33    9 o  105.920   25.529  7163.17  2169.84  4015.14 11740.66  7274.50  2207.88   61.594   31.682  106.213   25.846 -44.61840 40.88730 
1 1 1  -57   33   10 o   46.347   20.296  891.980  1457.03  8358.25 10441.63  743.714  1471.42   59.602   30.633   45.334   20.101 14.26807 36.63911 
1 1 1  -57   35    1 o   56.037   24.165  1346.32  2000.39   0.0000   0.0000  1346.32  2000.39  ?   ?    56.037   24.165 0.000000 24.16489 
1 1 1  -57   35    2 o   49.594   21.903  653.229  1730.26   0.0000   0.0000  653.229  1730.26  ?   ?    49.594   21.903 0.000000 21.90293 
1 1 1  -57   35    3 o   75.342   36.969  9783.49  7746.79   0.0000   0.0000  9783.49  7746.79  ?   ?    75.342   36.969 0.000000 36.96896 
1 1 1  -57   35    4 o   62.360   23.902  2341.67  1694.81   0.0000   0.0000  2341.67  1694.81  ?   ?    62.360   23.902 0.000000 23.90236 
1 1 1  -57   35    5 o   88.201   26.035  5123.37  1992.86   0.0000   0.0000  5123.37  1992.86  ?   ?    88.201   26.035 0.000000 26.03520 
1 1 1  -56    0    1 o  250.286   23.061 26233.89  4595.16   0.0000   0.0000 26233.89  4595.16  250.286   23.061  250.286   23.061 -0.000000 0.000000 
1 1 1  -56    0    2 o  490.700   37.475 101091.50 14731.16 101091.50 14731.16   0.0000   0.0000  490.700   37.475  490.700   37.475 0.000000 0.000000 
1 1 1  -56    0    4 o  432.755   30.759 78059.34 10682.79   0.0000   0.0000 78059.34 10682.79  432.755   30.759  432.755   30.759 -0.000000 0.000000 
1 1 1  -56    0    6 o  434.585   31.110 78823.50 10848.40 78823.50 10848.40   0.0000   0.0000  434.585   31.110  434.585   31.110 0.000000 0.000000 
1 1 1  -56    0    7 o  308.857   22.946 39647.46  5681.38   0.0000   0.0000 39647.46  5681.38  308.857   22.946  308.857   22.946 -0.000000 0.000000 
1 1 1  -56    0    8 o   13.649   9.5692 -428.4424  401.534   0.0000   0.0000 -428.4424  401.534   13.649   9.5692   13.649   9.5692 -0.000000 0.000000 
1 1 1  -56    0    9 o   85.497   13.323  3183.14  857.985  3183.14  857.985   0.0000   0.0000   85.497   13.323   85.497   13.323 0.000000 0.000000 
1 1 1  -56    0   10 o   79.831   17.824  2953.56  1009.16   0.0000   0.0000  2953.56  1009.16   79.831   17.824   79.831   17.824 -0.000000 0.000000 
1 1 1  -56    0   11 o  538.612   39.039 123048.50 16867.07 123048.50 16867.07   0.0000   0.0000  538.612   39.039  538.612   39.039 0.000000 0.000000 
1 1 1  -56    0   12 o  111.284   16.285  5366.79  1379.34   0.0000   0.0000  5366.79  1379.34  111.284   16.285  111.284   16.285 -0.000000 0.000000 
1 1 1  -56    0   13 o  117.283   16.718  5952.02  1498.47  5952.02  1498.47   0.0000   0.0000  117.283   16.718  117.283   16.718 0.000000 0.000000 
1 1 1  -56    0   14 o  320.119   24.921 43214.51  6387.31 43214.51  6387.31   0.0000   0.0000  320.119   24.921  320.119   24.921 0.000000 0.000000 
1 1 1  -56    0   15 o   53.734   10.428  1300.85  405.731 -198.4259  1117.04  1528.71  435.472   28.583   18.831   58.894   9.9624 0.000000 0.000000 
1 1 1  -56    0   16 o   57.674   9.1427  1453.91  395.934 -3357.9341  968.457  2419.57  433.848   14.112   10.447   76.095   7.1678 0.000000 0.000000 
1 1 1  -56    0   17 o   59.937   10.866  1604.44  477.259  4073.67  1193.27  1134.22  520.723   95.142   17.085   46.364   15.508 0.000000 0.000000 
1 1 1  -56    0   18 o   10.388   7.4722 -533.3455  308.320  1313.58  1048.80 -708.0554  322.573   45.883   22.991   9.7838   7.1173 0.000000 0.000000 
1 1 1  -56    0   19 o  189.886   12.667 15067.65  1933.06 10901.69  3025.33 17941.97  2512.95  152.921   26.836  206.222   15.197 0.000000 0.000000 
1 1 1  -56    0   20 o   11.292   8.0114 -407.2825  309.550 -405.5184  324.688 -424.8881  1025.75   11.729   8.2991   25.240   17.062 -0.000000 0.000000 
1 1 1  -56    0   21 o   25.227   13.729  377.175  397.633  386.462  411.837  249.466  1527.20   25.556   13.952   35.880   23.035 -0.000000 0.000000 
1 1 1  -56    0   22 o   37.356   15.960  834.772  493.744  442.571  1693.55  871.205  516.167   38.252   24.439   38.112   16.321 0.000000 0.000000 
1 1 1  -56    0   23 f   12.775   8.8462 -249.5154  315.304 -266.9138  323.252   91.312  1430.72   12.822   8.8972   32.789   21.500 -0.000000 0.000000 
1 1 1  -56    0   24 o   71.602   12.100  2340.06  643.176   0.0000   0.0000  2340.06  643.176   71.602   12.100   71.602   12.100 0.000000 0.000000 
1 1 1  -56    2    1 o  492.180   25.730 100093.80 10246.72 92998.62 14478.76 107213.10 14503.37  469.390   38.324  505.490   35.563 -36.09995 52.28187 
1 1 1  -56    2    2 o  339.110   10.902 46817.01  3001.94 46859.00  4243.39 46774.95  4247.37  338.788   15.426  338.481   15.454 0.3074341 21.83545 
1 1 1  -56    2    3 o  354.093   18.647 51475.94  5342.39 50452.69  7054.78 52851.66  8180.06  348.985   25.063  356.195   28.523 -7.210052 37.96989 
1 1 1  -56    2    4 o  307.846   22.401 39171.46  5560.89 39171.46  5560.89   0.0000   0.0000  307.846   22.401  ?   ?  0.000000 22.40070 
1 1 1  -56    2    5 o  442.613   22.030 80600.62  7917.34 76188.13 11250.26 84930.22 11144.11  425.775   32.794  450.615   30.640 -24.83957 44.88078 
1 1 1  -56    2    6 o  459.565   32.749 88886.59 12140.49   0.0000   0.0000 88886.59 12140.49  ?   ?   459.565   32.749 0.000000 32.74922 
1 1 1  -56    2    7 o  354.907   17.874 51796.52  5134.35 52815.30  7313.48 50806.42  7209.78  356.085   25.463  349.164   25.609 6.920624 36.11343 
1 1 1  -56    2    8 o  569.646   27.893 135439.20 12901.40 145594.50 18289.74 125382.00 18201.25  582.057   38.924  537.523   42.038 44.53418 57.29066 
1 1 1  -56    2    9 o  483.249   23.946 97004.75  9395.81 102007.30 13325.34 92058.40 13250.33  489.122   33.759  463.397   35.485 25.72531 48.97835 
1 1 1  -56    2   10 o  382.479   19.413 60561.02  6009.15 63679.12  8542.22 57506.35  8454.90  388.652   27.241  368.617   28.469 20.03445 39.40263 
1 1 1  -56    2   11 o  262.403   14.287 28333.42  3032.58 29394.53  4334.82 27316.30  4244.04  265.521   20.259  255.794   20.609 9.726593 28.89911 
1 1 1  -56    2   12 o  323.519   17.039 43367.77  4460.27 44463.49  6361.62 42308.38  6255.27  324.240   24.341  316.130   24.562 8.109558 34.58025 
1 1 1  -56    2   13 o   84.411   7.7922  2930.68  528.042  3148.04  1099.91  2865.58  601.946   85.816   16.383   83.269   9.0486 2.547150 18.71548 
1 1 1  -56    2   14 o  267.807   11.893 29546.21  2586.24 29672.78  4649.90 29489.51  3112.01  263.042   21.972  266.268   14.448 -3.226379 26.29692 
1 1 1  -56    2   15 o   98.671   7.6878  4009.65  611.064  6004.35  1380.94  3523.99  681.406  118.999   14.598   92.161   9.2299 26.83809 17.27122 
1 1 1  -56    2   16 o   59.649   9.1669  1499.92  429.773  275.353  977.161  1793.61  478.543   42.073   17.445   65.314   9.2849 -23.24163 19.76236 
1 1 1  -56    2   17 o  197.535   10.086 16268.70  1612.29 16140.71  2966.76 16322.35  1920.68  190.155   19.490  196.747   12.081 -6.592010 22.93082 
1 1 1  -56    2   18 o  104.279   6.6580  4491.24  560.798  5132.76  787.286  3830.44  799.021  110.818   8.8226   95.032   10.532 15.78600 13.73915 
1 1 1  -56    2   19 o   60.393   7.0063  1527.24  337.190  1577.69  462.196  1469.83  493.012   60.587   9.7242   58.059   10.857 2.528465 14.57530 
1 1 1  -56    2   20 o   17.500   7.7010 -49.1059  212.044 -388.5575  317.688  223.622  284.759   17.269   8.2245   26.140   9.8500 -8.871149 12.83213 
1 1 1  -56    2   21 o   45.469   8.7748  905.342  312.221  1255.55  443.387  560.885  439.730   52.968   10.678   36.270   12.411 16.69828 16.37243 
1 1 1  -56    2   22 o   54.711   8.2680  1307.51  355.836  1565.14  534.649  1102.64  476.767   58.071   11.743   48.350   12.157 9.720963 16.90205 
1 1 1  -56    2   23 f   24.871   9.7368  203.282  285.720  255.940  376.612  131.874  438.566   27.837   11.090   26.958   11.462 0.8790684 15.94908 
1 1 1  -56    2   24 o   26.147   9.7310  285.170  276.237  635.263  398.053 -40.0647  383.661   35.392   11.810   22.526   10.107 12.86621 15.54423 
1 1 1  -56    4    1 o  646.744   27.402 172807.20 14389.75 172262.30 17507.63 173941.80 25262.33  642.072   33.700  635.041   49.381 7.030945 59.78442 
1 1 1  -56    4    2 o  352.921   15.914 50876.18  4560.24 49813.97  5472.07 53290.91  8250.51  348.171   19.434  357.693   28.648 -9.522614 34.61749 
1 1 1  -56    4    3 o  293.356   15.798 35257.64  3749.16 32834.91  4878.66 38752.16  5859.25  281.967   21.470  305.899   23.777 -23.93155 32.03602 
1 1 1  -56    4    4 o  246.409   18.898 25025.79  3752.18 25025.79  3752.18   0.0000   0.0000  246.409   18.898  ?   ?  0.000000 18.89780 
1 1 1  -56    4    5 o  374.884   27.254 58544.05  8239.21 58544.05  8239.21   0.0000   0.0000  374.884   27.254  ?   ?  0.000000 27.25409 
1 1 1  -56    4    6 o  382.160   19.245 60111.46  5952.54 59210.64  8512.98 60973.24  8326.44  376.416   28.055  382.405   26.989 -5.989807 38.92937 
1 1 1  -56    4    7 o  306.745   22.246 39025.98  5503.03   0.0000   0.0000 39025.98  5503.03  ?   ?   306.745   22.246 0.000000 22.24585 
1 1 1  -56    4    8 o  334.356   16.855 45977.08  4561.26 48565.84  6549.25 43538.65  6356.26  341.537   23.765  323.070   24.411 18.46637 34.06824 
1 1 1  -56    4    9 o  161.818   10.519 10723.96  1374.61  8900.70  2086.38 12122.49  1827.28  146.037   17.975  171.682   13.210 -25.64487 22.30642 
1 1 1  -56    4   10 o  236.108   12.778 22870.84  2440.56 26820.13  3548.56 19325.98  3361.96  254.691   17.261  215.454   19.427 39.23709 25.98737 
1 1 1  -56    4   11 o  167.387   10.821 11493.50  1462.89 12748.23  2155.41 10421.89  1991.93  175.464   15.281  158.431   15.691 17.03366 21.90249 
1 1 1  -56    4   12 o  132.683   7.7794  7199.42  834.444  5952.44  1681.77  7606.65  961.090  118.594   18.033  136.272   8.7319 -17.67793 20.03589 
1 1 1  -56    4   13 o  436.414   17.874 79325.82  6333.59 76308.16 11122.13 80774.02  7704.91  414.281   33.346  437.785   21.675 -23.50443 39.77188 
1 1 1  -56    4   14 o  119.218   7.7738  5832.72  748.390  7573.47  1565.85  5317.36  852.002  134.284   14.596  113.531   9.3248 20.75272 17.32056 
1 1 1  -56    4   15 o  142.790   8.6326  8399.91  996.170  7412.55  1992.01  8729.17  1150.34  130.300   19.422  145.268   9.8101 -14.96809 21.75856 
1 1 1  -56    4   16 o  217.052   10.644 19554.27  1875.85 20091.37  3475.46 19333.48  2228.30  213.206   20.322  214.404   12.859 -1.197342 24.04856 
1 1 1  -56    4   17 o   46.989   11.085  959.136  416.099  331.297  1220.79  1041.66  442.602   46.055   19.328   48.942   11.357 -2.887074 22.41808 
1 1 1  -56    4   18 o  115.232   9.9365  5592.92  920.608  4382.71  1673.03  6118.50  1102.54   95.445   22.034  119.860   11.469 -24.41533 24.84030 
1 1 1  -56    4   19 o   45.860   11.918  933.591  447.849 -2904.4331  1392.52  1376.37  472.977   30.145   14.954   56.141   10.768 -25.99536 18.42741 
1 1 1  -56    4   20 o   64.838   11.014  1849.47  559.128  1545.35  1617.36  1890.75  595.867   58.474   23.081   65.283   11.669 -6.809132 25.86293 
1 1 1  -56    4   21 o   83.032   10.736  3042.61  706.856  3280.49  1855.13  3002.21  764.529   73.107   25.467   81.779   11.860 -8.672684 28.09334 
1 1 1  -56    4   22 o   32.471   12.019  422.364  420.316  1268.14  1761.36  371.293  432.820   51.452   22.429   31.612   12.088 19.84004 25.47871 
1 1 1  -56    4   23 o   28.046   11.452  234.353  412.701  1703.23  1910.38  162.446  422.682   50.036   22.494   27.034   11.361 23.00144 25.20023 
1 1 1  -56    4   24 o   61.712   13.213  2028.47  642.096   0.0000   0.0000  2028.47  642.096  ?   ?    61.712   13.213 0.000000 13.21275 
1 1 1  -56    6    1 o  474.834   23.228 92748.80  8955.61 86476.98 12287.60 99855.38 13079.78  454.151   33.560  488.347   33.183 -34.19632 47.19497 
1 1 1  -56    6    2 o  374.428   15.099 57245.70  4590.50 52660.82  5513.46 67606.05  8287.96  358.026   19.034  404.034   25.393 -46.00812 31.73453 
1 1 1  -56    6    3 o  475.669   24.575 93556.05  9459.25 93222.45 12919.39 93941.53 13887.87  470.948   34.014  471.533   36.559 -0.5839844 49.93526 
1 1 1  -56    6    4 o   93.629   12.356  3635.40  916.417  3635.40  916.417   0.0000   0.0000   93.629   12.356  ?   ?  0.000000 12.35622 
1 1 1  -56    6    5 o   60.385   12.596  1542.55  597.616  1542.55  597.616   0.0000   0.0000   60.385   12.596  ?   ?  0.000000 12.59626 
1 1 1  -56    6    6 o  176.847   15.576 12892.50  2213.83 12892.50  2213.83   0.0000   0.0000  176.847   15.576  ?   ?  0.000000 15.57631 
1 1 1  -56    6    7 o  363.821   17.998 54348.56  5316.73 56747.45  7641.62 52097.71  7402.08  368.798   25.679  353.177   25.995 15.62085 36.53949 
1 1 1  -56    6    8 o  192.830   10.879 15212.67  1696.42 16691.02  2540.88 14023.67  2278.69  201.214   15.676  184.394   15.359 16.82018 21.94615 
1 1 1  -56    6    9 o   99.451   8.5027  4057.17  680.005  2886.06  1217.29  4588.40  819.854   82.101   18.681  105.661   9.6632 -23.56001 21.03218 
1 1 1  -56    6   10 o  246.643   13.393 24985.65  2672.07 24992.41  3953.86 24979.97  3625.25  244.940   20.056  245.389   18.327 -0.4496155 27.16850 
1 1 1  -56    6   11 o  246.643   20.414 25439.46  4051.50 25439.46  4051.50   0.0000   0.0000  246.643   20.414  ?   ?  0.000000 20.41407 
1 1 1  -56    6   12 o  100.430   9.3152  4153.84  750.972  2476.99  1354.87  4897.46  902.249   75.828   21.187  108.958   10.321 -33.12962 23.56730 
1 1 1  -56    6   13 o  169.111   11.129 11786.41  1519.60  9708.85  2379.39 13217.49  1974.79  150.863   19.911  178.453   13.734 -27.58998 24.18819 
1 1 1  -56    6   14 o  151.608   10.880  9511.01  1330.42  6435.20  2144.38 11435.86  1696.37  120.539   22.744  165.773   12.699 -45.23465 26.04892 
1 1 1  -56    6   15 o   50.263   11.288  1086.77  449.422  1356.82  1170.57  1040.08  486.724   58.148   20.231   49.077   12.252 9.070999 23.65221 
1 1 1  -56    6   16 o   50.168   11.269  1088.31  447.829  659.420  1215.57  1155.66  481.711   49.667   19.878   51.635   11.753 -1.967739 23.09282 
1 1 1  -56    6   17 o   98.580   9.9483  4084.40  785.412  3401.84  1581.76  4307.76  904.841   84.533   22.606  100.802   11.247 -16.26898 25.24935 
1 1 1  -56    6   18 o   61.820   11.618  1665.60  561.743 -130.7315  1217.09  2151.85  633.224   41.385   18.319   70.532   11.450 -29.14681 21.60270 
1 1 1  -56    6   19 o   99.449   10.439  4231.71  830.394  1896.94  1787.25  4874.49  937.758   63.992   24.541  106.510   11.002 -42.51815 26.89450 
1 1 1  -56    6   20 o   69.969   10.212  2130.30  563.052  2509.08  1691.16  2083.08  597.119   68.091   24.264   68.789   11.066 -0.6980515 26.66816 
1 1 1  -56    6   21 o   29.236   11.682  238.706  419.071 -616.6309  1664.63  296.584  433.017   41.553   19.495   30.592   11.984 10.96033 22.88418 
1 1 1  -56    6   22 o   30.556   11.684  345.489  404.402 -845.4512  1494.29  439.609  420.078   36.895   17.645   32.724   12.033 4.170933 21.35736 
1 1 1  -56    6   23 o   26.945   11.414  151.838  432.098  1301.13  1999.49   95.536  442.555   47.097   21.853   26.324   11.359 20.77325 24.62896 
1 1 1  -56    6   24 o   30.071   12.145  379.507  458.274   0.0000   0.0000  379.507  458.274  ?   ?    30.071   12.145 0.000000 12.14492 
1 1 1  -56    8    1 o  282.476   25.043 33170.18  5684.32   0.0000   0.0000 33170.18  5684.32  ?   ?   282.476   25.043 0.000000 25.04293 
1 1 1  -56    8    2 o  357.100   29.868 53355.73  8580.94   0.0000   0.0000 53355.73  8580.94  ?   ?   357.100   29.868 0.000000 29.86848 
1 1 1  -56    8    3 o  142.292   11.837  8308.61  1355.24  7176.37  1540.75 12179.56  2848.86  131.759   14.650  170.923   20.967 -39.16402 25.57795 
1 1 1  -56    8    4 f  207.044   17.104 17670.46  2849.59 17670.46  2849.59   0.0000   0.0000  207.044   17.104  ?   ?  0.000000 17.10360 
1 1 1  -56    8    5 o  285.252   21.790 33715.84  5008.74 33715.84  5008.74   0.0000   0.0000  285.252   21.790  ?   ?  0.000000 21.79012 
1 1 1  -56    8    6 o  219.271   17.948 19861.29  3167.48 19861.29  3167.48   0.0000   0.0000  219.271   17.948  ?   ?  0.000000 17.94804 
1 1 1  -56    8    7 f  407.308   30.019 69952.22  9858.07 69952.22  9858.07   0.0000   0.0000  407.308   30.019  ?   ?  0.000000 30.01944 
1 1 1  -56    8    8 o  207.265   15.890 17721.99  2653.75   0.0000   0.0000 17721.99  2653.75  ?   ?   207.265   15.890 0.000000 15.88969 
1 1 1  -56    8    9 o  105.762   8.8131  4588.71  749.941  3255.72  1314.49  5231.95  913.132   87.176   19.098  112.815   10.074 -25.63878 21.59269 
1 1 1  -56    8   10 o  255.199   10.455 26591.37  2166.34 35934.31  3975.05 22644.02  2583.77  294.924   16.668  234.650   13.620 60.27490 21.52458 
1 1 1  -56    8   11 o  159.861   8.3065 10447.02  1074.49 10504.30  2147.67 10427.90  1240.96  158.606   16.939  159.527   9.6255 -0.9210663 19.48255 
1 1 1  -56    8   12 o  262.410   11.194 28222.47  2385.15 33617.68  4360.10 25918.44  2849.28  283.276   19.067  250.409   14.071 32.86742 23.69664 
1 1 1  -56    8   13 o  117.969   7.7365  5707.81  736.954  6391.10  1583.39  5518.87  832.637  122.864   16.272  115.795   8.9246 7.069031 18.55886 
1 1 1  -56    8   14 o   59.120   8.9228  1465.34  414.995  600.811  1165.91  1590.77  444.078   49.045   19.521   61.600   9.1572 -12.55453 21.56204 
1 1 1  -56    8   15 o  101.188   8.4851  4238.46  690.716  5226.88  1533.28  3986.81  773.664  109.209   17.912   97.779   9.8802 11.42973 20.45655 
1 1 1  -56    8   16 o  119.233   8.6219  5896.38  829.090  5864.52  1795.85  5905.01  934.659  113.862   20.162  118.969   9.7616 -5.107040 22.40122 
1 1 1  -56    8   17 o   79.906   9.5528  2692.34  607.511  2015.70  1509.30  2823.16  663.646   66.664   22.985   81.631   10.238 -14.96729 25.16224 
1 1 1  -56    8   18 o   42.746   12.309  800.512  450.375 -905.2934  1185.66  1088.14  486.866   35.374   16.551   49.580   12.181 -14.20645 20.55023 
1 1 1  -56    8   19 o   59.067   11.806  1546.40  546.437 -1433.0250  1559.52  1963.39  583.423   38.148   18.183   67.032   11.108 -28.88379 21.30793 
1 1 1  -56    8   20 o   81.732   10.183  2902.07  661.131  2668.14  1852.29  2936.22  707.749   68.736   25.269   81.827   10.925 -13.09166 27.52977 
1 1 1  -56    8   21 o   53.917   11.757  1337.22  500.190  913.006  1811.34  1372.23  520.426   51.105   22.498   54.471   12.083 -3.366795 25.53722 
1 1 1  -56    8   22 o   36.555   13.261  597.111  507.675  695.195  1972.80  590.155  525.369   47.376   21.885   36.549   13.454 10.82672 25.69003 
1 1 1  -56    8   23 o   52.870   14.410  1506.98  635.554  2391.97  2257.57  1430.80  662.343   50.829   23.456   50.882   15.007 -0.5300903E-01 27.84571 
1 1 1  -56   10    4 o  547.399   40.373 128591.10 17817.74 128591.10 17817.74   0.0000   0.0000  547.399   40.373  ?   ?  0.000000 40.37252 
1 1 1  -56   10    5 o  449.245   33.181 85431.87 12017.82 85431.87 12017.82   0.0000   0.0000  449.245   33.181  ?   ?  0.000000 33.18093 
1 1 1  -56   10    6 o  149.344   14.943  9218.44  1787.75  9218.44  1787.75   0.0000   0.0000  149.344   14.943  ?   ?  0.000000 14.94341 
1 1 1  -56   10    7 o  101.340   8.5832  4211.44  699.628  2449.04  1137.61  5283.50  887.257   75.660   18.639  113.450   9.7258 -37.78995 21.02420 
1 1 1  -56   10    8 o  288.101   14.790 34113.19  3448.19   0.0000   0.0000 34113.19  3448.19  ?   ?   288.101   14.790 0.000000 14.79018 
1 1 1  -56   10    9 o  109.947   6.9082  4938.67  613.585  3845.91  1393.20  5201.63  683.436   94.913   18.743  112.786   7.5057 -17.87292 20.19006 
1 1 1  -56   10   10 o  262.214   11.261 28118.44  2397.59 29244.56  4403.11 27643.81  2858.53  264.398   20.674  259.207   13.630 5.190735 24.76290 
1 1 1  -56   10   11 o  140.698   8.0002  8098.46  910.183  5131.95  1865.64  9025.08  1042.69  108.839   21.870  148.458   8.6878 -39.61852 23.53217 
1 1 1  -56   10   12 o  157.246   8.5763 10133.42  1090.87  7389.85  2233.24 10993.17  1250.16  130.643   21.823  163.640   9.4491 -32.99611 23.78042 
1 1 1  -56   10   13 o  179.954   9.1921 13312.15  1338.64 11700.25  2612.04 13886.31  1558.92  164.919   19.909  183.460   10.509 -18.54010 22.51218 
1 1 1  -56   10   14 o  145.444   8.6057  8716.30  1011.78  8412.24  2064.83  8812.37  1160.67  139.153   18.752  145.915   9.8542 -6.761581 21.18378 
1 1 1  -56   10   15 o  110.172   8.5253  5026.83  756.703  4236.47  1800.81  5196.31  833.895   95.400   23.421  111.827   9.2674 -16.42692 25.18739 
1 1 1  -56   10   16 o  116.703   8.7967  5663.41  827.434  5230.18  1823.57  5775.73  928.520  106.003   21.911  117.522   9.8204 -11.51925 24.01105 
1 1 1  -56   10   17 o  104.573   8.9656  4577.59  753.905  4652.29  1766.53  4560.96  833.635   98.222   22.617  104.007   9.9944 -5.784836 24.72708 
1 1 1  -56   10   18 o  107.479   9.4201  4877.40  813.786  4197.82  1927.86  5024.75  897.683   89.664   25.351  108.703   10.293 -19.03896 27.36090 
1 1 1  -56   10   19 f   91.410   10.480  3604.55  763.774  4621.63  1900.97  3408.76  834.055   92.389   24.814   88.095   11.970 4.294121 27.55067 
1 1 1  -56   10   20 o   30.247   12.774  127.880  538.684 -1734.0770  1719.48  330.511  567.239   37.902   18.328   33.818   13.563 4.083820 22.80102 
1 1 1  -56   10   21 o   41.414   13.862  797.940  548.447 -1734.8180  1980.06  1008.40  570.779   39.344   19.173   45.785   14.029 -6.440304 23.75731 
1 1 1  -56   10   22 o   42.338   15.445  899.433  690.093 -1530.3640  2164.70  1174.31  728.081   39.198   19.295   46.981   15.971 -7.783211 25.04690 
1 1 1  -56   10   23 o   36.962   14.594  681.787  646.828  3916.28  2433.83  435.968  670.957   55.092   25.017   33.728   14.251 21.36325 28.79134 
1 1 1  -56   12    2 f  163.071   25.711 11275.21  3291.56   0.0000   0.0000 11275.21  3291.56  ?   ?   163.071   25.711 0.000000 25.71099 
1 1 1  -56   12    3 o  234.666   26.161 23131.33  4899.91   0.0000   0.0000 23131.33  4899.91  ?   ?   234.666   26.161 0.000000 26.16109 
1 1 1  -56   12    4 o   95.536   28.967  3849.62  2442.25   0.0000   0.0000  3849.62  2442.25  ?   ?    95.536   28.967 0.000000 28.96697 
1 1 1  -56   12    5 o  232.057   20.451 22370.71  3814.02 22370.71  3814.02   0.0000   0.0000  232.057   20.451  ?   ?  0.000000 20.45095 
1 1 1  -56   12    6 o  137.181   10.571  7719.73  1168.38  3772.10  1887.41 10172.33  1487.69   93.554   24.541  157.422   11.723 -63.86889 27.19738 
1 1 1  -56   12    7 o  206.353   12.013 17456.22  2004.14 17655.47  3045.27 17303.99  2661.84  206.214   18.380  204.653   16.150 1.560516 24.46719 
1 1 1  -56   12    8 o  375.733   27.505 59737.25  8332.97   0.0000   0.0000 59737.25  8332.97  ?   ?   375.733   27.505 0.000000 27.50490 
1 1 1  -56   12    9 o  286.591   11.604 33599.36  2700.36 42163.22  5014.14 30100.84  3204.82  318.301   19.495  270.271   14.659 48.03073 24.39100 
1 1 1  -56   12   10 o  400.823   15.855 66325.77  5160.09 75415.50  9236.10 62201.16  6221.63  419.919   27.235  385.839   19.927 34.07990 33.74701 
1 1 1  -56   12   11 o  280.376   12.213 32312.34  2780.45 30569.32  5134.60 33035.52  3307.33  267.177   23.922  282.446   14.470 -15.26898 27.95744 
1 1 1  -56   12   12 o   42.125   10.722  757.275  367.651 -338.5751  1105.52  893.541  389.840   39.168   17.393   45.730   10.691 -6.561337 20.41539 
1 1 1  -56   12   13 f   94.003   8.1885  3648.17  618.769  1909.75  1497.97  4005.82  679.445   67.628   22.908   98.458   8.5848 -30.83034 24.46392 
1 1 1  -56   12   14 o  133.789   8.6890  7394.81  938.794  4660.73  2037.34  8131.83  1057.79   99.813   25.149  140.137   9.3499 -40.32393 26.83111 
1 1 1  -56   12   15 o   91.719   8.8742  3505.02  652.628  1025.52  1771.62  3894.33  701.996   59.219   23.892   96.674   9.0483 -37.45483 25.54846 
1 1 1  -56   12   16 o   81.850   9.8644  2827.79  642.371  3523.90  1671.77  2707.22  695.786   85.488   23.401   79.678   11.052 5.810089 25.87976 
1 1 1  -56   12   17 o  106.020   9.4894  4732.78  808.251  3730.81  1976.50  4933.98  885.691   85.106   26.110  107.961   10.226 -22.85531 28.04134 
1 1 1  -56   12   18 f  108.823   9.7784  5030.80  854.805  4371.99  2058.84  5168.02  939.618   89.602   26.467  109.853   10.669 -20.25158 28.53605 
1 1 1  -56   12   19 o   34.056   13.242  373.690  525.707 -2172.8411  1721.09  635.728  552.092   36.853   17.941   39.224   13.876 -2.371250 22.68037 
1 1 1  -56   12   20 o   71.156   13.066  2336.85  727.066 -1169.3580  2101.55  2813.57  774.919   43.616   20.877   78.554   12.573 -34.93809 24.37045 
1 1 1  -56   12   21 o   32.792   14.136  174.415  684.068 -907.3314  2092.99  303.791  723.820   42.313   20.402   34.941   14.785 7.371994 25.19597 
1 1 1  -56   12   22 o   44.676   15.308  1070.30  668.932 -1673.9240  2396.89  1302.09  696.610   39.193   19.472   48.753   15.580 -9.560173 24.93843 
1 1 1  -56   12   23 o   31.428   13.467  344.355  613.963 -1426.5410  2643.19  445.352  631.228   37.160   18.739   32.886   13.855 4.274277 23.30522 
1 1 1  -56   14    1 o  243.292   25.116 24803.75  4890.23   0.0000   0.0000 24803.75  4890.23  ?   ?   243.292   25.116 0.000000 25.11638 
1 1 1  -56   14    2 o  387.691   32.852 63793.48 10244.44   0.0000   0.0000 63793.48 10244.44  ?   ?   387.691   32.852 0.000000 32.85246 
1 1 1  -56   14    3 o  511.777   41.240 113715.40 16991.71   0.0000   0.0000 113715.40 16991.71  ?   ?   511.777   41.240 0.000000 41.24009 
1 1 1  -56   14    4 o  319.735   30.564 43384.85  7838.09   0.0000   0.0000 43384.85  7838.09  ?   ?   319.735   30.564 0.000000 30.56366 
1 1 1  -56   14    5 o  125.270   8.9101  6424.34  900.389  6504.01  1745.91  6395.47  1050.92  124.540   17.769  124.788   10.469 -0.2484207 20.62365 
1 1 1  -56   14    6 o  304.006   16.865 38123.29  4146.71 36645.55  6229.94 39298.75  5556.35  294.730   26.309  306.825   22.459 -12.09531 34.59175 
1 1 1  -56   14    7 f  235.084   13.556 22719.42  2576.56 23421.58  3931.56 22190.82  3411.21  236.791   20.655  231.139   18.326 5.652542 27.61322 
1 1 1  -56   14    8 o  407.229   30.269 71218.19  9937.23   0.0000   0.0000 71218.19  9937.23  ?   ?   407.229   30.269 0.000000 30.26940 
1 1 1  -56   14    9 o  269.694   15.192 30083.01  3313.18 30719.50  4958.12 29569.49  4453.49  269.454   22.878  265.239   20.847 4.215424 30.95142 
1 1 1  -56   14   10 o  275.549   12.345 31217.13  2762.05 29056.16  5201.18 32065.89  3259.65  259.851   24.958  278.260   14.477 -18.40866 28.85314 
1 1 1  -56   14   11 o   71.448   7.5932  2108.24  433.760 -929.3198  1459.91  2402.35  454.274   41.624   19.081   76.347   7.4218 -34.72308 20.47359 
1 1 1  -56   14   12 o  296.344   13.198 36491.39  3175.83 35284.32  5936.80 36975.28  3758.87  281.073   26.320  296.543   15.667 -15.47034 30.62960 
1 1 1  -56   14   13 o   57.530   10.255  1406.40  461.451  3113.17  1561.57  1243.10  483.023   82.644   22.614   53.774   11.416 28.87030 25.33208 
1 1 1  -56   14   14 o   77.051   9.6884  2492.74  592.731  2098.80  1777.20  2542.04  628.730   69.998   24.881   77.680   10.216 -7.681816 26.89667 
1 1 1  -56   14   15 o   75.513   10.166  2413.41  607.497  2206.03  1896.34  2437.13  641.294   70.678   25.631   75.719   10.731 -5.040840 27.78638 
1 1 1  -56   14   16 o  139.419   9.4748  8139.44  1066.21  4741.98  2523.76  8877.57  1176.35   94.248   29.603  145.368   10.028 -51.12043 31.25495 
1 1 1  -56   14   17 o  128.997   9.5647  7017.88  994.683  6133.47  2499.36  7184.32  1084.25  105.955   28.451  130.116   10.348 -24.16096 30.27457 
1 1 1  -56   14   18 o  144.558   10.142  8920.95  1182.95  7391.64  2837.62  9242.64  1301.43  110.626   30.573  146.512   11.021 -35.88590 32.49834 
1 1 1  -56   14   19 o   42.579   14.330  807.697  586.135 -737.7216  2115.31  936.222  610.021   46.409   21.838   45.206   14.594 1.202885 26.26588 
1 1 1  -56   14   20 o   44.024   14.493  916.951  600.190 -1201.0150  2319.51  1068.94  621.351   44.344   21.406   47.034   14.675 -2.689735 25.95272 
1 1 1  -56   14   21 o   36.589   15.003  488.113  712.084  3390.72  2586.47  250.063  740.708   60.912   26.847   34.050   14.694 26.86201 30.60470 
1 1 1  -56   14   22 o   36.099   15.191  539.575  757.440  5717.92  2900.21  160.514  784.673   61.637   27.712   32.360   14.491 29.27761 31.27226 
1 1 1  -56   16    1 o  204.640   25.259 17683.44  4108.07   0.0000   0.0000 17683.44  4108.07  ?   ?   204.640   25.259 0.000000 25.25947 
1 1 1  -56   16    2 o  482.730   39.528 101320.20 15357.61   0.0000   0.0000 101320.20 15357.61  ?   ?   482.730   39.528 0.000000 39.52809 
1 1 1  -56   16    3 o  253.771   28.313 27356.51  5734.63   0.0000   0.0000 27356.51  5734.63  ?   ?   253.771   28.313 0.000000 28.31335 
1 1 1  -56   16    4 o  120.832   10.409  6000.72  1011.29   0.0000   0.0000  6000.72  1011.29  ?   ?   120.832   10.409 0.000000 10.40912 
1 1 1  -56   16    5 o  192.407   10.586 15159.11  1647.51 16455.94  3118.99 14657.24  1940.29  198.516   19.606  188.824   12.730 9.691788 23.37608 
1 1 1  -56   16    6 o  110.555   11.763  5055.18  1039.71   37.158  1899.84  7200.63  1242.25   55.627   23.760  132.173   11.696 -76.54646 26.48224 
1 1 1  -56   16    7 o  265.716   15.886 29216.13  3411.77 27381.56  5260.72 30547.89  4482.20  253.262   25.948  270.018   20.599 -16.75609 33.13079 
1 1 1  -56   16    8 o  389.452   29.516 65800.77  9264.37   0.0000   0.0000 65800.77  9264.37  ?   ?   389.452   29.516 0.000000 29.51641 
1 1 1  -56   16    9 o  236.838   14.997 23313.75  2869.06 19867.18  4420.08 25823.16  3771.57  213.609   26.022  247.657   18.898 -34.04861 32.16045 
1 1 1  -56   16   10 o  198.738   10.194 16258.71  1639.43 13172.39  3406.19 17189.25  1870.32  172.902   24.987  204.032   11.334 -31.13078 27.43762 
1 1 1  -56   16   11 o  101.403   10.931  4288.47  885.811 -1023.3200  1910.08  5743.89  999.828   47.990   21.935  117.604   10.584 -69.61438 24.35459 
1 1 1  -56   16   12 o  216.699   10.809 19431.82  1901.96 17482.04  3922.07 20031.32  2174.79  196.414   25.172  219.103   12.274 -22.68912 28.00479 
1 1 1  -56   16   13 o  115.789   8.5930  5551.28  802.119  4462.73  2033.43  5751.88  872.902   97.018   25.484  117.706   9.2066 -20.68796 27.09595 
1 1 1  -56   16   14 o  157.495   9.7082 10330.85  1235.44  6950.90  2786.25 11158.00  1378.35  117.439   29.312  163.381   10.445 -45.94238 31.11720 
1 1 1  -56   16   15 o   58.181   12.289  1481.96  562.342  273.907  1979.09  1588.06  586.517   54.570   23.781   60.240   12.404 -5.670582 26.82199 
1 1 1  -56   16   16 o   62.307   11.700  1696.65  570.203  1875.49  1976.58  1680.41  595.521   65.801   25.651   61.795   12.301 4.006912 28.44850 
1 1 1  -56   16   17 o   26.429   11.729 -122.8362  502.045  4690.19  2272.76 -369.7379  514.761   90.988   28.013   24.099   11.149 66.88833 30.15000 
1 1 1  -56   16   18 o  108.424   10.427  5082.67  906.604  6233.90  2698.84  4936.23  962.537   98.180   30.576  106.264   11.330 -8.084114 32.60746 
1 1 1  -56   16   19 o   66.217   14.697  2095.71  769.566  6030.49  2624.14  1725.46  804.959   91.164   30.318   59.027   16.271 32.13762 34.40806 
1 1 1  -56   16   20 o   97.688   15.990  4794.29  1224.39  7495.43  2740.00  4120.35  1368.64   93.845   30.969   85.634   20.039 8.211639 36.88662 
1 1 1  -56   16   21 o   47.520   17.964  1312.72  949.068  2216.92  3106.87  1219.66  996.711   51.569   24.863   46.226   18.159 5.342941 30.78836 
1 1 1  -56   18    1 o  141.910   27.885  8766.71  3098.50   0.0000   0.0000  8766.71  3098.50  ?   ?   141.910   27.885 0.000000 27.88500 
1 1 1  -56   18    2 o  180.062   28.714 14027.50  4057.13   0.0000   0.0000 14027.50  4057.13  ?   ?   180.062   28.714 0.000000 28.71416 
1 1 1  -56   18    3 o  217.517   28.135 20332.71  4852.70   0.0000   0.0000 20332.71  4852.70  ?   ?   217.517   28.135 0.000000 28.13531 
1 1 1  -56   18    4 o  152.303   12.836  9574.64  1572.59   0.0000   0.0000  9574.64  1572.59  ?   ?   152.303   12.836 0.000000 12.83619 
1 1 1  -56   18    5 o  173.484   11.657 12380.63  1632.57  9487.88  3323.35 13300.74  1874.32  146.713   28.926  179.577   12.941 -32.86441 31.68891 
1 1 1  -56   18    6 o  234.417   14.734 22748.45  2790.18 14892.06  5067.98 26165.49  3342.32  180.764   35.795  250.872   16.500 -70.10822 39.41522 
1 1 1  -56   18    7 o   25.557   10.777   26.891  382.451   35.552  1273.71   26.032  400.953   45.621   19.469   26.126   11.027 19.49513 22.37505 
1 1 1  -56   18    8 o   55.055   13.673  1302.12  608.432  1168.35  1424.79  1331.96  672.868   58.974   22.070   55.683   14.675 3.290699 26.50364 
1 1 1  -56   18    9 o  281.465   17.065 33383.06  3881.73 32586.18  6033.53 33945.84  5070.41  270.052   27.919  280.139   22.480 -10.08713 35.84476 
1 1 1  -56   18   10 o  220.398   14.671 20402.01  2610.53 20017.02  4214.73 20641.64  3325.14  211.822   24.986  219.351   18.853 -7.529480 31.30073 
1 1 1  -56   18   11 o  155.440   12.065 10103.50  1510.87  6390.50  2944.10 11430.96  1760.36  114.488   30.936  164.907   13.259 -50.41853 33.65801 
1 1 1  -56   18   12 o  150.083   9.0419  9323.45  1096.72  7630.50  2647.36  9674.18  1204.98  126.887   26.548  152.647   9.7733 -25.75996 28.29021 
1 1 1  -56   18   13 o   76.460   9.0270  2449.69  549.613  520.197  1783.16  2652.24  577.741   55.001   23.236   79.577   9.1053 -24.57608 24.95619 
1 1 1  -56   18   14 o   76.486   9.3484  2465.32  568.487  546.101  1875.22  2659.56  596.561   55.517   23.656   79.456   9.4309 -23.93879 25.46678 
1 1 1  -56   18   15 o   33.228   12.341  380.392  443.876 -1332.5210  1802.66  490.952  457.977   42.849   20.162   35.753   12.639 7.096523 23.79617 
1 1 1  -56   18   16 o  125.664   9.7597  6689.33  988.022  6612.07  3033.12  6698.50  1045.02  104.053   32.415  125.427   10.354 -21.37471 34.02881 
1 1 1  -56   18   17 o   55.390   13.390  1402.93  595.545  1655.92  2362.47  1385.76  615.420   62.524   26.595   54.896   13.817 7.628460 29.96996 
1 1 1  -56   18   18 o  147.780   10.654  9525.91  1269.88  8195.97  3530.75  9723.50  1360.95   99.236   35.092  148.611   11.365 -49.37545 36.88593 
1 1 1  -56   18   19 o  113.773   15.996  6377.34  1436.85  2409.69  3415.76  7230.35  1583.79   60.465   28.225  120.352   16.653 -59.88639 32.77182 
1 1 1  -56   18   20 o   17.916   8.9758 -1396.6860  557.358 -1107.1940  2853.83 -1408.1660  568.302   44.190   21.828   18.141   9.0849 26.04954 23.64320 
1 1 1  -56   18   21 o   34.601   15.580  264.948  920.700  274.995  3361.56  264.134  957.306   43.950   22.023   34.938   15.794 9.012642 27.10117 
1 1 1  -56   20    1 o  160.976   27.315 11342.50  3442.69   0.0000   0.0000 11342.50  3442.69  ?   ?   160.976   27.315 0.000000 27.31542 
1 1 1  -56   20    2 o  254.743   30.518 28474.02  6186.78   0.0000   0.0000 28474.02  6186.78  ?   ?   254.743   30.518 0.000000 30.51807 
1 1 1  -56   20    3 o   77.717   12.072  2536.49  737.079   0.0000   0.0000  2536.49  737.079  ?   ?    77.717   12.072 0.000000 12.07213 
1 1 1  -56   20    4 o  207.553   15.765 17948.15  2636.92   0.0000   0.0000 17948.15  2636.92  ?   ?   207.553   15.765 0.000000 15.76477 
1 1 1  -56   20    5 o  362.375   19.471 55306.72  5708.03 37980.27 10617.89 62349.36  6769.41  274.858   49.392  383.043   21.856 -108.1844 54.01155 
1 1 1  -56   20    6 o  365.726   18.083 56120.21  5369.83 44752.71  9742.87 61079.96  6435.53  306.405   40.125  378.915   20.999 -72.50974 45.28790 
1 1 1  -56   20    7 o   64.355   14.666  1789.12  749.271   0.0000   0.0000  1789.12  749.271  ?   ?    64.355   14.666 0.000000 14.66564 
1 1 1  -56   20    8 o  295.772   18.904 37328.31  4516.26 33436.66  7138.21 39925.93  5831.90  266.385   33.760  301.523   24.020 -35.13834 41.43257 
1 1 1  -56   20    9 o   42.871   14.753  710.913  621.599  924.577  1691.69  677.562  668.353   58.612   23.453   42.862   15.256 15.75000 27.97806 
1 1 1  -56   20   10 o  349.448   22.906 54276.27  6463.35 42965.50  9811.55 62947.44  8590.74  280.007   44.655  366.987   29.068 -86.98016 53.28225 
1 1 1  -56   20   11 f   88.122   15.072  3375.86  1039.69  3623.87  2505.84  3324.29  1142.68   87.254   29.629   86.777   16.825 0.4763718 34.07232 
1 1 1  -56   20   12 o  148.595   9.4118  9184.46  1129.71  8576.51  3260.20  9267.42  1204.32  129.143   31.396  149.035   10.010 -19.89136 32.95316 
1 1 1  -56   20   13 o   60.163   10.149  1548.68  478.131  1658.11  2318.63  1543.82  488.633   67.480   27.295   59.993   10.408 7.486778 29.21255 
1 1 1  -56   20   14 o   84.091   9.4695  2987.74  635.313  1972.09  2365.71  3066.68  659.541   68.846   27.668   85.121   9.7167 -16.27504 29.32472 
1 1 1  -56   20   15 o   85.738   9.9581  3135.29  680.335  2822.25  2503.87  3160.25  706.931   74.019   28.866   85.926   10.340 -11.90627 30.66250 
1 1 1  -56   20   16 o   36.398   13.223  511.113  505.073  783.594  2581.48  500.268  515.027   58.944   26.348   36.323   13.329 22.62123 29.52789 
1 1 1  -56   20   17 o   52.766   13.883  1302.67  602.827 -251.6956  2705.10  1383.90  618.378   52.833   24.808   54.363   13.942 -1.530617 28.45764 
1 1 1  -56   20   18 o  101.063   18.562  5273.14  1467.07 -207.5832  3474.51  6462.27  1618.41   53.645   25.968  112.271   18.390 -58.62608 31.82074 
1 1 1  -56   20   19 o   82.615   20.425  4004.78  1362.38  2641.36  3577.34  4236.06  1473.41   56.785   27.195   83.295   21.603 -26.51046 34.73114 
1 1 1  -56   20   20 o   58.378   19.758  2275.21  1114.26 11775.38  3775.83  1368.95  1166.20   81.067   34.006   46.805   19.197 34.26141 39.05040 
1 1 1  -56   22    1 o  196.311   30.733 17415.15  4738.03   0.0000   0.0000 17415.15  4738.03  ?   ?   196.311   30.733 0.000000 30.73274 
1 1 1  -56   22    2 o  133.740   13.586  7471.46  1454.84   0.0000   0.0000  7471.46  1454.84  ?   ?   133.740   13.586 0.000000 13.58592 
1 1 1  -56   22    3 o   51.975   12.548  1159.20  523.536   0.0000   0.0000  1159.20  523.536  ?   ?    51.975   12.548 0.000000 12.54803 
1 1 1  -56   22    4 o  162.572   15.100 11097.58  1970.43   0.0000   0.0000 11097.58  1970.43  ?   ?   162.572   15.100 0.000000 15.09967 
1 1 1  -56   22    5 o  190.058   14.251 15112.03  2183.25 10501.46  4830.08 16295.92  2447.55  144.388   39.881  196.907   15.432 -52.51968 42.76236 
1 1 1  -56   22    6 f   97.011   13.282  3978.89  1018.76  5662.08  2852.49  3732.81  1090.70  109.356   30.808   93.446   14.873 15.90948 34.21056 
1 1 1  -56   22    7 o   94.026   13.894  3764.47  1028.82  963.218  2724.16  4230.49  1111.11   69.106   28.931   99.711   14.118 -30.60416 32.19175 
1 1 1  -56   22    8 o  176.195   15.431 13189.88  2185.38  9227.66  4204.31 14656.76  2558.12  133.341   37.345  184.802   17.247 -51.46140 41.13583 
1 1 1  -56   22    9 o  168.637   15.502 12151.12  2098.85  6666.76  4066.75 14142.29  2450.41  112.218   37.747  181.234   16.845 -69.01611 41.33457 
1 1 1  -56   22   10 o   66.868   27.133  1394.06  2298.89  1394.06  2298.89   0.0000   0.0000   66.868   27.133  ?   ?  0.000000 27.13309 
1 1 1  -56   22   11 o  178.325   16.630 13871.57  2380.09  7012.40  4341.55 16818.73  2845.84  109.643   38.898  195.212   18.163 -85.56841 42.92902 
1 1 1  -56   22   12 o   33.333   10.900  452.063  339.721  582.306  2643.87  449.877  342.561   62.645   27.388   33.312   10.948 29.33266 29.49554 
1 1 1  -56   22   13 o   30.383   10.751  345.487  331.462 -4900.8110  3045.36  408.383  333.443   45.880   22.641   32.019   10.808 13.86148 25.08888 
1 1 1  -56   22   14 o   98.215   9.6609  4092.78  760.466  1779.96  3311.97  4221.51  781.341   69.787   30.579   99.709   9.7766 -29.92250 32.10375 
1 1 1  -56   22   15 o   73.031   10.648  2319.46  612.818  388.393  3089.25  2398.56  625.243   60.109   27.629   74.273   10.674 -14.16439 29.61919 
1 1 1  -56   22   16 o   52.134   13.379  1260.59  569.173  1626.13  3523.06  1250.79  576.749   63.862   29.410   51.872   13.546 11.98970 32.37964 
1 1 1  -56   22   17 o   35.696   16.203 -158.6397  1019.77  2100.41  3399.69 -381.9940  1068.99   61.223   28.438   34.837   16.099 26.38631 32.67854 
1 1 1  -56   22   18 o   94.559   19.507  4979.27  1448.03 -167.0261  4251.67  5654.53  1540.10   52.047   25.872  100.973   19.491 -48.92594 32.39193 
1 1 1  -56   22   19 o   36.890   16.732  236.011  1084.83   35.897  4114.27  250.964  1124.63   47.223   23.758   37.361   16.981 9.861874 29.20303 
1 1 1  -56   24    1 o  185.471   15.577 14495.51  2324.07   0.0000   0.0000 14495.51  2324.07  ?   ?   185.471   15.577 0.000000 15.57675 
1 1 1  -56   24    2 o  101.840   14.270  4401.21  1147.56   0.0000   0.0000  4401.21  1147.56  ?   ?   101.840   14.270 0.000000 14.26956 
1 1 1  -56   24    3 o   49.566   14.223  1050.51  602.307   0.0000   0.0000  1050.51  602.307  ?   ?    49.566   14.223 0.000000 14.22299 
1 1 1  -56   24    4 o   70.529   16.133  2174.69  903.862   0.0000   0.0000  2174.69  903.862  ?   ?    70.529   16.133 0.000000 16.13333 
1 1 1  -56   24    5 o  199.753   14.792 16837.25  2382.02 18530.50  5785.05 16491.57  2613.89  190.634   38.696  196.773   16.513 -6.138306 42.07166 
1 1 1  -56   24    6 f  193.174   17.735 16070.14  2750.73   0.0000   0.0000 16070.14  2750.73  ?   ?   193.174   17.735 0.000000 17.73532 
1 1 1  -56   24    7 o  176.177   15.260 13231.20  2161.32 14125.87  4880.81 13012.97  2410.55  164.267   37.428  173.526   17.341 -9.259323 41.25015 
1 1 1  -56   24    8 o  162.615   15.019 11314.93  1960.73 10541.76  4577.69 11488.64  2169.85  137.685   39.112  162.943   16.634 -25.25826 42.50202 
1 1 1  -56   24    9 o  149.882   16.492  9782.77  1973.83  4132.68  4209.06 11375.58  2234.80   92.395   36.985  161.169   17.351 -68.77343 40.85308 
1 1 1  -56   24   10 o   79.885   18.130  2905.76  1149.04  1104.77  2590.91  3346.71  1282.01   65.889   27.931   85.482   18.966 -19.59361 33.76220 
1 1 1  -56   24   11 o  162.128   16.607 11631.41  2155.32  8493.61  4519.54 12555.09  2452.12  114.635   39.761  166.982   18.391 -52.34756 43.80802 
1 1 1  -56   24   12 o  133.753   9.7611  7535.91  1052.76  4062.71  4043.40  7788.48  1090.37   85.226   35.425  135.891   9.9512 -50.66547 36.79633 
1 1 1  -56   24   13 o   37.853   11.283  622.308  372.899  1986.95  2853.93  598.606  376.124   68.745   29.235   37.248   11.384 31.49633 31.37361 
1 1 1  -56   24   14 o   36.605   12.105  567.565  418.584 -1751.5950  3031.10  612.652  422.633   51.818   24.873   37.707   12.145 14.11069 27.67997 
1 1 1  -56   24   15 o   71.037   21.000  2682.56  1295.70  2569.49  3572.42  2699.69  1390.38   67.441   30.498   70.520   21.943 -3.078957 37.57162 
1 1 1  -56   24   16 o   26.853   13.130 -1428.5010  951.268  482.367  3628.85 -1569.5000  985.740   56.400   27.111   26.875   13.187 29.52485 30.14767 
1 1 1  -56   24   17 o   60.029   21.702  2262.89  1357.99 -1370.7830  4948.67  2558.80  1412.20   51.712   26.022   63.147   22.208 -11.43570 34.20967 
1 1 1  -56   24   18 o   39.379   17.112  580.743  1018.69 -4769.5059  5176.66  796.274  1039.00   44.375   22.728   41.567   17.658 2.808590 28.78094 
1 1 1  -56   26    1 o   75.555   16.333  2502.87  972.785   0.0000   0.0000  2502.87  972.785  ?   ?    75.555   16.333 0.000000 16.33280 
1 1 1  -56   26    2 o  157.378   16.671 10624.20  2097.88   0.0000   0.0000 10624.20  2097.88  ?   ?   157.378   16.671 0.000000 16.67093 
1 1 1  -56   26    3 o   80.834   16.732  2873.31  1062.01   0.0000   0.0000  2873.31  1062.01  ?   ?    80.834   16.732 0.000000 16.73180 
1 1 1  -56   26    4 o  219.629   19.169 21035.44  3384.22   0.0000   0.0000 21035.44  3384.22  ?   ?   219.629   19.169 0.000000 19.16927 
1 1 1  -56   26    5 o  121.157   15.869  6343.08  1523.58   0.0000   0.0000  6343.08  1523.58  ?   ?   121.157   15.869 0.000000 15.86890 
1 1 1  -56   26    6 o   88.156   16.828  3437.17  1160.62  3250.35  4021.21  3454.15  1212.21   87.924   35.807   88.082   17.565 -0.1582947 39.88295 
1 1 1  -56   26    7 o  137.335   16.169  8209.07  1768.54  3894.77  4809.38  8883.68  1901.79   92.335   38.529  142.592   16.745 -50.25701 42.01025 
1 1 1  -56   26    8 o  273.634   19.242 33385.59  4247.98 26440.37  8747.09 35529.20  4859.52  186.735   54.382  279.108   21.611 -92.37244 58.51867 
1 1 1  -56   26    9 o  214.462   19.385 20784.34  3339.18 15151.33  6871.52 22525.76  3820.62  139.184   48.983  220.684   21.599 -81.49997 53.53357 
1 1 1  -56   26   10 o  175.783   18.559 14037.13  2608.87  7674.23  5741.29 15692.85  2928.70  102.729   42.416  184.558   19.856 -81.82845 46.83361 
1 1 1  -56   26   11 o  122.380   17.120  6822.50  1654.67  7625.47  4021.75  6658.88  1815.44  105.978   37.455  119.094   19.445 -13.11637 42.20141 
1 1 1  -56   26   12 o  120.500   18.416  6837.68  1744.61  5463.48  4670.77  7060.49  1880.73   86.732   37.155  121.241   19.787 -34.50855 42.09557 
1 1 1  -56   26   13 o   23.875   11.784 -1631.0270  826.571 -1784.0200  3343.83 -1621.0699  853.045   53.378   25.750   24.494   12.067 28.88476 28.43740 
1 1 1  -56   26   14 o   35.711   16.623 -577.2867  1171.41 -2121.6621  3728.32 -408.1319  1233.90   52.680   25.808   37.714   17.382 14.96659 31.11524 
1 1 1  -56   26   15 o   43.324   18.685  527.925  1196.36  672.460  4186.84  515.074  1248.41   57.475   27.980   43.692   18.965 13.78322 33.80191 
1 1 1  -56   26   16 o   54.525   21.467  1816.99  1395.84  4062.85  4648.87  1594.46  1463.36   59.966   29.256   52.271   21.479 7.694519 36.29439 
1 1 1  -56   26   17 o   81.721   25.205  5234.27  1839.00  3152.71  6246.39  5431.81  1924.29   51.560   26.287   81.681   25.873 -30.12062 36.88370 
1 1 1  -56   28    1 o   48.751   17.470  908.157  877.907   0.0000   0.0000  908.157  877.907  ?   ?    48.751   17.470 0.000000 17.47038 
1 1 1  -56   28    2 o  169.548   17.492 12530.75  2373.50   0.0000   0.0000 12530.75  2373.50  ?   ?   169.548   17.492 0.000000 17.49214 
1 1 1  -56   28    3 o  251.829   19.778 28095.38  4011.59   0.0000   0.0000 28095.38  4011.59  ?   ?   251.829   19.778 0.000000 19.77791 
1 1 1  -56   28    4 o  211.260   19.212 19793.18  3259.53   0.0000   0.0000 19793.18  3259.53  ?   ?   211.260   19.212 0.000000 19.21203 
1 1 1  -56   28    5 o   81.190   19.123  3019.70  1239.86   0.0000   0.0000  3019.70  1239.86  ?   ?    81.190   19.123 0.000000 19.12287 
1 1 1  -56   28    6 o   50.225   17.554  1031.88  881.768 -1597.5280  5403.23  1103.83  893.749   72.987   34.514   51.435   17.690 21.55234 38.78386 
1 1 1  -56   28    7 o  109.499   18.138  5434.70  1556.21  5553.73  5671.85  5425.01  1618.32   96.143   41.058  108.868   18.998 -12.72479 45.24092 
1 1 1  -56   28    8 o   93.835   38.155  5475.57  4557.31  4718.83  5490.05  7152.65  8172.94   90.305   39.475   98.009   45.009 -7.703911 59.86684 
1 1 1  -56   28    9 o  149.698   18.497 10318.88  2200.44  9665.33  6540.01 10402.31  2336.67  104.779   44.395  149.080   19.793 -44.30163 48.60722 
1 1 1  -56   28   10 o  197.950   21.088 18920.50  3337.31 11653.28  7799.29 20549.35  3692.42  101.489   45.551  203.869   22.691 -102.3795 50.89014 
1 1 1  -56   28   11 o  106.197   20.272  5567.00  1684.30  6031.89  5848.08  5524.95  1758.82   84.083   38.412  104.710   21.409 -20.62713 43.97517 
1 1 1  -56   28   12 o   76.495   22.630  3191.21  1504.14  9681.91  4612.78  2418.95  1591.11   99.693   39.097   66.452   23.551 33.24108 45.64186 
1 1 1  -56   28   13 o   23.849   11.862 -1934.3480  898.866 -1438.8650  3784.13 -1963.9771  925.351   53.340   26.103   24.261   12.061 29.07860 28.75487 
1 1 1  -56   28   14 o   48.100   20.708  933.154  1464.02  5995.37  5245.67  505.539  1524.60   67.596   32.518   45.343   20.260 22.25211 38.31320 
1 1 1  -56   28   15 o   63.771   23.676  2930.66  1633.39 13486.51  6498.29  2218.77  1687.57   69.364   34.000   56.559   23.133 12.80434 41.12327 
1 1 1  -56   30    1 o  180.468   19.877 14728.94  2864.41   0.0000   0.0000 14728.94  2864.41  ?   ?   180.468   19.877 0.000000 19.87739 
1 1 1  -56   30    2 f  137.778   19.358  8607.36  2105.81   0.0000   0.0000  8607.36  2105.81  ?   ?   137.778   19.358 0.000000 19.35764 
1 1 1  -56   30    3 o   46.159   17.873  700.744  954.610   0.0000   0.0000  700.744  954.610  ?   ?    46.159   17.873 0.000000 17.87311 
1 1 1  -56   30    4 o  162.701   18.702 11981.98  2425.75   0.0000   0.0000 11981.98  2425.75  ?   ?   162.701   18.702 0.000000 18.70205 
1 1 1  -56   30    5 o   52.614   19.312  1119.12  1081.24   0.0000   0.0000  1119.12  1081.24  ?   ?    52.614   19.312 0.000000 19.31166 
1 1 1  -56   30    6 o   71.560   21.097  2476.93  1309.30   0.0000   0.0000  2476.93  1309.30  ?   ?    71.560   21.097 0.000000 21.09722 
1 1 1  -56   30    7 o   75.019   34.905  1459.12  5156.56  3482.69  6783.40 -1310.9410  7936.60   83.436   39.213   76.276   37.425 7.159691 54.20613 
1 1 1  -56   30    8 o  127.442   19.796  7781.08  1982.00  3584.54  7361.97  8109.01  2057.98   81.204   38.922  129.752   20.190 -48.54784 43.84740 
1 1 1  -56   30    9 f   74.489   21.909  2879.33  1413.52 -7669.4849  6771.37  3359.96  1445.36   60.323   30.366   80.777   21.613 -20.45380 37.27184 
1 1 1  -56   30   10 f   40.052   17.820  -1.2035  1165.95  2012.89  6105.50 -77.4350  1187.81   70.065   34.035   39.774   17.819 30.29145 38.41793 
1 1 1  -56   30   11 o   59.903   21.752  1929.61  1366.54  2638.48  6645.98  1898.32  1396.38   67.488   33.331   59.498   21.930 7.990143 39.89866 
1 1 1  -56   30   12 o   49.603   21.081  1029.52  1482.14 -3107.8491  7344.44  1205.16  1513.27   57.571   29.270   51.225   21.510 6.346272 36.32370 
1 1 1  -56   30   13 f   73.228   24.409  3690.69  1700.57  1498.64  7588.22  3806.61  1744.95   57.194   29.143   73.899   24.726 -16.70456 38.21884 
1 1 1  -56   30   14 o   65.095   24.184  3314.49  1704.68  8822.93  6895.00  2955.87  1759.29   58.392   29.544   60.985   24.072 -2.593590 38.10882 
1 1 1  -56   32    1 o   65.119   22.787  2005.11  1485.98   0.0000   0.0000  2005.11  1485.98  ?   ?    65.119   22.787 0.000000 22.78697 
1 1 1  -56   32    2 o   42.815   18.194  272.192  1103.65   0.0000   0.0000  272.192  1103.65  ?   ?    42.815   18.194 0.000000 18.19359 
1 1 1  -56   32    3 o  106.887   21.957  5616.73  1841.83   0.0000   0.0000  5616.73  1841.83  ?   ?   106.887   21.957 0.000000 21.95670 
1 1 1  -56   32    4 o   64.408   22.206  2017.76  1408.71   0.0000   0.0000  2017.76  1408.71  ?   ?    64.408   22.206 0.000000 22.20638 
1 1 1  -56   32    5 o   93.643   43.976 10389.98  8504.31   0.0000   0.0000 10389.98  8504.31  ?   ?    93.643   43.976 0.000000 43.97647 
1 1 1  -56   32    6 o   66.950   21.882  2294.36  1369.20   0.0000   0.0000  2294.36  1369.20  ?   ?    66.950   21.882 0.000000 21.88212 
1 1 1  -56   32    7 o   46.559   19.283  669.262  1191.91   0.0000   0.0000  669.262  1191.91  ?   ?    46.559   19.283 0.000000 19.28321 
1 1 1  -56   32    8 o   56.871   21.349  1607.09  1335.25  2580.44  9734.47  1588.43  1347.99   71.166   35.897   56.682   21.414 14.48426 41.79928 
1 1 1  -56   32    9 o   36.417   16.821 -406.3244  1164.81  3863.07  8400.12 -490.0260  1176.17   68.317   34.313   36.045   16.737 32.27187 38.17762 
1 1 1  -56   32   10 f   41.869   18.343  370.957  1191.34 19235.45  8243.14 -31.4781  1203.98   83.757   40.411   38.906   17.639 44.85107 44.09294 
1 1 1  -56   32   11 o   55.633   22.221  1880.09  1515.63 11721.38  9101.89  1599.42  1537.09   64.996   32.998   53.032   21.926 11.96359 39.61835 
1 1 1  -56   34    1 o   57.008   23.233  1376.27  1694.44   0.0000   0.0000  1376.27  1694.44  ?   ?    57.008   23.233 0.000000 23.23278 
1 1 1  -56   34    2 o   69.004   24.687  2625.09  1752.29   0.0000   0.0000  2625.09  1752.29  ?   ?    69.004   24.687 0.000000 24.68693 
1 1 1  -56   34    3 o  106.375   25.939  6446.26  2220.31   0.0000   0.0000  6446.26  2220.31  ?   ?   106.375   25.939 0.000000 25.93945 
1 1 1  -56   34    4 o   83.065   40.471 11659.35  8810.91   0.0000   0.0000 11659.35  8810.91  ?   ?    83.065   40.471 0.000000 40.47108 
1 1 1  -56   34    5 o   26.548   12.845 -1125.4360  847.411   0.0000   0.0000 -1125.4360  847.411  ?   ?    26.548   12.845 0.000000 12.84471 
1 1 1  -56   34    6 o   34.074   16.133 -845.4219  1187.23   0.0000   0.0000 -845.4219  1187.23  ?   ?    34.074   16.133 0.000000 16.13279 
1 1 1  -56   34    7 o   50.879   21.175  1172.93  1447.20   0.0000   0.0000  1172.93  1447.20  ?   ?    50.879   21.175 0.000000 21.17477 
1 1 1  -56   34    8 o   55.837   22.529  1815.77  1575.32 -12595.7002 14227.55  1994.64  1585.07   57.108   29.600   57.511   22.802 -0.4029961 37.36405 
1 1 1  -55    1    1 o  274.964   16.581 30989.49  3684.60 32512.61  5197.87 29451.11  5223.87  280.455   23.029  266.532   24.409 13.92340 33.55813 
1 1 1  -55    1    2 o  162.790   13.619 10878.46  1783.67  9238.86  2508.61 12554.87  2536.61  148.611   21.407  174.279   18.194 -25.66797 28.09406 
1 1 1  -55    1    3 o  413.630   29.249 71185.58  9760.03 71185.58  9760.03   0.0000   0.0000  413.630   29.249  ?   ?  0.000000 29.24890 
1 1 1  -55    1    4 o  403.744   28.690 67844.30  9344.16 67844.30  9344.16   0.0000   0.0000  403.744   28.690  ?   ?  0.000000 28.69010 
1 1 1  -55    1    5 o  491.620   24.011 99615.66  9584.60 101500.70 13579.78 97744.48 13529.70  491.378   34.250  481.891   34.812 9.487488 48.83624 
1 1 1  -55    1    6 o  747.672   55.187 247604.00 33266.38   0.0000   0.0000 247604.00 33266.38  ?   ?   747.672   55.187 0.000000 55.18699 
1 1 1  -55    1    7 o  446.400   22.186 82141.38  8041.46 78636.34 11400.60 85611.86 11344.28  431.833   32.758  451.470   31.137 -19.63760 45.19515 
1 1 1  -55    1    8 o  192.281   11.117 15123.70  1728.28 15728.73  2462.20 14536.07  2426.51  195.397   15.651  187.717   16.075 7.679474 22.43529 
1 1 1  -55    1    9 o  429.661   21.421 76274.70  7473.09 81807.67 10585.46 70776.94 10551.71  440.524   29.769  408.398   32.078 32.12573 43.76273 
1 1 1  -55    1   10 o  279.166   14.858 32032.42  3355.78 33001.68  4768.94 31081.76  4722.96  281.675   21.002  273.167   21.466 8.508179 30.03177 
1 1 1  -55    1   11 o  325.531   17.085 43763.80  4500.13 40952.53  6382.82 46542.43  6345.64  311.669   25.444  333.215   23.607 -21.54614 34.70832 
1 1 1  -55    1   12 o   43.330   14.200  740.661  576.442  1011.29  880.281  537.489  762.722   51.460   17.560   42.511   16.096 8.948902 23.82135 
1 1 1  -55    1   13 o  110.242   7.8758  4980.93  700.349  3503.40  1465.47  5418.26  797.288   89.838   20.537  114.902   8.6083 -25.06405 22.26857 
1 1 1  -55    1   14 o  212.632   10.236 18537.73  1767.32 18382.37  3193.70 18606.31  2121.82  208.440   19.082  212.201   12.368 -3.761475 22.73968 
1 1 1  -55    1   15 o  176.189   9.1700 12776.13  1307.32 11801.47  2478.95 13151.64  1538.68  165.783   18.745  178.341   10.675 -12.55765 21.57145 
1 1 1  -55    1   16 o   51.410   7.4809  1105.69  303.118  1346.47  440.493  889.117  417.757   56.290   10.004   45.404   11.360 10.88598 15.13695 
1 1 1  -55    1   17 o  169.770   7.6424 11857.66  1053.49 12093.14  1494.89 11625.32  1484.87  169.979   10.888  166.576   11.041 3.403320 15.50682 
1 1 1  -55    1   18 o  101.864   6.6115  4282.81  543.877  4265.12  756.843  4301.70  782.095  100.837   9.3501  101.170   9.6372 -0.3337097 13.42759 
1 1 1  -55    1   19 o   49.147   7.2874  1019.72  281.997  1153.40  394.193  879.598  403.582   51.647   9.7576   44.703   11.155 6.943367 14.82018 
1 1 1  -55    1   20 o   93.864   6.6996  3667.69  507.250  4475.16  735.691  2935.97  700.333  102.799   8.9018   82.316   10.733 20.48270 13.94450 
1 1 1  -55    1   21 o   43.509   8.9237  830.695  304.674  952.218  422.223  698.676  440.080   45.850   11.392   39.546   12.352 6.304153 16.80307 
1 1 1  -55    1   22 o   58.099   7.7565  1456.47  356.772  1785.00  514.639  1152.50  495.036   63.045   10.417   49.492   12.357 13.55286 16.16177 
1 1 1  -55    1   23 o   22.169   9.0194  117.103  254.836  389.067  378.733 -107.8924  344.481   30.749   11.404   21.069   9.5044 9.679321 14.84526 
1 1 1  -55    1   24 o   23.729   9.2966  195.454  260.612 -204.0283  390.993  514.819  349.594   20.841   9.6679   32.671   11.067 -11.82981 14.69497 
1 1 1  -55    3    1 o  146.590   12.907  8823.46  1520.55  8927.28  2106.05  8710.42  2197.64  146.673   18.066  144.651   19.184 2.022430 26.35162 
1 1 1  -55    3    2 o  136.293   11.827  7622.07  1295.86  9944.55  1489.50  391.161  2628.21  155.810   11.863   68.032   28.443 87.77725 30.81780 
1 1 1  -55    3    3 o  130.092   11.327  6943.67  1184.53  8621.73  1380.76  2266.49  2305.19  145.008   11.830   79.562   28.331 65.44561 30.70169 
1 1 1  -55    3    4 f  110.939   11.669  5068.60  1035.37  5068.60  1035.37   0.0000   0.0000  110.939   11.669  ?   ?  0.000000 11.66899 
1 1 1  -55    3    5 o  549.113   27.197 124846.40 12126.23 119997.20 17221.71 129614.70 17077.36  530.910   40.249  553.096   38.261 -22.18555 55.53320 
1 1 1  -55    3    6 o  218.598   11.962 19537.92  2115.16 18950.05  3072.73 20067.35  2916.00  214.344   17.817  220.876   16.376 -6.531265 24.19928 
1 1 1  -55    3    7 o  251.031   18.709 26005.78  3786.01   0.0000   0.0000 26005.78  3786.01  ?   ?   251.031   18.709 0.000000 18.70878 
1 1 1  -55    3    8 o  289.505   14.965 34383.40  3505.77 35883.53  5030.95 32967.33  4887.96  294.262   21.198  281.901   21.517 12.36111 30.20510 
1 1 1  -55    3    9 o  485.506   24.434 98168.73  9601.58 95566.66 13641.04 100723.80 13517.18  472.254   35.841  485.822   34.491 -13.56763 49.74147 
1 1 1  -55    3   10 o  410.636   20.696 69926.16  6878.30 73091.17  9785.67 66835.45  9670.12  415.608   29.183  396.745   30.246 18.86264 42.02933 
1 1 1  -55    3   11 o  113.998   7.2469  5311.28  667.310  5472.20  1402.64  5264.20  758.670  114.399   15.499  113.372   8.2992 1.027382 17.58140 
1 1 1  -55    3   12 o  310.880   13.060 39635.71  3296.67 41650.78  5867.03 38705.94  3985.29  314.554   23.134  306.012   16.096 8.542419 28.18223 
1 1 1  -55    3   13 o  160.014   8.3641 10476.81  1082.95 11600.13  2088.29 10063.60  1266.57  166.856   15.595  156.551   10.017 10.30496 18.53440 
1 1 1  -55    3   14 o  191.334   9.1090 14983.72  1415.14 17953.59  2645.59 13793.37  1674.90  207.189   15.846  182.834   11.338 24.35551 19.48464 
1 1 1  -55    3   15 o  100.327   8.0329  4148.12  648.887  2934.58  1296.54  4553.67  749.508   81.327   19.816  104.981   8.8760 -23.65427 21.71312 
1 1 1  -55    3   16 o  111.664   8.1011  5148.95  729.512  3934.41  1603.97  5465.71  819.138   92.879   21.666  114.882   8.8496 -22.00289 23.40356 
1 1 1  -55    3   17 o   45.746   9.8126  900.380  353.558 -230.1981  994.513  1063.94  378.269   37.202   16.509   49.841   9.6961 -12.63942 19.14559 
1 1 1  -55    3   18 o   23.724   9.6927   93.448  295.860 -1255.3770  1209.58  179.280  305.128   34.086   16.180   25.864   10.080 8.221542 19.06302 
1 1 1  -55    3   19 o  106.407   9.9052  4798.58  845.964  3294.56  1622.84  5359.77  991.307   80.746   23.398  111.946   11.050 -31.19928 25.87585 
1 1 1  -55    3   20 o  113.103   10.319  5488.87  937.204  6723.13  1960.19  5123.11  1067.07  115.782   21.646  107.982   12.395 7.799728 24.94399 
1 1 1  -55    3   21 o   43.423   11.236  853.356  399.200 -1957.9160  1594.20  1041.43  412.337   35.402   17.241   48.138   10.813 -12.73619 20.35168 
1 1 1  -55    3   22 o   23.337   9.9636   41.203  333.833 -966.6604  1670.03   83.153  340.710   38.953   18.635   24.274   10.200 14.67900 21.24452 
1 1 1  -55    3   23 o   38.582   12.165  718.628  425.799 -155.8907  1563.17  788.717  442.533   39.408   18.614   40.208   12.358 -0.8001862 22.34250 
1 1 1  -55    3   24 o   26.755   11.564  138.802  460.287   0.0000   0.0000  138.802  460.287  ?   ?    26.755   11.564 0.000000 11.56438 
1 1 1  -55    5    1 o  638.458   25.115 167899.09 13019.90 160331.20 15833.55 183701.59 22879.79  620.605   31.525  657.498   43.095 -36.89362 53.39484 
1 1 1  -55    5    2 o  509.204   18.184 106094.20  7518.41 95508.70  9106.24 128762.00 13325.62  481.938   23.271  556.672   29.588 -74.73398 37.64254 
1 1 1  -55    5    3 o  302.943   18.159 37694.26  4446.13 42483.75  5869.91 31248.15  6809.82  320.678   22.690  272.477   31.351 48.20074 38.70078 
1 1 1  -55    5    4 o  146.010   13.674  8772.51  1602.25  8772.51  1602.25   0.0000   0.0000  146.010   13.674  ?   ?  0.000000 13.67400 
1 1 1  -55    5    5 o  333.274   24.623 46090.41  6615.90 46090.41  6615.90   0.0000   0.0000  333.274   24.623  ?   ?  0.000000 24.62267 
1 1 1  -55    5    6 f  266.741   12.979 29032.40  2811.15 35118.89  4085.61 23560.13  3873.97  292.305   17.291  238.621   20.184 53.68439 26.57742 
1 1 1  -55    5    7 o  135.961   12.000  7598.12  1311.12   0.0000   0.0000  7598.12  1311.12  ?   ?   135.961   12.000 0.000000 11.99971 
1 1 1  -55    5    8 o  289.597   15.736 34453.67  3686.33 29447.90  5326.09 39056.62  5107.30  265.222   25.028  307.145   20.598 -41.92343 32.41439 
1 1 1  -55    5    9 o  413.372   30.527 72345.77 10173.64 72345.77 10173.64   0.0000   0.0000  413.372   30.527  ?   ?  0.000000 30.52671 
1 1 1  -55    5   10 o  396.586   18.904 64903.49  6087.25 73636.30  8747.79 56704.91  8475.99  418.767   25.853  365.826   28.767 52.94147 38.67737 
1 1 1  -55    5   11 o  245.930   20.010 25226.48  3961.16 25226.48  3961.16   0.0000   0.0000  245.930   20.010  ?   ?  0.000000 20.01034 
1 1 1  -55    5   12 o   35.649   11.436  507.199  375.047 -164.1977  924.850  639.340  410.298   37.259   16.247   39.357   11.859 -2.098137 20.11473 
1 1 1  -55    5   13 o  228.252   12.757 21485.52  2354.81 22116.58  3530.30 20979.69  3160.69  229.404   19.127  224.008   17.517 5.396347 25.93610 
1 1 1  -55    5   14 f  150.340   10.103  9315.74  1226.17 11236.26  2005.45  8169.16  1549.55  163.698   15.264  139.801   13.832 23.89655 20.59904 
1 1 1  -55    5   15 o   98.049   9.4194  3988.25  740.670  1119.53  1334.75  5264.65  890.327   56.872   21.346  112.675   9.8301 -55.80299 23.50052 
1 1 1  -55    5   16 o  119.485   10.135  5950.32  973.965  2368.92  1750.85  7555.20  1172.05   73.134   24.767  134.504   10.823 -61.36960 27.02827 
1 1 1  -55    5   17 o   81.133   9.8816  2772.81  637.522  2096.13  1419.96  2943.65  713.474   68.004   22.287   83.347   10.796 -15.34306 24.76415 
1 1 1  -55    5   18 o  108.498   10.138  4966.90  882.815  4160.46  1747.95  5243.05  1022.86   92.239   23.324  110.901   11.528 -18.66144 26.01740 
1 1 1  -55    5   19 f   68.829   11.569  2067.22  623.640  1328.41  1529.23  2214.60  683.017   57.562   22.528   70.995   12.294 -13.43357 25.66444 
1 1 1  -55    5   20 o   21.304   9.5353 -122.0800  339.274 -285.2460  1178.85 -107.3446  354.263   38.552   17.469   22.029   9.8102 16.52309 20.03496 
1 1 1  -55    5   21 o   72.866   10.876  2353.05  623.782  701.197  1531.23  2681.72  683.026   48.892   21.113   77.713   11.143 -28.82050 23.87320 
1 1 1  -55    5   22 o   35.463   12.547  545.576  451.475  1881.04  1476.39  407.812  474.190   56.595   22.140   32.966   12.641 23.62908 25.49454 
1 1 1  -55    5   23 o   44.956   13.906  1039.20  559.321  497.034  1654.13  1109.19  594.328   42.949   19.910   46.138   14.345 -3.189537 24.53952 
1 1 1  -55    5   24 o   35.557   12.906  649.349  481.008   0.0000   0.0000  649.349  481.008  ?   ?    35.557   12.906 0.000000 12.90634 
1 1 1  -55    7    1 o  458.334   35.178 88317.12 12991.55   0.0000   0.0000 88317.12 12991.55  ?   ?   458.334   35.178 0.000000 35.17765 
1 1 1  -55    7    2 o  143.788   20.178  8639.55  2290.95   0.0000   0.0000  8639.55  2290.95  ?   ?   143.788   20.178 0.000000 20.17798 
1 1 1  -55    7    3 o  252.961   19.638 26392.93  4001.97 26392.93  4001.97   0.0000   0.0000  252.961   19.638  ?   ?  0.000000 19.63811 
1 1 1  -55    7    4 o  346.254   25.544 49801.76  7130.78 49801.76  7130.78   0.0000   0.0000  346.254   25.544  ?   ?  0.000000 25.54359 
1 1 1  -55    7    5 o  182.908   15.791 13781.29  2322.20 13781.29  2322.20   0.0000   0.0000  182.908   15.791  ?   ?  0.000000 15.79090 
1 1 1  -55    7    6 o  441.109   32.126 81968.01 11427.31 81968.01 11427.31   0.0000   0.0000  441.109   32.126  ?   ?  0.000000 32.12584 
1 1 1  -55    7    7 o  661.901   49.272 193623.80 26291.39 193623.80 26291.39   0.0000   0.0000  661.901   49.272  ?   ?  0.000000 49.27242 
1 1 1  -55    7    8 f  296.497   21.542 36505.91  5150.64   0.0000   0.0000 36505.91  5150.64  ?   ?   296.497   21.542 0.000000 21.54167 
1 1 1  -55    7    9 o  175.302   10.524 12579.94  1491.08 12909.77  2291.99 12337.90  1963.35  176.622   16.161  173.032   14.097 3.589554 21.44538 
1 1 1  -55    7   10 o  108.125   6.9282  4776.82  605.057  7039.77  1298.38  4149.06  683.851  130.622   12.390  100.567   8.4531 30.05563 14.99890 
1 1 1  -55    7   11 o  180.576   10.969 13375.24  1600.65 15244.06  2408.18 11896.17  2142.39  191.866   15.593  169.304   15.766 22.56252 22.17427 
1 1 1  -55    7   12 o  203.356   9.3169 16887.35  1538.40 20903.49  2882.28 15287.44  1819.19  224.463   15.918  192.820   11.675 31.64238 19.73998 
1 1 1  -55    7   13 o  152.435   8.5287  9522.10  1051.38  7522.57  2079.38 10208.86  1218.63  132.544   19.939  157.668   9.5641 -25.12479 22.11403 
1 1 1  -55    7   14 o  208.140   9.9095 17792.25  1674.73 19145.85  3141.30 17254.73  1979.51  212.249   18.410  204.093   11.998 8.156418 21.97425 
1 1 1  -55    7   15 f  160.051   8.8130 10559.26  1140.89 10642.80  2267.82 10530.96  1320.11  156.977   18.126  159.413   10.253 -2.436096 20.82458 
1 1 1  -55    7   16 o   30.298   11.387  289.254  380.074 -303.3709  1126.66  365.356  403.741   39.254   17.487   32.444   11.817 6.810329 21.10538 
1 1 1  -55    7   17 o  129.892   9.0101  7023.82  944.408  5140.04  1947.25  7603.21  1079.92  103.687   23.652  134.813   9.9356 -31.12562 25.65443 
1 1 1  -55    7   18 o   87.903   9.5873  3263.75  673.189  2401.15  1589.26  3452.36  743.153   70.658   23.598   90.158   10.338 -19.49970 25.76293 
1 1 1  -55    7   19 o   35.848   12.032  529.124  413.182 -1347.9080  1432.91  699.347  431.511   36.832   17.521   40.065   12.182 -3.232975 21.33973 
1 1 1  -55    7   20 o   76.204   10.049  2514.04  606.599  450.187  1733.84  2801.89  647.521   50.161   22.049   80.465   10.136 -30.30392 24.26668 
1 1 1  -55    7   21 o   30.595   11.701  322.019  405.547  195.640  1382.71  333.913  424.203   43.383   19.346   31.168   11.955 12.21513 22.74205 
1 1 1  -55    7   22 o   59.851   13.148  1723.66  621.503  1668.00  1960.91  1729.88  655.287   54.089   23.619   59.475   13.831 -5.385513 27.37081 
1 1 1  -55    7   23 o   29.438   12.241  249.029  483.033  1911.64  2062.06  152.501  496.857   50.444   22.953   28.266   12.114 22.17816 25.95334 
1 1 1  -55    7   24 o   25.696   11.706 -44.2348  538.359   0.0000   0.0000 -44.2348  538.359  ?   ?    25.696   11.706 0.000000 11.70589 
1 1 1  -55    9    4 o  257.658   20.284 27442.63  4209.27 27442.63  4209.27   0.0000   0.0000  257.658   20.284  ?   ?  0.000000 20.28391 
1 1 1  -55    9    5 o  564.662   41.261 137002.00 18786.62 137002.00 18786.62   0.0000   0.0000  564.662   41.261  ?   ?  0.000000 41.26090 
1 1 1  -55    9    6 o  214.930   17.786 19081.90  3076.05 19081.90  3076.05   0.0000   0.0000  214.930   17.786  ?   ?  0.000000 17.78599 
1 1 1  -55    9    7 o  260.891   12.767 27800.80  2704.47 34246.14  3958.14 22156.83  3703.90  288.407   16.977  231.090   19.935 57.31754 26.18436 
1 1 1  -55    9    8 o  188.716   10.336 14565.09  1577.81   0.0000   0.0000 14565.09  1577.81  ?   ?   188.716   10.336 0.000000 10.33624 
1 1 1  -55    9    9 o  148.996   7.5705  9059.70  912.868 11765.88  1844.07  8181.29  1050.63  168.996   13.553  141.385   9.2019 27.61058 16.38159 
1 1 1  -55    9   10 o   53.966   7.9041  1211.18  336.082  3814.05  1047.40  912.430  354.846   95.474   13.921   46.433   9.7235 49.04102 16.98019 
1 1 1  -55    9   11 o  126.818   7.6069  6575.90  779.677  6375.84  1697.23  6629.41  877.779  123.012   17.485  127.217   8.5473 -4.205284 19.46187 
1 1 1  -55    9   12 o  313.461   12.984 40402.45  3304.61 45769.07  5933.91 37989.78  3978.69  328.897   22.353  302.462   16.260 26.43463 27.64118 
1 1 1  -55    9   13 o   94.916   7.5733  3701.57  578.808  4382.79  1390.29  3558.74  636.600  101.014   17.590   92.903   8.5345 8.110298 19.55090 
1 1 1  -55    9   14 o  140.123   8.3683  8074.72  947.760  8929.69  1958.75  7813.36  1082.97  144.630   17.004  137.510   9.7628 7.119904 19.60739 
1 1 1  -55    9   15 o  208.894   10.293 18048.96  1745.78 16836.76  3288.49 18524.67  2060.05  195.228   21.080  210.569   12.100 -15.34172 24.30544 
1 1 1  -55    9   16 o  248.361   11.792 25817.72  2377.99 22615.32  4386.71 27150.40  2829.85  220.413   24.951  252.942   13.831 -32.52867 28.52762 
1 1 1  -55    9   17 o  122.201   8.9289  6226.80  879.814  6496.16  1930.11  6156.15  988.484  118.417   20.835  121.039   10.152 -2.621910 23.17618 
1 1 1  -55    9   18 o   45.670   13.320  919.763  524.434 -1724.6490  1430.72  1330.22  563.667   35.391   17.015   54.683   12.903 -19.29171 21.35399 
1 1 1  -55    9   19 o   62.653   11.641  1731.24  570.407 -37.0091  1642.25  1973.83  608.277   46.910   20.989   67.017   11.598 -20.10658 23.98041 
1 1 1  -55    9   20 o   32.178   12.837  290.847  505.295 -1603.8340  1669.75  481.847  530.153   38.126   18.343   35.951   13.461 2.174862 22.75182 
1 1 1  -55    9   21 o  106.502   10.780  5025.15  919.348  3622.32  2028.84  5387.62  1031.31   73.448   26.530  109.432   11.793 -35.98334 29.03292 
1 1 1  -55    9   22 o   32.009   13.072  315.639  537.851  396.689  1993.20  309.274  558.571   46.060   21.521   32.238   13.261 13.82214 25.27885 
1 1 1  -55    9   23 o   32.119   13.889  270.726  664.422  2814.86  2233.68   23.769  695.923   53.090   24.052   29.954   13.511 23.13583 27.58712 
1 1 1  -55   11    2 o  483.847   37.961 99602.72 14794.02   0.0000   0.0000 99602.72 14794.02  ?   ?   483.847   37.961 0.000000 37.96116 
1 1 1  -55   11    3 o  133.257   26.246  7604.23  2738.78   0.0000   0.0000  7604.23  2738.78  ?   ?   133.257   26.246 0.000000 26.24603 
1 1 1  -55   11    4 o  572.021   27.980 136209.00 12995.54 119001.90 17928.35 155259.50 18864.28  524.908   42.428  602.864   38.743 -77.95587 57.45507 
1 1 1  -55   11    5 o  454.397   33.817 87554.80 12387.47 87554.80 12387.47   0.0000   0.0000  454.397   33.817  ?   ?  0.000000 33.81657 
1 1 1  -55   11    6 o  534.514   30.611 120391.40 13230.18 87888.51 18906.88 151576.80 18519.73  439.703   54.098  593.687   38.629 -153.9835 66.47365 
1 1 1  -55   11    7 f  205.395   11.684 17277.27  1940.47 18116.57  2918.19 16612.01  2598.08  209.277   17.329  200.603   16.086 8.673798 23.64441 
1 1 1  -55   11    8 o  173.585   14.383 12428.86  2008.94   0.0000   0.0000 12428.86  2008.94  ?   ?   173.585   14.383 0.000000 14.38294 
1 1 1  -55   11    9 o  378.023   15.668 58733.75  4809.31 55369.96  8564.55 60282.91  5812.19  360.421   29.525  381.972   18.740 -21.55109 34.96986 
1 1 1  -55   11   10 o  421.453   17.138 73349.41  5864.59 76307.45 10396.33 71968.80  7102.52  421.235   30.605  415.152   21.140 6.083008 37.19645 
1 1 1  -55   11   11 o   88.314   7.5451  3202.09  535.854  2505.40  1256.99  3356.82  592.377   76.113   20.057   90.355   8.1625 -14.24149 21.65450 
1 1 1  -55   11   12 o   98.501   7.6600  3983.48  607.825  2945.43  1406.80  4221.73  673.980   82.019   21.026  101.332   8.2635 -19.31266 22.59139 
1 1 1  -55   11   13 o  134.514   8.2285  7432.68  894.406  7577.18  1872.18  7389.95  1018.10  133.076   17.771  133.883   9.4256 -0.8071136 20.11550 
1 1 1  -55   11   14 o  274.293   12.362 31279.89  2753.33 29847.61  5039.24 31889.43  3287.40  258.581   24.286  275.227   14.764 -16.64563 28.42132 
1 1 1  -55   11   15 o  179.112   9.4009 13287.45  1362.43 16327.47  2684.79 12233.06  1581.14  194.290   17.196  171.018   11.453 23.27228 20.66086 
1 1 1  -55   11   16 o   74.568   9.5763  2343.10  566.417  2548.72  1486.54  2308.18  612.633   73.895   22.640   73.725   10.533 0.1694870 24.97003 
1 1 1  -55   11   17 o  211.783   10.917 18909.20  1870.87 16401.22  3557.80 19867.76  2199.53  184.394   24.359  215.777   12.609 -31.38272 27.42894 
1 1 1  -55   11   18 o  114.051   9.5124  5492.96  872.867  4362.80  2057.83  5740.90  963.873   90.551   26.379  116.222   10.321 -25.67033 28.32629 
1 1 1  -55   11   19 o   71.395   12.296  2264.94  687.074  1518.83  1841.76  2385.56  740.533   59.650   24.256   72.974   12.973 -13.32398 27.50716 
1 1 1  -55   11   20 o   60.232   13.039  1672.05  619.212  249.424  1920.97  1837.00  654.128   49.345   22.335   63.126   13.187 -13.78095 25.93726 
1 1 1  -55   11   21 o   56.989   14.282  1582.87  659.550  873.787  1748.86  1700.44  712.135   49.561   21.948   58.694   14.913 -9.133266 26.53459 
1 1 1  -55   11   22 o   37.150   15.053  554.180  706.529  759.023  1799.81  516.862  768.195   45.770   21.057   37.246   15.458 8.523972 26.12167 
1 1 1  -55   11   23 o   26.650   12.004 -12.6461  547.166 -1614.2560  1926.83  127.837  570.658   34.493   17.190   28.658   12.622 5.835146 21.32589 
1 1 1  -55   13    1 o  436.137   34.847 80654.49 12237.31   0.0000   0.0000 80654.49 12237.31  ?   ?   436.137   34.847 0.000000 34.84708 
1 1 1  -55   13    2 o  424.815   34.562 76572.85 11818.28   0.0000   0.0000 76572.85 11818.28  ?   ?   424.815   34.562 0.000000 34.56192 
1 1 1  -55   13    3 o  437.135   35.740 81422.46 12574.73   0.0000   0.0000 81422.46 12574.73  ?   ?   437.135   35.740 0.000000 35.74047 
1 1 1  -55   13    4 o  342.849   31.003 49728.59  8537.22   0.0000   0.0000 49728.59  8537.22  ?   ?   342.849   31.003 0.000000 31.00269 
1 1 1  -55   13    5 o  277.065   17.025 31626.71  3811.55 23662.06  5762.27 37822.39  5082.23  235.361   30.899  302.031   20.851 -66.67015 37.27632 
1 1 1  -55   13    6 o  422.986   25.076 74768.80  8574.12 52879.43 12410.08 94760.31 11859.90  344.237   45.516  472.867   31.062 -128.6305 55.10463 
1 1 1  -55   13    7 o  128.278   9.9730  6750.57  1030.60  5696.50  1679.96  7386.65  1305.02  116.206   18.419  133.903   12.135 -17.69714 22.05690 
1 1 1  -55   13    8 o  327.170   24.348 44978.76  6421.77   0.0000   0.0000 44978.76  6421.77  ?   ?   327.170   24.348 0.000000 24.34803 
1 1 1  -55   13    9 o  120.060   10.207  5929.02  985.584  6784.06  1707.58  5501.88  1206.91  127.148   16.963  115.112   13.149 12.03535 21.46229 
1 1 1  -55   13   10 o  363.998   14.661 54589.77  4333.06 60646.04  7844.87 51930.96  5197.90  377.178   25.770  353.199   18.186 23.97916 31.54071 
1 1 1  -55   13   11 o  174.222   8.5093 12400.12  1203.75 16219.44  2528.39 11280.69  1368.84  197.124   15.933  165.636   10.228 31.48790 18.93326 
1 1 1  -55   13   12 o   56.635   9.0581  1346.13  402.507  2946.68  1415.23  1205.27  419.846   81.650   21.170   53.334   10.064 28.31635 23.44048 
1 1 1  -55   13   13 o  270.829   12.081 30409.95  2656.59 32302.39  4977.41 29656.11  3141.45  271.258   22.810  265.815   14.611 5.443115 27.08877 
1 1 1  -55   13   14 o   23.477   10.285 -79.6683  374.490   17.639  1267.99 -88.9671  391.975   44.523   19.219   23.926   10.501 20.59683 21.90096 
1 1 1  -55   13   15 o   37.211   12.274  559.719  430.421 -1301.0620  1408.56  751.367  452.043   37.777   17.790   41.931   12.406 -4.153542 21.68853 
1 1 1  -55   13   16 o   92.913   9.6340  3628.97  716.243  4739.23  1879.12  3440.25  774.728   99.054   23.684   90.044   10.813 9.010139 26.03565 
1 1 1  -55   13   17 o   81.903   10.462  2863.14  679.831  2585.19  1891.30  2904.38  728.523   72.607   25.682   82.213   11.205 -9.606056 28.02043 
1 1 1  -55   13   18 o   44.977   13.303  901.259  519.824  1611.57  1438.01  794.488  557.526   59.584   22.197   42.824   13.962 16.76011 26.22267 
1 1 1  -55   13   19 o   65.506   13.790  1970.53  710.250 -2774.3540  2011.21  2646.58  759.164   38.451   18.861   76.857   12.602 -38.40627 22.68346 
1 1 1  -55   13   20 o   70.210   27.593  3325.84  2302.23   0.0000   0.0000  3325.84  2302.23  ?   ?    70.210   27.593 0.000000 27.59307 
1 1 1  -55   13   21 o   32.859   13.934  237.315  645.142  1811.17  2298.97  102.781  672.151   55.123   24.736   31.714   13.839 23.40874 28.34446 
1 1 1  -55   13   22 o   33.561   14.060  377.289  644.170 -215.8673  2103.01  438.704  676.698   41.517   20.123   34.733   14.469 6.783794 24.78495 
1 1 1  -55   15    1 o  181.298   24.051 13843.44  3453.17   0.0000   0.0000 13843.44  3453.17  ?   ?   181.298   24.051 0.000000 24.05140 
1 1 1  -55   15    2 o  635.820   50.314 180309.00 25763.15   0.0000   0.0000 180309.00 25763.15  ?   ?   635.820   50.314 0.000000 50.31392 
1 1 1  -55   15    3 f  245.895   27.072 25517.64  5315.62   0.0000   0.0000 25517.64  5315.62  ?   ?   245.895   27.072 0.000000 27.07201 
1 1 1  -55   15    4 o  256.490   15.240 27053.31  3159.59 16861.78  5855.23 31240.12  3752.89  195.146   38.320  275.306   16.870 -80.16032 41.86922 
1 1 1  -55   15    5 o  200.284   12.820 16467.61  2073.85 11706.42  3724.91 18606.40  2496.56  164.669   28.914  212.618   14.549 -47.94899 32.36773 
1 1 1  -55   15    6 o  265.172   16.163 29003.86  3463.54 24342.42  5295.83 32487.97  4578.47  239.097   27.797  279.466   20.316 -40.36899 34.43000 
1 1 1  -55   15    7 o  188.336   13.313 14605.40  2022.68  9604.90  3184.23 17987.99  2618.93  148.804   27.363  208.604   15.574 -59.79970 31.48445 
1 1 1  -55   15    8 o  319.594   24.197 43145.81  6232.51   0.0000   0.0000 43145.81  6232.51  ?   ?   319.594   24.197 0.000000 24.19677 
1 1 1  -55   15    9 f  327.443   18.282 44694.54  4841.24 41869.06  7128.95 47112.80  6595.25  311.153   28.535  332.768   24.583 -21.61536 37.66401 
1 1 1  -55   15   10 o  168.902   9.1874 11701.67  1255.25  8839.07  2655.14 12525.64  1424.49  142.403   23.803  174.583   10.092 -32.18007 25.85422 
1 1 1  -55   15   11 o  156.065   10.974 10068.54  1381.75  9221.95  2496.77 10442.29  1658.96  145.560   21.796  158.382   13.015 -12.82210 25.38595 
1 1 1  -55   15   12 o   35.393   11.113  512.649  355.720 -926.5904  1382.56  614.677  368.112   40.007   18.424   38.212   11.164 1.795128 21.54247 
1 1 1  -55   15   13 o   74.889   8.9269  2339.69  532.125  3091.58  1735.15  2261.63  559.064   82.060   24.312   73.457   9.6031 8.602150 26.14006 
1 1 1  -55   15   14 o  113.082   8.6912  5303.61  791.911  5027.02  2040.09  5352.68  859.292  103.071   24.700  113.401   9.4175 -10.32980 26.43404 
1 1 1  -55   15   15 o   17.101   8.4144 -845.7997  410.364 -2193.6250  1463.92 -730.8578  427.504   34.450   16.719   18.465   8.9780 15.98550 18.97700 
1 1 1  -55   15   16 o  111.174   9.1445  5179.21  818.154  2739.73  2261.12  5546.72  877.620   75.284   27.875  114.940   9.4885 -39.65639 29.44612 
1 1 1  -55   15   17 o   25.536   11.075 -29.2733  425.014 -320.3415  1796.91 -12.0247  437.426   47.556   21.556   26.148   11.288 21.40780 24.33275 
1 1 1  -55   15   18 o   67.897   12.463  2057.61  661.749 -1864.2560  2162.15  2462.96  695.106   43.664   20.972   74.728   11.851 -31.06370 24.08936 
1 1 1  -55   15   19 o   46.652   15.400  1007.34  677.545  489.538  2288.90  1057.07  709.335   53.339   24.236   47.628   15.759 5.710560 28.90918 
1 1 1  -55   15   20 f   65.309   17.915  2244.21  978.615  2821.41  2642.38  2152.46  1053.53   63.202   27.513   63.000   19.008 0.2023048 33.44034 
1 1 1  -55   15   21 o   44.905   17.279  1040.00  887.787  1506.96  2790.36  987.406  936.448   51.743   24.566   44.337   17.543 7.405769 30.18672 
1 1 1  -55   15   22 o   46.008   17.614  1316.92  919.698  287.077  2598.01  1464.47  983.377   42.710   21.046   47.591   18.215 -4.880486 27.83364 
1 1 1  -55   17    1 o  382.748   32.968 62623.36 10145.86   0.0000   0.0000 62623.36 10145.86  ?   ?   382.748   32.968 0.000000 32.96829 
1 1 1  -55   17    2 o  696.517   57.112 225983.91 32015.56   0.0000   0.0000 225983.91 32015.56  ?   ?   696.517   57.112 0.000000 57.11210 
1 1 1  -55   17    3 o  649.837   53.562 194771.00 28010.15   0.0000   0.0000 194771.00 28010.15  ?   ?   649.837   53.562 0.000000 53.56228 
1 1 1  -55   17    4 o  242.319   14.554 24168.65  2850.22 17454.92  5498.11 26635.94  3333.05  198.916   35.336  254.014   16.245 -55.09734 38.89113 
1 1 1  -55   17    5 o  244.705   13.998 24639.58  2769.69 17858.27  5154.56 27392.24  3284.06  202.048   32.523  257.600   15.777 -55.55235 36.14793 
1 1 1  -55   17    6 o  311.104   20.347 40404.14  5111.41 26560.16  7774.97 50941.91  6783.32  241.692   41.089  347.568   24.187 -105.8755 47.67945 
1 1 1  -55   17    7 o  158.199   12.607 10331.10  1605.92  7756.85  2825.53 11559.48  1951.82  132.855   27.111  166.959   14.543 -34.10390 30.76512 
1 1 1  -55   17    8 o  288.208   16.808 34579.49  3916.25 34503.83  6026.12 34634.80  5152.70  282.761   26.558  285.736   22.388 -2.974457 34.73577 
1 1 1  -55   17    9 o   87.113   11.589  3172.89  799.355  4865.24  1670.74  2670.49  910.306  105.848   20.176   79.090   14.717 26.75835 24.97313 
1 1 1  -55   17   10 o  115.658   11.640  5569.50  1078.23  5066.68  2013.42  5771.69  1276.74  106.347   23.899  117.219   13.671 -10.87252 27.53296 
1 1 1  -55   17   11 o  189.744   13.671 15077.35  2092.17  9416.08  3534.83 18129.90  2595.63  140.350   31.760  207.258   15.537 -66.90831 35.35633 
1 1 1  -55   17   12 o  101.642   7.9263  4264.41  648.987  5563.56  1893.28  4091.43  690.842  111.074   21.771   99.390   8.6467 11.68465 23.42503 
1 1 1  -55   17   13 o  110.759   8.4474  5081.15  753.971  4158.89  2172.01  5207.51  803.963   92.891   27.112  112.011   8.9134 -19.12061 28.54008 
1 1 1  -55   17   14 o  142.754   8.9196  8465.15  1028.69 10585.48  2579.28  8064.08  1121.77  152.136   21.477  138.909   10.013 13.22719 23.69654 
1 1 1  -55   17   15 o   87.112   9.5492  3197.61  664.369  4908.80  2289.44  3040.26  694.243   97.571   27.640   84.662   10.312 12.90928 29.50111 
1 1 1  -55   17   16 o  113.602   9.5792  5444.01  875.356  9304.56  2445.17  4876.51  937.489  138.596   22.500  106.859   10.960 31.73608 25.02704 
1 1 1  -55   17   17 o   63.486   12.479  1796.75  620.339 -910.3193  2185.08  2034.06  646.958   48.142   22.507   67.768   12.206 -19.62527 25.60389 
1 1 1  -55   17   18 o   19.128   9.3838 -929.1604  498.411  2838.36  2082.99 -1157.9630  513.322   70.033   26.580   18.280   9.0699 51.75303 28.08509 
1 1 1  -55   17   19 o   84.869   16.104  3512.75  1069.11  367.556  2768.63  4063.93  1159.01   53.609   25.149   91.311   16.227 -37.70229 29.92958 
1 1 1  -55   17   20 o   35.781   14.881  394.669  714.065 -1130.4850  2683.35  510.903  740.775   44.986   22.008   37.600   15.347 7.386307 26.83017 
1 1 1  -55   17   21 o   72.612   19.377  3250.78  1163.65 -1476.3510  3302.48  3920.88  1243.39   43.033   21.600   80.515   19.275 -37.48181 28.94997 
1 1 1  -55   19    1 o  245.727   27.117 25785.26  5320.24   0.0000   0.0000 25785.26  5320.24  ?   ?   245.727   27.117 0.000000 27.11654 
1 1 1  -55   19    2 o  107.915   31.754  5109.02  2968.63   0.0000   0.0000  5109.02  2968.63  ?   ?   107.915   31.754 0.000000 31.75384 
1 1 1  -55   19    3 o  300.732   18.323 37586.41  4452.82   0.0000   0.0000 37586.41  4452.82  ?   ?   300.732   18.323 0.000000 18.32284 
1 1 1  -55   19    4 o  445.674   21.586 83060.84  7811.52 66024.04 14390.75 90177.67  9301.06  374.200   48.504  461.563   24.910 -87.36279 54.52689 
1 1 1  -55   19    5 o  216.412   13.686 19340.05  2392.42 14063.78  4648.25 21241.50  2790.41  176.835   33.601  226.384   15.270 -49.54886 36.90823 
1 1 1  -55   19    6 o  106.830   12.007  4743.66  1023.49  3036.31  2205.43  5212.29  1155.44   84.839   27.774  111.839   12.964 -27.00044 30.65053 
1 1 1  -55   19    7 o  180.749   16.676 13710.21  2419.87   0.0000   0.0000 13710.21  2419.87  ?   ?   180.749   16.676 0.000000 16.67640 
1 1 1  -55   19    8 o   58.098   14.413  1455.28  676.665  1037.14  1716.03  1532.26  736.328   60.644   23.826   59.569   15.180 1.075188 28.25067 
1 1 1  -55   19    9 o  275.999   17.429 32235.76  3885.74 29663.71  6085.22 34006.55  5049.19  254.955   29.967  279.868   22.407 -24.91261 37.41769 
1 1 1  -55   19   10 o  335.490   20.404 48695.84  5531.69 44771.32  8392.08 51711.06  7355.90  305.012   34.492  338.091   27.021 -33.07938 43.81586 
1 1 1  -55   19   11 o   79.338   8.0662  2610.29  512.390  3391.21  1817.16  2542.84  534.061   85.596   24.746   78.194   8.5510 7.402321 26.18191 
1 1 1  -55   19   12 o   53.035   9.8370  1199.79  408.008  1369.93  1894.72  1191.51  417.810   63.610   25.022   52.785   10.116 10.82500 26.98936 
1 1 1  -55   19   13 o   73.258   9.7042  2264.25  563.024 -82.8424  1900.60  2490.04  589.482   52.000   22.961   76.893   9.6545 -24.89298 24.90820 
1 1 1  -55   19   14 o   78.330   10.064  2601.03  625.260  1845.81  2246.04  2664.48  650.994   68.214   27.112   79.192   10.374 -10.97803 29.02880 
1 1 1  -55   19   15 o  104.556   9.9144  4623.94  831.636  2279.22  2459.55  4926.62  883.684   71.053   28.330  107.820   10.216 -36.76759 30.11564 
1 1 1  -55   19   16 o  116.937   9.7811  5807.00  920.182  4008.43  2700.85  6043.19  978.739   82.546   30.485  119.068   10.223 -36.52234 32.15366 
1 1 1  -55   19   17 o   27.219   11.897 -38.3834  498.490 -1480.0240  2270.81   34.605  510.953   45.737   21.840   28.506   12.252 17.23129 25.04170 
1 1 1  -55   19   18 o   87.359   11.198  3389.37  776.000  1427.05  3286.02  3505.27  798.588   60.580   28.076   88.764   11.339 -28.18354 30.27935 
1 1 1  -55   19   19 f   51.702   19.102  1423.67  1060.62  1939.91  2995.36  1349.67  1134.10   57.463   26.692   50.784   19.532 6.678268 33.07493 
1 1 1  -55   19   20 o   53.704   18.116  1691.50  936.775 -880.4313  3369.73  1906.91  975.216   45.800   22.810   56.645   18.465 -10.84468 29.34684 
1 1 1  -55   19   21 o   43.359   18.135  1174.44  1069.01  2670.66  3713.29  1039.23  1116.27   47.199   23.575   42.041   18.091 5.158497 29.71643 
1 1 1  -55   21    1 o   46.107   21.420 -1571.5010  1930.05   0.0000   0.0000 -1571.5010  1930.05  ?   ?    46.107   21.420 0.000000 21.41989 
1 1 1  -55   21    2 o  220.888   29.368 21494.27  5136.75   0.0000   0.0000 21494.27  5136.75  ?   ?   220.888   29.368 0.000000 29.36831 
1 1 1  -55   21    3 o  182.585   14.420 13857.64  2120.45   0.0000   0.0000 13857.64  2120.45  ?   ?   182.585   14.420 0.000000 14.42029 
1 1 1  -55   21    4 o   96.935   13.118  3942.11  1005.97   0.0000   0.0000  3942.11  1005.97  ?   ?    96.935   13.118 0.000000 13.11792 
1 1 1  -55   21    5 o  230.787   15.700 22255.02  2924.50 15358.20  5849.98 24552.94  3376.73  176.998   41.436  241.730   17.319 -64.73207 44.90996 
1 1 1  -55   21    6 o  166.130   14.227 11536.05  1900.56  5947.85  3917.32 13256.39  2173.50  112.480   37.025  177.818   15.200 -65.33791 40.02339 
1 1 1  -55   21    7 o  164.476   16.562 11463.31  2181.73   0.0000   0.0000 11463.31  2181.73  ?   ?   164.476   16.562 0.000000 16.56182 
1 1 1  -55   21    8 o  167.895   14.037 11839.88  1896.02 11619.99  3553.90 11927.37  2241.70  158.464   28.676  167.369   16.719 -8.904572 33.19432 
1 1 1  -55   21    9 o  167.552   13.985 11830.76  1885.27 13461.28  3581.15 11205.63  2217.41  171.217   26.625  161.557   17.167 9.660507 31.67903 
1 1 1  -55   21   10 f  104.296   29.576  5305.85  2619.94  5305.85  2619.94   0.0000   0.0000  104.296   29.576  ?   ?  0.000000 29.57590 
1 1 1  -55   21   11 o  100.024   15.951  4368.45  1252.00  1394.94  2740.71  5152.60  1407.43   70.161   29.165  108.555   16.486 -38.39351 33.50177 
1 1 1  -55   21   12 o   82.675   8.9408  2860.48  590.633  2338.03  2784.52  2885.09  604.385   75.774   30.165   82.985   9.1201 -7.211060 31.51379 
1 1 1  -55   21   13 o   28.207   10.882  228.621  352.814  817.845  2601.84  217.583  356.103   63.504   27.472   28.057   10.902 35.44747 29.55582 
1 1 1  -55   21   14 o   95.584   9.3751  3853.01  718.245  7711.54  2727.00  3565.39  744.533  120.695   28.315   91.609   10.182 29.08586 30.08994 
1 1 1  -55   21   15 f  116.171   9.6052  5719.28  897.903  8078.31  3038.40  5493.55  939.880  117.088   31.340  113.481   10.313 3.606926 32.99275 
1 1 1  -55   21   16 f  121.458   10.330  6344.60  1009.03  1012.05  3330.48  6883.55  1058.80   63.069   28.878  126.493   10.401 -63.42378 30.69372 
1 1 1  -55   21   17 o   98.597   17.441  4757.62  1345.17  3354.83  3446.76  5009.68  1461.03   69.709   30.844  100.001   18.681 -30.29230 36.05954 
1 1 1  -55   21   18 o   39.513   17.189  323.016  1030.01 -2731.4080  3164.24  685.020  1089.33   45.444   22.543   43.597   18.276 1.847271 29.02060 
1 1 1  -55   21   19 o   67.609   21.296  2923.57  1305.06  6553.96  3763.80  2427.45  1391.39   67.568   30.847   60.152   21.933 7.415623 37.84966 
1 1 1  -55   21   20 o   39.710   16.772  771.239  928.800 -2169.2739  3188.44  1043.90  970.907   40.121   20.274   42.812   17.533 -2.691532 26.80382 
1 1 1  -55   23    1 o  134.442   30.934  8373.01  3306.70   0.0000   0.0000  8373.01  3306.70  ?   ?   134.442   30.934 0.000000 30.93442 
1 1 1  -55   23    2 o   93.250   13.500  3672.37  992.455   0.0000   0.0000  3672.37  992.455  ?   ?    93.250   13.500 0.000000 13.50034 
1 1 1  -55   23    3 o   85.900   14.171  3141.25  953.926   0.0000   0.0000  3141.25  953.926  ?   ?    85.900   14.171 0.000000 14.17106 
1 1 1  -55   23    4 o  372.556   23.971 60586.21  7212.72   0.0000   0.0000 60586.21  7212.72  ?   ?   372.556   23.971 0.000000 23.97067 
1 1 1  -55   23    5 o  378.201   21.624 61872.06  6612.96 49353.01 12707.83 66521.23  7744.14  293.017   55.443  388.642   24.668 -95.62485 60.68314 
1 1 1  -55   23    6 o  150.172   14.776  9527.76  1778.36   0.0000   0.0000  9527.76  1778.36  ?   ?   150.172   14.776 0.000000 14.77587 
1 1 1  -55   23    7 o  119.721   14.063  6076.43  1341.02  4118.86  3241.56  6480.64  1472.98   94.400   33.598  123.330   15.019 -28.93060 36.80201 
1 1 1  -55   23    8 o  161.634   15.409 11139.95  1997.80  8343.26  4173.32 11971.37  2275.47  125.523   37.823  166.736   17.047 -41.21218 41.48695 
1 1 1  -55   23    9 o  171.252   15.933 12598.46  2190.03  8527.72  4165.63 14153.40  2574.55  125.184   37.803  180.387   17.810 -55.20369 41.78835 
1 1 1  -55   23   10 o   57.344   17.438  1447.18  884.093  795.483  2557.43  1535.63  942.181   64.549   27.568   58.962   18.017 5.586098 32.93360 
1 1 1  -55   23   11 o  128.182   15.878  7187.87  1617.20  2229.31  3523.19  8511.50  1820.29   78.022   32.795  139.286   16.410 -61.26466 36.67130 
1 1 1  -55   23   12 o  124.608   9.3338  6500.26  937.512  1686.04  3512.42  6869.55  972.805   73.482   31.853  128.081   9.4202 -54.59861 33.21724 
1 1 1  -55   23   13 o   85.146   9.2154  3062.22  626.949  4858.78  3017.93  2981.19  640.932   91.365   32.429   83.870   9.5838 7.494926 33.81522 
1 1 1  -55   23   14 o   45.934   12.187  941.223  462.031  4612.65  3694.04  882.875  465.688   84.823   34.403   44.526   12.414 40.29732 36.57441 
1 1 1  -55   23   15 o  114.387   9.9065  5607.23  911.020 12447.80  3992.78  5231.56  935.702  134.054   35.945  110.048   10.603 24.00627 37.47629 
1 1 1  -55   23   16 o   69.239   20.950  2577.02  1278.44 -5164.1948  3847.56  3537.77  1355.46   47.482   23.758   82.017   20.430 -34.53568 31.33431 
1 1 1  -55   23   17 o   53.519   20.348  1523.27  1222.12 -3051.8059  4537.38  1881.14  1269.02   51.186   25.640   57.777   20.965 -6.590717 33.11953 
1 1 1  -55   23   18 o   72.042   22.818  3462.02  1496.70  4401.00  4547.13  3347.93  1585.03   59.363   28.956   69.207   23.564 -9.843639 37.33251 
1 1 1  -55   23   19 o   45.622   19.245  1269.09  1220.23 -8018.6431  4652.35  1955.22  1264.50   39.399   20.248   52.449   20.497 -13.04990 28.81185 
1 1 1  -55   25    1 o  304.868   20.180 40024.93  4967.08   0.0000   0.0000 40024.93  4967.08  ?   ?   304.868   20.180 0.000000 20.17970 
1 1 1  -55   25    2 o  153.435   15.358  9969.63  1887.71   0.0000   0.0000  9969.63  1887.71  ?   ?   153.435   15.358 0.000000 15.35835 
1 1 1  -55   25    3 o   98.835   15.490  4195.37  1202.22   0.0000   0.0000  4195.37  1202.22  ?   ?    98.835   15.490 0.000000 15.48967 
1 1 1  -55   25    4 o  177.497   17.268 13500.84  2457.13   0.0000   0.0000 13500.84  2457.13  ?   ?   177.497   17.268 0.000000 17.26760 
1 1 1  -55   25    5 o  160.142   16.583 10994.14  2125.09   0.0000   0.0000 10994.14  2125.09  ?   ?   160.142   16.583 0.000000 16.58337 
1 1 1  -55   25    6 o  124.434   14.830  6618.48  1468.89  1670.44  4069.57  7359.67  1575.06   81.363   34.764  131.200   15.058 -49.83631 37.88473 
1 1 1  -55   25    7 o  148.830   16.112  9549.91  1915.95  7702.61  4426.42  9975.80  2125.37  117.867   39.382  151.301   17.631 -33.43321 43.14832 
1 1 1  -55   25    8 o   34.854   14.824   64.327  733.870  139.331  2832.07   58.928  759.823   63.351   27.998   35.347   15.060 28.00377 31.79139 
1 1 1  -55   25    9 o   56.589   25.959 -896.5162  2708.67 -896.5162  2708.67   0.0000   0.0000   56.589   25.959  ?   ?  0.000000 25.95917 
1 1 1  -55   25   10 o   72.380   17.874  2397.96  1044.19  4297.25  2781.31  2086.34  1126.60   90.303   31.199   67.219   19.500 23.08481 36.79137 
1 1 1  -55   25   11 o  171.556   17.348 13180.74  2383.28 10547.07  4845.56 14021.17  2737.25  124.477   41.188  174.772   19.628 -50.29499 45.62613 
1 1 1  -55   25   12 o   86.026   19.898  3545.81  1362.21  4880.52  3416.44  3293.50  1485.39   89.436   34.018   81.591   21.944 7.845871 40.48147 
1 1 1  -55   25   13 o   54.448   10.421  1296.61  443.933 -1335.2120  3711.71  1334.81  447.143   58.693   27.997   55.289   10.340 3.403984 29.84560 
1 1 1  -55   25   14 o   46.330   11.894  969.162  449.727  5772.77  3934.66  905.576  452.694   85.387   35.169   44.767   12.145 40.62014 37.20739 
1 1 1  -55   25   15 o   63.773   21.381  2209.18  1304.71 -4887.6938  3823.64  3144.37  1388.01   47.535   23.770   75.817   21.537 -28.28130 32.07572 
1 1 1  -55   25   16 o  123.551   20.934  8381.32  2025.05  9733.93  5120.19  8130.51  2204.82   80.029   36.320  116.824   24.045 -36.79436 43.55780 
1 1 1  -55   25   17 o   65.943   23.349  3046.26  1563.66  9457.41  5626.17  2509.59  1627.79   66.401   32.349   59.637   23.270 6.763809 39.84943 
1 1 1  -55   25   18 o   28.946   14.206 -1287.1630  1145.94 -4806.8188  4832.29 -1077.4351  1179.59   42.392   21.729   30.246   14.752 12.14569 26.26372 
1 1 1  -55   27    1 o  162.396   16.862 11344.09  2190.97   0.0000   0.0000 11344.09  2190.97  ?   ?   162.396   16.862 0.000000 16.86160 
1 1 1  -55   27    2 o  122.100   16.488  6446.67  1592.79   0.0000   0.0000  6446.67  1592.79  ?   ?   122.100   16.488 0.000000 16.48755 
1 1 1  -55   27    3 o  130.351   16.256  7335.74  1683.12   0.0000   0.0000  7335.74  1683.12  ?   ?   130.351   16.256 0.000000 16.25570 
1 1 1  -55   27    4 o  117.022   16.205  5941.43  1498.44   0.0000   0.0000  5941.43  1498.44  ?   ?   117.022   16.205 0.000000 16.20498 
1 1 1  -55   27    5 o  105.034   16.975  4849.20  1398.34   0.0000   0.0000  4849.20  1398.34  ?   ?   105.034   16.975 0.000000 16.97532 
1 1 1  -55   27    6 o   64.742   18.588  1888.15  1028.46 -3117.4519  4580.77  2153.87  1055.41   65.461   31.191   68.960   18.476 -3.499458 36.25272 
1 1 1  -55   27    7 o  130.705   16.331  7486.11  1695.31  6072.92  5179.92  7655.65  1794.12  102.238   40.993  131.691   17.189 -29.45272 44.45078 
1 1 1  -55   27    8 o   62.188   27.993 -46.5657  2969.89  1001.82  3561.68 -2438.8850  5380.25   71.237   31.445   70.409   33.620 0.8270645 46.03314 
1 1 1  -55   27    9 o   95.397   18.668  4192.38  1394.21  6789.75  4303.18  3887.75  1473.70  103.286   38.413   90.725   20.489 12.56113 43.53621 
1 1 1  -55   27   10 o   40.418   17.334  145.030  1018.66 -282.5405  4057.55  173.791  1052.36   66.420   30.923   41.239   17.651 25.18060 35.60621 
1 1 1  -55   27   11 o  142.486   19.079  9532.48  2151.95  4962.85  5163.48 10493.03  2367.34   85.983   37.912  148.436   20.164 -62.45326 42.94096 
1 1 1  -55   27   12 o   84.903   20.995  3640.17  1439.27 -3167.2529  3671.92  4875.90  1564.46   52.840   25.828   99.569   20.044 -46.72942 32.69313 
1 1 1  -55   27   13 o   36.333   16.808 -525.8300  1169.73  7167.55  3993.04 -1248.0110  1223.40   90.908   36.144   33.128   15.876 57.77936 39.47694 
1 1 1  -55   27   14 o   42.618   18.460  394.287  1177.73  2335.68  4317.57  238.222  1224.15   64.324   30.545   41.831   18.451 22.49378 35.68496 
1 1 1  -55   27   15 o   47.478   19.968  974.306  1307.28  451.399  4667.83  1018.81  1361.77   56.033   27.722   48.152   20.322 7.880913 34.37283 
1 1 1  -55   27   16 o   32.046   15.406 -876.8274  1172.94 -5712.2051  4805.89 -570.5592  1209.51   44.653   22.791   34.092   16.182 10.56082 27.95194 
1 1 1  -55   29    1 o  122.168   19.197  6676.10  1841.45   0.0000   0.0000  6676.10  1841.45  ?   ?   122.168   19.197 0.000000 19.19665 
1 1 1  -55   29    2 o   85.209   19.663  3319.74  1332.77   0.0000   0.0000  3319.74  1332.77  ?   ?    85.209   19.663 0.000000 19.66283 
1 1 1  -55   29    3 o   28.768   13.380 -616.2442  756.637   0.0000   0.0000 -616.2442  756.637  ?   ?    28.768   13.380 0.000000 13.38021 
1 1 1  -55   29    4 o   94.704   19.332  4097.80  1436.23   0.0000   0.0000  4097.80  1436.23  ?   ?    94.704   19.332 0.000000 19.33155 
1 1 1  -55   29    5 o  241.817   20.391 26536.30  3966.45   0.0000   0.0000 26536.30  3966.45  ?   ?   241.817   20.391 0.000000 20.39141 
1 1 1  -55   29    6 o   81.212   20.144  3099.02  1321.85   0.0000   0.0000  3099.02  1321.85  ?   ?    81.212   20.144 0.000000 20.14358 
1 1 1  -55   29    7 o  141.665   45.885 15022.58  6026.46 12554.77  8071.71 18130.91  9058.84  114.956   49.034  129.744   53.393 -14.78790 72.49191 
1 1 1  -55   29    8 o   49.073   18.923  875.054  1066.64  8043.98  5435.99  587.990  1087.78  102.509   41.676   45.969   18.660 56.53984 45.66270 
1 1 1  -55   29    9 o  211.668   20.620 21363.22  3498.87 15103.34  8509.44 22636.88  3838.34  110.434   48.683  215.326   22.276 -104.8926 53.53718 
1 1 1  -55   29   10 o  139.968   19.267  9375.48  2131.69  9667.97  6636.18  9341.83  2250.98   95.517   42.504  138.177   20.700 -42.66045 47.27639 
1 1 1  -55   29   11 f  162.644   20.330 13149.37  2626.11 16479.04  7694.85 12710.43  2793.85  103.831   46.006  156.679   22.616 -52.84824 51.26447 
1 1 1  -55   29   12 o   80.395   22.877  3629.00  1564.70  4942.03  6383.39  3545.06  1613.94   72.514   35.126   78.735   23.475 -6.220886 42.24806 
1 1 1  -55   29   13 o   43.815   19.444  363.995  1379.64  1613.56  4884.98  255.687  1438.19   60.857   29.755   43.591   19.563 17.26573 35.61022 
1 1 1  -55   29   14 o   60.498   22.744  2376.21  1516.55  6291.27  5522.12  2056.84  1577.19   64.238   31.457   56.993   22.698 7.245285 38.79067 
1 1 1  -55   29   15 o   42.690   19.691  468.049  1588.03  8276.90  6200.59 -80.1057  1642.82   58.903   29.570   40.209   19.019 18.69382 35.15882 
1 1 1  -55   31    1 o   69.314   22.604  2260.97  1461.39   0.0000   0.0000  2260.97  1461.39  ?   ?    69.314   22.604 0.000000 22.60442 
1 1 1  -55   31    2 o  139.763   20.752  9079.11  2283.49   0.0000   0.0000  9079.11  2283.49  ?   ?   139.763   20.752 0.000000 20.75207 
1 1 1  -55   31    3 o  109.651   20.679  5655.98  1773.59   0.0000   0.0000  5655.98  1773.59  ?   ?   109.651   20.679 0.000000 20.67892 
1 1 1  -55   31    4 o   33.249   15.257 -517.1953  936.693   0.0000   0.0000 -517.1953  936.693  ?   ?    33.249   15.257 0.000000 15.25740 
1 1 1  -55   31    5 o  163.021   20.260 12472.10  2624.00   0.0000   0.0000 12472.10  2624.00  ?   ?   163.021   20.260 0.000000 20.26048 
1 1 1  -55   31    6 o   56.959   28.115 -5221.6709  4704.82   0.0000   0.0000 -5221.6709  4704.82  ?   ?    56.959   28.115 0.000000 28.11497 
1 1 1  -55   31    7 o  165.171   20.584 13163.09  2700.74  7530.94 10159.77 13591.34  2801.53   87.821   42.933  167.202   21.106 -79.38107 47.84050 
1 1 1  -55   31    8 o  159.870   20.580 12544.13  2609.41 12345.65  9732.51 12559.50  2708.57   91.064   43.930  158.663   21.585 -67.59924 48.94631 
1 1 1  -55   31    9 o  105.698   22.208  5839.91  1845.39 19861.42  8327.56  5115.80  1892.44  107.414   47.714   96.450   24.204 10.96439 53.50182 
1 1 1  -55   31   10 o   82.524   22.209  3744.71  1520.91  2346.69  8002.10  3797.11  1549.15   68.768   34.387   82.840   22.464 -14.07272 41.07481 
1 1 1  -55   31   11 o   81.605   23.457  3962.59  1636.97  4897.51  7867.42  3920.28  1673.60   67.036   33.605   80.530   23.881 -13.49443 41.22669 
1 1 1  -55   31   12 o   33.502   15.933 -783.7946  1183.80 -1321.1670  6852.97 -767.2660  1201.87   56.014   28.458   33.848   16.085 22.16576 32.68902 
1 1 1  -55   31   13 o   46.590   20.404  1010.40  1472.93  9158.90  7662.24  697.732  1500.92   60.182   30.525   44.498   19.976 15.68422 36.48060 
1 1 1  -55   33    1 o   34.348   16.172 -955.6930  1162.81   0.0000   0.0000 -955.6930  1162.81  ?   ?    34.348   16.172 0.000000 16.17156 
1 1 1  -55   33    2 o   75.972   24.675  3042.31  1741.99   0.0000   0.0000  3042.31  1741.99  ?   ?    75.972   24.675 0.000000 24.67468 
1 1 1  -55   33    3 o   74.982   23.856  2953.40  1634.57   0.0000   0.0000  2953.40  1634.57  ?   ?    74.982   23.856 0.000000 23.85618 
1 1 1  -55   33    4 o   70.490   34.289 -17.1287  6253.60   0.0000   0.0000 -17.1287  6253.60  ?   ?    70.490   34.289 0.000000 34.28863 
1 1 1  -55   33    5 o   90.758   24.113  4462.60  1807.10   0.0000   0.0000  4462.60  1807.10  ?   ?    90.758   24.113 0.000000 24.11262 
1 1 1  -55   33    6 o   72.428   22.645  2835.67  1478.69   0.0000   0.0000  2835.67  1478.69  ?   ?    72.428   22.645 0.000000 22.64470 
1 1 1  -55   33    7 o   56.490   21.822  1565.01  1420.52   0.0000   0.0000  1565.01  1420.52  ?   ?    56.490   21.822 0.000000 21.82245 
1 1 1  -55   33    8 o   68.809   23.815  2807.37  1621.02  5654.94 10450.72  2737.17  1640.88   69.603   35.339   67.885   23.931 1.718445 42.67984 
1 1 1  -55   33    9 o   45.659   19.743  653.052  1342.46  959.221 11092.58  648.501  1352.40   62.892   32.283   45.700   19.788 17.19188 37.86521 
1 1 1  -55   33   10 o   55.317   22.432  1815.43  1570.26 11935.76  9833.83  1550.63  1590.67   65.258   33.245   52.996   22.140 12.26242 39.94203 
1 1 1  -55   35    1 o   80.760   27.770  4151.64  2202.32   0.0000   0.0000  4151.64  2202.32  ?   ?    80.760   27.770 0.000000 27.77007 
1 1 1  -55   35    2 o   57.169   28.656 -4399.1489  5713.16   0.0000   0.0000 -4399.1489  5713.16  ?   ?    57.169   28.656 0.000000 28.65582 
1 1 1  -55   35    3 o   68.471   25.860  2856.08  1965.54   0.0000   0.0000  2856.08  1965.54  ?   ?    68.471   25.860 0.000000 25.86011 
1 1 1  -55   35    4 o   53.803   22.301  1317.16  1596.04   0.0000   0.0000  1317.16  1596.04  ?   ?    53.803   22.301 0.000000 22.30139 
1 1 1  -55   35    5 o   93.206   26.970  5649.12  2157.59   0.0000   0.0000  5649.12  2157.59  ?   ?    93.206   26.970 0.000000 26.97013 
1 1 1  -55   35    6 o   46.745   20.117  771.604  1380.79   0.0000   0.0000  771.604  1380.79  ?   ?    46.745   20.117 0.000000 20.11742 
1 1 1  -55   35    7 o   71.395   25.684  3631.99  1899.24   0.0000   0.0000  3631.99  1899.24  ?   ?    71.395   25.684 0.000000 25.68440 
1 1 1  -54    0    1 o  316.457   26.243 41798.16  6636.48   0.0000   0.0000 41798.16  6636.48  316.457   26.243  316.457   26.243 -0.000000 0.000000 
1 1 1  -54    0    2 o  124.950   20.006  6831.06  1873.73   0.0000   0.0000  6831.06  1873.73  124.950   20.006  124.950   20.006 -0.000000 0.000000 
1 1 1  -54    0    4 o  197.914   15.470 16234.89  2451.10   0.0000   0.0000 16234.89  2451.10  197.914   15.470  197.914   15.470 -0.000000 0.000000 
1 1 1  -54    0    6 o  152.300   13.508  9657.95  1640.26   0.0000   0.0000  9657.95  1640.26  152.300   13.508  152.300   13.508 -0.000000 0.000000 
1 1 1  -54    0    7 o   66.397   13.063  1987.36  626.580  1987.36  626.580   0.0000   0.0000   66.397   13.063   66.397   13.063 0.000000 0.000000 
1 1 1  -54    0    8 o  422.989   30.544 74695.14 10364.59 74695.14 10364.59   0.0000   0.0000  422.989   30.544  422.989   30.544 0.000000 0.000000 
1 1 1  -54    0    9 o  775.099   56.130 259064.00 34900.19 259064.00 34900.19   0.0000   0.0000  775.099   56.130  775.099   56.130 0.000000 0.000000 
1 1 1  -54    0   10 o  304.656   23.053 38646.57  5627.65   0.0000   0.0000 38646.57  5627.65  304.656   23.053  304.656   23.053 -0.000000 0.000000 
1 1 1  -54    0   11 o  ?   ?  -2332.9021  607.954 -2332.9021  607.954   0.0000   0.0000  ?   ?   ?   ?  0.000000 0.000000 
1 1 1  -54    0   12 f  151.866   15.358  9690.23  1849.39  9690.23  1849.39   0.0000   0.0000  151.866   15.358  151.866   15.358 0.000000 0.000000 
1 1 1  -54    0   13 o  285.660   22.330 34113.07  5106.54 34113.07  5106.54   0.0000   0.0000  285.660   22.330  285.660   22.330 0.000000 0.000000 
1 1 1  -54    0   14 o  230.684   12.413 21888.79  2309.66 19891.25  3091.66 24411.63  3474.46  218.246   17.715  242.142   17.896 -0.000000 0.000000 
1 1 1  -54    0   15 o  459.606   22.472 88072.96  8340.54 82343.96 11621.49 94158.00 11977.17  437.512   33.152  469.336   31.763 -0.000000 0.000000 
1 1 1  -54    0   16 o   65.611   10.140  1876.52  501.785  2958.92  1221.38  1656.73  550.378   76.306   22.657   59.983   12.871 0.000000 0.000000 
1 1 1  -54    0   17 o   78.767   9.2690  2634.86  571.285  1238.01  1280.01  2982.32  638.396   45.346   24.647   83.823   9.7204 0.000000 0.000000 
1 1 1  -54    0   18 o  129.383   9.9731  6968.66  1033.40  5076.40  1762.54  7959.90  1275.67  102.509   24.400  137.882   11.583 0.000000 0.000000 
1 1 1  -54    0   19 o  199.023   12.328 16494.94  1974.65 15290.07  3121.85 17298.48  2549.44  186.839   21.293  202.306   15.739 0.000000 0.000000 
1 1 1  -54    0   20 o   94.838   9.9114  3809.33  744.145  4266.23  829.962  1936.38  1680.39  100.316   10.449   54.398   28.639 -0.000000 0.000000 
1 1 1  -54    0   21 o   93.524   9.6819  3709.32  717.185  3712.38  802.495  3697.21  1598.44   92.976   11.040   81.673   27.092 -0.000000 0.000000 
1 1 1  -54    0   22 o   16.887   10.751   39.085  324.270  687.625  1613.53   11.789  331.024   39.762   24.743   16.593   10.681 0.000000 0.000000 
1 1 1  -54    0   23 o   49.095   14.837  1251.63  515.886  1210.22  537.112  1744.70  1853.42   47.374   15.699   49.613   28.596 -0.000000 0.000000 
1 1 1  -54    0   24 o   65.875   13.371  2043.86  633.104  2043.86  633.104   0.0000   0.0000   65.875   13.371   65.875   13.371 -0.000000 0.000000 
1 1 1  -54    2    1 o  617.659   31.410 158515.30 15700.73 155581.80 22193.60 161454.41 22214.79  604.356   45.562  616.245   44.701 -11.88953 63.82824 
1 1 1  -54    2    2 o  374.551   13.968 57198.24  4248.04 54796.68  5093.05 62688.77  7700.85  366.211   17.128  389.669   24.463 -23.45773 29.86332 
1 1 1  -54    2    3 o  245.366   18.212 24759.22  3602.46 24759.22  3602.46   0.0000   0.0000  245.366   18.212  ?   ?  0.000000 18.21191 
1 1 1  -54    2    4 o  239.549   18.060 23609.29  3486.89 23609.29  3486.89   0.0000   0.0000  239.549   18.060  ?   ?  0.000000 18.05973 
1 1 1  -54    2    5 o  256.460   13.456 26898.80  2792.35 25740.33  4002.51 27997.30  3897.54  249.767   19.901  260.823   18.524 -11.05585 27.18835 
1 1 1  -54    2    6 o  523.971   37.335 116261.20 15780.05   0.0000   0.0000 116261.20 15780.05  ?   ?   523.971   37.335 0.000000 37.33465 
1 1 1  -54    2    7 o  145.892   9.2331  8697.81  1088.10  9269.83  1607.04  8213.57  1478.59  150.123   13.322  141.284   13.036 8.839493 18.63916 
1 1 1  -54    2    8 o   47.169   10.629  942.659  397.327  1641.69  680.906  581.743  489.263   62.184   13.842   39.012   13.093 23.17171 19.05295 
1 1 1  -54    2    9 o  182.961   11.069 13701.64  1636.71 11647.08  2354.80 15621.80  2276.49  167.527   17.573  194.872   14.491 -27.34464 22.77713 
1 1 1  -54    2   10 o  509.791   25.376 108382.10 10503.97 111142.60 14892.76 105649.50 14817.25  508.151   36.334  494.741   37.157 13.40991 51.96923 
1 1 1  -54    2   11 o  349.731   18.094 50570.66  5120.68 50464.84  7284.84 50674.00  7199.39  346.015   26.122  346.917   25.742 -0.9017334 36.67395 
1 1 1  -54    2   12 o  160.895   8.1881 10576.36  1066.17 12188.51  1975.51  9913.81  1266.45  171.713   14.299  155.502   10.085 16.21072 17.49746 
1 1 1  -54    2   13 o  131.948   7.7707  7121.75  828.851  6886.73  1683.17  7196.99  952.320  128.041   16.579  132.491   8.9041 -4.449783 18.81877 
1 1 1  -54    2   14 o   46.802   9.7354  929.625  357.907  391.720  1039.72  1001.93  381.205   45.139   18.271   48.589   9.9958 -3.450253 20.82683 
1 1 1  -54    2   15 o  104.508   8.0491  4495.64  677.763  4460.80  1434.48  4505.65  769.013  101.430   18.080  104.415   9.1631 -2.984932 20.26987 
1 1 1  -54    2   16 o  247.980   11.326 25511.03  2280.51 26836.21  4128.15 24928.99  2735.86  247.523   20.731  243.468   13.897 4.055313 24.95794 
1 1 1  -54    2   17 o   61.647   9.6243  1609.42  466.006 -175.5973  1194.53  1929.84  506.107   41.392   18.244   67.663   9.4715 -26.27116 20.55599 
1 1 1  -54    2   18 o  122.382   8.4844  6230.11  837.888  5951.55  1708.32  6318.35  961.481  114.342   19.072  122.794   9.7228 -8.451408 21.40743 
1 1 1  -54    2   19 o  187.367   10.308 14821.21  1562.15 14292.01  3016.70 15015.11  1826.05  172.902   21.985  187.271   12.073 -14.36948 25.08200 
1 1 1  -54    2   20 o   92.290   9.7906  3639.25  722.463  3143.51  1531.72  3781.08  819.326   77.881   22.779   93.496   11.003 -15.61488 25.29702 
1 1 1  -54    2   21 o   34.307   11.687  491.500  389.920  553.447  1548.70  487.308  402.899   48.515   21.091   34.351   11.874 14.16407 24.20380 
1 1 1  -54    2   22 o   12.469   6.1615 -494.1545  228.153 -3350.2251  1595.79 -434.5554  230.522   30.425   15.235   13.087   6.4126 17.33716 16.52939 
1 1 1  -54    2   23 f   36.685   11.912  632.521  406.011  1090.50  1531.64  597.907  421.075   47.283   20.755   35.903   12.146 11.37925 24.04726 
1 1 1  -54    2   24 o   45.557   12.802  1084.55  493.208   0.0000   0.0000  1084.55  493.208  ?   ?    45.557   12.802 0.000000 12.80218 
1 1 1  -54    4    1 o  408.229   18.281 68151.07  6059.56 68811.01  7315.40 66708.41 10815.96  408.939   22.114  399.128   33.689 9.810669 40.29858 
1 1 1  -54    4    2 o  186.464   12.091 14220.86  1820.79 15877.68  2130.81  9737.17  3505.29  196.912   13.407  150.889   29.668 46.02325 32.55680 
1 1 1  -54    4    3 o  307.632   19.027 38890.82  4729.44 46454.23  6262.09 28848.46  7215.70  335.404   23.135  260.750   34.962 74.65402 41.92333 
1 1 1  -54    4    4 o  402.665   28.968 67510.13  9407.76 67510.13  9407.76   0.0000   0.0000  402.665   28.968  ?   ?  0.000000 28.96782 
1 1 1  -54    4    5 o  475.298   34.118 94956.94 13079.50 94956.94 13079.50   0.0000   0.0000  475.298   34.118  ?   ?  0.000000 34.11822 
1 1 1  -54    4    6 o  447.054   22.693 82525.09  8210.27 76751.09 11702.42 88122.27 11521.83  426.610   34.068  458.670   31.121 -32.06000 46.14283 
1 1 1  -54    4    7 o  334.927   24.080 46584.96  6504.74   0.0000   0.0000 46584.96  6504.74  ?   ?   334.927   24.080 0.000000 24.07960 
1 1 1  -54    4    8 o  582.034   28.052 141242.30 13257.22 153011.00 18841.31 129702.60 18657.13  597.415   39.056  547.343   42.309 50.07190 57.58001 
1 1 1  -54    4    9 o  727.401   55.637 241198.30 32611.58 241198.30 32611.58   0.0000   0.0000  727.401   55.637  ?   ?  0.000000 55.63723 
1 1 1  -54    4   10 o  395.506   19.452 64549.18  6246.76 67879.20  8970.97 61414.70  8703.60  401.409   27.694  381.422   28.305 19.98694 39.59936 
1 1 1  -54    4   11 o  145.754   15.585  8824.29  1815.83  8824.29  1815.83   0.0000   0.0000  145.754   15.585  ?   ?  0.000000 15.58477 
1 1 1  -54    4   12 o  134.017   9.4440  7365.19  1021.10  6750.13  1615.15  7774.68  1317.89  127.047   16.013  137.312   11.939 -10.26527 19.97374 
1 1 1  -54    4   13 o  318.177   16.814 42036.71  4328.33 40783.65  6285.33 43166.91  5969.25  309.113   25.263  319.280   23.184 -10.16745 34.28850 
1 1 1  -54    4   14 o  156.434   10.381 10078.41  1311.13 10280.52  2102.95  9949.89  1676.97  156.230   16.844  154.677   13.487 1.552841 21.57864 
1 1 1  -54    4   15 o  131.770   9.9563  7179.81  1057.40  6267.82  1819.42  7644.96  1299.36  120.061   19.319  135.470   11.935 -15.40963 22.70791 
1 1 1  -54    4   16 o  136.113   9.9198  7691.12  1088.78  8125.48  1790.85  7436.44  1371.32  137.414   16.373  132.834   12.876 4.579880 20.82938 
1 1 1  -54    4   17 o   21.497   9.7109 -183.6532  361.090 -481.2465  1107.13 -148.2287  381.977   37.386   16.936   22.704   10.143 14.68194 19.74068 
1 1 1  -54    4   18 f   81.987   9.9311  2842.91  647.633  2118.02  1486.95  3012.62  719.459   67.710   22.824   84.141   10.778 -16.43110 25.24133 
1 1 1  -54    4   19 o   33.653   11.518  450.703  378.690 -349.7256  1355.80  518.433  394.386   41.672   18.821   35.487   11.751 6.184227 22.18864 
1 1 1  -54    4   20 o   39.234   12.031  673.528  419.705  279.085  1227.70  725.727  446.613   43.942   18.940   40.607   12.404 3.335464 22.64046 
1 1 1  -54    4   21 o   96.486   10.598  4066.16  816.631  305.925  1723.37  5154.96  927.356   48.184   21.534  108.713   10.642 -60.52968 24.02030 
1 1 1  -54    4   22 o   37.679   9.5205  639.675  291.384  707.013  380.106  543.709  453.770   39.222   11.312   35.594   12.581 3.628040 16.91840 
1 1 1  -54    4   23 o   28.680   9.6839  357.059  267.675  490.083  348.969  166.928  417.206   32.892   11.057   27.186   11.346 5.706493 15.84305 
1 1 1  -54    4   24 o   44.436   9.4522  934.138  330.559  849.656  436.281  1048.00  506.499   40.572   12.230   44.357   13.134 -3.785088 17.94647 
1 1 1  -54    6    1 o  426.432   22.394 74867.79  7726.67 77009.80 10584.57 72424.13 11305.32  429.978   30.515  415.726   33.784 14.25177 45.52520 
1 1 1  -54    6    2 o  149.886   10.363  9187.03  1253.51  9335.81  1445.94  8736.99  2514.76  150.928   11.895  144.254   22.180 6.674271 25.16870 
1 1 1  -54    6    3 o  328.815   16.794 44310.17  4468.76 38582.83  5925.86 51861.60  6804.39  305.207   24.108  354.203   23.797 -48.99539 33.87518 
1 1 1  -54    6    4 o  128.817   13.197  6836.91  1360.83  6836.91  1360.83   0.0000   0.0000  128.817   13.197  ?   ?  0.000000 13.19676 
1 1 1  -54    6    5 o  280.159   21.322 32442.29  4814.01 32442.29  4814.01   0.0000   0.0000  280.159   21.322  ?   ?  0.000000 21.32244 
1 1 1  -54    6    6 o  516.882   37.441 113484.10 15607.03 113484.10 15607.03   0.0000   0.0000  516.882   37.441  ?   ?  0.000000 37.44065 
1 1 1  -54    6    7 o  258.248   20.178 27593.00  4197.58 27593.00  4197.58   0.0000   0.0000  258.248   20.178  ?   ?  0.000000 20.17845 
1 1 1  -54    6    8 o  110.934   13.775  5105.81  1214.06  5105.81  1214.06   0.0000   0.0000  110.934   13.775  ?   ?  0.000000 13.77478 
1 1 1  -54    6    9 o  287.563   16.062 34021.46  3735.25 26739.74  5414.46 40633.88  5159.64  251.706   26.910  313.130   20.405 -61.42418 33.77107 
1 1 1  -54    6   10 o  293.579   14.877 35430.32  3534.70 38946.69  5140.90 32277.47  4867.92  306.069   20.810  278.211   21.721 27.85837 30.08099 
1 1 1  -54    6   11 o   87.746   9.7223  3179.08  681.036  851.173  1161.06  4400.12  840.885   52.711   19.883  103.341   10.152 -50.62959 22.32524 
1 1 1  -54    6   12 o  352.339   14.324 51033.83  4098.06 56353.80  7258.12 48544.18  4965.22  365.108   24.627  341.991   17.943 23.11703 30.47049 
1 1 1  -54    6   13 o  209.185   10.215 17907.26  1735.04 13957.55  3213.34 19532.67  2061.36  180.772   22.370  217.901   11.694 -37.12886 25.24161 
1 1 1  -54    6   14 o  193.589   9.7450 15401.47  1526.89 13600.44  2871.65 16111.35  1802.86  178.330   20.188  197.607   11.283 -19.27789 23.12685 
1 1 1  -54    6   15 o  142.772   8.1726  8380.69  943.486  9020.84  1872.41  8162.83  1092.29  145.611   16.106  140.555   9.6289 5.055893 18.76526 
1 1 1  -54    6   16 o   58.445   9.3882  1443.38  430.440  1505.93  1209.97  1434.31  460.569   60.111   20.587   58.081   10.135 2.029705 22.94681 
1 1 1  -54    6   17 o  205.540   10.377 17633.11  1726.19 16159.99  3215.55 18229.51  2046.00  188.691   21.364  207.939   12.171 -19.24742 24.58787 
1 1 1  -54    6   18 o  124.901   9.0673  6520.54  913.294  6126.11  1932.05  6634.04  1036.40  113.848   21.693  125.491   10.261 -11.64316 23.99696 
1 1 1  -54    6   19 o  105.283   9.0796  4669.75  768.588  4278.57  1809.76  4755.83  848.952   91.518   24.043  105.855   9.9955 -14.33646 26.03756 
1 1 1  -54    6   20 o  130.456   9.7142  7252.93  1021.61  6072.70  2045.43  7645.22  1179.23  107.166   24.092  133.070   11.013 -25.90413 26.48981 
1 1 1  -54    6   21 o   39.825   12.614  710.946  457.401  1107.84  1660.68  678.366  475.805   53.096   22.427   39.171   12.904 13.92558 25.87441 
1 1 1  -54    6   22 f   47.975   13.346  1108.23  538.843  1826.16  1875.26  1043.62  562.568   56.225   23.795   46.421   13.864 9.804611 27.53915 
1 1 1  -54    6   23 o   36.761   13.003  638.196  484.803  223.979  1990.44  664.319  499.857   43.516   20.686   37.348   13.204 6.167976 24.54057 
1 1 1  -54    6   24 o   45.946   14.183  1185.99  582.162   0.0000   0.0000  1185.99  582.162  ?   ?    45.946   14.183 0.000000 14.18292 
1 1 1  -54    8    3 o  198.669   16.599 16248.66  2653.14 16248.66  2653.14   0.0000   0.0000  198.669   16.599  ?   ?  0.000000 16.59929 
1 1 1  -54    8    4 o  381.283   27.875 60576.37  8569.95 60576.37  8569.95   0.0000   0.0000  381.283   27.875  ?   ?  0.000000 27.87490 
1 1 1  -54    8    5 o  431.185   31.336 78018.49 10895.91 78018.49 10895.91   0.0000   0.0000  431.185   31.336  ?   ?  0.000000 31.33581 
1 1 1  -54    8    6 o  607.104   44.462 159657.09 21765.05 159657.09 21765.05   0.0000   0.0000  607.104   44.462  ?   ?  0.000000 44.46203 
1 1 1  -54    8    7 o  681.416   33.197 195682.50 18367.42 204506.91 26096.98 187020.50 25855.62  682.506   47.385  650.548   49.315 31.95837 68.39114 
1 1 1  -54    8    8 o  309.442   15.585 39331.54  3903.16   0.0000   0.0000 39331.54  3903.16  ?   ?   309.442   15.585 0.000000 15.58454 
1 1 1  -54    8    9 o  253.133   10.507 26136.50  2159.62 31682.56  3924.05 23726.77  2586.58  277.009   17.537  240.484   13.298 36.52548 22.00859 
1 1 1  -54    8   10 o  225.169   10.070 20684.47  1841.07 20305.12  3402.75 20841.49  2189.18  220.906   19.161  225.479   12.001 -4.573166 22.60841 
1 1 1  -54    8   11 o  355.918   14.820 52056.93  4282.75 50230.41  7595.45 52908.35  5185.74  343.665   27.448  357.847   17.847 -14.18137 32.74064 
1 1 1  -54    8   12 o  279.527   12.023 32029.13  2728.87 32940.37  4918.70 31623.94  3279.95  279.642   21.836  276.741   14.649 2.900909 26.29421 
1 1 1  -54    8   13 o  222.350   10.158 20249.54  1833.85 22145.02  3398.71 19471.04  2178.12  229.571   18.387  217.228   12.400 12.34294 22.17793 
1 1 1  -54    8   14 o  216.323   10.317 19235.35  1812.16 18193.24  3372.36 19658.43  2148.75  205.841   20.448  217.833   12.198 -11.99216 23.80960 
1 1 1  -54    8   15 o  195.092   9.9685 15733.90  1573.81 13354.97  2982.50 16651.94  1852.76  174.055   21.565  200.153   11.448 -26.09805 24.41558 
1 1 1  -54    8   16 o  182.050   9.7883 13755.31  1441.57 12118.26  2752.73 14373.92  1692.17  164.492   21.096  185.448   11.292 -20.95552 23.92804 
1 1 1  -54    8   17 o  156.234   9.4652 10170.47  1195.06  6915.74  2379.58 11268.26  1381.98  119.575   25.298  164.035   10.430 -44.46014 27.36403 
1 1 1  -54    8   18 o   38.941   12.269  642.859  433.136 -19.5239  1338.34  720.354  457.772   44.151   19.390   40.939   12.567 3.212109 23.10613 
1 1 1  -54    8   19 o   28.716   11.790  149.532  440.385 -2591.9341  1434.32  434.867  462.736   31.810   15.667   34.476   12.637 -2.665617 20.12842 
1 1 1  -54    8   20 o   36.322   13.627  484.233  543.834  1054.83  1576.53  407.164  579.398   53.590   22.185   35.544   13.879 18.04639 26.16870 
1 1 1  -54    8   21 o   63.577   12.178  1844.90  605.750  1526.00  1867.99  1882.37  640.354   56.632   23.846   63.886   12.791 -7.254543 27.05953 
1 1 1  -54    8   22 o   26.214   11.585 -34.5218  484.898  1130.29  1547.99 -161.2489  510.595   49.380   21.276   25.364   11.494 24.01569 24.18240 
1 1 1  -54    8   23 o   29.999   12.464  265.661  500.206 -114.0839  2099.50  288.513  515.037   41.893   20.257   30.578   12.671 11.31491 23.89349 
1 1 1  -54    8   24 o   29.768   13.115  213.806  616.658   0.0000   0.0000  213.806  616.658  ?   ?    29.768   13.115 0.000000 13.11493 
1 1 1  -54   10    3 f  137.293   25.364  8026.28  2723.37   0.0000   0.0000  8026.28  2723.37  ?   ?   137.293   25.364 0.000000 25.36413 
1 1 1  -54   10    4 o  351.707   26.570 51544.41  7531.63 51544.41  7531.63   0.0000   0.0000  351.707   26.570  ?   ?  0.000000 26.56970 
1 1 1  -54   10    5 o  353.720   26.567 52204.04  7574.47 52204.04  7574.47   0.0000   0.0000  353.720   26.567  ?   ?  0.000000 26.56671 
1 1 1  -54   10    6 o  505.745   27.524 106824.70 11260.05 85422.84 16075.34 127439.80 15777.08  441.484   45.496  547.443   35.689 -105.9589 57.82371 
1 1 1  -54   10    7 o  283.334   16.219 33016.47  3715.80 24238.10  5389.50 40969.76  5129.97  239.275   28.288  314.664   20.185 -75.38887 34.75095 
1 1 1  -54   10    8 o  385.561   19.144 61266.89  5993.15   0.0000   0.0000 61266.89  5993.15  ?   ?   385.561   19.144 0.000000 19.14358 
1 1 1  -54   10    9 o  437.789   17.722 78939.23  6299.71 79210.60 11112.85 78810.72  7647.17  430.616   32.012  435.920   21.605 -5.303528 38.62058 
1 1 1  -54   10   10 o  166.237   8.2175 11258.92  1109.19 12231.87  2165.55 10912.89  1291.46  171.783   15.699  163.253   9.7879 8.529404 18.50050 
1 1 1  -54   10   11 o  150.904   8.2794  9311.76  1010.59  7655.72  2058.00  9837.99  1160.10  134.481   19.409  154.985   9.2610 -20.50386 21.50522 
1 1 1  -54   10   12 o  364.951   15.207 55031.11  4506.17 54454.88  8014.21 55297.51  5449.13  354.790   28.048  363.884   18.504 -9.093445 33.60204 
1 1 1  -54   10   13 o  146.465   8.2461  8796.34  976.673 10633.15  1990.29  8213.74  1120.91  159.181   15.599  141.215   9.8373 17.96599 18.44209 
1 1 1  -54   10   14 o   88.784   8.5229  3260.74  606.861  3160.80  1523.71  3279.58  661.599   83.957   22.063   88.887   9.3047 -4.929512 23.94484 
1 1 1  -54   10   15 o  153.859   8.9409  9779.15  1112.15 11630.69  2214.05  9154.31  1286.19  164.433   16.820  148.273   10.756 16.15981 19.96507 
1 1 1  -54   10   16 o  132.697   8.9016  7306.06  953.552  6777.46  1999.68  7461.63  1084.83  122.135   20.917  133.712   10.066 -11.57724 23.21256 
1 1 1  -54   10   17 o  138.800   9.3273  8043.15  1045.08  9502.88  2139.60  7585.76  1197.68  145.393   18.546  134.009   11.107 11.38405 21.61792 
1 1 1  -54   10   18 o   99.272   10.168  4180.99  808.005  3410.73  1816.14  4371.08  902.215   81.759   25.020  101.081   11.180 -19.32247 27.40388 
1 1 1  -54   10   19 o   21.591   9.7938 -188.1000  371.717 -1145.1340  1425.72 -118.2997  385.034   37.542   17.746   22.961   10.226 14.58105 20.48146 
1 1 1  -54   10   20 o   43.555   14.434  848.161  594.974  1271.27  1714.49  790.231  634.398   55.666   23.097   42.680   14.891 12.98520 27.48149 
1 1 1  -54   10   21 o  136.627   10.572  8222.87  1163.74  6169.25  2716.73  8684.38  1287.88   89.239   30.834  139.472   11.474 -50.23231 32.89992 
1 1 1  -54   10   22 o   54.209   16.176  1557.28  766.089 -2248.9060  2181.31  2092.81  818.211   38.168   18.896   63.312   15.930 -25.14325 24.71432 
1 1 1  -54   10   23 o   21.246   10.123 -446.8089  482.593 -941.8555  1829.28 -409.7771  500.317   36.623   17.969   22.012   10.436 14.61108 20.77980 
1 1 1  -54   12    1 o   53.672   21.353  621.110  1394.37   0.0000   0.0000  621.110  1394.37  ?   ?    53.672   21.353 0.000000 21.35260 
1 1 1  -54   12    2 o  399.827   32.564 67353.85 10479.96   0.0000   0.0000 67353.85 10479.96  ?   ?   399.827   32.564 0.000000 32.56409 
1 1 1  -54   12    3 o  121.791   25.441  6362.47  2434.68   0.0000   0.0000  6362.47  2434.68  ?   ?   121.791   25.441 0.000000 25.44051 
1 1 1  -54   12    4 o  651.736   31.635 178109.70 16740.86 146857.70 23308.83 211406.41 24059.29  576.324   50.314  700.072   42.527 -123.7481 65.87922 
1 1 1  -54   12    5 o  604.666   31.567 153983.41 15444.88 144262.00 22122.28 163227.91 21572.81  571.872   48.089  612.734   43.646 -40.86261 64.94225 
1 1 1  -54   12    6 o  271.409   14.504 30227.33  3184.77 31246.49  4721.30 29376.38  4314.10  274.283   21.368  266.248   20.104 8.034973 29.33865 
1 1 1  -54   12    7 o  288.233   16.331 34204.54  3806.36 28484.15  5564.27 39235.85  5218.38  259.822   26.758  307.405   21.033 -47.58353 34.03489 
1 1 1  -54   12    8 o  262.767   19.958 28694.55  4226.38   0.0000   0.0000 28694.55  4226.38  ?   ?   262.767   19.958 0.000000 19.95803 
1 1 1  -54   12    9 o  412.648   15.978 70033.38  5353.50 82607.76  9548.51 64268.57  6465.24  442.362   26.709  393.250   20.317 49.11212 33.55849 
1 1 1  -54   12   10 o  361.745   13.625 53713.72  4002.06 71092.31  7218.97 46002.71  4808.65  412.234   21.643  333.025   17.848 79.20963 28.05293 
1 1 1  -54   12   11 o   44.442   9.2781  836.710  323.990 -419.1766  1054.37  967.660  340.463   37.694   16.845   47.898   9.0865 -10.20414 19.13954 
1 1 1  -54   12   12 f  329.391   14.011 44851.92  3747.38 44527.63  6787.62 44994.10  4494.42  320.143   26.346  328.168   16.925 -8.024750 31.31343 
1 1 1  -54   12   13 o   57.581   9.3496  1394.35  422.131  1618.64  1244.88  1365.21  448.716   62.676   20.883   56.814   10.097 5.862320 23.19630 
1 1 1  -54   12   14 o  170.180   9.2524 11953.04  1273.69 11849.26  2573.61 11986.71  1465.79  164.888   19.607  169.964   10.676 -5.075500 22.32502 
1 1 1  -54   12   15 o  276.922   12.403 32097.38  2788.92 34926.31  5163.45 30932.12  3313.90  278.125   23.073  269.453   15.209 8.671692 27.63449 
1 1 1  -54   12   16 o  153.804   9.2879  9842.51  1154.46 10768.13  2449.60  9578.22  1308.95  154.488   19.998  151.105   10.738 3.382629 22.69839 
1 1 1  -54   12   17 o   46.558   13.759  950.180  556.323  1743.87  1541.96  831.406  596.499   63.183   23.081   44.284   14.442 18.89900 27.22707 
1 1 1  -54   12   18 o   63.383   11.929  1766.06  591.383 -482.3736  1466.66  2202.59  646.247   42.284   19.285   71.096   11.594 -28.81261 22.50226 
1 1 1  -54   12   19 o   88.345   11.017  3392.43  773.094  2054.66  1996.29  3628.46  838.526   64.663   25.605   91.089   11.601 -26.42625 28.10993 
1 1 1  -54   12   20 o  109.325   10.786  5233.61  944.971  4464.11  2377.20  5378.02  1029.83   81.662   28.803  110.149   11.693 -28.48656 31.08608 
1 1 1  -54   12   21 o   74.013   15.353  2701.21  892.399  4928.20  2319.50  2314.29  966.819   80.405   28.441   66.377   17.638 14.02749 33.46647 
1 1 1  -54   12   22 o   41.832   15.308  876.759  678.630 -371.3049  2357.56  989.515  708.623   43.559   21.157   43.734   15.693 -0.1752586 26.34215 
1 1 1  -54   12   23 o   54.197   16.865  1812.00  821.260  2344.84  2751.39  1759.88  860.487   47.320   22.955   52.622   17.354 -5.301941 28.77644 
1 1 1  -54   14    1 o  299.926   27.122 37676.11  6533.44   0.0000   0.0000 37676.11  6533.44  ?   ?   299.926   27.122 0.000000 27.12152 
1 1 1  -54   14    2 o  345.359   30.037 50226.31  8339.12   0.0000   0.0000 50226.31  8339.12  ?   ?   345.359   30.037 0.000000 30.03708 
1 1 1  -54   14    3 o  251.830   26.407 26638.72  5319.26   0.0000   0.0000 26638.72  5319.26  ?   ?   251.830   26.407 0.000000 26.40682 
1 1 1  -54   14    4 o  274.209   14.011 30825.13  3109.12 19897.93  5632.50 35613.75  3728.65  214.808   33.377  294.449   15.652 -79.64098 36.86442 
1 1 1  -54   14    5 o  291.626   17.271 35049.08  4071.46 29342.24  6159.90 39476.38  5425.57  262.970   29.350  308.232   21.820 -45.26218 36.57172 
1 1 1  -54   14    6 o  206.125   13.864 17466.19  2306.92 11698.62  3568.78 21606.07  3023.55  165.097   27.596  228.830   16.381 -63.73260 32.09192 
1 1 1  -54   14    7 o   60.237   10.393  1522.17  489.961  2142.47  905.083  1265.03  582.731   70.839   16.101   54.522   13.285 16.31693 20.87390 
1 1 1  -54   14    8 o  196.481   16.447 15998.95  2599.77   0.0000   0.0000 15998.95  2599.77  ?   ?   196.481   16.447 0.000000 16.44706 
1 1 1  -54   14    9 o  246.732   14.311 25098.68  2854.65 24844.45  4282.17 25302.04  3829.78  242.998   21.940  246.206   19.312 -3.207489 29.22880 
1 1 1  -54   14   10 o  374.100   15.730 57827.59  4778.13 55889.43  8648.68 58679.03  5732.38  358.628   29.976  374.964   18.889 -16.33640 35.43053 
1 1 1  -54   14   11 o  282.691   11.368 32824.12  2609.45 41341.13  4913.69 29478.65  3079.59  313.259   19.414  266.650   14.275 46.60834 24.09741 
1 1 1  -54   14   12 o   92.521   7.8047  3524.49  580.843  2318.28  1567.01  3716.61  625.393   73.414   23.358   94.961   8.1910 -21.54688 24.75255 
1 1 1  -54   14   13 o  115.198   8.3965  5472.76  779.979  4842.36  1843.41  5610.23  860.833  103.591   22.555  116.469   9.1770 -12.87819 24.35079 
1 1 1  -54   14   14 o   95.441   8.5533  3777.48  655.805  4902.73  1718.30  3585.62  709.513  104.128   21.047   92.721   9.5614 11.40764 23.11704 
1 1 1  -54   14   15 o   22.975   10.148 -102.9650  371.466  1486.44  1410.28 -221.4562  385.063   60.664   22.087   21.858   9.9352 38.80651 24.21882 
1 1 1  -54   14   16 o   33.360   12.977  317.569  505.032  1117.74  1600.60  229.099  532.220   57.546   22.883   32.459   13.096 25.08748 26.36483 
1 1 1  -54   14   17 o   94.732   9.8761  3800.70  748.490  1074.93  2102.72  4196.19  800.952   60.211   25.323   99.512   10.050 -39.30138 27.24479 
1 1 1  -54   14   18 o   33.354   12.915  346.872  498.393 -739.0505  1816.50  435.273  518.282   45.006   20.864   35.302   13.291 9.703564 24.73787 
1 1 1  -54   14   19 o   33.280   13.635  257.057  587.536  2402.34  2029.77   60.873  613.813   66.436   25.968   31.175   13.415 35.26131 29.22812 
1 1 1  -54   14   20 o   56.835   15.202  1573.94  715.223  6587.56  2382.44  1077.33  749.808  100.099   28.140   47.507   16.207 52.59162 32.47337 
1 1 1  -54   14   21 o   86.800   16.874  3911.41  1146.39  6804.50  2850.25  3353.08  1252.14   84.200   31.273   76.474   19.954 7.725960 37.09693 
1 1 1  -54   14   22 o   34.651   14.527  431.721  688.336 -417.3983  2791.39  486.697  710.269   43.329   21.437   35.569   14.821 7.760464 26.06183 
1 1 1  -54   16    1 o   50.081   21.582 -124.6503  1593.47   0.0000   0.0000 -124.6503  1593.47  ?   ?    50.081   21.582 0.000000 21.58206 
1 1 1  -54   16    2 o  106.756   28.715  4935.79  2543.43   0.0000   0.0000  4935.79  2543.43  ?   ?   106.756   28.715 0.000000 28.71547 
1 1 1  -54   16    3 o  166.814   27.386 11909.78  3580.55   0.0000   0.0000 11909.78  3580.55  ?   ?   166.814   27.386 0.000000 27.38558 
1 1 1  -54   16    4 o  471.652   23.514 92417.33  9004.98 56214.04 16014.23 109157.80 10889.70  344.493   59.397  510.487   26.362 -165.9940 64.98401 
1 1 1  -54   16    5 o  244.124   14.669 24515.74  2894.14 15754.92  5169.04 28516.26  3492.98  189.289   34.918  262.931   16.444 -73.64194 38.59618 
1 1 1  -54   16    6 o  178.615   13.294 13135.45  1914.24  8407.29  3113.74 16008.16  2427.07  138.812   28.578  196.863   15.304 -58.05064 32.41799 
1 1 1  -54   16    7 f  204.055   14.076 17167.59  2317.86 12390.00  3665.43 20350.98  2992.02  169.255   27.624  221.580   16.754 -52.32515 32.30796 
1 1 1  -54   16    8 o  325.980   24.810 45051.95  6517.61   0.0000   0.0000 45051.95  6517.61  ?   ?   325.980   24.810 0.000000 24.81031 
1 1 1  -54   16    9 o  292.164   16.960 35520.04  4006.07 32821.55  5991.34 37702.02  5387.52  275.656   27.119  298.378   22.401 -22.72180 35.17456 
1 1 1  -54   16   10 o  291.540   12.899 35046.51  3053.43 32232.89  5778.60 36136.41  3596.53  271.898   26.512  294.851   15.073 -22.95349 30.49701 
1 1 1  -54   16   11 o  301.701   18.019 38493.90  4393.99 32919.40  6671.75 42763.98  5839.22  268.547   31.177  314.132   23.054 -45.58508 38.77522 
1 1 1  -54   16   12 o  158.710   9.0872 10383.62  1166.18  8136.92  2679.60 10908.59  1295.29  133.523   25.648  162.469   9.8655 -28.94601 27.47998 
1 1 1  -54   16   13 o   30.994   11.709  295.590  402.996  -3.7019  1339.07  325.397  422.587   45.503   19.696   32.035   12.013 13.46713 23.07084 
1 1 1  -54   16   14 o  130.597   8.7463  7069.30  922.109  7774.63  2261.22  6928.61  1009.90  130.339   22.160  128.978   9.7145 1.360657 24.19542 
1 1 1  -54   16   15 o   68.508   9.9943  1992.74  539.582   98.827  1753.57  2190.82  567.096   51.137   22.333   71.895   9.9840 -20.75775 24.46285 
1 1 1  -54   16   16 o  108.998   9.5267  4996.43  834.669  4772.72  2284.11  5030.91  896.682   95.308   27.799  109.085   10.244 -13.77673 29.62639 
1 1 1  -54   16   17 o   87.052   10.491  3247.61  726.630  1412.45  2243.98  3462.58  768.010   62.556   26.227   89.808   10.745 -27.25222 28.34290 
1 1 1  -54   16   18 o   70.802   12.722  2245.26  704.467  1682.51  2344.31  2301.12  738.604   62.796   26.592   71.445   13.219 -8.649059 29.69614 
1 1 1  -54   16   19 o   81.738   11.854  2989.81  763.791  4556.46  2656.84  2848.67  797.454   80.044   30.102   79.136   12.851 0.9073029 32.73021 
1 1 1  -54   16   20 o   60.674   16.596  1892.53  841.196 -1953.5880  2748.44  2290.05  883.599   44.615   21.918   67.127   16.361 -22.51160 27.35056 
1 1 1  -54   16   21 o   32.230   14.646 -56.9916  836.260  2048.05  2910.35 -246.4331  873.079   53.035   25.153   31.296   14.493 21.73842 29.02948 
1 1 1  -54   16   22 o   29.894   13.961 -187.9439  837.119 -396.7908  3239.24 -172.9975  866.556   42.095   21.165   30.403   14.200 11.69235 25.48760 
1 1 1  -54   18    1 o  334.960   30.572 47815.43  8223.26   0.0000   0.0000 47815.43  8223.26  ?   ?   334.960   30.572 0.000000 30.57205 
1 1 1  -54   18    2 o  578.715   47.394 150835.70 22075.03   0.0000   0.0000 150835.70 22075.03  ?   ?   578.715   47.394 0.000000 47.39402 
1 1 1  -54   18    3 o  159.678   12.178 10485.30  1566.95   0.0000   0.0000 10485.30  1566.95  ?   ?   159.678   12.178 0.000000 12.17753 
1 1 1  -54   18    4 o  394.865   19.929 64755.66  6369.10 49762.40 11659.91 71131.80  7603.72  331.545   44.430  412.488   22.791 -80.94272 49.93470 
1 1 1  -54   18    5 o  445.092   21.593 82543.14  7803.56 57751.93 13871.66 94021.14  9438.71  351.132   50.073  472.605   24.682 -121.4740 55.82537 
1 1 1  -54   18    6 o  110.814   12.602  5098.00  1113.74  908.383  2108.19  6719.95  1311.72   64.777   26.088  127.368   12.860 -62.59154 29.08574 
1 1 1  -54   18    7 o  122.969   12.442  6268.70  1225.21  3172.41  2305.20  7487.75  1446.43   86.874   28.393  134.289   13.446 -47.41566 31.41577 
1 1 1  -54   18    8 o  217.868   15.038 19730.14  2643.93 16081.53  4266.23 22005.29  3368.88  190.929   28.383  228.904   18.278 -37.97554 33.75885 
1 1 1  -54   18    9 o   34.650   13.633  291.195  562.615 -291.7914  1525.94  382.915  605.257   47.015   20.675   37.030   14.262 9.984745 25.11629 
1 1 1  -54   18   10 o   20.539   9.7356 -520.0286  434.780 -95.0629  1358.22 -568.5463  458.928   45.572   19.781   20.924   9.9422 24.64787 22.13927 
1 1 1  -54   18   11 o   53.576   10.785  1226.54  452.916 -1410.0710  1452.95  1510.32  476.666   38.455   18.097   59.728   10.195 -21.27304 20.77066 
1 1 1  -54   18   12 o  223.924   10.840 20787.31  1970.93 19619.53  4096.73 21139.00  2248.21  207.678   24.784  224.802   12.364 -17.12363 27.69705 
1 1 1  -54   18   13 o   93.232   8.7389  3616.18  653.829  1704.84  1912.95  3869.00  695.728   66.649   25.430   96.396   8.9926 -29.74740 26.97319 
1 1 1  -54   18   14 o   59.332   10.626  1510.84  493.100 -706.7617  1911.94  1668.85  510.366   48.285   22.021   62.486   10.427 -14.20074 24.36484 
1 1 1  -54   18   15 o   89.173   9.6066  3353.56  684.586  2375.80  2138.46  3465.20  722.614   71.822   27.007   90.523   9.9982 -18.70023 28.79794 
1 1 1  -54   18   16 o   31.159   12.387  248.915  468.937 -5794.8701  1952.13  619.026  483.082   31.349   15.844   38.692   13.010 -7.343508 20.50095 
1 1 1  -54   18   17 o   36.416   13.552  485.983  535.792 -27.2335  2536.19  509.958  548.163   55.045   25.202   37.031   13.722 18.01416 28.69618 
1 1 1  -54   18   18 o   78.510   11.586  2735.30  716.387  1055.27  2682.03  2864.37  743.396   58.827   26.530   80.275   11.753 -21.44795 29.01695 
1 1 1  -54   18   19 o   53.773   19.030  1496.51  1038.59  6020.10  2808.16  779.698  1117.85   86.247   31.203   45.326   18.716 40.92181 36.38541 
1 1 1  -54   18   20 o   48.556   18.374  1263.46  993.467  1118.54  3040.23  1280.79  1051.17   52.207   25.021   48.781   18.793 3.426502 31.29209 
1 1 1  -54   18   21 o   49.046   17.559  1451.40  886.595 -2297.3601  3374.37  1729.38  918.879   41.354   20.893   52.995   17.942 -11.64132 27.53940 
1 1 1  -54   20    1 o   94.570   29.773  3822.96  2551.19   0.0000   0.0000  3822.96  2551.19  ?   ?    94.570   29.773 0.000000 29.77276 
1 1 1  -54   20    2 o  279.822   30.439 33963.28  6804.44   0.0000   0.0000 33963.28  6804.44  ?   ?   279.822   30.439 0.000000 30.43930 
1 1 1  -54   20    3 o  311.006   18.018 40237.14  4530.43   0.0000   0.0000 40237.14  4530.43  ?   ?   311.006   18.018 0.000000 18.01760 
1 1 1  -54   20    4 o  390.695   21.115 64107.43  6673.57 43086.46 12535.27 72422.10  7883.69  293.845   54.547  413.651   23.570 -119.8057 59.42122 
1 1 1  -54   20    5 o  158.112   12.343 10330.76  1572.01  6666.21  3345.62 11369.05  1780.84  120.944   33.103  165.673   13.352 -44.72945 35.69465 
1 1 1  -54   20    6 o  140.600   12.763  8205.10  1441.16  5601.46  2994.17  8990.16  1644.14  110.934   31.673  146.922   13.949 -35.98814 34.60892 
1 1 1  -54   20    7 o  181.189   17.031 13829.53  2476.15   0.0000   0.0000 13829.53  2476.15  ?   ?   181.189   17.031 0.000000 17.03075 
1 1 1  -54   20    8 o  110.815   12.760  5143.79  1127.16  6163.72  2407.75  4857.54  1275.56  116.641   26.077  106.991   15.103 9.649727 30.13535 
1 1 1  -54   20    9 o   84.449   13.311  3032.03  882.492  2296.37  2159.38  3179.54  966.925   75.582   27.359   86.242   14.310 -10.65991 30.87568 
1 1 1  -54   20   10 o   69.904   16.576  2148.58  926.539 -566.9279  2086.10  2815.91  1034.14   52.630   23.595   80.248   16.424 -27.61818 28.74812 
1 1 1  -54   20   11 o   92.611   15.592  3723.66  1130.80  5255.30  2489.92  3325.66  1269.24  104.235   28.569   86.311   18.655 17.92461 34.12074 
1 1 1  -54   20   12 o   42.300   10.723  772.718  368.794   19.016  1861.96  803.494  376.249   52.564   22.983   43.121   10.776 9.443077 25.38362 
1 1 1  -54   20   13 o   97.997   9.1162  4012.89  717.060  3268.41  2569.40  4075.76  746.728   82.221   29.832   98.668   9.4357 -16.44766 31.28825 
1 1 1  -54   20   14 o   35.030   12.072  481.451  416.267  2779.30  1981.86  375.399  425.765   75.548   26.323   32.859   12.110 42.68831 28.97445 
1 1 1  -54   20   15 o  100.355   9.6485  4259.58  776.511 -799.3844  2590.22  4759.14  813.947   53.739   24.913  106.165   9.5442 -52.42652 26.67859 
1 1 1  -54   20   16 o  141.734   10.211  8562.95  1167.24  4769.76  3249.73  9124.80  1250.71   85.871   33.053  146.050   10.619 -60.17873 34.71732 
1 1 1  -54   20   17 o   58.458   12.963  1561.28  599.150  4916.49  2667.35  1382.99  614.863   85.822   30.484   54.610   13.847 31.21112 33.48170 
1 1 1  -54   20   18 f   37.488   16.487  115.950  970.562  399.425  2756.70   75.840  1036.96   53.932   25.235   38.086   16.881 15.84617 30.36068 
1 1 1  -54   20   19 o   52.245   18.692  1488.98  1004.57  2269.15  3180.39  1402.52  1058.77   57.702   27.032   50.978   19.035 6.724354 33.06196 
1 1 1  -54   20   20 f   36.948   16.461  315.235  998.481 -2128.6470  3371.50  550.187  1045.38   42.836   21.545   39.398   17.224 3.437855 27.58354 
1 1 1  -54   22    1 o   95.467   31.185  3970.75  2781.01   0.0000   0.0000  3970.75  2781.01  ?   ?    95.467   31.185 0.000000 31.18501 
1 1 1  -54   22    2 o   63.899   13.501  1746.68  678.537   0.0000   0.0000  1746.68  678.537  ?   ?    63.899   13.501 0.000000 13.50096 
1 1 1  -54   22    3 o  232.359   16.668 22606.47  3123.78   0.0000   0.0000 22606.47  3123.78  ?   ?   232.359   16.668 0.000000 16.66776 
1 1 1  -54   22    4 o   30.863   12.227  215.097  455.440   0.0000   0.0000  215.097  455.440  ?   ?    30.863   12.227 0.000000 12.22703 
1 1 1  -54   22    5 o  157.399   13.433 10329.02  1700.31 10595.69  3805.09 10262.49  1900.62  150.965   32.034  156.333   15.164 -5.367325 35.44147 
1 1 1  -54   22    6 o  178.420   15.491 13393.60  2221.90   0.0000   0.0000 13393.60  2221.90  ?   ?   178.420   15.491 0.000000 15.49080 
1 1 1  -54   22    7 o  161.693   13.855 10964.93  1801.45  7975.67  3848.01 11803.96  2038.66  127.108   35.773  167.287   15.174 -40.17947 38.85836 
1 1 1  -54   22    8 f   74.312   15.082  2396.38  878.924 -2755.2410  2341.67  3241.16  948.255   46.195   22.091   87.098   13.874 -40.90356 26.08651 
1 1 1  -54   22    9 o  203.465   15.525 17592.17  2545.54 17165.97  4531.13 17788.71  3077.00  189.766   30.436  202.444   18.939 -12.67764 35.84710 
1 1 1  -54   22   10 o   93.363   30.508  4247.24  2661.58  4247.24  2661.58   0.0000   0.0000   93.363   30.508  ?   ?  0.000000 30.50850 
1 1 1  -54   22   11 o  205.830   16.367 18328.90  2712.75 15703.35  4753.08 19597.32  3303.67  172.850   35.065  210.144   19.587 -37.29451 40.16511 
1 1 1  -54   22   12 o   39.597   11.156  675.652  374.007  6279.53  2624.77  559.514  377.862  110.871   28.872   36.574   11.449 74.29722 31.05884 
1 1 1  -54   22   13 o   80.779   9.6941  2759.93  623.135  4782.40  3257.54  2683.11  634.858   92.285   33.573   79.512   10.058 12.77268 35.04767 
1 1 1  -54   22   14 f   32.662   12.488  338.118  461.930 -586.8920  2758.46  364.806  468.546   56.117   25.907   33.297   12.614 22.81981 28.81487 
1 1 1  -54   22   15 o   40.129   12.762  697.905  467.797  5166.53  2798.29  569.432  474.474   91.379   31.308   37.340   12.887 54.03872 33.85693 
1 1 1  -54   22   16 f   79.543   11.076  2776.00  695.974  4986.09  3544.58  2687.38  709.791   81.924   33.519   77.994   11.558 3.930183 35.45583 
1 1 1  -54   22   17 o   88.209   20.675  4151.32  1454.97  9934.76  3751.02  3127.05  1578.56  106.209   36.249   73.104   23.464 33.10559 43.18034 
1 1 1  -54   22   18 o   62.258   21.473  2331.06  1317.22  2959.13  3840.11  2247.30  1402.30   60.804   28.853   60.643   22.033 0.1605759 36.30375 
1 1 1  -54   22   19 o   61.477   20.300  2410.72  1177.22  816.125  4220.70  2545.23  1225.87   50.362   25.152   62.650   20.716 -12.28812 32.58488 
1 1 1  -54   24    1 o  115.459   14.536  5628.14  1332.48   0.0000   0.0000  5628.14  1332.48  ?   ?   115.459   14.536 0.000000 14.53552 
1 1 1  -54   24    2 o  127.354   14.280  6826.43  1451.21   0.0000   0.0000  6826.43  1451.21  ?   ?   127.354   14.280 0.000000 14.27987 
1 1 1  -54   24    3 o  163.485   15.441 11270.59  2025.40   0.0000   0.0000 11270.59  2025.40  ?   ?   163.485   15.441 0.000000 15.44077 
1 1 1  -54   24    4 o  128.729   14.803  7008.58  1519.08   0.0000   0.0000  7008.58  1519.08  ?   ?   128.729   14.803 0.000000 14.80275 
1 1 1  -54   24    5 o  218.758   16.666 20309.94  2938.05 19749.36  6530.63 20452.19  3289.77  194.441   42.547  218.292   18.742 -23.85083 46.49196 
1 1 1  -54   24    6 o  137.527   14.612  8014.60  1606.68  763.510  4207.20  9252.65  1738.44   79.256   34.603  147.839   14.676 -68.58335 37.58664 
1 1 1  -54   24    7 o  167.942   14.475 11939.83  1954.61  8632.27  4433.00 12738.05  2177.73  127.210   39.116  172.898   15.683 -45.68755 42.14277 
1 1 1  -54   24    8 o  196.275   16.631 16560.74  2625.53 14054.12  5169.16 17432.25  3047.98  160.844   39.797  199.731   19.024 -38.88631 44.11067 
1 1 1  -54   24    9 o   70.830   29.649  1370.36  2860.64  1370.36  2860.64   0.0000   0.0000   70.830   29.649  ?   ?  0.000000 29.64878 
1 1 1  -54   24   10 o   37.292   15.883   86.189  844.713  404.860  2436.39   42.649  900.572   60.736   26.429   37.913   16.280 22.82320 31.04068 
1 1 1  -54   24   11 o   84.664   17.739  3255.58  1180.41  4713.48  3197.82  3025.59  1270.11   93.307   33.353   80.737   19.577 12.57004 38.67402 
1 1 1  -54   24   12 o  121.795   9.5798  6232.29  939.735  3427.63  3775.28  6417.54  970.275   82.766   34.302  123.527   9.7530 -40.76158 35.66188 
1 1 1  -54   24   13 o   36.013   11.392  548.900  373.150 -1023.4370  3182.95  570.811  375.741   57.555   26.989   36.597   11.410 20.95768 29.30176 
1 1 1  -54   24   14 o   55.542   11.340  1364.86  494.116  3095.56  3074.54  1318.97  500.624   74.688   30.955   54.465   11.671 20.22265 33.08220 
1 1 1  -54   24   15 o   81.280   10.369  2873.39  668.736 -2156.2051  4578.20  2983.04  675.987   58.419   28.614   82.890   10.263 -24.47132 30.39933 
1 1 1  -54   24   16 o   77.968   22.175  3414.98  1470.56  6278.59  4404.42  3055.70  1560.09   78.156   34.710   72.329   23.338 5.826653 41.82579 
1 1 1  -54   24   17 o   86.932   22.914  4582.81  1640.24  1327.08  5439.83  4908.42  1720.31   58.099   28.942   89.403   23.419 -31.30394 37.23038 
1 1 1  -54   24   18 o   54.743   21.688  2017.60  1432.90  1522.74  5187.76  2058.47  1490.89   52.428   26.415   54.871   21.995 -2.443066 34.37364 
1 1 1  -54   26    1 o   39.043   14.197  533.149  582.360   0.0000   0.0000  533.149  582.360  ?   ?    39.043   14.197 0.000000 14.19665 
1 1 1  -54   26    2 o   43.844   15.315  732.380  671.123   0.0000   0.0000  732.380  671.123  ?   ?    43.844   15.315 0.000000 15.31532 
1 1 1  -54   26    3 o  117.231   16.071  5905.94  1489.50   0.0000   0.0000  5905.94  1489.50  ?   ?   117.231   16.071 0.000000 16.07099 
1 1 1  -54   26    4 o   74.085   17.308  2428.63  1022.39   0.0000   0.0000  2428.63  1022.39  ?   ?    74.085   17.308 0.000000 17.30823 
1 1 1  -54   26    5 o  170.952   16.578 12557.29  2272.25   0.0000   0.0000 12557.29  2272.25  ?   ?   170.952   16.578 0.000000 16.57816 
1 1 1  -54   26    6 o  140.145   15.221  8420.54  1704.16  5866.23  4778.56  8792.75  1824.10  105.558   40.212  142.853   16.001 -37.29439 43.27889 
1 1 1  -54   26    7 o  128.253   15.283  7095.21  1560.17  9464.47  4088.95  6691.50  1687.87  131.811   36.799  123.510   17.306 8.300903 40.66487 
1 1 1  -54   26    8 o  113.771   16.632  5690.67  1491.08  3065.77  4263.30  6056.51  1591.60   86.330   36.170  117.100   17.257 -30.76931 40.07588 
1 1 1  -54   26    9 o  235.687   19.353 24896.41  3670.84 23089.63  7190.42 25533.30  4269.08  186.564   47.378  234.678   22.687 -48.11359 52.52971 
1 1 1  -54   26   10 o  193.278   17.204 16598.57  2671.69 20148.79  5705.05 15601.27  3023.74  183.273   39.501  184.023   20.589 -0.7492065 44.54517 
1 1 1  -54   26   11 o   40.792   16.839  350.816  904.547  1944.14  2764.16  159.729  957.253   69.952   29.201   39.588   16.886 30.36319 33.73186 
1 1 1  -54   26   12 o   56.459   20.499  1412.29  1213.53 -6292.3101  3747.13  2315.06  1282.66   48.232   24.026   68.670   21.028 -20.43800 31.92869 
1 1 1  -54   26   13 o  125.215   9.5810  6671.89  966.716  2840.50  4802.46  6833.69  986.918   74.537   34.330  126.680   9.6678 -52.14286 35.66534 
1 1 1  -54   26   14 o   78.369   21.679  3273.18  1426.02 -3335.5359  4631.42  3965.32  1498.84   55.720   27.576   86.866   21.392 -31.14605 34.90018 
1 1 1  -54   26   15 o   67.652   22.263  2627.16  1416.37  494.434  4285.38  2888.71  1500.71   59.059   28.649   70.274   22.906 -11.21503 36.68005 
1 1 1  -54   26   16 f   34.216   16.108 -569.4761  1153.20  222.217  4156.58 -635.4969  1200.32   53.999   26.610   34.498   16.299 19.50122 31.20543 
1 1 1  -54   26   17 o   69.941   24.120  3673.00  1662.06  1741.99  5233.54  3889.59  1752.80   52.425   26.428   70.804   24.750 -18.37888 36.20788 
1 1 1  -54   28    1 o  226.538   19.123 22415.21  3484.60   0.0000   0.0000 22415.21  3484.60  ?   ?   226.538   19.123 0.000000 19.12283 
1 1 1  -54   28    2 o   96.225   18.205  4111.94  1370.28   0.0000   0.0000  4111.94  1370.28  ?   ?    96.225   18.205 0.000000 18.20498 
1 1 1  -54   28    3 o  156.804   17.149 10684.73  2147.80   0.0000   0.0000 10684.73  2147.80  ?   ?   156.804   17.149 0.000000 17.14884 
1 1 1  -54   28    4 o  132.687   17.480  7721.36  1837.40   0.0000   0.0000  7721.36  1837.40  ?   ?   132.687   17.480 0.000000 17.47994 
1 1 1  -54   28    5 o   26.097   12.090 -477.3568  608.461   0.0000   0.0000 -477.3568  608.461  ?   ?    26.097   12.090 0.000000 12.08986 
1 1 1  -54   28    6 f   64.278   19.228  1871.85  1081.46  9013.18  4832.85  1495.41  1109.60  120.837   41.146   58.732   19.717 62.10456 45.62646 
1 1 1  -54   28    7 o  167.514   17.193 12400.26  2305.32  8884.76  6270.46 12949.70  2478.93  112.301   45.076  170.402   18.198 -58.10113 48.61063 
1 1 1  -54   28    8 o  113.533   17.776  5822.95  1584.90  5098.35  5240.50  5895.89  1662.77   93.549   39.694  113.690   18.660 -20.14152 43.86142 
1 1 1  -54   28    9 o   63.566   19.218  1887.69  1076.14  2186.22  4894.82  1872.53  1103.12   79.069   35.733   63.316   19.520 15.75209 40.71665 
1 1 1  -54   28   10 o   60.548   21.104  1698.96  1274.02 -3465.9690  4824.60  2086.12  1320.91   61.302   29.885   65.696   21.494 -4.394062 36.81184 
1 1 1  -54   28   11 o  134.402   19.686  8661.82  2084.65  1548.84  6091.99  9605.20  2218.59   74.620   35.670  141.406   19.871 -66.78566 40.83162 
1 1 1  -54   28   12 o   72.068   21.615  2715.84  1365.31  2529.41  4365.43  2736.05  1437.42   70.903   32.684   71.871   22.303 -0.9676437 39.56822 
1 1 1  -54   28   13 o   30.870   14.675 -905.1405  1002.21 -4195.1860  3219.10 -552.0175  1054.62   45.157   22.457   33.990   15.805 11.16702 27.46153 
1 1 1  -54   28   14 o   69.024   23.100  2883.33  1523.02  3410.55  5976.28  2846.71  1575.02   64.606   31.851   68.135   23.481 -3.529144 39.57121 
1 1 1  -54   28   15 o   52.267   21.311  1555.14  1426.51 -1709.5350  5311.66  1808.92  1480.92   52.049   26.286   54.664   21.918 -2.614712 34.22543 
1 1 1  -54   28   16 o   28.262   13.994 -1785.3680  1198.30  4450.40  5306.13 -2120.4839  1230.07   54.676   27.435   27.597   13.750 27.07884 30.68834 
1 1 1  -54   30    1 o  104.406   21.247  5047.86  1739.92   0.0000   0.0000  5047.86  1739.92  ?   ?   104.406   21.247 0.000000 21.24696 
1 1 1  -54   30    2 o   72.450   20.782  2437.29  1286.17   0.0000   0.0000  2437.29  1286.17  ?   ?    72.450   20.782 0.000000 20.78250 
1 1 1  -54   30    3 o  272.819   22.869 34538.94  5019.29   0.0000   0.0000 34538.94  5019.29  ?   ?   272.819   22.869 0.000000 22.86937 
1 1 1  -54   30    4 o  303.528   25.244 44195.15  6165.00   0.0000   0.0000 44195.15  6165.00  ?   ?   303.528   25.244 0.000000 25.24368 
1 1 1  -54   30    5 o  159.095   19.774 11580.13  2499.25   0.0000   0.0000 11580.13  2499.25  ?   ?   159.095   19.774 0.000000 19.77358 
1 1 1  -54   30    6 o  121.598   51.204 15226.63  8614.29   0.0000   0.0000 15226.63  8614.29  ?   ?   121.598   51.204 0.000000 51.20423 
1 1 1  -54   30    7 o  165.139   18.709 12531.21  2464.33  9905.00  7958.47 12809.72  2591.71  102.686   46.056  166.070   19.598 -63.38396 50.05252 
1 1 1  -54   30    8 o   45.343   18.315  607.762  1042.39  833.340  5645.64  599.800  1060.62   74.262   35.166   45.475   18.438 28.78709 39.70605 
1 1 1  -54   30    9 o   40.322   17.398  162.662  1038.13  625.715  5302.22  144.204  1058.62   70.493   33.580   40.463   17.514 30.02930 37.87313 
1 1 1  -54   30   10 o   55.633   20.173  1455.12  1174.73  1288.88  6085.73  1461.55  1197.25   70.803   34.297   55.786   20.345 15.01717 39.87701 
1 1 1  -54   30   11 o   49.880   19.919  1024.81  1217.72 -1530.3500  6314.63  1123.50  1241.01   63.148   31.413   51.100   20.203 12.04813 37.34821 
1 1 1  -54   30   12 o   49.139   20.390  985.112  1336.21  5585.80  6981.96  810.198  1361.38   69.686   34.369   47.723   20.240 21.96290 39.88599 
1 1 1  -54   30   13 o   35.580   16.656 -482.3305  1203.54 -4170.1431  5633.01 -305.9304  1231.99   51.784   26.255   37.021   17.169 14.76286 31.37084 
1 1 1  -54   30   14 o   66.267   24.266  3248.66  1705.78  1621.14  7392.01  3340.20  1753.09   54.655   27.926   66.648   24.571 -11.99273 37.19677 
1 1 1  -54   32    1 o  199.193   23.038 19044.36  3657.40   0.0000   0.0000 19044.36  3657.40  ?   ?   199.193   23.038 0.000000 23.03823 
1 1 1  -54   32    2 o  100.760   24.344  5099.42  1969.39   0.0000   0.0000  5099.42  1969.39  ?   ?   100.760   24.344 0.000000 24.34391 
1 1 1  -54   32    3 f   99.876   23.325  4966.07  1857.30   0.0000   0.0000  4966.07  1857.30  ?   ?    99.876   23.325 0.000000 23.32495 
1 1 1  -54   32    4 o  113.349   22.099  6283.08  1960.82   0.0000   0.0000  6283.08  1960.82  ?   ?   113.349   22.099 0.000000 22.09896 
1 1 1  -54   32    5 o   98.669   45.218 10596.40  8190.63   0.0000   0.0000 10596.40  8190.63  ?   ?    98.669   45.218 0.000000 45.21796 
1 1 1  -54   32    6 f   61.299   21.818  1801.23  1367.02   0.0000   0.0000  1801.23  1367.02  ?   ?    61.299   21.818 0.000000 21.81813 
1 1 1  -54   32    7 o   79.891   22.630  3352.45  1534.72 -10093.9502  9686.16  3698.71  1554.36   66.048   33.583   84.263   22.351 -18.21509 40.34123 
1 1 1  -54   32    8 o   51.383   20.514  1069.82  1291.23  1140.50  8099.91  1067.98  1307.96   71.458   35.551   51.480   20.614 19.97738 41.09521 
1 1 1  -54   32    9 o   66.596   23.474  2502.41  1578.67  8291.70  9269.19  2329.47  1602.07   75.884   37.798   64.588   23.537 11.29576 44.52776 
1 1 1  -54   32   10 o   73.890   23.781  3288.78  1620.69  267.547  8137.72  3413.57  1653.82   63.390   32.075   75.051   24.009 -11.66096 40.06541 
1 1 1  -54   32   11 o  142.562   24.667 12321.01  2752.00 11720.23 10311.15 12367.08  2855.58   66.896   34.075  140.230   26.038 -73.33369 42.88466 
1 1 1  -54   32   12 o   68.249   24.518  3372.12  1730.06  556.153  9234.92  3474.54  1761.24   55.676   28.614   68.956   24.741 -13.27943 37.82713 
1 1 1  -54   34    1 o   51.884   22.491  595.282  1751.02   0.0000   0.0000  595.282  1751.02  ?   ?    51.884   22.491 0.000000 22.49075 
1 1 1  -54   34    2 o   74.788   25.174  3080.28  1808.82   0.0000   0.0000  3080.28  1808.82  ?   ?    74.788   25.174 0.000000 25.17390 
1 1 1  -54   34    3 o   69.067   33.067  1102.81  5279.66   0.0000   0.0000  1102.81  5279.66  ?   ?    69.067   33.067 0.000000 33.06699 
1 1 1  -54   34    4 o   83.342   25.532  3985.34  1890.70   0.0000   0.0000  3985.34  1890.70  ?   ?    83.342   25.532 0.000000 25.53212 
1 1 1  -54   34    5 o   71.347   24.532  2906.20  1718.61   0.0000   0.0000  2906.20  1718.61  ?   ?    71.347   24.532 0.000000 24.53166 
1 1 1  -54   34    6 o   68.132   22.846  2607.71  1489.72   0.0000   0.0000  2607.71  1489.72  ?   ?    68.132   22.846 0.000000 22.84616 
1 1 1  -54   34    7 o   27.869   13.774 -2051.6230  1141.66   0.0000   0.0000 -2051.6230  1141.66  ?   ?    27.869   13.774 0.000000 13.77366 
1 1 1  -54   34    8 o   69.839   25.110  3203.72  1814.98 -514.4604 13636.80  3270.77  1831.27   62.674   32.326   70.407   25.232 -7.733822 41.00774 
1 1 1  -54   34    9 o   70.574   25.599  3563.08  1891.77 13783.78 12087.07  3306.43  1915.37   64.477   33.127   67.813   25.547 -3.336670 41.83361 
1 1 1  -54   36    1 o   61.221   26.324  2098.48  2360.23   0.0000   0.0000  2098.48  2360.23  ?   ?    61.221   26.324 0.000000 26.32419 
1 1 1  -54   36    2 o   34.059   16.570 -1701.9600  1462.10   0.0000   0.0000 -1701.9600  1462.10  ?   ?    34.059   16.570 0.000000 16.57029 
1 1 1  -54   36    3 o   87.215   29.343  5580.28  2457.48   0.0000   0.0000  5580.28  2457.48  ?   ?    87.215   29.343 0.000000 29.34265 
1 1 1  -54   36    4 f   44.868   20.291  281.963  1581.55   0.0000   0.0000  281.963  1581.55  ?   ?    44.868   20.291 0.000000 20.29088 
1 1 1  -53    1    1 o  541.574   27.780 121253.00 12174.65 127747.10 17212.41 114751.10 17222.71  551.351   38.693  521.322   41.018 30.02924 56.38865 
1 1 1  -53    1    2 o  464.303   24.480 88859.45  9196.49 90389.43 13006.86 87329.98 13004.74  464.803   34.714  456.576   35.355 8.227325 49.54858 
1 1 1  -53    1    3 o  645.297   45.944 177617.80 23915.52 177617.80 23915.52   0.0000   0.0000  645.297   45.944  ?   ?  0.000000 45.94390 
1 1 1  -53    1    4 o  364.549   25.988 55055.89  7641.99 55055.89  7641.99   0.0000   0.0000  364.549   25.988  ?   ?  0.000000 25.98756 
1 1 1  -53    1    5 o  591.293   42.242 148802.91 20147.54 148802.91 20147.54   0.0000   0.0000  591.293   42.242  ?   ?  0.000000 42.24247 
1 1 1  -53    1    6 o  306.080   22.204 38724.06  5480.66   0.0000   0.0000 38724.06  5480.66  ?   ?   306.080   22.204 0.000000 22.20361 
1 1 1  -53    1    7 o   91.974   8.0094  3466.63  592.170  2961.79  873.610  3895.76  805.446   84.202   13.213   97.262   10.358 -13.06046 16.78898 
1 1 1  -53    1    8 o  695.175   34.351 203583.59 19389.48 215414.41 27436.74 191780.09 27405.03  701.303   48.480  658.307   51.685 42.99524 70.86395 
1 1 1  -53    1    9 o  588.983   29.104 145095.20 13918.74 155335.20 19700.36 134888.91 19667.81  599.949   40.681  556.214   43.906 43.73523 59.85558 
1 1 1  -53    1   10 o  335.544   17.315 46381.89  4701.42 46348.00  6670.21 46415.34  6627.61  332.889   24.857  333.203   24.672 -0.3138123 35.02256 
1 1 1  -53    1   11 o  499.588   25.141 104529.20 10165.82 107206.10 14400.73 101870.20 14352.66  498.224   35.837  484.889   36.727 13.33496 51.31451 
1 1 1  -53    1   12 o  276.022   14.974 31390.85  3343.36 32281.38  4747.65 30514.74  4709.05  277.909   21.199  269.985   21.663 7.924164 30.31048 
1 1 1  -53    1   13 f  218.640   9.6593 19523.48  1714.81 21749.36  3088.71 18531.69  2061.74  228.830   16.740  212.341   12.007 16.48938 20.60087 
1 1 1  -53    1   14 o  183.632   9.1172 13783.55  1359.41 15434.28  2540.98 13121.62  1609.04  192.202   16.440  178.531   11.156 13.67053 19.86775 
1 1 1  -53    1   15 o  128.976   8.3841  6835.52  873.250  6288.63  1740.12  7019.61  1009.58  120.981   18.285  130.469   9.5974 -9.488167 20.65052 
1 1 1  -53    1   16 o  151.300   8.3106  9422.84  1017.05 12419.78  1936.08  8280.60  1195.26  171.735   14.006  141.217   10.499 30.51842 17.50456 
1 1 1  -53    1   17 f  134.709   8.9993  7523.68  978.671  3306.54  1917.85  9008.46  1137.99   83.639   25.730  147.262   9.5691 -63.62362 27.45186 
1 1 1  -53    1   18 o  169.841   9.2972 12012.45  1277.27 13001.60  2436.52 11637.63  1499.87  171.233   17.784  166.239   11.177 4.993210 21.00437 
1 1 1  -53    1   19 o  125.514   8.9741  6598.37  908.544  4766.49  1948.19  7107.50  1027.07   97.209   24.648  129.907   9.8094 -32.69746 26.52788 
1 1 1  -53    1   20 o   32.611   11.117  427.900  352.785  1458.29  1164.81  323.837  370.171   56.548   20.139   30.436   11.277 26.11143 23.08096 
1 1 1  -53    1   21 o   96.951   9.4162  4031.65  731.903  3303.88  1849.41  4166.79  796.969   75.597   25.455   98.163   10.145 -22.56580 27.40202 
1 1 1  -53    1   22 o   52.279   16.428  1361.58  777.110   0.0000   0.0000  1361.58  777.110  ?   ?    52.279   16.428 0.000000 16.42760 
1 1 1  -53    1   23 o   57.643   11.321  1554.88  510.945  2813.11  1915.37  1458.48  530.157   61.020   24.764   55.239   12.150 5.780411 27.58438 
1 1 1  -53    1   24 o   57.718   12.249  1668.42  556.307   0.0000   0.0000  1668.42  556.307  ?   ?    57.718   12.249 0.000000 12.24942 
1 1 1  -53    3    1 o  458.465   24.021 86583.40  8910.78 86086.10 12587.73 87082.92 12615.81  453.725   34.424  456.407   34.293 -2.682343 48.59090 
1 1 1  -53    3    2 o  418.392   19.817 71664.79  6732.13 75107.73  8140.81 64217.03 11973.35  426.962   23.574  389.949   38.310 37.01291 44.98195 
1 1 1  -53    3    3 o  270.706   19.976 30174.06  4359.73 30174.06  4359.73   0.0000   0.0000  270.706   19.976  ?   ?  0.000000 19.97571 
1 1 1  -53    3    4 o  321.132   23.428 42621.89  6066.73 42621.89  6066.73   0.0000   0.0000  321.132   23.428  ?   ?  0.000000 23.42828 
1 1 1  -53    3    5 o  259.219   13.803 27486.24  2894.67 24831.98  4162.25 29972.52  4028.40  245.077   21.123  269.945   18.490 -24.86749 28.07241 
1 1 1  -53    3    6 o  303.286   15.358 37674.95  3769.82 39204.74  5403.31 36224.04  5262.15  308.062   21.741  295.987   22.054 12.07422 30.96827 
1 1 1  -53    3    7 o  166.054   13.708 11331.79  1831.70   0.0000   0.0000 11331.79  1831.70  ?   ?   166.054   13.708 0.000000 13.70771 
1 1 1  -53    3    8 o  372.284   18.410 56886.75  5565.04 61071.35  7938.48 52843.17  7803.58  382.966   25.678  355.553   27.237 27.41287 37.43304 
1 1 1  -53    3    9 o  205.612   17.365 17470.80  2872.04 17470.80  2872.04   0.0000   0.0000  205.612   17.365  ?   ?  0.000000 17.36540 
1 1 1  -53    3   10 o   39.173   15.674  307.854  755.516  307.854  755.516   0.0000   0.0000   39.173   15.674  ?   ?  0.000000 15.67366 
1 1 1  -53    3   11 o  190.295   17.088 15018.17  2612.19 15018.17  2612.19   0.0000   0.0000  190.295   17.088  ?   ?  0.000000 17.08812 
1 1 1  -53    3   12 o  173.936   10.152 12392.81  1427.50 15355.51  2227.16 10327.01  1859.73  192.892   14.322  157.911   14.672 34.98186 20.50359 
1 1 1  -53    3   13 f   69.266   9.4904  1995.25  519.722  3640.89  1106.53  1529.46  588.699   92.843   15.205   59.980   12.493 32.86298 19.67918 
1 1 1  -53    3   14 o  150.001   10.169  9255.97  1231.18  8408.66  1991.02  9780.56  1566.61  141.016   17.784  153.669   12.668 -12.65378 21.83508 
1 1 1  -53    3   15 o  170.846   11.472 12085.64  1582.13  8090.88  2475.16 14845.40  2057.28  135.295   23.377  188.746   13.513 -53.45082 27.00138 
1 1 1  -53    3   16 o  259.244   14.902 28357.20  3123.56 25533.12  4611.54 30751.14  4245.85  238.829   24.110  266.243   19.782 -27.41377 31.18695 
1 1 1  -53    3   17 o   51.908   10.378  1156.52  422.122 -520.4310  1198.54  1393.99  451.021   38.878   17.615   57.187   10.082 -18.30926 20.29629 
1 1 1  -53    3   18 o  158.888   8.4652 10475.37  1088.18  9958.54  1369.22 11361.49  1792.86  153.750   11.041  162.726   13.696 -8.976303 17.59272 
1 1 1  -53    3   19 o  116.353   7.4833  5622.56  703.237  6003.99  910.174  5057.58  1107.73  119.465   9.4605  107.973   12.890 11.49171 15.98909 
1 1 1  -53    3   20 o   56.894   8.3045  1378.64  372.330  1572.03  481.205  1090.15  587.737   60.166   10.215   49.044   14.043 11.12141 17.36560 
1 1 1  -53    3   21 f  105.582   7.4740  4686.72  636.599  5283.44  828.646  3827.35  994.434  111.134   9.2675   91.697   13.783 19.43798 16.60862 
1 1 1  -53    3   22 o   38.276   9.6276  658.452  298.935  666.076  397.267  648.500  453.882   38.270   11.700   38.032   12.607 0.2379417 17.19961 
1 1 1  -53    3   23 o   71.892   7.9269  2252.46  455.028  2522.54  588.654  1851.49  717.248   74.729   9.9486   60.235   14.777 14.49424 17.81359 
1 1 1  -53    3   24 o   48.032   9.4937  1080.88  357.130  1422.70  491.295  697.886  520.047   53.608   11.622   37.168   13.431 16.43990 17.76107 
1 1 1  -53    5    1 o  295.039   12.050 35450.27  2886.77 33137.09  3436.18 40999.34  5322.08  284.630   14.920  315.638   20.884 -31.00775 25.66620 
1 1 1  -53    5    2 o  100.741   9.1773  4161.94  742.455  4536.63  830.962  2678.76  1653.26  105.138   9.8486   80.145   23.729 24.99346 25.69121 
1 1 1  -53    5    3 o  331.608   19.400 45180.23  5200.75 50950.32  6942.64 37801.93  7850.75  351.017   24.513  299.806   32.784 51.21045 40.93534 
1 1 1  -53    5    4 f  149.435   13.781  9184.03  1653.25  9184.03  1653.25   0.0000   0.0000  149.435   13.781  ?   ?  0.000000 13.78057 
1 1 1  -53    5    5 o  284.324   21.451 33391.26  4915.73 33391.26  4915.73   0.0000   0.0000  284.324   21.451  ?   ?  0.000000 21.45091 
1 1 1  -53    5    6 o  103.062   12.372  4392.08  1014.62  4392.08  1014.62   0.0000   0.0000  103.062   12.372  ?   ?  0.000000 12.37186 
1 1 1  -53    5    7 o  613.762   44.842 162985.59 22192.39 162985.59 22192.39   0.0000   0.0000  613.762   44.842  ?   ?  0.000000 44.84171 
1 1 1  -53    5    8 o  324.016   24.272 43695.84  6339.38 43695.84  6339.38   0.0000   0.0000  324.016   24.272  ?   ?  0.000000 24.27215 
1 1 1  -53    5    9 o  575.034   29.018 138819.59 13505.12 134602.00 19220.67 142932.09 18979.86  555.498   42.947  574.275   40.973 -18.77777 59.35669 
1 1 1  -53    5   10 o  210.849   11.549 18205.05  1969.75 19828.68  2934.32 16873.32  2657.50  219.107   16.617  202.083   16.336 17.02380 23.30203 
1 1 1  -53    5   11 o  164.619   10.547 11106.22  1402.42 12055.16  2084.70 10321.77  1895.42  170.707   15.199  157.906   14.962 12.80118 21.32767 
1 1 1  -53    5   12 o  169.105   8.0955 11652.90  1111.58 18084.14  2123.62  9225.87  1304.57  209.759   12.526  149.872   10.793 59.88672 16.53402 
1 1 1  -53    5   13 o  284.539   12.320 33215.13  2846.28 33516.96  5096.96 33078.34  3431.09  281.638   22.476  282.868   14.992 -1.230347 27.01705 
1 1 1  -53    5   14 o   82.137   8.4693  2785.47  556.734  1542.87  1273.68  3078.96  618.999   62.286   21.124   86.317   8.9626 -24.03066 22.94631 
1 1 1  -53    5   15 o   30.926   10.312  372.335  303.526 -1302.5990  1079.19  516.210  316.293   31.981   15.211   35.142   10.372 -3.160929 18.41042 
1 1 1  -53    5   16 o   49.631   9.0859  1044.86  352.654 -1867.6830  1165.61  1338.32  369.994   30.750   14.922   56.498   8.3140 -25.74744 17.08195 
1 1 1  -53    5   17 o  114.274   8.4892  5414.68  782.062  5677.46  1701.06  5344.25  880.652  112.463   19.325  113.173   9.6765 -0.7094727 21.61188 
1 1 1  -53    5   18 o   47.678   11.849  995.453  456.684  780.815  1297.89  1025.78  487.884   51.201   20.523   48.334   12.378 2.867500 23.96659 
1 1 1  -53    5   19 o   39.553   12.035  675.015  421.026  1519.83  1390.53  589.748  441.762   59.203   21.872   37.680   12.435 21.52341 25.15992 
1 1 1  -53    5   20 o   56.469   11.310  1409.73  500.471 -338.6844  1551.11  1612.91  528.750   43.730   19.901   60.554   11.165 -16.82426 22.81955 
1 1 1  -53    5   21 o   62.363   10.269  1709.90  501.906 -1804.1370  1669.04  2059.26  526.264   37.142   17.984   68.828   9.6845 -31.68634 20.42590 
1 1 1  -53    5   22 o   72.926   11.769  2427.31  673.166  2594.39  1920.79  2403.91  718.751   63.443   25.118   71.882   12.783 -8.438301 28.18333 
1 1 1  -53    5   23 o   55.008   12.719  1479.00  556.736  251.145  1978.51  1584.59  580.180   44.440   20.975   56.884   12.863 -12.44338 24.60522 
1 1 1  -53    5   24 o   34.278   10.152  566.466  302.598  604.894  389.180  507.720  481.192   34.992   11.677   33.224   12.736 1.767757 17.27896 
1 1 1  -53    7    3 o  387.249   28.132 62356.61  8785.28 62356.61  8785.28   0.0000   0.0000  387.249   28.132  ?   ?  0.000000 28.13218 
1 1 1  -53    7    4 o  352.844   25.890 51670.58  7365.62 51670.58  7365.62   0.0000   0.0000  352.844   25.890  ?   ?  0.000000 25.88987 
1 1 1  -53    7    5 o  391.720   28.530 63989.56  9011.99 63989.56  9011.99   0.0000   0.0000  391.720   28.530  ?   ?  0.000000 28.52999 
1 1 1  -53    7    6 o  188.882   16.072 14697.08  2441.54 14697.08  2441.54   0.0000   0.0000  188.882   16.072  ?   ?  0.000000 16.07248 
1 1 1  -53    7    7 o  343.328   18.243 48498.47  5067.30 42293.78  7284.57 54315.75  7053.49  317.444   28.568  361.632   24.161 -44.18701 37.41446 
1 1 1  -53    7    8 f  215.279   11.436 18955.35  1991.75   0.0000   0.0000 18955.35  1991.75  ?   ?   215.279   11.436 0.000000 11.43550 
1 1 1  -53    7    9 o  382.261   15.667 59902.56  4862.70 57846.83  8589.65 60872.11  5898.99  370.414   28.786  384.498   18.895 -14.08466 34.43293 
1 1 1  -53    7   10 o  345.979   13.700 49006.88  3848.76 59999.69  6843.79 43922.15  4654.54  379.599   22.302  326.187   17.640 53.41232 28.43477 
1 1 1  -53    7   11 o  210.947   9.5406 18150.21  1634.13 20293.14  3026.06 17268.03  1941.57  221.321   16.968  205.189   11.702 16.13162 20.61216 
1 1 1  -53    7   12 o  293.763   11.981 35339.65  2857.89 45996.02  5132.76 30551.55  3440.55  332.429   19.096  271.882   15.651 60.54703 24.69034 
1 1 1  -53    7   13 o  234.311   10.452 22473.18  1988.58 25141.81  3643.09 21340.60  2373.34  245.083   18.442  227.492   12.902 17.59073 22.50717 
1 1 1  -53    7   14 o  181.696   9.3126 13555.19  1369.28 12826.93  2605.23 13833.15  1609.51  173.775   18.761  183.184   10.870 -9.408951 21.68274 
1 1 1  -53    7   15 o  116.521   8.1261  5589.33  764.003  5579.92  1657.10  5591.86  860.970  113.224   18.676  116.324   9.1903 -3.100250 20.81487 
1 1 1  -53    7   16 o  110.155   8.8023  5027.85  780.724  5048.72  1623.27  5021.57  890.481  106.450   19.499  109.737   10.108 -3.286972 21.96311 
1 1 1  -53    7   17 o  171.346   9.4049 12202.40  1303.47 12612.99  2539.63 12055.56  1518.78  168.530   18.884  169.546   11.094 -1.016052 21.90116 
1 1 1  -53    7   18 o  164.068   9.4040 11247.85  1247.55 13159.87  2485.18 10603.69  1442.47  171.210   18.154  158.295   11.297 12.91594 21.38173 
1 1 1  -53    7   19 o   27.132   10.883  166.740  365.285 -1893.6801  1338.23  332.615  379.704   32.983   16.002   30.916   11.428 2.066816 19.66364 
1 1 1  -53    7   20 o   93.507   9.7800  3743.35  731.554  5884.18  1846.14  3344.57  796.780  107.901   21.822   87.486   11.495 20.41539 24.66399 
1 1 1  -53    7   21 o   67.663   11.492  2049.32  608.773  3511.68  1803.61  1861.30  646.727   76.810   25.115   63.647   12.955 13.16359 28.25946 
1 1 1  -53    7   22 o   34.171   13.402  417.866  542.030  1964.85  1537.10  198.182  579.239   57.695   22.585   31.469   13.266 26.22637 26.19261 
1 1 1  -53    7   23 o   58.809   13.859  1754.00  650.932  1867.76  2145.97  1742.48  683.116   51.773   23.503   58.006   14.534 -6.232582 27.63333 
1 1 1  -53    7   24 o   24.843   11.088   4.3003  455.393   0.0000   0.0000   4.3003  455.393  ?   ?    24.843   11.088 0.000000 11.08849 
1 1 1  -53    9    2 o  269.171   24.815 30107.67  5362.42   0.0000   0.0000 30107.67  5362.42  ?   ?   269.171   24.815 0.000000 24.81488 
1 1 1  -53    9    4 o  142.451   14.125  8363.38  1612.19  8363.38  1612.19   0.0000   0.0000  142.451   14.125  ?   ?  0.000000 14.12463 
1 1 1  -53    9    5 o  396.986   29.078 65887.42  9307.83 65887.42  9307.83   0.0000   0.0000  396.986   29.078  ?   ?  0.000000 29.07820 
1 1 1  -53    9    6 o  449.127   22.292 83179.45  8129.30 82971.74 11622.68 83378.40 11374.46  443.664   32.490  445.159   31.675 -1.495087 45.37506 
1 1 1  -53    9    7 f  167.308   10.621 11453.92  1435.31  8453.20  2144.99 13886.83  1931.42  142.190   19.058  183.957   13.015 -41.76689 23.07820 
1 1 1  -53    9    8 o  260.233   13.369 27752.62  2815.44   0.0000   0.0000 27752.62  2815.44  ?   ?   260.233   13.369 0.000000 13.36949 
1 1 1  -53    9    9 o  188.385   8.4096 14451.30  1286.34 20221.05  2451.23 12258.53  1511.14  221.882   13.672  173.002   10.812 48.87933 17.43069 
1 1 1  -53    9   10 o  296.476   12.355 35947.75  2974.11 38733.14  5337.24 34693.34  3581.74  304.714   21.714  290.317   15.248 14.39767 26.53267 
1 1 1  -53    9   11 o  138.414   7.7750  7828.54  870.276  7936.39  1761.05  7793.69  1001.05  137.949   16.021  137.955   8.9858 -0.6195068E-02 18.36851 
1 1 1  -53    9   12 o  154.013   8.2188  9700.74  1024.08 11436.26  2031.12  9109.18  1185.83  165.880   15.251  148.986   9.8583 16.89458 18.15968 
1 1 1  -53    9   13 o  191.191   9.3846 14952.70  1456.86 14648.65  2765.07 15069.54  1714.08  186.388   18.516  191.344   11.080 -4.955597 21.57759 
1 1 1  -53    9   14 o  135.758   8.5073  7574.76  933.024  6965.06  1986.69  7747.29  1056.82  126.728   19.968  137.085   9.5543 -10.35685 22.13619 
1 1 1  -53    9   15 o   52.724   11.626  1196.00  484.343 -749.4396  1224.86  1556.57  527.321   38.132   17.479   60.419   11.160 -22.28699 20.73804 
1 1 1  -53    9   16 o   84.272   8.9958  2962.20  606.031  1626.13  1482.03  3230.47  664.093   63.133   22.691   87.928   9.4500 -24.79517 24.58023 
1 1 1  -53    9   17 o   80.146   9.7304  2706.62  620.232  980.358  1523.52  3049.56  679.050   55.864   22.290   85.046   10.026 -29.18188 24.44083 
1 1 1  -53    9   18 o   50.646   12.307  1132.35  501.107 -1101.8910  1403.79  1458.63  536.451   38.151   17.901   57.717   11.844 -19.56577 21.46424 
1 1 1  -53    9   19 o   28.410   12.065   57.260  484.824  121.173  1178.89   44.250  531.885   42.349   18.406   29.421   12.569 12.92777 22.28812 
1 1 1  -53    9   20 o   14.734   7.3610 -949.4089  362.897 -2113.8350  1195.70 -831.2680  380.862   29.129   14.339   16.041   7.9329 13.08856 16.38693 
1 1 1  -53    9   21 o   96.798   10.578  4119.56  817.882  6076.76  2150.55  3788.60  884.333  100.009   26.178   91.683   12.181 8.326073 28.87283 
1 1 1  -53    9   22 o   68.720   14.630  2331.29  791.265  4155.89  2159.40  2048.30  850.415   72.952   27.196   62.720   16.483 10.23211 31.80100 
1 1 1  -53    9   23 o   20.166   9.8620 -823.3694  537.517 -3656.3511  1661.34 -492.1348  568.072   28.778   14.553   23.190   11.031 5.587931 18.26168 
1 1 1  -53    9   24 o   42.848   15.423  1114.85  684.911   0.0000   0.0000  1114.85  684.911  ?   ?    42.848   15.423 0.000000 15.42299 
1 1 1  -53   11    1 o  113.855   22.414  5512.82  1998.36   0.0000   0.0000  5512.82  1998.36  ?   ?   113.855   22.414 0.000000 22.41433 
1 1 1  -53   11    2 o  493.799   38.178 103472.40 15188.40   0.0000   0.0000 103472.40 15188.40  ?   ?   493.799   38.178 0.000000 38.17776 
1 1 1  -53   11    3 o  206.981   23.536 17882.92  3885.12   0.0000   0.0000 17882.92  3885.12  ?   ?   206.981   23.536 0.000000 23.53577 
1 1 1  -53   11    4 o  318.394   17.439 41652.94  4491.37 34319.45  5946.10 51395.85  6853.64  286.803   25.810  351.956   24.128 -65.15302 35.33158 
1 1 1  -53   11    5 o  281.167   15.756 32449.14  3582.60 28128.01  5274.99 36148.91  4881.02  259.397   25.370  295.744   20.452 -36.34686 32.58677 
1 1 1  -53   11    6 o  100.623   8.8141  4152.97  712.878  2127.49  1172.28  5341.54  898.002   70.867   19.675  114.100   9.7877 -43.23220 21.97476 
1 1 1  -53   11    7 o  272.093   15.205 30411.24  3345.84 26233.47  4880.93 34114.59  4595.44  250.319   24.321  287.100   19.835 -36.78032 31.38383 
1 1 1  -53   11    8 o  368.647   26.874 57106.64  7988.84   0.0000   0.0000 57106.64  7988.84  ?   ?   368.647   26.874 0.000000 26.87423 
1 1 1  -53   11    9 o  570.812   22.033 135271.59 10211.92 156345.59 17901.15 125105.10 12433.49  600.914   36.867  544.456   28.222 56.45807 46.42865 
1 1 1  -53   11   10 o  201.808   8.8901 16603.46  1456.74 23646.34  2797.60 13983.47  1706.32  239.597   14.448  184.603   11.440 54.99361 18.42863 
1 1 1  -53   11   11 o  144.235   8.1766  8508.28  953.657  7449.06  1982.44  8827.20  1087.79  132.733   18.931  146.786   9.1729 -14.05272 21.03595 
1 1 1  -53   11   12 o  214.399   9.8714 18803.53  1718.45 20680.38  3268.72 18086.66  2020.15  222.127   18.286  209.583   11.920 12.54373 21.82803 
1 1 1  -53   11   13 o  181.167   8.9396 13435.11  1315.03 16187.82  2567.71 12456.40  1531.05  196.404   16.247  173.768   10.907 22.63591 19.56838 
1 1 1  -53   11   14 o  126.592   8.2766  6595.18  846.057 10055.86  1800.65  5614.71  958.444  154.514   14.523  116.323   10.252 38.19071 17.77709 
1 1 1  -53   11   15 o  165.162   9.1974 11276.87  1228.54 10984.11  2464.15 11373.71  1417.24  158.138   19.612  165.385   10.610 -7.247208 22.29762 
1 1 1  -53   11   16 o  109.400   8.5782  4968.16  755.888  6195.22  1615.29  4624.11  855.319  118.625   17.278  105.056   10.154 13.56920 20.04010 
1 1 1  -53   11   17 f  196.740   10.304 16219.75  1640.31 16824.69  3217.41 16007.29  1906.72  191.354   21.056  194.273   12.149 -2.919022 24.30936 
1 1 1  -53   11   18 o  123.132   9.7539  6393.02  967.203  6171.32  1972.14  6463.23  1109.84  112.751   22.332  123.077   11.229 -10.32658 24.99591 
1 1 1  -53   11   19 o   78.697   11.794  2712.52  730.408  2250.62  1889.74  2793.65  791.955   67.091   25.352   79.441   12.706 -12.35062 28.35802 
1 1 1  -53   11   20 o   59.986   14.901  1696.28  722.519  1874.55  1927.54  1667.14  779.341   61.418   24.872   59.001   15.906 2.417061 29.52304 
1 1 1  -53   11   21 o   33.917   13.918  311.697  613.441  2730.75  1945.57   44.661  646.413   65.374   25.459   31.106   13.573 34.26823 28.85113 
1 1 1  -53   11   22 o   51.960   15.388  1402.94  695.219 -1556.9010  2200.10  1731.28  732.765   40.130   19.693   57.838   15.349 -17.70840 24.96787 
1 1 1  -53   11   23 o   48.762   16.071  1374.59  737.982  1268.08  2464.89  1385.07  773.462   46.093   22.203   48.568   16.461 -2.475754 27.63954 
1 1 1  -53   13    1 o   88.801   24.760  3354.55  1852.37   0.0000   0.0000  3354.55  1852.37  ?   ?    88.801   24.760 0.000000 24.75964 
1 1 1  -53   13    2 o  497.864   38.940 105822.70 15616.15   0.0000   0.0000 105822.70 15616.15  ?   ?   497.864   38.940 0.000000 38.94013 
1 1 1  -53   13    3 o  373.677   31.497 58844.47  9467.58   0.0000   0.0000 58844.47  9467.58  ?   ?   373.677   31.497 0.000000 31.49724 
1 1 1  -53   13    4 o  148.634   21.744  9293.00  2546.61   0.0000   0.0000  9293.00  2546.61  ?   ?   148.634   21.744 0.000000 21.74427 
1 1 1  -53   13    5 o  418.481   24.136 72799.63  8166.50 56805.77 11880.96 87123.77 11243.70  361.366   41.230  454.779   30.627 -93.41315 51.36068 
1 1 1  -53   13    6 o  184.665   12.084 13980.76  1801.85 11286.80  2784.36 15921.82  2363.46  163.982   21.424  196.645   14.913 -32.66258 26.10335 
1 1 1  -53   13    7 o  275.713   15.747 31281.27  3510.61 27140.81  5158.73 34852.66  4791.12  253.996   25.352  289.768   20.496 -35.77150 32.60080 
1 1 1  -53   13    8 o  306.563   23.004 39292.07  5684.29   0.0000   0.0000 39292.07  5684.29  ?   ?   306.563   23.004 0.000000 23.00364 
1 1 1  -53   13    9 o  308.004   16.931 39204.02  4218.13 36681.14  6158.29 41433.74  5789.47  294.387   26.032  314.447   22.831 -20.05960 34.62517 
1 1 1  -53   13   10 o  283.970   11.702 33012.07  2698.29 38943.89  5015.28 30595.56  3201.07  305.251   20.351  272.397   14.525 32.85394 25.00331 
1 1 1  -53   13   11 o  110.850   7.7699  5035.36  694.918  2753.72  1731.91  5473.18  758.667   80.183   24.411  115.541   8.1388 -35.35783 25.73247 
1 1 1  -53   13   12 o  349.010   13.897 50375.52  3938.20 57906.67  7147.77 47092.79  4719.08  366.820   24.133  335.303   17.393 31.51703 29.74759 
1 1 1  -53   13   13 o   46.050   11.146  909.005  412.263 -2069.9690  1434.41  1177.24  430.424   35.136   16.928   52.590   10.448 -17.45404 19.89301 
1 1 1  -53   13   14 o  218.483   10.685 19744.58  1895.50 19019.15  3679.92 20006.56  2211.45  207.279   22.211  218.858   12.496 -11.57930 25.48470 
1 1 1  -53   13   15 o  163.900   9.3960 11137.83  1245.22 10335.47  2632.42 11369.11  1413.34  151.048   22.119  165.135   10.597 -14.08731 24.52622 
1 1 1  -53   13   16 o  142.712   9.1631  8475.95  1056.18  7921.68  2399.93  8609.08  1176.21  129.533   23.691  143.432   10.165 -13.89894 25.78006 
1 1 1  -53   13   17 o  204.673   11.094 17701.54  1836.83 15404.26  3679.15 18464.26  2119.94  175.712   26.621  207.863   12.620 -32.15115 29.46125 
1 1 1  -53   13   18 o   63.840   11.642  1786.31  581.258   11.360  1796.15  1993.94  614.314   49.501   22.063   67.542   11.621 -18.04133 24.93661 
1 1 1  -53   13   19 o   77.336   11.734  2634.49  713.666  3153.28  2077.59  2565.08  759.906   74.552   26.859   75.743   12.813 -1.190933 29.75846 
1 1 1  -53   13   20 o   32.983   12.923  350.745  503.665 -4549.0991  2030.18  672.100  519.919   33.567   16.861   39.307   13.494 -5.740135 21.59591 
1 1 1  -53   13   21 o   48.918   16.181  1202.95  747.830  1781.62  2334.22  1136.76  789.441   56.468   25.162   47.744   16.614 8.724518 30.15212 
1 1 1  -53   13   22 o   56.663   16.772  1790.67  826.092  1550.94  2646.00  1816.56  869.557   50.599   23.994   56.513   17.315 -5.913342 29.58912 
1 1 1  -53   13   23 o   47.883   16.709  1430.71  798.774  1988.32  2434.19  1363.42  845.598   46.222   22.215   46.362   17.069 -0.1406898 28.01486 
1 1 1  -53   15    1 o  186.108   23.506 14534.79  3472.86   0.0000   0.0000 14534.79  3472.86  ?   ?   186.108   23.506 0.000000 23.50594 
1 1 1  -53   15    2 o  231.593   25.373 22504.20  4693.12   0.0000   0.0000 22504.20  4693.12  ?   ?   231.593   25.373 0.000000 25.37261 
1 1 1  -53   15    3 o  312.684   29.057 41212.41  7292.94   0.0000   0.0000 41212.41  7292.94  ?   ?   312.684   29.057 0.000000 29.05729 
1 1 1  -53   15    4 o  463.186   20.723 88514.95  7793.67 69341.05 13805.96 97483.20  9442.03  397.455   43.490  484.769   23.988 -87.31439 49.66654 
1 1 1  -53   15    5 o  271.474   17.404 30404.95  3816.16 21189.48  5820.33 37353.83  5054.13  221.397   33.417  300.015   20.878 -78.61836 39.40286 
1 1 1  -53   15    6 o   55.162   11.010  1285.54  475.842  2515.43  963.762  889.081  547.188   76.899   15.958   46.256   13.639 30.64367 20.99232 
1 1 1  -53   15    7 o  520.586   28.336 114541.20 11932.63 101201.30 17179.05 126977.50 16587.09  475.243   45.057  539.791   38.089 -64.54846 58.99963 
1 1 1  -53   15    8 o  265.569   20.644 29452.01  4416.58   0.0000   0.0000 29452.01  4416.58  ?   ?   265.569   20.644 0.000000 20.64416 
1 1 1  -53   15    9 o   90.533   11.004  3400.89  792.275  1645.65  1441.15  4161.13  948.459   65.296   22.464  100.112   11.901 -34.81622 25.42141 
1 1 1  -53   15   10 o  244.101   11.301 24424.13  2239.82 23784.07  4347.28 24655.44  2613.38  236.412   22.936  244.484   13.214 -8.072296 26.46970 
1 1 1  -53   15   11 o  266.982   14.894 29640.10  3215.85 30032.67  4976.88 29358.70  4213.61  264.229   23.441  263.315   19.854 0.9144287 30.71885 
1 1 1  -53   15   12 o  111.897   7.9432  5148.14  717.009  5143.47  1752.99  5149.08  785.742  108.156   20.716  111.763   8.7278 -3.607277 22.47923 
1 1 1  -53   15   13 o   92.212   8.3181  3516.93  616.092  4674.08  1666.84  3333.82  663.046  102.320   20.772   89.562   9.2510 12.75868 22.73915 
1 1 1  -53   15   14 o   82.288   9.0464  2824.32  594.453  1027.12  1713.79  3070.13  633.803   59.109   23.622   85.784   9.2454 -26.67503 25.36664 
1 1 1  -53   15   15 o  107.316   9.0246  4796.59  779.079  6143.94  2055.38  4570.53  841.903  114.714   22.869  104.424   10.054 10.29021 24.98149 
1 1 1  -53   15   16 o  100.093   9.5481  4208.02  766.583  1720.02  2122.95  4581.06  822.047   66.502   26.382  104.375   9.8151 -37.87259 28.14830 
1 1 1  -53   15   17 o   64.607   11.703  1822.56  591.333  2482.00  1989.63  1758.66  619.318   71.350   26.195   63.146   12.521 8.203804 29.03411 
1 1 1  -53   15   18 o   33.709   13.131  348.342  517.611  121.174  1964.66  365.287  536.568   51.244   22.940   34.345   13.372 16.89823 26.55304 
1 1 1  -53   15   19 o   41.827   13.912  772.408  552.576 -71.7171  2178.42  830.456  571.260   50.473   23.200   43.103   14.137 7.370724 27.16792 
1 1 1  -53   15   20 o   32.159   13.321  240.560  568.868 -67.3980  2393.84  258.991  585.644   49.668   23.327   32.729   13.533 16.93905 26.96847 
1 1 1  -53   15   21 o   78.046   18.054  3310.00  1121.38  4749.67  2962.35  3069.19  1211.53   67.978   29.360   72.641   19.936 -4.663383 35.48915 
1 1 1  -53   15   22 o   37.644   15.983  579.871  850.436 -2946.0400  3003.39  887.218  886.727   39.008   19.708   41.376   16.828 -2.367043 25.91517 
1 1 1  -53   17    1 o  386.570   32.717 63573.65 10172.94   0.0000   0.0000 63573.65 10172.94  ?   ?   386.570   32.717 0.000000 32.71708 
1 1 1  -53   17    2 f  236.433   26.756 23611.03  5046.08   0.0000   0.0000 23611.03  5046.08  ?   ?   236.433   26.756 0.000000 26.75596 
1 1 1  -53   17    3 o  337.120   16.715 46676.01  4575.37   0.0000   0.0000 46676.01  4575.37  ?   ?   337.120   16.715 0.000000 16.71485 
1 1 1  -53   17    4 o  117.290   10.156  5651.92  957.628  7079.22  2083.72  5269.75  1078.24  129.356   20.524  112.959   11.937 16.39702 23.74281 
1 1 1  -53   17    5 o  268.936   15.485 29791.44  3367.15 19089.81  6065.96 34557.38  4048.08  207.492   37.380  289.212   17.318 -81.71997 41.19650 
1 1 1  -53   17    6 o  337.816   19.769 47422.13  5398.78 41412.31  8112.62 52199.27  7232.93  309.419   32.790  351.854   25.490 -42.43555 41.53230 
1 1 1  -53   17    7 o  222.842   15.671 20545.46  2817.51 12497.14  4432.04 26004.01  3649.97  167.419   33.768  250.091   18.097 -82.67209 38.31186 
1 1 1  -53   17    8 o  310.987   17.773 40224.54  4469.19 39341.03  6736.08 40919.27  5973.23  302.447   27.739  310.738   23.856 -8.291382 36.58632 
1 1 1  -53   17    9 o  140.094   12.381  8127.83  1393.85  5619.56  2385.10  9428.76  1717.70  112.372   26.560  150.524   14.223 -38.15199 30.12852 
1 1 1  -53   17   10 o   86.504   12.338  3143.67  842.038  3684.53  1662.56  2957.07  976.550   91.213   22.571   83.207   15.006 8.006454 27.10420 
1 1 1  -53   17   11 o  122.830   10.092  6243.95  997.625  5607.34  2016.66  6450.21  1147.92  112.117   22.926  124.512   11.484 -12.39526 25.64129 
1 1 1  -53   17   12 o   17.581   8.2155 -281.1147  290.606 -660.5103  1322.95 -261.8797  297.882   40.542   18.423   18.120   8.4170 22.42159 20.25476 
1 1 1  -53   17   13 o  150.763   8.7639  9391.10  1068.20  9592.85  2500.19  9346.05  1181.46  146.213   21.720  150.092   9.7472 -3.878937 23.80641 
1 1 1  -53   17   14 o  208.983   11.060 18266.44  1870.13 16920.66  4007.36 18641.13  2114.50  188.305   26.981  210.312   12.438 -22.00688 29.70935 
1 1 1  -53   17   15 o  126.785   9.3375  6713.74  954.485  4602.03  2481.54  7080.39  1034.03   94.210   29.316  130.008   9.8691 -35.79777 30.93220 
1 1 1  -53   17   16 o   43.035   13.401  799.403  518.461  4106.87  1898.47  532.851  538.948   89.960   25.060   37.750   13.668 52.21032 28.54479 
1 1 1  -53   17   17 o   27.334   11.938 -52.0046  501.171  273.069  1933.34 -75.4223  518.909   52.323   23.128   27.512   12.078 24.81088 26.09192 
1 1 1  -53   17   18 o  138.581   10.455  8261.17  1167.76  5838.30  3098.31  8662.33  1260.74   91.759   32.827  141.451   11.065 -49.69215 34.64152 
1 1 1  -53   17   19 f   51.873   22.603  884.994  1787.26 -706.6146  3464.95  1461.97  2086.21   54.523   26.279   57.251   24.683 -2.727554 36.05367 
1 1 1  -53   17   20 o   34.457   15.200   93.096  830.857 -2160.4360  2588.49  351.945  877.278   42.640   21.010   37.734   16.132 4.905975 26.48923 
1 1 1  -53   17   21 o   46.166   17.213  1169.22  865.144  2461.62  3026.70  1054.23  902.810   53.538   25.466   44.571   17.347 8.966484 30.81331 
1 1 1  -53   17   22 o   44.687   18.117  1311.65  1023.91  1205.17  3391.79  1322.33  1074.02   44.267   22.173   44.632   18.378 -0.3644333 28.79889 
1 1 1  -53   19    1 o  459.049   38.262 92123.88 14131.52   0.0000   0.0000 92123.88 14131.52  ?   ?   459.049   38.262 0.000000 38.26185 
1 1 1  -53   19    2 o  478.949   40.337 101214.50 15540.64   0.0000   0.0000 101214.50 15540.64  ?   ?   478.949   40.337 0.000000 40.33697 
1 1 1  -53   19    3 o  243.541   15.816 24493.08  3110.66   0.0000   0.0000 24493.08  3110.66  ?   ?   243.541   15.816 0.000000 15.81611 
1 1 1  -53   19    4 o  328.109   18.032 44626.86  4785.42 27050.02  8961.10 51639.16  5660.06  240.372   47.597  352.255   19.870 -111.8830 51.57832 
1 1 1  -53   19    5 f  228.522   14.724 21567.11  2717.60 14161.27  5129.94 24456.29  3204.15  176.826   36.922  242.944   16.338 -66.11812 40.37488 
1 1 1  -53   19    6 o  300.401   17.080 37481.12  4148.83 29266.48  7444.17 41182.33  4996.82  254.882   37.055  313.775   19.713 -58.89276 41.97236 
1 1 1  -53   19    7 o   39.647   14.280  546.866  587.236   0.0000   0.0000  546.866  587.236  ?   ?    39.647   14.280 0.000000 14.27991 
1 1 1  -53   19    8 o  125.011   12.819  6506.35  1282.78  3122.33  2395.26  7867.25  1518.97   86.002   28.969  137.330   13.809 -51.32851 32.09172 
1 1 1  -53   19    9 o  115.068   12.516  5530.72  1150.55  6600.48  2287.20  5168.32  1331.24  121.846   23.972  110.439   15.253 11.40704 28.41306 
1 1 1  -53   19   10 o  127.622   13.028  6828.40  1331.07  8328.83  2584.44  6286.71  1552.87  136.348   24.232  121.374   16.158 14.97423 29.12523 
1 1 1  -53   19   11 o  130.353   8.7473  7013.31  920.467  6185.42  2443.33  7150.23  993.677  115.096   26.667  131.468   9.3699 -16.37196 28.26531 
1 1 1  -53   19   12 o  117.963   8.2500  5748.82  785.230  7932.73  2385.51  5483.44  831.572  131.891   23.118  115.012   8.9758 16.87875 24.79962 
1 1 1  -53   19   13 o  129.676   9.5816  7002.38  1001.73  5593.49  2587.18  7250.85  1086.47  105.703   29.184  131.738   10.238 -26.03438 30.92776 
1 1 1  -53   19   14 o   57.209   11.034  1413.98  493.993  3862.79  2053.56  1263.57  508.937   88.117   26.527   53.790   11.962 34.32715 29.09966 
1 1 1  -53   19   15 o  158.502   10.154 10570.97  1299.96  7242.71  3227.31 11215.55  1420.27  112.467   33.113  162.910   10.798 -50.44308 34.82906 
1 1 1  -53   19   16 o   30.852   12.875  134.770  537.100 -2874.2500  1924.77  388.857  559.318   38.092   18.636   35.306   13.678 2.786167 23.11665 
1 1 1  -53   19   17 o   69.450   11.698  2129.69  636.243 -297.9916  2472.34  2301.86  658.418   52.961   24.477   72.303   11.608 -19.34187 27.09013 
1 1 1  -53   19   18 o   27.317   12.432 -256.1791  605.345 -781.4771  2420.07 -221.1188  625.221   48.671   23.041   28.143   12.740 20.52811 26.32829 
1 1 1  -53   19   19 o   54.892   18.422  1585.28  968.587  1232.90  2930.00  1628.51  1026.29   56.190   26.200   55.332   18.960 0.8581924 32.34084 
1 1 1  -53   19   20 o   33.771   15.373 -61.0841  926.336 -1388.8300  3102.87   68.833  970.599   45.161   22.389   35.411   15.966 9.749382 27.49862 
1 1 1  -53   19   21 o   31.042   14.152   0.2811  788.584 -1155.5610  3473.67   63.086  809.725   42.577   21.473   31.866   14.455 10.71117 25.88452 
1 1 1  -53   21    1 o  331.117   32.165 48018.05  8538.58   0.0000   0.0000 48018.05  8538.58  ?   ?   331.117   32.165 0.000000 32.16481 
1 1 1  -53   21    2 o  169.562   14.264 11919.73  1945.58   0.0000   0.0000 11919.73  1945.58  ?   ?   169.562   14.264 0.000000 14.26381 
1 1 1  -53   21    3 o  130.096   13.689  7039.94  1424.31   0.0000   0.0000  7039.94  1424.31  ?   ?   130.096   13.689 0.000000 13.68887 
1 1 1  -53   21    4 o  159.684   12.825 10552.47  1648.86  6952.63  3872.69 11349.52  1822.28  122.900   36.298  165.428   13.690 -42.52780 38.79361 
1 1 1  -53   21    5 o  113.802   12.566  5392.40  1141.75  3420.01  2731.20  5810.08  1256.83   90.336   30.931  117.994   13.353 -27.65728 33.69037 
1 1 1  -53   21    6 o   99.694   12.378  4155.33  980.431  6781.10  2305.89  3575.89  1083.22  124.063   23.756   91.714   15.070 32.34986 28.13230 
1 1 1  -53   21    7 o  182.624   15.941 14020.10  2340.14  5234.09  4226.07 17905.49  2810.34  107.688   38.358  206.104   16.943 -98.41573 41.93366 
1 1 1  -53   21    8 o   64.615   14.887  1809.53  764.967 -408.0803  2008.54  2185.78  827.318   53.025   23.499   71.140   14.804 -18.11553 27.77371 
1 1 1  -53   21    9 o   65.480   15.350  1869.69  801.932  126.054  1998.10  2204.48  875.542   56.027   24.156   71.128   15.590 -15.10162 28.74988 
1 1 1  -53   21   10 o   78.865   27.689  2714.19  2195.02  2714.19  2195.02   0.0000   0.0000   78.865   27.689  ?   ?  0.000000 27.68935 
1 1 1  -53   21   11 f  117.285   14.517  5891.12  1352.97  3274.50  2713.10  6757.21  1560.90   84.689   30.666  125.192   15.701 -40.50235 34.45130 
1 1 1  -53   21   12 o   49.768   11.168  1072.92  440.218 -1659.5129  2521.70  1158.81  447.083   51.615   24.146   51.795   10.972 -0.1802597 26.52150 
1 1 1  -53   21   13 o  157.067   10.601 10358.33  1344.04  3696.85  3844.75 11285.73  1434.55   87.024   35.167  163.852   10.844 -76.82716 36.80095 
1 1 1  -53   21   14 o   73.887   9.7459  2318.07  570.424  4039.67  2442.84  2218.78  586.642   87.193   29.255   72.075   10.319 15.11858 31.02191 
1 1 1  -53   21   15 o   83.380   10.076  2967.48  668.332  2303.45  2660.10  3012.22  690.480   70.875   29.022   83.903   10.355 -13.02763 30.81446 
1 1 1  -53   21   16 o   92.004   10.928  3666.04  800.430  3671.59  2887.25  3665.57  833.083   77.970   30.818   91.735   11.433 -13.76541 32.87051 
1 1 1  -53   21   17 o   59.379   13.540  1631.84  638.304  1670.40  2986.99  1629.99  653.397   62.816   28.192   59.198   13.841 3.618073 31.40641 
1 1 1  -53   21   18 o   50.606   18.345  1271.63  971.381 -2537.0991  3142.71  1673.94  1021.40   46.688   23.033   56.410   18.917 -9.721924 29.80540 
1 1 1  -53   21   19 o   72.979   21.358  3259.63  1346.28  4407.31  3660.99  3080.16  1447.72   63.105   29.378   68.954   22.499 -5.848606 37.00370 
1 1 1  -53   21   20 o   36.635   16.694  209.678  1096.07  3159.85  3702.69 -73.6656  1147.49   52.216   25.609   35.225   16.415 16.99164 30.41791 
1 1 1  -53   23    1 o   94.286   13.727  3748.25  1020.08   0.0000   0.0000  3748.25  1020.08  ?   ?    94.286   13.727 0.000000 13.72731 
1 1 1  -53   23    2 o  143.796   14.203  8643.58  1636.68   0.0000   0.0000  8643.58  1636.68  ?   ?   143.796   14.203 0.000000 14.20339 
1 1 1  -53   23    3 o  379.939   23.353 62175.15  7169.40   0.0000   0.0000 62175.15  7169.40  ?   ?   379.939   23.353 0.000000 23.35286 
1 1 1  -53   23    4 o  374.795   23.564 60786.43  7134.46   0.0000   0.0000 60786.43  7134.46  ?   ?   374.795   23.564 0.000000 23.56377 
1 1 1  -53   23    5 o  283.040   16.969 33770.98  3881.89 28583.43  7796.47 35480.92  4476.18  239.826   41.542  288.660   19.207 -48.83432 45.76744 
1 1 1  -53   23    6 o  248.559   16.657 26112.06  3342.29 20911.78  6655.97 27865.46  3864.90  202.553   41.854  255.470   18.763 -52.91705 45.86774 
1 1 1  -53   23    7 o   64.558   15.982  1822.21  833.278  1552.52  2370.24  1860.25  890.097   70.348   27.886   65.146   16.738 5.202209 32.52338 
1 1 1  -53   23    8 o   90.809   15.423  3562.59  1096.49 -620.2372  2858.99  4283.96  1187.28   61.218   27.520   99.881   15.112 -38.66251 31.39611 
1 1 1  -53   23    9 o   34.013   14.643 -17.2385  732.120  369.564  1954.06 -80.4029  789.638   56.591   24.132   34.607   15.052 21.98339 28.44151 
1 1 1  -53   23   10 o  141.236   15.733  8603.96  1773.59  4065.44  3586.57 10073.06  2040.56   92.050   34.892  152.346   16.774 -60.29674 38.71478 
1 1 1  -53   23   11 o   82.795   17.180  3070.93  1117.12  2687.04  2823.79  3142.16  1216.35   78.746   30.670   83.235   18.479 -4.489136 35.80714 
1 1 1  -53   23   12 o  190.071   10.165 15124.04  1563.05 15809.33  4392.79 15024.70  1672.51  172.859   32.490  188.990   10.946 -16.13116 34.28453 
1 1 1  -53   23   13 o  191.418   10.078 15400.60  1560.87 16509.14  4372.25 15238.69  1670.97  174.205   32.093  189.871   10.884 -15.66611 33.88830 
1 1 1  -53   23   14 o   54.320   11.712  1303.52  501.361  5139.99  3171.06  1205.16  507.747   91.446   33.147   52.052   12.222 39.39410 35.32818 
1 1 1  -53   23   15 o   37.487   12.598  589.862  453.007 -516.2392  3277.64  611.402  457.397   57.995   27.256   38.008   12.658 19.98640 30.05239 
1 1 1  -53   23   16 o  135.935   18.492  9016.13  1988.08  7662.77  4513.07  9341.99  2214.53   89.506   37.334  135.572   20.780 -46.06563 42.72728 
1 1 1  -53   23   17 o  138.592   18.872  9820.94  2068.48  7558.25  5290.66 10229.21  2247.36   76.578   35.538  138.981   20.533 -62.40308 41.04321 
1 1 1  -53   23   18 o   50.335   19.522  1372.55  1140.33  3234.16  4194.17  1223.95  1184.97   59.553   28.756   48.717   19.581 10.83543 34.78953 
1 1 1  -53   23   19 o   70.077   21.244  3279.67  1313.71 -2907.5779  4743.43  3793.67  1367.19   45.159   23.013   76.005   21.300 -30.84622 31.35702 
1 1 1  -53   25    1 o  157.599   15.513 10486.76  1959.34   0.0000   0.0000 10486.76  1959.34  ?   ?   157.599   15.513 0.000000 15.51259 
1 1 1  -53   25    2 o  185.671   16.996 14638.71  2533.80   0.0000   0.0000 14638.71  2533.80  ?   ?   185.671   16.996 0.000000 16.99558 
1 1 1  -53   25    3 o  151.555   15.228  9710.74  1848.57   0.0000   0.0000  9710.74  1848.57  ?   ?   151.555   15.228 0.000000 15.22797 
1 1 1  -53   25    4 o  115.961   15.124  5726.06  1390.15   0.0000   0.0000  5726.06  1390.15  ?   ?   115.961   15.124 0.000000 15.12437 
1 1 1  -53   25    5 o   75.055   15.878  2458.89  937.463   0.0000   0.0000  2458.89  937.463  ?   ?    75.055   15.878 0.000000 15.87844 
1 1 1  -53   25    6 o  232.994   16.233 23116.51  3051.79 24399.27  6648.00 22774.03  3435.11  217.508   39.079  229.614   18.584 -12.10611 43.27276 
1 1 1  -53   25    7 o  178.279   15.738 13583.67  2254.76  6051.27  5261.97 15277.78  2495.47  107.923   41.914  188.712   16.451 -80.78954 45.02652 
1 1 1  -53   25    8 o  238.657   18.451 24848.06  3547.65 17551.36  7019.54 27351.19  4111.37  165.921   48.830  248.395   20.570 -82.47395 52.98603 
1 1 1  -53   25    9 o   47.790   17.198  873.647  851.558  1564.06  2918.15  809.383  890.308   71.940   30.015   47.270   17.494 24.66970 34.74087 
1 1 1  -53   25   10 o   63.476   19.457  1825.27  1097.78 -1046.8630  3031.44  2258.77  1177.72   58.797   27.150   69.993   19.823 -11.19565 33.61631 
1 1 1  -53   25   11 o   51.576   19.109  1032.05  1062.84 -2769.3789  3170.05  1513.48  1128.13   53.258   25.531   58.576   19.880 -5.318825 32.35787 
1 1 1  -53   25   12 o  105.670   17.977  5123.43  1487.16  2841.32  3924.97  5505.98  1606.98   78.917   33.940  109.035   18.832 -30.11831 38.81475 
1 1 1  -53   25   13 o   35.659   11.291  539.593  366.468  1262.55  3072.22  529.157  369.103   65.859   29.131   35.413   11.344 30.44542 31.26159 
1 1 1  -53   25   14 o   40.420   11.939  723.846  418.930 -314.1008  3302.96  740.816  422.341   58.479   27.445   40.850   11.965 17.62857 29.93934 
1 1 1  -53   25   15 o   49.863   19.796  1028.09  1196.19  2537.23  3582.68  838.744  1269.01   67.514   30.535   48.438   19.965 19.07522 36.48250 
1 1 1  -53   25   16 o   40.918   18.118  212.493  1191.51  3085.35  3944.81 -75.9124  1249.89   64.991   30.336   39.470   17.925 25.52083 35.23584 
1 1 1  -53   25   17 o  ?   ?  -3643.1831  949.581 -1926.1851  4754.73 -3714.5110  969.104   50.766   25.541  ?   ?  0.000000 25.54088 
1 1 1  -53   25   18 o   52.155   21.281  1869.13  1424.01  605.546  5027.83  1979.33  1484.80   49.448   25.042   52.928   21.679 -3.480022 33.12227 
1 1 1  -53   27    1 o   52.542   18.058  1103.17  931.169   0.0000   0.0000  1103.17  931.169  ?   ?    52.542   18.058 0.000000 18.05778 
1 1 1  -53   27    2 o  207.543   18.327 18597.59  3056.65   0.0000   0.0000 18597.59  3056.65  ?   ?   207.543   18.327 0.000000 18.32666 
1 1 1  -53   27    3 o   67.887   18.357  2049.43  1036.15   0.0000   0.0000  2049.43  1036.15  ?   ?    67.887   18.357 0.000000 18.35660 
1 1 1  -53   27    4 o   75.981   17.844  2572.53  1082.12   0.0000   0.0000  2572.53  1082.12  ?   ?    75.981   17.844 0.000000 17.84424 
1 1 1  -53   27    5 o  186.573   17.651 15108.86  2642.20   0.0000   0.0000 15108.86  2642.20  ?   ?   186.573   17.651 0.000000 17.65100 
1 1 1  -53   27    6 o  174.657   16.441 13190.76  2304.16 10404.16  6067.18 13660.41  2490.77  128.021   45.922  177.016   17.561 -48.99477 49.16540 
1 1 1  -53   27    7 o  231.207   17.590 23363.43  3277.41 19621.77  7459.25 24258.57  3648.44  168.783   50.500  233.860   19.389 -65.07655 54.09452 
1 1 1  -53   27    8 o  101.785   34.759  5718.63  3449.07  7350.38  4212.45  2399.68  6007.69  111.473   38.402   87.917   39.672 23.55597 55.21414 
1 1 1  -53   27    9 f   55.141   19.070  1297.76  1039.25  3666.40  3661.70  1090.24  1083.81   85.539   34.406   52.600   19.330 32.93906 39.46463 
1 1 1  -53   27   10 o   45.274   18.471  519.767  1072.56  2211.23  3928.50  383.529  1114.92   76.693   33.462   44.430   18.546 32.26237 38.25771 
1 1 1  -53   27   11 o   21.887   10.972 -2274.2410  838.792  540.775  2722.54 -2569.4690  881.680   60.886   27.149   21.838   10.988 39.04801 29.28843 
1 1 1  -53   27   12 o   73.196   21.691  2708.32  1381.08  4634.67  3621.16  2380.42  1494.01   84.241   34.099   68.506   22.879 15.73553 41.06325 
1 1 1  -53   27   13 o   83.274   21.550  3598.74  1468.31 -1327.7371  4957.47  4072.46  1537.29   62.360   30.378   88.790   21.543 -26.42992 37.24092 
1 1 1  -53   27   14 o   52.056   20.694  1207.87  1308.72 12529.75  4923.79  347.202  1357.56  107.812   40.879   44.634   19.567 63.17783 45.32050 
1 1 1  -53   27   15 o   34.239   16.081 -613.7537  1137.75  961.659  4298.03 -732.4682  1179.84   58.321   28.382   34.183   16.153 24.13744 32.65723 
1 1 1  -53   27   16 o   45.859   19.815  891.518  1350.30 -4231.8750  4862.85  1319.56  1405.58   47.650   24.184   49.721   20.795 -2.071686 31.89518 
1 1 1  -53   27   17 o   31.198   15.220 -1164.2111  1257.84 -1441.9070  4992.15 -1145.3860  1299.77   46.803   23.828   31.781   15.498 15.02142 28.42413 
1 1 1  -53   29    1 o   75.002   20.499  2568.28  1284.00   0.0000   0.0000  2568.28  1284.00  ?   ?    75.002   20.499 0.000000 20.49904 
1 1 1  -53   29    2 o  143.497   18.958  9121.17  2154.77   0.0000   0.0000  9121.17  2154.77  ?   ?   143.497   18.958 0.000000 18.95768 
1 1 1  -53   29    3 o  159.292   18.198 11173.43  2311.45   0.0000   0.0000 11173.43  2311.45  ?   ?   159.292   18.198 0.000000 18.19781 
1 1 1  -53   29    4 o  151.524   18.469 10179.94  2225.25   0.0000   0.0000 10179.94  2225.25  ?   ?   151.524   18.469 0.000000 18.46887 
1 1 1  -53   29    5 o   89.533   19.731  3684.81  1395.71   0.0000   0.0000  3684.81  1395.71  ?   ?    89.533   19.731 0.000000 19.73072 
1 1 1  -53   29    6 o  169.303   17.918 12751.07  2425.66 12070.96  7513.22 12830.21  2562.91  122.332   49.257  168.926   19.016 -46.59483 52.79971 
1 1 1  -53   29    7 o   75.650   33.959  1306.59  4336.74 -1435.3300  5528.15  5694.17  6993.04   72.696   34.532   96.684   43.282 -23.98811 55.36954 
1 1 1  -53   29    8 o  214.935   18.267 20902.98  3157.77 19156.39  7861.52 21238.99  3448.16  143.036   52.138  214.485   20.031 -71.44821 55.85327 
1 1 1  -53   29    9 o   98.951   19.524  4632.50  1512.94  6908.41  5317.93  4432.06  1578.16   96.407   40.395   95.763   20.884 0.6435394 45.47404 
1 1 1  -53   29   10 o   78.426   20.597  3041.61  1328.45  4721.65  5324.62  2930.09  1371.83   83.973   37.667   76.533   21.296 7.440407 43.27049 
1 1 1  -53   29   11 o   62.043   22.157  1915.02  1410.90 -2066.0181  5773.00  2167.91  1455.02   64.637   31.756   65.087   22.561 -0.4497910 38.95446 
1 1 1  -53   29   12 o   83.187   23.975  3891.74  1708.02  4797.13  5943.15  3810.23  1783.25   75.244   35.761   81.378   24.770 -6.134331 43.50125 
1 1 1  -53   29   13 o   61.057   22.175  2080.88  1420.18  596.276  4945.62  2214.30  1482.62   60.894   29.808   62.418   22.659 -1.524223 37.44271 
1 1 1  -53   29   14 o  115.562   23.768  8011.42  2155.81 10063.27  6754.86  7778.72  2274.77   70.960   34.757  110.080   25.885 -39.11948 43.33731 
1 1 1  -53   29   15 o   91.185   25.814  5993.90  1997.63  1445.76  6675.51  6441.23  2093.56   54.162   27.572   93.710   26.391 -39.54785 38.16708 
1 1 1  -53   31    1 o  178.609   21.348 14685.56  3034.60   0.0000   0.0000 14685.56  3034.60  ?   ?   178.609   21.348 0.000000 21.34780 
1 1 1  -53   31    2 o   32.983   15.311 -715.0087  982.908   0.0000   0.0000 -715.0087  982.908  ?   ?    32.983   15.311 0.000000 15.31050 
1 1 1  -53   31    3 o  199.570   21.023 18379.35  3355.43   0.0000   0.0000 18379.35  3355.43  ?   ?   199.570   21.023 0.000000 21.02307 
1 1 1  -53   31    4 o  137.277   20.132  8715.59  2177.34   0.0000   0.0000  8715.59  2177.34  ?   ?   137.277   20.132 0.000000 20.13217 
1 1 1  -53   31    5 o   68.492   33.103 -2755.6831  5590.96   0.0000   0.0000 -2755.6831  5590.96  ?   ?    68.492   33.103 0.000000 33.10332 
1 1 1  -53   31    6 o  119.702   20.240  6769.37  1897.07   0.0000   0.0000  6769.37  1897.07  ?   ?   119.702   20.240 0.000000 20.23997 
1 1 1  -53   31    7 o  133.789   20.312  8534.01  2137.20  7823.19  8783.41  8578.74  2203.42   92.359   43.772  133.460   21.029 -41.10122 48.56168 
1 1 1  -53   31    8 o   64.154   21.869  2031.11  1365.24 11278.15  6817.50  1644.79  1393.46  102.059   44.310   59.495   21.910 42.56395 49.43070 
1 1 1  -53   31    9 o   45.863   19.100  584.217  1178.62 -6885.1938  6236.33  860.892  1200.25   58.944   29.600   48.919   19.691 10.02493 35.55136 
1 1 1  -53   31   10 o   91.136   23.091  4525.59  1710.81 -822.0507  7224.35  4843.30  1760.90   66.564   33.190   94.365   23.155 -27.80074 40.46925 
1 1 1  -53   31   11 o   72.188   23.783  3079.71  1616.17 -8244.5557  7361.00  3653.25  1656.59   56.252   28.666   78.798   23.849 -22.54605 37.28954 
1 1 1  -53   31   12 o   52.724   21.337  1427.63  1417.50  2566.47  7945.49  1390.19  1440.61   62.425   31.599   52.423   21.400 10.00241 38.16348 
1 1 1  -53   31   13 o   35.718   16.888 -561.4927  1292.90 -1382.4871  7340.35 -535.2068  1313.44   54.364   27.781   36.106   17.056 18.25798 32.59947 
1 1 1  -53   33    1 o  113.942   26.546  6820.37  2410.33   0.0000   0.0000  6820.37  2410.33  ?   ?   113.942   26.546 0.000000 26.54563 
1 1 1  -53   33    2 o   85.449   25.656  3862.04  1922.77   0.0000   0.0000  3862.04  1922.77  ?   ?    85.449   25.656 0.000000 25.65617 
1 1 1  -53   33    3 f  163.280   23.368 13279.63  3009.74   0.0000   0.0000 13279.63  3009.74  ?   ?   163.280   23.368 0.000000 23.36805 
1 1 1  -53   33    4 f   75.916   35.308  2361.43  5268.20   0.0000   0.0000  2361.43  5268.20  ?   ?    75.916   35.308 0.000000 35.30843 
1 1 1  -53   33    5 o   97.015   23.303  4894.83  1812.66   0.0000   0.0000  4894.83  1812.66  ?   ?    97.015   23.303 0.000000 23.30317 
1 1 1  -53   33    6 o  134.947   23.415  9469.28  2472.60   0.0000   0.0000  9469.28  2472.60  ?   ?   134.947   23.415 0.000000 23.41481 
1 1 1  -53   33    7 o  148.698   23.535 11735.85  2746.92   0.0000   0.0000 11735.85  2746.92  ?   ?   148.698   23.535 0.000000 23.53460 
1 1 1  -53   33    8 o  106.482   24.917  6476.37  2116.16  865.255 11434.68  6675.36  2153.36   69.364   35.381  108.023   25.039 -38.65929 43.34495 
1 1 1  -53   33    9 o   36.267   17.044 -687.2899  1281.37  9322.01  9171.63 -886.5494  1294.06   72.335   36.265   35.374   16.776 36.96083 39.95707 
1 1 1  -53   33   10 o  116.375   24.662  8219.02  2257.98  8536.30 10314.43  8203.05  2314.11   65.746   33.542  114.838   25.483 -49.09126 42.12463 
1 1 1  -53   33   11 o  143.555   29.633 15085.06  3339.58  233.343 10705.93 16685.98  3514.97   56.915   29.323  151.047   29.718 -94.13169 41.74957 
1 1 1  -53   35    1 o   66.987   32.610  416.740  5687.23   0.0000   0.0000  416.740  5687.23  ?   ?    66.987   32.610 0.000000 32.61044 
1 1 1  -53   35    2 o   43.318   19.741 -212.3393  1532.90   0.0000   0.0000 -212.3393  1532.90  ?   ?    43.318   19.741 0.000000 19.74123 
1 1 1  -53   35    3 o   64.987   24.818  2338.25  1823.00   0.0000   0.0000  2338.25  1823.00  ?   ?    64.987   24.818 0.000000 24.81807 
1 1 1  -53   35    4 o   70.673   25.764  3015.96  1919.85   0.0000   0.0000  3015.96  1919.85  ?   ?    70.673   25.764 0.000000 25.76447 
1 1 1  -53   35    5 o   55.678   22.650  1506.00  1606.85   0.0000   0.0000  1506.00  1606.85  ?   ?    55.678   22.650 0.000000 22.64999 
1 1 1  -53   35    6 o   92.650   26.543  5495.07  2099.14   0.0000   0.0000  5495.07  2099.14  ?   ?    92.650   26.543 0.000000 26.54257 
1 1 1  -53   35    7 o   73.884   25.482  3661.43  1855.09   0.0000   0.0000  3661.43  1855.09  ?   ?    73.884   25.482 0.000000 25.48239 
1 1 1  -53   35    8 o  112.716   29.056  9226.82  2676.17 11720.39 16855.35  9162.34  2710.56   61.505   31.889  111.112   29.537 -49.60657 43.46625 
1 1 1  -52    0    1 o  202.571   20.280 17224.13  3259.03   0.0000   0.0000 17224.13  3259.03  202.571   20.280  202.571   20.280 -0.000000 0.000000 
1 1 1  -52    0    2 o  185.302   20.382 14496.58  2972.02   0.0000   0.0000 14496.58  2972.02  185.302   20.382  185.302   20.382 -0.000000 0.000000 
1 1 1  -52    0    4 o   99.767   10.413  4176.00  822.482   0.0000   0.0000  4176.00  822.482   99.767   10.413   99.767   10.413 -0.000000 0.000000 
1 1 1  -52    0    6 o  563.338   39.953 133099.30 18063.76 133099.30 18063.76   0.0000   0.0000  563.338   39.953  563.338   39.953 0.000000 0.000000 
1 1 1  -52    0    7 o  180.008   15.263 13472.84  2193.98 13472.84  2193.98   0.0000   0.0000  180.008   15.263  180.008   15.263 0.000000 0.000000 
1 1 1  -52    0    8 o  598.773   42.720 151142.50 20526.87 151142.50 20526.87   0.0000   0.0000  598.773   42.720  598.773   42.720 0.000000 0.000000 
1 1 1  -52    0    9 o   18.540   12.104 -53.6886  446.236   0.0000   0.0000 -53.6886  446.236   18.540   12.104   18.540   12.104 -0.000000 0.000000 
1 1 1  -52    0   10 o  548.122   39.371 126684.80 17314.55 126684.80 17314.55   0.0000   0.0000  548.122   39.371  548.122   39.371 0.000000 0.000000 
1 1 1  -52    0   11 o  420.925   30.689 74192.52 10360.73   0.0000   0.0000 74192.52 10360.73  420.925   30.689  420.925   30.689 -0.000000 0.000000 
1 1 1  -52    0   12 o  108.780   16.125  5131.33  1332.26   0.0000   0.0000  5131.33  1332.26  108.780   16.125  108.780   16.125 -0.000000 0.000000 
1 1 1  -52    0   13 o  272.557   21.618 31020.09  4715.02 31020.09  4715.02   0.0000   0.0000  272.557   21.618  272.557   21.618 0.000000 0.000000 
1 1 1  -52    0   14 o  215.470   18.982 19455.39  3261.67   0.0000   0.0000 19455.39  3261.67  215.470   18.982  215.470   18.982 -0.000000 0.000000 
1 1 1  -52    0   15 o   31.989   19.112  446.384  879.787   0.0000   0.0000  446.384  879.787   31.989   19.112   31.989   19.112 -0.000000 0.000000 
1 1 1  -52    0   16 o   58.342   23.162  1939.35  1058.64   0.0000   0.0000  1939.35  1058.64   58.342   23.162   58.342   23.162 -0.000000 0.000000 
1 1 1  -52    0   17 o   54.075   24.757  1779.19  1185.88  1779.19  1185.88   0.0000   0.0000   54.075   24.757   54.075   24.757 0.000000 0.000000 
1 1 1  -52    0   18 o   37.876   22.049  751.576  1119.02   0.0000   0.0000  751.576  1119.02   37.876   22.049   37.876   22.049 -0.000000 0.000000 
1 1 1  -52    0   19 o   24.945   16.548 -204.0904  886.997 -204.0904  886.997   0.0000   0.0000   24.945   16.548   24.945   16.548 0.000000 0.000000 
1 1 1  -52    0   20 o   74.112   26.040  3060.27  1421.21   0.0000   0.0000  3060.27  1421.21   74.112   26.040   74.112   26.040 -0.000000 0.000000 
1 1 1  -52    0   21 o   93.764   28.639  4738.91  1904.92   0.0000   0.0000  4738.91  1904.92   93.764   28.639   93.764   28.639 -0.000000 0.000000 
1 1 1  -52    0   22 o   25.619   17.662 -784.8171  1223.12 -784.8171  1223.12   0.0000   0.0000   25.619   17.662   25.619   17.662 0.000000 0.000000 
1 1 1  -52    0   23 o   30.945   21.158 -696.7926  1674.02 -696.7926  1674.02   0.0000   0.0000   30.945   21.158   30.945   21.158 0.000000 0.000000 
1 1 1  -52    2    1 o  388.199   20.878 61884.66  6556.64 61565.04  9258.09 62206.29  9286.97  384.925   29.855  386.956   29.787 -2.031250 42.17322 
1 1 1  -52    2    2 f  174.549   10.549 12442.40  1488.06 13601.12  1726.36  9092.72  2935.24  182.405   11.718  146.630   25.584 35.77496 28.14020 
1 1 1  -52    2    3 o  135.169   11.858  7496.41  1288.34  7496.41  1288.34   0.0000   0.0000  135.169   11.858  ?   ?  0.000000 11.85846 
1 1 1  -52    2    4 o  513.337   36.390 110653.90 15069.39 110653.90 15069.39   0.0000   0.0000  513.337   36.390  ?   ?  0.000000 36.38970 
1 1 1  -52    2    5 o  494.702   23.728 100689.80  9530.98 109547.40 13532.03 91970.07 13426.29  511.996   32.722  467.702   35.623 44.29407 48.37016 
1 1 1  -52    2    6 o  545.349   26.289 122884.80 11640.90 131948.09 16517.06 113939.80 16408.90  559.503   36.558  518.284   39.284 41.21857 53.66313 
1 1 1  -52    2    7 o   40.357   10.572  687.522  350.552  874.496  577.838  578.633  440.967   46.231   14.106   38.310   12.412 7.921307 18.78966 
1 1 1  -52    2    8 o  463.865   22.938 88777.22  8639.59 89294.71 12258.94 88266.55 12177.91  460.223   33.025  457.568   32.999 2.654907 46.68622 
1 1 1  -52    2    9 o  346.663   17.710 49442.87  4968.24 49501.93  7063.60 49385.05  6989.28  344.475   25.434  344.155   25.186 0.3192749 35.79438 
1 1 1  -52    2   10 o  375.202   27.681 59156.94  8373.50 59156.94  8373.50   0.0000   0.0000  375.202   27.681  ?   ?  0.000000 27.68098 
1 1 1  -52    2   11 o  154.272   9.7652  9741.98  1216.92  9145.63  1876.62 10174.71  1598.58  148.449   15.812  157.252   12.626 -8.803436 20.23504 
1 1 1  -52    2   12 o  318.680   15.881 41770.02  4109.30 45454.88  5965.79 38443.30  5668.45  329.631   22.423  302.691   23.241 26.94009 32.29436 
1 1 1  -52    2   13 o  106.922   8.9419  4696.30  769.185  3172.58  1320.90  5478.10  946.156   85.771   19.418  115.349   10.207 -29.57811 21.93788 
1 1 1  -52    2   14 o  122.517   9.2550  6168.84  913.886  7137.52  1588.48  5689.58  1117.32  130.571   15.271  117.151   11.912 13.42020 19.36765 
1 1 1  -52    2   15 o  171.214   10.991 12102.75  1519.89 10705.84  2395.34 13044.22  1966.47  158.354   19.009  176.949   13.796 -18.59541 23.48788 
1 1 1  -52    2   16 o  183.603   9.3027 13898.45  1382.32 13575.02  1732.30 14465.39  2293.54  180.580   11.881  184.902   15.417 -4.321793 19.46386 
1 1 1  -52    2   17 o   49.814   7.9233  1044.40  309.744  868.924  421.821  1249.72  456.295   44.828   11.525   53.947   10.794 -9.119335 15.79020 
1 1 1  -52    2   18 o  107.992   7.1618  4817.06  624.424  4940.63  813.449  4639.77  974.295  108.745   9.3021  104.513   11.681 4.232346 14.93220 
1 1 1  -52    2   19 o   33.966   9.6592  495.238  279.040  599.254  346.410  303.031  470.896   37.287   10.812   32.279   12.538 5.008495 16.55566 
1 1 1  -52    2   20 o   32.619   9.5834  457.088  270.580  569.268  381.563  343.611  383.762   36.514   11.516   31.158   11.495 5.356379 16.27119 
1 1 1  -52    2   21 o   86.100   7.3057  3114.32  505.924  3844.34  673.750  2170.50  766.079   95.019   8.8339   68.571   14.226 26.44836 16.74525 
1 1 1  -52    2   22 o   29.869   14.468 -1318.9700  1082.80 -1318.9700  1082.80   0.0000   0.0000   29.869   14.468  ?   ?  0.000000 14.46820 
1 1 1  -52    2   23 o   41.671   9.5865  792.404  317.617  934.025  445.062  645.420  453.412   44.195   12.064   37.347   12.604 6.848545 17.44703 
1 1 1  -52    2   24 o   53.390   9.4283  1319.15  393.779  1210.36  589.580  1406.76  529.094   47.501   14.194   52.781   12.533 -5.280369 18.93533 
1 1 1  -52    4    1 o  116.670   6.8324  5550.35  644.427  4204.63  712.673 11584.52  1509.11  101.313   8.7492  168.346   11.103 -67.03329 14.13564 
1 1 1  -52    4    2 o  426.265   20.152 74396.27  6974.93 79488.57  8448.48 63495.74 12360.76  439.268   23.776  387.228   39.884 52.03989 46.43287 
1 1 1  -52    4    3 o  302.155   22.223 37660.21  5413.89 37660.21  5413.89   0.0000   0.0000  302.155   22.223  ?   ?  0.000000 22.22284 
1 1 1  -52    4    4 o  521.566   37.200 114466.80 15650.72 114466.80 15650.72   0.0000   0.0000  521.566   37.200  ?   ?  0.000000 37.20008 
1 1 1  -52    4    5 o  328.999   24.126 44797.46  6400.04 44797.46  6400.04   0.0000   0.0000  328.999   24.126  ?   ?  0.000000 24.12622 
1 1 1  -52    4    6 o  372.400   27.095 57675.50  8136.63 57675.50  8136.63   0.0000   0.0000  372.400   27.095  ?   ?  0.000000 27.09471 
1 1 1  -52    4    8 o  352.308   26.026 51735.97  7392.25 51735.97  7392.25   0.0000   0.0000  352.308   26.026  ?   ?  0.000000 26.02565 
1 1 1  -52    4    9 o  485.704   23.872 97715.61  9414.39 99449.45 13433.74 96042.26 13197.32  483.778   34.424  475.382   34.423 8.396118 48.68221 
1 1 1  -52    4   10 f  299.832   14.612 36811.25  3557.33 43114.98  5166.51 31128.84  4905.29  322.762   19.810  273.327   22.297 49.43555 29.82586 
1 1 1  -52    4   11 o  372.678   18.994 57464.34  5728.46 59610.84  8163.94 55382.50  8040.01  376.097   26.912  362.130   27.550 13.96643 38.51295 
1 1 1  -52    4   12 o  308.395   13.055 38962.59  3269.10 38631.25  5799.61 39116.88  3957.76  303.103   23.755  307.948   15.882 -4.845428 28.57558 
1 1 1  -52    4   13 o  253.661   11.111 26328.31  2288.56 25592.87  4108.05 26659.28  2755.81  246.935   20.679  254.463   13.385 -7.527390 24.63292 
1 1 1  -52    4   14 o  173.317   8.8812 12305.39  1245.64 11685.74  2371.32 12541.53  1463.87  166.643   17.801  174.696   10.366 -8.052933 20.59923 
1 1 1  -52    4   15 o  237.745   10.844 23252.94  2093.30 23369.67  3808.04 23202.39  2505.87  233.796   20.260  236.433   13.104 -2.636063 24.12865 
1 1 1  -52    4   16 o   66.174   8.7912  1829.82  460.672  1609.72  1251.36  1864.32  495.467   62.151   20.938   66.671   9.4144 -4.520142 22.95745 
1 1 1  -52    4   17 o   35.713   10.386  540.427  319.241 -337.9000  923.512  659.627  340.214   34.958   15.684   39.184   10.486 -4.225483 18.86635 
1 1 1  -52    4   18 o   49.301   11.754  1061.63  463.896  1861.10  1120.73  896.331  509.601   63.969   19.667   45.402   13.099 18.56639 23.63009 
1 1 1  -52    4   19 o   99.967   9.2566  4204.88  742.834  2521.24  1718.43  4591.79  823.778   71.867   24.535  104.265   9.8470 -32.39851 26.43739 
1 1 1  -52    4   20 o   58.287   8.0119  1440.48  369.151  1302.63  513.591  1587.82  530.957   54.079   12.009   60.104   11.294 -6.024986 16.48570 
1 1 1  -52    4   21 o   92.675   9.6689  3696.00  716.862  4846.11  1862.21  3495.91  776.719   93.623   24.289   89.424   10.924 4.198708 26.63254 
1 1 1  -52    4   22 o  137.368   8.0023  8034.49  888.694  8839.43  1234.50  7168.64  1280.36  141.434   10.832  125.369   12.755 16.06409 16.73427 
1 1 1  -52    4   23 o   52.802   8.5106  1235.73  352.474  1132.18  459.970  1383.04  548.610   48.765   11.755   53.329   12.826 -4.564816 17.39786 
1 1 1  -52    4   24 o  100.382   8.3423  4504.24  673.788  4317.61  894.257  4749.33  1024.79   93.916   12.001   96.562   13.434 -2.646622 18.01430 
1 1 1  -52    6    2 o  265.126   15.917 28796.96  3410.56 28796.96  3410.56   0.0000   0.0000  265.126   15.917  ?   ?  0.000000 15.91658 
1 1 1  -52    6    3 o  380.661   27.634 60148.16  8482.90 60148.16  8482.90   0.0000   0.0000  380.661   27.634  ?   ?  0.000000 27.63363 
1 1 1  -52    6    4 o  393.559   28.539 64424.52  9057.81 64424.52  9057.81   0.0000   0.0000  393.559   28.539  ?   ?  0.000000 28.53887 
1 1 1  -52    6    5 o  386.784   28.136 62268.78  8775.78 62268.78  8775.78   0.0000   0.0000  386.784   28.136  ?   ?  0.000000 28.13620 
1 1 1  -52    6    6 o  209.540   17.125 18086.17  2888.16 18086.17  2888.16   0.0000   0.0000  209.540   17.125  ?   ?  0.000000 17.12491 
1 1 1  -52    6    7 o  308.524   15.844 39035.93  3955.69 38978.55  5708.30 39088.94  5486.65  306.578   23.101  307.276   22.139 -0.6985779 31.99681 
1 1 1  -52    6    8 f  185.371   8.4561 13983.76  1272.77 15098.37  2365.51 13529.61  1509.97  191.498   15.342  181.948   10.263 9.550278 18.45814 
1 1 1  -52    6    9 o  361.455   14.416 53451.69  4230.92 60043.51  7478.63 50348.86  5130.96  379.664   24.389  349.574   18.139 30.08978 30.39462 
1 1 1  -52    6   10 o  192.540   8.9680 15101.47  1402.03 15325.43  2602.33 15009.88  1664.20  192.440   16.823  191.518   10.745 0.9220276 19.96220 
1 1 1  -52    6   11 o   85.082   9.8825  2991.91  670.001  3594.91  1126.98  2662.28  833.242   92.338   15.586   79.582   13.369 12.75595 20.53441 
1 1 1  -52    6   12 o  299.029   12.161 36602.06  2952.67 48050.80  5279.62 31391.53  3561.76  340.039   19.201  275.666   15.981 64.37216 24.98128 
1 1 1  -52    6   13 o  224.730   10.254 20650.18  1871.04 21256.61  3407.89 20388.49  2238.62  225.403   18.792  222.594   12.436 2.809479 22.53370 
1 1 1  -52    6   14 o  245.495   11.026 24731.67  2197.84 26780.86  4009.36 23851.36  2627.86  251.814   19.768  240.076   13.536 11.73811 23.95812 
1 1 1  -52    6   15 o  266.461   11.757 29319.59  2543.82 31458.90  4607.65 28381.64  3050.93  270.269   21.165  260.667   14.472 9.602386 25.63995 
1 1 1  -52    6   16 o  225.483   10.644 21037.62  1948.72 21450.40  3585.61 20864.58  2321.50  221.638   20.144  223.251   12.861 -1.612488 23.89966 
1 1 1  -52    6   17 o  101.853   8.5842  4308.39  703.308  2563.96  1575.94  4742.22  785.912   74.576   23.387  106.731   9.1574 -32.15496 25.11632 
1 1 1  -52    6   18 o   72.723   9.8230  2240.55  565.196  641.658  1255.32  2647.09  632.984   49.312   20.035   79.060   10.091 -29.74862 22.43291 
1 1 1  -52    6   19 o   57.686   12.447  1471.78  565.912  1275.37  1471.78  1505.86  613.042   57.108   22.170   58.101   13.284 -0.9928131 25.84539 
1 1 1  -52    6   20 o   28.033   11.614  125.268  432.579 -207.7374  1434.08  158.600  453.713   43.096   19.421   29.111   11.961 13.98492 22.80861 
1 1 1  -52    6   21 o   29.502   11.956  208.743  445.736 -2360.8850  1554.02  439.099  465.286   33.617   16.508   34.152   12.645 -0.5347557 20.79437 
1 1 1  -52    6   22 o   62.724   11.763  1803.75  577.067  2734.60  1599.79  1664.51  618.722   66.640   23.615   59.364   13.180 7.275921 27.04398 
1 1 1  -52    6   23 o   65.988   14.052  2175.21  729.815  1652.11  2093.31  2247.59  778.672   51.919   23.424   66.398   14.819 -14.47933 27.71795 
1 1 1  -52    6   24 o   36.044   13.384  644.764  522.015   0.0000   0.0000  644.764  522.015  ?   ?    36.044   13.384 0.000000 13.38431 
1 1 1  -52    8    2 o  514.622   38.879 111852.80 16125.85   0.0000   0.0000 111852.80 16125.85  ?   ?   514.622   38.879 0.000000 38.87872 
1 1 1  -52    8    3 o  343.083   18.096 48295.83  5023.29 45358.40  6708.24 52045.56  7579.24  330.816   25.162  354.093   26.555 -23.27731 36.58291 
1 1 1  -52    8    4 o  342.046   25.205 48514.80  6950.88 48514.80  6950.88   0.0000   0.0000  342.046   25.205  ?   ?  0.000000 25.20506 
1 1 1  -52    8    5 o  660.551   48.173 189095.41 25659.39 189095.41 25659.39   0.0000   0.0000  660.551   48.173  ?   ?  0.000000 48.17326 
1 1 1  -52    8    6 o  650.798   47.661 184162.00 25010.22 184162.00 25010.22   0.0000   0.0000  650.798   47.661  ?   ?  0.000000 47.66108 
1 1 1  -52    8    7 o  299.763   15.299 36847.75  3711.34 38263.66  5357.73 35541.57  5145.92  303.935   21.856  292.887   21.794 11.04785 30.86556 
1 1 1  -52    8    8 o  305.917   15.451 38410.21  3825.41   0.0000   0.0000 38410.21  3825.41  ?   ?   305.917   15.451 0.000000 15.45055 
1 1 1  -52    8    9 o  408.533   16.592 68496.97  5503.74 67922.14  9695.13 68770.30  6685.39  400.942   29.998  408.298   20.166 -7.355438 36.14595 
1 1 1  -52    8   10 o   25.545   9.1518  224.244  240.898  1480.25  767.919   87.151  253.704   59.030   15.735   22.396   9.0395 36.63442 18.14691 
1 1 1  -52    8   11 o  440.398   17.957 80040.02  6421.31 79218.41 11277.63 80434.16  7811.14  429.174   32.607  439.757   21.876 -10.58286 39.26497 
1 1 1  -52    8   12 o  252.430   10.799 26051.34  2213.35 32060.41  4023.75 23444.28  2650.35  277.791   17.935  238.570   13.740 39.22113 22.59323 
1 1 1  -52    8   13 o   82.987   8.2205  2837.25  546.628  1314.69  1259.59  3190.54  606.740   59.390   20.964   87.992   8.6022 -28.60188 22.66037 
1 1 1  -52    8   14 f  330.423   14.048 45207.17  3768.96 47993.74  6712.28 43924.07  4554.76  332.710   25.030  323.596   17.399 9.113159 30.48313 
1 1 1  -52    8   15 o   32.054   11.857  335.782  408.918  169.521  1142.01  360.234  437.956   44.162   18.623   33.163   12.270 10.99894 22.30158 
1 1 1  -52    8   16 f   56.269   10.958  1356.53  482.632 -630.2866  1277.13  1687.53  521.288   39.719   18.069   63.022   10.561 -23.30312 20.92901 
1 1 1  -52    8   17 o  120.634   8.8912  6048.38  864.762  4279.20  1847.49  6544.74  978.582   94.744   23.991  125.242   9.6986 -30.49799 25.87725 
1 1 1  -52    8   18 o  100.594   9.0918  4239.55  734.583  3591.19  1546.43  4428.48  834.776   86.537   21.969  102.438   10.171 -15.90025 24.20938 
1 1 1  -52    8   19 o   92.664   9.6055  3638.53  712.226  1607.69  1736.35  4049.34  780.948   61.700   24.045   97.642   9.9910 -35.94192 26.03806 
1 1 1  -52    8   20 o  129.821   9.7804  7182.13  1023.38  5911.85  2270.46  7506.00  1146.44  102.610   26.917  132.066   10.785 -29.45621 28.99690 
1 1 1  -52    8   21 o   30.812   12.821  180.744  530.382 -832.4554  1377.79  357.007  574.667   37.371   17.597   34.338   13.693 3.033653 22.29725 
1 1 1  -52    8   22 o   30.663   12.105  304.484  444.940  912.951  1841.22  266.748  458.530   50.099   22.334   30.246   12.172 19.85307 25.43513 
1 1 1  -52    8   23 o   64.740   14.187  2129.93  725.174  1225.40  1891.59  2285.77  785.164   48.204   21.953   66.411   14.924 -18.20715 26.54550 
1 1 1  -52    8   24 o   29.759   13.301  123.112  657.724   0.0000   0.0000  123.112  657.724  ?   ?    29.759   13.301 0.000000 13.30122 
1 1 1  -52   10    4 o  159.106   15.500 10441.59  1976.96 10441.59  1976.96   0.0000   0.0000  159.106   15.500  ?   ?  0.000000 15.49965 
1 1 1  -52   10    5 o  438.408   32.156 80793.09 11366.88 80793.09 11366.88   0.0000   0.0000  438.408   32.156  ?   ?  0.000000 32.15619 
1 1 1  -52   10    6 o  155.837   9.8440  9928.77  1239.20  9364.81  1885.14 10357.90  1644.42  150.499   15.656  158.798   12.864 -8.298782 20.26294 
1 1 1  -52   10    7 o  199.315   12.252 16272.55  1973.22 11174.77  2904.40 20642.64  2689.13  163.016   22.546  224.152   14.859 -61.13571 27.00243 
1 1 1  -52   10    8 o  195.355   10.823 15610.53  1709.99   0.0000   0.0000 15610.53  1709.99  ?   ?   195.355   10.823 0.000000 10.82256 
1 1 1  -52   10    9 f  106.861   6.8889  4664.69  594.547  3759.56  1321.56  4894.37  665.720   94.070   17.957  109.407   7.5400 -15.33614 19.47574 
1 1 1  -52   10   10 o  283.414   12.018 32838.08  2765.51 34428.53  4996.59 32135.69  3320.49  287.230   21.582  279.516   14.682 7.714661 26.10248 
1 1 1  -52   10   11 o  185.218   8.7694 13987.38  1318.83 16352.07  2499.65 13075.20  1552.49  198.755   15.615  178.566   10.758 20.18840 18.96180 
1 1 1  -52   10   12 o   98.780   7.6998  4001.10  612.695  2661.18  1365.95  4338.59  685.527   78.440   21.021  102.809   8.2823 -24.36988 22.59339 
1 1 1  -52   10   13 o  179.307   8.9061 13143.02  1296.66 15787.14  2501.14 12171.17  1516.34  194.431   15.984  171.919   10.919 22.51219 19.35796 
1 1 1  -52   10   14 o   54.009   9.7249  1233.10  410.791  1344.72  1166.51  1217.29  438.907   58.443   20.204   53.514   10.476 4.928085 22.75855 
1 1 1  -52   10   15 o  140.488   8.8841  8144.93  1008.20  5461.58  2035.40  9017.35  1160.57  109.469   23.594  147.613   9.7377 -38.14399 25.52493 
1 1 1  -52   10   16 o  104.594   9.1394  4549.84  768.387  4348.82  1654.94  4605.08  867.569   97.396   21.502  104.893   10.320 -7.497383 23.85019 
1 1 1  -52   10   17 o   67.664   10.371  1949.83  551.620 -765.1359  1411.50  2439.23  599.279   40.648   18.681   75.959   9.9562 -35.31170 21.16824 
1 1 1  -52   10   18 o   77.372   10.362  2552.78  634.633  2142.54  1613.38  2627.88  690.279   67.699   23.741   78.219   11.187 -10.52007 26.24451 
1 1 1  -52   10   19 o   48.912   13.893  1076.77  577.614 -686.0836  1342.88  1476.96  639.827   39.022   18.036   57.097   13.926 -18.07545 22.78673 
1 1 1  -52   10   20 o  210.695   11.622 19298.93  1980.49 17063.72  3799.48 20132.82  2320.70  173.770   27.871  212.783   13.502 -39.01326 30.96887 
1 1 1  -52   10   21 o   31.743   12.672  296.245  492.645 -467.3019  1825.58  356.215  511.625   44.060   20.590   33.104   13.008 10.95647 24.35491 
1 1 1  -52   10   22 o  123.038   14.038  7262.44  1377.29  4748.42  2773.82  8085.07  1586.70   71.412   29.484  127.600   15.642 -56.18826 33.37620 
1 1 1  -52   10   23 o   23.578   11.315 -624.1650  626.508 -722.6713  2180.17 -615.2982  654.098   40.321   19.749   24.243   11.615 16.07754 22.91145 
1 1 1  -52   12    1 o  446.817   34.823 84156.91 12534.18   0.0000   0.0000 84156.91 12534.18  ?   ?   446.817   34.823 0.000000 34.82339 
1 1 1  -52   12    2 o  313.410   27.121 40976.22  6833.68   0.0000   0.0000 40976.22  6833.68  ?   ?   313.410   27.121 0.000000 27.12090 
1 1 1  -52   12    3 o  395.727   32.331 65890.48 10297.66   0.0000   0.0000 65890.48 10297.66  ?   ?   395.727   32.331 0.000000 32.33067 
1 1 1  -52   12    4 o  366.885   15.034 55023.57  4478.67 53658.72  7776.75 55700.89  5478.39  358.676   26.899  368.527   18.308 -9.851135 32.53811 
1 1 1  -52   12    5 o  248.628   13.184 25307.65  2652.05 28180.10  3992.75 23039.87  3547.70  261.278   18.949  236.181   18.651 25.09703 26.58855 
1 1 1  -52   12    6 o  186.134   11.596 14186.00  1743.92 12745.10  2650.78 15285.57  2315.61  175.098   18.947  192.723   14.914 -17.62550 24.11227 
1 1 1  -52   12    7 o  248.585   13.982 25353.50  2810.75 24014.57  4128.52 26510.28  3837.44  240.214   21.391  253.159   18.803 -12.94414 28.47993 
1 1 1  -52   12    8 o  196.568   16.128 15962.05  2551.50   0.0000   0.0000 15962.05  2551.50  ?   ?   196.568   16.128 0.000000 16.12830 
1 1 1  -52   12    9 o  281.752   11.708 32437.38  2678.58 36143.69  4900.17 30857.99  3198.79  294.758   20.604  273.982   14.430 20.77563 25.15423 
1 1 1  -52   12   10 o  176.817   8.5648 12742.88  1229.65 15400.07  2481.85 11878.39  1415.61  192.803   15.998  170.260   10.288 22.54318 19.02053 
1 1 1  -52   12   11 o  110.036   7.7206  4958.37  685.438  2748.61  1646.27  5421.77  753.891   80.119   23.667  115.036   8.1234 -34.91718 25.02227 
1 1 1  -52   12   12 o  142.788   8.1294  8347.71  938.612 10280.72  1982.94  7789.55  1065.54  156.829   15.787  137.683   9.5912 19.14621 18.47176 
1 1 1  -52   12   13 f   83.366   8.0782  2867.25  539.954  875.591  1401.89  3214.18  585.094   55.438   21.605   88.279   8.2586 -32.84124 23.12983 
1 1 1  -52   12   14 o   25.765   10.596   89.972  356.478 -50.7094  1182.92  104.024  373.858   42.819   18.523   26.552   10.877 16.26692 21.48109 
1 1 1  -52   12   15 o   54.639   11.539  1286.07  495.873 -35.8663  1379.17  1482.33  531.410   45.838   19.915   58.749   11.552 -12.91061 23.02304 
1 1 1  -52   12   16 o   91.507   9.7530  3509.79  713.492  4376.77  1702.08  3324.97  785.872   96.950   22.112   88.607   11.171 8.342926 24.77354 
1 1 1  -52   12   17 o  218.532   11.223 20124.77  1984.70 18065.78  3856.01 20866.81  2314.87  193.639   25.117  221.210   12.944 -27.57086 28.25590 
1 1 1  -52   12   18 o   55.911   13.404  1398.00  600.621  3251.17  1624.24  1104.45  646.443   80.560   23.426   49.749   14.862 30.81104 27.74314 
1 1 1  -52   12   19 o   80.976   11.947  2876.20  761.936  1862.75  1692.45  3133.81  853.300   62.764   23.926   84.087   12.911 -21.32274 27.18729 
1 1 1  -52   12   20 o   62.768   12.717  1792.58  625.913  3084.77  1921.71  1639.23  662.012   72.537   25.863   59.359   13.968 13.17761 29.39415 
1 1 1  -52   12   21 o   93.339   11.491  3919.25  852.496  5853.11  2408.43  3642.25  911.508   90.416   28.978   88.754   13.037 1.661743 31.77570 
1 1 1  -52   12   22 o   66.308   15.933  2298.48  847.126  3468.59  2113.60  2074.54  924.642   64.719   26.102   61.138   17.646 3.581669 31.50686 
1 1 1  -52   12   23 o   27.360   12.510 -105.8340  622.143  2006.22  2089.37 -311.3169  651.705   48.898   22.565   26.135   12.242 22.76316 25.67181 
1 1 1  -52   14    1 o  207.827   23.239 18032.13  3854.45   0.0000   0.0000 18032.13  3854.45  ?   ?   207.827   23.239 0.000000 23.23921 
1 1 1  -52   14    2 o  312.048   27.880 40786.96  6989.66   0.0000   0.0000 40786.96  6989.66  ?   ?   312.048   27.880 0.000000 27.88007 
1 1 1  -52   14    3 o  428.580   34.892 77966.41 12036.79   0.0000   0.0000 77966.41 12036.79  ?   ?   428.580   34.892 0.000000 34.89207 
1 1 1  -52   14    4 o  314.875   16.060 40709.95  4092.48 30389.01  7259.32 45518.37  4954.93  266.335   34.370  332.421   18.430 -66.08524 38.99949 
1 1 1  -52   14    5 o   64.672   9.5119  1739.76  484.563  1408.54  920.963  1866.56  569.810   58.446   17.803   66.812   10.878 -8.365456 20.86327 
1 1 1  -52   14    6 o  250.803   13.810 25805.15  2801.52 28846.78  4231.97 23432.41  3737.79  263.796   19.904  237.699   19.539 26.09630 27.89207 
1 1 1  -52   14    7 o  201.248   13.030 16630.13  2117.78 13088.74  3217.88 19336.06  2812.82  176.165   23.049  216.454   16.120 -40.28931 28.12667 
1 1 1  -52   14    8 o  397.133   29.330 66956.77  9390.77   0.0000   0.0000 66956.77  9390.77  ?   ?   397.133   29.330 0.000000 29.32989 
1 1 1  -52   14    9 o  108.084   10.436  4814.14  904.482  3877.15  1594.52  5258.67  1098.27   94.785   21.244  112.718   12.194 -17.93329 24.49509 
1 1 1  -52   14   10 o  196.829   10.474 15881.68  1667.88 10894.10  3294.64 17600.35  1934.01  158.449   26.547  207.025   11.551 -48.57613 28.95174 
1 1 1  -52   14   11 o  420.452   22.171 74703.26  7542.26 73098.79 10995.87 76128.85 10364.82  405.716   33.683  416.951   30.834 -11.23480 45.66505 
1 1 1  -52   14   12 o  438.560   17.527 80521.05  6241.18 86903.62 11168.91 77623.16  7525.82  440.285   31.449  426.610   21.799 13.67447 38.26530 
1 1 1  -52   14   13 o   79.208   8.6730  2602.34  548.678  458.950  1656.37  2866.52  581.509   54.418   22.651   83.161   8.7428 -28.74358 24.27965 
1 1 1  -52   14   14 o  152.167   9.0391  9563.40  1111.80  9183.76  2420.48  9664.91  1251.65  143.709   21.396  152.637   10.157 -8.927368 23.68438 
1 1 1  -52   14   15 o  162.456   9.5409 10955.04  1253.00  9245.78  2708.10 11420.63  1413.39  140.905   24.563  165.474   10.575 -24.56900 26.74264 
1 1 1  -52   14   16 o   87.561   9.7447  3224.94  681.065  3180.57  1859.32  3231.81  731.936   81.025   25.402   87.408   10.524 -6.383308 27.49611 
1 1 1  -52   14   17 o   38.713   14.275  542.067  591.759  2342.65  1740.54  306.734  629.243   70.223   24.657   35.534   14.273 34.68913 28.48993 
1 1 1  -52   14   18 o   41.034   14.185  693.477  574.958  4950.53  1846.23  236.265  605.047   98.874   23.367   33.773   13.837 65.10069 27.15627 
1 1 1  -52   14   19 o   66.733   13.399  2021.71  700.817  1652.03  2151.97  2065.57  741.224   61.633   25.750   67.142   14.047 -5.509483 29.33238 
1 1 1  -52   14   20 o   50.629   15.190  1226.01  674.155  629.089  1909.34  1311.03  720.566   51.077   22.758   52.108   15.720 -1.031216 27.65950 
1 1 1  -52   14   21 o   48.651   17.426  1202.88  873.365  393.764  2519.81  1313.35  931.080   50.229   23.696   50.279   17.994 -0.5072784E-01 29.75425 
1 1 1  -52   14   22 o   59.322   18.264  2084.21  966.088 -413.7866  2431.06  2552.68  1052.79   43.217   21.101   65.326   18.821 -22.10855 28.27504 
1 1 1  -52   14   23 o   44.150   16.661  1215.05  815.419  866.738  3135.67  1240.31  844.472   42.982   21.498   44.336   16.901 -1.353439 27.34629 
1 1 1  -52   16    1 f   47.772   20.868 -301.1505  1531.92   0.0000   0.0000 -301.1505  1531.92  ?   ?    47.772   20.868 0.000000 20.86798 
1 1 1  -52   16    2 o  426.249   35.049 77432.91 12023.00   0.0000   0.0000 77432.91 12023.00  ?   ?   426.249   35.049 0.000000 35.04902 
1 1 1  -52   16    3 o  154.546   11.381  9795.33  1418.07   0.0000   0.0000  9795.33  1418.07  ?   ?   154.546   11.381 0.000000 11.38069 
1 1 1  -52   16    4 o  360.956   18.232 53712.98  5326.10 38987.65  9551.33 60358.13  6416.28  298.311   40.478  381.836   20.773 -83.52499 45.49721 
1 1 1  -52   16    5 o  243.661   13.275 24350.82  2616.56 19306.44  4645.44 26694.80  3166.65  213.158   27.480  254.721   15.383 -41.56320 31.49281 
1 1 1  -52   16    6 f  144.305   11.637  8559.87  1351.89  6566.37  2253.01  9681.42  1689.92  123.785   23.270  153.176   13.733 -29.39080 27.02041 
1 1 1  -52   16    7 o   60.635   13.106  1562.70  626.417 -1155.2581  1416.06  2223.97  698.475   39.909   18.473   72.769   12.257 -32.85941 22.16941 
1 1 1  -52   16    8 o  162.542   12.151 10874.06  1592.05  9887.61  2635.51 11440.86  1997.74  152.590   21.899  166.178   14.966 -13.58791 26.52490 
1 1 1  -52   16    9 o  256.550   15.465 27236.07  3206.38 24602.86  4830.83 29309.58  4286.77  240.066   25.157  264.479   20.113 -24.41302 32.20832 
1 1 1  -52   16   10 o  198.048   9.4394 16038.41  1517.94 16114.83  3142.11 16015.15  1733.66  195.139   20.119  197.387   10.859 -2.248352 22.86268 
1 1 1  -52   16   11 o  468.056   24.949 94843.84  9447.36 94108.88 13784.46 95494.87 12973.54  448.009   38.260  455.769   35.333 -7.760162 52.07965 
1 1 1  -52   16   12 o  130.989   8.5985  7062.69  909.452  5954.74  2146.56  7305.08  1004.02  115.150   23.747  133.063   9.3522 -17.91280 25.52234 
1 1 1  -52   16   13 o  127.721   8.4156  6727.69  867.848  9619.66  2223.18  6207.77  942.636  148.691   18.837  122.384   9.5619 26.30739 21.12448 
1 1 1  -52   16   14 o  109.281   8.8915  4955.88  782.118  1729.37  2147.13  5449.49  839.817   68.767   26.755  114.569   9.1028 -45.80183 28.26136 
1 1 1  -52   16   15 o   17.095   8.3281 -660.8376  372.798 -3188.4141  1424.13 -474.8935  386.268   30.342   15.064   19.149   9.1054 11.19364 17.60206 
1 1 1  -52   16   16 o   19.004   9.0555 -485.2452  386.131 -1083.5360  1637.55 -450.0215  397.335   42.048   19.599   19.728   9.3381 22.31988 21.71017 
1 1 1  -52   16   17 o  107.387   10.137  4892.56  873.461  4026.81  2414.68  5022.90  936.906   85.592   29.085  108.521   10.775 -22.92968 31.01635 
1 1 1  -52   16   18 o  107.977   10.457  5003.06  905.279  6607.79  2558.38  4773.38  967.899  107.042   28.803  104.830   11.564 2.212387 31.03743 
1 1 1  -52   16   19 o   31.635   13.395  135.258  594.779 -329.3355  2309.00  168.276  615.552   50.068   23.316   32.497   13.686 17.57121 27.03604 
1 1 1  -52   16   20 o   24.947   12.050 -943.4907  737.812   50.205  2472.70 -1040.6090  773.026   50.232   23.629   25.170   12.200 25.06205 26.59289 
1 1 1  -52   16   21 o   28.333   13.021 -237.7512  685.678  1089.05  2829.95 -320.5006  706.737   51.352   24.482   28.051   13.007 23.30047 27.72268 
1 1 1  -52   16   22 o   26.976   12.906 -593.4315  801.072 -2140.2451  3122.78 -484.4728  828.806   40.293   20.325   28.130   13.365 12.16326 24.32579 
1 1 1  -52   18    1 o  106.239   27.651  4897.87  2408.32   0.0000   0.0000  4897.87  2408.32  ?   ?   106.239   27.651 0.000000 27.65081 
1 1 1  -52   18    2 o  455.432   37.812 89747.97 13856.12   0.0000   0.0000 89747.97 13856.12  ?   ?   455.432   37.812 0.000000 37.81157 
1 1 1  -52   18    3 o  576.161   27.596 139263.09 12910.13   0.0000   0.0000 139263.09 12910.13  ?   ?   576.161   27.596 0.000000 27.59613 
1 1 1  -52   18    4 o   92.287   11.379  3530.19  834.638  1568.83  1892.54  4003.76  929.958   68.753   25.494   98.282   11.896 -29.52914 28.13231 
1 1 1  -52   18    5 o  211.557   12.212 18365.70  2088.82 18878.28  3933.23 18164.35  2465.18  211.614   23.276  209.923   14.553 1.691559 27.45072 
1 1 1  -52   18    6 o  138.440   13.257  7926.24  1471.97  1792.80  2563.66 10942.65  1797.85   76.578   29.387  162.768   13.732 -86.18948 32.43659 
1 1 1  -52   18    7 o   61.804   15.019  1634.62  746.323   0.0000   0.0000  1634.62  746.323  ?   ?    61.804   15.019 0.000000 15.01943 
1 1 1  -52   18    8 o  184.559   13.353 14079.31  1987.56 13186.00  3287.29 14594.04  2495.32  175.260   23.709  187.026   16.605 -11.76569 28.94503 
1 1 1  -52   18    9 o  226.200   14.746 21258.34  2693.56 20825.12  4295.10 21539.16  3458.07  219.560   24.511  226.007   19.021 -6.446518 31.02536 
1 1 1  -52   18   10 o  148.109   12.234  9110.52  1458.04 10582.65  2481.99  8334.80  1801.69  156.984   19.920  140.464   16.087 16.51981 25.60481 
1 1 1  -52   18   11 o   16.143   7.5866 -270.0757  253.905 -273.3820  1196.25 -269.9197  259.825   41.241   18.213   16.410   7.7000 24.83171 19.77385 
1 1 1  -52   18   12 o  136.578   8.5309  7692.38  941.310  6420.61  2427.36  7917.48  1021.22  117.459   26.126  138.412   9.1382 -20.95267 27.67817 
1 1 1  -52   18   13 o   80.787   8.6654  2718.06  559.539  4198.54  1728.46  2544.75  591.384   95.307   22.666   77.927   9.5460 17.38004 24.59448 
1 1 1  -52   18   14 o  146.100   9.1467  8868.64  1079.60  9375.60  2743.33  8775.74  1174.36  140.770   24.913  144.995   10.037 -4.224182 26.85830 
1 1 1  -52   18   15 o   16.177   7.9812 -811.6425  377.528  1269.88  1838.37 -903.2913  385.750   60.838   24.411   15.889   7.8802 44.94898 25.65165 
1 1 1  -52   18   16 o   40.331   13.357  679.592  509.568 -1594.6620  1966.82  843.233  527.583   43.738   20.724   43.993   13.489 -0.2550430 24.72746 
1 1 1  -52   18   17 f   42.124   13.456  772.144  519.635 -278.8116  2182.25  835.316  535.024   51.363   23.464   43.561   13.621 7.801380 27.13133 
1 1 1  -52   18   18 o   36.265   13.987  450.738  582.855  2106.25  2372.86  344.438  601.277   64.896   27.070   34.872   13.972 30.02387 30.46305 
1 1 1  -52   18   19 f   48.038   17.328  1082.58  865.052  219.463  2671.10  1183.72  914.328   53.098   24.843   49.699   17.827 3.398968 30.57727 
1 1 1  -52   18   20 o   62.488   19.599  2228.95  1106.67  1962.86  3070.80  2268.67  1186.39   56.802   26.595   62.241   20.370 -5.439476 33.50005 
1 1 1  -52   18   21 o   32.082   14.349   81.608  766.764 -414.5228  3178.72  112.259  790.094   45.341   22.509   32.704   14.601 12.63628 26.83022 
1 1 1  -52   20    1 o  454.120   38.486 90778.30 14057.56   0.0000   0.0000 90778.30 14057.56  ?   ?   454.120   38.486 0.000000 38.48629 
1 1 1  -52   20    2 f  376.074   21.021 58968.63  6393.25   0.0000   0.0000 58968.63  6393.25  ?   ?   376.074   21.021 0.000000 21.02097 
1 1 1  -52   20    3 o  423.823   24.314 75605.95  8332.27   0.0000   0.0000 75605.95  8332.27  ?   ?   423.823   24.314 0.000000 24.31424 
1 1 1  -52   20    4 o  221.883   13.546 20284.39  2428.82 20168.60  4972.08 20320.68  2783.54  215.725   29.131  221.566   15.571 -5.841629 33.03120 
1 1 1  -52   20    5 o  105.271   11.891  4597.93  998.556  2768.68  2306.20  5020.01  1107.78   83.014   28.423  109.908   12.644 -26.89428 31.10804 
1 1 1  -52   20    6 o  105.981   12.413  4673.90  1047.93  3146.84  2415.65  5027.90  1163.07   86.935   29.093  109.777   13.321 -22.84204 31.99739 
1 1 1  -52   20    7 o  186.782   14.316 14498.38  2154.59 12222.84  3740.10 15628.65  2635.93  165.655   28.855  193.082   16.986 -27.42752 33.48324 
1 1 1  -52   20    8 o   64.021   14.532  1765.46  738.112  418.806  1746.84  2058.15  814.384   55.705   23.230   69.135   14.943 -13.43050 27.62145 
1 1 1  -52   20    9 o   95.739   13.012  3863.10  985.337  1929.14  2114.75  4399.38  1113.60   72.247   26.917  102.059   13.791 -29.81260 30.24447 
1 1 1  -52   20   10 o  204.345   26.578 18894.30  4305.44 18894.30  4305.44   0.0000   0.0000  204.345   26.578  ?   ?  0.000000 26.57783 
1 1 1  -52   20   11 o  154.328   14.235 10077.67  1763.64  9911.02  3240.42 10147.82  2102.29  144.790   28.577  153.494   17.162 -8.703491 33.33452 
1 1 1  -52   20   12 o  107.715   8.4421  4805.27  732.445  6117.79  2351.58  4664.25  770.787  113.482   26.069  105.958   9.0457 7.523872 27.59407 
1 1 1  -52   20   13 f   62.550   10.112  1664.67  496.072  2165.38  2232.40  1638.66  508.793   72.141   27.484   61.946   10.490 10.19457 29.41814 
1 1 1  -52   20   14 f   40.902   12.277  717.742  440.305  1975.99  2241.70  667.253  449.052   69.450   27.249   39.752   12.487 29.69785 29.97397 
1 1 1  -52   20   15 o   63.477   11.424  1751.93  567.172 -2330.0339  2216.64  2037.90  586.703   44.077   21.188   68.776   10.867 -24.69825 23.81199 
1 1 1  -52   20   16 o  142.449   10.034  8608.46  1153.20  7985.77  3168.17  8703.56  1238.13  114.934   32.499  142.783   10.759 -27.84921 34.23380 
1 1 1  -52   20   17 o   92.290   10.790  3697.27  793.280  3906.80  2844.51  3679.60  826.053   78.397   30.714   91.773   11.326 -13.37669 32.73524 
1 1 1  -52   20   18 o   35.443   15.358  125.594  815.875 -1177.9340  2670.52  259.787  856.842   48.683   23.363   37.524   15.990 11.15826 28.31088 
1 1 1  -52   20   19 o   63.066   20.718  2294.18  1226.86  3181.55  3182.54  2139.29  1329.63   63.319   28.696   60.322   21.513 2.997265 35.86430 
1 1 1  -52   20   20 o   28.666   13.782 -830.3610  939.018 -327.2150  3177.26 -878.5147  982.926   46.930   23.153   29.129   14.029 17.80028 27.07178 
1 1 1  -52   20   21 o   38.064   16.378  654.021  914.678 -101.9343  3056.30  728.390  958.614   42.571   21.282   39.021   16.777 3.550072 27.10023 
1 1 1  -52   22    1 o  275.613   17.489 31686.83  3893.58   0.0000   0.0000 31686.83  3893.58  ?   ?   275.613   17.489 0.000000 17.48905 
1 1 1  -52   22    2 o  162.598   13.864 10972.38  1812.92   0.0000   0.0000 10972.38  1812.92  ?   ?   162.598   13.864 0.000000 13.86422 
1 1 1  -52   22    3 o   60.036   14.683  1547.88  709.799   0.0000   0.0000  1547.88  709.799  ?   ?    60.036   14.683 0.000000 14.68252 
1 1 1  -52   22    4 o  106.850   13.814  4787.99  1170.44   0.0000   0.0000  4787.99  1170.44  ?   ?   106.850   13.814 0.000000 13.81424 
1 1 1  -52   22    5 o   57.311   14.505  1412.84  675.561 -4420.4351  1985.04  2176.96  718.446   36.376   18.011   71.618   12.826 -35.24197 22.11121 
1 1 1  -52   22    6 o  137.349   14.829  7925.78  1627.57   0.0000   0.0000  7925.78  1627.57  ?   ?   137.349   14.829 0.000000 14.82945 
1 1 1  -52   22    7 o  118.207   13.886  5880.13  1307.41  4299.83  2941.15  6269.29  1459.54   97.234   32.085  121.729   15.090 -24.49586 35.45671 
1 1 1  -52   22    8 o  193.394   15.824 15806.81  2463.08 10827.05  4422.90 18045.43  2965.47  147.251   37.029  205.589   17.945 -58.33740 41.14811 
1 1 1  -52   22    9 o   28.763   13.055 -362.4782  661.861 -1896.4460  1848.95 -137.0270  708.832   42.545   20.140   32.241   14.136 10.30399 24.60618 
1 1 1  -52   22   10 o   37.441   15.584  179.241  784.066  1139.34  2016.11   8.1566  851.062   63.200   25.492   36.864   15.828 26.33605 30.00581 
1 1 1  -52   22   11 o  130.255   14.752  7278.06  1532.75  5894.30  3113.36  7720.74  1760.94  107.041   32.759  133.268   16.636 -26.22706 36.74067 
1 1 1  -52   22   12 o  152.462   9.4373  9674.19  1162.53 10445.87  3618.93  9585.39  1227.60  141.858   32.160  151.516   10.035 -9.658051 33.68965 
1 1 1  -52   22   13 o  131.529   8.8730  7209.56  942.073 11255.98  3312.42  6853.45  982.653  149.294   28.362  127.975   9.5249 21.32006 29.91890 
1 1 1  -52   22   14 o   76.895   9.7682  2512.11  596.127  1142.68  2929.58  2571.26  608.866   66.349   28.924   77.775   9.8631 -11.42593 30.55936 
1 1 1  -52   22   15 o   37.607   13.341  556.888  510.666  4159.68  2696.74  422.891  520.076   84.433   30.573   35.178   13.298 49.25535 33.33993 
1 1 1  -52   22   16 o   45.646   13.403  943.047  529.359 -6660.5532  3448.84  1126.50  535.707   44.028   22.096   49.735   13.088 -5.707325 25.68133 
1 1 1  -52   22   17 o  128.301   18.712  8162.33  1892.01  7016.06  4496.79  8408.91  2085.60   84.007   36.229  127.600   20.850 -43.59336 41.80008 
1 1 1  -52   22   18 o   50.568   19.911  1265.11  1200.95 -3518.3701  3564.31  1877.71  1275.54   46.380   23.156   57.772   21.010 -11.39145 31.26670 
1 1 1  -52   22   19 o   37.550   16.911  169.045  1085.42 -5108.4072  3789.36  640.747  1132.89   42.126   21.377   41.916   18.130 0.2097168 28.02998 
1 1 1  -52   22   20 o   28.768   13.952 -880.3932  1014.91 -8554.8066  4027.48 -360.0071  1048.75   36.763   18.894   31.989   15.150 4.774326 24.21784 
1 1 1  -52   24    1 o   46.492   14.564  891.834  611.342   0.0000   0.0000  891.834  611.342  ?   ?    46.492   14.564 0.000000 14.56426 
1 1 1  -52   24    2 o   83.988   14.843  3014.79  975.197   0.0000   0.0000  3014.79  975.197  ?   ?    83.988   14.843 0.000000 14.84297 
1 1 1  -52   24    3 o  230.500   17.619 22466.24  3272.57   0.0000   0.0000 22466.24  3272.57  ?   ?   230.500   17.619 0.000000 17.61906 
1 1 1  -52   24    4 o  258.641   18.780 28471.36  3917.08   0.0000   0.0000 28471.36  3917.08  ?   ?   258.641   18.780 0.000000 18.78019 
1 1 1  -52   24    5 o  228.225   17.405 22108.69  3200.99   0.0000   0.0000 22108.69  3200.99  ?   ?   228.225   17.405 0.000000 17.40480 
1 1 1  -52   24    6 o  154.785   14.524 10101.74  1803.98 10834.14  4335.72  9948.41  1983.85  147.332   36.444  152.902   16.227 -5.569397 39.89393 
1 1 1  -52   24    7 o  131.559   13.947  7315.98  1467.15  7411.73  3552.57  7296.29  1610.94  121.817   34.404  130.798   15.468 -8.981110 37.72084 
1 1 1  -52   24    8 o   94.387   15.873  3865.51  1173.30  659.106  3012.53  4438.85  1273.89   68.973   29.699  101.229   16.033 -32.25527 33.75053 
1 1 1  -52   24    9 o   71.846   28.867  1741.83  2574.42  1741.83  2574.42   0.0000   0.0000   71.846   28.867  ?   ?  0.000000 28.86674 
1 1 1  -52   24   10 o   90.413   17.356  3638.71  1227.84  1890.25  2697.26  4095.73  1379.00   72.889   29.455   95.559   18.441 -22.67038 34.75142 
1 1 1  -52   24   11 o   81.474   17.729  3004.27  1139.53 -118.3000  2778.13  3635.90  1249.48   60.710   27.222   89.818   17.762 -29.10833 32.50393 
1 1 1  -52   24   12 o   88.964   8.6026  3311.48  613.658 -2666.3491  2922.14  3587.27  627.654   51.183   24.530   92.677   8.4331 -41.49381 25.93905 
1 1 1  -52   24   13 o   94.829   8.7217  3775.26  664.026  5642.59  3458.70  3703.80  676.613   96.106   34.651   93.824   8.9916 2.282059 35.79836 
1 1 1  -52   24   14 o  106.315   10.269  4824.31  875.391  1153.19  3515.15  5067.04  903.867   67.123   30.312  108.939   10.342 -41.81602 32.02828 
1 1 1  -52   24   15 o   19.470   9.2041 -408.9295  383.679  3092.64  4117.13 -439.6054  385.356   73.571   33.053   19.234   9.1308 54.33691 34.29091 
1 1 1  -52   24   16 o   58.017   21.173  1727.68  1297.09  3286.11  4080.71  1552.53  1368.05   69.678   31.926   56.084   21.480 13.59412 38.47968 
1 1 1  -52   24   17 o   89.933   22.988  4760.60  1685.07  5150.45  5312.64  4716.99  1776.82   67.589   32.568   87.670   24.177 -20.08195 40.56096 
1 1 1  -52   24   18 o   38.795   17.710  100.360  1240.53 -3306.6699  4579.34  370.188  1288.72   47.332   23.962   41.112   18.479 6.219826 30.26022 
1 1 1  -52   24   19 o   43.367   18.525  1016.30  1155.17  2246.49  5067.10  948.856  1186.41   49.312   24.991   42.837   18.541 6.474613 31.11808 
1 1 1  -52   26    1 o   82.587   17.619  2988.96  1145.48   0.0000   0.0000  2988.96  1145.48  ?   ?    82.587   17.619 0.000000 17.61909 
1 1 1  -52   26    2 o   25.163   11.389 -267.3536  499.366   0.0000   0.0000 -267.3536  499.366  ?   ?    25.163   11.389 0.000000 11.38870 
1 1 1  -52   26    3 o  115.136   16.116  5686.12  1465.36   0.0000   0.0000  5686.12  1465.36  ?   ?   115.136   16.116 0.000000 16.11607 
1 1 1  -52   26    4 o   95.363   16.686  3952.12  1244.95   0.0000   0.0000  3952.12  1244.95  ?   ?    95.363   16.686 0.000000 16.68593 
1 1 1  -52   26    5 o   25.308   11.681 -426.3705  560.171  1482.63  3311.03 -482.6220  568.365   76.172   31.892   25.026   11.625 51.14685 33.94513 
1 1 1  -52   26    6 o  126.396   15.097  6838.60  1518.70  4680.20  4346.45  7138.77  1620.87   99.040   38.197  128.856   15.825 -29.81557 41.34504 
1 1 1  -52   26    7 o  109.765   15.238  5200.42  1321.48  5960.15  3825.44  5097.48  1408.17  106.400   36.599  108.088   16.574 -1.687340 40.17672 
1 1 1  -52   26    8 o  224.988   30.980 25060.36  5509.43 18190.14  6921.45 36941.02  9101.91  167.840   48.230  247.459   47.018 -79.61882 67.35635 
1 1 1  -52   26    9 o   42.934   16.517  586.263  811.122 -5692.7798  3236.00  1007.21  837.870   47.127   23.272   49.638   17.125 -2.511673 28.89405 
1 1 1  -52   26   10 o  162.318   16.826 11626.59  2185.41 10615.16  4778.54 11894.09  2457.46  129.575   40.739  162.475   18.986 -32.89977 44.94626 
1 1 1  -52   26   11 o  125.799   17.408  7131.45  1730.51  2980.12  3881.75  8161.15  1933.26   80.614   34.182  134.071   18.232 -53.45654 38.74024 
1 1 1  -52   26   12 o  154.771   17.819 10945.69  2198.48  6982.38  4807.94 11993.43  2472.05   98.258   39.460  160.522   19.357 -62.26342 43.95165 
1 1 1  -52   26   13 o   91.925   9.6504  3602.12  709.557  8653.41  4271.90  3458.81  719.552  106.618   38.499   89.891   10.029 16.72722 39.78374 
1 1 1  -52   26   14 o   51.558   19.801  1139.88  1164.57 -7446.8462  4191.99  1858.01  1212.29   47.644   23.972   60.877   20.608 -13.23341 31.61242 
1 1 1  -52   26   15 o   98.530   21.594  5197.73  1679.92  7510.06  4488.99  4821.15  1811.55   84.798   36.378   91.724   24.034 -6.926544 43.60069 
1 1 1  -52   26   16 o   37.173   17.100 -232.4064  1186.72 -2311.2920  4048.87 -37.0294  1241.24   50.433   25.098   39.176   17.819 11.25728 30.78039 
1 1 1  -52   26   17 o   33.499   16.026 -785.2163  1234.70  3077.80  4515.79 -1097.3430  1283.62   56.711   27.906   32.676   15.809 24.03452 32.07304 
1 1 1  -52   26   18 o   29.099   14.300 -1343.6550  1173.09 -1514.2570  5212.54 -1334.5540  1203.98   45.772   23.392   29.537   14.509 16.23491 27.52684 
1 1 1  -52   28    1 o  144.442   18.455  9100.99  2114.93   0.0000   0.0000  9100.99  2114.93  ?   ?   144.442   18.455 0.000000 18.45464 
1 1 1  -52   28    2 o  193.922   18.557 16351.24  2886.28   0.0000   0.0000 16351.24  2886.28  ?   ?   193.922   18.557 0.000000 18.55707 
1 1 1  -52   28    3 o  158.773   17.422 10933.11  2209.15   0.0000   0.0000 10933.11  2209.15  ?   ?   158.773   17.422 0.000000 17.42234 
1 1 1  -52   28    4 o  204.038   18.374 18164.51  3011.38   0.0000   0.0000 18164.51  3011.38  ?   ?   204.038   18.374 0.000000 18.37386 
1 1 1  -52   28    5 o  113.259   17.920  5671.70  1593.15   0.0000   0.0000  5671.70  1593.15  ?   ?   113.259   17.920 0.000000 17.92019 
1 1 1  -52   28    6 f  188.201   17.942 15555.49  2708.58 12999.84  7137.53 15985.45  2927.57  134.605   49.585  189.727   19.271 -55.12144 53.19857 
1 1 1  -52   28    7 o   65.288   29.722 -380.8210  3462.93 -1592.7710  4243.10  2036.58  5992.60   66.663   31.228   86.963   39.397 -20.29996 50.27236 
1 1 1  -52   28    8 o   87.191   18.749  3490.08  1287.91  1585.66  4230.21  3684.64  1352.10   77.164   34.155   89.417   19.197 -12.25263 39.17979 
1 1 1  -52   28    9 o  133.940   17.023  8027.63  1809.52  9122.13  5594.73  7899.76  1912.30  111.557   43.249  131.902   18.353 -20.34521 46.98135 
1 1 1  -52   28   10 f   75.244   20.805  2740.88  1313.70  3306.91  4866.65  2696.39  1364.35   82.291   36.519   74.377   21.425 7.914284 42.33969 
1 1 1  -52   28   11 o  211.838   20.877 21520.08  3544.32 18106.93  7711.48 22434.20  3990.83  126.545   50.255  212.002   23.583 -85.45758 55.51387 
1 1 1  -52   28   12 o  189.199   20.580 17517.09  3110.57 13522.32  6590.24 18662.14  3528.33  108.417   45.159  191.092   23.217 -82.67484 50.77747 
1 1 1  -52   28   13 o   73.584   23.349  3004.26  1566.57  466.137  4267.46  3399.57  1684.15   62.687   29.935   77.524   24.155 -14.83651 38.46507 
1 1 1  -52   28   14 o   99.111   22.958  5531.94  1811.28 -1197.0520  6092.13  6184.43  1897.07   60.079   30.037  105.186   22.864 -45.10708 37.74902 
1 1 1  -52   28   15 o  122.812   23.058  8882.08  2214.92  9964.31  6092.78  8717.27  2377.59   72.607   34.958  116.935   25.739 -44.32869 43.41126 
1 1 1  -52   28   16 f   38.731   17.987 -23.4822  1359.29  2721.23  6127.67 -165.5327  1394.02   54.607   27.654   38.249   17.912 16.35779 32.94784 
1 1 1  -52   30    1 o   46.279   19.036  440.509  1150.88   0.0000   0.0000  440.509  1150.88  ?   ?    46.279   19.036 0.000000 19.03631 
1 1 1  -52   30    2 o   65.255   20.126  1922.03  1172.53   0.0000   0.0000  1922.03  1172.53  ?   ?    65.255   20.126 0.000000 20.12583 
1 1 1  -52   30    3 o  166.743   20.121 12531.94  2669.10   0.0000   0.0000 12531.94  2669.10  ?   ?   166.743   20.121 0.000000 20.12081 
1 1 1  -52   30    4 o  212.336   20.139 20349.24  3430.70   0.0000   0.0000 20349.24  3430.70  ?   ?   212.336   20.139 0.000000 20.13939 
1 1 1  -52   30    5 f  210.693   20.314 20195.82  3432.13   0.0000   0.0000 20195.82  3432.13  ?   ?   210.693   20.314 0.000000 20.31373 
1 1 1  -52   30    6 o  117.366   49.467 12346.95  8051.71   0.0000   0.0000 12346.95  8051.71  ?   ?   117.366   49.467 0.000000 49.46747 
1 1 1  -52   30    7 o   95.787   20.265  4335.25  1526.95  6361.18  6652.09  4222.57  1568.84   96.101   42.669   93.974   21.080 2.126434 47.59175 
1 1 1  -52   30    8 o   61.920   20.725  1791.80  1225.95 -35.8874  5506.76  1887.11  1257.51   73.081   34.642   63.259   20.985 9.821705 40.50255 
1 1 1  -52   30    9 o   69.884   21.521  2425.71  1341.27  6747.09  5454.59  2147.60  1383.75   92.413   39.877   66.092   22.017 26.32043 45.55170 
1 1 1  -52   30   10 o   44.132   18.740  390.769  1169.48  1050.37  5632.84  361.056  1195.53   71.332   34.152   44.192   18.861 27.14088 39.01429 
1 1 1  -52   30   11 o   68.512   22.714  2522.21  1473.35   27.388  6400.92  2661.78  1514.00   67.608   33.260   70.067   23.015 -2.459068 40.44660 
1 1 1  -52   30   12 o   45.345   19.164  620.302  1213.64 -7323.2012  6561.17  901.718  1234.95   55.637   28.223   48.254   19.769 7.382427 34.45754 
1 1 1  -52   30   13 o   47.678   20.265  876.693  1369.72  1276.76  6120.49  855.600  1405.36   60.902   30.396   47.730   20.412 13.17229 36.61363 
1 1 1  -52   30   14 o   69.859   24.478  3431.95  1714.92 -1079.8180  6285.18  3794.86  1782.56   53.896   27.368   72.959   24.988 -19.06340 37.06012 
1 1 1  -52   30   15 o   70.269   25.383  4099.92  1857.32  -0.6945  7399.05  4375.68  1918.75   50.764   26.074   71.998   25.825 -21.23332 36.69861 
1 1 1  -52   32    1 o  158.888   23.327 12069.18  2919.88   0.0000   0.0000 12069.18  2919.88  ?   ?   158.888   23.327 0.000000 23.32717 
1 1 1  -52   32    2 o  156.735   22.768 11710.43  2812.75   0.0000   0.0000 11710.43  2812.75  ?   ?   156.735   22.768 0.000000 22.76779 
1 1 1  -52   32    3 o   88.694   23.213  3886.23  1691.12   0.0000   0.0000  3886.23  1691.12  ?   ?    88.694   23.213 0.000000 23.21264 
1 1 1  -52   32    4 o   74.015   34.893  112.086  5445.61   0.0000   0.0000  112.086  5445.61  ?   ?    74.015   34.893 0.000000 34.89280 
1 1 1  -52   32    5 o  111.528   21.691  6038.76  1893.53   0.0000   0.0000  6038.76  1893.53  ?   ?   111.528   21.691 0.000000 21.69074 
1 1 1  -52   32    6 o  109.038   22.116  5883.68  1891.10   0.0000   0.0000  5883.68  1891.10  ?   ?   109.038   22.116 0.000000 22.11630 
1 1 1  -52   32    7 o  104.852   22.346  5556.37  1844.31 -6525.8330  9523.93  6027.11  1879.90   70.455   35.535  109.811   21.853 -39.35508 41.71642 
1 1 1  -52   32    8 o  126.768   22.159  8177.46  2197.81 15637.76  9672.63  7771.32  2256.85   95.404   45.422  121.792   23.674 -26.38790 51.22139 
1 1 1  -52   32    9 o  129.832   22.957  8915.32  2331.60  2828.77  8939.95  9359.54  2415.19   72.879   36.429  132.662   23.270 -59.78312 43.22675 
1 1 1  -52   32   10 o   46.235   19.445  694.623  1239.76  7206.09  7375.66  505.303  1257.65   74.632   36.506   44.693   19.216 29.93926 41.25457 
1 1 1  -52   32   11 o   39.449   18.027 -124.2343  1289.38  5695.10  6859.52 -337.3763  1312.78   67.673   33.503   38.388   17.775 29.28492 37.92624 
1 1 1  -52   32   12 o   71.716   25.335  3659.84  1839.93  5253.63  8808.72  3587.14  1881.43   60.923   31.074   70.476   25.534 -9.552845 40.21878 
1 1 1  -52   32   13 o   35.371   16.867 -617.6141  1345.21  6794.71  8603.28 -803.3767  1361.96   56.659   29.039   34.678   16.653 21.98142 33.47533 
1 1 1  -52   34    1 o   83.257   27.268  3881.17  2125.77   0.0000   0.0000  3881.17  2125.77  ?   ?    83.257   27.268 0.000000 27.26810 
1 1 1  -52   34    2 o   89.904   40.979  7442.85  6608.96   0.0000   0.0000  7442.85  6608.96  ?   ?    89.904   40.979 0.000000 40.97879 
1 1 1  -52   34    3 o  148.074   25.865 11697.37  2996.61   0.0000   0.0000 11697.37  2996.61  ?   ?   148.074   25.865 0.000000 25.86504 
1 1 1  -52   34    4 o   71.075   24.273  2719.15  1681.85   0.0000   0.0000  2719.15  1681.85  ?   ?    71.075   24.273 0.000000 24.27260 
1 1 1  -52   34    5 o   84.846   25.432  4092.81  1890.48   0.0000   0.0000  4092.81  1890.48  ?   ?    84.846   25.432 0.000000 25.43182 
1 1 1  -52   34    6 o   45.645   19.638  470.633  1314.98   0.0000   0.0000  470.633  1314.98  ?   ?    45.645   19.638 0.000000 19.63832 
1 1 1  -52   34    7 o   70.994   23.562  2900.89  1585.21   0.0000   0.0000  2900.89  1585.21  ?   ?    70.994   23.562 0.000000 23.56164 
1 1 1  -52   34    8 o   65.874   24.422  2646.98  1736.65 19310.73 11479.09  2256.65  1756.87   77.350   39.012   61.974   24.177 15.37606 45.89655 
1 1 1  -52   34    9 o  101.972   27.192  6939.41  2292.64 11732.49 12031.64  6758.82  2335.43   66.686   34.189   99.076   27.864 -32.38927 44.10540 
1 1 1  -52   34   10 o   69.946   24.882  3472.61  1777.62 -4318.9570 11210.75  3673.57  1800.40   55.918   28.859   71.824   25.085 -15.90638 38.23762 
1 1 1  -52   36    1 o  105.579   32.251  8018.16  3019.29   0.0000   0.0000  8018.16  3019.29  ?   ?   105.579   32.251 0.000000 32.25140 
1 1 1  -52   36    2 o   56.621   24.130  1445.28  1951.60   0.0000   0.0000  1445.28  1951.60  ?   ?    56.621   24.130 0.000000 24.12995 
1 1 1  -52   36    3 o   90.259   30.096  5854.06  2585.25   0.0000   0.0000  5854.06  2585.25  ?   ?    90.259   30.096 0.000000 30.09575 
1 1 1  -52   36    4 o   60.179   24.799  2072.01  1957.62   0.0000   0.0000  2072.01  1957.62  ?   ?    60.179   24.799 0.000000 24.79923 
1 1 1  -52   36    5 o   25.326   12.702 -2712.5769  1130.08   0.0000   0.0000 -2712.5769  1130.08  ?   ?    25.326   12.702 0.000000 12.70179 
1 1 1  -52   36    6 o   78.764   27.740  4652.87  2204.14   0.0000   0.0000  4652.87  2204.14  ?   ?    78.764   27.740 0.000000 27.73962 
1 1 1  -51    1    1 o  689.617   34.478 197465.09 19305.94 196211.30 27297.17 198719.91 27308.29  677.623   49.965  682.178   49.642 -4.555298 70.43296 
1 1 1  -51    1    2 o  840.138   42.322 297324.69 28777.97 298565.19 40703.09 296084.81 40693.29  825.947   61.127  822.238   61.395 3.709778 86.63604 
1 1 1  -51    1    3 o  636.484   45.140 172071.91 23176.98 172071.91 23176.98   0.0000   0.0000  636.484   45.140  ?   ?  0.000000 45.13955 
1 1 1  -51    1    4 o  321.162   15.872 42102.44  4138.92 46504.55  5870.22 37750.67  5836.56  336.085   21.626  302.153   23.987 33.93204 32.29663 
1 1 1  -51    1    5 o  101.158   10.877  4213.46  879.369  4213.46  879.369   0.0000   0.0000  101.158   10.877  ?   ?  0.000000 10.87697 
1 1 1  -51    1    6 o  286.844   20.949 33939.00  4845.40   0.0000   0.0000 33939.00  4845.40  ?   ?   286.844   20.949 0.000000 20.94880 
1 1 1  -51    1    7 o  318.554   16.309 41598.19  4204.15 39987.33  5970.47 43182.44  5920.96  310.602   23.856  323.143   22.711 -12.54089 32.93744 
1 1 1  -51    1    8 o  469.813   23.239 91044.05  8865.21 89889.73 12550.40 92193.56 12524.24  461.732   33.709  467.907   33.180 -6.174927 47.29903 
1 1 1  -51    1    9 o  536.378   26.479 119514.80 11532.05 124665.60 16324.04 114383.30 16293.56  540.631   37.417  516.596   39.135 24.03461 54.14379 
1 1 1  -51    1   10 o  432.443   31.578 79127.53 11011.35 79127.53 11011.35   0.0000   0.0000  432.443   31.578  ?   ?  0.000000 31.57812 
1 1 1  -51    1   11 o  255.163   20.110 27049.21  4132.66 27049.21  4132.66   0.0000   0.0000  255.163   20.110  ?   ?  0.000000 20.10977 
1 1 1  -51    1   12 o  316.853   16.244 41397.27  4165.20 41987.51  6020.38 40855.37  5768.64  316.437   23.601  312.410   22.901 4.027130 32.88546 
1 1 1  -51    1   13 o  184.282   17.252 14142.43  2551.42 14142.43  2551.42   0.0000   0.0000  184.282   17.252  ?   ?  0.000000 17.25220 
1 1 1  -51    1   14 o  207.553   11.322 17702.94  1900.79 17702.94  1900.79   0.0000   0.0000  207.553   11.322  ?   ?  0.000000 11.32167 
1 1 1  -51    1   15 o   53.934   9.1921  1223.27  388.115  1223.27  388.115   0.0000   0.0000   53.934   9.1921  ?   ?  0.000000 9.192100 
1 1 1  -51    1   16 o   61.869   9.2888  1606.30  452.215  1606.30  452.215   0.0000   0.0000   61.869   9.2888  ?   ?  0.000000 9.288781 
1 1 1  -51    1   17 o   68.025   9.4118  1944.50  505.925  1944.50  505.925   0.0000   0.0000   68.025   9.4118  ?   ?  0.000000 9.411848 
1 1 1  -51    1   18 o  130.851   9.5938  7142.79  1012.20  7142.79  1012.20   0.0000   0.0000  130.851   9.5938  ?   ?  0.000000 9.593772 
1 1 1  -51    1   19 o   92.253   9.1550  3576.54  676.713  3576.54  676.713   0.0000   0.0000   92.253   9.1550  ?   ?  0.000000 9.155041 
1 1 1  -51    1   20 f   44.232   10.700  861.115  380.113  861.115  380.113   0.0000   0.0000   44.232   10.700  ?   ?  0.000000 10.70020 
1 1 1  -51    1   21 o   99.218   9.8641  4226.53  784.131  4226.53  784.131   0.0000   0.0000   99.218   9.8641  ?   ?  0.000000 9.864071 
1 1 1  -51    1   22 o   85.091   10.423  3185.84  705.056  3185.84  705.056   0.0000   0.0000   85.091   10.423  ?   ?  0.000000 10.42259 
1 1 1  -51    1   23 o   84.593   10.149  3205.74  683.180  3205.74  683.180   0.0000   0.0000   84.593   10.149  ?   ?  0.000000 10.14895 
1 1 1  -51    1   24 o   33.822   11.693  535.845  390.731  535.845  390.731   0.0000   0.0000   33.822   11.693  ?   ?  0.000000 11.69320 
1 1 1  -51    3    1 o  579.770   29.465 139106.80 13825.22 142574.50 19535.96 135627.91 19567.69  581.539   41.649  566.516   42.856 15.02258 59.76022 
1 1 1  -51    3    2 o  319.100   13.393 41487.65  3470.03 40392.63  4154.79 44012.99  6309.54  314.168   16.344  326.539   23.965 -12.37088 29.00718 
1 1 1  -51    3    3 o  410.223   29.138 69857.16  9642.32 69857.16  9642.32   0.0000   0.0000  410.223   29.138  ?   ?  0.000000 29.13786 
1 1 1  -51    3    4 o  735.075   53.155 233899.91 31511.79 233899.91 31511.79   0.0000   0.0000  735.075   53.155  ?   ?  0.000000 53.15468 
1 1 1  -51    3    5 o  281.510   20.976 32677.02  4760.32 32677.02  4760.32   0.0000   0.0000  281.510   20.976  ?   ?  0.000000 20.97648 
1 1 1  -51    3    6 o  245.754   18.857 24879.27  3734.20 24879.27  3734.20   0.0000   0.0000  245.754   18.857  ?   ?  0.000000 18.85749 
1 1 1  -51    3    8 o  513.018   37.099 111782.40 15349.34 111782.40 15349.34   0.0000   0.0000  513.018   37.099  ?   ?  0.000000 37.09855 
1 1 1  -51    3    9 f  217.399   17.791 19517.56  3112.94 19517.56  3112.94   0.0000   0.0000  217.399   17.791  ?   ?  0.000000 17.79077 
1 1 1  -51    3   10 o  389.010   20.142 62547.52  6340.48 57655.43  9090.10 67182.88  8848.36  369.173   30.601  400.244   27.392 -31.07025 41.06961 
1 1 1  -51    3   11 o  465.143   34.376 92792.96 12891.11 92792.96 12891.11   0.0000   0.0000  465.143   34.376  ?   ?  0.000000 34.37582 
1 1 1  -51    3   12 o  252.291   10.968 25998.34  2246.86 27064.22  4034.86 25519.24  2705.09  255.006   19.638  249.231   13.417 5.775131 23.78341 
1 1 1  -51    3   13 o  151.393   8.2762  9370.71  1013.51  8718.04  1952.23  9611.53  1185.84  144.363   16.979  153.152   9.5842 -8.788483 19.49740 
1 1 1  -51    3   14 o  149.826   8.2977  9188.00  1005.51 10388.27  1951.68  8754.29  1173.19  157.853   15.424  145.972   9.9578 11.88098 18.35926 
1 1 1  -51    3   15 o  234.075   10.877 22512.27  2067.34 20396.21  3705.58 23468.54  2491.05  218.333   21.168  238.077   12.935 -19.74332 24.80746 
1 1 1  -51    3   16 o  206.550   9.9301 17567.13  1665.40 18406.92  3099.25 17226.19  1974.73  207.092   18.631  203.549   12.001 3.543350 22.16149 
1 1 1  -51    3   17 o  204.420   9.9858 17295.01  1657.47 16525.13  3028.30 17624.28  1980.44  193.934   19.495  205.202   11.938 -11.26807 22.85991 
1 1 1  -51    3   18 o  140.935   7.1329  8186.13  813.591  7342.95  1125.97  9107.31  1176.90  132.273   10.572  147.689   9.8710 -15.41631 14.46402 
1 1 1  -51    3   19 o  131.576   7.0718  7158.72  752.746  6863.23  1027.47  7501.06  1105.94  127.675   9.9909  133.363   10.293 -5.688187 14.34430 
1 1 1  -51    3   20 o   36.742   9.8974  588.841  301.897  963.084  388.113   15.481  480.390   46.839   10.468   27.694   11.891 19.14549 15.84244 
1 1 1  -51    3   21 o   13.094   6.3551 -351.8285  211.587 -676.1605  290.226   16.121  309.126   13.757   6.8250   22.437   9.5838 -8.680101 11.76563 
1 1 1  -51    3   22 o   29.832   9.5563  380.207  261.948  334.893  354.857  434.464  388.300   29.945   11.052   32.731   11.631 -2.785364 16.04414 
1 1 1  -51    3   23 o   33.487   9.9423  508.298  289.948  291.874  392.310  768.829  430.433   29.244   11.420   40.312   12.147 -11.06775 16.67240 
1 1 1  -51    3   24 f   24.630   9.5653  210.597  274.050  295.252  369.038  106.514  409.197   28.246   11.064   25.689   11.001 2.557350 15.60203 
1 1 1  -51    5    1 o  409.694   21.586 68967.36  7155.44 68967.36  7155.44   0.0000   0.0000  409.694   21.586  ?   ?  0.000000 21.58605 
1 1 1  -51    5    2 o  428.136   24.610 75587.67  8519.40 75587.67  8519.40   0.0000   0.0000  428.136   24.610  ?   ?  0.000000 24.61045 
1 1 1  -51    5    3 o  285.118   21.267 33503.59  4887.92 33503.59  4887.92   0.0000   0.0000  285.118   21.267  ?   ?  0.000000 21.26654 
1 1 1  -51    5    4 o  390.829   28.221 63439.34  8895.54 63439.34  8895.54   0.0000   0.0000  390.829   28.221  ?   ?  0.000000 28.22134 
1 1 1  -51    5    5 o  229.239   18.083 21633.17  3338.60 21633.17  3338.60   0.0000   0.0000  229.239   18.083  ?   ?  0.000000 18.08334 
1 1 1  -51    5    6 o  180.193   15.455 13359.36  2239.37 13359.36  2239.37   0.0000   0.0000  180.193   15.455  ?   ?  0.000000 15.45518 
1 1 1  -51    5    7 f  365.301   18.212 54684.93  5401.88 55492.32  7746.49 53920.69  7536.65  365.265   26.295  360.143   25.947 5.121338 36.94140 
1 1 1  -51    5    8 o  577.493   23.174 137667.09 10866.30 135703.70 18959.74 138627.50 13260.19  561.662   41.875  577.171   28.295 -15.50854 50.53795 
1 1 1  -51    5    9 o  365.803   15.290 54769.58  4541.44 48906.61  8003.15 57554.15  5515.45  340.899   29.195  374.368   18.144 -33.46832 34.37386 
1 1 1  -51    5   10 o  170.145   8.1191 11783.66  1121.67 13915.04  2103.55 10936.88  1325.89  183.867   14.200  163.502   10.036 20.36536 17.38847 
1 1 1  -51    5   11 f  100.101   9.5914  4121.99  770.029  5292.71  1215.15  3336.41  995.401  112.926   13.521   89.170   14.226 23.75648 19.62679 
1 1 1  -51    5   12 o   22.379   9.3757   30.657  286.422  364.612  895.316  -7.4176  302.309   42.534   17.047   22.249   9.4897 20.28522 19.51010 
1 1 1  -51    5   13 o  344.232   14.127 48706.53  3948.46 55686.90  6992.96 45439.57  4784.04  363.273   23.840  330.814   17.877 32.45920 29.79802 
1 1 1  -51    5   14 o  380.012   15.333 59723.45  4731.05 70097.84  8351.91 54821.61  5740.96  404.471   25.562  361.488   19.633 42.98322 32.23170 
1 1 1  -51    5   15 o  109.532   7.8117  4927.67  690.191  3431.87  1547.98  5298.81  771.076   88.012   21.779  113.498   8.4272 -25.48510 23.35304 
1 1 1  -51    5   16 o  204.971   10.027 17320.23  1668.72 18754.75  3121.17 16746.05  1974.64  208.752   18.609  200.475   12.189 8.277298 22.24553 
1 1 1  -51    5   17 o   79.028   9.2336  2612.62  581.331  1697.02  1352.43  2820.13  643.846   63.227   21.761   81.980   9.8708 -18.75368 23.89463 
1 1 1  -51    5   18 o   93.723   8.8541  3668.62  665.819  3291.03  1568.35  3751.63  735.377   83.175   22.623   94.520   9.7203 -11.34569 24.62321 
1 1 1  -51    5   19 o   10.793   5.4622 -819.5150  236.764 -301.3575  1223.65 -839.6686  241.324   40.168   18.035   10.872   5.5039 29.29600 18.85592 
1 1 1  -51    5   20 o  102.656   9.1700  4457.69  756.302  4159.33  1647.74  4537.32  851.269   90.669   22.491  103.036   10.314 -12.36775 24.74261 
1 1 1  -51    5   21 o   14.347   6.8032 -248.4528  212.751 -353.4635  270.832 -79.2229  343.812   15.719   7.5161   22.035   9.7461 -6.316023 12.30763 
1 1 1  -51    5   22 o  122.833   7.9415  6418.67  787.818  8107.56  1048.08  4224.85  1194.52  136.797   9.4946   92.914   16.435 43.88325 18.98015 
1 1 1  -51    5   23 o   59.796   8.1216  1565.57  384.118  1529.04  490.024  1623.79  618.630   57.503   10.894   57.519   13.481 -0.1683807E-01 17.33243 
1 1 1  -51    5   24 o   34.830   10.286  579.598  311.000  859.659  395.510  125.923  503.389   41.733   11.365   27.791   12.053 13.94237 16.56606 
1 1 1  -51    7    2 o  567.884   42.334 136683.59 19380.03   0.0000   0.0000 136683.59 19380.03  ?   ?   567.884   42.334 0.000000 42.33386 
1 1 1  -51    7    3 o  488.571   24.969 98521.24  9872.18 98206.46 13562.15 98876.02 14398.07  484.121   34.732  484.838   36.850 -0.7164917 50.63806 
1 1 1  -51    7    4 o  100.961   12.104  4211.64  972.435  4211.64  972.435   0.0000   0.0000  100.961   12.104  ?   ?  0.000000 12.10354 
1 1 1  -51    7    5 o  531.438   38.215 119445.60 16380.26 119445.60 16380.26   0.0000   0.0000  531.438   38.215  ?   ?  0.000000 38.21545 
1 1 1  -51    7    6 o  130.751   13.302  7045.31  1392.51  7045.31  1392.51   0.0000   0.0000  130.751   13.302  ?   ?  0.000000 13.30159 
1 1 1  -51    7    7 o  230.843   9.9286 21697.84  1860.99 22205.18  3367.92 21474.85  2232.81  232.069   18.015  229.183   12.041 2.886078 21.66805 
1 1 1  -51    7    8 o  265.690   13.620 28908.53  2928.43   0.0000   0.0000 28908.53  2928.43  ?   ?   265.690   13.620 0.000000 13.62018 
1 1 1  -51    7    9 o  594.448   24.236 146572.09 11698.11 133142.30 20404.70 153147.30 14277.45  550.008   46.116  604.826   29.072 -54.81726 54.51493 
1 1 1  -51    7   10 o  317.540   12.665 41210.15  3265.32 52085.13  5824.36 36225.26  3943.32  354.588   20.314  296.602   16.438 57.98538 26.13188 
1 1 1  -51    7   11 o  251.668   10.963 25861.27  2240.26 26391.16  4046.83 25627.14  2690.05  251.836   19.954  249.844   13.308 1.991608 23.98482 
1 1 1  -51    7   12 o  459.341   18.038 87202.77  6727.49 107073.10 11797.56 77627.77  8189.53  501.202   29.115  430.145   23.537 71.05676 37.43910 
1 1 1  -51    7   13 o   42.350   11.001  761.301  381.687  1289.61  1046.38  680.217  409.932   57.207   19.147   40.370   11.777 16.83676 22.47947 
1 1 1  -51    7   14 o  103.111   7.8599  4364.53  653.092  1256.29  1449.93  5155.66  731.501   60.395   22.330  112.083   8.0922 -51.68785 23.75117 
1 1 1  -51    7   15 o  170.812   9.0404 11996.22  1249.38 13998.37  2412.21 11262.22  1460.55  182.007   16.502  164.997   10.964 17.00983 19.81239 
1 1 1  -51    7   16 o  133.503   8.6789  7356.94  935.682  6717.52  1899.19  7561.89  1075.23  123.496   19.594  135.035   9.8751 -11.53860 21.94193 
1 1 1  -51    7   17 o  137.367   9.0533  7828.78  1004.11  5894.68  2016.20  8466.70  1157.93  112.783   22.801  142.520   10.071 -29.73696 24.92574 
1 1 1  -51    7   18 o   66.452   11.434  1903.45  594.695  3074.35  1428.65  1658.04  654.054   80.612   21.450   61.305   13.504 19.30723 25.34718 
1 1 1  -51    7   19 o   33.220   12.936  322.833  502.231  269.700  1372.66  331.046  539.650   46.719   20.081   34.092   13.372 12.62777 24.12606 
1 1 1  -51    7   20 o   95.453   10.185  3902.80  777.214  4414.44  1836.06  3791.11  857.864   91.423   24.312   93.378   11.562 -1.954720 26.92155 
1 1 1  -51    7   21 o   18.705   8.8557 -387.7846  357.632 -2937.4441  1553.55 -245.1079  367.502   31.805   15.780   20.610   9.4941 11.19437 18.41621 
1 1 1  -51    7   22 o   47.209   14.882  1076.40  637.201  1315.50  1869.45  1044.97  677.789   53.759   23.271   46.573   15.404 7.185875 27.90766 
1 1 1  -51    7   23 o   34.325   13.454  462.605  546.057  2183.11  1660.10  253.869  578.234   56.279   22.973   31.613   13.287 24.66560 26.53841 
1 1 1  -51    7   24 o   32.518   13.179  428.926  541.589   0.0000   0.0000  428.926  541.589  ?   ?    32.518   13.179 0.000000 13.17852 
1 1 1  -51    9    1 o  406.569   31.511 68997.74 10321.10   0.0000   0.0000 68997.74 10321.10  ?   ?   406.569   31.511 0.000000 31.51076 
1 1 1  -51    9    2 o  406.671   31.756 69103.46 10402.62   0.0000   0.0000 69103.46 10402.62  ?   ?   406.671   31.756 0.000000 31.75555 
1 1 1  -51    9    3 o  372.390   19.544 56972.50  5888.73 53569.39  7976.31 61049.62  8730.55  358.955   27.578  383.106   28.266 -24.15131 39.49033 
1 1 1  -51    9    4 o  495.121   35.790 103256.00 14291.25 103256.00 14291.25   0.0000   0.0000  495.121   35.790  ?   ?  0.000000 35.78950 
1 1 1  -51    9    5 f  365.606   26.903 55615.03  7930.24 55615.03  7930.24   0.0000   0.0000  365.606   26.903  ?   ?  0.000000 26.90271 
1 1 1  -51    9    6 o  140.301   10.188  8057.72  1152.71  2506.44  1737.72 12419.92  1540.41   78.239   24.562  174.260   10.942 -96.02065 26.88929 
1 1 1  -51    9    7 o  311.600   17.082 39903.53  4305.40 31158.21  6190.77 48095.28  5991.63  272.165   28.434  340.949   21.756 -68.78384 35.80254 
1 1 1  -51    9    8 o  377.835   18.703 58676.63  5737.79   0.0000   0.0000 58676.63  5737.79  ?   ?   377.835   18.703 0.000000 18.70271 
1 1 1  -51    9    9 o  297.799   12.630 36232.13  3053.89 35803.96  5464.90 36426.55  3682.53  293.015   23.158  297.784   15.282 -4.769196 27.74604 
1 1 1  -51    9   10 o   51.393   7.6847  1098.74  310.836  1061.12  875.121  1104.18  332.518   52.307   17.511   51.436   8.2400 0.8710861 19.35239 
1 1 1  -51    9   11 o  372.485   15.423 57014.48  4664.65 55472.54  8242.44 57741.02  5657.87  361.326   28.321  373.816   18.640 -12.48996 33.90498 
1 1 1  -51    9   12 o  320.274   13.295 42088.29  3457.37 45965.88  6166.74 40310.73  4175.30  330.458   23.128  312.124   16.534 18.33401 28.43051 
1 1 1  -51    9   13 o  133.822   8.1747  7333.98  883.992  4452.62  1899.13  8130.94  998.790  100.718   23.630  140.842   8.7774 -40.12411 25.20739 
1 1 1  -51    9   14 o  141.620   8.3340  8227.59  954.104  9754.84  1953.70  7749.27  1093.35  152.258   16.044  137.135   9.8854 15.12350 18.84532 
1 1 1  -51    9   15 o   99.025   8.7736  4054.42  698.136  3815.46  1529.00  4117.37  784.710   92.514   20.853   99.569   9.8347 -7.055252 23.05611 
1 1 1  -51    9   16 o  157.029   9.2150 10202.00  1169.79  9235.20  2321.34 10531.09  1354.33  144.273   20.384  159.095   10.544 -14.82179 22.94916 
1 1 1  -51    9   17 o  129.638   9.5107  7002.52  994.129  2809.36  2003.88  8371.45  1144.96   77.538   26.495  141.608   10.023 -64.07011 28.32689 
1 1 1  -51    9   18 o   55.027   13.173  1340.00  580.761 -193.0911  1444.57  1635.56  634.278   44.619   19.844   60.866   13.213 -16.24657 23.84050 
1 1 1  -51    9   19 o  116.488   9.5473  5727.34  895.096  7158.73  2023.52  5379.12  998.051  122.145   21.170  112.119   11.109 10.02583 23.90796 
1 1 1  -51    9   20 o  139.522   10.285  8330.42  1156.98  9772.20  2437.29  7911.02  1314.53  139.217   22.315  134.595   12.160 4.621735 25.41303 
1 1 1  -51    9   21 o   30.255   12.626  163.063  516.568  1038.45  1768.66   81.425  540.119   53.346   22.859   29.625   12.661 23.72077 26.13090 
1 1 1  -51    9   22 o   32.845   13.242  333.539  543.750  1812.23  1621.16  146.101  577.185   56.255   22.800   30.747   13.113 25.50772 26.30178 
1 1 1  -51    9   23 o   42.707   15.730  933.166  718.283 -1734.7000  2186.78  1255.81  760.477   38.464   19.020   47.980   16.322 -9.516350 25.06303 
1 1 1  -51    9   24 o   32.066   14.144  270.657  719.214   0.0000   0.0000  270.657  719.214  ?   ?    32.066   14.144 0.000000 14.14358 
1 1 1  -51   11    1 o  378.932   30.254 59965.62  9230.85   0.0000   0.0000 59965.62  9230.85  ?   ?   378.932   30.254 0.000000 30.25363 
1 1 1  -51   11    2 o  651.476   49.098 183702.00 25780.75   0.0000   0.0000 183702.00 25780.75  ?   ?   651.476   49.098 0.000000 49.09791 
1 1 1  -51   11    3 o  134.629   23.160  7665.46  2440.47   0.0000   0.0000  7665.46  2440.47  ?   ?   134.629   23.160 0.000000 23.16043 
1 1 1  -51   11    4 o  522.573   38.495 115992.90 16219.06 115992.90 16219.06   0.0000   0.0000  522.573   38.495  ?   ?  0.000000 38.49543 
1 1 1  -51   11    5 o   69.290   7.0602  1972.27  391.668  5095.05  705.939  583.504  470.772  111.651   7.8366   38.808   12.838 72.84343 15.04094 
1 1 1  -51   11    6 o  198.037   11.904 16051.56  1905.33 13891.77  2837.98 17823.92  2570.87  182.887   19.408  208.197   15.315 -25.31023 24.72293 
1 1 1  -51   11    7 o  228.420   13.484 21390.49  2489.74 16505.99  3645.71 25659.60  3408.32  198.537   23.044  249.596   16.918 -51.05859 28.58711 
1 1 1  -51   11    8 o  407.722   29.651 70116.34  9749.06   0.0000   0.0000 70116.34  9749.06  ?   ?   407.722   29.651 0.000000 29.65131 
1 1 1  -51   11    9 o  224.686   10.379 20591.17  1893.52 16435.26  3514.05 22291.56  2247.75  197.928   22.251  233.310   11.905 -35.38182 25.23583 
1 1 1  -51   11   10 o  198.000   9.4888 15986.25  1525.52 15250.45  2895.10 16269.07  1794.92  191.272   18.888  199.273   11.138 -8.001328 21.92721 
1 1 1  -51   11   11 o  272.924   11.178 30454.56  2477.02 37110.23  4507.40 27574.89  2964.84  298.855   18.668  258.777   14.164 40.07776 23.43357 
1 1 1  -51   11   12 o   84.672   7.9390  2948.62  539.443  7741.61  1266.29  1885.93  596.253  137.000   11.490   66.954   11.375 70.04594 16.16758 
1 1 1  -51   11   13 o  132.149   8.0292  7156.40  857.459  9409.63  1806.50  6501.13  974.193  150.034   15.031  125.667   9.6205 24.36682 17.84621 
1 1 1  -51   11   14 o   51.405   10.046  1122.36  404.295  1807.63  1192.72  1033.40  429.737   65.083   20.336   49.142   11.039 15.94114 23.13894 
1 1 1  -51   11   15 o  102.819   8.4553  4369.97  699.635  4271.91  1603.49  4393.02  777.552   97.581   20.869  102.873   9.4130 -5.292099 22.89399 
1 1 1  -51   11   16 o  175.053   9.4759 12706.84  1341.87 14604.05  2668.56 12064.78  1552.42  182.765   18.225  169.800   11.325 12.96507 21.45722 
1 1 1  -51   11   17 o  149.782   9.4493  9351.96  1143.31  7985.74  2238.54  9834.12  1329.84  131.333   21.753  153.019   10.772 -21.68559 24.27430 
1 1 1  -51   11   18 o  130.805   9.4236  7177.67  994.167  7144.94  2199.46  7186.08  1114.52  121.452   23.149  130.319   10.625 -8.866859 25.47062 
1 1 1  -51   11   19 o   73.675   12.130  2383.10  700.386  891.499  1794.68  2651.09  760.706   55.409   23.354   77.623   12.493 -22.21403 26.48587 
1 1 1  -51   11   20 o   84.422   11.327  3125.22  756.847  2176.18  1746.25  3344.72  839.826   64.682   24.388   86.856   12.248 -22.17397 27.29089 
1 1 1  -51   11   21 o  136.864   10.788  8230.43  1189.12  3537.38  2516.36  9579.73  1349.28   71.275   28.574  147.080   11.387 -75.80437 30.75924 
1 1 1  -51   11   22 o   84.900   14.157  3495.04  941.554  3439.40  2084.10  3509.31  1055.40   66.996   26.278   82.999   16.242 -16.00278 30.89220 
1 1 1  -51   11   23 o   32.112   13.722  276.816  634.216  1880.75  1928.98   82.421  671.550   50.337   22.619   30.452   13.537 19.88494 26.36045 
1 1 1  -51   13    1 o  480.455   37.107 97778.19 14363.69   0.0000   0.0000 97778.19 14363.69  ?   ?   480.455   37.107 0.000000 37.10678 
1 1 1  -51   13    2 o  569.971   43.616 139671.09 20032.26   0.0000   0.0000 139671.09 20032.26  ?   ?   569.971   43.616 0.000000 43.61621 
1 1 1  -51   13    3 o  489.142   38.334 101879.10 15103.06   0.0000   0.0000 101879.10 15103.06  ?   ?   489.142   38.334 0.000000 38.33381 
1 1 1  -51   13    4 o  203.748   12.188 16991.34  2007.09 11181.12  3576.36 19662.68  2424.98  161.772   28.255  219.013   13.705 -57.24051 31.40373 
1 1 1  -51   13    5 o  297.518   17.094 36400.73  4112.15 30858.22  6092.92 41037.28  5572.75  270.829   28.117  314.700   21.946 -43.87082 35.66795 
1 1 1  -51   13    6 o  389.782   20.855 62810.63  6576.35 56977.55  9506.68 68163.45  9106.92  366.602   32.266  403.252   27.987 -36.64966 42.71239 
1 1 1  -51   13    7 o  169.439   11.587 11770.58  1584.56  8581.38  2412.52 14190.17  2101.36  142.602   21.504  185.726   14.038 -43.12332 25.68046 
1 1 1  -51   13    8 o  620.809   46.597 171778.00 23316.91   0.0000   0.0000 171778.00 23316.91  ?   ?   620.809   46.597 0.000000 46.59664 
1 1 1  -51   13    9 o  446.664   22.008 82885.38  7981.72 91726.95 11456.44 74545.73 11126.51  464.133   30.571  416.506   33.175 47.62735 45.11294 
1 1 1  -51   13   10 o  168.311   8.0106 11541.61  1094.74 18723.32  2302.27  9443.35  1244.44  213.298   13.361  151.748   10.158 61.55020 16.78395 
1 1 1  -51   13   11 o  414.272   17.106 71019.94  5754.00 71807.88 10258.74 70658.28  6950.19  406.651   31.310  410.820   20.905 -4.168152 37.64749 
1 1 1  -51   13   12 o  249.481   11.436 25544.12  2316.62 23782.28  4381.02 26227.97  2729.43  235.831   23.178  251.957   13.390 -16.12624 26.76797 
1 1 1  -51   13   13 o  139.619   8.4593  8005.50  954.471  8104.40  2096.70  7979.65  1071.99  137.287   19.345  139.176   9.5437 -1.888550 21.57148 
1 1 1  -51   13   14 o  210.237   10.419 18231.32  1778.54 18061.62  3464.96 18292.03  2072.38  203.350   21.302  209.633   12.228 -6.283447 24.56180 
1 1 1  -51   13   15 o   18.247   8.8857 -747.8506  423.110 -1113.6550  1290.08 -703.7603  447.883   36.913   17.269   19.402   9.3756 17.51052 19.64966 
1 1 1  -51   13   16 o  244.106   11.621 24952.13  2303.30 26367.59  4426.48 24426.58  2697.21  239.788   23.018  239.590   13.925 0.1983643 26.90191 
1 1 1  -51   13   17 o   96.289   9.5842  3898.21  739.364  3181.06  1957.99  4017.48  798.481   80.156   26.166   97.534   10.235 -17.37821 28.09652 
1 1 1  -51   13   18 o  130.121   9.7178  7139.58  1019.32  6719.42  2381.72  7233.80  1127.82  113.894   26.288  130.449   10.743 -16.55547 28.39837 
1 1 1  -51   13   19 o   66.084   14.181  1990.88  738.135  297.447  1977.47  2265.03  795.643   52.244   23.227   70.491   14.388 -18.24747 27.32220 
1 1 1  -51   13   20 o   23.635   11.170 -553.7718  564.555 -2022.1429  1885.27 -409.1258  591.708   39.063   18.961   25.585   11.877 13.47820 22.37398 
1 1 1  -51   13   21 o   99.357   14.852  4718.98  1161.41  3108.19  2346.65  5241.54  1336.59   66.459   27.242  103.016   16.539 -36.55650 31.86921 
1 1 1  -51   13   22 o   50.992   16.351  1396.47  766.747 -997.0187  2548.02  1634.79  804.013   43.510   21.320   54.886   16.616 -11.37579 27.02956 
1 1 1  -51   13   23 o   20.492   10.010 -781.9789  548.846 -2010.7670  2664.26 -727.5213  560.876   38.179   19.196   21.122   10.273 17.05723 21.77219 
1 1 1  -51   15    1 o  226.367   23.869 21394.46  4321.14   0.0000   0.0000 21394.46  4321.14  ?   ?   226.367   23.869 0.000000 23.86949 
1 1 1  -51   15    2 o  620.867   48.088 168886.80 24053.34   0.0000   0.0000 168886.80 24053.34  ?   ?   620.867   48.088 0.000000 48.08828 
1 1 1  -51   15    3 o  201.802   12.965 16693.63  2113.23   0.0000   0.0000 16693.63  2113.23  ?   ?   201.802   12.965 0.000000 12.96549 
1 1 1  -51   15    4 o  168.848   10.233 11659.40  1396.33 10605.34  2670.64 12055.94  1638.06  159.035   21.210  171.499   11.836 -12.46408 24.28918 
1 1 1  -51   15    5 o  308.249   17.208 39121.48  4289.69 37950.26  6445.47 40052.76  5747.42  300.662   26.679  310.234   22.980 -9.572296 35.21147 
1 1 1  -51   15    6 o  196.017   12.796 15767.80  2025.41 14416.31  3172.00 16698.13  2631.76  185.556   21.449  201.097   16.257 -15.54134 26.91324 
1 1 1  -51   15    7 o  190.642   12.459 14918.39  1917.96 14050.82  2974.39 15535.88  2509.34  183.311   20.326  193.872   16.086 -10.56119 25.92089 
1 1 1  -51   15    8 o  201.155   13.334 16641.22  2165.49 12845.13  3312.95 19472.97  2861.36  173.909   24.110  216.999   16.360 -43.08989 29.13655 
1 1 1  -51   15    9 o  318.519   17.877 42049.59  4604.72 37998.31  6744.18 45587.45  6302.35  298.227   28.185  329.170   23.739 -30.94281 36.85061 
1 1 1  -51   15   10 o  115.094   7.7664  5423.69  721.544  5266.52  1812.81  5453.28  786.531  110.608   20.952  115.319   8.4590 -4.710442 22.59513 
1 1 1  -51   15   11 o  135.611   9.7762  7563.20  1069.26  9078.32  1991.07  6949.16  1267.54  146.882   17.010  129.485   12.200 17.39723 20.93231 
1 1 1  -51   15   12 o  155.546   8.7873  9935.08  1105.28 11947.13  2446.98  9419.35  1238.86  167.674   18.269  151.153   10.153 16.52103 20.90064 
1 1 1  -51   15   13 o   33.996   11.688  437.977  390.118 -1557.2230  1304.63  633.898  408.824   35.066   16.691   39.008   11.857 -3.942196 20.47407 
1 1 1  -51   15   14 o  277.053   12.984 32091.79  2920.83 29372.62  5570.52 33122.83  3430.18  251.503   27.740  279.642   15.164 -28.13904 31.61355 
1 1 1  -51   15   15 o   53.968   11.950  1263.93  509.840  2632.00  1628.90  1115.35  536.812   75.499   23.793   50.553   13.004 24.94621 27.11459 
1 1 1  -51   15   16 o  116.752   9.4578  5699.22  888.877  4513.09  2447.14  5879.50  954.039   93.691   29.105  118.389   10.019 -24.69775 30.78078 
1 1 1  -51   15   17 o  112.704   10.195  5369.17  922.862  4307.21  2352.18  5562.38  1003.31   89.843   28.621  114.395   10.935 -24.55193 30.63897 
1 1 1  -51   15   18 o  107.922   10.205  4963.76  883.675  8953.02  2420.55  4350.32  949.189  134.070   23.067  100.126   11.909 33.94415 25.95993 
1 1 1  -51   15   19 o   26.055   11.845 -252.3895  547.579  1054.52  1670.93 -409.6297  579.585   54.247   22.679   25.385   11.774 28.86238 25.55347 
1 1 1  -51   15   20 o   23.568   11.027 -423.4232  526.437 -257.3199  1856.08 -437.9544  548.982   45.466   21.082   24.056   11.257 21.41070 23.89914 
1 1 1  -51   15   21 o   61.407   16.932  1983.33  871.523 -265.9688  2766.46  2231.16  918.281   48.627   23.449   65.059   17.143 -16.43220 29.04666 
1 1 1  -51   15   22 o   26.454   12.670 -669.2202  776.856 -696.5948  2855.04 -667.0314  807.316   43.740   21.647   27.031   12.938 16.70905 25.21920 
1 1 1  -51   17    1 o  193.678   24.281 15777.41  3734.57   0.0000   0.0000 15777.41  3734.57  ?   ?   193.678   24.281 0.000000 24.28136 
1 1 1  -51   17    2 o  114.281   28.160  5667.37  2596.12   0.0000   0.0000  5667.37  2596.12  ?   ?   114.281   28.160 0.000000 28.16010 
1 1 1  -51   17    3 o  336.918   19.722 46927.20  5371.74   0.0000   0.0000 46927.20  5371.74  ?   ?   336.918   19.722 0.000000 19.72193 
1 1 1  -51   17    4 o  288.219   14.975 34120.86  3492.33 30783.78  6429.30 35517.59  4159.46  269.043   29.939  293.449   17.537 -24.40662 34.69687 
1 1 1  -51   17    5 o  467.467   21.354 90469.91  8105.27 75475.81 14214.36 97694.14  9866.50  413.259   42.990  483.324   25.229 -70.06509 49.84626 
1 1 1  -51   17    6 o  162.125   12.585 10813.81  1643.69  8222.28  2724.60 12296.66  2060.97  138.284   25.194  172.523   14.857 -34.23924 29.24846 
1 1 1  -51   17    7 o  186.493   12.924 14309.59  1944.98 13925.33  3144.87 14547.60  2475.12  181.777   21.738  187.288   16.442 -5.511429 27.25646 
1 1 1  -51   17    8 o  161.691   11.980 10761.99  1561.62 13457.93  2664.51  9351.46  1927.32  179.335   18.567  149.795   16.099 29.54016 24.57466 
1 1 1  -51   17    9 o  305.590   17.628 38864.01  4355.53 36772.18  6501.62 40567.13  5866.52  292.022   27.754  309.326   23.534 -17.30338 36.38840 
1 1 1  -51   17   10 o  233.012   14.812 22549.70  2787.94 20516.61  4284.26 24042.99  3671.71  217.939   24.643  238.897   19.088 -20.95808 31.17137 
1 1 1  -51   17   11 o   21.897   9.5349 -56.7821  317.550 -478.5536  1272.92 -28.7921  327.917   41.245   18.465   22.743   9.7958 18.50199 20.90241 
1 1 1  -51   17   12 o  207.497   10.297 17738.11  1734.81 16517.91  3542.23 18123.13  1989.77  193.655   22.976  208.957   11.776 -15.30272 25.81740 
1 1 1  -51   17   13 o  118.643   8.6490  5817.78  827.458  5462.32  2072.40  5885.20  902.520  108.916   24.074  119.141   9.4060 -10.22485 25.84651 
1 1 1  -51   17   14 o   28.195   11.412  150.848  405.618 -1396.9850  1536.04  266.871  420.546   39.536   18.606   30.757   11.876 8.779140 22.07295 
1 1 1  -51   17   15 o   22.420   10.221 -247.0848  411.367 -98.2486  1618.68 -257.3612  425.332   48.160   21.231   22.764   10.384 25.39531 23.63468 
1 1 1  -51   17   16 o  128.436   9.2101  6902.19  954.099 13621.70  2526.61  5784.65  1030.39  173.994   18.151  116.777   10.996 57.21677 21.22232 
1 1 1  -51   17   17 o   72.929   11.370  2308.20  651.344  3274.18  2153.39  2210.92  683.354   78.537   27.434   70.968   12.305 7.568573 30.06703 
1 1 1  -51   17   18 o   38.213   14.216  546.667  589.462  2556.85  2133.72  380.575  613.331   69.467   26.771   35.837   14.192 33.63004 30.29977 
1 1 1  -51   17   19 o   53.193   14.888  1341.62  668.422  4274.28  2410.72  1097.39  695.699   80.337   28.933   48.401   15.581 31.93555 32.86182 
1 1 1  -51   17   20 o   60.502   18.928  1972.61  1032.94  1462.66  2742.58  2056.90  1115.04   56.697   26.050   61.146   19.730 -4.449020 32.67849 
1 1 1  -51   17   21 o   48.576   17.336  1285.61  863.575 -235.0229  2956.99  1427.40  902.939   47.138   23.069   50.583   17.759 -3.444656 29.11330 
1 1 1  -51   17   22 o   27.664   13.290 -642.2393  869.049  1157.18  3135.74 -791.9492  904.479   45.730   22.642   27.405   13.262 18.32507 26.24015 
1 1 1  -51   19    1 o  415.685   34.849 74280.60 11653.62   0.0000   0.0000 74280.60 11653.62  ?   ?   415.685   34.849 0.000000 34.84851 
1 1 1  -51   19    2 o  284.383   17.278 33388.32  3970.85   0.0000   0.0000 33388.32  3970.85  ?   ?   284.383   17.278 0.000000 17.27841 
1 1 1  -51   19    3 o  205.161   14.891 17352.80  2463.76   0.0000   0.0000 17352.80  2463.76  ?   ?   205.161   14.891 0.000000 14.89143 
1 1 1  -51   19    4 o  282.293   15.960 32861.52  3643.29 26088.54  6896.25 35483.73  4290.98  243.721   35.926  292.723   18.143 -49.00189 40.24712 
1 1 1  -51   19    5 f  207.428   13.106 17697.57  2195.98 13675.81  4156.20 19255.13  2586.49  177.217   29.951  216.014   14.837 -38.79675 33.42440 
1 1 1  -51   19    6 o  176.634   14.583 12911.21  2072.76  6474.07  3554.30 16228.56  2551.55  120.349   34.556  197.802   16.024 -77.45383 38.09044 
1 1 1  -51   19    7 o  179.213   16.603 13390.49  2388.49   0.0000   0.0000 13390.49  2388.49  ?   ?   179.213   16.603 0.000000 16.60261 
1 1 1  -51   19    8 o  164.405   13.481 11205.24  1783.74  8394.23  3105.44 12589.32  2179.07  137.054   28.820  173.736   15.614 -36.68175 32.77759 
1 1 1  -51   19    9 o   48.571   15.037  977.803  653.875  1231.49  1655.06  930.882  711.780   62.071   23.661   48.159   15.779 13.91162 28.43959 
1 1 1  -51   19   10 o  126.327   12.867  6670.85  1301.43  7020.90  2388.39  6523.02  1552.08  125.372   24.340  124.025   15.769 1.346970 29.00132 
1 1 1  -51   19   11 o  186.331   9.6056 14320.66  1448.34 14480.65  3289.36 14282.19  1613.12  180.998   22.894  185.716   10.743 -4.717697 25.28943 
1 1 1  -51   19   12 o   65.081   9.2202  1777.93  473.603  677.360  1700.42  1870.48  493.116   56.201   23.131   66.752   9.3549 -10.55114 24.95094 
1 1 1  -51   19   13 o  119.210   9.0361  5898.43  868.146  2543.51  2509.20  6354.65  925.292   77.465   29.228  123.686   9.2811 -46.22072 30.66587 
1 1 1  -51   19   14 o   20.205   9.3179 -268.0986  355.373 -1350.9449  1819.34 -225.1448  362.353   43.789   20.492   20.987   9.5775 22.80167 22.62006 
1 1 1  -51   19   15 o  107.457   9.3858  4842.83  810.706  3400.84  2367.90  5034.30  862.853   81.911   28.759  109.414   9.8168 -27.50256 30.38839 
1 1 1  -51   19   16 o  100.627   9.9696  4292.83  803.853  2685.01  2409.30  4494.23  852.715   73.738   28.438  102.813   10.356 -29.07429 30.26521 
1 1 1  -51   19   17 o  100.788   10.446  4359.21  842.477  3534.28  2680.92  4449.60  887.434   78.009   30.023  101.583   10.931 -23.57333 31.95121 
1 1 1  -51   19   18 o  125.678   10.655  6848.26  1077.06  5321.11  3193.75  7044.23  1144.08   85.044   32.758  127.052   11.205 -42.00845 34.62155 
1 1 1  -51   19   19 o   65.644   20.176  2346.64  1179.54  1024.36  2956.65  2596.92  1286.34   56.817   26.434   68.251   21.085 -11.43329 33.81334 
1 1 1  -51   19   20 o   48.921   17.918  1266.94  930.126  1758.43  2637.84  1197.15  993.968   54.648   25.266   47.985   18.326 6.662445 31.21217 
1 1 1  -51   19   21 o   60.781   19.721  2399.76  1112.82  5348.90  3673.04  2101.70  1167.70   58.134   27.764   55.883   20.136 2.250542 34.29676 
1 1 1  -51   21    1 o   88.538   12.747  3276.90  889.991   0.0000   0.0000  3276.90  889.991  ?   ?    88.538   12.747 0.000000 12.74745 
1 1 1  -51   21    2 o   58.114   15.068  1441.52  716.939   0.0000   0.0000  1441.52  716.939  ?   ?    58.114   15.068 0.000000 15.06779 
1 1 1  -51   21    3 o  345.331   20.414 49855.46  5698.58   0.0000   0.0000 49855.46  5698.58  ?   ?   345.331   20.414 0.000000 20.41397 
1 1 1  -51   21    4 o  193.812   13.817 15523.94  2160.10 13725.31  4601.11 16032.45  2446.48  174.854   33.629  196.546   15.454 -21.69241 37.01006 
1 1 1  -51   21    5 o  319.573   18.618 42678.02  4810.21 28211.60  8956.77 48541.59  5702.33  241.392   47.389  339.723   20.772 -98.33066 51.74159 
1 1 1  -51   21    6 o  127.634   14.263  6807.06  1452.84   0.0000   0.0000  6807.06  1452.84  ?   ?   127.634   14.263 0.000000 14.26275 
1 1 1  -51   21    7 o   66.173   14.924  1885.85  782.773 -552.8474  1974.39  2340.67  852.648   52.114   23.187   73.911   14.725 -21.79668 27.46755 
1 1 1  -51   21    8 o   34.486   13.644  278.058  566.383 -984.4914  1774.41  421.286  597.646   46.410   21.185   37.486   14.235 8.924572 25.52331 
1 1 1  -51   21    9 o   27.859   12.242 -127.3099  534.239 -1375.3719  1648.55   19.141  564.715   42.093   19.635   30.570   13.003 11.52211 23.55032 
1 1 1  -51   21   10 o   74.022   26.854  2229.73  2082.01  2229.73  2082.01   0.0000   0.0000   74.022   26.854  ?   ?  0.000000 26.85405 
1 1 1  -51   21   11 o   86.625   15.446  3260.64  1046.58  3260.74  2269.72  3260.61  1179.46   84.136   28.200   85.903   17.504 -1.766876 33.19065 
1 1 1  -51   21   12 o   76.044   8.6412  2413.78  524.081  5445.31  2326.24  2251.68  537.910  106.043   26.958   73.267   9.2479 32.77535 28.50016 
1 1 1  -51   21   13 o   65.485   9.8597  1819.44  508.005  5919.17  2656.76  1663.86  517.554  107.552   29.525   62.360   10.601 45.19207 31.37014 
1 1 1  -51   21   14 o  109.519   9.3678  5027.91  825.023  2158.99  2760.75  5309.25  864.529   72.885   29.674  112.492   9.5555 -39.60700 31.17427 
1 1 1  -51   21   15 o   90.804   9.9160  3498.80  719.214 -165.1553  2959.81  3728.72  741.437   59.759   27.310   93.781   9.8858 -34.02163 29.04457 
1 1 1  -51   21   16 o  158.990   11.273 10860.24  1445.88  6646.86  3862.98 11546.67  1559.22   96.549   36.299  163.514   11.824 -66.96489 38.17627 
1 1 1  -51   21   17 o   83.090   11.457  3038.69  752.403  2609.64  3075.25  3066.01  775.987   69.087   29.877   83.275   11.807 -14.18851 32.12508 
1 1 1  -51   21   18 o   44.628   18.549  670.524  1108.52  2209.75  3029.19  432.526  1191.14   62.931   28.305   43.196   18.637 19.73545 33.88979 
1 1 1  -51   21   19 o   93.251   20.637  4907.25  1521.23  3797.81  3766.25  5123.54  1662.92   63.165   29.536   92.898   22.323 -29.73264 37.02320 
1 1 1  -51   21   20 o   37.837   17.007  294.918  1091.47 -2310.6660  3581.02  561.763  1146.00   43.634   21.980   40.420   17.840 3.213932 28.30823 
1 1 1  -51   23    1 o  353.452   21.349 52899.62  6098.21   0.0000   0.0000 52899.62  6098.21  ?   ?   353.452   21.349 0.000000 21.34898 
1 1 1  -51   23    2 o  174.067   14.796 12626.45  2071.33   0.0000   0.0000 12626.45  2071.33  ?   ?   174.067   14.796 0.000000 14.79557 
1 1 1  -51   23    3 o  139.174   14.380  8095.90  1601.62   0.0000   0.0000  8095.90  1601.62  ?   ?   139.174   14.380 0.000000 14.38038 
1 1 1  -51   23    4 o  184.790   15.454 14286.21  2297.42   0.0000   0.0000 14286.21  2297.42  ?   ?   184.790   15.454 0.000000 15.45356 
1 1 1  -51   23    5 o  127.873   14.386  6867.24  1467.70   0.0000   0.0000  6867.24  1467.70  ?   ?   127.873   14.386 0.000000 14.38561 
1 1 1  -51   23    6 o  135.087   13.731  7649.01  1485.12  4974.32  3486.79  8241.77  1641.46  103.834   34.952  139.976   14.660 -36.14215 37.90143 
1 1 1  -51   23    7 o   92.241   14.185  3622.61  1028.39  1684.45  2558.23  3996.18  1123.13   73.204   28.986   96.801   14.756 -23.59678 32.52545 
1 1 1  -51   23    8 o   84.583   15.502  3094.11  1025.43  2713.60  2686.72  3158.99  1109.41   81.603   30.352   85.132   16.646 -3.528290 34.61705 
1 1 1  -51   23    9 o   74.526   27.880  2209.93  2273.27  2209.93  2273.27   0.0000   0.0000   74.526   27.880  ?   ?  0.000000 27.87972 
1 1 1  -51   23   10 o   61.823   18.316  1687.08  984.816  669.507  2463.17  1880.69  1074.43   63.702   27.127   65.021   19.095 -1.319221 33.17386 
1 1 1  -51   23   11 o  104.659   15.305  4759.23  1262.15  6003.67  2734.84  4422.45  1422.73  109.088   29.959   99.481   18.287 9.607452 35.09946 
1 1 1  -51   23   12 o  125.233   9.1969  6537.95  928.650  5376.11  3096.34  6652.79  973.463   99.953   32.918  126.198   9.5714 -26.24509 34.28122 
1 1 1  -51   23   13 o  138.154   9.2672  7980.62  1033.54 10124.61  3455.44  7769.97  1083.12  136.966   31.698  136.045   9.8724 0.9209442 33.20012 
1 1 1  -51   23   14 o   63.857   11.773  1783.70  587.942 -1047.0970  3161.24  1885.13  598.382   57.693   27.003   65.739   11.636 -8.045929 29.40385 
1 1 1  -51   23   15 o   78.894   10.054  2671.65  629.399 -737.0892  3400.86  2792.54  640.463   58.823   27.683   80.712   9.9859 -21.88838 29.42913 
1 1 1  -51   23   16 o   82.076   11.142  2952.74  723.313  863.319  3642.00  3038.53  738.015   63.086   29.347   83.244   11.203 -20.15749 31.41238 
1 1 1  -51   23   17 o   85.649   21.832  4024.34  1522.77  7716.21  4008.97  3401.88  1646.14   88.509   35.860   76.036   23.912 12.47383 43.10131 
1 1 1  -51   23   18 o   71.210   22.519  3122.28  1458.21 -4289.0220  4198.25  4139.08  1555.03   47.188   23.773   82.993   22.507 -35.80510 32.73783 
1 1 1  -51   23   19 o   34.081   15.938 -290.6699  1097.38 -7556.0078  4194.38  243.185  1136.98   40.369   20.659   38.178   17.240 2.191875 26.90786 
1 1 1  -51   25    1 o  171.559   16.299 12426.68  2243.20   0.0000   0.0000 12426.68  2243.20  ?   ?   171.559   16.299 0.000000 16.29911 
1 1 1  -51   25    2 o   33.676   13.981  129.639  628.685   0.0000   0.0000  129.639  628.685  ?   ?    33.676   13.981 0.000000 13.98076 
1 1 1  -51   25    3 o  122.293   15.260  6339.31  1482.30   0.0000   0.0000  6339.31  1482.30  ?   ?   122.293   15.260 0.000000 15.25989 
1 1 1  -51   25    4 o  197.521   17.544 16609.04  2784.38   0.0000   0.0000 16609.04  2784.38  ?   ?   197.521   17.544 0.000000 17.54367 
1 1 1  -51   25    5 o  189.186   14.882 15078.35  2267.64 13349.89  5350.93 15456.72  2503.56  160.089   40.989  190.872   16.311 -30.78270 44.11468 
1 1 1  -51   25    6 o  252.614   16.897 27167.85  3445.73 29126.69  7237.33 26593.68  3918.33  240.551   38.341  247.940   19.624 -7.388397 43.07099 
1 1 1  -51   25    7 o  205.327   15.811 17940.18  2615.70  9421.76  5632.48 20282.42  2953.49  128.790   44.403  217.728   16.837 -88.93828 47.48851 
1 1 1  -51   25    8 o  119.925   15.916  6208.96  1511.51  3424.84  3626.50  6794.30  1662.83   88.872   34.718  125.130   16.790 -36.25709 38.56434 
1 1 1  -51   25    9 o   79.559   18.292  2848.39  1156.93  104.796  3143.12  3278.36  1244.28   66.082   29.336   85.394   18.482 -19.31223 34.67213 
1 1 1  -51   25   10 o  163.296   17.325 11703.45  2262.08  4487.57  4544.88 14079.67  2608.08   94.290   38.189  178.531   18.248 -84.24110 42.32459 
1 1 1  -51   25   11 o  149.272   17.009  9853.57  2024.74  6789.90  4319.54 10716.25  2292.15  105.871   38.639  154.501   18.649 -48.62983 42.90344 
1 1 1  -51   25   12 o   62.372   20.552  1785.57  1206.91  3873.09  3373.76  1479.22  1292.44   85.079   33.414   58.669   21.177 26.40972 39.55940 
1 1 1  -51   25   13 f  140.309   9.7586  8309.06  1104.84  3090.85  4048.75  8728.90  1148.42   78.995   34.221  143.746   9.8998 -64.75061 35.62434 
1 1 1  -51   25   14 o   66.505   10.299  1916.47  538.153  4012.84  3369.50  1861.60  545.151   80.410   32.765   65.396   10.632 15.01358 34.44682 
1 1 1  -51   25   15 o   79.577   21.548  3323.55  1426.55  1963.64  3766.72  3551.27  1541.36   67.098   30.718   81.426   22.544 -14.32781 38.10301 
1 1 1  -51   25   16 f   74.157   22.651  3139.28  1489.30  4044.51  4433.26  3024.13  1581.19   70.062   32.520   71.826   23.517 -1.763458 40.13227 
1 1 1  -51   25   17 o   23.409   11.803 -2828.6919  1046.42  4461.31  4460.91 -3253.1880  1076.46   64.733   30.827   22.824   11.562 41.90966 32.92378 
1 1 1  -51   25   18 o   62.943   23.250  2896.50  1571.17  6886.41  5432.61  2532.32  1641.31   60.003   29.725   58.611   23.214 1.391506 37.71578 
1 1 1  -51   27    1 o  197.149   17.859 16663.36  2827.83   0.0000   0.0000 16663.36  2827.83  ?   ?   197.149   17.859 0.000000 17.85908 
1 1 1  -51   27    2 o  216.691   18.226 20177.23  3177.09   0.0000   0.0000 20177.23  3177.09  ?   ?   216.691   18.226 0.000000 18.22645 
1 1 1  -51   27    3 o   76.560   18.593  2607.65  1144.29   0.0000   0.0000  2607.65  1144.29  ?   ?    76.560   18.593 0.000000 18.59286 
1 1 1  -51   27    4 o  221.775   18.895 21321.61  3370.02   0.0000   0.0000 21321.61  3370.02  ?   ?   221.775   18.895 0.000000 18.89479 
1 1 1  -51   27    5 o  172.137   17.704 12832.10  2439.20   0.0000   0.0000 12832.10  2439.20  ?   ?   172.137   17.704 0.000000 17.70396 
1 1 1  -51   27    6 o  125.373   16.197  6805.06  1610.26  5908.42  4732.67  6922.45  1712.42  105.674   40.075  125.987   17.188 -20.31268 43.60593 
1 1 1  -51   27    7 o   80.705   17.891  2922.67  1141.64 -1763.9440  3832.68  3378.98  1195.93   64.167   29.935   87.062   17.524 -22.89518 34.68678 
1 1 1  -51   27    8 o  112.199   17.119  5563.14  1510.14  1324.77  4476.84  6107.33  1604.16   79.175   35.086  117.536   17.329 -38.36131 39.13195 
1 1 1  -51   27    9 o  136.824   18.190  8370.01  1970.74 -647.3964  4880.01 10127.22  2154.22   72.994   33.961  150.838   17.941 -77.84381 38.40826 
1 1 1  -51   27   10 o   88.877   19.738  3689.68  1387.34  3733.05  4262.17  3684.53  1467.25   86.127   36.129   88.209   20.821 -2.081322 41.69915 
1 1 1  -51   27   11 f   97.076   19.728  4442.55  1501.99 -3194.8169  3873.92  5793.75  1629.44   56.862   27.500  112.040   18.561 -55.17760 33.17782 
1 1 1  -51   27   12 o   80.005   20.499  3136.60  1337.69  948.576  3271.27  3575.94  1465.86   65.384   29.411   85.006   21.285 -19.62199 36.30493 
1 1 1  -51   27   13 o  132.225   9.9427  7463.12  1059.66  6010.70  5260.80  7524.54  1081.83   85.458   37.944  132.655   10.120 -47.19680 39.27058 
1 1 1  -51   27   14 o   80.433   22.139  3482.60  1491.47  4373.55  4414.02  3367.76  1584.68   75.333   33.999   77.953   23.266 -2.620483 41.19713 
1 1 1  -51   27   15 o   53.997   21.027  1469.26  1326.97 -4724.9282  4400.63  2088.81  1391.76   49.723   24.955   61.032   21.984 -11.30925 33.25691 
1 1 1  -51   27   16 o   63.041   22.930  2551.57  1519.41 -1067.3920  4914.48  2934.05  1597.69   53.222   26.663   66.694   23.603 -13.47247 35.60925 
1 1 1  -51   27   17 o   56.666   22.684  2327.29  1583.31 -3663.9170  5255.90  2925.24  1660.44   46.717   23.844   61.837   23.669 -15.12054 33.59669 
1 1 1  -51   29    1 o  201.260   19.852 17837.38  3201.87   0.0000   0.0000 17837.38  3201.87  ?   ?   201.260   19.852 0.000000 19.85195 
1 1 1  -51   29    2 o  178.035   19.246 13946.22  2737.87   0.0000   0.0000 13946.22  2737.87  ?   ?   178.035   19.246 0.000000 19.24584 
1 1 1  -51   29    3 o  140.698   18.555  8727.16  2068.00   0.0000   0.0000  8727.16  2068.00  ?   ?   140.698   18.555 0.000000 18.55453 
1 1 1  -51   29    4 o  143.903   17.585  9081.56  2011.97   0.0000   0.0000  9081.56  2011.97  ?   ?   143.903   17.585 0.000000 17.58505 
1 1 1  -51   29    5 o   66.763   19.720  2023.07  1142.99   0.0000   0.0000  2023.07  1142.99  ?   ?    66.763   19.720 0.000000 19.71992 
1 1 1  -51   29    6 o  197.827   39.351 22240.54  6098.41 23262.47  8642.53 21227.11  8606.49  171.530   54.885  161.339   54.909 10.19156 77.63625 
1 1 1  -51   29    7 o  181.471   17.740 14627.93  2580.57 14522.43  6994.95 14644.55  2776.41  136.331   49.258  180.216   19.273 -43.88434 52.89442 
1 1 1  -51   29    8 o  209.491   19.596 20007.70  3294.60 15528.61  8075.53 20902.07  3608.56  128.783   51.338  212.185   21.230 -83.40193 55.55491 
1 1 1  -51   29    9 o   50.354   19.338  934.112  1110.68  3098.91  4583.56  799.070  1144.80   81.560   35.850   49.120   19.409 32.44054 40.76624 
1 1 1  -51   29   10 o   75.622   21.548  2834.20  1387.28 -3188.5149  5066.11  3322.43  1442.42   62.968   30.681   81.971   21.431 -19.00234 37.42478 
1 1 1  -51   29   11 o  104.558   20.316  5348.83  1662.67  2398.43  6028.12  5591.77  1729.76   76.132   36.134  106.591   20.732 -30.45919 41.65932 
1 1 1  -51   29   12 o   68.071   21.951  2435.68  1380.34 -3376.0310  4790.31  2961.94  1441.48   57.363   28.325   74.706   22.166 -17.34327 35.96654 
1 1 1  -51   29   13 o   42.206   18.511  247.696  1216.18  4897.83  4445.50 -128.4910  1264.41   74.558   33.839   39.960   18.101 34.59822 38.37561 
1 1 1  -51   29   14 o   49.418   20.563  1070.60  1364.38 -3736.4021  4870.15  1480.01  1421.30   51.711   25.993   53.521   21.468 -1.810703 33.71268 
1 1 1  -51   29   15 o   49.426   20.942  1252.99  1455.37 -3048.5869  6622.23  1471.30  1491.85   52.397   26.745   51.367   21.449 1.029869 34.28286 
1 1 1  -51   29   16 o   26.973   13.485 -2300.1040  1228.05  2882.45  5696.65 -2552.6841  1257.61   52.206   26.462   26.660   13.375 25.54573 29.65012 
1 1 1  -51   31    1 o  276.284   24.353 35806.77  5407.24   0.0000   0.0000 35806.77  5407.24  ?   ?   276.284   24.353 0.000000 24.35268 
1 1 1  -51   31    2 o  137.109   21.347  8665.29  2299.22   0.0000   0.0000  8665.29  2299.22  ?   ?   137.109   21.347 0.000000 21.34746 
1 1 1  -51   31    3 o  208.987   20.908 19962.81  3500.33   0.0000   0.0000 19962.81  3500.33  ?   ?   208.987   20.908 0.000000 20.90825 
1 1 1  -51   31    4 o  199.800   21.833 18544.56  3484.41   0.0000   0.0000 18544.56  3484.41  ?   ?   199.800   21.833 0.000000 21.83345 
1 1 1  -51   31    5 o  182.382   56.315 29308.72  9177.38   0.0000   0.0000 29308.72  9177.38  ?   ?   182.382   56.315 0.000000 56.31464 
1 1 1  -51   31    6 o   43.162   18.479  197.909  1154.15   0.0000   0.0000  197.909  1154.15  ?   ?    43.162   18.479 0.000000 18.47930 
1 1 1  -51   31    7 o   80.965   21.258  3204.26  1415.36  1099.29  7419.96  3283.74  1441.83   80.639   38.763   81.869   21.437 -1.230003 44.29585 
1 1 1  -51   31    8 o   66.557   21.371  2172.12  1309.44 -996.3345  7207.40  2280.27  1331.60   74.030   36.185   67.984   21.522 6.045731 42.10136 
1 1 1  -51   31    9 o   54.005   20.270  1269.60  1203.58  5716.24  6085.46  1088.58  1227.83   84.500   38.817   52.043   20.237 32.45664 43.77562 
1 1 1  -51   31   10 o   54.011   21.037  1276.01  1328.61  2014.70  5622.09  1232.31  1367.34   71.012   34.031   53.761   21.221 17.25108 40.10545 
1 1 1  -51   31   11 o   44.221   19.222  378.062  1286.22 -7665.2231  5742.81  802.845  1319.75   53.334   26.982   48.255   20.163 5.079498 33.68373 
1 1 1  -51   31   12 o   55.765   22.174  1636.32  1503.09 -5011.2681  7746.42  1896.40  1532.21   58.009   29.547   58.377   22.633 -0.3682480 37.21895 
1 1 1  -51   31   13 f   87.404   25.071  5032.99  1871.75 12125.06  6951.30  4478.59  1943.53   72.347   35.399   79.709   26.072 -7.362144 43.96367 
1 1 1  -51   31   14 o   83.934   26.745  5523.24  2053.76 -2728.2290  8426.80  6044.31  2117.61   51.893   26.700   88.066   27.028 -36.17306 37.99182 
1 1 1  -51   33    1 o  130.526   25.808  8635.60  2638.25   0.0000   0.0000  8635.60  2638.25  ?   ?   130.526   25.808 0.000000 25.80776 
1 1 1  -51   33    2 o  214.931   24.343 22790.81  4173.35   0.0000   0.0000 22790.81  4173.35  ?   ?   214.931   24.343 0.000000 24.34291 
1 1 1  -51   33    3 o  105.521   44.898 10205.15  6736.90   0.0000   0.0000 10205.15  6736.90  ?   ?   105.521   44.898 0.000000 44.89751 
1 1 1  -51   33    4 o   80.493   24.082  3344.76  1696.32   0.0000   0.0000  3344.76  1696.32  ?   ?    80.493   24.082 0.000000 24.08227 
1 1 1  -51   33    5 o  102.074   24.767  5461.08  2031.86   0.0000   0.0000  5461.08  2031.86  ?   ?   102.074   24.767 0.000000 24.76747 
1 1 1  -51   33    6 o   57.670   21.703  1509.45  1381.62   0.0000   0.0000  1509.45  1381.62  ?   ?    57.670   21.703 0.000000 21.70327 
1 1 1  -51   33    7 o   98.344   23.253  5113.78  1827.61 16282.70  9910.48  4720.58  1859.50   94.837   45.378   93.194   24.317 1.643288 51.48285 
1 1 1  -51   33    8 o   56.806   21.786  1550.12  1408.49  8382.13  9021.01  1379.41  1425.98   79.496   39.181   55.075   21.693 24.42109 44.78531 
1 1 1  -51   33    9 o   54.926   21.232  1482.06  1345.33  8796.18  8975.19  1313.95  1360.70   75.278   37.447   53.194   21.115 22.08367 42.98981 
1 1 1  -51   33   10 o   52.913   21.974  1331.83  1553.81 -4310.7500  8661.60  1519.45  1579.43   59.347   30.316   54.639   22.367 4.707493 37.67432 
1 1 1  -51   33   11 o   38.117   17.816 -381.3748  1367.83  5838.59  8600.24 -542.7961  1385.47   62.637   31.828   37.444   17.636 25.19267 36.38769 
1 1 1  -51   33   12 o   58.313   22.959  2349.30  1596.50 -7166.1108  9560.23  2622.27  1619.24   51.617   26.640   60.858   23.355 -9.241287 35.42801 
1 1 1  -51   35    1 o  126.785   29.521  9489.54  2982.27   0.0000   0.0000  9489.54  2982.27  ?   ?   126.785   29.521 0.000000 29.52067 
1 1 1  -51   35    2 o  106.571   30.073  7031.90  2715.60   0.0000   0.0000  7031.90  2715.60  ?   ?   106.571   30.073 0.000000 30.07258 
1 1 1  -51   35    3 o  156.817   28.406 14244.66  3483.76   0.0000   0.0000 14244.66  3483.76  ?   ?   156.817   28.406 0.000000 28.40602 
1 1 1  -51   35    4 o  107.854   27.311  6879.65  2394.18   0.0000   0.0000  6879.65  2394.18  ?   ?   107.854   27.311 0.000000 27.31107 
1 1 1  -51   35    5 o   55.923   22.419  1469.80  1549.05   0.0000   0.0000  1469.80  1549.05  ?   ?    55.923   22.419 0.000000 22.41909 
1 1 1  -51   35    6 o   68.679   25.117  2868.11  1826.66   0.0000   0.0000  2868.11  1826.66  ?   ?    68.679   25.117 0.000000 25.11707 
1 1 1  -51   35    7 o   71.863   24.157  3183.43  1665.60   0.0000   0.0000  3183.43  1665.60  ?   ?    71.863   24.157 0.000000 24.15691 
1 1 1  -51   35    8 o   74.420   25.851  3814.03  1910.83 10397.25 13599.28  3681.44  1929.98   64.885   33.411   72.825   25.924 -7.939903 42.28866 
1 1 1  -51   35    9 f   48.381   21.470  960.751  1682.03 -8114.7808 12806.76  1120.05  1696.73   55.491   28.741   49.510   21.786 5.981018 36.06467 
1 1 1  -50    0    1 o  291.666   24.403 35450.68  5686.12   0.0000   0.0000 35450.68  5686.12  291.666   24.403  291.666   24.403 -0.000000 0.000000 
1 1 1  -50    0    2 o  373.166   29.534 58055.46  8819.85   0.0000   0.0000 58055.46  8819.85  373.166   29.534  373.166   29.534 -0.000000 0.000000 
1 1 1  -50    0    4 o  381.558   27.220 60435.00  8334.59 60435.00  8334.59   0.0000   0.0000  381.558   27.220  381.558   27.220 0.000000 0.000000 
1 1 1  -50    0    5 f  644.447   45.541 174672.91 23556.94   0.0000   0.0000 174672.91 23556.94  644.447   45.541  644.447   45.541 -0.000000 0.000000 
1 1 1  -50    0    7 o   11.170   7.8275 -283.2486  267.639 -283.2486  267.639   0.0000   0.0000   11.170   7.8275   11.170   7.8275 0.000000 0.000000 
1 1 1  -50    0    8 o   11.908   8.4949 -542.8482  365.944   0.0000   0.0000 -542.8482  365.944   11.908   8.4949   11.908   8.4949 -0.000000 0.000000 
1 1 1  -50    0    9 o  218.802   17.724 19893.72  3101.24   0.0000   0.0000 19893.72  3101.24  218.802   17.724  218.802   17.724 -0.000000 0.000000 
1 1 1  -50    0   10 o   29.268   16.478  463.290  595.613   0.0000   0.0000  463.290  595.613   29.268   16.478   29.268   16.478 -0.000000 0.000000 
1 1 1  -50    0   15 o  291.720   21.502 35579.69  5029.60   0.0000   0.0000 35579.69  5029.60  291.720   21.502  291.720   21.502 0.000000 0.000000 
1 1 1  -50    0   16 o   65.943   12.893  1964.54  614.818   0.0000   0.0000  1964.54  614.818   65.943   12.893   65.943   12.893 0.000000 0.000000 
1 1 1  -50    0   17 o   65.217   11.779  1897.54  563.314   0.0000   0.0000  1897.54  563.314   65.217   11.779   65.217   11.779 0.000000 0.000000 
1 1 1  -50    0   18 o  120.138   11.748  6079.51  1120.84   0.0000   0.0000  6079.51  1120.84  120.138   11.748  120.138   11.748 0.000000 0.000000 
1 1 1  -50    0   19 o  107.083   11.357  4858.71  962.093  4858.71  962.093   0.0000   0.0000  107.083   11.357  107.083   11.357 -0.000000 0.000000 
1 1 1  -50    0   20 o  145.075   12.986  8890.97  1501.51  8890.97  1501.51   0.0000   0.0000  145.075   12.986  145.075   12.986 -0.000000 0.000000 
1 1 1  -50    0   21 o  187.166   15.415 14924.01  2306.09   0.0000   0.0000 14924.01  2306.09  187.166   15.415  187.166   15.415 0.000000 0.000000 
1 1 1  -50    0   22 o   24.595   13.395  358.108  378.718  358.108  378.718   0.0000   0.0000   24.595   13.395   24.595   13.395 -0.000000 0.000000 
1 1 1  -50    0   23 o   13.569   9.2515 -177.7686  315.038 -177.7686  315.038   0.0000   0.0000   13.569   9.2515   13.569   9.2515 -0.000000 0.000000 
1 1 1  -50    0   24 o   23.960   13.319  341.648  383.139  341.648  383.139   0.0000   0.0000   23.960   13.319   23.960   13.319 -0.000000 0.000000 
1 1 1  -50    0   25 o   22.691   13.001  297.958  379.599   0.0000   0.0000  297.958  379.599   22.691   13.001   22.691   13.001 0.000000 0.000000 
1 1 1  -50    2    1 o  178.950   12.944 13108.79  1868.06 12620.01  2616.32 13617.10  2668.10  174.761   18.730  181.669   18.339 -6.908524 26.21268 
1 1 1  -50    2    2 o  246.035   15.177 24776.11  3017.18 28982.60  3601.26 14870.22  5526.39  265.956   16.762  185.679   37.937 80.27681 41.47551 
1 1 1  -50    2    3 o  314.838   22.620 40854.92  5744.09 40854.92  5744.09   0.0000   0.0000  314.838   22.620  ?   ?  0.000000 22.62040 
1 1 1  -50    2    4 f  397.696   28.291 65601.23  9076.08 65601.23  9076.08   0.0000   0.0000  397.696   28.291  ?   ?  0.000000 28.29112 
1 1 1  -50    2    5 o  205.874   16.281 17415.15  2699.33 17415.15  2699.33   0.0000   0.0000  205.874   16.281  ?   ?  0.000000 16.28074 
1 1 1  -50    2    6 f  143.293   13.268  8441.95  1526.16  8441.95  1526.16   0.0000   0.0000  143.293   13.268  ?   ?  0.000000 13.26760 
1 1 1  -50    2    8 o  500.287   36.031 105887.00 14538.43 105887.00 14538.43   0.0000   0.0000  500.287   36.031  ?   ?  0.000000 36.03111 
1 1 1  -50    2    9 o  285.918   21.654 33872.30  4989.72 33872.30  4989.72   0.0000   0.0000  285.918   21.654  ?   ?  0.000000 21.65364 
1 1 1  -50    2   10 o  187.996   10.493 14450.31  1595.37 16199.42  2393.06 13051.05  2140.40  198.397   14.965  177.959   14.951 20.43713 21.15436 
1 1 1  -50    2   11 o  289.779   22.285 34988.25  5203.23 34988.25  5203.23   0.0000   0.0000  289.779   22.285  ?   ?  0.000000 22.28486 
1 1 1  -50    2   12 o  422.073   16.276 73248.67  5577.81 81797.09  9779.17 69126.59  6790.76  440.138   27.502  408.008   20.564 32.13007 34.33970 
1 1 1  -50    2   13 o  346.297   18.118 49716.28  5076.68 49808.08  7213.46 49626.19  7146.02  342.844   26.109  342.330   25.900 0.5144958 36.77634 
1 1 1  -50    2   14 o  236.560   13.617 23085.31  2604.43 22872.88  3693.04 23295.50  3673.48  233.478   19.664  235.755   19.361 -2.277222 27.59541 
1 1 1  -50    2   15 o   95.673   7.5493  3758.63  581.690  3938.68  651.070  3046.31  1294.98   97.844   8.2727   83.577   19.448 14.26637 21.13441 
1 1 1  -50    2   16 o  118.375   8.0456  5763.48  768.725  5958.00  887.934  5181.42  1535.96  120.135   9.1720  109.427   17.906 10.70802 20.11880 
1 1 1  -50    2   17 f  157.348   8.7298 10221.48  1110.95 10283.57  1297.39 10050.81  2150.99  157.350   10.210  152.179   17.741 5.170517 20.46892 
1 1 1  -50    2   18 o  139.944   8.2586  8105.63  934.263  7526.24  1071.92  9936.86  1905.67  134.269   9.9020  151.416   15.730 -17.14638 18.58702 
1 1 1  -50    2   19 o   36.813   10.728  581.399  340.318  542.022  351.513  1170.23  1359.30   35.810   11.015   55.728   21.395 -19.91829 24.06435 
1 1 1  -50    2   20 o   42.711   10.742  801.977  372.151  1015.48  385.670 -2084.4189  1418.04   48.241   10.167   33.489   16.299 14.75172 19.20985 
1 1 1  -50    2   21 o   28.954   11.096  265.941  365.167  315.361  376.616 -510.0154  1492.33   30.254   11.342   41.572   19.143 -11.31728 22.25097 
1 1 1  -50    2   22 o   30.675   11.149  360.631  359.133  289.177  368.537  1707.39  1599.97   29.254   11.162   57.763   22.907 -28.50940 25.48136 
1 1 1  -50    2   23 o   32.513   12.011  426.195  419.280  375.282  427.378  1731.66  2164.09   31.587   12.028   55.107   24.409 -23.52054 27.21102 
1 1 1  -50    2   24 o   56.061   12.365  1551.46  547.733  1551.46  547.733   0.0000   0.0000   56.061   12.365  ?   ?  0.000000 12.36503 
1 1 1  -50    2   25 o   23.813   10.368   75.164  375.408   75.164  375.408   0.0000   0.0000   23.813   10.368  ?   ?  0.000000 10.36820 
1 1 1  -50    4    1 o  551.176   30.221 125844.70 13473.45 125844.70 13473.45   0.0000   0.0000  551.176   30.221  ?   ?  0.000000 30.22107 
1 1 1  -50    4    2 o  182.049   11.821 13548.40  1737.83 13548.40  1737.83   0.0000   0.0000  182.049   11.821  ?   ?  0.000000 11.82056 
1 1 1  -50    4    3 o  614.307   43.744 159903.00 21676.81 159903.00 21676.81   0.0000   0.0000  614.307   43.744  ?   ?  0.000000 43.74394 
1 1 1  -50    4    4 o  835.857   61.381 307847.09 41367.20 307847.09 41367.20   0.0000   0.0000  835.857   61.381  ?   ?  0.000000 61.38095 
1 1 1  -50    4    5 o  166.693   14.469 11418.99  1938.89 11418.99  1938.89   0.0000   0.0000  166.693   14.469  ?   ?  0.000000 14.46863 
1 1 1  -50    4    6 o  221.019   17.561 20105.44  3125.56 20105.44  3125.56   0.0000   0.0000  221.019   17.561  ?   ?  0.000000 17.56121 
1 1 1  -50    4    7 o  436.297   30.974 79631.91 10901.53   0.0000   0.0000 79631.91 10901.53  ?   ?   436.297   30.974 0.000000 30.97407 
1 1 1  -50    4    8 o  398.735   19.873 65300.43  6433.93 65348.80  9185.00 65253.85  9015.28  395.412   28.806  395.331   28.272 0.8081055E-01 40.36221 
1 1 1  -50    4    9 f   72.672   6.4471  2163.87  376.475  3865.69  884.495  1787.34  416.044   96.697   11.490   65.808   7.9471 30.88934 13.97076 
1 1 1  -50    4   10 o  230.088   10.006 21573.40  1869.34 24123.91  3378.58 20448.13  2244.15  241.812   17.322  223.442   12.418 18.36926 21.31376 
1 1 1  -50    4   11 o  274.330   14.426 30908.14  3202.05 35319.11  4598.90 26757.73  4461.00  291.961   19.512  253.249   21.910 38.71193 29.33888 
1 1 1  -50    4   12 o  387.441   15.625 61679.23  4915.32 68840.91  8639.64 58251.76  5976.89  404.050   26.481  374.713   19.714 29.33743 33.01305 
1 1 1  -50    4   13 o  269.155   11.669 29644.41  2550.23 29947.62  4543.37 29504.92  3081.46  267.389   21.098  267.645   14.231 -0.2559814 25.44859 
1 1 1  -50    4   14 o  485.551   19.568 98370.56  7714.55 106426.60 13495.92 94460.73  9402.05  490.877   34.071  471.535   24.642 19.34207 42.04879 
1 1 1  -50    4   15 o   74.695   8.2868  2307.75  494.121  830.134  1108.13  2674.46  552.041   51.309   19.408   80.427   8.5860 -29.11844 21.22224 
1 1 1  -50    4   16 o  180.797   9.4853 13472.50  1387.60 13274.60  2648.66 13547.36  1629.04  175.661   18.866  180.785   11.152 -5.123764 21.91526 
1 1 1  -50    4   17 o  207.073   10.316 17759.87  1734.46 17036.45  3208.89 18058.46  2061.57  196.421   20.418  207.620   12.284 -11.19850 23.82850 
1 1 1  -50    4   18 o  112.183   6.7692  5184.38  613.712  5646.12  836.142  4645.12  903.620  116.490   8.9076  104.999   10.751 11.49066 13.96132 
1 1 1  -50    4   19 o  112.196   8.7746  5261.04  792.996  3942.84  1644.71  5660.29  905.156   90.152   22.531  116.039   9.6956 -25.88765 24.52870 
1 1 1  -50    4   20 o  138.978   7.3783  8028.73  829.630  8286.55  1147.00  7745.87  1201.44  139.751   10.178  134.549   11.096 5.201981 15.05721 
1 1 1  -50    4   21 o  109.763   7.3378  5043.44  650.206  5948.35  870.987  3904.33  977.213  118.289   9.1392   93.367   13.263 24.92210 16.10686 
1 1 1  -50    4   22 o   56.374   7.8929  1365.40  351.380  1357.17  458.883  1377.07  546.329   55.037   10.654   54.539   12.592 0.4982719 16.49406 
1 1 1  -50    4   23 o   82.514   7.5135  2923.84  497.876  3175.32  661.192  2594.53  756.624   84.442   9.8272   73.817   13.104 10.62529 16.37929 
1 1 1  -50    4   24 f   64.213   8.4754  1847.17  431.095  2542.73  571.744  930.699  656.284   74.468   9.6849   41.993   15.099 32.47479 17.93827 
1 1 1  -50    6    1 o  175.044   14.887 12583.61  2095.81 12583.61  2095.81   0.0000   0.0000  175.044   14.887  ?   ?  0.000000 14.88706 
1 1 1  -50    6    2 o  301.600   14.775 37094.56  3618.28 38587.85  4354.03 33761.57  6504.83  306.839   17.549  284.659   28.527 22.18030 33.49259 
1 1 1  -50    6    3 o  681.838   49.069 199275.70 26984.14 199275.70 26984.14   0.0000   0.0000  681.838   49.069  ?   ?  0.000000 49.06851 
1 1 1  -50    6    4 o  102.993   12.094  4379.43  992.098  4379.43  992.098   0.0000   0.0000  102.993   12.094  ?   ?  0.000000 12.09352 
1 1 1  -50    6    5 o  439.275   31.614 80588.41 11200.75 80588.41 11200.75   0.0000   0.0000  439.275   31.614  ?   ?  0.000000 31.61448 
1 1 1  -50    6    6 o  156.115   14.298 10028.50  1792.28 10028.50  1792.28   0.0000   0.0000  156.115   14.298  ?   ?  0.000000 14.29797 
1 1 1  -50    6    7 o  154.766   8.0079  9767.73  1002.86  4559.59  1881.57 11834.37  1185.25  103.233   23.032  170.341   8.5972 -67.10847 24.58454 
1 1 1  -50    6    8 o  424.786   20.869 74242.45  7197.81   0.0000   0.0000 74242.45  7197.81  ?   ?   424.786   20.869 0.000000 20.86855 
1 1 1  -50    6    9 o  201.877   9.0101 16592.00  1476.91 18720.42  2714.99 15697.43  1760.13  213.248   15.792  195.906   11.111 17.34236 19.30920 
1 1 1  -50    6   10 o  485.509   19.182 97075.41  7562.06 105881.90 13231.02 92803.13  9215.57  499.337   32.816  472.193   24.117 27.14465 40.72470 
1 1 1  -50    6   11 o  488.760   19.226 98588.15  7629.85 112432.70 13346.55 91867.11  9299.22  513.625   32.165  468.840   24.513 44.78552 40.44071 
1 1 1  -50    6   12 f  216.180   9.7260 19066.08  1707.22 22991.13  3123.63 17394.17  2038.65  235.785   16.418  205.834   12.253 29.95110 20.48658 
1 1 1  -50    6   13 o  386.868   15.631 61675.34  4909.97 70296.52  8651.41 57579.13  5963.40  406.788   26.334  371.638   19.834 35.14948 32.96761 
1 1 1  -50    6   14 o  187.218   9.1575 14323.08  1392.07 17742.29  2626.38 12987.20  1641.64  206.485   15.785  177.593   11.445 28.89151 19.49751 
1 1 1  -50    6   15 o  238.742   11.049 23443.97  2141.94 23004.37  3911.63 23632.23  2559.83  231.788   21.012  238.673   13.261 -6.884674 24.84711 
1 1 1  -50    6   16 o  170.078   9.1626 11925.66  1260.67 10368.65  2370.75 12539.52  1488.58  154.528   19.317  173.974   10.588 -19.44656 22.02827 
1 1 1  -50    6   17 o  106.999   8.9546  4754.25  770.824  462.514  1618.65  6012.99  876.605   53.037   22.257  120.394   9.0331 -67.35749 24.02061 
1 1 1  -50    6   18 o  173.133   9.6981 12497.26  1357.86 12985.26  2594.71 12313.22  1593.47  170.339   19.088  170.919   11.550 -0.5799713 22.31059 
1 1 1  -50    6   19 o  104.834   9.2410  4616.71  778.566  3348.25  1755.62  4927.25  868.656   81.769   24.508  108.018   10.018 -26.24892 26.47610 
1 1 1  -50    6   20 o  148.466   9.7090  9326.31  1163.96 10173.12  2244.10  9014.66  1361.41  146.902   19.279  144.652   11.691 2.249039 22.54714 
1 1 1  -50    6   21 o   98.312   10.282  4177.44  808.598  3028.48  1941.90  4418.44  889.367   72.724   25.991  100.664   11.063 -27.94037 28.24810 
1 1 1  -50    6   22 o   32.598   12.403  384.496  454.283  958.094  1729.83  342.005  470.809   51.351   22.307   32.075   12.515 19.27531 25.57778 
1 1 1  -50    6   23 o   45.905   14.730  1057.22  622.140  387.873  1637.22  1170.18  672.593   44.228   20.250   47.872   15.311 -3.644005 25.38616 
1 1 1  -50    6   24 o   25.913   11.354   53.392  456.524   0.0000   0.0000   53.392  456.524  ?   ?    25.913   11.354 0.000000 11.35369 
1 1 1  -50    8    1 o  177.790   18.943 13073.04  2692.54   0.0000   0.0000 13073.04  2692.54  ?   ?   177.790   18.943 0.000000 18.94337 
1 1 1  -50    8    2 o   33.930   13.825  172.632  599.792   0.0000   0.0000  172.632  599.792  ?   ?    33.930   13.825 0.000000 13.82456 
1 1 1  -50    8    3 o  200.976   13.304 16535.09  2158.79 18049.32  2775.38 14215.55  3435.01  209.579   16.441  184.556   23.452 25.02263 28.64111 
1 1 1  -50    8    4 f  179.860   15.417 13303.01  2229.78 13303.01  2229.78   0.0000   0.0000  179.860   15.417  ?   ?  0.000000 15.41727 
1 1 1  -50    8    5 f  119.198   12.701  5856.69  1210.35  5856.69  1210.35   0.0000   0.0000  119.198   12.701  ?   ?  0.000000 12.70125 
1 1 1  -50    8    6 o  478.540   24.160 94679.51  9357.39 89398.16 13333.67 99804.84 13135.26  459.941   35.990  487.418   33.391 -27.47705 49.09422 
1 1 1  -50    8    7 o  560.035   27.713 130243.80 12601.79 128292.10 17915.83 132154.91 17728.88  547.592   40.583  556.562   39.487 -8.970764 56.62352 
1 1 1  -50    8    8 o  244.267   12.656 24415.45  2501.46   0.0000   0.0000 24415.45  2501.46  ?   ?   244.267   12.656 0.000000 12.65561 
1 1 1  -50    8    9 o   28.603   8.9194  330.107  229.582  1602.57  775.857  207.997  240.345   61.379   15.550   25.074   9.1198 36.30534 18.02665 
1 1 1  -50    8   10 o  120.324   6.9525  5909.12  676.359 10513.10  1382.40  4460.16  775.521  160.188   10.690  104.221   9.2608 55.96643 14.14324 
1 1 1  -50    8   11 o  174.643   8.4518 12424.68  1198.49 16307.93  2302.60 10981.72  1403.61  198.947   14.351  163.691   10.618 35.25697 17.85150 
1 1 1  -50    8   12 o  407.425   16.236 68371.50  5371.00 80702.34  9447.71 62483.29  6528.62  436.571   26.782  387.174   20.844 49.39691 33.93707 
1 1 1  -50    8   13 o  141.066   8.1149  8141.10  925.571 10364.95  1861.33  7410.56  1066.82  157.995   14.677  134.315   9.8507 23.68040 17.67615 
1 1 1  -50    8   14 o  174.848   9.0735 12533.67  1283.74 12652.89  2468.74 12489.49  1502.91  173.325   17.794  174.213   10.676 -0.8873901 20.75137 
1 1 1  -50    8   15 o  485.531   20.242 100496.90  7979.96 108371.80 13987.94 96697.33  9716.18  478.926   36.239  469.076   25.607 9.849976 44.37313 
1 1 1  -50    8   16 o  256.973   11.852 27438.52  2472.91 25824.13  4443.26 28162.98  2976.50  240.986   22.986  258.690   14.225 -17.70506 27.03203 
1 1 1  -50    8   17 f   89.285   9.7160  3338.73  693.007 -334.3008  1536.82  4276.25  776.429   45.741   20.397  101.213   9.5610 -55.47134 22.52639 
1 1 1  -50    8   18 o   34.621   12.598  428.857  458.699 -325.6359  1309.91  534.306  489.705   41.788   18.718   37.269   13.079 4.519608 22.83462 
1 1 1  -50    8   19 o   99.383   10.095  4187.08  803.333  5898.51  1768.55  3742.17  901.726  111.897   20.209   92.986   12.241 18.91076 23.62709 
1 1 1  -50    8   20 o  140.951   9.8945  8442.55  1125.22  8309.41  2398.42  8480.12  1274.15  127.105   24.122  140.342   11.277 -13.23649 26.62738 
1 1 1  -50    8   21 o   32.617   13.301  258.583  555.774 -3995.9790  1684.20  778.497  588.753   30.822   15.465   42.119   14.361 -11.29700 21.10452 
1 1 1  -50    8   22 o   57.214   13.148  1545.46  597.994 -213.1683  1664.91  1805.93  640.751   43.026   19.956   61.973   13.141 -18.94695 23.89426 
1 1 1  -50    8   23 o   39.244   14.494  718.385  610.548  1471.96  2080.87  647.399  638.657   51.146   23.189   38.229   14.668 12.91702 27.43880 
1 1 1  -50    8   24 o   24.619   11.339 -173.0422  523.909   0.0000   0.0000 -173.0422  523.909  ?   ?    24.619   11.339 0.000000 11.33905 
1 1 1  -50   10    1 o  519.393   39.026 113892.90 16338.00   0.0000   0.0000 113892.90 16338.00  ?   ?   519.393   39.026 0.000000 39.02570 
1 1 1  -50   10    4 o  141.681   14.621  8280.01  1657.81  8280.01  1657.81   0.0000   0.0000  141.681   14.621  ?   ?  0.000000 14.62086 
1 1 1  -50   10    5 o  604.638   29.466 151953.80 14465.99 155629.50 20607.57 148383.00 20311.65  603.236   42.341  588.648   42.789 14.58832 60.19684 
1 1 1  -50   10    6 o  101.181   8.6187  4195.46  701.321  1891.42  1105.01  5749.55  907.528   67.119   19.266  118.467   9.5149 -51.34753 21.48774 
1 1 1  -50   10    7 o  565.927   29.232 133936.91 13386.45 117561.30 19031.28 149972.80 18832.88  519.378   45.589  592.013   39.403 -72.63513 60.25784 
1 1 1  -50   10    8 o  285.111   14.950 33353.91  3448.77   0.0000   0.0000 33353.91  3448.77  ?   ?   285.111   14.950 0.000000 14.94953 
1 1 1  -50   10    9 o   16.605   6.8579   29.743  150.133 -1978.5740  734.949  117.197  153.367   21.021   10.498   19.496   7.2517 1.524940 12.75902 
1 1 1  -50   10   10 o  207.663   9.7004 17581.90  1635.64 17620.01  3040.97 17566.39  1940.19  205.986   18.375  207.068   11.586 -1.080948 21.72250 
1 1 1  -50   10   11 o  124.335   7.7915  6320.30  782.623  3572.42  1593.89  7193.28  898.379   90.924   21.859  132.607   8.3868 -41.68344 23.41269 
1 1 1  -50   10   12 o  411.970   16.491 70044.94  5516.50 80596.66  9741.72 65064.17  6693.02  434.723   27.743  394.567   20.966 40.15518 34.77463 
1 1 1  -50   10   13 o  207.411   9.7541 17592.10  1642.70 20144.60  3114.74 16608.57  1933.45  219.508   17.624  200.834   11.910 18.67393 21.27097 
1 1 1  -50   10   14 o   98.507   7.9482  3990.44  630.320  3839.98  1459.36  4024.94  698.869   93.759   19.791   98.793   8.8045 -5.033882 21.66112 
1 1 1  -50   10   15 o  179.289   9.6461 13259.04  1399.09 10417.02  2676.32 14327.79  1641.20  153.726   22.075  185.990   10.915 -32.26439 24.62607 
1 1 1  -50   10   16 o  294.105   13.229 36268.73  3159.17 34842.93  5713.65 36896.57  3791.44  275.448   25.849  294.178   15.932 -18.72986 30.36472 
1 1 1  -50   10   17 o  149.221   9.3814  9261.57  1130.88  6378.09  2289.07 10192.57  1300.70  115.384   25.143  156.185   10.315 -40.80059 27.17684 
1 1 1  -50   10   18 o  130.940   9.6393  7186.72  1017.64  6908.14  2106.30  7271.54  1162.29  120.674   22.319  131.089   11.022 -10.41432 24.89182 
1 1 1  -50   10   19 o  194.672   10.747 16083.06  1692.10 17020.88  3304.66 15749.81  1969.93  187.956   22.074  190.943   12.780 -2.986450 25.50646 
1 1 1  -50   10   20 o   39.753   13.954  651.516  557.466  1841.30  1702.84  508.695  589.977   62.051   23.915   37.537   14.170 24.51475 27.79752 
1 1 1  -50   10   21 o   69.930   13.498  2256.79  738.664  4392.23  2021.93  1927.89  793.513   84.551   26.487   63.321   15.548 21.22968 30.71286 
1 1 1  -50   10   22 o   82.541   15.371  3347.80  992.283  2719.22  2322.90  3488.10  1097.45   62.345   26.439   82.810   16.894 -20.46548 31.37569 
1 1 1  -50   10   23 o   52.226   16.804  1527.51  809.254 -61.5270  1941.86  1861.49  890.244   42.242   20.178   56.963   17.531 -14.72134 26.72985 
1 1 1  -50   10   24 o   23.053   11.218 -769.3008  670.869   0.0000   0.0000 -769.3008  670.869  ?   ?    23.053   11.218 0.000000 11.21775 
1 1 1  -50   12    1 o  349.873   28.608 51034.82  8056.09   0.0000   0.0000 51034.82  8056.09  ?   ?   349.873   28.608 0.000000 28.60828 
1 1 1  -50   12    2 o  158.856   21.879 10558.87  2747.26   0.0000   0.0000 10558.87  2747.26  ?   ?   158.856   21.879 0.000000 21.87945 
1 1 1  -50   12    3 o  297.825   26.641 36973.03  6374.47   0.0000   0.0000 36973.03  6374.47  ?   ?   297.825   26.641 0.000000 26.64132 
1 1 1  -50   12    4 o  325.447   18.878 43576.21  4967.10 34741.29  7334.60 51060.56  6750.74  286.758   32.049  351.055   23.824 -64.29718 39.93406 
1 1 1  -50   12    5 o   82.233   8.4249  2779.94  554.596  2475.15  958.027  2933.56  680.150   76.385   15.961   84.272   10.144 -7.886795 18.91148 
1 1 1  -50   12    6 o   89.944   8.9875  3325.62  647.580  1873.76  1049.89  4217.17  822.725   66.627   18.663  101.248   10.144 -34.62031 21.24152 
1 1 1  -50   12    7 o  123.321   9.6903  6232.76  962.500  4846.17  1470.73  7271.49  1272.95  107.336   17.477  132.970   11.917 -25.63436 21.15277 
1 1 1  -50   12    8 o  312.642   23.294 40738.80  5870.77   0.0000   0.0000 40738.80  5870.77  ?   ?   312.642   23.294 0.000000 23.29359 
1 1 1  -50   12    9 o  456.223   17.322 85615.77  6416.64 101144.70 11356.15 78332.63  7777.12  489.605   28.691  434.075   22.139 55.52969 36.23981 
1 1 1  -50   12   10 o  170.078   8.3374 11784.18  1151.37 14586.02  2293.85 10840.53  1331.21  187.886   15.165  162.683   10.128 25.20218 18.23629 
1 1 1  -50   12   11 o  215.156   9.9117 18900.44  1731.56 19579.35  3278.08 18637.70  2039.28  216.634   18.823  213.079   11.833 3.554733 22.23385 
1 1 1  -50   12   12 o   61.471   9.0518  1575.45  438.270  1742.03  1354.77  1555.98  463.176   65.764   21.780   60.971   9.6793 4.792744 23.83372 
1 1 1  -50   12   13 o  239.792   10.763 23593.24  2095.58 24934.05  3922.12 23057.54  2479.11  242.614   20.091  236.149   12.979 6.465103 23.91828 
1 1 1  -50   12   14 o  246.569   11.405 25085.46  2283.30 24596.51  4250.59 25283.78  2707.03  238.007   22.253  246.368   13.585 -8.360489 26.07192 
1 1 1  -50   12   15 f  107.512   8.6460  4780.48  748.381  4319.87  1755.81  4882.74  827.294   97.360   22.639  108.462   9.4893 -11.10152 24.54724 
1 1 1  -50   12   16 o  178.335   9.8636 13213.49  1422.72 12751.66  2852.37 13366.43  1641.48  168.399   21.339  178.702   11.372 -10.30214 24.18037 
1 1 1  -50   12   17 o   69.267   11.121  2055.93  604.300  198.620  1614.50  2358.53  651.670   50.140   21.665   74.282   11.149 -24.14194 24.36566 
1 1 1  -50   12   18 o  117.116   9.6609  5772.23  910.497  4165.47  2100.59  6143.94  1010.34   89.533   26.801  120.507   10.428 -30.97413 28.75875 
1 1 1  -50   12   19 o   38.283   13.205  598.117  498.174 -2704.2480  1632.53  937.206  523.126   34.435   16.912   45.821   13.286 -11.38565 21.50643 
1 1 1  -50   12   20 o   31.579   12.951  216.172  530.699 -1111.1940  1496.58  407.091  567.584   38.188   18.090   35.316   13.752 2.871769 22.72331 
1 1 1  -50   12   21 o   71.059   13.411  2348.54  745.411  476.468  2199.62  2591.42  792.292   51.478   23.533   74.610   13.578 -23.13245 27.16902 
1 1 1  -50   12   22 o   39.152   14.871  670.854  652.278 -1719.1110  2265.88  886.805  681.110   40.780   20.006   42.896   15.386 -2.116135 25.23892 
1 1 1  -50   12   23 o   54.499   17.209  1749.81  851.850  4645.80  2679.73  1424.27  898.454   61.409   27.182   48.827   17.652 12.58114 32.41094 
1 1 1  -50   14    1 o  218.805   23.025 19935.07  4029.28   0.0000   0.0000 19935.07  4029.28  ?   ?   218.805   23.025 0.000000 23.02499 
1 1 1  -50   14    2 o  344.361   29.182 49659.88  8082.78   0.0000   0.0000 49659.88  8082.78  ?   ?   344.361   29.182 0.000000 29.18183 
1 1 1  -50   14    3 o  280.836   15.556 32350.71  3533.37   0.0000   0.0000 32350.71  3533.37  ?   ?   280.836   15.556 0.000000 15.55593 
1 1 1  -50   14    4 o  213.960   12.005 18728.92  2077.10 14903.97  3712.17 20472.26  2506.15  188.212   24.902  223.449   13.882 -35.23706 28.51014 
1 1 1  -50   14    5 o  175.423   11.740 12607.36  1662.55 11848.64  2637.62 13107.52  2141.53  168.642   19.630  178.399   14.921 -9.756668 24.65684 
1 1 1  -50   14    6 o  153.279   11.413  9636.09  1410.21  6599.93  2226.56 11669.86  1822.31  124.452   22.877  168.461   13.434 -44.00825 26.52989 
1 1 1  -50   14    7 o  343.889   19.052 48850.75  5299.04 42103.20  7698.75 54925.26  7304.71  314.928   30.489  362.529   24.968 -47.60098 39.40758 
1 1 1  -50   14    8 o  403.483   29.737 68996.98  9673.56   0.0000   0.0000 68996.98  9673.56  ?   ?   403.483   29.737 0.000000 29.73681 
1 1 1  -50   14    9 o  398.560   21.006 66065.30  6773.97 63474.48  9762.10 68471.27  9407.43  384.991   31.505  401.477   29.055 -16.48608 42.85696 
1 1 1  -50   14   10 o   30.572   9.3001  382.621  251.444 -263.9567  964.285  429.792  260.455   37.204   16.395   32.168   9.3886 5.036026 18.89294 
1 1 1  -50   14   11 o   86.962   9.3263  3123.33  648.255  2250.55  1443.16  3343.95  725.576   72.964   22.299   89.885   10.118 -16.92029 24.48677 
1 1 1  -50   14   12 o  149.492   8.3803  9156.80  1013.12  9236.34  2287.59  9137.40  1129.98  147.207   19.628  149.161   9.3776 -1.953629 21.75284 
1 1 1  -50   14   13 o  290.048   13.052 34835.29  3073.87 33288.91  5691.73 35472.04  3652.30  274.918   25.800  291.145   15.506 -16.22601 30.10048 
1 1 1  -50   14   14 o   22.447   9.8664 -87.3632  347.193 -702.1167  1262.89 -37.1013  361.107   39.190   17.882   23.714   10.247 15.47554 20.61012 
1 1 1  -50   14   15 o  195.706   10.315 15910.76  1633.35 14231.49  3301.72 16454.88  1879.43  176.916   23.571  198.384   11.720 -21.46831 26.32380 
1 1 1  -50   14   16 o  173.018   9.8533 12471.95  1378.52 13129.91  2930.28 12284.95  1562.18  169.585   21.784  171.022   11.314 -1.436172 24.54686 
1 1 1  -50   14   17 o  108.999   9.7286  4993.19  851.964  2867.83  2141.76  5392.71  928.594   76.734   27.310  113.110   10.221 -36.37601 29.15991 
1 1 1  -50   14   18 o   93.214   10.480  3707.90  779.413  4794.44  2114.61  3537.08  838.445   95.298   26.413   90.493   11.684 4.805687 28.88163 
1 1 1  -50   14   19 o   48.569   13.780  1072.00  568.576 -1546.0370  1938.87  1318.33  594.723   42.473   20.253   53.764   13.610 -11.29124 24.40145 
1 1 1  -50   14   20 o   76.106   13.420  2650.51  799.019  1829.50  2393.23  2753.51  847.657   61.685   26.515   77.208   14.039 -15.52261 30.00222 
1 1 1  -50   14   21 o   40.710   16.505  606.028  849.881  3457.73  2441.08  212.682  906.602   68.101   27.834   37.049   16.122 31.05155 32.16621 
1 1 1  -50   14   22 o   61.970   18.555  2227.69  1006.68  1732.54  2853.13  2298.09  1075.88   52.548   24.917   62.053   19.302 -9.505325 31.51832 
1 1 1  -50   14   23 o   46.274   16.813  1301.31  816.607  1256.00  2564.76  1306.42  861.438   45.046   21.923   46.043   17.175 -0.9968987 27.84919 
1 1 1  -50   16    1 o  179.434   23.288 13509.73  3312.91   0.0000   0.0000 13509.73  3312.91  ?   ?   179.434   23.288 0.000000 23.28788 
1 1 1  -50   16    2 o   32.582   15.906 -2563.8269  1380.22   0.0000   0.0000 -2563.8269  1380.22  ?   ?    32.582   15.906 0.000000 15.90617 
1 1 1  -50   16    3 o  387.466   20.462 61997.59  6414.63   0.0000   0.0000 61997.59  6414.63  ?   ?   387.466   20.462 0.000000 20.46171 
1 1 1  -50   16    4 o  400.175   18.202 65799.40  5914.32 54894.55 10512.35 70849.58  7153.91  357.425   36.746  413.795   21.365 -56.37067 42.50539 
1 1 1  -50   16    5 o  316.757   17.717 41354.41  4538.48 40628.18  6827.92 41929.25  6074.65  310.773   27.337  317.079   23.768 -6.305389 36.22437 
1 1 1  -50   16    6 o  264.498   17.155 28867.78  3664.39 18808.02  5520.42 36791.59  4899.43  208.017   33.848  297.798   20.385 -89.78072 39.51219 
1 1 1  -50   16    7 o   87.151   11.326  3152.78  782.513  6197.93  1501.47  2017.25  916.877  121.941   15.516   68.704   16.617 53.23673 22.73493 
1 1 1  -50   16    8 o  157.612   12.271 10222.65  1557.97  7990.44  2545.29 11560.04  1970.16  136.509   23.831  167.209   14.659 -30.70032 27.97837 
1 1 1  -50   16    9 o  132.695   11.700  7260.52  1247.66  5976.97  2057.44  8007.07  1569.09  117.825   22.323  138.938   14.104 -21.11303 26.40522 
1 1 1  -50   16   10 o  318.651   14.851 41862.97  3842.41 32858.81  7098.79 45594.19  4569.70  272.921   32.684  331.338   17.043 -58.41653 36.86072 
1 1 1  -50   16   11 o  174.527   11.114 12550.38  1566.73 13905.26  2756.71 11903.95  1904.15  181.293   19.010  169.226   13.983 12.06668 23.59889 
1 1 1  -50   16   12 o  436.243   18.165 80202.36  6434.50 81455.79 11588.92 79643.73  7736.58  419.483   34.325  430.360   22.216 -10.87686 40.88700 
1 1 1  -50   16   13 f   76.052   9.0600  2408.94  548.458  2207.33  1586.01  2436.32  584.521   71.550   23.559   76.364   9.6418 -4.814560 25.45569 
1 1 1  -50   16   14 o   34.018   12.161  417.224  425.117  974.870  1421.97  362.490  445.491   55.714   21.746   33.253   12.361 22.46157 25.01413 
1 1 1  -50   16   15 o  165.085   9.6158 11329.35  1283.36 10534.56  2836.60 11533.91  1439.07  150.483   24.023  166.103   10.727 -15.62070 26.30950 
1 1 1  -50   16   16 o  212.376   11.124 18976.98  1911.58 17927.57  3962.84 19295.22  2182.27  192.266   26.055  213.051   12.672 -20.78477 28.97358 
1 1 1  -50   16   17 o   23.430   10.784 -324.0684  472.708 -1888.3571  1789.30 -206.6987  490.122   40.186   19.243   25.250   11.368 14.93678 22.34986 
1 1 1  -50   16   18 o  113.449   10.410  5498.36  948.199  3903.02  2580.42  5747.40  1019.53   82.054   29.876  115.688   10.985 -33.63409 31.83204 
1 1 1  -50   16   19 o   52.841   14.763  1304.06  657.821  2939.92  2299.85  1158.31  686.502   71.157   27.689   49.912   15.401 21.24569 31.68374 
1 1 1  -50   16   20 o   35.463   15.347  152.671  812.537  775.432  2055.35   37.316  884.596   52.246   23.421   35.489   15.668 16.75763 28.17867 
1 1 1  -50   16   21 o   68.710   17.530  2525.58  981.171  4810.10  2567.24  2134.81  1061.78   73.331   29.036   61.311   19.192 12.01967 34.80565 
1 1 1  -50   16   22 o   46.204   18.178  1241.11  1000.16  2638.28  3159.80  1085.54  1054.37   52.094   25.105   44.411   18.239 7.683064 31.03092 
1 1 1  -50   18    1 o  211.689   24.922 18853.60  4201.63   0.0000   0.0000 18853.60  4201.63  ?   ?   211.689   24.922 0.000000 24.92190 
1 1 1  -50   18    2 o  210.434   15.011 18223.80  2547.96   0.0000   0.0000 18223.80  2547.96  ?   ?   210.434   15.011 0.000000 15.01055 
1 1 1  -50   18    3 f  611.199   32.605 158532.59 16122.46   0.0000   0.0000 158532.59 16122.46  ?   ?   611.199   32.605 0.000000 32.60485 
1 1 1  -50   18    4 o  383.791   18.243 60644.69  5684.86 48118.46 10282.56 66158.91  6822.34  331.965   38.885  399.393   21.112 -67.42853 44.24645 
1 1 1  -50   18    5 o  146.215   11.837  8790.93  1393.27  5911.98  2686.94  9849.69  1629.44  116.290   28.644  154.616   13.102 -38.32558 31.49861 
1 1 1  -50   18    6 o  133.185   12.118  7312.52  1296.17  5200.23  2275.42  8327.20  1577.06  109.249   26.023  141.883   13.866 -32.63374 29.48666 
1 1 1  -50   18    7 o  385.039   29.104 63328.33  9031.79   0.0000   0.0000 63328.33  9031.79  ?   ?   385.039   29.104 0.000000 29.10376 
1 1 1  -50   18    8 o   80.994   12.226  2747.25  779.021  625.268  1651.27  3354.75  883.523   56.791   23.013   89.621   12.480 -32.83037 26.17890 
1 1 1  -50   18    9 o   88.720   12.923  3301.51  903.614  3537.24  1902.69  3232.86  1026.80   89.820   25.111   87.309   15.026 2.510933 29.26368 
1 1 1  -50   18   10 o  100.612   12.472  4231.25  997.045  5982.81  1798.78  3454.44  1197.91  117.890   19.471   89.618   17.086 28.27266 25.90482 
1 1 1  -50   18   11 o  165.602   8.8711 11269.85  1188.50 12688.36  2770.96 10950.06  1315.67  171.597   20.280  162.963   9.9913 8.634094 22.60728 
1 1 1  -50   18   12 o  131.705   8.5403  7147.64  908.377  4757.63  2344.52  7569.79  985.340  100.827   27.759  135.443   9.0111 -34.61598 29.18489 
1 1 1  -50   18   13 o  185.130   10.005 14205.38  1498.39 13443.51  3333.29 14398.32  1677.42  171.635   24.624  185.925   11.163 -14.28938 27.03578 
1 1 1  -50   18   14 o   70.783   9.6820  2111.40  541.870  5520.00  1706.63  1729.25  571.439  110.751   19.700   63.451   11.516 47.29990 22.81885 
1 1 1  -50   18   15 o   60.290   11.484  1572.50  541.640 -1196.3110  1771.36  1858.08  568.887   43.710   20.377   65.800   11.039 -22.09084 23.17530 
1 1 1  -50   18   16 o  217.693   12.140 20189.93  2137.26 12321.82  4511.44 22466.79  2426.88  141.184   38.357  228.778   13.119 -87.59404 40.53858 
1 1 1  -50   18   17 o   31.894   12.917  229.030  519.987 -295.7679  2087.89  263.734  536.904   50.784   23.103   32.808   13.182 17.97615 26.59961 
1 1 1  -50   18   18 o  120.324   10.316  6216.39  998.125  3174.61  2971.39  6603.27  1059.70   73.748   30.487  123.820   10.644 -50.07203 32.29203 
1 1 1  -50   18   19 o  163.180   11.450 11721.02  1507.47  9842.83  3868.44 12057.29  1636.87  106.932   36.803  164.488   12.346 -57.55599 38.81836 
1 1 1  -50   18   20 o   40.152   16.207  603.824  815.623 -561.5453  2831.36  709.281  851.727   48.966   23.640   41.838   16.674 7.128120 28.92888 
1 1 1  -50   18   21 o   31.505   14.237 -34.5990  776.839 -137.9088  3099.90 -27.6762  802.445   47.092   23.163   31.969   14.456 15.12318 27.30370 
1 1 1  -50   18   22 f   28.576   13.686 -547.7262  906.104 -115.6820  2787.00 -598.7916  958.157   41.720   20.772   29.026   13.947 12.69383 25.01982 
1 1 1  -50   20    1 o  398.322   20.681 65871.09  6665.62   0.0000   0.0000 65871.09  6665.62  ?   ?   398.322   20.681 0.000000 20.68071 
1 1 1  -50   20    2 o  208.439   14.814 17912.07  2490.96   0.0000   0.0000 17912.07  2490.96  ?   ?   208.439   14.814 0.000000 14.81444 
1 1 1  -50   20    3 o  269.723   18.305 30164.93  3985.22   0.0000   0.0000 30164.93  3985.22  ?   ?   269.723   18.305 0.000000 18.30525 
1 1 1  -50   20    4 o  143.068   11.904  8429.66  1370.26  7301.08  2952.59  8739.45  1546.94  128.877   28.926  145.451   13.244 -16.57350 31.81320 
1 1 1  -50   20    5 o  204.478   13.918 17244.32  2297.07 12121.43  4412.66 19148.57  2690.33  164.654   34.127  215.130   15.506 -50.47557 37.48415 
1 1 1  -50   20    6 o  344.958   18.814 49567.71  5249.83 38073.37  9404.39 54771.12  6327.50  288.585   41.313  361.187   21.676 -72.60269 46.65451 
1 1 1  -50   20    7 f  131.954   12.935  7224.21  1368.10  4823.20  2529.63  8216.84  1626.51  104.074   28.904  140.449   14.470 -36.37468 32.32386 
1 1 1  -50   20    8 o  313.452   19.195 41346.39  4861.95 36615.41  7472.65 44819.28  6402.43  285.485   32.835  322.806   24.612 -37.32156 41.03516 
1 1 1  -50   20    9 o  270.934   16.800 30815.89  3677.62 30473.18  5769.68 31050.41  4772.86  262.392   27.489  268.815   22.061 -6.423676 35.24697 
1 1 1  -50   20   10 o  192.999   25.917 16651.32  3958.71 16651.32  3958.71   0.0000   0.0000  192.999   25.917  ?   ?  0.000000 25.91653 
1 1 1  -50   20   11 o  159.926   14.223 10786.61  1827.66 10494.09  3288.26 10917.38  2198.54  150.193   27.993  159.530   17.247 -9.336182 32.88015 
1 1 1  -50   20   12 o   87.999   8.8631  3220.00  624.668 -52.8069  2134.17  3526.67  653.278   55.889   24.516   92.137   8.8408 -36.24884 26.06170 
1 1 1  -50   20   13 o  181.303   9.8972 13667.15  1451.48 16017.21  3591.08 13208.26  1586.88  186.016   24.361  177.709   11.052 8.306854 26.75133 
1 1 1  -50   20   14 o  250.846   12.718 26673.18  2582.00 23284.56  5465.33 27646.80  2929.54  211.114   32.960  254.025   14.261 -42.91055 35.91294 
1 1 1  -50   20   15 o   56.097   12.880  1391.69  574.282 -429.6240  2094.41  1539.76  597.169   51.267   23.252   59.073   12.818 -7.805943 26.55114 
1 1 1  -50   20   16 o   68.729   11.745  2063.61  631.885  516.806  2290.22  2191.06  657.402   57.426   25.289   70.822   11.851 -13.39547 27.92783 
1 1 1  -50   20   17 o   64.936   12.888  1893.91  655.575 -594.9948  2575.84  2066.30  677.898   52.742   24.583   67.959   12.754 -15.21680 27.69454 
1 1 1  -50   20   18 o   48.241   15.667  1085.26  702.307  815.622  2724.64  1104.45  726.869   57.676   26.298   48.626   15.946 9.049309 30.75460 
1 1 1  -50   20   19 o   38.218   16.922  127.698  1039.28 -1213.0330  2860.39  331.607  1115.51   48.104   23.351   40.914   17.842 7.190842 29.38690 
1 1 1  -50   20   20 o   41.938   17.465  726.307  985.400  6571.29  3306.75  156.678  1032.30   73.783   31.426   37.032   16.600 36.75063 35.54066 
1 1 1  -50   20   21 o   41.418   17.450  875.645  1001.20  3035.54  3674.15  702.398  1040.58   50.785   25.025   39.888   17.314 10.89723 30.43080 
1 1 1  -50   22    1 o  324.527   19.185 43948.69  5033.00   0.0000   0.0000 43948.69  5033.00  ?   ?   324.527   19.185 0.000000 19.18547 
1 1 1  -50   22    2 o   57.174   14.973  1396.50  703.313   0.0000   0.0000  1396.50  703.313  ?   ?    57.174   14.973 0.000000 14.97269 
1 1 1  -50   22    3 o  108.128   13.712  4884.18  1176.81   0.0000   0.0000  4884.18  1176.81  ?   ?   108.128   13.712 0.000000 13.71205 
1 1 1  -50   22    4 o  284.808   17.488 33829.40  4024.60 26708.21  7951.18 36282.30  4666.54  237.940   42.726  293.973   19.664 -56.03276 47.03325 
1 1 1  -50   22    5 o  140.384   13.153  8186.81  1481.74  4864.73  3472.76  8926.21  1638.36  105.044   34.874  146.438   13.948 -41.39407 37.55998 
1 1 1  -50   22    6 o  108.247   13.265  4905.53  1141.51  2014.07  2621.38  5582.13  1268.05   77.467   29.718  115.434   13.803 -37.96718 32.76741 
1 1 1  -50   22    7 o  100.872   14.096  4296.26  1122.98  1500.01  2625.25  4922.50  1242.38   73.143   29.234  107.972   14.541 -34.82877 32.65069 
1 1 1  -50   22    8 o  224.939   16.655 21361.14  3020.22 16316.58  5078.89 24120.92  3756.60  184.735   35.144  237.347   19.670 -52.61208 40.27391 
1 1 1  -50   22    9 o  176.852   14.928 13191.86  2123.54 11088.68  3809.39 14140.09  2557.84  152.453   31.803  181.880   17.537 -29.42688 36.31771 
1 1 1  -50   22   10 o  115.556   14.715  5696.25  1349.33  5671.67  2749.11  5704.06  1548.71  108.269   30.154  114.676   17.160 -6.407112 34.69521 
1 1 1  -50   22   11 o   22.397   10.817 -914.8284  594.151 -3789.5791  1609.91 -461.5378  639.279   31.833   15.839   27.159   12.515 4.674524 20.18676 
1 1 1  -50   22   12 o  252.263   11.749 26635.46  2406.50 27914.39  5403.96 26319.10  2687.71  240.887   28.160  249.383   13.321 -8.496979 31.15219 
1 1 1  -50   22   13 o  188.186   10.726 14855.01  1632.19 15988.47  4284.24 14662.56  1765.32  176.493   31.028  186.380   11.725 -9.887131 33.16961 
1 1 1  -50   22   14 f  116.721   9.5192  5720.33  894.314  3866.25  3261.01  5871.11  929.969   85.270   33.029  118.150   9.7818 -32.88013 34.44743 
1 1 1  -50   22   15 o   20.610   9.5184 -277.0857  372.830 -2814.4600  2504.25 -219.5698  377.032   45.311   21.961   21.445   9.7798 23.86536 24.04016 
1 1 1  -50   22   16 o   74.034   11.726  2408.84  681.388  1229.66  3109.45  2468.32  698.362   64.411   28.846   74.887   11.882 -10.47574 31.19721 
1 1 1  -50   22   17 o   52.461   14.229  1286.70  621.454  5505.15  3246.82  1126.28  633.160   85.420   32.994   49.129   14.716 36.29110 36.12700 
1 1 1  -50   22   18 o   49.422   19.810  1098.22  1209.21  159.798  3479.69  1227.11  1289.58   55.461   26.630   51.145   20.472 4.315632 33.58955 
1 1 1  -50   22   19 o   35.589   16.303 -120.1507  1063.34 -4781.7319  3658.36  310.014  1111.32   42.932   21.698   39.468   17.486 3.464676 27.86658 
1 1 1  -50   22   20 o   44.664   19.213  1078.76  1258.27  1141.69  4215.49  1072.60  1318.37   48.860   24.508   44.742   19.455 4.118767 31.29158 
1 1 1  -50   24    1 o  167.865   15.355 11794.31  2069.76   0.0000   0.0000 11794.31  2069.76  ?   ?   167.865   15.355 0.000000 15.35530 
1 1 1  -50   24    2 o   87.643   15.718  3285.71  1077.42   0.0000   0.0000  3285.71  1077.42  ?   ?    87.643   15.718 0.000000 15.71767 
1 1 1  -50   24    3 o  278.303   18.991 32769.99  4265.86   0.0000   0.0000 32769.99  4265.86  ?   ?   278.303   18.991 0.000000 18.99117 
1 1 1  -50   24    4 o  416.508   24.990 75564.71  8412.39   0.0000   0.0000 75564.71  8412.39  ?   ?   416.508   24.990 0.000000 24.99019 
1 1 1  -50   24    5 o  322.413   17.565 43893.43  4581.02 39267.25  8990.73 45515.61  5323.96  283.295   40.214  326.334   20.192 -43.03839 44.99901 
1 1 1  -50   24    6 f  108.523   13.905  4977.02  1197.12  3174.43  3144.92  5282.46  1294.57   88.095   32.824  111.625   14.636 -23.52953 35.93943 
1 1 1  -50   24    7 o   28.970   11.986  102.765  459.790 -379.2668  1835.06  135.054  474.940   50.562   22.432   29.897   12.255 20.66456 25.56141 
1 1 1  -50   24    8 o  147.908   15.036  9291.62  1780.65  6917.56  3799.93  9959.62  2015.66  116.573   36.277  152.492   16.545 -35.91945 39.87140 
1 1 1  -50   24    9 f  109.336   32.943  6014.60  3166.03  6014.60  3166.03   0.0000   0.0000  109.336   32.943  ?   ?  0.000000 32.94310 
1 1 1  -50   24   10 o  131.859   15.478  7494.10  1625.67  8344.68  3426.76  7247.07  1846.70  127.440   32.893  128.236   18.251 -0.7956772 37.61700 
1 1 1  -50   24   11 o  160.736   16.386 11248.96  2108.70  7865.38  4164.19 12415.82  2445.42  116.936   38.158  167.608   18.265 -50.67156 42.30424 
1 1 1  -50   24   12 o  193.424   10.513 15690.36  1644.91 14077.39  4685.10 15917.14  1756.75  156.719   37.348  194.419   11.175 -37.70015 38.98396 
1 1 1  -50   24   13 o  191.126   10.830 15429.78  1673.78 15675.98  4819.91 15396.01  1784.85  162.116   37.381  190.374   11.602 -28.25829 39.13982 
1 1 1  -50   24   14 f   47.692   11.959  1009.54  462.233  327.500  3410.77  1022.30  466.538   64.061   29.292   47.982   12.004 16.07833 31.65650 
1 1 1  -50   24   15 o   45.151   12.764  915.750  488.755  2090.34  4058.17  898.462  492.339   71.049   32.279   44.747   12.865 26.30162 34.74790 
1 1 1  -50   24   16 o   69.082   21.844  2552.51  1372.12  2656.55  3997.04  2538.62  1460.90   69.135   31.648   68.418   22.615 0.7169037 38.89759 
1 1 1  -50   24   17 o   48.815   18.643  1114.05  1028.69 -8183.0771  4076.51  1746.35  1063.10   43.427   22.051   57.522   19.300 -14.09444 29.30422 
1 1 1  -50   24   18 o   34.540   16.223 -492.2095  1158.00 -8961.8340  4312.01  166.098  1202.16   41.478   21.204   39.418   17.771 2.060066 27.66606 
1 1 1  -50   24   19 o   52.889   21.653  1976.65  1480.20 10841.25  5019.85  1132.49  1549.08   66.114   31.806   46.097   20.522 20.01695 37.85242 
1 1 1  -50   26    1 o  144.290   16.306  8843.18  1876.82   0.0000   0.0000  8843.18  1876.82  ?   ?   144.290   16.306 0.000000 16.30555 
1 1 1  -50   26    2 o  152.041   16.408  9822.30  1993.48   0.0000   0.0000  9822.30  1993.48  ?   ?   152.041   16.408 0.000000 16.40789 
1 1 1  -50   26    3 o  186.389   17.114 14787.07  2561.16   0.0000   0.0000 14787.07  2561.16  ?   ?   186.389   17.114 0.000000 17.11424 
1 1 1  -50   26    4 o  149.347   16.162  9498.86  1928.61   0.0000   0.0000  9498.86  1928.61  ?   ?   149.347   16.162 0.000000 16.16199 
1 1 1  -50   26    5 o  152.494   14.468  9829.58  1770.03 14289.04  4792.62  9125.23  1904.69  169.168   35.997  146.096   16.336 23.07117 39.53032 
1 1 1  -50   26    6 o   26.458   12.004 -306.5333  558.819  625.842  2821.99 -344.5869  570.109   67.318   28.860   26.395   12.033 40.92273 31.26829 
1 1 1  -50   26    7 o  145.831   15.222  9089.24  1775.88  7837.95  4534.58  9315.92  1930.05  119.739   39.855  147.055   16.446 -27.31630 43.11516 
1 1 1  -50   26    8 o   87.247   30.934  3608.45  2745.43  5396.19  3118.46 -2551.8169  5788.79  102.739   32.979   75.763   35.796 26.97623 48.67170 
1 1 1  -50   26    9 o   50.539   18.272  983.898  962.733  4913.38  3229.73  600.695  1008.58   97.197   33.618   46.045   18.210 51.15164 38.23276 
1 1 1  -50   26   10 o  176.489   16.927 13674.47  2395.88 12491.22  5104.81 14008.75  2713.28  142.217   41.581  176.788   19.211 -34.57141 45.80434 
1 1 1  -50   26   11 o  122.469   18.060  6771.22  1742.03  4388.20  4067.04  7306.66  1927.82   89.780   36.208  126.350   19.412 -36.56957 41.08382 
1 1 1  -50   26   12 o   48.052   19.392  679.666  1167.39  2808.66  3645.89  436.460  1232.26   78.027   33.108   46.395   19.443 31.63142 38.39507 
1 1 1  -50   26   13 o   79.532   9.4681  2692.81  599.412  4314.78  3623.32  2647.17  607.787   83.823   34.046   78.755   9.7102 5.067749 35.40363 
1 1 1  -50   26   14 o   45.982   12.687  954.479  489.125  4947.72  3577.70  878.420  493.762   84.023   33.934   44.213   12.933 39.81014 36.31543 
1 1 1  -50   26   15 o   70.617   22.126  2712.46  1410.93  1942.71  4044.54  2819.12  1505.51   65.953   30.762   71.336   22.916 -5.383080 38.35965 
1 1 1  -50   26   16 o   39.754   17.860   47.529  1202.11 -2467.9839  3976.69  300.512  1261.11   51.074   25.325   42.364   18.705 8.710571 31.48415 
1 1 1  -50   26   17 o   43.132   19.126  521.411  1332.39 -5552.4141  4678.15  1057.60  1389.95   46.174   23.464   47.751   20.357 -1.576462 31.06414 
1 1 1  -50   26   18 o   90.294   25.662  6235.43  1970.14 -2523.4241  6348.50  7168.85  2072.46   47.837   24.547   97.771   25.749 -49.93363 35.57486 
1 1 1  -50   28    1 o   65.414   19.969  1876.96  1157.79   0.0000   0.0000  1876.96  1157.79  ?   ?    65.414   19.969 0.000000 19.96911 
1 1 1  -50   28    2 o  182.565   18.436 14439.25  2695.51   0.0000   0.0000 14439.25  2695.51  ?   ?   182.565   18.436 0.000000 18.43643 
1 1 1  -50   28    3 o  155.432   17.717 10467.51  2196.05   0.0000   0.0000 10467.51  2196.05  ?   ?   155.432   17.717 0.000000 17.71718 
1 1 1  -50   28    4 o   53.371   17.954  1174.83  920.073   0.0000   0.0000  1174.83  920.073  ?   ?    53.371   17.954 0.000000 17.95417 
1 1 1  -50   28    5 o   81.244   19.624  2990.20  1280.00   0.0000   0.0000  2990.20  1280.00  ?   ?    81.244   19.624 0.000000 19.62405 
1 1 1  -50   28    6 o   73.856   19.068  2474.24  1151.38  1225.74  4486.94  2562.25  1191.27   79.964   35.296   75.064   19.403 4.899826 40.27757 
1 1 1  -50   28    7 o   73.185   30.703  1641.71  3078.54  6567.32  4036.13 -5210.2158  4760.38  107.991   37.568   61.544   29.932 46.44668 48.03410 
1 1 1  -50   28    8 o  230.013   19.091 23619.33  3533.27 21695.01  7636.45 24143.49  3985.54  173.350   50.907  229.690   21.625 -56.33977 55.30914 
1 1 1  -50   28    9 o   47.752   17.721  854.455  914.797  6175.06  3861.34  538.066  941.604  101.914   36.627   43.908   17.522 58.00593 40.60235 
1 1 1  -50   28   10 o   63.799   20.420  1897.80  1196.26 -73.9228  4008.94  2090.52  1253.36   67.625   31.224   66.530   20.856 1.094337 37.54886 
1 1 1  -50   28   11 o  111.522   18.442  5782.68  1611.61  8694.99  4681.65  5391.18  1716.52  108.224   40.103  105.905   20.704 2.319206 45.13198 
1 1 1  -50   28   12 o  174.452   18.432 14267.60  2571.32 17609.65  5759.74 13435.74  2873.56  146.294   44.513  164.783   22.028 -18.48886 49.66537 
1 1 1  -50   28   13 o  155.255   20.307 11940.97  2498.57  8255.29  5266.83 13011.33  2838.28   91.161   39.261  158.808   22.653 -67.64729 45.32787 
1 1 1  -50   28   14 o   68.926   22.703  2672.33  1472.74  2280.79  4834.51  2712.39  1546.23   66.411   31.754   68.953   23.275 -2.541252 39.37076 
1 1 1  -50   28   15 o   51.017   20.954  1243.39  1391.93  1673.75  5604.11  1215.10  1436.96   60.856   30.156   50.927   21.139 9.929832 36.82716 
1 1 1  -50   28   16 o   43.682   19.482  581.755  1402.85  1589.76  5984.84  523.151  1443.06   55.534   28.029   43.539   19.564 11.99456 34.18139 
1 1 1  -50   28   17 o   84.137   24.601  5343.68  1786.84  8713.61  6281.03  5046.94  1863.85   56.464   28.524   78.546   25.524 -22.08167 38.27639 
1 1 1  -50   30    1 o  152.570   21.024 10478.63  2535.30   0.0000   0.0000 10478.63  2535.30  ?   ?   152.570   21.024 0.000000 21.02385 
1 1 1  -50   30    2 o  221.946   20.857 22051.78  3714.60   0.0000   0.0000 22051.78  3714.60  ?   ?   221.946   20.857 0.000000 20.85691 
1 1 1  -50   30    3 f  124.891   20.590  7075.04  2015.25   0.0000   0.0000  7075.04  2015.25  ?   ?   124.891   20.590 0.000000 20.59048 
1 1 1  -50   30    4 o  110.425   20.735  5590.96  1790.89   0.0000   0.0000  5590.96  1790.89  ?   ?   110.425   20.735 0.000000 20.73528 
1 1 1  -50   30    5 o   77.482   35.575  292.882  5102.70   0.0000   0.0000  292.882  5102.70  ?   ?    77.482   35.575 0.000000 35.57547 
1 1 1  -50   30    6 o  201.367   18.450 18122.88  2983.04 20407.16  8718.75 17820.03  3174.63  150.573   54.903  198.105   20.010 -47.53194 58.43619 
1 1 1  -50   30    7 o   45.784   18.269  609.384  1023.51  8589.51  5756.24  348.847  1040.09  108.955   43.372   43.121   17.949 65.83376 46.93951 
1 1 1  -50   30    8 o   66.731   21.228  2114.23  1294.24 -2048.4099  5784.73  2333.58  1327.90   70.663   34.032   69.716   21.404 0.9465332 40.20347 
1 1 1  -50   30    9 o   44.840   18.220  557.723  1038.28 -2837.7639  4876.44  718.963  1062.65   63.075   30.588   46.984   18.657 16.09095 35.82905 
1 1 1  -50   30   10 o   73.926   22.178  2780.30  1437.25   45.628  5708.77  2965.37  1485.09   70.859   34.046   76.119   22.477 -5.259941 40.79621 
1 1 1  -50   30   11 o   62.075   22.034  1932.66  1393.23  1773.75  5404.55  1943.97  1441.96   71.195   33.912   62.229   22.381 8.966503 40.63125 
1 1 1  -50   30   12 o   60.950   21.528  1940.51  1328.42 -1145.2531  6477.81  2075.98  1357.27   64.198   31.915   62.596   21.785 1.601383 38.64147 
1 1 1  -50   30   13 o   54.309   21.372  1491.90  1382.79  4186.99  5092.20  1277.35  1436.78   68.337   32.652   52.352   21.371 15.98498 39.02363 
1 1 1  -50   30   14 o   61.013   23.216  2374.24  1591.65 -3631.4719  5884.14  2848.36  1653.28   52.548   26.663   65.618   23.911 -13.07006 35.81407 
1 1 1  -50   30   15 o   41.989   19.176  380.558  1456.17  8600.94  5785.12 -175.4965  1504.61   62.769   31.019   39.218   18.443 23.55085 36.08777 
1 1 1  -50   32    1 o  178.766   23.603 15148.12  3342.19   0.0000   0.0000 15148.12  3342.19  ?   ?   178.766   23.603 0.000000 23.60262 
1 1 1  -50   32    2 o  114.512   24.053  6366.30  2165.34   0.0000   0.0000  6366.30  2165.34  ?   ?   114.512   24.053 0.000000 24.05333 
1 1 1  -50   32    3 o   98.230   41.233  6231.01  5557.41   0.0000   0.0000  6231.01  5557.41  ?   ?    98.230   41.233 0.000000 41.23334 
1 1 1  -50   32    4 o   90.620   40.397  4619.21  6024.04   0.0000   0.0000  4619.21  6024.04  ?   ?    90.620   40.397 0.000000 40.39745 
1 1 1  -50   32    5 o  141.631   21.658  9554.73  2411.57   0.0000   0.0000  9554.73  2411.57  ?   ?   141.631   21.658 0.000000 21.65849 
1 1 1  -50   32    6 o  163.129   20.818 12631.67  2694.62   0.0000   0.0000 12631.67  2694.62  ?   ?   163.129   20.818 0.000000 20.81829 
1 1 1  -50   32    7 o  125.655   21.152  7668.49  2081.40 19374.57  8592.68  6938.82  2145.28  122.923   51.414  117.351   23.336 5.572014 56.46198 
1 1 1  -50   32    8 o   60.800   21.888  1777.45  1379.55 -1537.4930  7437.04  1895.58  1403.91   71.147   35.161   62.264   22.116 8.883801 41.53841 
1 1 1  -50   32    9 o   56.476   21.916  1448.43  1437.71  3727.88  7117.62  1351.47  1467.97   76.090   36.913   55.624   21.978 20.46614 42.96023 
1 1 1  -50   32   10 o   65.797   23.367  2395.57  1567.18  3264.08  6370.58  2339.63  1616.87   71.021   34.561   65.046   23.655 5.974648 41.88094 
1 1 1  -50   32   11 o   37.656   17.215 -233.2714  1177.17  2859.70  7573.40 -309.8475  1191.65   66.390   33.236   37.343   17.163 29.04690 37.40583 
1 1 1  -50   32   12 o   53.699   22.210  1540.21  1578.07  5720.75  7083.94  1321.91  1618.75   64.943   32.457   51.975   22.058 12.96799 39.24278 
1 1 1  -50   32   13 o   40.462   18.454  186.130  1342.99 12732.41  7216.64 -263.9612  1366.87   67.071   33.399   37.973   17.768 29.09848 37.83141 
1 1 1  -50   34    1 o   98.883   40.900  7912.12  5351.60   0.0000   0.0000  7912.12  5351.60  ?   ?    98.883   40.900 0.000000 40.89964 
1 1 1  -50   34    2 o  173.528   26.162 15672.18  3571.75   0.0000   0.0000 15672.18  3571.75  ?   ?   173.528   26.162 0.000000 26.16244 
1 1 1  -50   34    3 o  150.834   25.584 11860.74  3021.39   0.0000   0.0000 11860.74  3021.39  ?   ?   150.834   25.584 0.000000 25.58431 
1 1 1  -50   34    4 o  103.062   25.814  5755.62  2155.51   0.0000   0.0000  5755.62  2155.51  ?   ?   103.062   25.814 0.000000 25.81361 
1 1 1  -50   34    5 o   67.207   24.219  2360.41  1689.43   0.0000   0.0000  2360.41  1689.43  ?   ?    67.207   24.219 0.000000 24.21930 
1 1 1  -50   34    6 o   58.375   22.588  1611.09  1523.85   0.0000   0.0000  1611.09  1523.85  ?   ?    58.375   22.588 0.000000 22.58784 
1 1 1  -50   34    7 f   73.598   24.611  3117.20  1728.72   0.0000   0.0000  3117.20  1728.72  ?   ?    73.598   24.611 0.000000 24.61099 
1 1 1  -50   34    8 f   69.568   24.261  2860.78  1683.79  7994.77 11965.17  2757.05  1700.71   72.196   36.768   68.328   24.334 3.868294 44.09143 
1 1 1  -50   34    9 o   74.368   24.964  3515.25  1778.69 10146.37 10897.73  3333.76  1802.87   69.659   35.439   72.121   25.107 -2.462921 43.43107 
1 1 1  -50   34   10 o   50.752   21.928  1186.06  1653.51 -8463.8506 10116.51  1450.94  1676.05   55.620   28.649   52.833   22.435 2.787010 36.38793 
1 1 1  -50   34   11 o   54.275   23.139  1886.02  1795.88  8657.72  8993.87  1604.81  1832.79   60.193   30.760   52.274   22.830 7.919506 38.30662 
1 1 1  -50   36    1 o   67.116   27.693  2594.30  2445.03   0.0000   0.0000  2594.30  2445.03  ?   ?    67.116   27.693 0.000000 27.69315 
1 1 1  -50   36    2 o   84.886   30.183  4973.67  2615.47   0.0000   0.0000  4973.67  2615.47  ?   ?    84.886   30.183 0.000000 30.18268 
1 1 1  -50   36    3 o   56.212   24.083  1318.44  1962.74   0.0000   0.0000  1318.44  1962.74  ?   ?    56.212   24.083 0.000000 24.08309 
1 1 1  -50   36    4 o   93.935   29.034  5936.72  2438.78   0.0000   0.0000  5936.72  2438.78  ?   ?    93.935   29.034 0.000000 29.03432 
1 1 1  -50   36    5 o   53.015   22.646  1195.63  1726.23   0.0000   0.0000  1195.63  1726.23  ?   ?    53.015   22.646 0.000000 22.64598 
1 1 1  -50   36    6 o   70.448   26.509  3434.20  2061.17   0.0000   0.0000  3434.20  2061.17  ?   ?    70.448   26.509 0.000000 26.50934 
1 1 1  -50   36    7 o  109.305   30.825  9154.38  2854.05   0.0000   0.0000  9154.38  2854.05  ?   ?   109.305   30.825 0.000000 30.82458 
1 1 1  -49    1    1 o  438.412   22.881 78949.05  8116.81 76103.01 11472.43 81801.55 11485.40  427.645   33.302  443.835   32.086 -16.19019 46.24470 
1 1 1  -49    1    2 o  485.868   25.210 97175.13  9911.26 97249.27 14024.59 97101.16 14008.71  482.624   36.049  482.259   36.035 0.3647766 50.97114 
1 1 1  -49    1    3 o  451.617   31.731 84749.62 11561.71 84749.62 11561.71   0.0000   0.0000  451.617   31.731  ?   ?  0.000000 31.73067 
1 1 1  -49    1    4 o   54.804   6.6365  1238.30  289.301  1147.65  413.003  1325.63  405.370   52.232   10.104   56.373   9.1714 -4.141422 13.64543 
1 1 1  -49    1    5 o  280.117   20.578 32313.61  4647.54 32313.61  4647.54   0.0000   0.0000  280.117   20.578  ?   ?  0.000000 20.57759 
1 1 1  -49    1    7 o  445.693   31.907 83092.33 11470.20 83092.33 11470.20   0.0000   0.0000  445.693   31.907  ?   ?  0.000000 31.90654 
1 1 1  -49    1    8 o  710.368   52.097 221122.09 29840.00 221122.09 29840.00   0.0000   0.0000  710.368   52.097  ?   ?  0.000000 52.09743 
1 1 1  -49    1    9 o  282.070   21.318 32931.74  4846.37 32931.74  4846.37   0.0000   0.0000  282.070   21.318  ?   ?  0.000000 21.31767 
1 1 1  -49    1   10 o  381.369   27.934 60948.98  8589.83 60948.98  8589.83   0.0000   0.0000  381.369   27.934  ?   ?  0.000000 27.93401 
1 1 1  -49    1   13 o  238.360   13.041 23345.86  2514.33 24255.33  3430.86 22290.70  3695.47  241.803   17.595  231.060   19.891 10.74242 26.55644 
1 1 1  -49    1   14 o   91.192   8.5184  3421.37  623.439  3211.77  752.500  3880.12  1113.28   87.971   10.759   96.015   14.752 -8.044594 18.25855 
1 1 1  -49    1   15 o  324.479   16.205 43707.84  4269.54 39808.64  5870.38 48086.59  6220.92  304.954   23.899  335.978   22.941 -31.02344 33.12786 
1 1 1  -49    1   16 o  244.499   10.808 24616.78  2145.58 24252.31  3597.70 24817.96  2672.94  238.709   18.712  244.171   13.535 -5.462311 23.09367 
1 1 1  -49    1   17 o  153.132   8.0208  9650.71  993.829  9341.16  1577.67  9854.35  1279.64  148.950   13.181  154.079   10.288 -5.128143 16.72031 
1 1 1  -49    1   18 o  143.944   7.9000  8554.64  919.809  8997.14  1448.65  8255.74  1190.60  145.918   12.343  140.500   10.513 5.417877 16.21280 
1 1 1  -49    1   19 o  101.332   7.3126  4253.57  597.632  3654.27  872.490  4783.29  820.284   92.346   11.914  106.759   9.5642 -14.41367 15.27788 
1 1 1  -49    1   20 o   77.508   7.4077  2508.77  460.521  2516.29  668.644  2501.99  635.192   76.346   11.112   76.354   10.525 -0.7774353E-02 15.30568 
1 1 1  -49    1   21 o   46.259   8.8980  928.067  322.082  903.039  471.296  949.999  441.179   44.833   12.485   46.054   11.758 -1.220448 17.14976 
1 1 1  -49    1   22 o   58.954   8.0567  1490.22  375.568  821.281  548.702  2079.86  515.151   42.578   13.849   69.205   9.4118 -26.62665 16.74468 
1 1 1  -49    1   23 o   30.141   10.497  377.765  315.170  214.415  459.653  522.704  432.976   29.347   12.046   34.838   12.292 -5.491005 17.21049 
1 1 1  -49    1   24 o   34.348   10.338  551.552  311.911  581.478  451.106  524.138  431.748   35.372   12.539   34.031   12.246 1.340672 17.52693 
1 1 1  -49    1   25 o   46.537   9.6639  1038.37  353.223  743.405  506.237  1318.21  493.088   37.356   13.279   50.386   12.186 -13.02970 18.02313 
1 1 1  -49    3    1 o  594.840   43.410 149201.00 20822.06 149201.00 20822.06   0.0000   0.0000  594.840   43.410  ?   ?  0.000000 43.41043 
1 1 1  -49    3    2 f  136.034   10.519  7572.93  1152.85  7572.93  1152.85   0.0000   0.0000  136.034   10.519  ?   ?  0.000000 10.51904 
1 1 1  -49    3    3 o  381.455   27.160 60201.64  8357.17 60201.64  8357.17   0.0000   0.0000  381.455   27.160  ?   ?  0.000000 27.15965 
1 1 1  -49    3    4 o  378.787   27.171 59419.24  8301.15 59419.24  8301.15   0.0000   0.0000  378.787   27.171  ?   ?  0.000000 27.17062 
1 1 1  -49    3    5 o  526.856   37.490 116676.40 15933.23 116676.40 15933.23   0.0000   0.0000  526.856   37.490  ?   ?  0.000000 37.49015 
1 1 1  -49    3    6 o  168.807   14.495 11710.30  1967.51 11710.30  1967.51   0.0000   0.0000  168.807   14.495  ?   ?  0.000000 14.49509 
1 1 1  -49    3    7 o  108.600   11.152  4853.46  969.411   0.0000   0.0000  4853.46  969.411  ?   ?   108.600   11.152 0.000000 11.15194 
1 1 1  -49    3    8 o  489.693   23.965 98926.18  9528.81 102370.80 13538.23 95544.34 13414.17  493.134   34.019  475.861   34.962 17.27243 48.78162 
1 1 1  -49    3    9 o  480.422   19.004 94764.86  7413.17 101457.70 12946.89 91500.34  9042.14  490.774   32.677  470.023   23.770 20.75067 40.40744 
1 1 1  -49    3   10 o  210.266   9.3799 18005.43  1601.43 20052.20  2910.29 17116.54  1917.90  220.606   16.364  204.518   11.597 16.08754 20.05665 
1 1 1  -49    3   11 o  166.824   10.555 11394.62  1422.31 11974.64  2063.87 10870.00  1962.83  170.307   15.081  162.202   15.076 8.105698 21.32414 
1 1 1  -49    3   12 o  351.229   14.221 50559.69  4055.50 54276.91  7146.58 48794.05  4925.37  359.776   24.612  343.716   17.708 16.06036 30.32041 
1 1 1  -49    3   13 o  584.088   23.181 142603.09 10993.93 149980.91 19156.35 138979.70 13424.89  580.604   40.896  571.342   29.034 9.262878 50.15410 
1 1 1  -49    3   14 o  394.599   20.339 65129.99  6494.40 68243.15  9223.45 62068.91  9145.96  398.234   28.717  378.752   29.985 19.48233 41.51819 
1 1 1  -49    3   15 o  236.504   13.667 23157.50  2613.42 24932.96  3765.10 21506.79  3630.43  243.179   19.225  225.385   20.047 17.79414 27.77579 
1 1 1  -49    3   16 o   50.931   8.3396  1089.40  332.941  1658.56  369.449 -1371.0200  768.141   63.287   7.3249   24.472   11.929 38.81503 13.99849 
1 1 1  -49    3   17 o  204.574   10.167 17300.50  1688.88 16892.19  2002.70 18305.81  3142.46  200.953   12.334  205.140   19.085 -4.186523 22.72341 
1 1 1  -49    3   18 o  148.892   8.8190  9191.21  1061.43  9200.79  1231.30  9163.52  2094.22  148.422   10.280  143.898   18.341 4.523712 21.02543 
1 1 1  -49    3   19 o   25.301   9.1254  225.483  239.908  224.439  243.259  262.592  1450.34   25.355   9.1821   48.188   20.675 -22.83327 22.62259 
1 1 1  -49    3   20 o  134.638   9.3420  7629.46  1014.96  6991.83  1127.42 10355.70  2331.24  128.018   10.952  148.548   19.822 -20.53021 22.64648 
1 1 1  -49    3   21 o   82.548   9.0742  2904.40  598.168  3018.22  627.246  1761.55  1987.63   84.046   9.3499   62.182   25.230 21.86412 26.90693 
1 1 1  -49    3   22 o   53.480   10.299  1271.72  431.017  1368.12  441.612 -665.1249  1979.49   55.577   10.160   45.002   21.160 10.57516 23.47325 
1 1 1  -49    3   23 o   26.988   10.322  249.966  315.626  314.750  319.352 -2477.9609  2072.29   28.590   10.495   37.589   18.574 -8.999262 21.33366 
1 1 1  -49    3   24 o   44.832   13.468  1026.38  529.731  1026.38  529.731   0.0000   0.0000   44.832   13.468  ?   ?  0.000000 13.46784 
1 1 1  -49    3   25 o   34.691   12.928  612.733  487.883  612.733  487.883   0.0000   0.0000   34.691   12.928  ?   ?  0.000000 12.92799 
1 1 1  -49    5    1 o  483.644   23.219 95929.56  9118.17 95929.56  9118.17   0.0000   0.0000  483.644   23.219  ?   ?  0.000000 23.21898 
1 1 1  -49    5    2 o   68.636   8.2802  1942.83  452.137  1942.83  452.137   0.0000   0.0000   68.636   8.2802  ?   ?  0.000000 8.280197 
1 1 1  -49    5    3 f  521.694   37.098 114083.90 15612.18 114083.90 15612.18   0.0000   0.0000  521.694   37.098  ?   ?  0.000000 37.09791 
1 1 1  -49    5    4 o  617.975   44.193 162180.41 22028.78 162180.41 22028.78   0.0000   0.0000  617.975   44.193  ?   ?  0.000000 44.19334 
1 1 1  -49    5    5 o   85.256   11.861  3016.75  798.837  3016.75  798.837   0.0000   0.0000   85.256   11.861  ?   ?  0.000000 11.86104 
1 1 1  -49    5    6 o  523.238   37.529 115470.30 15838.50 115470.30 15838.50   0.0000   0.0000  523.238   37.529  ?   ?  0.000000 37.52933 
1 1 1  -49    5    7 o  113.327   8.4405  5252.64  771.109  4123.01  1211.49  6021.94  999.776   99.293   15.536  121.192   10.256 -21.89974 18.61605 
1 1 1  -49    5    8 o  376.404   15.012 57897.21  4588.03 63147.61  8078.37 55397.30  5574.29  389.872   25.662  367.051   18.766 22.82068 31.79206 
1 1 1  -49    5    9 o  529.367   21.159 115425.40  9094.83 113520.30 15875.64 116356.20 11096.14  515.481   38.202  529.650   25.801 -14.16852 46.09862 
1 1 1  -49    5   10 o  349.444   14.267 49946.75  4048.13 50821.36  7135.08 49531.58  4915.92  348.845   25.364  346.911   17.509 1.934326 30.81987 
1 1 1  -49    5   11 o  392.314   19.596 63496.50  6242.24 67858.84  8898.16 59269.35  8759.21  401.658   27.448  374.484   29.034 27.17450 39.95445 
1 1 1  -49    5   12 o  173.514   8.5392 12266.50  1203.06 13911.78  2265.04 11619.93  1419.91  183.443   15.348  168.415   10.435 15.02841 18.55910 
1 1 1  -49    5   13 o  356.897   14.651 52347.13  4245.81 55712.36  7495.21 50757.03  5152.16  362.903   25.601  349.840   18.201 13.06332 31.41095 
1 1 1  -49    5   14 o   27.853   10.890  189.641  357.095 -493.3122  1026.60  283.647  380.879   36.520   16.447   30.456   11.408 6.064821 20.01636 
1 1 1  -49    5   15 o  223.754   10.515 20539.90  1910.45 19278.11  3467.75 21089.76  2289.18  212.920   20.304  225.905   12.529 -12.98537 23.85883 
1 1 1  -49    5   16 o  141.967   8.3874  8288.58  962.540  7730.57  1884.60  8485.50  1119.58  134.144   17.738  143.349   9.6754 -9.204849 20.20483 
1 1 1  -49    5   17 o  171.621   9.4315 12190.14  1309.24  8820.07  2438.25 13555.49  1551.96  139.871   22.211  180.546   10.633 -40.67487 24.62559 
1 1 1  -49    5   18 o  146.830   9.2095  8962.71  1092.41  6723.82  2062.42  9835.77  1287.91  120.698   21.849  153.354   10.405 -32.65642 24.19991 
1 1 1  -49    5   19 o   45.005   12.456  887.956  470.652  2490.06  1383.52  678.289  500.502   72.260   21.778   40.351   13.232 31.90969 25.48285 
1 1 1  -49    5   20 o   67.481   7.3332  1907.44  395.338  2331.94  519.581  1323.79  609.248   74.228   8.7916   54.152   13.812 20.07644 16.37297 
1 1 1  -49    5   21 o   81.352   7.2185  2775.47  471.871  2759.35  629.925  2796.08  712.294   80.018   9.9071   79.888   11.296 0.1300583 15.02500 
1 1 1  -49    5   22 o  119.035   7.7665  5998.42  746.542  6551.38  1009.31  5330.45  1109.30  122.620   10.231  108.447   12.848 14.17384 16.42344 
1 1 1  -49    5   23 o   98.890   7.8539  4206.84  625.437  4788.11  804.569  3319.22  994.239  104.108   9.6269   81.453   15.601 22.65511 18.33212 
1 1 1  -49    5   24 o   41.756   10.449  830.627  353.429  715.844  429.439  1071.57  622.190   38.175   12.237   44.841   14.755 -6.666500 19.16918 
1 1 1  -49    7    1 o  274.484   23.259 31129.38  5135.09   0.0000   0.0000 31129.38  5135.09  ?   ?   274.484   23.259 0.000000 23.25923 
1 1 1  -49    7    2 f  448.673   34.020 84100.11 12301.48   0.0000   0.0000 84100.11 12301.48  ?   ?   448.673   34.020 0.000000 34.01987 
1 1 1  -49    7    3 o  416.617   29.964 72155.88 10068.55 72155.88 10068.55   0.0000   0.0000  416.617   29.964  ?   ?  0.000000 29.96412 
1 1 1  -49    7    4 o  662.423   47.695 187991.00 25481.83 187991.00 25481.83   0.0000   0.0000  662.423   47.695  ?   ?  0.000000 47.69502 
1 1 1  -49    7    5 o  623.240   44.871 165946.30 22554.85 165946.30 22554.85   0.0000   0.0000  623.240   44.871  ?   ?  0.000000 44.87061 
1 1 1  -49    7    6 o  281.383   14.968 32417.98  3407.48 29425.66  4916.37 35184.23  4727.01  266.489   22.945  292.226   20.043 -25.73645 30.46604 
1 1 1  -49    7    7 o  245.546   10.551 24553.78  2103.63 23486.48  3777.80 25033.45  2532.61  238.453   19.688  247.447   12.647 -8.994263 23.40020 
1 1 1  -49    7    8 o  523.584   25.677 113549.40 10915.97   0.0000   0.0000 113549.40 10915.97  ?   ?   523.584   25.677 0.000000 25.67662 
1 1 1  -49    7    9 o  236.984   10.267 22883.19  1975.55 23462.40  3572.07 22627.96  2371.19  238.286   18.610  235.133   12.464 3.152893 22.39831 
1 1 1  -49    7   10 o  123.065   7.1870  6181.84  715.036  6333.49  1440.92  6132.29  823.597  123.544   14.650  122.455   8.3328 1.088547 16.85365 
1 1 1  -49    7   11 o  231.409   9.9941 21837.04  1877.87 29032.35  3428.73 18753.92  2244.42  265.448   15.983  213.741   12.994 51.70688 20.59817 
1 1 1  -49    7   12 o  358.654   14.623 52796.57  4258.44 59603.95  7512.32 49573.46  5169.18  376.568   24.706  345.952   18.469 30.61685 30.84638 
1 1 1  -49    7   13 o  147.668   8.2287  8916.67  982.713 11550.15  1922.25  7984.87  1143.43  167.040   14.311  139.439   10.169 27.60124 17.55601 
1 1 1  -49    7   14 o  405.448   16.882 68209.29  5557.58 67980.65  9771.92 68318.60  6756.74  394.083   30.783  403.109   20.713 -9.025177 37.10315 
1 1 1  -49    7   15 o  310.924   13.495 40008.82  3406.94 39568.18  6072.40 40211.25  4115.76  301.466   25.034  309.907   16.415 -8.440887 29.93563 
1 1 1  -49    7   16 o   20.857   9.5994 -280.3462  374.599 -2303.6699  1089.86  -9.2901  398.902   27.492   13.563   25.396   10.868 2.095924 17.38007 
1 1 1  -49    7   17 o  166.821   9.4727 11535.21  1277.82  9959.34  2469.41 12111.47  1493.29  149.161   20.968  170.412   10.849 -21.25121 23.60838 
1 1 1  -49    7   18 o   33.794   12.394  397.690  445.257 -222.1654  1266.00  485.186  475.645   41.990   18.630   36.108   12.868 5.882248 22.64232 
1 1 1  -49    7   19 o  149.343   9.7497  9365.14  1175.78  7612.80  2338.34  9958.11  1360.24  124.810   23.945  153.335   10.998 -28.52525 26.35003 
1 1 1  -49    7   20 o   55.919   13.700  1414.88  617.124  743.648  1575.36  1536.56  670.729   52.266   21.947   58.094   14.312 -5.827965 26.20162 
1 1 1  -49    7   21 o  112.457   10.268  5451.58  927.264  4517.10  2114.04  5674.20  1031.82   87.470   27.032  114.069   11.288 -26.59885 29.29399 
1 1 1  -49    7   22 o   71.974   12.586  2376.32  708.720  570.304  1687.98  2762.83  780.884   48.485   21.512   77.537   12.853 -29.05272 25.05960 
1 1 1  -49    7   23 o   48.671   14.470  1190.13  613.844 -115.7579  2021.16  1322.82  644.276   44.339   21.009   51.121   14.722 -6.781769 25.65381 
1 1 1  -49    7   24 o   38.706   14.500  754.398  615.345   0.0000   0.0000  754.398  615.345  ?   ?    38.706   14.500 0.000000 14.50018 
1 1 1  -49    9    1 o  297.131   24.740 36548.54  5914.52   0.0000   0.0000 36548.54  5914.52  ?   ?   297.131   24.740 0.000000 24.73989 
1 1 1  -49    9    2 o  386.296   30.264 62145.85  9416.53   0.0000   0.0000 62145.85  9416.53  ?   ?   386.296   30.264 0.000000 30.26356 
1 1 1  -49    9    3 o  205.326   13.532 17260.68  2243.40 18488.37  2925.23 15507.39  3495.75  212.016   17.139  193.026   22.740 18.98990 28.47581 
1 1 1  -49    9    4 o  255.800   19.986 26976.64  4118.07 26976.64  4118.07   0.0000   0.0000  255.800   19.986  ?   ?  0.000000 19.98560 
1 1 1  -49    9    5 o  428.466   22.352 75674.37  7749.22 65743.44 11071.13 85213.09 10850.30  394.960   34.881  452.186   29.717 -57.22546 45.82355 
1 1 1  -49    9    6 o  120.082   8.7812  5897.68  850.252  3946.07  1288.29  7403.81  1131.74   96.817   17.009  134.440   10.450 -37.62364 19.96220 
1 1 1  -49    9    7 o  299.479   15.815 36783.57  3832.10 34024.44  5505.26 39377.04  5337.44  286.114   23.917  308.612   21.433 -22.49786 32.11514 
1 1 1  -49    9    8 o  272.147   14.141 30347.20  3114.13   0.0000   0.0000 30347.20  3114.13  ?   ?   272.147   14.141 0.000000 14.14146 
1 1 1  -49    9    9 o  528.203   20.628 115047.60  8847.08 131451.80 15465.37 107068.00 10786.30  556.067   34.422  506.477   26.319 49.58997 43.33103 
1 1 1  -49    9   10 f  250.479   10.378 25585.71  2110.68 35349.57  3834.97 21342.89  2528.01  293.050   16.180  227.986   13.720 65.06352 21.21371 
1 1 1  -49    9   11 o  264.442   11.378 28565.48  2443.10 29848.52  4414.23 27998.91  2933.33  267.754   20.459  261.055   13.888 6.698944 24.72757 
1 1 1  -49    9   12 o  415.614   16.925 71238.79  5711.67 72806.38 10045.07 70489.82  6943.33  412.255   30.219  411.275   20.860 0.9802856 36.72009 
1 1 1  -49    9   13 o  347.657   14.447 49759.39  4078.29 52494.45  7229.54 48482.77  4939.21  351.151   25.531  341.478   17.876 9.672852 31.16664 
1 1 1  -49    9   14 o   30.430   10.795  328.684  334.377 -1116.7610  1087.17  479.707  351.412   33.395   15.696   34.582   11.068 -1.187523 19.20544 
1 1 1  -49    9   15 o  272.299   12.131 30647.73  2682.20 30681.35  4826.14 30632.70  3226.35  265.920   22.565  270.724   14.733 -4.804047 26.94845 
1 1 1  -49    9   16 f  205.636   10.401 17521.41  1731.08 15544.22  3244.27 18308.40  2046.81  187.440   21.719  209.482   12.085 -22.04182 24.85467 
1 1 1  -49    9   17 o  100.723   9.0013  4222.32  728.402  185.644  1638.73  5216.22  813.146   50.904   21.912  112.026   9.0158 -61.12246 23.69409 
1 1 1  -49    9   18 f  105.522   9.3179  4660.70  790.166  4301.80  1774.55  4749.45  882.479   94.538   23.274  106.156   10.371 -11.61703 25.47953 
1 1 1  -49    9   19 o  171.264   10.158 12365.88  1406.24 10231.45  2698.22 13161.83  1647.70  144.484   23.830  175.721   11.614 -31.23660 26.50978 
1 1 1  -49    9   20 f   48.487   13.285  1061.50  538.497  1360.60  1365.89  1006.46  585.957   56.206   21.478   47.269   14.157 8.937160 25.72393 
1 1 1  -49    9   21 o  105.654   10.404  4842.30  880.976  524.501  2158.29  5705.52  965.029   53.276   23.933  114.700   10.478 -61.42453 26.12644 
1 1 1  -49    9   22 o   42.683   13.739  851.089  540.944 -880.2527  1920.83  1000.23  563.762   42.327   20.176   45.829   13.922 -3.501968 24.51357 
1 1 1  -49    9   23 o   56.080   15.682  1658.39  741.974  4201.68  1906.49  1204.42  805.477   73.455   25.805   47.536   16.766 25.91926 30.77299 
1 1 1  -49    9   24 o   24.766   11.508 -234.7518  557.592   0.0000   0.0000 -234.7518  557.592  ?   ?    24.766   11.508 0.000000 11.50822 
1 1 1  -49   11    4 o  202.912   12.002 16836.49  1968.69 15575.06  3000.41 17790.12  2608.78  193.997   19.304  208.108   15.551 -14.11082 24.78897 
1 1 1  -49   11    5 o  590.425   29.165 144866.50 13981.65 145117.80 19935.24 144623.30 19614.74  582.165   42.466  581.625   41.813 0.5394897 59.59599 
1 1 1  -49   11    6 o  107.419   8.4089  4723.11  727.578  6171.78  1141.69  3732.41  944.133  122.506   11.616   94.842   12.570 27.66380 17.11555 
1 1 1  -49   11    7 o  136.544   9.5889  7629.08  1056.38  7408.29  1602.13  7798.91  1405.08  133.773   15.009  137.660   12.714 -3.887131 19.67023 
1 1 1  -49   11    8 o   62.382   11.987  1641.10  585.082   0.0000   0.0000  1641.10  585.082  ?   ?    62.382   11.987 0.000000 11.98658 
1 1 1  -49   11    9 o  510.750   19.325 107502.90  8014.36 126329.40 14063.81 98449.18  9752.87  545.936   31.865  485.858   24.805 60.07858 40.38134 
1 1 1  -49   11   10 o  103.402   7.1230  4371.34  594.397  5341.25  1313.19  4121.42  666.592  113.240   14.624  100.262   8.2617 12.97707 16.79614 
1 1 1  -49   11   11 o  117.459   7.7049  5642.41  730.760  3531.25  1545.09  6250.73  829.385   90.433   21.379  123.584   8.3136 -33.15057 22.93872 
1 1 1  -49   11   12 o  140.981   8.0697  8127.86  919.917  8157.71  1883.95  8118.51  1054.13  139.541   16.978  140.736   9.2767 -1.194824 19.34664 
1 1 1  -49   11   13 f  252.594   10.902 26143.57  2236.05 31187.13  4104.53 24015.02  2666.47  272.903   18.635  241.088   13.678 31.81561 23.11558 
1 1 1  -49   11   14 o  137.427   8.3013  7750.94  921.963 10009.57  1924.49  7078.16  1050.34  154.330   15.571  130.990   9.9497 23.34056 18.47805 
1 1 1  -49   11   15 f  231.926   11.005 22221.32  2072.37 21278.04  3855.77 22604.51  2457.51  220.597   21.812  232.763   13.056 -12.16580 25.42090 
1 1 1  -49   11   16 o  188.477   10.141 14743.84  1546.30 12096.02  2965.36 15732.71  1812.19  163.499   22.971  194.090   11.551 -30.59171 25.71154 
1 1 1  -49   11   17 f  114.139   8.9173  5420.06  819.860  4751.83  1850.12  5583.34  914.560  100.299   23.182  115.555   9.8411 -15.25536 25.18462 
1 1 1  -49   11   18 o   52.544   13.285  1223.54  567.132  467.075  1288.64  1405.25  631.586   47.813   19.947   56.175   13.918 -8.362453 24.32264 
1 1 1  -49   11   19 f  119.476   10.360  6065.87  995.128  5200.68  2179.97  6293.62  1118.46   98.966   26.570  121.091   11.514 -22.12527 28.95732 
1 1 1  -49   11   20 o   42.807   13.800  807.571  545.619 -677.7161  1731.44  971.328  574.910   43.800   20.328   46.343   14.055 -2.543686 24.71335 
1 1 1  -49   11   21 o   63.084   13.216  1838.57  655.261  1577.74  1983.28  1870.54  694.248   58.163   24.535   63.264   13.895 -5.100475 28.19629 
1 1 1  -49   11   22 o  112.855   13.731  6015.32  1232.28  3718.30  2641.68  6654.16  1393.14   67.523   28.390  117.252   14.975 -49.72948 32.09772 
1 1 1  -49   11   23 o   42.877   16.024  948.812  750.616  4156.64  2398.28  600.459  790.322   64.061   26.999   38.217   15.754 25.84344 31.25903 
1 1 1  -49   11   24 o   25.632   12.292 -539.7490  736.205   0.0000   0.0000 -539.7490  736.205  ?   ?    25.632   12.292 0.000000 12.29161 
1 1 1  -49   13    1 o  964.461   76.243 435557.09 59220.02   0.0000   0.0000 435557.09 59220.02  ?   ?   964.461   76.243 0.000000 76.24319 
1 1 1  -49   13    2 o  558.984   42.485 133556.41 19138.70   0.0000   0.0000 133556.41 19138.70  ?   ?   558.984   42.485 0.000000 42.48513 
1 1 1  -49   13    3 f  197.086   11.970 15889.31  1906.49   0.0000   0.0000 15889.31  1906.49  ?   ?   197.086   11.970 0.000000 11.97022 
1 1 1  -49   13    4 o  397.850   16.610 64775.25  5365.67 56236.41  9331.24 68993.34  6558.40  365.621   31.747  409.938   19.703 -44.31747 37.36439 
1 1 1  -49   13    5 o  420.882   22.041 73186.54  7506.17 69615.85 10859.48 76453.23 10386.94  406.006   33.232  427.021   30.151 -21.01514 44.87163 
1 1 1  -49   13    6 o  287.643   16.223 33990.11  3773.63 29493.23  5520.44 37934.48  5170.19  265.387   25.951  302.717   21.168 -37.33023 33.48902 
1 1 1  -49   13    7 o  157.708   11.116 10192.60  1414.32  7313.62  2146.63 12400.97  1880.07  131.664   20.768  173.693   13.435 -42.02919 24.73467 
1 1 1  -49   13    8 o  251.726   19.544 26269.60  3963.38   0.0000   0.0000 26269.60  3963.38  ?   ?   251.726   19.544 0.000000 19.54419 
1 1 1  -49   13    9 o  183.174   11.634 13758.70  1721.33 14994.74  2637.49 12841.59  2271.88  190.165   17.270  176.129   16.063 14.03552 23.58499 
1 1 1  -49   13   10 o  101.543   7.4161  4219.97  607.228  3858.54  1523.64  4288.21  662.080   94.750   20.407  102.294   8.0358 -7.543877 21.93254 
1 1 1  -49   13   11 o  267.375   11.222 29240.67  2436.33 32740.64  4520.88 27808.18  2892.26  280.004   20.017  259.909   13.754 20.09525 24.28660 
1 1 1  -49   13   12 f  277.632   11.505 31596.48  2593.56 37704.45  4807.94 29089.70  3080.14  299.845   19.861  265.314   14.351 34.53067 24.50302 
1 1 1  -49   13   13 o  103.729   8.2004  4423.48  685.045  3836.10  1644.95  4546.72  753.495   93.278   22.064  105.055   8.9176 -11.77724 23.79824 
1 1 1  -49   13   14 o   91.913   8.8557  3495.84  652.726  451.254  1624.41  4082.08  712.803   53.972   22.446   99.369   8.9298 -45.39714 24.15664 
1 1 1  -49   13   15 o   30.740   12.102  233.012  443.615  803.964  1370.45  166.185  468.858   53.513   21.207   30.194   12.253 23.31968 24.49201 
1 1 1  -49   13   16 o   95.037   9.5217  3773.24  724.876  1757.32  1827.08  4149.82  789.684   66.556   24.975   99.600   9.8957 -33.04418 26.86444 
1 1 1  -49   13   17 o   51.939   12.764  1185.92  534.463  152.609  1647.71  1307.42  565.012   50.154   21.779   54.507   12.957 -4.352757 25.34172 
1 1 1  -49   13   18 o  174.816   10.208 12872.73  1442.68 13090.25  3054.36 12810.26  1636.76  164.372   23.559  173.422   11.692 -9.050095 26.30065 
1 1 1  -49   13   19 o   55.259   13.255  1377.49  587.110 -341.3692  1833.64  1573.83  619.737   47.454   21.612   59.131   13.238 -11.67724 25.34430 
1 1 1  -49   13   20 o   35.162   13.964  370.946  595.406  1180.53  1585.49  238.028  642.427   54.474   22.368   34.073   14.138 20.40104 26.46137 
1 1 1  -49   13   21 o   27.356   12.430 -222.3503  601.939  234.045  2112.84 -262.6659  627.963   49.510   22.791   27.578   12.594 21.93154 26.03931 
1 1 1  -49   13   22 o   45.506   17.094  1034.15  856.363  145.135  2483.31  1154.14  912.326   47.812   22.833   47.293   17.668 0.5190849 28.87022 
1 1 1  -49   13   23 o   50.305   16.731  1476.72  799.122 -418.5408  2347.54  1725.12  849.878   41.413   20.327   53.889   17.208 -12.47622 26.63248 
1 1 1  -49   15    1 f  207.017   22.334 17847.22  3694.72   0.0000   0.0000 17847.22  3694.72  ?   ?   207.017   22.334 0.000000 22.33422 
1 1 1  -49   15    2 o  157.150   22.237 10366.62  2758.30   0.0000   0.0000 10366.62  2758.30  ?   ?   157.150   22.237 0.000000 22.23749 
1 1 1  -49   15    3 o  337.311   18.439 46817.14  5030.96   0.0000   0.0000 46817.14  5030.96  ?   ?   337.311   18.439 0.000000 18.43870 
1 1 1  -49   15    4 o  157.561   10.965 10166.94  1394.04  7324.11  2587.82 11329.16  1654.64  130.846   25.273  166.181   12.351 -35.33517 28.12919 
1 1 1  -49   15    5 o  397.055   23.370 65440.80  7501.12 48073.04 10944.03 80829.00 10301.47  332.149   41.484  438.870   29.073 -106.7215 50.65739 
1 1 1  -49   15    6 o  384.797   21.875 61385.77  6806.58 49426.67  9911.42 72059.88  9363.81  338.784   36.613  414.351   27.996 -75.56729 46.09032 
1 1 1  -49   15    7 o  293.366   16.718 35453.16  3965.89 32299.75  5864.63 38110.35  5383.45  276.970   26.397  302.611   22.062 -25.64127 34.40254 
1 1 1  -49   15    8 o  347.835   19.319 50098.02  5434.67 43640.80  7902.79 55891.68  7485.73  319.750   30.821  364.911   25.423 -45.16150 39.95322 
1 1 1  -49   15    9 o  349.819   19.001 50737.64  5376.83 47934.15  7811.20 53262.21  7412.44  335.415   28.965  355.340   25.868 -19.92487 38.83512 
1 1 1  -49   15   10 o  121.043   7.8245  5994.48  764.894  7358.91  1777.79  5684.52  847.332  132.495   16.911  117.716   8.9316 14.77879 19.12442 
1 1 1  -49   15   11 o  108.150   9.3996  4814.30  817.208  5290.00  1769.12  4685.27  921.403  110.882   20.402  106.443   10.811 4.439110 23.08892 
1 1 1  -49   15   12 o   14.613   7.1361 -522.7842  278.388 -1643.3940  1071.97 -441.7414  288.279   30.165   14.559   15.771   7.5959 14.39411 16.42120 
1 1 1  -49   15   13 o   15.816   7.7401 -642.7269  332.781 -240.5107  1164.92 -678.4669  347.252   41.009   18.048   16.095   7.8829 24.91402 19.69451 
1 1 1  -49   15   14 o   99.049   8.8165  4063.23  701.646  3988.79  1822.62  4076.18  760.237   93.200   23.954   99.035   9.5736 -5.834061 25.79627 
1 1 1  -49   15   15 o  171.900   9.8248 12265.47  1365.62 12048.46  2907.46 12326.90  1546.88  163.117   22.556  171.794   11.150 -8.676682 25.16094 
1 1 1  -49   15   16 o  128.174   9.2936  6844.46  960.648  7061.89  2347.55  6800.72  1052.83  121.668   24.608  127.408   10.264 -5.739807 26.66321 
1 1 1  -49   15   17 o  167.802   10.256 11833.72  1390.65 10140.06  3086.11 12265.25  1557.77  141.116   27.922  170.211   11.336 -29.09459 30.13585 
1 1 1  -49   15   18 o   40.171   13.901  657.340  552.260 -3042.6560  1905.40  996.671  577.029   37.382   18.341   47.313   14.021 -9.931293 23.08608 
1 1 1  -49   15   19 o   57.974   14.356  1548.94  672.213 -347.5268  2205.74  1743.11  705.787   50.501   23.262   61.537   14.383 -11.03683 27.34954 
1 1 1  -49   15   20 f   85.742   12.695  3321.03  857.097  5301.13  2627.58  3085.25  906.691   87.224   30.313   81.593   14.202 5.631714 33.47527 
1 1 1  -49   15   21 o   51.607   17.011  1362.98  826.837  1007.14  2676.23  1400.53  869.369   54.021   25.139   52.090   17.453 1.930653 30.60308 
1 1 1  -49   15   22 o   30.325   14.016 -240.8599  810.747  725.953  2317.31 -375.7101  865.443   47.363   22.458   30.235   14.144 17.12858 26.54056 
1 1 1  -49   15   23 o   23.953   11.562 -657.7258  676.387  1811.27  3177.50 -774.9124  692.253   45.914   22.743   23.570   11.452 22.34352 25.46388 
1 1 1  -49   17    1 o  204.794   23.932 17575.66  3904.42   0.0000   0.0000 17575.66  3904.42  ?   ?   204.794   23.932 0.000000 23.93152 
1 1 1  -49   17    2 o  323.629   19.416 43223.34  5078.37   0.0000   0.0000 43223.34  5078.37  ?   ?   323.629   19.416 0.000000 19.41561 
1 1 1  -49   17    3 o  213.925   12.248 18739.84  2118.70 15468.31  4165.46 19881.60  2460.79  190.764   27.702  220.112   13.839 -29.34781 30.96676 
1 1 1  -49   17    4 o  297.467   14.594 36213.88  3525.01 34900.28  6394.84 36787.24  4224.84  287.832   27.704  298.799   17.490 -10.96671 32.76336 
1 1 1  -49   17    5 o   67.492   11.897  1914.14  628.170  1167.11  1265.27  2158.50  723.654   58.014   20.952   71.597   12.923 -13.58312 24.61672 
1 1 1  -49   17    6 o  144.543   12.174  8596.06  1415.47  5420.89  2364.68 10369.03  1767.01  111.707   26.475  158.562   13.864 -46.85532 29.88554 
1 1 1  -49   17    7 o  186.390   16.534 14395.78  2476.31   0.0000   0.0000 14395.78  2476.31  ?   ?   186.390   16.534 0.000000 16.53398 
1 1 1  -49   17    8 o  214.807   13.548 18990.28  2350.81 21044.16  3711.16 17613.88  3038.04  224.247   20.613  205.658   18.387 18.58893 27.62186 
1 1 1  -49   17    9 o  308.497   17.089 39455.04  4263.97 41576.75  6351.34 37714.10  5753.26  312.978   25.206  298.644   23.927 14.33438 34.75412 
1 1 1  -49   17   10 o  277.564   16.272 32006.36  3651.17 30675.32  5454.71 33086.81  4914.50  267.386   25.431  279.733   21.809 -12.34686 33.50167 
1 1 1  -49   17   11 o  279.462   16.201 32607.89  3660.38 30356.51  5682.58 34204.48  4785.39  263.306   26.960  283.669   20.924 -20.36285 34.12677 
1 1 1  -49   17   12 o   22.504   9.7994 -58.8320  335.454 -1147.7860  1144.52   43.506  350.863   34.236   16.096   24.766   10.376 9.470778 19.15036 
1 1 1  -49   17   13 o   19.352   8.9482 -269.0169  330.973 -1063.6050  1253.49 -209.4683  343.151   36.707   17.122   20.570   9.3611 16.13679 19.51435 
1 1 1  -49   17   14 o   56.917   12.041  1399.75  539.114 -722.8201  1651.29  1652.98  570.368   45.227   20.564   62.037   11.753 -16.81058 23.68571 
1 1 1  -49   17   15 o  228.046   11.719 21840.67  2162.56 17751.39  4395.80 23146.40  2483.94  189.823   29.476  233.789   13.138 -43.96614 32.27165 
1 1 1  -49   17   16 o  178.863   10.676 13450.50  1543.38 12743.05  3421.94 13631.16  1729.25  160.098   27.303  179.295   11.947 -19.19681 29.80240 
1 1 1  -49   17   17 o   48.117   13.907  1029.06  573.982 -31.2384  1955.52  1129.02  600.430   51.475   22.977   50.245   14.127 1.229538 26.97235 
1 1 1  -49   17   18 o   45.102   14.303  900.890  587.922  1998.46  2126.40  810.041  611.771   65.549   26.271   43.431   14.640 22.11835 30.07471 
1 1 1  -49   17   19 o   79.053   12.752  2810.17  790.677  2777.59  2543.23  2813.66  831.903   69.236   28.368   78.652   13.513 -9.416840 31.42173 
1 1 1  -49   17   20 o   58.162   17.887  1742.08  926.968  2819.07  2681.33  1595.89  987.880   65.033   28.011   55.561   18.604 9.472111 33.62645 
1 1 1  -49   17   21 o   32.462   14.816 -150.3965  867.481 -3049.6780  2745.47  171.159  914.322   40.644   20.297   35.920   15.890 4.724251 25.77676 
1 1 1  -49   17   22 o   32.235   14.821 -57.4425  889.885 -4440.2969  3085.74  340.129  929.370   37.360   18.992   35.993   15.966 1.366741 24.81175 
1 1 1  -49   19    1 o  439.630   36.077 82975.36 12764.61   0.0000   0.0000 82975.36 12764.61  ?   ?   439.630   36.077 0.000000 36.07673 
1 1 1  -49   19    2 o  374.095   20.527 57956.50  6211.33   0.0000   0.0000 57956.50  6211.33  ?   ?   374.095   20.527 0.000000 20.52706 
1 1 1  -49   19    3 o  250.299   17.218 25872.04  3477.91   0.0000   0.0000 25872.04  3477.91  ?   ?   250.299   17.218 0.000000 17.21750 
1 1 1  -49   19    4 o  269.888   15.093 29964.92  3294.15 25372.63  6225.42 31750.75  3882.17  242.491   32.430  277.268   17.331 -34.77678 36.77078 
1 1 1  -49   19    5 o   87.948   11.535  3213.53  803.886  3359.26  1788.15  3176.61  899.957   88.299   24.215   87.147   13.126 1.152641 27.54341 
1 1 1  -49   19    6 o  265.038   16.619 29046.29  3558.25 26638.94  5621.05 30656.00  4596.44  249.525   28.241  270.847   21.066 -21.32292 35.23270 
1 1 1  -49   19    7 o  281.689   17.104 32894.29  3893.58 30764.38  6035.20 34412.80  5095.90  267.693   28.190  286.192   22.101 -18.49951 35.82048 
1 1 1  -49   19    8 o  265.948   16.985 29404.86  3648.56 24216.28  5638.81 33141.59  4785.30  235.291   30.213  280.634   21.156 -45.34290 36.88371 
1 1 1  -49   19    9 o  393.580   21.427 65506.17  6821.88 67429.39 10106.27 63896.36  9246.20  389.757   32.223  381.422   30.100 8.335541 44.09467 
1 1 1  -49   19   10 o   76.822   25.170  2503.43  1811.12  2503.43  1811.12   0.0000   0.0000   76.822   25.170  ?   ?  0.000000 25.16970 
1 1 1  -49   19   11 o  175.984   10.246 12786.61  1457.71  7292.77  3271.51 14147.55  1628.29  123.634   32.251  184.946   10.891 -61.31226 34.04063 
1 1 1  -49   19   12 o  204.622   10.820 17361.00  1791.26 14084.51  3825.61 18281.03  2027.20  174.326   27.973  209.506   11.967 -35.17982 30.42519 
1 1 1  -49   19   13 o  396.985   17.941 67910.45  5783.12 60347.37 10726.94 71009.39  6866.46  337.271   39.947  401.018   21.163 -63.74722 45.20613 
1 1 1  -49   19   14 o  147.192   9.3083  9003.30  1106.76  9170.75  2738.84  8970.62  1209.95  139.251   25.149  146.575   10.231 -7.323410 27.14990 
1 1 1  -49   19   15 o  158.309   10.066 10495.48  1287.22  7332.12  3098.67 11155.22  1415.09  116.755   31.817  162.876   10.761 -46.12054 33.58790 
1 1 1  -49   19   16 o  150.964   10.337  9618.78  1259.42  7250.94  3099.80 10086.92  1378.31  112.892   32.225  154.175   11.084 -41.28353 34.07833 
1 1 1  -49   19   17 o   72.327   11.974  2295.33  678.621  4173.75  2384.84  2129.83  707.886   85.586   28.905   69.133   13.090 16.45313 31.73102 
1 1 1  -49   19   18 o   25.047   11.525 -329.9539  539.409  115.000  2308.81 -355.6432  554.762   53.080   24.204   25.218   11.634 27.86155 26.85529 
1 1 1  -49   19   19 o   72.518   18.804  2709.96  1116.52  3073.67  2940.78  2648.70  1206.88   67.903   29.291   70.570   20.095 -2.666954 35.52116 
1 1 1  -49   19   20 o   23.987   11.623 -925.2039  700.180 -1805.2000  2827.58 -867.7193  722.688   44.925   22.102   24.836   11.978 20.08967 25.13907 
1 1 1  -49   19   21 o   36.364   16.370  198.506  1015.80 -2900.6370  3333.82  515.671  1066.51   41.914   21.125   39.491   17.327 2.422913 27.32197 
1 1 1  -49   21    1 f  436.694   23.365 79808.14  8254.83   0.0000   0.0000 79808.14  8254.83  ?   ?   436.694   23.365 0.000000 23.36525 
1 1 1  -49   21    2 f  242.811   15.949 24357.97  3127.02   0.0000   0.0000 24357.97  3127.02  ?   ?   242.811   15.949 0.000000 15.94948 
1 1 1  -49   21    3 o  315.357   18.345 41259.93  4677.22   0.0000   0.0000 41259.93  4677.22  ?   ?   315.357   18.345 0.000000 18.34543 
1 1 1  -49   21    4 o  185.287   13.392 14157.37  2001.24 12008.43  4196.54 14789.93  2276.81  164.420   32.586  189.046   14.955 -24.62614 35.85341 
1 1 1  -49   21    5 o  563.922   26.631 135078.09 12193.75 119494.70 21659.54 142308.80 14753.92  494.882   54.824  572.691   31.854 -77.80905 63.40615 
1 1 1  -49   21    6 o  398.118   21.362 66677.07  6880.07   0.0000   0.0000 66677.07  6880.07  ?   ?   398.118   21.362 0.000000 21.36151 
1 1 1  -49   21    7 o   55.369   15.418  1307.28  718.758  1194.65  1841.98  1327.51  780.643   63.878   24.801   55.956   16.232 7.922256 29.64073 
1 1 1  -49   21    8 o  296.060   18.508 36937.99  4426.94 33722.44  6910.78 39175.75  5765.09  273.443   31.715  301.432   23.747 -27.98874 39.62005 
1 1 1  -49   21    9 o   55.571   15.530  1327.58  727.859  2695.49  1866.24  1082.18  790.455   78.865   25.533   51.379   16.615 27.48576 30.46333 
1 1 1  -49   21   10 o  183.931   26.365 15294.26  3824.84 15294.26  3824.84   0.0000   0.0000  183.931   26.365  ?   ?  0.000000 26.36462 
1 1 1  -49   21   11 o   55.413   16.994  1317.19  837.349 -823.6583  2227.85  1669.37  903.603   52.925   23.995   61.672   17.328 -8.746513 29.59743 
1 1 1  -49   21   12 o   82.932   8.6926  2862.95  576.640  2995.68  2351.00  2854.46  594.809   81.263   28.646   82.734   8.9995 -1.470596 30.02613 
1 1 1  -49   21   13 o  182.077   10.136 13817.12  1492.55 17014.40  3948.36 13284.06  1612.18  189.114   26.436  178.007   11.211 11.10631 28.71497 
1 1 1  -49   21   14 o   56.148   11.197  1366.30  492.585  1102.83  2222.70  1379.90  505.146   62.744   26.188   56.370   11.428 6.373608 28.57284 
1 1 1  -49   21   15 o   27.998   11.608  110.020  432.591  3483.85  2209.07 -24.5173  441.132   81.907   27.819   26.166   11.316 55.74145 30.03210 
1 1 1  -49   21   16 o   22.390   10.320 -303.0076  435.203 -91.8296  2266.10 -311.0948  443.458   53.480   24.228   22.567   10.408 30.91300 26.36849 
1 1 1  -49   21   17 o   31.580   12.843  230.245  516.445  1745.84  2747.72  174.743  525.816   64.656   28.101   30.927   12.808 33.72918 30.88194 
1 1 1  -49   21   18 o   86.885   19.117  3834.03  1312.03  9234.23  3329.53  2841.33  1427.54  111.439   33.829   71.703   22.222 39.73569 40.47528 
1 1 1  -49   21   19 o   77.823   19.564  3301.62  1234.91  666.867  3484.96  3679.97  1320.61   55.168   26.531   81.814   20.039 -26.64524 33.24807 
1 1 1  -49   21   20 o   72.882   20.457  3246.14  1260.15 -680.8714  3811.31  3728.13  1335.25   48.239   24.061   78.186   20.705 -29.94788 31.74346 
1 1 1  -49   21   21 o   43.119   18.001  1089.45  1050.41 -676.1546  3985.76  1221.23  1088.91   43.606   22.107   44.473   18.426 -0.8667831 28.77905 
1 1 1  -49   23    1 o  166.999   14.966 11602.82  2007.87   0.0000   0.0000 11602.82  2007.87  ?   ?   166.999   14.966 0.000000 14.96632 
1 1 1  -49   23    2 o  222.971   16.640 20727.74  2990.84   0.0000   0.0000 20727.74  2990.84  ?   ?   222.971   16.640 0.000000 16.63971 
1 1 1  -49   23    3 o  151.052   14.543  9506.25  1761.65   0.0000   0.0000  9506.25  1761.65  ?   ?   151.052   14.543 0.000000 14.54307 
1 1 1  -49   23    4 o  106.994   13.285  4788.64  1129.30  3488.64  3107.09  4986.52  1212.20   92.483   32.896  109.037   14.016 -16.55429 35.75745 
1 1 1  -49   23    5 o  158.613   15.655 10549.10  1989.87   0.0000   0.0000 10549.10  1989.87  ?   ?   158.613   15.655 0.000000 15.65493 
1 1 1  -49   23    6 o   95.294   13.924  3837.36  1045.62  4997.17  2686.46  3630.29  1135.12  104.396   30.062   92.152   15.736 12.24454 33.93111 
1 1 1  -49   23    7 o   64.493   15.579  1805.43  806.627  817.401  2205.78  1957.95  866.654   63.829   26.316   67.100   16.110 -3.270943 30.85596 
1 1 1  -49   23    8 o   76.918   15.369  2560.86  926.276  2128.46  2327.37  2642.25  1009.69   75.046   28.183   77.866   16.484 -2.819450 32.64948 
1 1 1  -49   23    9 o  105.689   30.054  5350.79  2701.45  5350.79  2701.45   0.0000   0.0000  105.689   30.054  ?   ?  0.000000 30.05388 
1 1 1  -49   23   10 o   41.808   16.688  424.260  854.371  659.750  2210.32  382.894  926.375   61.500   25.920   42.509   17.233 18.99125 31.12535 
1 1 1  -49   23   11 o   60.422   17.935  1613.24  943.638  767.167  2490.06  1755.13  1019.70   64.257   27.317   62.842   18.642 1.415604 33.07197 
1 1 1  -49   23   12 o  180.760   16.231 14190.66  2356.80  9408.83  4218.93 16359.79  2841.50  128.389   37.876  192.424   18.411 -64.03545 42.11415 
1 1 1  -49   23   13 o  130.956   9.4871  7171.46  1001.94  7390.59  3348.28  7149.90  1050.06  115.071   33.685  130.556   9.9812 -15.48471 35.13221 
1 1 1  -49   23   14 o   31.189   11.720  320.194  402.604  3365.42  2895.42  260.155  406.553   80.581   31.148   30.055   11.657 50.52581 33.25776 
1 1 1  -49   23   15 o   24.014   10.597 -89.9439  404.186  2747.29  3009.46 -142.0617  407.882   74.102   30.662   23.429   10.473 50.67233 32.40111 
1 1 1  -49   23   16 o  140.953   10.447  8527.52  1187.16  5576.54  4191.46  8784.90  1237.85   85.440   35.834  142.848   10.751 -57.40798 37.41209 
1 1 1  -49   23   17 o   91.188   21.389  4407.23  1556.29  5276.83  3964.67  4248.83  1692.10   78.638   33.965   87.188   23.409 -8.549782 41.25071 
1 1 1  -49   23   18 o   72.779   21.218  3027.99  1330.98  4468.40  4102.94  2858.58  1407.07   67.989   31.461   69.547   22.135 -1.557381 38.46751 
1 1 1  -49   23   19 o   35.046   16.445 -386.5787  1185.37  6662.16  4143.81 -1014.7740  1237.06   66.850   31.166   32.448   15.655 34.40179 34.87700 
1 1 1  -49   23   20 o   50.986   20.951  1905.42  1392.33 -2531.7930  4735.49  2325.31  1456.72   43.807   22.381   54.574   21.789 -10.76676 31.23577 
1 1 1  -49   25    1 o  163.093   16.155 11205.14  2111.26   0.0000   0.0000 11205.14  2111.26  ?   ?   163.093   16.155 0.000000 16.15541 
1 1 1  -49   25    2 o   73.399   16.582  2339.23  964.968   0.0000   0.0000  2339.23  964.968  ?   ?    73.399   16.582 0.000000 16.58240 
1 1 1  -49   25    3 o  104.548   15.782  4659.23  1298.03   0.0000   0.0000  4659.23  1298.03  ?   ?   104.548   15.782 0.000000 15.78212 
1 1 1  -49   25    4 o  121.394   15.470  6249.92  1490.15   0.0000   0.0000  6249.92  1490.15  ?   ?   121.394   15.470 0.000000 15.46963 
1 1 1  -49   25    5 o  202.362   14.764 17190.91  2409.21 17738.82  5416.19 17055.76  2689.99  191.148   36.223  200.669   16.660 -9.520844 39.87033 
1 1 1  -49   25    6 o  177.769   14.555 13302.59  2082.45 14814.19  4857.73 12962.26  2304.99  173.761   35.627  174.614   16.451 -0.8531342 39.24164 
1 1 1  -49   25    7 o   83.255   15.621  3007.73  1017.17  860.712  2840.50  3323.55  1089.42   69.206   29.287   87.524   15.916 -18.31802 33.33194 
1 1 1  -49   25    8 o   95.682   33.623  4387.67  3236.94  4387.67  3236.94   0.0000   0.0000   95.682   33.623  ?   ?  0.000000 33.62317 
1 1 1  -49   25    9 o   99.597   16.479  4336.04  1286.07  6082.50  3257.40  4013.53  1399.79  108.827   33.542   94.758   18.856 14.06937 38.47873 
1 1 1  -49   25   10 o  170.588   16.857 12661.03  2304.30  5908.50  4558.71 14978.42  2670.59  103.679   39.329  184.795   18.028 -81.11579 43.26392 
1 1 1  -49   25   11 o  111.436   16.344  5472.25  1434.88  8002.92  3331.80  4896.02  1589.86  122.142   32.871  103.564   19.625 18.57800 38.28362 
1 1 1  -49   25   12 o  182.562   16.579 14712.28  2430.79 15679.23  4702.41 14359.69  2839.61  166.395   35.862  177.116   20.101 -10.72110 41.11140 
1 1 1  -49   25   13 o  168.097   10.284 11927.73  1396.92 13188.48  4702.83 11805.72  1462.95  142.622   39.335  166.870   10.856 -24.24745 40.80563 
1 1 1  -49   25   14 o   31.092   12.139  281.032  443.212 -4339.5508  3043.93  381.114  447.986   46.118   22.736   33.122   12.379 12.99603 25.88724 
1 1 1  -49   25   15 o   19.371   9.1553 -403.3623  379.241  359.519  3144.82 -414.6201  382.029   59.727   27.605   19.357   9.1609 40.37031 29.08527 
1 1 1  -49   25   16 o   46.326   19.311  704.016  1206.49 -5918.1738  3965.88  1379.40  1266.53   47.124   23.656   53.859   20.658 -6.734810 31.40663 
1 1 1  -49   25   17 o   78.238   24.058  3816.03  1676.95 11166.21  5598.38  3091.52  1757.66   82.651   37.690   68.979   24.720 13.67196 45.07290 
1 1 1  -49   25   18 o   78.139   24.486  4278.59  1727.84 17829.61  5416.06  2743.17  1823.10   94.297   40.192   60.828   24.344 33.46843 46.98999 
1 1 1  -49   25   19 o   45.198   20.126  1170.24  1490.59 13359.65  5634.63  253.006  1545.66   63.263   31.138   39.926   18.749 23.33697 36.34726 
1 1 1  -49   27    1 o  148.808   17.725  9504.96  2099.47   0.0000   0.0000  9504.96  2099.47  ?   ?   148.808   17.725 0.000000 17.72451 
1 1 1  -49   27    2 o  190.332   17.340 15463.70  2650.32   0.0000   0.0000 15463.70  2650.32  ?   ?   190.332   17.340 0.000000 17.33966 
1 1 1  -49   27    3 o  213.266   18.502 19550.43  3172.06   0.0000   0.0000 19550.43  3172.06  ?   ?   213.266   18.502 0.000000 18.50154 
1 1 1  -49   27    4 o  141.982   17.121  8673.90  1933.96   0.0000   0.0000  8673.90  1933.96  ?   ?   141.982   17.121 0.000000 17.12091 
1 1 1  -49   27    5 o  180.626   16.088 13927.12  2334.75 12374.60  6016.37 14202.37  2533.28  145.959   45.684  181.682   17.385 -35.72292 48.87961 
1 1 1  -49   27    6 o  158.301   15.599 10719.17  1978.92  9827.03  5007.65 10884.28  2154.27  132.120   41.726  158.800   16.970 -26.67984 45.04507 
1 1 1  -49   27    7 o  197.143   32.213 19275.23  4978.37 16773.44  6531.32 22744.22  7690.89  165.836   46.582  191.077   49.258 -25.24194 67.79564 
1 1 1  -49   27    8 o  125.481   16.463  6869.93  1636.92  5236.99  4564.38  7110.94  1753.57   99.737   38.953  127.174   17.441 -27.43741 42.67901 
1 1 1  -49   27    9 o   61.489   19.473  1687.62  1090.08 -544.9531  3619.20  1910.37  1143.17   65.939   30.159   64.909   19.848 1.029816 36.10432 
1 1 1  -49   27   10 o   44.896   17.416  646.836  907.739 -2293.0120  3673.50  838.019  936.790   59.396   28.196   47.831   17.896 11.56557 33.39576 
1 1 1  -49   27   11 o   88.183   20.229  3679.48  1417.62  3764.12  4088.65  3667.91  1511.38   84.958   35.494   87.311   21.469 -2.353416 41.48185 
1 1 1  -49   27   12 o  111.706   19.217  5853.08  1680.18  1759.28  4429.61  6541.05  1815.88   74.425   33.778  117.841   19.672 -43.41548 39.08892 
1 1 1  -49   27   13 o   72.208   9.7919  2239.42  559.292   99.459  3998.18  2282.13  564.846   64.562   30.266   72.905   9.7892 -8.342804 31.81004 
1 1 1  -49   27   14 o   57.973   21.193  1632.75  1300.23  4452.88  4061.84  1310.78  1372.44   78.166   34.067   54.584   21.348 23.58170 40.20321 
1 1 1  -49   27   15 o   31.924   15.203 -963.3871  1085.16 -5404.4248  4612.85 -703.2148  1116.50   50.746   25.480   33.951   15.941 16.79510 30.05548 
1 1 1  -49   27   16 o   78.293   23.840  3842.58  1651.68  5655.79  4954.97  3615.92  1751.87   68.307   32.518   74.195   24.775 -5.887802 40.88079 
1 1 1  -49   27   17 o   51.404   21.570  1582.10  1519.90  6813.35  5053.17  1061.76  1593.69   62.964   30.671   47.528   21.004 15.43534 37.17378 
1 1 1  -49   29    1 f  149.925   19.610  9893.02  2329.98   0.0000   0.0000  9893.02  2329.98  ?   ?   149.925   19.610 0.000000 19.60997 
1 1 1  -49   29    2 o  174.097   19.093 13269.87  2654.73   0.0000   0.0000 13269.87  2654.73  ?   ?   174.097   19.093 0.000000 19.09306 
1 1 1  -49   29    3 o  293.754   22.696 38719.05  5371.54   0.0000   0.0000 38719.05  5371.54  ?   ?   293.754   22.696 0.000000 22.69648 
1 1 1  -49   29    4 o   92.610   19.893  3883.64  1451.24   0.0000   0.0000  3883.64  1451.24  ?   ?    92.610   19.893 0.000000 19.89278 
1 1 1  -49   29    5 o   91.125   19.579  3768.10  1405.51   0.0000   0.0000  3768.10  1405.51  ?   ?    91.125   19.579 0.000000 19.57922 
1 1 1  -49   29    6 o   65.740   29.502 -40.4540  3270.65  5459.71  4245.47 -8070.6528  5129.81  100.078   37.956   58.717   29.052 41.36105 47.79812 
1 1 1  -49   29    7 f  190.281   18.090 16039.96  2761.36 10704.05  7274.79 16938.17  2984.74  119.390   48.329  194.629   19.134 -75.23881 51.97908 
1 1 1  -49   29    8 o  289.612   24.846 40150.13  5786.20 28455.20 10811.92 44843.95  6849.63  162.952   60.833  299.095   28.551 -136.1430 67.19959 
1 1 1  -49   29    9 f   42.113   17.009  456.703  898.812  2468.58  4308.21  365.150  919.035   79.392   34.830   41.336   17.008 38.05616 38.76059 
1 1 1  -49   29   10 o   29.973   13.942 -613.3604  821.696 -1128.6970  4413.28 -594.8544  836.320   65.438   31.017   30.436   14.126 35.00209 34.08254 
1 1 1  -49   29   11 o   89.550   21.834  4014.01  1573.30  9755.85  5599.51  3521.86  1639.34  104.835   42.414   82.611   23.384 22.22417 48.43277 
1 1 1  -49   29   12 o   68.578   21.368  2406.62  1317.98  263.103  5034.37  2564.34  1365.61   67.198   32.203   70.504   21.716 -3.306320 38.84062 
1 1 1  -49   29   13 o   38.490   17.272 -101.1464  1120.83 -1642.2190  3647.27   59.565  1177.82   54.263   26.347   40.563   17.985 13.69968 31.90011 
1 1 1  -49   29   14 o   47.050   19.992  759.135  1332.36  6939.88  4650.13  206.346  1390.67   77.965   35.068   43.228   19.330 34.73718 40.04254 
1 1 1  -49   29   15 f   24.966   12.524 -2595.2339  1102.37  2556.19  5107.20 -2846.9661  1128.99   59.466   29.341   24.688   12.424 34.77804 31.86311 
1 1 1  -49   29   16 o   50.519   21.552  1565.69  1559.69 -6536.7178  5919.39  2170.18  1616.82   46.197   23.705   55.493   22.664 -9.295441 32.79590 
1 1 1  -49   31    1 o  202.917   22.504 18865.51  3645.42   0.0000   0.0000 18865.51  3645.42  ?   ?   202.917   22.504 0.000000 22.50436 
1 1 1  -49   31    2 o  134.500   22.368  8377.02  2356.96   0.0000   0.0000  8377.02  2356.96  ?   ?   134.500   22.368 0.000000 22.36766 
1 1 1  -49   31    3 o   58.535   21.331  1391.41  1315.80   0.0000   0.0000  1391.41  1315.80  ?   ?    58.535   21.331 0.000000 21.33109 
1 1 1  -49   31    4 o   80.671   35.292  2117.50  4395.86   0.0000   0.0000  2117.50  4395.86  ?   ?    80.671   35.292 0.000000 35.29158 
1 1 1  -49   31    5 o  133.193   20.665  8194.12  2162.44   0.0000   0.0000  8194.12  2162.44  ?   ?   133.193   20.665 0.000000 20.66469 
1 1 1  -49   31    6 o  176.519   20.448 14386.72  2876.51   0.0000   0.0000 14386.72  2876.51  ?   ?   176.519   20.448 0.000000 20.44812 
1 1 1  -49   31    7 o   69.478   21.078  2312.56  1292.83 -1400.6021  6221.82  2480.12  1321.67   73.744   35.460   71.757   21.208 1.986603 41.31864 
1 1 1  -49   31    8 f  171.727   19.471 13756.55  2666.97 14701.73  8087.82 13641.23  2824.98  115.048   49.078  169.278   21.004 -54.23075 53.38385 
1 1 1  -49   31    9 o   61.546   21.873  1800.84  1373.36 -11499.2500  5847.51  2577.31  1412.88   53.859   27.245   71.473   22.100 -17.61442 35.08165 
1 1 1  -49   31   10 o   85.475   23.253  3870.52  1656.73  6003.42  6573.29  3725.83  1712.00   83.149   38.925   83.127   24.016 0.2120972E-01 45.73711 
1 1 1  -49   31   11 o   57.556   21.317  1631.40  1322.48  6150.62  6513.32  1437.08  1350.61   78.611   37.383   55.416   21.315 23.19436 43.03249 
1 1 1  -49   31   12 o   53.810   21.769  1360.21  1474.98  3720.77  6458.69  1230.32  1515.02   68.679   33.711   52.780   21.790 15.89890 40.14030 
1 1 1  -49   31   13 o   31.720   15.183 -971.0969  1111.81  3039.67  6655.35 -1086.2410  1127.66   62.572   31.300   31.387   15.094 31.18459 34.74896 
1 1 1  -49   31   14 o   50.562   21.439  1401.22  1526.99  1884.66  6711.99  1374.83  1568.11   56.197   28.511   50.421   21.562 5.776287 35.74638 
1 1 1  -49   33    1 f   86.466   37.525  3839.72  4885.58   0.0000   0.0000  3839.72  4885.58  ?   ?    86.466   37.525 0.000000 37.52472 
1 1 1  -49   33    2 f  116.456   43.646 10322.26  5576.52   0.0000   0.0000 10322.26  5576.52  ?   ?   116.456   43.646 0.000000 43.64639 
1 1 1  -49   33    3 f   60.002   22.549  1529.90  1490.36   0.0000   0.0000  1529.90  1490.36  ?   ?    60.002   22.549 0.000000 22.54893 
1 1 1  -49   33    4 o   79.962   23.664  3229.83  1644.53   0.0000   0.0000  3229.83  1644.53  ?   ?    79.962   23.664 0.000000 23.66377 
1 1 1  -49   33    5 o  118.198   24.190  7074.78  2243.38   0.0000   0.0000  7074.78  2243.38  ?   ?   118.198   24.190 0.000000 24.19005 
1 1 1  -49   33    6 o  113.271   23.623  6542.12  2102.30   0.0000   0.0000  6542.12  2102.30  ?   ?   113.271   23.623 0.000000 23.62293 
1 1 1  -49   33    7 f   86.767   23.546  3975.80  1701.16  844.190  9177.08  4087.24  1731.16   76.409   37.986   87.860   23.715 -11.45065 44.78124 
1 1 1  -49   33    8 o   53.789   21.272  1223.58  1376.21  4734.66  8502.32  1129.12  1394.60   77.730   38.257   52.944   21.255 24.78550 43.76525 
1 1 1  -49   33    9 o   55.488   22.190  1415.75  1513.54 -7031.5928  8603.24  1685.55  1537.52   62.214   31.635   58.231   22.645 3.983089 38.90492 
1 1 1  -49   33   10 o   41.180   18.891 -211.6434  1434.63 -4519.4858  6959.85 -20.4825  1466.12   58.370   29.549   42.728   19.408 15.64223 35.35307 
1 1 1  -49   33   11 f   94.710   25.118  5632.91  1963.20 -102.6275  9256.68  5903.04  2008.90   60.867   31.112   96.901   25.270 -36.03440 40.08194 
1 1 1  -49   33   12 o   72.515   24.920  3731.86  1773.32  6657.91  8232.48  3589.49  1815.95   60.944   30.985   70.412   25.138 -9.467510 39.89983 
1 1 1  -49   35    1 o   87.078   29.231  4534.05  2438.69   0.0000   0.0000  4534.05  2438.69  ?   ?    87.078   29.231 0.000000 29.23055 
1 1 1  -49   35    2 o   49.645   22.513 -74.8103  1962.71   0.0000   0.0000 -74.8103  1962.71  ?   ?    49.645   22.513 0.000000 22.51343 
1 1 1  -49   35    3 o  120.763   28.722  8465.77  2775.23   0.0000   0.0000  8465.77  2775.23  ?   ?   120.763   28.722 0.000000 28.72159 
1 1 1  -49   35    4 o   54.179   22.442  1106.56  1614.56   0.0000   0.0000  1106.56  1614.56  ?   ?    54.179   22.442 0.000000 22.44164 
1 1 1  -49   35    5 o   53.435   22.663  1004.87  1706.97   0.0000   0.0000  1004.87  1706.97  ?   ?    53.435   22.663 0.000000 22.66277 
1 1 1  -49   35    6 o   51.200   22.054  836.661  1662.28   0.0000   0.0000  836.661  1662.28  ?   ?    51.200   22.054 0.000000 22.05373 
1 1 1  -49   35    7 o   74.402   26.052  3514.42  1942.54   0.0000   0.0000  3514.42  1942.54  ?   ?    74.402   26.052 0.000000 26.05238 
1 1 1  -49   35    8 o   53.546   21.815  1435.17  1493.27 11728.79 12386.99  1283.38  1504.24   68.982   35.317   52.206   21.646 16.77581 41.42264 
1 1 1  -49   35    9 o   68.345   24.539  3138.27  1732.77  1980.29 12499.56  3160.96  1749.67   60.710   31.297   68.428   24.649 -7.717926 39.83800 
1 1 1  -49   37    1 o   67.373   29.172  3089.91  2939.25   0.0000   0.0000  3089.91  2939.25  ?   ?    67.373   29.172 0.000000 29.17209 
1 1 1  -49   37    2 f   61.075   26.905  2049.11  2594.56   0.0000   0.0000  2049.11  2594.56  ?   ?    61.075   26.905 0.000000 26.90495 
1 1 1  -49   37    3 o   45.618   21.424 -376.7055  2018.76   0.0000   0.0000 -376.7055  2018.76  ?   ?    45.618   21.424 0.000000 21.42419 
1 1 1  -49   37    4 o   59.686   25.633  2122.30  2233.18   0.0000   0.0000  2122.30  2233.18  ?   ?    59.686   25.633 0.000000 25.63338 
1 1 1  -49   37    5 o   57.256   24.730  1919.06  2101.62   0.0000   0.0000  1919.06  2101.62  ?   ?    57.256   24.730 0.000000 24.72956 
1 1 1  -48    0    1 o  422.920   32.053 74471.32 10861.36   0.0000   0.0000 74471.32 10861.36  422.920   32.053  422.920   32.053 -0.000000 0.000000 
1 1 1  -48    0    2 o  770.712   55.767 251072.20 34478.46 251072.20 34478.46   0.0000   0.0000  770.712   55.767  770.712   55.767 0.000000 0.000000 
1 1 1  -48    0    4 o  473.480   33.421 93266.03 12701.52   0.0000   0.0000 93266.03 12701.52  473.480   33.421  473.480   33.421 -0.000000 0.000000 
1 1 1  -48    0    5 o   95.104   10.921  3819.01  814.496   0.0000   0.0000  3819.01  814.496   95.104   10.921   95.104   10.921 -0.000000 0.000000 
1 1 1  -48    0   12 o  314.207   22.796 41048.13  5745.52   0.0000   0.0000 41048.13  5745.52  314.207   22.796  314.207   22.796 0.000000 0.000000 
1 1 1  -48    0   13 o  379.131   27.204 60043.45  8275.45   0.0000   0.0000 60043.45  8275.45  379.131   27.204  379.131   27.204 0.000000 0.000000 
1 1 1  -48    0   14 o   75.796   9.6596  2447.92  568.144  2497.95  644.721  2274.07  1201.92   76.012   11.148   63.899   24.509 -0.000000 0.000000 
1 1 1  -48    0   15 o  164.619   10.560 11169.60  1398.20 11615.40  1821.46 10530.08  2181.62  167.096   13.634  157.559   17.617 -0.000000 0.000000 
1 1 1  -48    0   16 o  304.363   16.593 38318.85  4072.83 41392.67  5584.05 34824.96  5953.39  314.254   22.136  285.956   26.143 -0.000000 0.000000 
1 1 1  -48    0   17 o   16.226   10.321   30.107  297.922  296.737  1036.15   6.0771  311.057   31.961   19.861   16.145   10.377 0.000000 0.000000 
1 1 1  -48    0   18 o  121.669   9.7325  6160.24  947.331  6386.63  1139.72  5654.24  1703.89  123.298   11.622  111.323   21.043 -0.000000 0.000000 
1 1 1  -48    0   19 o   76.778   9.8752  2526.45  587.669  2528.47  648.928  2517.22  1385.57   76.245   11.188   65.451   26.589 -0.000000 0.000000 
1 1 1  -48    0   20 o   22.589   12.147  299.757  307.784 -1161.9640  1096.54  424.766  320.675   22.275   15.658   26.485   12.805 0.000000 0.000000 
1 1 1  -48    0   21 o   54.456   14.023  1440.02  535.906  1499.00  558.562  756.929  1900.94   55.521   14.336   43.349   26.922 -0.000000 0.000000 
1 1 1  -48    0   22 o   84.407   11.037  3085.49  720.632  1880.32  2159.33  3236.54  764.460   53.623   30.884   86.333   11.471 0.000000 0.000000 
1 1 1  -48    0   23 o   8.7044   6.4007 -886.4004  312.530 -1422.1360  1671.88 -867.0018  318.138   27.979   19.597   8.9214   6.5506 0.000000 0.000000 
1 1 1  -48    0   24 o   55.832   17.003  1645.08  673.145   0.0000   0.0000  1645.08  673.145   55.832   17.003   55.832   17.003 0.000000 0.000000 
1 1 1  -48    0   25 o   60.130   14.793  1794.73  625.374   0.0000   0.0000  1794.73  625.374   60.130   14.793   60.130   14.793 0.000000 0.000000 
1 1 1  -48    2    1 o  696.080   34.574 200548.09 19540.93 192827.59 27625.78 208279.09 27644.32  673.408   50.900  701.221   48.858 -27.81305 70.55415 
1 1 1  -48    2    2 o  343.103   19.508 48249.34  5412.32 48249.34  5412.32   0.0000   0.0000  343.103   19.508  ?   ?  0.000000 19.50824 
1 1 1  -48    2    3 o  403.087   28.456 67225.66  9253.79 67225.66  9253.79   0.0000   0.0000  403.087   28.456  ?   ?  0.000000 28.45646 
1 1 1  -48    2    4 o  279.216   20.485 32070.97  4611.82 32070.97  4611.82   0.0000   0.0000  279.216   20.485  ?   ?  0.000000 20.48492 
1 1 1  -48    2    5 o   78.816   10.857  2575.47  676.380  2575.47  676.380   0.0000   0.0000   78.816   10.857  ?   ?  0.000000 10.85725 
1 1 1  -48    2    6 o  260.272   19.665 27894.86  4125.19 27894.86  4125.19   0.0000   0.0000  260.272   19.665  ?   ?  0.000000 19.66508 
1 1 1  -48    2    7 o  172.985   14.138 12288.12  1968.48   0.0000   0.0000 12288.12  1968.48  ?   ?   172.985   14.138 0.000000 14.13833 
1 1 1  -48    2    8 o   15.125   7.3453 -494.1339  283.846 -745.7328  479.215 -358.1588  352.294   20.279   9.7739   19.253   9.0123 1.026302 13.29478 
1 1 1  -48    2    9 o  119.262   8.9948  5821.20  864.621  7267.41  1278.61  4602.71  1173.64  132.977   11.970  105.245   14.087 27.73110 18.48619 
1 1 1  -48    2   10 o   46.169   11.054  903.838  408.874  668.627  714.262  1018.48  498.660   43.949   15.757   49.023   12.492 -5.074066 20.10803 
1 1 1  -48    2   11 o  212.390   12.106 18476.75  2079.13 21460.95  2993.43 15695.26  2889.97  228.188   16.263  194.484   18.525 33.70378 24.65033 
1 1 1  -48    2   12 o  441.002   32.396 83057.02 11519.17   0.0000   0.0000 83057.02 11519.17  ?   ?   441.002   32.396 0.000000 32.39610 
1 1 1  -48    2   13 o  346.146   25.922 50610.86  7232.59   0.0000   0.0000 50610.86  7232.59  ?   ?   346.146   25.922 0.000000 25.92153 
1 1 1  -48    2   14 o  193.047   16.814 15509.79  2609.29   0.0000   0.0000 15509.79  2609.29  ?   ?   193.047   16.814 0.000000 16.81434 
1 1 1  -48    2   15 o  196.602   11.861 15928.48  1884.58 18246.71  2532.42 13051.18  2821.31  209.580   14.980  175.361   20.183 34.21944 25.13448 
1 1 1  -48    2   16 o  223.111   11.935 20598.42  2154.26 18429.20  2896.64 23283.18  3222.52  208.855   17.235  235.020   17.002 -26.16551 24.20953 
1 1 1  -48    2   17 o   78.354   6.8626  2530.52  432.203  2681.79  613.573  2381.54  608.907   80.119   9.6243   75.294   10.224 4.825333 14.04147 
1 1 1  -48    2   18 o   51.782   7.6701  1125.44  312.740  840.909  417.344  1489.84  472.299   44.074   11.530   59.124   10.207 -15.05013 15.39879 
1 1 1  -48    2   19 o  154.001   8.1766  9833.54  1018.78  9436.38  1582.01 10114.95  1331.66  148.359   13.273  155.089   10.639 -6.729874 17.01066 
1 1 1  -48    2   20 o   74.035   7.6077  2292.96  450.823  2175.18  652.700  2400.42  623.426   70.672   11.790   74.790   10.560 -4.117363 15.82743 
1 1 1  -48    2   21 o   32.376   9.9547  447.451  287.117  708.966  407.549  189.763  404.557   40.085   11.757   28.429   11.436 11.65614 16.40144 
1 1 1  -48    2   22 o   91.207   7.8581  3523.04  576.263  2674.55  848.801  4248.51  784.867   75.845   14.308   99.072   9.8889 -23.22715 17.39241 
1 1 1  -48    2   23 f   18.415   8.1697 -61.4724  243.401   23.662  347.073 -143.8658  341.440   23.443   10.088   20.765   9.4058 2.678160 13.79237 
1 1 1  -48    2   24 o   53.103   9.1596  1277.33  380.676  1474.03  527.177  1063.01  550.281   55.139   12.107   45.709   13.726 9.429913 18.30193 
1 1 1  -48    2   25 f   50.874   9.7031  1231.76  386.190  583.434  570.574  1779.87  524.624   34.741   13.710   60.041   11.172 -25.30008 17.68584 
1 1 1  -48    4    1 o  497.816   28.086 102294.90 11306.20 102294.90 11306.20   0.0000   0.0000  497.816   28.086  ?   ?  0.000000 28.08580 
1 1 1  -48    4    2 o  284.734   20.859 33342.49  4788.90 33342.49  4788.90   0.0000   0.0000  284.734   20.859  ?   ?  0.000000 20.85884 
1 1 1  -48    4    3 o  305.195   22.356 38365.76  5501.57 38365.76  5501.57   0.0000   0.0000  305.195   22.356  ?   ?  0.000000 22.35649 
1 1 1  -48    4    4 f  584.746   41.559 144237.91 19603.33 144237.91 19603.33   0.0000   0.0000  584.746   41.559  ?   ?  0.000000 41.55864 
1 1 1  -48    4    5 o  196.928   16.049 15934.70  2543.89 15934.70  2543.89   0.0000   0.0000  196.928   16.049  ?   ?  0.000000 16.04893 
1 1 1  -48    4    6 o  126.872   8.6207  6576.23  882.801  5241.35  1337.35  7607.10  1175.24  112.348   15.037  136.287   10.706 -23.93906 18.45945 
1 1 1  -48    4    7 o  256.513   13.863 26919.13  2876.73 24031.28  4154.31 29579.66  3987.45  240.988   21.455  268.168   18.424 -27.18021 28.28038 
1 1 1  -48    4    8 o  219.958   9.5923 19691.92  1713.17 20989.46  3103.56 19123.29  2054.55  225.845   17.050  216.307   11.742 9.538498 20.70200 
1 1 1  -48    4    9 o  238.653   10.089 23195.37  1955.10 28035.39  3519.26 21034.78  2351.33  261.149   16.684  226.692   12.827 34.45764 21.04480 
1 1 1  -48    4   10 o  351.247   13.504 50406.06  3851.27 66363.80  6786.58 42825.99  4677.37  400.740   20.930  322.504   17.933 78.23590 27.56141 
1 1 1  -48    4   11 o  243.457   13.363 24305.89  2631.58 24698.43  3783.97 23938.19  3662.23  244.128   19.245  240.402   18.914 3.725494 26.98407 
1 1 1  -48    4   12 o   74.800   7.4584  2299.81  446.948  309.789  1019.45  2773.34  497.288   44.180   18.015   82.201   7.5345 -38.02079 19.52675 
1 1 1  -48    4   13 o  465.002   19.018 89498.29  7180.54 89319.42 12554.74 89585.26  8753.59  453.789   34.327  462.429   23.389 -8.639648 41.53819 
1 1 1  -48    4   14 o  116.028   7.9548  5513.69  744.902  6162.31  1568.82  5324.90  846.398  121.105   16.374  113.839   9.2365 7.265900 18.79942 
1 1 1  -48    4   15 o   99.772   8.2796  4092.58  664.680  2796.01  1460.04  4431.55  746.525   80.038   21.852  103.744   8.9498 -23.70660 23.61415 
1 1 1  -48    4   16 o  252.331   14.520 26597.11  2962.36 26130.95  4234.00 27044.14  4146.20  246.119   21.400  250.994   20.524 -4.875320 29.65125 
1 1 1  -48    4   17 o  158.340   12.434 10507.17  1585.80  8520.97  2200.68 12652.49  2287.13  139.022   20.077  171.838   16.599 -32.81592 26.05029 
1 1 1  -48    4   18 o  130.923   8.6056  7103.41  909.723  7490.30  1049.61  5935.20  1823.89  134.090   9.7059  114.414   20.380 19.67641 22.57311 
1 1 1  -48    4   19 o   12.432   6.1293 -477.0147  221.441 -507.1341  224.447  624.789  1357.51   12.317   6.0912   50.280   20.677 -37.96218 21.55591 
1 1 1  -48    4   20 o   70.680   9.1473  2120.74  512.645  2098.39  547.447  2279.91  1461.11   70.046   9.9014   68.436   22.616 1.609879 24.68859 
1 1 1  -48    4   21 o   62.503   9.8039  1690.62  481.184  1714.22  504.724  1455.17  1594.18   62.771   10.257   57.950   22.902 4.820137 25.09378 
1 1 1  -48    4   22 o   22.450   9.7622 -21.6908  331.974 -101.5268  339.745  1664.04  1561.16   21.488   9.5854   57.727   22.711 -36.23892 24.65087 
1 1 1  -48    4   23 o   38.750   11.710  693.620  399.628  779.972  410.647 -850.9772  1736.77   40.915   11.745   39.987   19.096 0.9280281 22.41841 
1 1 1  -48    4   24 o   39.600   12.198  766.359  430.898  766.359  430.898   0.0000   0.0000   39.600   12.198  ?   ?  0.000000 12.19837 
1 1 1  -48    4   25 f   31.474   10.399  477.829  308.912  708.858  398.854  131.505  488.340   37.128   11.781   27.011   11.791 10.11759 16.66821 
1 1 1  -48    6    1 o  118.548   16.588  5844.60  1552.94   0.0000   0.0000  5844.60  1552.94  ?   ?   118.548   16.588 0.000000 16.58751 
1 1 1  -48    6    2 o  445.092   26.268 81762.66  9451.33 105806.90 13073.14 55434.73 13679.90  504.602   32.074  358.877   48.161 145.7249 57.86419 
1 1 1  -48    6    3 o  216.746   17.273 19305.85  3014.63 19305.85  3014.63   0.0000   0.0000  216.746   17.273  ?   ?  0.000000 17.27294 
1 1 1  -48    6    4 o  534.194   38.111 119940.20 16422.24 119940.20 16422.24   0.0000   0.0000  534.194   38.111  ?   ?  0.000000 38.11129 
1 1 1  -48    6    5 o  337.285   24.734 47057.43  6726.64 47057.43  6726.64   0.0000   0.0000  337.285   24.734  ?   ?  0.000000 24.73446 
1 1 1  -48    6    6 f  629.691   45.375 169678.00 23044.18 169678.00 23044.18   0.0000   0.0000  629.691   45.375  ?   ?  0.000000 45.37491 
1 1 1  -48    6    7 o  494.547   20.000 100333.60  8031.06 91942.67 14036.31 104417.60  9792.30  466.095   37.404  503.378   23.958 -37.28305 44.41871 
1 1 1  -48    6    8 o  171.426   9.6825 12000.77  1342.22   0.0000   0.0000 12000.77  1342.22  ?   ?   171.426   9.6825 0.000000 9.682519 
1 1 1  -48    6    9 o  206.883   9.2779 17424.57  1558.52 17837.00  2844.88 17247.72  1862.95  207.968   16.996  205.398   11.213 2.570236 20.36129 
1 1 1  -48    6   10 o   53.239   7.0765  1173.02  298.324  356.782  812.241  1300.30  320.741   40.970   16.298   56.081   7.2107 -15.11181 17.82148 
1 1 1  -48    6   11 o  594.857   23.449 146955.00 11326.11 163725.50 19732.15 138714.70 13831.54  614.052   39.790  573.305   29.816 40.74670 49.72156 
1 1 1  -48    6   12 o  206.147   9.2372 17323.87  1546.16 25226.85  2848.25 14022.02  1841.03  247.672   14.223  184.764   12.343 62.90785 18.83180 
1 1 1  -48    6   13 o  307.709   13.217 38820.04  3302.37 37055.89  5863.51 39639.59  3996.49  296.176   24.605  309.862   15.938 -13.68616 29.31601 
1 1 1  -48    6   14 o  241.094   10.995 23797.55  2152.35 22826.67  3902.12 24222.11  2580.39  232.758   20.869  242.454   13.157 -9.695694 24.66980 
1 1 1  -48    6   15 o  357.229   15.193 52927.49  4406.95 52431.32  7770.54 53162.75  5350.67  346.120   27.886  355.723   18.590 -9.602570 33.51413 
1 1 1  -48    6   16 f   60.950   9.3931  1560.23  449.922 -877.2976  1225.27  1940.12  483.714   37.451   17.282   68.200   8.9512 -30.74877 19.46236 
1 1 1  -48    6   17 o  149.671   9.1424  9266.57  1105.73  5643.95  2160.57 10552.08  1287.05  110.090   24.770  159.471   9.9902 -49.38102 26.70829 
1 1 1  -48    6   18 o   65.732   10.324  1838.03  532.860  1131.57  1178.66  2019.51  597.396   54.461   20.134   68.749   11.078 -14.28794 22.98032 
1 1 1  -48    6   19 o   71.457   10.647  2184.73  598.870 -1004.9480  1474.98  2814.34  655.315   39.952   18.615   81.454   10.127 -41.50138 21.19171 
1 1 1  -48    6   20 o   23.850   10.487 -77.0548  392.563 -2342.9460  1361.81  128.297  409.966   31.585   15.499   27.604   11.359 3.980852 19.21544 
1 1 1  -48    6   21 o   55.608   13.989  1423.59  631.063  155.896  1654.09  1639.55  682.701   47.690   21.221   59.598   14.292 -11.90775 25.58505 
1 1 1  -48    6   22 o   40.498   9.7394  731.942  316.337  1053.40  388.500   99.511  544.928   48.578   10.175   29.895   12.746 18.68252 16.30931 
1 1 1  -48    6   23 o   60.127   14.083  1770.61  675.489  1731.83  2008.04  1775.56  717.292   54.954   23.952   59.637   14.865 -4.683449 28.18972 
1 1 1  -48    6   24 o   54.462   9.6021  1365.43  409.100  1029.15  488.494  2155.20  748.610   45.187   12.756   64.100   14.697 -18.91323 19.46047 
1 1 1  -48    8    1 o  122.440   17.071  6237.67  1651.01   0.0000   0.0000  6237.67  1651.01  ?   ?   122.440   17.071 0.000000 17.07125 
1 1 1  -48    8    2 o  348.183   27.740 50291.80  7777.41   0.0000   0.0000 50291.80  7777.41  ?   ?   348.183   27.740 0.000000 27.74002 
1 1 1  -48    8    3 o  527.474   29.082 115312.10 12407.31 132923.20 17191.07 96164.88 17925.11  562.553   37.856  473.595   47.244 88.95740 60.54026 
1 1 1  -48    8    4 o  216.715   17.373 19316.27  3031.42 19316.27  3031.42   0.0000   0.0000  216.715   17.373  ?   ?  0.000000 17.37342 
1 1 1  -48    8    5 o  453.083   23.219 84619.83  8513.21 75731.48 12134.74 93234.52 11946.46  424.233   35.556  472.795   31.296 -48.56253 47.36743 
1 1 1  -48    8    6 o  312.075   16.206 39909.10  4092.28 37656.86  5873.73 42033.58  5704.70  301.383   24.207  319.035   22.159 -17.65222 32.81777 
1 1 1  -48    8    7 o  285.963   15.346 33510.73  3550.25 28797.18  5101.63 37936.99  4943.71  263.154   24.145  303.325   20.188 -40.17068 31.47297 
1 1 1  -48    8    8 o  334.236   16.658 45739.91  4520.75   0.0000   0.0000 45739.91  4520.75  ?   ?   334.236   16.658 0.000000 16.65786 
1 1 1  -48    8    9 o  363.329   14.689 53989.67  4333.49 57799.27  7642.46 52184.37  5261.01  372.402   25.426  356.040   18.260 16.36163 31.30377 
1 1 1  -48    8   10 o  145.158   7.5402  8596.33  885.655 11519.13  1712.81  7529.68  1034.72  167.450   12.692  135.625   9.4552 31.82472 15.82672 
1 1 1  -48    8   11 f  283.265   12.267 32793.29  2821.52 29276.29  5026.61 34411.16  3409.27  264.291   23.674  289.789   14.489 -25.49744 27.75637 
1 1 1  -48    8   12 o  333.737   13.963 45670.96  3783.83 44884.82  6691.53 46040.49  4587.74  326.230   25.463  333.884   16.978 -7.654205 30.60485 
1 1 1  -48    8   13 o  211.732   9.8232 18307.37  1688.80 21794.18  3100.15 16836.05  2013.82  229.156   16.778  202.344   12.316 26.81177 20.81307 
1 1 1  -48    8   14 o   74.688   8.7692  2308.84  521.680  1959.39  1264.46  2380.53  572.692   68.138   20.881   75.726   9.5248 -7.587563 22.95060 
1 1 1  -48    8   15 o  155.456   8.9166  9925.88  1120.79  8979.90  2194.41 10259.74  1303.66  144.828   19.129  157.772   10.232 -12.94447 21.69327 
1 1 1  -48    8   16 o  207.896   10.343 17827.68  1745.97 16479.74  3235.79 18381.33  2073.77  194.378   20.826  210.122   12.208 -15.74327 24.14025 
1 1 1  -48    8   17 o  103.109   9.2794  4423.65  768.559  1015.67  1641.43  5380.60  869.796   58.189   23.162  113.729   9.5062 -55.54055 25.03653 
1 1 1  -48    8   18 o   87.092   9.5570  3185.12  664.723  2397.94  1398.64  3414.80  755.501   71.809   21.953   89.897   10.551 -18.08879 24.35712 
1 1 1  -48    8   19 o   41.391   13.539  719.881  524.098  1667.62  1444.71  576.254  562.411   61.664   22.370   38.927   13.980 22.73765 26.37874 
1 1 1  -48    8   20 f  102.935   9.9634  4509.27  822.320  2983.88  1925.37  4849.60  909.440   75.208   25.959  106.431   10.667 -31.22264 28.06560 
1 1 1  -48    8   21 o   86.424   11.465  3281.50  784.698  1791.87  1684.17  3694.55  886.842   60.698   23.674   91.289   12.275 -30.59167 26.66690 
1 1 1  -48    8   22 o   18.679   8.9594 -507.2750  391.657 -2282.4351  1725.60 -410.8619  402.152   35.503   17.426   19.902   9.4127 15.60095 19.80567 
1 1 1  -48    8   23 o   42.848   14.718  895.898  618.510  654.819  1701.62  932.599  663.921   46.304   20.984   43.560   15.232 2.744358 25.92948 
1 1 1  -48    8   24 o   81.785   16.037  3661.82  1026.94   0.0000   0.0000  3661.82  1026.94  ?   ?    81.785   16.037 0.000000 16.03743 
1 1 1  -48   10    1 o  551.611   41.009 128597.90 18236.38   0.0000   0.0000 128597.90 18236.38  ?   ?   551.611   41.009 0.000000 41.00943 
1 1 1  -48   10    2 f  138.777   20.258  8050.70  2215.43   0.0000   0.0000  8050.70  2215.43  ?   ?   138.777   20.258 0.000000 20.25788 
1 1 1  -48   10    3 o  294.928   16.133 35627.86  3848.67 28492.53  5176.68 44445.88  5754.79  261.999   24.623  328.413   21.703 -66.41391 32.82258 
1 1 1  -48   10    4 o  262.604   14.769 28231.53  3136.33 23856.12  4597.88 32038.94  4289.07  239.614   23.953  279.074   19.042 -39.45975 30.59982 
1 1 1  -48   10    5 f   81.454   7.7854  2722.36  508.639  2338.35  822.015  2960.61  647.476   74.490   14.107   84.760   9.5759 -10.26960 17.05020 
1 1 1  -48   10    6 o  684.405   34.845 196991.70 19299.79 181471.41 27394.30 212286.80 27194.85  642.465   52.986  699.721   48.159 -57.25635 71.60188 
1 1 1  -48   10    7 o  251.182   14.053 25845.83  2854.67 20842.48  4113.07 30495.88  3965.20  223.690   22.972  272.161   18.046 -48.47105 29.21196 
1 1 1  -48   10    8 f   83.158   7.3589  2834.45  491.753   0.0000   0.0000  2834.45  491.753  ?   ?    83.158   7.3589 0.000000 7.358922 
1 1 1  -48   10    9 o  665.024   26.003 184064.09 14041.27 196041.80 24469.97 178184.30 17144.75  668.612   45.342  649.857   32.492 18.75500 55.78152 
1 1 1  -48   10   10 o  218.174   9.6868 19401.01  1716.01 22924.35  3167.08 17936.77  2041.68  235.687   16.657  209.211   12.070 26.47667 20.57028 
1 1 1  -48   10   11 o  192.009   8.9978 15025.82  1402.81 17785.37  2660.75 13963.47  1650.89  207.458   15.917  184.589   11.066 22.86876 19.38563 
1 1 1  -48   10   12 o   58.506   9.1162  1428.94  418.957  1124.45  1065.42  1484.63  455.667   55.120   19.294   59.549   9.7623 -4.429634 21.62349 
1 1 1  -48   10   13 o  453.339   18.574 85400.54  6837.04 86188.75 12009.84 85022.58  8316.16  442.981   33.641  449.155   22.879 -6.174316 40.68361 
1 1 1  -48   10   14 o  126.297   8.2610  6542.77  842.486  5800.83  1757.38  6764.17  959.991  116.215   19.301  128.256   9.2810 -12.04169 21.41634 
1 1 1  -48   10   15 o  227.083   10.810 21241.91  1993.11 20085.38  3680.23 21721.90  2370.90  215.508   21.311  228.628   12.823 -13.12079 24.87158 
1 1 1  -48   10   16 o  208.574   10.298 17980.19  1744.10 18290.38  3285.46 17858.47  2058.02  204.608   20.033  206.744   12.315 -2.136017 23.51568 
1 1 1  -48   10   17 o   20.558   9.7520 -518.7222  437.874 -4858.8901  1164.82  195.534  472.533  ?   ?    30.676   12.352 0.000000 12.35236 
1 1 1  -48   10   18 o   25.950   11.131  -2.8274  420.150  420.472  1323.72 -50.2494  443.060   48.068   20.148   25.943   11.280 22.12487 23.09018 
1 1 1  -48   10   19 o  192.597   10.562 15677.19  1645.38 14237.87  3148.92 16217.76  1929.78  171.369   23.229  194.568   12.278 -23.19919 26.27432 
1 1 1  -48   10   20 o  109.232   10.116  5096.18  887.052  5770.38  1900.79  4908.47  1002.97  106.751   22.632  106.240   11.828 0.5110092 25.53583 
1 1 1  -48   10   21 o   74.127   12.990  2492.51  753.372  3058.86  1712.77  2356.65  838.881   73.300   24.497   70.811   15.054 2.488373 28.75294 
1 1 1  -48   10   22 o  123.289   13.801  7095.27  1357.88  6120.27  2664.03  7437.49  1578.29   88.472   30.536  123.456   16.130 -34.98442 34.53432 
1 1 1  -48   10   23 o   24.148   11.607 -718.8778  664.926  757.173  2103.97 -882.6601  700.846   47.517   22.171   23.935   11.605 23.58109 25.02459 
1 1 1  -48   10   24 o   25.163   12.062 -578.5771  707.372   0.0000   0.0000 -578.5771  707.372  ?   ?    25.163   12.062 0.000000 12.06201 
1 1 1  -48   12    1 o  599.875   44.780 153705.00 21654.19   0.0000   0.0000 153705.00 21654.19  ?   ?   599.875   44.780 0.000000 44.78004 
1 1 1  -48   12    2 o  650.173   48.715 182298.70 25530.57   0.0000   0.0000 182298.70 25530.57  ?   ?   650.173   48.715 0.000000 48.71486 
1 1 1  -48   12    3 o   96.332   9.3585  3811.24  722.770   0.0000   0.0000  3811.24  722.770  ?   ?    96.332   9.3585 0.000000 9.358474 
1 1 1  -48   12    4 o   85.883   7.8446  3024.29  540.995  5567.11  980.134  1910.16  648.776  116.465   10.477   67.417   12.305 49.04761 16.16114 
1 1 1  -48   12    5 o  251.335   14.903 25895.24  3027.83 19622.52  4451.78 31294.62  4130.27  216.368   25.852  275.696   18.559 -59.32770 31.82338 
1 1 1  -48   12    6 o  226.047   13.574 20934.85  2479.91 15963.83  3640.16 25240.22  3387.69  195.348   23.416  247.695   16.946 -52.34767 28.90469 
1 1 1  -48   12    7 o  172.122   10.826 12121.72  1505.28 12376.01  2236.38 11911.09  2035.37  173.126   16.093  170.023   14.894 3.102661 21.92740 
1 1 1  -48   12    8 o  182.101   15.457 13675.78  2263.95   0.0000   0.0000 13675.78  2263.95  ?   ?   182.101   15.457 0.000000 15.45749 
1 1 1  -48   12    9 o  469.157   18.661 90636.80  7108.75 97719.77 12540.10 87282.85  8629.22  479.440   32.403  458.056   23.278 21.38351 39.89761 
1 1 1  -48   12   10 o  290.809   10.959 34524.86  2587.71 51625.11  4748.87 27302.93  3086.14  354.368   16.504  257.608   14.817 96.75916 22.17940 
1 1 1  -48   12   11 o  297.988   12.870 36366.95  3114.03 36161.34  5652.86 36456.52  3731.22  293.129   23.960  297.383   15.506 -4.253540 28.53969 
1 1 1  -48   12   12 o  145.631   8.4848  8678.57  998.955  6305.72  2061.63  9406.61  1141.97  121.131   21.761  151.517   9.3276 -30.38586 23.67601 
1 1 1  -48   12   13 o  225.996   10.372 20915.14  1903.36 22583.96  3585.65 20260.43  2245.90  231.699   19.233  221.654   12.530 10.04521 22.95473 
1 1 1  -48   12   14 o   82.414   8.6201  2809.50  568.300  1970.26  1465.39  2958.07  616.553   68.738   22.646   84.494   9.1321 -15.75634 24.41799 
1 1 1  -48   12   15 o  202.990   10.382 17040.00  1705.51 15195.00  3214.65 17762.76  2012.02  186.049   21.687  206.614   12.045 -20.56468 24.80738 
1 1 1  -48   12   16 o   35.085   12.637  440.370  459.849 -804.7079  1382.91  595.154  487.596   40.382   18.533   38.771   13.070 1.610580 22.67851 
1 1 1  -48   12   17 o   91.271   9.8326  3498.12  717.184  4353.25  1752.02  3325.99  786.059   96.023   22.809   88.545   11.183 7.478706 25.40319 
1 1 1  -48   12   18 o  100.843   10.060  4292.68  812.764  2468.53  1892.73  4705.09  899.964   72.145   25.673  105.376   10.665 -33.23077 27.80058 
1 1 1  -48   12   19 o   54.740   14.177  1355.85  635.151  2016.09  1715.35  1250.94  683.751   65.487   24.273   52.517   15.179 12.97025 28.62830 
1 1 1  -48   12   20 o   56.400   14.845  1478.21  689.081  1906.89  1912.92  1414.29  738.672   63.061   25.034   54.947   15.746 8.113811 29.57479 
1 1 1  -48   12   21 o   59.254   13.985  1650.97  661.997  880.693  2116.45  1734.50  696.969   54.016   24.021   60.545   14.389 -6.529480 28.00138 
1 1 1  -48   12   22 o   88.061   14.545  3750.92  1003.68  6447.50  2225.58  3062.48  1124.52   96.693   27.203   75.565   18.481 21.12805 32.88702 
1 1 1  -48   12   23 o   39.180   15.349  718.992  710.395  264.436  2533.61  757.778  740.082   45.520   22.069   39.890   15.655 5.629314 27.05752 
1 1 1  -48   12   24 o   23.591   11.543 -898.1048  739.326   0.0000   0.0000 -898.1048  739.326  ?   ?    23.591   11.543 0.000000 11.54317 
1 1 1  -48   14    1 o  686.951   51.880 206112.30 28724.51   0.0000   0.0000 206112.30 28724.51  ?   ?   686.951   51.880 0.000000 51.88042 
1 1 1  -48   14    2 o  392.439   31.620 64601.63  9990.09   0.0000   0.0000 64601.63  9990.09  ?   ?   392.439   31.620 0.000000 31.61981 
1 1 1  -48   14    3 o  450.747   22.946 83919.74  8370.31   0.0000   0.0000 83919.74  8370.31  ?   ?   450.747   22.946 0.000000 22.94605 
1 1 1  -48   14    4 o  280.711   15.047 32297.26  3417.22 21634.82  5996.31 37425.66  4158.59  224.785   33.908  301.849   17.037 -77.06387 37.94716 
1 1 1  -48   14    5 o  299.293   16.374 36782.45  3963.99 36617.20  5876.88 36920.40  5369.30  296.518   24.632  298.418   22.321 -1.899841 33.24115 
1 1 1  -48   14    6 o   50.052   10.942  1060.92  432.266  1572.31  767.111  822.989  523.250   60.825   15.490   44.671   13.377 16.15402 20.46731 
1 1 1  -48   14    7 o  237.334   14.475 23130.48  2776.15 17980.77  4111.03 27447.54  3764.03  206.654   25.009  257.832   18.094 -51.17795 30.86832 
1 1 1  -48   14    8 o  306.331   17.076 38669.79  4230.48 34336.40  6156.04 42547.55  5823.41  285.453   26.876  319.641   22.583 -34.18811 35.10459 
1 1 1  -48   14    9 o   99.528   10.990  4092.35  873.292  3074.92  1468.00  4649.62  1086.44   84.531   21.375  105.847   12.909 -21.31571 24.97048 
1 1 1  -48   14   10 o  243.299   10.749 24176.89  2123.47 25548.96  4022.12 23646.67  2500.32  247.471   20.193  239.967   12.879 7.503525 23.95046 
1 1 1  -48   14   11 o  254.385   14.086 26671.70  2898.19 27250.49  4452.85 26246.30  3817.44  254.544   21.753  250.855   18.880 3.688980 28.80407 
1 1 1  -48   14   12 o  333.797   13.929 45908.86  3775.29 48197.41  6872.00 44919.57  4518.19  335.516   25.414  328.598   16.992 6.917450 30.57107 
1 1 1  -48   14   13 o  289.525   12.249 34552.09  2879.51 40394.56  5383.85 32211.18  3407.90  307.477   21.704  278.055   15.152 29.42224 26.46957 
1 1 1  -48   14   14 o  112.490   8.7629  5221.66  794.072  3175.08  1873.97  5669.55  876.667   83.975   25.354  117.127   9.2944 -33.15193 27.00431 
1 1 1  -48   14   15 o  105.060   8.9548  4576.35  756.603  4775.72  1863.40  4536.99  827.922  102.036   23.037  104.369   9.8876 -2.332916 25.06910 
1 1 1  -48   14   16 o   79.077   9.7881  2629.02  615.048  2578.31  1748.98  2636.18  657.013   74.912   24.743   78.984   10.505 -4.072014 26.88111 
1 1 1  -48   14   17 o  107.676   9.5192  4858.04  823.680  3869.26  2102.65  5037.29  895.228   87.797   26.930  109.414   10.194 -21.61677 28.79479 
1 1 1  -48   14   18 o   22.052   10.427 -534.3472  492.971 -1983.6541  1648.78 -392.0664  516.602   37.736   18.173   24.069   11.147 13.66673 21.31905 
1 1 1  -48   14   19 o   79.315   12.366  2769.64  770.399  1859.32  2155.15  2903.01  824.905   64.676   26.262   80.924   12.994 -16.24786 29.30032 
1 1 1  -48   14   20 f   53.337   14.555  1331.08  647.942 -2453.7290  1860.44  1853.52  691.217   37.519   18.348   63.384   13.820 -25.86449 22.97099 
1 1 1  -48   14   21 o   57.842   16.034  1662.74  779.174 -3130.5669  2428.35  2212.87  822.673   40.228   19.919   67.391   15.374 -27.16323 25.16220 
1 1 1  -48   14   22 o   26.739   12.716 -635.0235  753.725 -895.9020  2541.14 -609.8583  789.242   44.416   21.661   27.617   13.098 16.79859 25.31332 
1 1 1  -48   14   23 f   34.381   14.638  406.472  716.914 -1279.2330  2943.47  512.777  739.174   41.313   20.688   35.867   15.046 5.445713 25.58043 
1 1 1  -48   16    1 o  238.707   24.120 23766.27  4610.89   0.0000   0.0000 23766.27  4610.89  ?   ?   238.707   24.120 0.000000 24.12015 
1 1 1  -48   16    2 o  439.381   23.546 79944.79  8369.93   0.0000   0.0000 79944.79  8369.93  ?   ?   439.381   23.546 0.000000 23.54642 
1 1 1  -48   16    3 o  488.204   23.972 98563.21  9502.56 74387.72 16904.42 109731.80 11489.76  408.007   52.225  512.871   27.693 -104.8637 59.11319 
1 1 1  -48   16    4 o  469.370   20.661 90742.45  7874.23 68708.48 13865.17 101232.30  9566.70  396.718   43.772  494.592   23.822 -97.87427 49.83456 
1 1 1  -48   16    5 o  283.148   16.772 32992.43  3838.71 29186.60  5792.74 35972.29  5125.75  263.224   27.510  294.436   21.591 -31.21225 34.97055 
1 1 1  -48   16    6 o  312.973   18.594 40440.53  4703.85 31809.23  6962.47 47688.35  6380.12  272.854   32.036  338.382   23.364 -65.52759 39.65088 
1 1 1  -48   16    7 o   69.032   12.024  2002.21  649.453  1969.87  1331.04  2012.31  744.033   69.097   21.465   68.926   13.776 0.1707840 25.50533 
1 1 1  -48   16    8 o  396.736   21.460 65463.21  6887.20 60899.43 10000.20 69581.04  9499.05  376.531   33.043  405.095   29.073 -28.56409 44.01212 
1 1 1  -48   16    9 o  267.468   15.588 29515.79  3370.69 28145.14  5015.33 30644.90  4552.04  258.272   24.198  270.871   20.857 -12.59949 31.94625 
1 1 1  -48   16   10 o  138.308   7.9707  7822.60  891.333  8986.62  2081.93  7561.36  986.295  146.296   17.900  135.835   8.9933 10.46036 20.03218 
1 1 1  -48   16   11 o   52.213   9.7819  1150.66  399.471  2287.21  1182.71  1004.30  424.413   72.744   19.588   48.559   11.017 24.18502 22.47325 
1 1 1  -48   16   12 o  201.020   9.5506 16556.02  1558.87 20352.94  3186.09 15361.01  1787.42  219.675   18.021  192.917   11.462 26.75775 21.35759 
1 1 1  -48   16   13 o  164.996   9.8117 11230.75  1308.56  7072.98  2796.44 12396.40  1480.67  123.456   28.477  173.156   10.582 -49.69973 30.37996 
1 1 1  -48   16   14 o  142.337   9.2385  8376.89  1061.95  5651.23  2382.87  9052.41  1186.27  109.498   26.977  147.780   9.9441 -38.28162 28.75140 
1 1 1  -48   16   15 o  106.012   9.1049  4673.41  776.131  5414.95  1998.01  4541.63  842.275  107.825   23.486  104.220   10.079 3.605057 25.55755 
1 1 1  -48   16   16 o   32.131   13.012  210.792  527.583  3291.71  1605.35 -162.2515  558.611   83.124   23.005   27.859   12.367 55.26558 26.11827 
1 1 1  -48   16   17 o   77.213   11.145  2558.78  678.474  1025.60  2013.92  2755.07  720.598   59.732   24.929   80.072   11.406 -20.34075 27.41446 
1 1 1  -48   16   18 o  103.468   10.288  4561.68  852.898  2622.14  2431.41  4833.83  910.772   72.426   28.390  106.340   10.693 -33.91401 30.33698 
1 1 1  -48   16   19 o   30.759   13.212   52.248  593.494  521.299  2153.53   13.696  617.403   54.432   24.218   30.824   13.358 23.60833 27.65736 
1 1 1  -48   16   20 o   24.218   11.512 -644.0264  616.378 -466.0468  2332.32 -657.3903  639.100   48.847   22.968   24.696   11.734 24.15086 25.79220 
1 1 1  -48   16   21 o   79.404   17.528  3277.26  1099.82  6329.70  2998.81  2802.88  1182.20   82.173   31.717   70.787   19.795 11.38563 37.38771 
1 1 1  -48   16   22 o   35.679   15.806  248.038  907.980 -286.8640  3006.55  301.719  952.452   45.851   22.602   36.650   16.215 9.201195 27.81711 
1 1 1  -48   16   23 o   44.509   17.543  1276.11  933.043   0.0000   0.0000  1276.11  933.043  ?   ?    44.509   17.543 0.000000 17.54260 
1 1 1  -48   18    1 o  364.527   30.732 56089.55  9011.45   0.0000   0.0000 56089.55  9011.45  ?   ?   364.527   30.732 0.000000 30.73238 
1 1 1  -48   18    2 o  369.175   20.534 56339.96  6131.02   0.0000   0.0000 56339.96  6131.02  ?   ?   369.175   20.534 0.000000 20.53443 
1 1 1  -48   18    3 o  331.613   16.968 45242.21  4553.39 40598.00  8492.75 47115.79  5394.22  307.713   34.590  337.643   19.762 -29.92963 39.83760 
1 1 1  -48   18    4 o  356.975   16.511 52292.91  4785.61 49678.24  8654.34 53444.58  5743.66  341.868   31.533  359.543   19.750 -17.67499 37.20708 
1 1 1  -48   18    5 o  157.741   11.297 10207.35  1437.36 10001.03  2729.39 10286.52  1690.81  153.800   22.524  158.042   13.300 -4.241821 26.15708 
1 1 1  -48   18    6 o  115.693   11.070  5513.54  1027.22  7065.46  1861.53  4834.09  1231.72  129.747   18.168  107.674   14.453 22.07360 23.21601 
1 1 1  -48   18    7 o  183.904   16.549 14027.60  2444.70   0.0000   0.0000 14027.60  2444.70  ?   ?   183.904   16.549 0.000000 16.54904 
1 1 1  -48   18    8 o  292.867   17.704 35568.52  4190.19 30452.85  6343.02 39529.47  5581.42  265.741   29.917  306.840   22.561 -41.09943 37.47015 
1 1 1  -48   18    9 o  206.063   13.610 17527.03  2264.41 18712.80  3601.41 16751.77  2912.04  210.499   21.367  200.167   18.113 10.33116 28.01152 
1 1 1  -48   18   10 o  276.959   16.688 31966.03  3735.31 30251.31  5641.83 33304.27  4984.16  264.205   26.664  280.044   22.099 -15.83881 34.63120 
1 1 1  -48   18   11 o  158.247   8.7783 10280.05  1123.52 10550.74  2657.70 10221.14  1239.74  156.196   21.527  157.593   9.7362 -1.396759 23.62678 
1 1 1  -48   18   12 o  142.258   8.7441  8330.32  1005.12  7620.08  2376.28  8485.08  1109.24  130.802   23.225  143.382   9.5830 -12.57980 25.12413 
1 1 1  -48   18   13 o  103.025   8.9198  4397.47  738.805 -319.9558  1959.88  5178.86  797.650   52.351   23.206  111.881   8.8528 -59.52975 24.83741 
1 1 1  -48   18   14 o   89.318   8.9511  3322.24  640.426  5808.70  1836.02  2977.81  683.345  113.461   20.692   84.190   10.205 29.27085 23.07144 
1 1 1  -48   18   15 o  168.185   10.244 11817.20  1392.32  8007.71  3130.58 12756.53  1554.53  124.466   31.073  174.375   11.036 -49.90897 32.97457 
1 1 1  -48   18   16 o  130.879   9.8808  7191.25  1042.28  2178.68  2655.07  8104.44  1133.25   72.483   29.247  138.871   10.120 -66.38811 30.94866 
1 1 1  -48   18   17 o   49.237   14.776  1082.29  637.854  1262.64  2135.97  1064.64  668.351   61.420   25.657   48.959   15.210 12.46156 29.82681 
1 1 1  -48   18   18 o   99.761   10.912  4296.86  869.448  2515.15  2691.78  4504.40  918.691   70.296   29.035  101.956   11.287 -31.66071 31.15194 
1 1 1  -48   18   19 o   69.468   13.963  2231.21  760.249  3608.78  2663.65  2109.03  793.245   74.305   29.528   66.907   14.975 7.398064 33.10788 
1 1 1  -48   18   20 o   46.720   17.314  1025.02  872.688 -810.9035  2813.58  1220.45  917.961   49.099   23.669   49.696   17.859 -0.5963745 29.65062 
1 1 1  -48   18   21 o   91.372   19.842  4773.06  1429.93  2408.78  3542.56  5233.24  1562.91   55.888   26.844   94.109   20.988 -38.22147 34.07456 
1 1 1  -48   18   22 o   36.828   16.593  357.534  1046.34  4138.51  3479.74 -18.3193  1097.12   53.267   25.834   34.610   16.102 18.65687 30.44117 
1 1 1  -48   20    1 o  355.866   19.490 52390.94  5610.22   0.0000   0.0000 52390.94  5610.22  ?   ?   355.866   19.490 0.000000 19.48988 
1 1 1  -48   20    2 o  256.948   17.297 27271.17  3587.74   0.0000   0.0000 27271.17  3587.74  ?   ?   256.948   17.297 0.000000 17.29707 
1 1 1  -48   20    3 o  369.889   20.108 56725.77  6016.59   0.0000   0.0000 56725.77  6016.59  ?   ?   369.889   20.108 0.000000 20.10830 
1 1 1  -48   20    4 f   82.316   11.709  2823.52  760.534  5670.34  1791.15  2197.39  840.018  115.554   19.803   71.889   14.881 43.66515 24.77071 
1 1 1  -48   20    5 o  129.167   11.758  6877.53  1219.68  6490.99  2548.61  6992.36  1389.07  122.029   26.482  129.967   13.353 -7.937965 29.65825 
1 1 1  -48   20    6 o  290.279   22.873 35443.25  5347.31   0.0000   0.0000 35443.25  5347.31  ?   ?   290.279   22.873 0.000000 22.87253 
1 1 1  -48   20    7 o  228.789   15.589 21686.97  2878.72 18231.67  4634.37 23857.81  3673.35  204.784   28.656  238.846   19.101 -34.06264 34.43866 
1 1 1  -48   20    8 o  161.283   13.522 10782.58  1754.44  8387.46  3053.78 11962.63  2143.50  137.327   28.327  169.335   15.771 -32.00781 32.42175 
1 1 1  -48   20    9 o   42.790   15.062  672.500  649.719 -782.9186  1418.76  1058.73  730.860   41.908   19.057   50.673   15.933 -8.765095 24.84004 
1 1 1  -48   20   10 o  189.540   25.423 15886.07  3814.05 15886.07  3814.05   0.0000   0.0000  189.540   25.423  ?   ?  0.000000 25.42341 
1 1 1  -48   20   11 o  174.616   10.709 12624.43  1511.06  9690.67  3646.95 13232.47  1660.28  142.138   32.329  178.519   11.515 -36.38123 34.31889 
1 1 1  -48   20   12 o   76.778   8.8165  2455.25  539.661 -611.5367  1996.11  2697.08  560.535   51.038   22.964   80.537   8.7105 -29.49969 24.56070 
1 1 1  -48   20   13 o   79.922   9.5933  2676.85  610.104  464.039  2051.37  2891.57  639.020   58.035   24.736   83.091   9.6514 -25.05549 26.55222 
1 1 1  -48   20   14 o  131.065   9.2437  7150.24  977.413  5455.54  2696.66  7406.55  1048.72  103.043   30.249  133.217   9.7634 -30.17426 31.78522 
1 1 1  -48   20   15 o  113.798   9.6298  5432.78  881.443  684.171  2603.44  6047.58  936.767   62.730   27.308  120.080   9.6903 -57.34944 28.97663 
1 1 1  -48   20   16 o  166.992   10.773 11820.10  1452.91  7174.37  3549.69 12755.04  1592.41  107.459   35.238  173.065   11.396 -65.60620 37.03533 
1 1 1  -48   20   17 o   69.616   11.954  2134.78  651.355  2137.80  2554.49  2134.57  673.622   68.019   28.206   69.413   12.407 -1.393196 30.81392 
1 1 1  -48   20   18 o   91.938   11.226  3703.45  820.609 -595.9865  2975.33  4057.43  853.721   54.296   25.656   96.344   11.117 -42.04809 27.96110 
1 1 1  -48   20   19 o   68.095   19.382  2458.85  1123.03  298.387  3046.37  2798.62  1208.11   54.834   25.926   72.264   19.939 -17.42959 32.70665 
1 1 1  -48   20   20 o   25.394   12.252 -881.7508  757.464 -1747.5150  3000.92 -822.8387  782.811   45.334   22.391   26.272   12.619 19.06175 25.70229 
1 1 1  -48   20   21 o   74.693   22.143  3845.25  1438.96 -1686.3440  3887.81  4723.30  1548.96   44.573   22.508   83.469   22.391 -38.89609 31.74871 
1 1 1  -48   22    1 o  136.829   14.168  7768.24  1551.23   0.0000   0.0000  7768.24  1551.23  ?   ?   136.829   14.168 0.000000 14.16769 
1 1 1  -48   22    2 o  291.764   18.736 35414.79  4415.09   0.0000   0.0000 35414.79  4415.09  ?   ?   291.764   18.736 0.000000 18.73582 
1 1 1  -48   22    3 o  221.721   16.322 20393.60  2917.85   0.0000   0.0000 20393.60  2917.85  ?   ?   221.721   16.322 0.000000 16.32233 
1 1 1  -48   22    4 o  225.675   14.990 21075.76  2731.10 16871.94  5599.11 22388.20  3128.51  192.621   37.146  232.100   16.712 -39.47873 40.73233 
1 1 1  -48   22    5 o  393.029   24.101 65622.60  7654.24   0.0000   0.0000 65622.60  7654.24  ?   ?   393.029   24.101 0.000000 24.10137 
1 1 1  -48   22    6 o  207.616   14.362 17882.09  2406.19 14067.73  4657.13 19271.11  2810.36  175.619   33.887  214.944   16.222 -39.32504 37.56990 
1 1 1  -48   22    7 o  115.803   13.470  5609.97  1242.92  4291.83  2639.41  5985.56  1408.91   97.924   30.195  119.296   14.868 -21.37206 33.65665 
1 1 1  -48   22    8 o  155.981   13.862 10164.78  1737.34  8452.32  3238.95 10856.50  2058.53  135.283   30.246  160.505   16.009 -25.22142 34.22124 
1 1 1  -48   22    9 o  160.840   27.823 11800.49  3502.14 11800.49  3502.14   0.0000   0.0000  160.840   27.823  ?   ?  0.000000 27.82347 
1 1 1  -48   22   10 o  161.429   14.470 10998.73  1876.47 10894.12  3423.76 11043.65  2243.42  152.739   28.659  160.373   17.513 -7.633530 33.58666 
1 1 1  -48   22   11 o   32.567   14.191 -91.2282  704.565 -1011.6630  1727.53   92.423  771.660   44.858   20.634   36.161   15.282 8.697033 25.67696 
1 1 1  -48   22   12 o  196.214   11.364 16100.28  1802.80 11146.04  4354.31 17125.21  1980.52  143.787   37.062  201.975   12.133 -58.18819 38.99714 
1 1 1  -48   22   13 f  122.696   9.2884  6274.06  918.504  4873.08  3147.85  6404.44  960.293   96.166   33.193  123.854   9.6245 -27.68827 34.56000 
1 1 1  -48   22   14 o  142.179   9.1765  8438.49  1053.72 14800.07  3431.39  7776.13  1107.22  175.175   24.819  136.070   10.094 39.10570 26.79279 
1 1 1  -48   22   15 o   19.031   8.8982 -318.4543  341.758 -8947.2305  2423.68 -143.4065  345.207   32.016   16.327   21.352   9.5832 10.66392 18.93155 
1 1 1  -48   22   16 o   69.832   11.781  2141.34  644.235  3088.18  3023.15  2096.30  659.381   75.460   30.924   68.883   12.237 6.576141 33.25760 
1 1 1  -48   22   17 o   21.461   10.193 -536.0552  481.382  3631.64  2965.78 -648.8251  487.851   75.483   30.746   20.750   9.9653 54.73288 32.32108 
1 1 1  -48   22   18 o   37.483   16.974 -152.9601  1111.09  1029.85  3263.92 -307.9923  1181.66   58.847   27.510   37.405   17.154 21.44218 32.42041 
1 1 1  -48   22   19 o   50.166   18.859  1314.63  1042.63 -2430.1060  3715.48  1634.72  1086.28   47.915   23.877   54.372   19.439 -6.456844 30.78944 
1 1 1  -48   22   20 o   40.487   17.294  661.520  1006.65 -2827.1470  4048.34  891.444  1039.30   44.549   22.551   43.007   17.925 1.542316 28.80727 
1 1 1  -48   24    1 o  225.415   17.057 21262.13  3098.83   0.0000   0.0000 21262.13  3098.83  ?   ?   225.415   17.057 0.000000 17.05704 
1 1 1  -48   24    2 o  150.727   15.396  9509.96  1857.78   0.0000   0.0000  9509.96  1857.78  ?   ?   150.727   15.396 0.000000 15.39583 
1 1 1  -48   24    3 o  225.983   16.814 21389.46  3063.13   0.0000   0.0000 21389.46  3063.13  ?   ?   225.983   16.814 0.000000 16.81399 
1 1 1  -48   24    4 o  513.587   29.704 116840.50 12334.18   0.0000   0.0000 116840.50 12334.18  ?   ?   513.587   29.704 0.000000 29.70407 
1 1 1  -48   24    5 o  286.170   16.411 34326.10  3797.44 29005.37  7518.94 36148.01  4399.82  246.160   38.912  292.380   18.630 -46.22000 43.14183 
1 1 1  -48   24    6 o  102.127   13.868  4405.55  1120.22  4024.37  3141.40  4461.08  1199.04   95.399   33.146  102.500   14.839 -7.101303 36.31556 
1 1 1  -48   24    7 o  239.584   16.146 24217.31  3122.59 22778.84  6050.21 24739.60  3645.67  217.735   35.441  240.564   18.814 -22.82893 40.12518 
1 1 1  -48   24    8 o  184.751   15.928 14479.97  2366.00 11472.92  4507.90 15623.29  2779.63  150.688   37.093  190.750   18.166 -40.06142 41.30219 
1 1 1  -48   24    9 o   49.639   16.578  1003.52  784.394  193.060  2297.66  1110.44  834.531   59.537   25.786   51.844   17.090 7.693501 30.93516 
1 1 1  -48   24   10 o  115.406   15.786  5754.93  1440.44  3406.66  2963.53  6481.31  1648.23   86.544   31.939  121.968   17.114 -35.42397 36.23534 
1 1 1  -48   24   11 f   53.110   18.071  1170.03  932.168 -563.2972  2668.70  1410.90  994.831   58.231   26.344   57.203   18.650 1.028641 32.27728 
1 1 1  -48   24   12 o   31.790   10.883  391.760  338.134  3817.71  2739.47  338.758  340.739   87.036   30.896   30.516   10.889 56.51963 32.75883 
1 1 1  -48   24   13 o   29.053   10.748  284.679  336.026  325.742  2503.75  283.925  339.093   59.646   26.345   29.104   10.791 30.54193 28.46912 
1 1 1  -48   24   14 o   56.275   11.245  1385.07  495.859  895.953  3354.90  1396.00  501.366   66.982   29.983   56.475   11.328 10.50662 32.05096 
1 1 1  -48   24   15 o   68.101   11.800  2040.24  628.861  5035.49  4046.10  1966.10  636.597   86.127   35.588   66.650   12.213 19.47742 37.62565 
1 1 1  -48   24   16 o   23.551   10.655 -190.8840  436.720  2087.88  3576.44 -225.3768  440.012   67.704   30.575   23.248   10.588 44.45628 32.35646 
1 1 1  -48   24   17 o   37.176   17.082 -342.5722  1179.69  4590.58  3904.12 -838.2457  1237.54   73.509   32.661   35.035   16.552 38.47416 36.61562 
1 1 1  -48   24   18 o   58.590   20.789  1988.16  1240.18 -806.5995  4460.29  2222.33  1291.09   53.480   26.570   61.293   21.252 -7.813240 34.02326 
1 1 1  -48   24   19 o   50.600   20.912  1580.26  1397.30  998.779  4778.79  1634.62  1461.16   51.524   25.879   51.024   21.259 0.4993744 33.49145 
1 1 1  -48   26    1 o  182.549   17.514 14142.93  2564.06   0.0000   0.0000 14142.93  2564.06  ?   ?   182.549   17.514 0.000000 17.51353 
1 1 1  -48   26    2 o  213.502   17.837 19353.29  3063.86   0.0000   0.0000 19353.29  3063.86  ?   ?   213.502   17.837 0.000000 17.83715 
1 1 1  -48   26    3 o   74.213   16.533  2399.87  970.761   0.0000   0.0000  2399.87  970.761  ?   ?    74.213   16.533 0.000000 16.53333 
1 1 1  -48   26    4 o   89.925   18.103  3538.55  1276.05   0.0000   0.0000  3538.55  1276.05  ?   ?    89.925   18.103 0.000000 18.10267 
1 1 1  -48   26    5 o  146.336   14.791  9053.02  1733.32  8058.18  4557.92  9221.22  1874.12  124.944   39.846  147.244   15.929 -22.30024 42.91181 
1 1 1  -48   26    6 o  266.904   17.659 30457.99  3805.40 26781.40  7824.38 31597.07  4355.18  222.474   44.863  269.961   20.011 -47.48663 49.12352 
1 1 1  -48   26    7 o  153.209   15.301 10000.75  1877.97  6793.78  4683.89 10615.04  2049.95  113.469   40.386  157.409   16.274 -43.93950 43.54189 
1 1 1  -48   26    8 o   65.402   18.057  1904.44  990.437  1056.42  2958.72  2011.46  1051.08   70.331   29.833   67.102   18.630 3.229706 35.17256 
1 1 1  -48   26    9 o   32.642   14.586 -267.9531  790.230 -3907.0310  2898.29   24.303  821.349   48.458   23.519   36.274   15.561 12.18428 28.20056 
1 1 1  -48   26   10 o   95.946   18.445  4149.12  1384.79 -1175.1780  3605.61  5070.37  1499.81   63.652   29.468  106.548   17.976 -42.89562 34.51794 
1 1 1  -48   26   11 o  274.864   21.420 34664.97  4742.83 26902.21  8102.30 38711.49  5849.81  193.743   50.859  283.598   25.682 -89.85480 56.97555 
1 1 1  -48   26   12 f   85.177   19.540  3406.03  1322.71  4065.71  3477.17  3294.42  1430.23   86.317   33.915   82.864   21.177 3.452774 39.98366 
1 1 1  -48   26   13 o   85.976   9.2024  3126.90  632.443  921.722  3568.86  3198.40  642.614   67.595   30.533   86.947   9.2442 -19.35194 31.90145 
1 1 1  -48   26   14 o   85.045   9.6133  3089.65  652.180  188.782  3738.01  3180.72  662.339   63.431   29.582   86.302   9.6154 -22.87123 31.10522 
1 1 1  -48   26   15 o  143.157   19.125 10020.12  2167.43  9665.17  4901.59 10106.39  2416.52   98.862   39.793  140.244   21.940 -41.38219 45.44030 
1 1 1  -48   26   16 o  113.661   21.356  6898.85  1898.60  7698.55  4744.27  6746.35  2071.73   82.153   36.276  108.650   24.113 -26.49723 43.55920 
1 1 1  -48   26   17 o   51.070   21.035  1333.33  1407.65 -2473.2900  4633.75  1720.33  1477.47   51.090   25.637   54.834   21.926 -3.743839 33.73394 
1 1 1  -48   26   18 o   40.606   18.418  369.371  1314.32 -6524.4658  5507.13  785.742  1353.43   45.188   23.165   43.843   19.367 1.345444 30.19407 
1 1 1  -48   28    1 o  151.966   18.642 10005.47  2252.03   0.0000   0.0000 10005.47  2252.03  ?   ?   151.966   18.642 0.000000 18.64209 
1 1 1  -48   28    2 o   90.167   19.708  3625.07  1402.57   0.0000   0.0000  3625.07  1402.57  ?   ?    90.167   19.708 0.000000 19.70766 
1 1 1  -48   28    3 o  173.088   17.680 12908.71  2449.88   0.0000   0.0000 12908.71  2449.88  ?   ?   173.088   17.680 0.000000 17.67985 
1 1 1  -48   28    4 o  203.527   18.815 17986.58  3074.10   0.0000   0.0000 17986.58  3074.10  ?   ?   203.527   18.815 0.000000 18.81484 
1 1 1  -48   28    5 o  121.912   17.842  6501.79  1713.89   0.0000   0.0000  6501.79  1713.89  ?   ?   121.912   17.842 0.000000 17.84220 
1 1 1  -48   28    6 f  142.021   35.679 10612.10  4109.10 14329.21  5510.60  5956.83  6166.92  158.431   42.114  106.525   43.970 51.90553 60.88457 
1 1 1  -48   28    7 o  274.350   19.457 33223.52  4306.15 31932.81  9132.71 33592.50  4883.03  221.015   51.795  272.564   22.258 -51.54895 56.37491 
1 1 1  -48   28    8 o  214.271   17.893 20188.63  3084.59 16971.92  7036.32 20953.88  3431.93  155.435   49.501  216.556   19.734 -61.12128 53.28960 
1 1 1  -48   28    9 o   64.874   20.044  1924.89  1162.39 -2287.5811  3495.87  2448.50  1232.52   58.175   27.584   72.517   20.188 -14.34166 34.18261 
1 1 1  -48   28   10 o   58.887   19.480  1554.70  1083.84  2747.61  4340.09  1475.36  1119.30   81.331   35.332   57.882   19.801 23.44917 40.50227 
1 1 1  -48   28   11 o  135.594   18.408  8438.41  1974.33  5592.10  5394.78  8878.59  2121.50   92.003   39.679  138.251   19.436 -46.24837 44.18357 
1 1 1  -48   28   12 o   97.459   20.214  4596.21  1547.17 11170.21  4821.04  3841.42  1633.58  120.410   41.095   86.902   22.848 33.50812 47.02005 
1 1 1  -48   28   13 o  134.013   19.383  8676.85  2047.93  8234.69  4990.42  8766.39  2245.74   95.439   39.487  132.210   21.671 -36.77058 45.04261 
1 1 1  -48   28   14 o   67.589   23.589  2539.94  1591.93  5310.06  4687.72  2178.83  1692.51   77.931   35.116   63.480   23.992 14.45104 42.52943 
1 1 1  -48   28   15 o   35.427   16.675 -702.0308  1234.91  6060.98  5260.30 -1096.4990  1270.42   72.509   34.217   33.884   16.222 38.62566 37.86730 
1 1 1  -48   28   16 o   68.927   24.104  3218.29  1662.59  5852.63  5352.19  2936.94  1749.12   64.585   31.484   65.094   24.435 -0.5089951 39.85339 
1 1 1  -48   28   17 o   29.200   14.375 -1569.8760  1203.01 -796.9478  5211.96 -1613.3719  1236.39   49.085   24.925   29.496   14.531 19.58890 28.85183 
1 1 1  -48   30    1 o  109.279   22.833  5506.99  1960.72   0.0000   0.0000  5506.99  1960.72  ?   ?   109.279   22.833 0.000000 22.83328 
1 1 1  -48   30    2 o  258.773   21.592 29948.50  4495.30   0.0000   0.0000 29948.50  4495.30  ?   ?   258.773   21.592 0.000000 21.59167 
1 1 1  -48   30    3 o  130.639   20.743  7699.56  2126.75   0.0000   0.0000  7699.56  2126.75  ?   ?   130.639   20.743 0.000000 20.74281 
1 1 1  -48   30    4 o   52.992   19.127  1096.84  1054.29   0.0000   0.0000  1096.84  1054.29  ?   ?    52.992   19.127 0.000000 19.12706 
1 1 1  -48   30    5 o   58.558   28.376 -4472.0972  4175.96   0.0000   0.0000 -4472.0972  4175.96  ?   ?    58.558   28.376 0.000000 28.37626 
1 1 1  -48   30    6 o   71.915   19.988  2394.01  1209.16  2342.33  5298.89  2396.85  1241.93   85.264   37.958   71.880   20.356 13.38383 43.07150 
1 1 1  -48   30    7 o   78.782   20.337  2913.70  1309.77  3449.19  5316.29  2879.10  1351.43   87.980   38.642   78.090   20.901 9.889694 43.93190 
1 1 1  -48   30    8 o  100.626   19.311  4694.74  1520.39  6774.15  5328.35  4510.43  1586.34  100.261   41.068   97.742   20.636 2.519287 45.96102 
1 1 1  -48   30    9 o   37.437   16.792 -269.2217  1057.99  1966.66  4575.96 -395.4933  1087.45   76.607   34.591   36.986   16.767 39.62183 38.44060 
1 1 1  -48   30   10 o   45.347   19.069  430.986  1191.93  7287.29  4430.56 -103.9515  1237.56   99.382   38.498   41.387   18.389 57.99450 42.66452 
1 1 1  -48   30   11 o   60.174   20.969  1748.80  1257.68  491.359  5899.55  1808.67  1287.28   70.975   34.230   60.981   21.216 9.993546 40.27135 
1 1 1  -48   30   12 o   50.575   20.002  1041.69  1216.92  3348.33  5333.51  915.014  1249.89   73.216   34.521   49.471   20.030 23.74559 39.91106 
1 1 1  -48   30   13 o  107.773   22.640  6355.68  1918.17 11608.99  6731.18  5891.37  2001.15   85.418   39.789  100.918   24.636 -15.50036 46.79848 
1 1 1  -48   30   14 o   56.257   22.085  1779.29  1473.38 -4024.8960  6310.52  2113.94  1515.26   54.566   27.679   59.666   22.664 -5.099937 35.77454 
1 1 1  -48   30   15 o   28.926   14.285 -1857.5140  1220.17 -6019.2891  5212.15 -1616.2111  1255.05   46.651   23.804   30.320   14.878 16.33052 28.07116 
1 1 1  -48   32    1 o  231.530   23.467 25068.75  4350.75   0.0000   0.0000 25068.75  4350.75  ?   ?   231.530   23.467 0.000000 23.46716 
1 1 1  -48   32    2 o   96.054   39.342  5207.19  4889.62   0.0000   0.0000  5207.19  4889.62  ?   ?    96.054   39.342 0.000000 39.34218 
1 1 1  -48   32    3 o   57.651   27.785 -3440.7981  3871.52   0.0000   0.0000 -3440.7981  3871.52  ?   ?    57.651   27.785 0.000000 27.78496 
1 1 1  -48   32    4 o   63.734   21.885  1839.07  1367.60   0.0000   0.0000  1839.07  1367.60  ?   ?    63.734   21.885 0.000000 21.88532 
1 1 1  -48   32    5 o   38.456   17.389 -397.9840  1161.11   0.0000   0.0000 -397.9840  1161.11  ?   ?    38.456   17.389 0.000000 17.38888 
1 1 1  -48   32    6 o  130.028   22.082  8123.84  2247.98   0.0000   0.0000  8123.84  2247.98  ?   ?   130.028   22.082 0.000000 22.08180 
1 1 1  -48   32    7 o   19.671   9.9339 -2408.8979  758.126  5448.00  7301.83 -2494.5190  762.245   89.059   41.470   19.501   9.8615 69.55820 42.62674 
1 1 1  -48   32    8 o   49.046   19.235  878.970  1116.57 -1112.4100  6892.46  932.640  1131.52   72.240   35.326   49.816   19.411 22.42406 40.30798 
1 1 1  -48   32    9 o   51.494   20.747  979.514  1333.93  6897.88  6604.71  727.835  1362.00   85.929   39.817   49.316   20.535 36.61241 44.80008 
1 1 1  -48   32   10 o   71.143   24.246  2821.86  1678.18  9144.39  7003.38  2436.70  1728.54   85.721   40.144   66.758   24.430 18.96351 46.99384 
1 1 1  -48   32   11 o  127.353   23.720  8972.20  2362.51 -654.7637  8603.20  9757.38  2456.97   65.684   33.206  133.081   23.602 -67.39702 40.73886 
1 1 1  -48   32   12 o   63.215   23.956  2455.91  1690.34  880.518  7701.55  2535.64  1732.58   62.064   31.381   63.848   24.240 -1.783436 39.65219 
1 1 1  -48   32   13 o   35.566   16.692 -472.9012  1222.02 -2703.5869  7835.58 -417.2920  1237.16   54.952   28.131   36.081   16.889 18.87063 32.81126 
1 1 1  -48   32   14 o   43.901   19.645  734.245  1439.24 -3558.0569  8269.28  868.329  1461.54   50.532   26.021   44.941   19.975 5.591171 32.80399 
1 1 1  -48   34    1 o  112.171   28.596  6830.62  2612.38   0.0000   0.0000  6830.62  2612.38  ?   ?   112.171   28.596 0.000000 28.59630 
1 1 1  -48   34    2 o  133.696   26.721  9317.21  2799.28   0.0000   0.0000  9317.21  2799.28  ?   ?   133.696   26.721 0.000000 26.72068 
1 1 1  -48   34    3 o  142.018   26.225 10481.72  2912.74   0.0000   0.0000 10481.72  2912.74  ?   ?   142.018   26.225 0.000000 26.22524 
1 1 1  -48   34    4 o   53.934   22.124  974.279  1549.16   0.0000   0.0000  974.279  1549.16  ?   ?    53.934   22.124 0.000000 22.12381 
1 1 1  -48   34    5 o   57.441   22.759  1373.84  1578.20   0.0000   0.0000  1373.84  1578.20  ?   ?    57.441   22.759 0.000000 22.75928 
1 1 1  -48   34    6 o  117.657   25.140  7433.52  2328.80   0.0000   0.0000  7433.52  2328.80  ?   ?   117.657   25.140 0.000000 25.13983 
1 1 1  -48   34    7 o   38.621   17.862 -553.1780  1320.00 -9088.4404  9957.54 -400.5063  1331.75   65.278   33.272   39.742   18.220 25.53540 37.93431 
1 1 1  -48   34    8 o   42.525   18.803  160.002  1278.95  9371.85  9645.39  -4.8585  1290.34   78.004   38.806   41.428   18.566 36.57608 43.01814 
1 1 1  -48   34    9 o   35.610   16.769 -751.0409  1251.23 -6756.0991  9562.53 -646.4374  1262.08   60.866   31.152   36.362   17.033 24.50349 35.50440 
1 1 1  -48   34   10 o   57.533   23.445  1895.20  1725.46  5468.10  9600.15  1775.93  1754.03   65.157   33.159   56.542   23.403 8.614994 40.58625 
1 1 1  -48   34   11 o   29.376   14.588 -2303.1741  1338.91 -6744.7881 11068.61 -2237.2180  1348.81   55.375   28.583   29.723   14.740 25.65121 32.16013 
1 1 1  -48   36    1 o   79.264   30.234  4105.57  2703.37   0.0000   0.0000  4105.57  2703.37  ?   ?    79.264   30.234 0.000000 30.23371 
1 1 1  -48   36    2 o   78.892   29.132  3987.39  2466.18   0.0000   0.0000  3987.39  2466.18  ?   ?    78.892   29.132 0.000000 29.13182 
1 1 1  -48   36    3 o   88.683   29.794  5209.25  2533.58   0.0000   0.0000  5209.25  2533.58  ?   ?    88.683   29.794 0.000000 29.79370 
1 1 1  -48   36    4 o   41.822   19.322 -411.8773  1538.38   0.0000   0.0000 -411.8773  1538.38  ?   ?    41.822   19.322 0.000000 19.32161 
1 1 1  -48   36    5 o   43.933   20.029 -66.4899  1579.95   0.0000   0.0000 -66.4899  1579.95  ?   ?    43.933   20.029 0.000000 20.02940 
1 1 1  -48   36    6 o   62.505   25.655  2349.19  2084.69   0.0000   0.0000  2349.19  2084.69  ?   ?    62.505   25.655 0.000000 25.65497 
1 1 1  -48   36    7 o   47.546   20.803  730.727  1527.91   0.0000   0.0000  730.727  1527.91  ?   ?    47.546   20.803 0.000000 20.80304 
1 1 1  -48   36    8 o   44.653   20.299  351.709  1607.93 -18579.8906 14393.49  590.955  1618.06   55.374   28.728   46.219   20.746 9.154858 35.43589 
1 1 1  -47    1    1 o  194.094   13.115 15402.47  2054.75 15656.00  2899.87 15146.83  2911.89  195.018   18.536  191.732   18.952 3.286835 26.51006 
1 1 1  -47    1    2 o  297.544   24.537 36506.59  5875.10 36506.59  5875.10   0.0000   0.0000  297.544   24.537  ?   ?  0.000000 24.53668 
1 1 1  -47    1    3 o  426.707   29.942 75326.67 10308.26 75326.67 10308.26   0.0000   0.0000  426.707   29.942  ?   ?  0.000000 29.94168 
1 1 1  -47    1    4 o  363.177   25.790 54429.17  7555.77 54429.17  7555.77   0.0000   0.0000  363.177   25.790  ?   ?  0.000000 25.79021 
1 1 1  -47    1    5 o  247.822   18.547 25237.22  3705.01 25237.22  3705.01   0.0000   0.0000  247.822   18.547  ?   ?  0.000000 18.54691 
1 1 1  -47    1    8 o  482.987   34.519 98072.79 13447.91   0.0000   0.0000 98072.79 13447.91  ?   ?   482.987   34.519 0.000000 34.51851 
1 1 1  -47    1    9 o  257.464   19.554 27359.31  4057.20   0.0000   0.0000 27359.31  4057.20  ?   ?   257.464   19.554 0.000000 19.55367 
1 1 1  -47    1   10 o  301.104   14.784 37069.75  3614.46   0.0000   0.0000 37069.75  3614.46  ?   ?   301.104   14.784 0.000000 14.78384 
1 1 1  -47    1   11 o  133.278   13.371  7330.79  1427.48   0.0000   0.0000  7330.79  1427.48  ?   ?   133.278   13.371 0.000000 13.37114 
1 1 1  -47    1   12 o  232.931   10.174 22125.78  1924.16 23419.48  3255.77 21431.37  2385.31  238.128   16.949  228.581   12.905 9.546112 21.30267 
1 1 1  -47    1   13 o  361.413   14.962 53628.46  4390.69 57887.89  7521.82 51426.97  5407.60  370.976   25.119  352.240   18.977 18.73593 31.48190 
1 1 1  -47    1   14 o  136.892   7.5681  7657.13  837.941  8925.44  1345.48  6853.52  1071.00  147.279   11.338  129.114   10.302 18.16481 15.31936 
1 1 1  -47    1   15 f  282.100   10.046 32557.46  2301.11 33588.98  3257.58 31530.12  3250.96  285.491   14.053  276.091   14.553 9.399658 20.23061 
1 1 1  -47    1   16 o  307.277   11.383 38863.73  2839.93 40286.10  4020.26 37447.00  4012.29  310.406   16.005  298.915   16.597 11.49182 23.05686 
1 1 1  -47    1   17 o   35.032   8.8687  523.643  252.506  635.401  338.254  382.978  379.488   38.606   10.509   32.492   11.503 6.114021 15.58056 
1 1 1  -47    1   18 o  156.318   7.5844 10038.87  962.649 10036.13  1335.28 10041.83  1389.10  155.063   10.670  154.928   11.116 0.1350403 15.40875 
1 1 1  -47    1   19 o   86.768   6.7491  3111.54  471.754  2799.07  641.617  3479.25  696.022   81.424   9.9090   91.010   9.5618 -9.585205 13.77014 
1 1 1  -47    1   20 o   41.868   8.9275  757.068  294.228  933.113  427.824  599.078  405.292   46.049   11.482   37.611   11.870 8.438271 16.51435 
1 1 1  -47    1   21 o   54.629   8.3884  1274.44  360.188  1260.40  487.357  1291.33  534.692   53.268   11.597   53.633   12.508 -0.3656502 17.05680 
1 1 1  -47    1   22 o   76.269   7.7804  2464.70  475.079  2390.59  650.396  2549.47  695.606   73.490   11.258   75.699   11.694 -2.209229 16.23261 
1 1 1  -47    1   23 o   37.884   10.473  651.871  332.911  490.754  446.526  853.514  499.537   34.457   12.446   42.666   13.133 -8.209030 18.09342 
1 1 1  -47    1   24 o   65.038   8.8135  1883.24  453.440  1921.02  619.397  1839.62  665.618   63.029   12.544   60.581   13.835 2.447201 18.67537 
1 1 1  -47    1   25 o   38.889   10.848  748.729  355.504  620.282  484.553  898.472  523.183   35.312   12.933   40.915   13.534 -5.602779 18.71970 
1 1 1  -47    3    1 o  411.260   30.877 70048.65 10235.32 70048.65 10235.32   0.0000   0.0000  411.260   30.877  ?   ?  0.000000 30.87654 
1 1 1  -47    3    2 o  579.465   40.633 140506.59 18997.25 140506.59 18997.25   0.0000   0.0000  579.465   40.633  ?   ?  0.000000 40.63319 
1 1 1  -47    3    3 o  257.903   19.135 27315.61  3978.39 27315.61  3978.39   0.0000   0.0000  257.903   19.135  ?   ?  0.000000 19.13461 
1 1 1  -47    3    4 o  322.618   23.441 42895.29  6098.52 42895.29  6098.52   0.0000   0.0000  322.618   23.441  ?   ?  0.000000 23.44096 
1 1 1  -47    3    5 o   58.645   7.3853  1419.90  343.877  1356.30  536.559  1464.24  447.973   56.649   12.036   59.241   9.6449 -2.592037 15.42389 
1 1 1  -47    3    6 o  442.706   21.834 80403.37  7848.51 79080.55 11163.39 81696.30 11036.64  435.444   31.793  442.952   30.879 -7.507629 44.32105 
1 1 1  -47    3    7 o  285.656   20.811 33643.25  4793.70   0.0000   0.0000 33643.25  4793.70  ?   ?   285.656   20.811 0.000000 20.81066 
1 1 1  -47    3    8 o  452.600   22.795 84505.48  8350.15 78465.23 11867.97 90426.96 11750.71  431.836   34.125  465.019   31.303 -33.18283 46.30773 
1 1 1  -47    3    9 o  454.283   22.500 85027.91  8299.38 85617.73 11787.92 84448.15 11686.91  451.286   32.385  448.206   32.330 3.080078 45.76067 
1 1 1  -47    3   10 o  266.296   14.194 29062.36  3057.97 29925.07  4378.36 28240.74  4272.82  268.957   20.196  261.211   20.305 7.746643 28.63917 
1 1 1  -47    3   11 o  295.414   15.419 35843.83  3685.59 38806.19  5270.95 33009.94  5155.39  305.827   21.360  281.534   22.747 24.29330 31.20384 
1 1 1  -47    3   12 o  648.529   32.871 179241.80 17252.87 175260.91 24441.15 183195.59 24357.55  624.130   48.612  639.909   47.212 -15.77966 67.76555 
1 1 1  -47    3   13 o  153.388   14.564  9739.86  1792.15   0.0000   0.0000  9739.86  1792.15  ?   ?   153.388   14.564 0.000000 14.56413 
1 1 1  -47    3   14 o  422.550   31.721 77309.41 10803.81   0.0000   0.0000 77309.41 10803.81  ?   ?   422.550   31.721 0.000000 31.72058 
1 1 1  -47    3   15 o  155.728   15.841 10137.08  1975.19   0.0000   0.0000 10137.08  1975.19  ?   ?   155.728   15.841 0.000000 15.84134 
1 1 1  -47    3   16 o  341.700   18.132 49252.45  5012.83 50923.30  6934.54 47423.74  7254.71  341.621   25.177  327.406   27.545 14.21454 37.31807 
1 1 1  -47    3   17 o  150.625   10.066  9398.57  1224.06  9458.13  1530.94  9293.02  2038.06  150.240   12.668  146.923   17.423 3.316238 21.54188 
1 1 1  -47    3   18 o  132.810   9.8641  7346.25  1056.13  7115.34  1249.20  7924.89  1977.51  129.924   11.976  133.839   18.708 -3.914246 22.21334 
1 1 1  -47    3   19 o   76.858   9.2361  2486.17  564.849  2255.57  614.205  3750.45  1438.16   72.707   10.726   89.803   20.211 -17.09559 22.88105 
1 1 1  -47    3   20 o   85.546   7.4141  3048.58  509.898  2681.66  727.029  3403.77  715.322   78.692   11.737   89.534   10.011 -10.84201 15.42676 
1 1 1  -47    3   21 o   88.848   7.5601  3307.28  540.209  3665.15  752.000  2925.69  776.531   92.443   10.188   81.597   12.086 10.84531 15.80697 
1 1 1  -47    3   22 o   36.690   10.268  597.370  317.967  908.224  434.926  240.467  466.030   44.726   11.804   30.469   12.268 14.25657 17.02444 
1 1 1  -47    3   23 o   33.096   11.640  460.017  387.969  517.524  398.342 -601.2516  1711.21   34.540   11.813   41.234   19.476 -6.693920 22.77798 
1 1 1  -47    3   24 o   39.124   12.481  740.376  447.143  740.376  447.143   0.0000   0.0000   39.124   12.481  ?   ?  0.000000 12.48050 
1 1 1  -47    3   25 o   34.407   12.246  585.658  430.677  585.658  430.677   0.0000   0.0000   34.407   12.246  ?   ?  0.000000 12.24633 
1 1 1  -47    5    1 o  236.018   10.307 22655.56  1975.27 23311.76  2354.56 21096.53  3629.26  239.019   12.172  226.337   19.952 12.68192 23.37210 
1 1 1  -47    5    2 o  585.924   32.708 142370.00 15498.88 171052.80 21609.72 111986.00 22241.37  638.218   41.934  509.790   54.580 128.4277 68.82905 
1 1 1  -47    5    3 o  435.850   31.067 78849.55 10922.52 78849.55 10922.52   0.0000   0.0000  435.850   31.067  ?   ?  0.000000 31.06699 
1 1 1  -47    5    4 f  385.615   27.779 61579.41  8639.58 61579.41  8639.58   0.0000   0.0000  385.615   27.779  ?   ?  0.000000 27.77918 
1 1 1  -47    5    5 o  457.831   32.743 87436.68 12091.65 87436.68 12091.65   0.0000   0.0000  457.831   32.743  ?   ?  0.000000 32.74294 
1 1 1  -47    5    6 o   69.428   7.5221  1982.39  417.262  1143.31  681.786  2484.89  527.614   52.398   15.161   77.709   8.5005 -25.31170 17.38102 
1 1 1  -47    5    7 f  252.285   11.154 25919.61  2284.78 19051.88  4088.02 29039.34  2755.28  213.837   23.956  266.914   12.713 -53.07768 27.12071 
1 1 1  -47    5    8 o  451.970   18.309 83690.30  6719.22 78199.35 11758.69 86352.55  8187.65  430.991   33.874  458.181   22.008 -27.18961 40.39560 
1 1 1  -47    5    9 o  530.915   21.473 116037.20  9256.53 95928.04 16144.94 125884.40 11297.85  471.654   42.618  551.537   25.228 -79.88284 49.52507 
1 1 1  -47    5   10 o  403.168   16.007 66570.98  5240.20 73903.13  9186.19 63034.16  6380.09  420.604   27.042  390.813   20.175 29.79059 33.73808 
1 1 1  -47    5   11 o  229.865   10.490 21544.17  1957.82 15444.22  3520.72 24274.90  2355.63  191.755   23.076  243.848   11.897 -52.09286 25.96209 
1 1 1  -47    5   12 o  201.054   9.5106 16478.50  1552.59 14310.37  2842.05 17400.79  1853.63  185.264   19.170  206.155   11.115 -20.89098 22.15950 
1 1 1  -47    5   13 o  340.670   13.976 47606.35  3865.80 54015.52  6827.86 44582.49  4689.90  358.790   23.568  328.216   17.663 30.57425 29.45245 
1 1 1  -47    5   14 o   23.643   10.173 -30.9692  352.946  229.626  1018.40 -66.5417  376.265   43.148   17.844   23.887   10.390 19.26129 20.64841 
1 1 1  -47    5   15 f  401.818   16.353 67018.79  5335.53 76012.40  9380.75 62717.99  6487.02  418.650   27.753  385.615   20.795 33.03479 34.67987 
1 1 1  -47    5   16 o  276.777   12.204 31654.25  2742.76 34539.11  4923.15 30355.86  3302.80  283.223   21.570  269.376   15.162 13.84717 26.36586 
1 1 1  -47    5   17 o  262.599   12.146 28690.15  2589.76 24310.33  4642.51 30668.78  3120.38  231.852   25.059  269.917   14.289 -38.06503 28.84666 
1 1 1  -47    5   18 o   47.620   9.8712  973.534  369.145  831.384  391.090  2134.63  1117.73   43.831   11.005   68.646   19.266 -24.81452 22.18772 
1 1 1  -47    5   19 o  135.364   8.4585  7616.39  925.026  6740.57  1062.54 10358.21  1880.01  126.539   10.435  154.187   15.215 -27.64822 18.44935 
1 1 1  -47    5   20 o  141.525   9.4556  8424.21  1080.33  8842.30  1250.52  7194.16  2144.96  144.287   10.751  121.470   22.579 22.81641 25.00762 
1 1 1  -47    5   21 o  131.461   9.5909  7344.27  1016.69  7250.23  1124.28  7766.23  2381.53  129.873   10.758  121.057   25.054 8.815300 27.26637 
1 1 1  -47    5   22 f   67.289   10.801  2004.08  570.141  1762.37  593.401  4907.24  2056.56   62.349   12.158   90.145   26.402 -27.79524 29.06728 
1 1 1  -47    5   23 o   67.788   8.1405  1988.39  439.105  2498.90  563.331  1197.94  700.966   75.351   9.4127   49.029   15.625 26.32167 18.24105 
1 1 1  -47    5   24 o   33.851   10.421  532.776  314.550  536.896  397.240  525.850  515.040   34.171   11.792   34.789   13.214 -0.6173248 17.71009 
1 1 1  -47    5   25 o   32.124   10.427  499.747  311.098  322.511  391.473  803.506  512.498   28.558   11.329   38.665   13.390 -10.10720 17.53989 
1 1 1  -47    7    1 o  326.222   25.997 44012.51  6828.94   0.0000   0.0000 44012.51  6828.94  ?   ?   326.222   25.997 0.000000 25.99693 
1 1 1  -47    7    2 o   40.926   15.328  506.613  687.504   0.0000   0.0000  506.613  687.504  ?   ?    40.926   15.328 0.000000 15.32777 
1 1 1  -47    7    3 o  342.765   25.002 48537.04  6910.30 48537.04  6910.30   0.0000   0.0000  342.765   25.002  ?   ?  0.000000 25.00160 
1 1 1  -47    7    4 o  601.453   42.972 153229.30 20847.80 153229.30 20847.80   0.0000   0.0000  601.453   42.972  ?   ?  0.000000 42.97242 
1 1 1  -47    7    5 o   38.296   11.747  596.830  400.052  596.830  400.052   0.0000   0.0000   38.296   11.747  ?   ?  0.000000 11.74654 
1 1 1  -47    7    6 o  372.753   18.812 57028.29  5675.38 55681.88  8113.48 58318.29  7941.68  366.065   27.498  375.055   26.244 -8.989319 38.01118 
1 1 1  -47    7    7 f  330.506   13.877 44569.75  3723.93 38397.64  6574.51 47485.36  4518.68  303.550   26.955  340.818   16.329 -37.26788 31.51495 
1 1 1  -47    7    8 o  678.886   33.349 193084.09 18383.13   0.0000   0.0000 193084.09 18383.13  ?   ?   678.886   33.349 0.000000 33.34910 
1 1 1  -47    7    9 o  421.111   16.624 72632.16  5684.35 82396.24  9968.86 67927.93  6919.49  444.244   27.776  405.642   21.081 38.60254 34.87011 
1 1 1  -47    7   10 o   32.662   8.6951  449.477  234.681 -487.9845  732.763  556.625  247.730   29.805   13.609   36.255   8.5535 -6.450006 16.07346 
1 1 1  -47    7   11 o  292.247   12.301 34892.02  2919.07 36679.57  5184.02 34062.10  3532.29  296.962   21.649  287.897   15.164 9.065277 26.43124 
1 1 1  -47    7   12 o   92.770   7.3974  3525.32  552.591  2125.67  1218.82  3887.47  619.971   70.787   20.207   97.390   7.9084 -26.60295 21.69961 
1 1 1  -47    7   13 o  118.432   7.8226  5738.69  748.011  6244.37  1542.83  5583.29  855.253  122.166   15.933  116.650   9.1017 5.515297 18.34931 
1 1 1  -47    7   14 o  245.587   10.817 24684.73  2157.01 30982.38  3908.75 21927.13  2586.51  272.747   17.746  230.462   13.887 42.28552 22.53401 
1 1 1  -47    7   15 o  129.827   8.3336  6914.78  873.846  6463.68  1685.68  7080.56  1021.87  123.378   17.303  131.148   9.6642 -7.769920 19.81857 
1 1 1  -47    7   16 o   49.942   11.731  1071.49  467.616  907.560  1219.97  1099.72  506.284   53.288   20.314   50.547   12.424 2.741123 23.81182 
1 1 1  -47    7   17 o   88.808   9.8668  3296.38  699.459  687.317  1342.50  4268.51  819.472   51.855   20.842  101.124   10.116 -49.26887 23.16701 
1 1 1  -47    7   18 o  124.793   9.4262  6488.31  948.096  5371.62  1886.33  6865.77  1096.69  107.395   22.359  127.947   10.653 -20.55203 24.76704 
1 1 1  -47    7   19 o   69.063   10.814  2046.12  586.542  3575.69  1299.76  1654.98  657.273   88.028   18.758   61.104   13.598 26.92421 23.16844 
1 1 1  -47    7   20 o  103.167   10.201  4527.70  843.307  2520.97  1865.14  5043.35  945.469   71.009   25.463  108.607   10.867 -37.59857 27.68460 
1 1 1  -47    7   21 o   47.639   13.207  1031.26  528.623 -1589.8710  1378.30  1483.32  572.395   34.403   16.580   57.312   12.640 -22.90871 20.84846 
1 1 1  -47    7   22 o  ?   ?  -1773.1400  309.005 -3739.6121  1593.37 -1696.2910  314.985   29.917   15.015  ?   ?  0.000000 15.01472 
1 1 1  -47    7   23 f   77.083   14.256  2880.78  859.390  1343.40  1858.87  3298.70  969.185   52.219   22.894   81.759   15.157 -29.54019 27.45715 
1 1 1  -47    7   24 o   82.421   15.306  3570.83  986.630   0.0000   0.0000  3570.83  986.630  ?   ?    82.421   15.306 0.000000 15.30620 
1 1 1  -47    9    1 o  388.042   29.940 62573.48  9360.50   0.0000   0.0000 62573.48  9360.50  ?   ?   388.042   29.940 0.000000 29.94002 
1 1 1  -47    9    2 o   76.146   17.726  2463.75  1075.48   0.0000   0.0000  2463.75  1075.48  ?   ?    76.146   17.726 0.000000 17.72646 
1 1 1  -47    9    3 o  682.301   36.450 194853.50 20120.35 219898.00 28138.52 168651.80 28781.31  716.708   48.641  620.718   57.769 95.98975 75.51910 
1 1 1  -47    9    4 o  602.623   43.351 154325.30 21070.15 154325.30 21070.15   0.0000   0.0000  602.623   43.351  ?   ?  0.000000 43.35056 
1 1 1  -47    9    5 o  528.950   26.953 115837.70 11537.85 104383.00 16414.06 127025.40 16221.60  495.661   41.157  549.579   36.560 -53.91840 55.05019 
1 1 1  -47    9    6 o  136.404   9.0273  7602.50  994.174  7339.19  1481.26  7818.35  1341.12  133.414   13.877  137.991   12.091 -4.577240 18.40576 
1 1 1  -47    9    7 o  441.137   22.790 80354.37  8135.26 67669.19 11576.01 92733.01 11435.28  399.626   36.064  471.142   30.049 -71.51584 46.94173 
1 1 1  -47    9    8 o  352.655   17.289 50955.16  4950.75   0.0000   0.0000 50955.16  4950.75  ?   ?   352.655   17.289 0.000000 17.28949 
1 1 1  -47    9    9 o  300.414   12.792 36845.92  3120.20 35164.77  5540.55 37626.71  3775.89  290.604   23.687  302.817   15.408 -12.21252 28.25711 
1 1 1  -47    9   10 o  181.037   8.6356 13344.52  1269.40 15571.20  2397.41 12477.03  1496.38  194.370   15.315  174.608   10.605 19.76141 18.62790 
1 1 1  -47    9   11 o  441.214   17.538 80114.85  6282.94 88526.30 11025.61 76069.91  7645.81  457.112   29.870  427.709   22.091 29.40283 37.15169 
1 1 1  -47    9   12 f  245.597   10.710 24632.68  2135.72 29199.25  3896.44 22671.50  2553.48  265.340   18.195  234.848   13.447 30.49225 22.62479 
1 1 1  -47    9   13 o  142.811   8.1823  8340.92  944.851 10819.83  1899.95  7526.43  1089.07  161.558   14.643  135.384   9.9775 26.17368 17.71890 
1 1 1  -47    9   14 f  321.129   13.777 42486.04  3592.22 40273.00  6373.51 43516.33  4348.75  306.146   25.882  323.536   16.610 -17.39053 30.75350 
1 1 1  -47    9   15 o  166.356   9.0301 11366.44  1215.18 12892.67  2376.32 10826.02  1414.05  174.775   16.959  161.933   10.817 12.84201 20.11451 
1 1 1  -47    9   16 o  229.493   10.790 21757.43  2010.62 23905.00  3714.13 20867.19  2391.31  235.245   19.624  223.417   13.241 11.82756 23.67306 
1 1 1  -47    9   17 o  135.576   9.0803  7617.42  993.809  5831.89  2031.06  8179.48  1139.54  112.468   23.016  140.186   10.079 -27.71767 25.12626 
1 1 1  -47    9   18 f   22.652   10.250 -208.1159  404.275  209.834  1260.28 -256.0565  426.831   45.477   19.386   22.828   10.408 22.64977 22.00355 
1 1 1  -47    9   19 f  125.330   9.6095  6599.26  970.446  7977.85  2073.80  6212.73  1098.10  131.043   20.134  120.796   11.328 10.24706 23.10210 
1 1 1  -47    9   20 o   63.414   12.449  1784.39  618.135  440.552  1665.47  1999.08  665.682   50.791   21.976   67.114   12.680 -16.32301 25.37163 
1 1 1  -47    9   21 o   47.899   14.009  1053.98  579.384  3683.99  1487.73  583.787  629.047   84.084   21.658   39.135   14.661 44.94849 26.15380 
1 1 1  -47    9   22 o   27.960   12.060   43.639  498.422  2439.41  1512.09 -248.3956  527.927   64.929   22.964   25.242   11.535 39.68699 25.69837 
1 1 1  -47    9   23 o   49.694   15.671  1274.61  706.548  1185.55  2179.50  1285.07  746.883   51.054   23.371   49.658   16.158 1.396740 28.41268 
1 1 1  -47    9   24 o   31.862   13.654  278.143  631.100   0.0000   0.0000  278.143  631.100  ?   ?    31.862   13.654 0.000000 13.65371 
1 1 1  -47   11    3 o  387.592   20.847 61777.22  6536.76 56028.22  9555.11 66834.77  8962.10  365.696   32.519  401.286   27.675 -35.59015 42.70062 
1 1 1  -47   11    4 o  258.889   14.747 27442.19  3087.06 23544.83  4557.51 30746.31  4196.34  238.022   23.905  273.347   19.025 -35.32475 30.55148 
1 1 1  -47   11    5 o  261.064   14.377 27901.04  3035.76 25980.64  4423.53 29610.72  4173.78  250.482   21.972  268.098   19.302 -17.61681 29.24626 
1 1 1  -47   11    6 o  345.922   18.907 49208.02  5290.36 37053.43  7584.47 60725.45  7383.00  296.311   32.034  383.008   23.859 -86.69772 39.94246 
1 1 1  -47   11    7 o  154.674   10.521  9790.29  1313.45  6847.98  1945.04 12256.67  1780.80  127.757   19.357  172.857   12.778 -45.10000 23.19408 
1 1 1  -47   11    8 o  117.003   12.544  5650.32  1173.11   0.0000   0.0000  5650.32  1173.11  ?   ?   117.003   12.544 0.000000 12.54372 
1 1 1  -47   11    9 o  126.928   7.6802  6579.12  787.810  3117.86  1596.90  7692.50  905.697   85.311   22.668  137.237   8.1646 -51.92656 24.09312 
1 1 1  -47   11   10 o  181.146   8.8008 13365.88  1294.46 13193.58  2460.96 13431.79  1522.02  178.355   17.207  181.182   10.389 -2.826477 20.10015 
1 1 1  -47   11   11 o  332.253   12.822 45175.52  3459.08 58891.16  6194.92 38961.96  4169.64  376.581   20.335  307.254   16.777 69.32687 26.36259 
1 1 1  -47   11   12 o  208.448   9.5202 17730.75  1611.32 21787.85  3019.19 16114.97  1905.35  229.385   16.317  198.091   11.901 31.29379 20.19580 
1 1 1  -47   11   13 o  239.719   10.921 23523.70  2125.72 22859.94  3907.37 23802.74  2533.43  232.932   20.881  240.378   13.029 -7.445480 24.61225 
1 1 1  -47   11   14 o   74.645   8.9128  2310.34  529.516  2843.03  1318.33  2207.88  578.207   80.644   20.182   72.737   10.059 7.906662 22.54974 
1 1 1  -47   11   15 o  219.436   10.583 19830.93  1885.54 19486.19  3526.87 19968.89  2231.16  212.456   20.708  219.215   12.588 -6.758652 24.23370 
1 1 1  -47   11   16 o  202.986   10.299 17076.71  1691.88 17197.21  3218.39 17030.69  1988.86  198.046   20.301  201.890   12.190 -3.844452 23.67946 
1 1 1  -47   11   17 o   88.711   9.7710  3298.99  692.138  3743.14  1403.26  3156.19  795.656   90.773   19.612   86.174   11.672 4.598938 22.82215 
1 1 1  -47   11   18 o   90.747   9.7873  3468.24  709.749  3776.25  1722.24  3405.23  778.972   88.236   23.585   89.513   10.946 -1.276985 26.00154 
1 1 1  -47   11   19 o   50.763   13.126  1148.94  545.057 -1429.2230  1582.96  1495.72  580.559   39.107   18.548   58.092   12.665 -18.98516 22.45977 
1 1 1  -47   11   20 o   55.577   13.087  1395.98  580.786  1881.29  1467.76  1305.89  632.401   62.380   22.560   53.406   14.299 8.974052 26.70995 
1 1 1  -47   11   21 f   70.252   12.739  2237.09  699.899  3052.79  1708.50  2072.60  767.231   73.127   24.467   66.519   14.605 6.607254 28.49422 
1 1 1  -47   11   22 o  107.456   13.725  5401.50  1170.18  5830.33  2549.83  5287.08  1317.06   87.169   29.886  103.816   16.149 -16.64697 33.97025 
1 1 1  -47   11   23 o   51.820   17.447  1499.13  868.854  337.522  2395.90  1675.03  932.318   46.707   22.339   54.120   18.074 -7.412994 28.73481 
1 1 1  -47   11   24 o   53.701   18.753  1945.92  1006.15   0.0000   0.0000  1945.92  1006.15  ?   ?    53.701   18.753 0.000000 18.75273 
1 1 1  -47   13    1 o   35.300   16.258 -835.0775  1076.96   0.0000   0.0000 -835.0775  1076.96  ?   ?    35.300   16.258 0.000000 16.25787 
1 1 1  -47   13    2 o  403.082   31.865 68005.93 10344.02   0.0000   0.0000 68005.93 10344.02  ?   ?   403.082   31.865 0.000000 31.86498 
1 1 1  -47   13    3 f  314.707   18.350 40691.43  4668.56 22529.73  8299.81 49097.25  5646.50  225.609   46.840  345.368   20.224 -119.7591 51.01976 
1 1 1  -47   13    4 o   70.379   9.5498  2052.62  531.635   84.716  943.609  2967.79  643.486   40.381   16.973   84.870   9.5009 -44.48836 19.45087 
1 1 1  -47   13    5 o  156.969   11.674 10097.38  1477.25  5256.47  2291.73 13538.80  1932.27  110.555   25.971  181.688   13.188 -71.13201 29.12751 
1 1 1  -47   13    6 o  221.169   12.840 20027.23  2295.94 20114.00  3404.39 19954.85  3109.52  220.514   19.205  219.968   17.556 0.5461273 26.02042 
1 1 1  -47   13    7 o  314.892   17.156 40775.71  4369.86 36851.61  6323.68 44362.19  6045.53  296.655   26.533  326.895   22.922 -30.23947 35.06289 
1 1 1  -47   13    8 o  354.485   26.177 52588.60  7481.27   0.0000   0.0000 52588.60  7481.27  ?   ?   354.485   26.177 0.000000 26.17715 
1 1 1  -47   13    9 o  267.717   14.845 29454.12  3214.40 29515.08  4695.23 29400.34  4409.87  266.115   21.925  266.002   20.578 0.1131287 30.06863 
1 1 1  -47   13   10 o  136.586   8.0171  7622.90  885.231  6161.36  1871.83  8043.96  1004.68  120.589   19.805  140.222   8.8699 -19.63337 21.70030 
1 1 1  -47   13   11 o  358.795   17.561 53140.66  5115.92 59040.25  7507.83 48026.95  6989.91  374.374   24.840  337.048   25.736 37.32523 35.76773 
1 1 1  -47   13   12 o  109.806   8.0901  4942.44  716.219  4014.70  1771.28  5123.77  783.092   95.942   23.030  111.731   8.7004 -15.78928 24.61829 
1 1 1  -47   13   13 f  166.990   8.9950 11430.64  1215.14 10656.18  2487.37 11673.40  1392.62  158.322   19.781  168.526   10.226 -10.20415 22.26749 
1 1 1  -47   13   14 o  197.310   9.7319 15977.75  1559.14 19228.57  3070.51 14848.36  1809.82  213.060   17.915  189.372   11.829 23.68840 21.46823 
1 1 1  -47   13   15 o  258.650   11.998 27766.40  2519.83 27336.11  4716.54 27938.27  2980.90  248.071   23.704  257.919   14.290 -9.848297 27.67839 
1 1 1  -47   13   16 o   56.531   12.447  1386.43  555.878  218.383  1563.13  1555.54  594.757   50.377   21.535   59.904   12.626 -9.526730 24.96351 
1 1 1  -47   13   17 o  133.704   9.5084  7454.88  1025.53  6181.40  2318.13  7764.77  1143.52  112.671   25.883  136.108   10.426 -23.43739 27.90444 
1 1 1  -47   13   18 f   88.528   10.518  3331.00  741.227  3607.01  1904.58  3281.74  804.667   84.576   25.566   87.441   11.621 -2.864189 28.08356 
1 1 1  -47   13   19 o   50.920   14.131  1169.99  604.833  4584.53  1564.24  569.742  655.844   97.498   20.414   39.804   14.958 57.69403 25.30748 
1 1 1  -47   13   20 o   31.389   13.383   89.859  600.804  1367.42  1937.22 -46.1006  631.965   58.578   24.449   30.438   13.347 28.14009 27.85479 
1 1 1  -47   13   21 o   21.595   10.442 -793.2026  558.039 -1553.0880  1631.82 -692.5684  593.842   37.246   17.973   23.254   11.122 13.99152 21.13573 
1 1 1  -47   13   22 o   40.389   15.877  678.086  762.341  4100.34  2459.64  314.397  801.826   70.321   28.229   36.262   15.461 34.05890 32.18568 
1 1 1  -47   13   23 o   24.754   11.729 -480.5217  629.990  637.342  2663.23 -546.7808  648.391   46.633   22.613   24.670   11.750 21.96247 25.48292 
1 1 1  -47   15    1 o  312.609   26.693 40722.34  6710.50   0.0000   0.0000 40722.34  6710.50  ?   ?   312.609   26.693 0.000000 26.69303 
1 1 1  -47   15    2 o  220.438   22.888 20222.92  4037.03   0.0000   0.0000 20222.92  4037.03  ?   ?   220.438   22.888 0.000000 22.88844 
1 1 1  -47   15    3 o  167.497   9.9360 11462.65  1345.28 13420.09  2609.71 10754.26  1569.95  180.074   18.093  161.973   12.023 18.10060 21.72380 
1 1 1  -47   15    4 o  256.795   13.928 27009.53  2893.28 22907.81  5143.80 28907.83  3499.32  233.287   27.696  265.267   16.326 -31.97975 32.15005 
1 1 1  -47   15    5 o   71.444   9.9193  2118.41  559.898  3220.89  991.156  1601.73  678.530   87.644   14.430   61.409   13.928 26.23430 20.05562 
1 1 1  -47   15    6 f  589.831   32.131 146775.30 15330.20 123155.60 21940.37 169306.91 21429.02  524.232   52.240  624.989   42.479 -100.7568 67.33154 
1 1 1  -47   15    7 o  101.053   10.534  4208.15  851.596  3334.59  1459.45  4659.12  1048.62   88.172   20.734  106.103   12.406 -17.93057 24.16183 
1 1 1  -47   15    8 o  429.604   22.556 76742.82  7840.54 73327.03 11284.02 79931.40 10902.24  413.841   33.878  433.882   31.153 -20.04086 46.02438 
1 1 1  -47   15    9 o   68.905   11.617  1992.24  626.861  1863.51  1099.93  2054.16  762.877   66.464   19.264   69.594   13.986 -3.129654 23.80520 
1 1 1  -47   15   10 o  225.765   10.074 20806.77  1846.70 24699.63  3609.41 19426.39  2149.32  243.783   18.370  217.533   12.218 26.24971 22.06166 
1 1 1  -47   15   11 o  123.093   9.9192  6229.90  982.990  4585.02  1872.93  6855.25  1154.83  102.612   23.043  128.959   11.138 -26.34763 25.59385 
1 1 1  -47   15   12 f  386.042   16.365 61824.64  5129.72 58077.17  9237.71 63495.41  6168.14  362.615   31.693  388.983   19.592 -26.36841 37.25998 
1 1 1  -47   15   13 o  363.057   15.807 54970.03  4659.65 49045.97  8439.66 57567.71  5588.67  328.640   32.035  369.167   18.705 -40.52676 37.09620 
1 1 1  -47   15   14 o  113.196   8.6461  5287.81  788.665  4693.78  2077.82  5387.79  852.458  101.064   25.361  114.129   9.2793 -13.06425 27.00551 
1 1 1  -47   15   15 o   56.761   11.973  1390.23  534.464  2473.50  1615.45  1257.09  566.358   74.177   23.729   53.763   13.095 20.41429 27.10220 
1 1 1  -47   15   16 o  156.642   9.6871 10210.73  1226.04  9823.32  2734.20 10308.23  1371.67  145.079   24.053  156.916   10.832 -11.83696 26.37977 
1 1 1  -47   15   17 o   27.436   12.024 -86.8176  512.248  752.927  1704.26 -170.2159  537.083   55.275   22.989   27.114   12.077 28.16069 25.96831 
1 1 1  -47   15   18 o   64.847   12.884  1859.32  654.476  2007.44  1719.94  1834.24  707.717   65.978   24.335   63.980   14.011 1.997860 28.08055 
1 1 1  -47   15   19 o   48.128   14.266  1047.73  597.334  901.259  2121.58  1060.34  622.517   57.390   24.817   48.405   14.613 8.985176 28.79961 
1 1 1  -47   15   20 o   31.236   13.456   61.809  619.026 -3250.9919  2237.11  336.494  644.178   39.363   19.422   35.364   14.358 3.998672 24.15277 
1 1 1  -47   15   21 o   45.783   16.473  983.521  781.302  1198.27  2154.54  951.006  838.367   54.248   24.173   45.535   16.951 8.713181 29.52421 
1 1 1  -47   15   22 o   56.426   18.989  1853.12  1029.25  1910.10  2974.55  1845.37  1097.01   54.197   25.623   55.778   19.575 -1.580833 32.24456 
1 1 1  -47   15   23 o   41.582   16.413  946.772  817.917 -686.3156  3219.63  1059.44  845.660   42.654   21.399   43.094   16.784 -0.4404449 27.19578 
1 1 1  -47   17    1 o  376.922   31.116 59801.55  9437.95   0.0000   0.0000 59801.55  9437.95  ?   ?   376.922   31.116 0.000000 31.11627 
1 1 1  -47   17    2 o  108.614   11.533  4863.51  1001.51   0.0000   0.0000  4863.51  1001.51  ?   ?   108.614   11.533 0.000000 11.53258 
1 1 1  -47   17    3 o  160.996   10.626 10608.56  1381.25 10472.92  2762.76 10653.76  1594.88  157.849   22.167  161.123   12.283 -3.273697 25.34262 
1 1 1  -47   17    4 o  191.754   12.074 15063.44  1870.30 11671.45  3480.92 16440.11  2217.59  165.506   26.820  200.102   13.732 -34.59641 30.13125 
1 1 1  -47   17    5 o  295.968   18.484 36156.16  4419.85 26908.28  6687.65 43328.11  5889.40  250.152   33.790  322.839   22.610 -72.68617 40.65672 
1 1 1  -47   17    6 o   98.858   11.164  4037.79  880.448  2522.98  1568.73  4734.38  1063.80   77.491   23.153  106.937   12.487 -29.44633 26.30563 
1 1 1  -47   17    7 o  125.093   14.078  6487.47  1405.10   0.0000   0.0000  6487.47  1405.10  ?   ?   125.093   14.078 0.000000 14.07823 
1 1 1  -47   17    8 o   84.123   12.015  2950.62  797.368  3223.33  1638.96  2866.06  912.659   86.461   22.960   82.489   14.135 3.971680 26.96187 
1 1 1  -47   17    9 o  247.903   15.415 25377.35  3087.58 21772.65  4678.26 28159.20  4109.76  226.018   25.963  259.868   19.622 -33.84998 32.54394 
1 1 1  -47   17   10 o  172.333   12.854 12255.94  1785.75 11817.31  2821.50 12549.06  2306.50  166.866   21.311  173.476   16.577 -6.610199 26.99906 
1 1 1  -47   17   11 o   34.737   9.7105  507.676  284.532  688.049  1166.79  496.272  293.389   50.536   19.706   34.452   9.9386 16.08492 22.07057 
1 1 1  -47   17   12 o  120.899   7.9982  6001.13  780.712  8505.80  1991.14  5546.11  848.669  141.346   17.740  116.012   9.0819 25.33322 19.92961 
1 1 1  -47   17   13 o  155.102   9.5861  9929.56  1201.34  5574.32  2604.40 11106.70  1353.99  108.907   28.953  163.891   10.226 -54.98417 30.70602 
1 1 1  -47   17   14 o  159.551   9.8185 10549.06  1265.82  6735.29  2918.21 11432.94  1404.86  117.398   30.380  165.892   10.484 -48.49388 32.13824 
1 1 1  -47   17   15 o   80.550   9.9069  2727.62  634.295  2925.50  1898.32  2702.75  672.974   79.137   25.761   79.974   10.627 -0.8361816 27.86654 
1 1 1  -47   17   16 o  122.434   9.3910  6261.16  926.464  6471.18  2433.74  6225.56  1001.90  114.188   26.723  121.768   10.228 -7.579605 28.61307 
1 1 1  -47   17   17 o   98.494   10.661  4124.54  838.977  2313.60  2269.52  4411.19  902.938   71.221   27.564  101.700   11.115 -30.47865 29.72059 
1 1 1  -47   17   18 o  134.706   10.504  7730.92  1139.85  6919.40  2888.18  7880.64  1240.55  108.361   31.160  135.461   11.384 -27.10045 33.17480 
1 1 1  -47   17   19 o   41.895   15.553  695.855  704.802 -450.1049  2267.68  818.390  741.526   50.076   23.248   44.214   16.028 5.861683 28.23827 
1 1 1  -47   17   20 o   61.002   17.986  1894.13  951.554  2159.20  2636.34  1854.42  1020.34   62.595   27.358   59.934   18.822 2.660477 33.20784 
1 1 1  -47   17   21 o   55.635   19.343  1729.46  1069.93  989.631  2900.14  1846.02  1151.13   53.271   25.220   56.831   20.043 -3.559685 32.21432 
1 1 1  -47   17   22 o   57.026   19.899  2102.64  1132.85  824.322  3266.42  2277.42  1207.81   48.237   23.736   58.479   20.539 -10.24197 31.38857 
1 1 1  -47   19    1 o  194.113   14.609 15502.98  2285.67   0.0000   0.0000 15502.98  2285.67  ?   ?   194.113   14.609 0.000000 14.60891 
1 1 1  -47   19    2 o  387.148   21.587 62107.72  6759.04   0.0000   0.0000 62107.72  6759.04  ?   ?   387.148   21.587 0.000000 21.58749 
1 1 1  -47   19    3 o  504.242   26.919 106452.70 10981.66   0.0000   0.0000 106452.70 10981.66  ?   ?   504.242   26.919 0.000000 26.91930 
1 1 1  -47   19    4 o  286.033   14.069 33488.84  3267.58 36337.64  6090.31 32337.32  3872.07  294.111   25.763  280.022   17.112 14.08853 30.92794 
1 1 1  -47   19    5 f   80.256   11.813  2686.50  746.744  5312.91  1590.02  1943.28  845.828  112.234   18.060   67.484   15.727 44.74981 23.94835 
1 1 1  -47   19    6 o  183.591   13.052 13864.60  1932.95 15133.86  3280.78 13189.74  2392.25  189.777   21.680  178.290   16.720 11.48689 27.37859 
1 1 1  -47   19    7 o  152.692   12.811  9614.67  1573.66  7746.53  2717.20 10557.51  1930.34  133.639   25.977  159.600   15.074 -25.96100 30.03371 
1 1 1  -47   19    8 o  130.971   12.377  7090.80  1300.57  6648.56  2331.12  7290.66  1567.14  123.840   24.050  132.312   14.843 -8.472092 28.26139 
1 1 1  -47   19    9 o  295.681   16.809 36343.63  4018.84 39109.08  6121.83 34249.21  5327.58  302.490   25.153  283.967   23.312 18.52222 34.29435 
1 1 1  -47   19   10 o  326.103   29.261 46844.33  7665.47 46844.33  7665.47   0.0000   0.0000  326.103   29.261  ?   ?  0.000000 29.26120 
1 1 1  -47   19   11 o  148.579   8.8984  9075.97  1068.57  7095.99  2599.37  9478.62  1172.20  125.280   26.387  151.705   9.5652 -26.42551 28.06708 
1 1 1  -47   19   12 o  125.635   8.6996  6508.05  881.992  6006.72  2298.71  6594.60  955.093  114.530   25.386  126.314   9.3792 -11.78462 27.06286 
1 1 1  -47   19   13 o  111.919   8.3623  5175.60  754.429  6250.90  2128.62  5021.13  806.801  117.043   23.218  110.047   9.1112 6.995667 24.94182 
1 1 1  -47   19   14 o  379.597   17.602 62343.21  5425.20 52442.68 10074.52 66386.90  6438.48  307.935   41.337  386.994   20.564 -79.05902 46.16901 
1 1 1  -47   19   15 o   23.161   10.554 -258.4638  437.981 -1790.7380  1635.16 -140.0340  454.592   38.922   18.571   25.122   11.154 13.80096 21.66310 
1 1 1  -47   19   16 f  193.716   11.064 15855.19  1733.07 13301.85  3865.10 16497.74  1938.91  157.777   31.275  196.795   12.194 -39.01848 33.56855 
1 1 1  -47   19   17 o   34.546   13.118  396.409  507.497 -1486.3311  2117.74  511.118  522.729   45.641   21.591   36.942   13.448 8.698891 25.43601 
1 1 1  -47   19   18 o   61.296   13.466  1707.99  651.872  3513.49  2480.79  1574.08  675.613   77.148   29.073   58.448   14.343 18.70013 32.41831 
1 1 1  -47   19   19 o  107.843   11.946  5167.73  1028.51  1044.44  3191.89  5645.46  1086.46   60.114   27.793  112.666   12.064 -52.55219 30.29846 
1 1 1  -47   19   20 o   57.761   20.178  1849.27  1164.92  2865.39  3067.45  1678.02  1259.27   62.889   28.366   55.352   20.742 7.537350 35.14038 
1 1 1  -47   19   21 o   43.872   18.356  894.730  1095.88 -2284.7610  3287.19  1292.29  1162.38   43.778   21.913   48.217   19.388 -4.439724 29.25905 
1 1 1  -47   19   22 o   43.500   18.488  1138.36  1140.02 -2527.2019  3102.85  1710.40  1225.75   38.888   19.692   48.948   19.830 -10.05939 27.94594 
1 1 1  -47   21    1 o  422.625   23.056 74495.59  7881.95   0.0000   0.0000 74495.59  7881.95  ?   ?   422.625   23.056 0.000000 23.05597 
1 1 1  -47   21    2 f  313.526   19.052 40735.24  4827.12   0.0000   0.0000 40735.24  4827.12  ?   ?   313.526   19.052 0.000000 19.05197 
1 1 1  -47   21    3 o   52.402   15.419  1146.44  699.963   0.0000   0.0000  1146.44  699.963  ?   ?    52.402   15.419 0.000000 15.41896 
1 1 1  -47   21    4 o  190.622   13.533 14967.52  2081.01  9914.27  4228.88 16582.21  2390.48  148.641   35.523  200.417   14.794 -51.77620 38.48037 
1 1 1  -47   21    5 f  209.923   15.411 18228.65  2608.53 15080.33  4536.24 19784.05  3188.43  185.472   31.231  217.972   18.181 -32.50032 36.13790 
1 1 1  -47   21    6 o  157.059   12.589 10179.52  1591.91  8349.80  3224.15 10769.38  1830.60  137.177   29.799  161.245   14.124 -24.06854 32.97700 
1 1 1  -47   21    7 o  368.399   22.314 57314.60  6643.40 48686.84 10077.55 63945.89  8834.97  327.133   38.689  384.612   28.493 -57.47900 48.04892 
1 1 1  -47   21    8 o  311.905   19.148 40906.66  4825.79 36943.44  7458.56 43760.45  6329.09  287.250   32.553  319.118   24.616 -31.86832 40.81251 
1 1 1  -47   21    9 o   57.613   16.943  1414.62  845.357  894.829  1851.74  1551.47  950.146   60.915   24.479   60.336   18.017 0.5788956 30.39506 
1 1 1  -47   21   10 o  144.699   13.366  8763.02  1552.64 10175.79  2735.93  8091.88  1885.71  151.964   22.883  137.634   17.253 14.33034 28.65791 
1 1 1  -47   21   11 o   30.055   13.734 -465.3866  748.443  449.291  1706.00 -683.3925  832.873   54.676   22.892   30.351   14.090 24.32529 26.88120 
1 1 1  -47   21   12 o   69.121   8.7997  1997.13  482.679  2419.56  2194.35  1975.65  494.797   75.716   27.554   68.675   9.0973 7.041039 29.01667 
1 1 1  -47   21   13 o   87.021   8.7342  3154.26  608.814  8901.93  2676.86  2840.74  625.199  137.882   24.823   82.335   9.5278 55.54703 26.58853 
1 1 1  -47   21   14 o   73.214   9.9331  2268.06  575.250  3839.40  2567.11  2184.98  590.260   87.306   29.984   71.687   10.448 15.61909 31.75220 
1 1 1  -47   21   15 o  163.176   10.145 11185.97  1337.51 15600.36  3499.22 10430.68  1447.42  179.396   24.676  156.833   11.445 22.56253 27.20103 
1 1 1  -47   21   16 o   25.075   11.139 -127.8788  453.922 -3340.5691  2229.38   11.069  463.634   40.637   19.918   27.238   11.688 13.39902 23.09432 
1 1 1  -47   21   17 o   36.782   13.783  489.679  556.077  5403.88  2697.96  271.656  568.279   93.502   30.724   33.377   13.509 60.12537 33.56288 
1 1 1  -47   21   18 o  110.467   11.605  5374.97  1025.39  1951.13  3426.00  5711.85  1074.65   65.286   29.660  113.751   11.807 -48.46438 31.92354 
1 1 1  -47   21   19 o   27.128   13.216 -1319.9120  938.809 -1621.9680  2904.75 -1284.6801  992.051   47.428   23.136   28.297   13.740 19.13132 26.90864 
1 1 1  -47   21   20 o   48.700   19.769  1259.87  1220.81  1053.87  3532.91  1287.80  1300.95   52.780   25.696   49.120   20.226 3.659481 32.70155 
1 1 1  -47   21   21 o   62.707   21.007  2764.79  1259.54  1922.52  4089.34  2853.07  1323.90   48.940   24.489   62.711   21.533 -13.77048 32.60944 
1 1 1  -47   23    1 o  101.431   14.661  4319.87  1172.43   0.0000   0.0000  4319.87  1172.43  ?   ?   101.431   14.661 0.000000 14.66104 
1 1 1  -47   23    2 o  128.844   14.451  6917.08  1485.75   0.0000   0.0000  6917.08  1485.75  ?   ?   128.844   14.451 0.000000 14.45080 
1 1 1  -47   23    3 o  240.488   17.089 24083.10  3315.19   0.0000   0.0000 24083.10  3315.19  ?   ?   240.488   17.089 0.000000 17.08885 
1 1 1  -47   23    4 o   61.770   15.489  1638.52  775.408   67.746  2320.02  1836.05  822.720   60.930   26.146   65.352   15.701 -4.422184 30.49789 
1 1 1  -47   23    5 o  158.819   13.525 10471.04  1727.57  7288.68  3797.27 11301.66  1939.97  125.346   35.628  164.734   14.657 -39.38759 38.52462 
1 1 1  -47   23    6 o   50.552   15.595  1062.36  703.939  4512.90  2136.40  642.118  745.575  100.383   26.002   43.653   16.034 56.73052 30.54872 
1 1 1  -47   23    7 o  175.132   14.517 12818.52  2045.75 12811.99  3902.24 12821.00  2402.35  167.922   29.707  174.154   17.214 -6.231461 34.33395 
1 1 1  -47   23    8 o  177.772   14.889 13270.66  2129.32 11351.38  3936.11 14064.72  2531.77  155.274   32.273  181.997   17.342 -26.72273 36.63761 
1 1 1  -47   23    9 o  145.415   29.327  9892.06  3343.20  9892.06  3343.20   0.0000   0.0000  145.415   29.327  ?   ?  0.000000 29.32688 
1 1 1  -47   23   10 o  243.346   17.084 25311.86  3354.24 24062.90  5569.65 26022.64  4201.63  224.640   31.393  243.273   21.492 -18.63368 38.04506 
1 1 1  -47   23   11 o  238.198   16.757 24374.78  3220.31 25096.66  5429.98 23983.13  3999.61  228.769   29.952  232.284   21.448 -3.514603 36.83924 
1 1 1  -47   23   12 o  168.075   9.9094 11757.71  1346.36 12917.30  3656.68 11575.86  1448.09  162.799   28.712  166.395   10.776 -3.596680 30.66782 
1 1 1  -47   23   13 o   92.338   8.8554  3562.51  655.792  5155.46  2763.10  3467.43  675.081   98.949   30.958   90.964   9.2696 7.985680 32.31556 
1 1 1  -47   23   14 o   67.781   10.305  1964.97  549.264  5588.05  3008.81  1840.07  558.651   99.622   32.432   65.354   10.912 34.26835 34.21860 
1 1 1  -47   23   15 o   37.247   12.635  566.131  455.697  3068.24  2997.52  506.935  461.056   77.156   31.096   36.026   12.687 41.13029 33.58482 
1 1 1  -47   23   16 o   83.311   10.847  3006.60  716.349  5967.24  3476.63  2875.33  732.057   92.822   34.526   81.175   11.423 11.64729 36.36691 
1 1 1  -47   23   17 o   59.665   21.168  1804.26  1285.80  1485.42  3564.62  1851.95  1378.61   64.103   29.544   60.261   21.853 3.841713 36.74785 
1 1 1  -47   23   18 o   66.536   22.226  2552.85  1409.86  596.226  3936.11  2840.83  1510.06   58.127   28.015   69.365   22.995 -11.23748 36.24357 
1 1 1  -47   23   19 o   26.027   12.634 -1053.5811  837.536 -2339.5730  3927.88 -992.3270  857.250   47.795   23.928   26.737   12.932 21.05770 27.19919 
1 1 1  -47   23   20 o   28.643   13.771 -750.7573  937.339 -55.5050  3579.31 -801.9481  971.233   46.351   23.151   28.898   13.925 17.45303 27.01584 
1 1 1  -47   25    1 o  243.586   18.092 24991.30  3552.79   0.0000   0.0000 24991.30  3552.79  ?   ?   243.586   18.092 0.000000 18.09216 
1 1 1  -47   25    2 o  228.433   17.583 21966.51  3236.20   0.0000   0.0000 21966.51  3236.20  ?   ?   228.433   17.583 0.000000 17.58280 
1 1 1  -47   25    3 o  257.696   18.489 28066.47  3843.00   0.0000   0.0000 28066.47  3843.00  ?   ?   257.696   18.489 0.000000 18.48931 
1 1 1  -47   25    4 o  261.085   19.049 28943.20  4010.40   0.0000   0.0000 28943.20  4010.40  ?   ?   261.085   19.049 0.000000 19.04915 
1 1 1  -47   25    5 o   46.038   15.408  840.468  677.594 -2754.3030  2548.05  1114.02  702.903   49.314   23.431   51.372   15.532 -2.057796 28.11144 
1 1 1  -47   25    6 o   47.688   16.395  884.613  767.602 -492.9778  2599.97  1016.16  803.415   59.739   26.592   50.255   16.778 9.483734 31.44253 
1 1 1  -47   25    7 o   58.275   16.545  1473.55  819.349 -133.3090  2461.29  1673.81  868.907   59.862   26.292   61.891   16.841 -2.029457 31.22348 
1 1 1  -47   25    8 o   78.706   30.795  2286.73  2856.77  2286.73  2856.77   0.0000   0.0000   78.706   30.795  ?   ?  0.000000 30.79490 
1 1 1  -47   25    9 o  103.435   15.550  4622.38  1265.59  8528.92  2916.24  3715.90  1404.78  134.028   27.712   90.998   19.592 43.03030 33.93848 
1 1 1  -47   25   10 o  109.716   16.071  5239.15  1389.23  490.079  3269.71  6285.33  1534.64   69.115   30.331  120.321   16.113 -51.20596 34.34556 
1 1 1  -47   25   11 o   55.642   19.225  1293.32  1056.13 -1118.7140  3011.36  1631.61  1127.77   58.751   27.104   60.883   19.857 -2.131905 33.60000 
1 1 1  -47   25   12 o   50.179   10.350  1088.26  407.681 -1319.2780  2741.40  1142.71  412.265   54.558   25.407   51.477   10.224 3.080727 27.38652 
1 1 1  -47   25   13 f   21.710   9.4627 -46.2943  313.465 -1280.1281  3187.13 -34.2424  314.992   57.811   27.076   21.967   9.5306 35.84408 28.70453 
1 1 1  -47   25   14 o   34.469   11.878  473.226  403.027 -11895.0596  2957.29  707.289  406.823  ?   ?    40.228   11.732 0.000000 11.73162 
1 1 1  -47   25   15 o   73.891   10.666  2371.18  621.380  3633.99  3391.40  2327.31  632.080   77.407   32.332   73.049   10.998 4.357735 34.15098 
1 1 1  -47   25   16 o  153.201   19.060 11538.14  2319.68 12025.15  5165.44 11415.11  2596.20  106.650   41.497  147.920   22.309 -41.27013 47.11414 
1 1 1  -47   25   17 o   68.605   22.920  2775.68  1499.34   82.149  4644.72  3089.00  1584.15   58.563   28.714   71.704   23.542 -13.14120 37.13078 
1 1 1  -47   25   18 o   68.606   22.259  2976.25  1417.75  7119.24  5123.56  2632.72  1475.36   67.074   32.234   63.709   22.667 3.364204 39.40621 
1 1 1  -47   25   19 o   45.648   20.011  1113.23  1419.72  905.968  5353.28  1128.91  1472.44   49.829   25.299   45.875   20.236 3.953728 32.39611 
1 1 1  -47   27    1 o  233.149   18.528 23198.52  3478.52   0.0000   0.0000 23198.52  3478.52  ?   ?   233.149   18.528 0.000000 18.52763 
1 1 1  -47   27    2 o  258.114   19.566 28596.94  4070.22   0.0000   0.0000 28596.94  4070.22  ?   ?   258.114   19.566 0.000000 19.56637 
1 1 1  -47   27    3 o  164.839   17.255 11605.59  2275.31   0.0000   0.0000 11605.59  2275.31  ?   ?   164.839   17.255 0.000000 17.25549 
1 1 1  -47   27    4 o  180.758   17.788 14006.56  2576.89   0.0000   0.0000 14006.56  2576.89  ?   ?   180.758   17.788 0.000000 17.78781 
1 1 1  -47   27    5 o  157.894   15.900 10622.70  2010.71 10684.28  5288.75 10612.30  2173.95  139.694   42.687  157.134   17.327 -17.44061 46.06935 
1 1 1  -47   27    6 o  214.884   16.574 19735.01  2869.49 20325.00  6442.68 19589.01  3204.93  194.179   42.078  212.612   18.757 -18.43303 46.06928 
1 1 1  -47   27    7 o   44.790   21.426 -2528.6040  2206.22 -1211.9950  2806.35 -4658.9570  3569.76   57.389   26.362   53.868   26.135 3.520226 37.12084 
1 1 1  -47   27    8 o  142.337   16.514  8786.42  1873.07  3421.05  4749.10  9774.78  2038.31   91.431   38.231  149.907   17.049 -58.47604 41.86005 
1 1 1  -47   27    9 f  186.174   18.348 15279.72  2737.59  7799.94  5766.23 17456.23  3110.49  112.316   43.805  198.005   19.605 -85.68915 47.99164 
1 1 1  -47   27   10 f   59.329   19.761  1545.31  1114.67 -1820.4220  3252.66  1993.18  1186.51   57.797   27.160   65.995   20.227 -8.198318 33.86463 
1 1 1  -47   27   11 o   67.727   19.670  2138.32  1145.79  602.069  3725.74  2298.79  1204.14   69.614   31.343   70.001   20.117 -0.3863602 37.24403 
1 1 1  -47   27   12 o   67.874   21.097  2206.19  1285.59   39.159  3342.81  2582.33  1392.70   63.441   29.005   72.815   21.829 -9.374226 36.30130 
1 1 1  -47   27   13 o   32.718   11.204  427.714  358.368  1977.71  3605.44  412.248  360.151   71.253   31.535   32.365   11.224 38.88804 33.47331 
1 1 1  -47   27   14 o   36.905   11.435  591.902  378.023  132.212  3770.11  596.571  379.938   62.190   29.229   37.036   11.462 25.15402 31.39647 
1 1 1  -47   27   15 o   85.603   22.855  4029.81  1618.39 -1664.6160  5050.64  4681.41  1708.48   59.633   29.376   92.611   22.859 -32.97793 37.22218 
1 1 1  -47   27   16 o   41.085   18.522   74.157  1306.02  5210.07  5017.04 -299.1793  1352.66   69.601   33.014   39.193   18.111 30.40788 37.65533 
1 1 1  -47   27   17 o   46.504   19.497  1003.25  1240.08  2790.89  4815.83  876.303  1283.36   57.884   28.548   45.566   19.497 12.31806 34.57018 
1 1 1  -47   27   18 o   43.251   19.482  783.861  1441.06  3090.24  5240.35  595.181  1498.85   52.010   26.248   42.310   19.373 9.700249 32.62290 
1 1 1  -47   29    1 o  136.215   19.487  8150.51  2093.89   0.0000   0.0000  8150.51  2093.89  ?   ?   136.215   19.487 0.000000 19.48708 
1 1 1  -47   29    2 o   80.210   21.653  2925.58  1443.05   0.0000   0.0000  2925.58  1443.05  ?   ?    80.210   21.653 0.000000 21.65256 
1 1 1  -47   29    3 o   75.166   21.629  2561.75  1391.15   0.0000   0.0000  2561.75  1391.15  ?   ?    75.166   21.629 0.000000 21.62929 
1 1 1  -47   29    4 o   78.905   20.935  2838.24  1363.39   0.0000   0.0000  2838.24  1363.39  ?   ?    78.905   20.935 0.000000 20.93489 
1 1 1  -47   29    5 o  221.842   49.282 30232.17  8646.26   0.0000   0.0000 30232.17  8646.26  ?   ?   221.842   49.282 0.000000 49.28167 
1 1 1  -47   29    6 o   41.517   17.298  257.555  967.418  1372.13  4043.99  189.898  996.347   77.945   33.981   41.297   17.403 36.64809 38.17820 
1 1 1  -47   29    7 o   74.277   20.058  2541.53  1238.05  5047.36  4382.66  2324.22  1290.62   97.229   38.115   71.029   20.948 26.20004 43.49192 
1 1 1  -47   29    8 o  116.442   17.671  6057.76  1618.29  2524.98  4861.05  6498.10  1716.19   84.191   36.964  120.401   18.116 -36.20988 41.16501 
1 1 1  -47   29    9 o  156.616   17.418 10945.41  2177.48 10284.56  5823.72 11052.81  2347.76  118.343   44.554  156.186   18.897 -37.84281 48.39625 
1 1 1  -47   29   10 o   23.380   11.593 -1855.5150  832.927  357.718  3461.78 -1991.5160  858.137   65.822   29.869   23.398   11.629 42.42397 32.05288 
1 1 1  -47   29   11 f  156.237   18.973 11366.79  2357.53 11689.22  6399.57 11316.17  2535.88  111.928   45.322  153.967   20.818 -42.03952 49.87434 
1 1 1  -47   29   12 o  157.449   19.966 11936.15  2495.11  5397.84  5816.11 13410.88  2762.21   84.205   38.405  165.618   21.013 -81.41367 43.77766 
1 1 1  -47   29   13 o  128.066   20.067  8149.27  2018.09 10683.91  5315.42  7722.38  2181.42  100.870   41.133  121.261   22.997 -20.39095 47.12521 
1 1 1  -47   29   14 f   60.321   22.366  1969.97  1456.68  2813.17  5469.72  1905.60  1511.26   67.449   32.634   59.594   22.635 7.855831 39.71558 
1 1 1  -47   29   15 o   60.567   22.997  2226.91  1559.62 -392.8356  5502.87  2455.73  1626.31   57.074   28.536   62.676   23.555 -5.601871 37.00188 
1 1 1  -47   29   16 o   39.911   17.921  300.231  1208.46  2190.93  5591.51  207.589  1237.72   55.532   27.906   39.512   17.902 16.02005 33.15426 
1 1 1  -47   31    1 o   93.846   24.576  4198.43  1894.86   0.0000   0.0000  4198.43  1894.86  ?   ?    93.846   24.576 0.000000 24.57607 
1 1 1  -47   31    2 o  224.733   21.121 22729.74  3808.85   0.0000   0.0000 22729.74  3808.85  ?   ?   224.733   21.121 0.000000 21.12100 
1 1 1  -47   31    3 o   65.697   30.330 -1018.3720  3780.50   0.0000   0.0000 -1018.3720  3780.50  ?   ?    65.697   30.330 0.000000 30.32968 
1 1 1  -47   31    4 o   99.331   41.262  5479.99  5480.62   0.0000   0.0000  5479.99  5480.62  ?   ?    99.331   41.262 0.000000 41.26202 
1 1 1  -47   31    5 o   80.451   22.380  3080.05  1515.21   0.0000   0.0000  3080.05  1515.21  ?   ?    80.451   22.380 0.000000 22.37975 
1 1 1  -47   31    6 o   70.225   21.593  2320.00  1350.90 -3815.1680  6121.56  2634.07  1385.05   70.706   34.285   74.480   21.625 -3.773766 40.53551 
1 1 1  -47   31    7 o   79.237   20.532  2986.70  1331.78 12457.51  6056.40  2505.48  1365.19  126.823   45.833   72.341   21.595 54.48186 50.66583 
1 1 1  -47   31    8 o   45.933   18.990  499.297  1153.03 -3661.2681  5626.24  681.699  1178.03   66.163   32.259   48.144   19.462 18.01946 37.67517 
1 1 1  -47   31    9 o  117.431   19.996  6564.09  1838.28  5805.64  6404.17  6632.19  1919.04   89.213   40.538  117.258   20.923 -28.04533 45.61916 
1 1 1  -47   31   10 o   73.740   22.220  2787.23  1440.30  5200.81  6252.98  2652.00  1480.10   83.619   38.745   71.773   22.687 11.84662 44.89841 
1 1 1  -47   31   11 o   74.103   22.714  2935.08  1496.11 -2405.0779  6428.77  3240.86  1538.35   64.880   32.176   77.760   22.852 -12.88051 39.46516 
1 1 1  -47   31   12 o   32.376   15.532 -1205.4180  1178.32 -7740.1030  6717.96 -998.0010  1196.87   56.489   28.644   33.745   16.041 22.74350 32.82987 
1 1 1  -47   31   13 o   79.007   23.906  3790.68  1664.61  1974.34  6238.11  3929.93  1727.24   63.194   31.400   79.846   24.394 -16.65157 39.76210 
1 1 1  -47   31   14 o   39.313   17.992  -7.0011  1290.90  5762.91  6251.76 -263.9659  1319.33   63.159   31.391   38.028   17.681 25.13120 36.02837 
1 1 1  -47   31   15 o   51.189   22.090  1677.99  1673.99  503.318  6645.01  1757.59  1729.78   51.973   26.549   51.736   22.390 0.2366982 34.73032 
1 1 1  -47   33    1 o   72.733   31.920  1418.23  3621.51   0.0000   0.0000  1418.23  3621.51  ?   ?    72.733   31.920 0.000000 31.92026 
1 1 1  -47   33    2 o  129.300   26.212  8362.44  2657.74   0.0000   0.0000  8362.44  2657.74  ?   ?   129.300   26.212 0.000000 26.21217 
1 1 1  -47   33    3 o  140.464   24.277  9633.79  2668.71   0.0000   0.0000  9633.79  2668.71  ?   ?   140.464   24.277 0.000000 24.27725 
1 1 1  -47   33    4 o   42.339   18.727 -103.1736  1269.49   0.0000   0.0000 -103.1736  1269.49  ?   ?    42.339   18.727 0.000000 18.72684 
1 1 1  -47   33    5 o   99.224   24.448  5000.09  1956.89   0.0000   0.0000  5000.09  1956.89  ?   ?    99.224   24.448 0.000000 24.44784 
1 1 1  -47   33    6 o   73.033   24.287  2718.08  1684.07   0.0000   0.0000  2718.08  1684.07  ?   ?    73.033   24.287 0.000000 24.28747 
1 1 1  -47   33    7 o   62.144   23.028  1825.01  1543.66  3930.96  8352.83  1750.54  1570.71   82.439   39.992   61.425   23.136 21.01373 46.20180 
1 1 1  -47   33    8 o   60.743   20.904  1809.38  1248.03 -325.6609  8954.41  1851.68  1260.33   73.962   36.890   61.302   21.011 12.66039 42.45444 
1 1 1  -47   33    9 o   80.842   24.758  3698.46  1778.01  2346.51  8477.56  3760.67  1818.45   73.205   36.412   81.212   25.066 -8.007309 44.20593 
1 1 1  -47   33   10 o   41.395   18.821 -145.6342  1383.13  4057.66  7525.00 -292.6045  1407.10   70.995   35.137   40.756   18.701 30.23898 39.80429 
1 1 1  -47   33   11 o   47.597   20.224  821.697  1363.48 -76.1704  8288.06  846.673  1382.31   62.492   31.702   47.942   20.367 14.55017 37.68053 
1 1 1  -47   33   12 o   80.389   25.818  4473.14  1911.03 12040.10  9042.83  4119.39  1955.19   67.308   34.028   75.863   26.161 -8.555283 42.92230 
1 1 1  -47   33   13 o   30.241   14.974 -2031.8571  1372.21  1348.39  7490.51 -2149.2371  1395.84   54.413   27.827   30.172   14.968 24.24100 31.59744 
1 1 1  -47   35    1 o  106.198   30.720  6690.09  2799.67   0.0000   0.0000  6690.09  2799.67  ?   ?   106.198   30.720 0.000000 30.72003 
1 1 1  -47   35    2 o  111.231   31.020  7403.33  2907.16   0.0000   0.0000  7403.33  2907.16  ?   ?   111.231   31.020 0.000000 31.01973 
1 1 1  -47   35    3 o   64.258   25.685  1932.96  2026.71   0.0000   0.0000  1932.96  2026.71  ?   ?    64.258   25.685 0.000000 25.68496 
1 1 1  -47   35    4 o   81.540   27.189  3837.95  2109.98   0.0000   0.0000  3837.95  2109.98  ?   ?    81.540   27.189 0.000000 27.18902 
1 1 1  -47   35    5 o   47.028   20.747  258.152  1548.17   0.0000   0.0000  258.152  1548.17  ?   ?    47.028   20.747 0.000000 20.74651 
1 1 1  -47   35    6 o   63.251   24.884  2100.51  1874.15   0.0000   0.0000  2100.51  1874.15  ?   ?    63.251   24.884 0.000000 24.88378 
1 1 1  -47   35    7 o   87.011   27.123  4738.09  2123.14   0.0000   0.0000  4738.09  2123.14  ?   ?    87.011   27.123 0.000000 27.12267 
1 1 1  -47   35    8 o   64.502   24.845  2508.80  1837.06  6153.55 11920.14  2420.13  1859.27   69.004   35.274   63.635   24.859 5.368996 43.15345 
1 1 1  -47   35    9 o   46.406   20.266  666.505  1443.82  4040.38 11538.71  612.839  1455.26   63.934   32.824   46.085   20.230 17.84845 38.55756 
1 1 1  -47   35   10 o   49.255   20.899  1164.96  1452.67 -8403.1465 11497.42  1320.19  1464.40   55.338   28.585   50.619   21.203 4.719151 35.59027 
1 1 1  -47   37    1 o   81.555   31.718  5087.69  3016.61   0.0000   0.0000  5087.69  3016.61  ?   ?    81.555   31.718 0.000000 31.71809 
1 1 1  -47   37    2 o   74.399   29.655  3932.55  2694.21   0.0000   0.0000  3932.55  2694.21  ?   ?    74.399   29.655 0.000000 29.65495 
1 1 1  -47   37    3 o   74.179   29.270  3956.39  2600.18   0.0000   0.0000  3956.39  2600.18  ?   ?    74.179   29.270 0.000000 29.26956 
1 1 1  -47   37    4 o   64.275   26.724  2616.17  2301.90   0.0000   0.0000  2616.17  2301.90  ?   ?    64.275   26.724 0.000000 26.72387 
1 1 1  -47   37    5 o   75.950   28.536  4324.29  2386.64   0.0000   0.0000  4324.29  2386.64  ?   ?    75.950   28.536 0.000000 28.53625 
1 1 1  -47   37    6 f   80.046   29.098  5100.42  2446.31   0.0000   0.0000  5100.42  2446.31  ?   ?    80.046   29.098 0.000000 29.09817 
1 1 1  -46    0    1 o  394.847   30.115 64777.45  9525.80   0.0000   0.0000 64777.45  9525.80  394.847   30.115  394.847   30.115 -0.000000 0.000000 
1 1 1  -46    0    8 o  200.695   16.476 16726.78  2643.25   0.0000   0.0000 16726.78  2643.25  200.695   16.476  200.695   16.476 -0.000000 0.000000 
1 1 1  -46    0    9 o   43.766   19.227  1120.32  714.652   0.0000   0.0000  1120.32  714.652   43.766   19.227   43.766   19.227 -0.000000 0.000000 
1 1 1  -46    0   10 o  553.497   39.547 128661.90 17564.96 128661.90 17564.96   0.0000   0.0000  553.497   39.547  553.497   39.547 0.000000 0.000000 
1 1 1  -46    0   11 o  123.500   8.9736  6296.50  888.935  7662.87  1160.76  4358.65  1382.36  136.043   10.659   98.110   19.545 -0.000000 0.000000 
1 1 1  -46    0   12 o  286.211   14.993 33645.05  3462.44 33028.44  5012.55 34207.74  4788.40  281.575   22.244  287.099   20.792 0.000000 0.000000 
1 1 1  -46    0   13 o  325.412   16.920 43553.29  4443.03 45102.93  6164.99 41878.60  6408.88  329.323   23.324  316.454   25.315 -0.000000 0.000000 
1 1 1  -46    0   14 o  125.907   9.2336  6549.91  932.302  6753.00  1180.20  6212.84  1520.46  127.230   11.649  120.167   16.460 -0.000000 0.000000 
1 1 1  -46    0   15 o   60.333   9.9248  1595.71  446.655  1813.40  524.424  1020.62  852.364   64.082   11.069   41.153   20.702 -0.000000 0.000000 
1 1 1  -46    0   16 o  315.775   16.729 41186.03  4261.84 42798.35  5883.53 39406.06  6181.85  319.592   22.944  305.394   25.331 -0.000000 0.000000 
1 1 1  -46    0   17 o  112.713   9.2991  5282.04  837.719  4659.27  1372.65  5651.66  1057.49  101.926   18.355  115.981   11.488 0.000000 0.000000 
1 1 1  -46    0   18 o   16.745   10.530   55.723  300.301   79.559  309.931 -310.0252  1214.07   17.426   10.844   28.998   19.277 -0.000000 0.000000 
1 1 1  -46    0   19 f   23.964   13.090  331.492  362.768  1027.65  1317.14  274.349  377.363   42.647   24.306   22.741   12.990 0.000000 0.000000 
1 1 1  -46    0   20 o   82.949   10.148  2941.00  656.145  3070.60  701.490  2034.72  1855.08   84.614   10.672   56.237   29.954 -0.000000 0.000000 
1 1 1  -46    0   21 o   17.855   11.870 -123.4413  460.248 -37.9961  476.804 -1290.1200  1761.86   19.229   12.539   30.097   20.858 -0.000000 0.000000 
1 1 1  -46    0   22 o  114.368   11.052  5545.83  1004.34  4712.84  2085.79  5797.26  1145.94   90.376   31.455  116.336   12.496 0.000000 0.000000 
1 1 1  -46    0   23 f   18.468   11.834   31.615  400.738   61.496  408.117 -772.3606  2116.93   19.071   12.110   35.183   23.986 -0.000000 0.000000 
1 1 1  -46    0   24 o   20.756   12.904  139.122  437.796   0.0000   0.0000  139.122  437.796   20.756   12.904   20.756   12.904 0.000000 0.000000 
1 1 1  -46    0   25 o   46.433   16.465  1218.30  565.032   0.0000   0.0000  1218.30  565.032   46.433   16.465   46.433   16.465 0.000000 0.000000 
1 1 1  -46    2    1 o  841.704   60.788 303269.69 41265.13 303269.69 41265.13   0.0000   0.0000  841.704   60.788  ?   ?  0.000000 60.78782 
1 1 1  -46    2    2 o  770.838   54.390 252185.41 33824.02 252185.41 33824.02   0.0000   0.0000  770.838   54.390  ?   ?  0.000000 54.39003 
1 1 1  -46    2    3 o  225.792   16.947 20901.09  3084.40 20901.09  3084.40   0.0000   0.0000  225.792   16.947  ?   ?  0.000000 16.94739 
1 1 1  -46    2    4 o  815.949   58.417 286415.91 38446.72 286415.91 38446.72   0.0000   0.0000  815.949   58.417  ?   ?  0.000000 58.41725 
1 1 1  -46    2    5 o  488.645   34.574 99508.90 13629.01 99508.90 13629.01   0.0000   0.0000  488.645   34.574  ?   ?  0.000000 34.57365 
1 1 1  -46    2    6 o  352.175   17.729 50805.21  5053.55 49544.78  7193.58 52033.37  7100.92  346.051   25.787  354.924   24.796 -8.873901 35.77407 
1 1 1  -46    2    7 o  254.029   18.914 26556.13  3873.30   0.0000   0.0000 26556.13  3873.30  ?   ?   254.029   18.914 0.000000 18.91397 
1 1 1  -46    2    8 o  369.865   26.575 56802.91  7927.75   0.0000   0.0000 56802.91  7927.75  ?   ?   369.865   26.575 0.000000 26.57495 
1 1 1  -46    2    9 o  401.876   28.918 67427.50  9373.10   0.0000   0.0000 67427.50  9373.10  ?   ?   401.876   28.918 0.000000 28.91785 
1 1 1  -46    2   10 o  248.226   12.852 25212.15  2581.39   0.0000   0.0000 25212.15  2581.39  ?   ?   248.226   12.852 0.000000 12.85168 
1 1 1  -46    2   11 o  226.342   17.853 21164.95  3254.38   0.0000   0.0000 21164.95  3254.38  ?   ?   226.342   17.853 0.000000 17.85271 
1 1 1  -46    2   12 o  271.766   14.373 30326.93  3160.36   0.0000   0.0000 30326.93  3160.36  ?   ?   271.766   14.373 0.000000 14.37306 
1 1 1  -46    2   13 o  338.081   14.030 46852.14  3851.45 47968.02  6580.71 46270.77  4749.93  338.147   24.126  334.638   17.542 3.508209 29.82963 
1 1 1  -46    2   14 o  303.586   12.729 37770.40  3137.77 38414.77  5337.95 37430.20  3878.64  302.699   21.865  301.021   15.925 1.678223 27.05024 
1 1 1  -46    2   15 o  401.627   13.803 66402.02  4501.25 69362.55  6367.16 63444.14  6364.31  407.849   19.227  389.046   20.217 18.80222 27.89962 
1 1 1  -46    2   16 o  261.899   9.7565 28115.85  2074.76 27518.74  2927.24 28718.64  2941.13  257.422   14.058  263.090   13.816 -5.667053 19.71082 
1 1 1  -46    2   17 o  108.147   6.2849  4791.74  549.508  4682.04  776.534  4901.77  777.710  106.373   9.0775  108.903   8.8722 -2.529625 12.69319 
1 1 1  -46    2   18 o  206.744   8.2342 17589.46  1382.27 17970.91  1945.21 17200.38  1964.57  207.308   11.603  202.598   11.996 4.709381 16.68904 
1 1 1  -46    2   19 o   84.411   6.7444  2944.70  458.396  2829.94  615.427  3087.72  687.003   82.059   9.4065   85.550   10.084 -3.491035 13.79011 
1 1 1  -46    2   20 o   19.629   8.3382   10.324  231.670 -253.7596  305.211  369.310  355.851   18.396   8.5366   31.399   11.136 -13.00290 14.03187 
1 1 1  -46    2   21 o  102.405   7.3622  4375.33  608.076  4182.21  825.236  4604.73  899.447   98.779   10.448  103.477   10.868 -4.698112 15.07501 
1 1 1  -46    2   22 o   82.944   7.3397  2895.71  489.209  2173.16  656.231  3799.59  733.969   69.681   12.034   93.891   9.7706 -24.21017 15.50073 
1 1 1  -46    2   23 o   43.338   10.223  850.104  353.897  536.878  462.602  1292.09  549.517   35.659   12.692   52.319   12.994 -16.65961 18.16431 
1 1 1  -46    2   24 o   45.768   10.465  976.149  380.455  1189.53  496.596  672.929  591.973   49.492   12.387   38.324   14.249 11.16803 18.88003 
1 1 1  -46    2   25 f   28.511   10.615  345.690  328.780  770.408  422.331 -307.6799  523.820   38.918   12.091   23.311   10.937 15.60736 16.30350 
1 1 1  -46    4    1 o  604.487   24.486 149648.30 12018.53 151346.50 14639.92 146138.30 21047.77  606.661   29.720  590.063   44.253 16.59741 53.30704 
1 1 1  -46    4    2 o  465.810   27.319 89370.65 10287.34 112912.80 14237.37 63652.07 14880.94  521.890   33.779  386.515   48.483 135.3747 59.08983 
1 1 1  -46    4    3 o  536.266   37.815 119960.60 16360.38 119960.60 16360.38   0.0000   0.0000  536.266   37.815  ?   ?  0.000000 37.81523 
1 1 1  -46    4    4 o  897.385   65.394 352661.31 47321.01 352661.31 47321.01   0.0000   0.0000  897.385   65.394  ?   ?  0.000000 65.39369 
1 1 1  -46    4    5 o  560.803   39.830 132198.00 18018.84 132198.00 18018.84   0.0000   0.0000  560.803   39.830  ?   ?  0.000000 39.83012 
1 1 1  -46    4    6 o  263.458   13.755 28370.48  2932.30 28054.47  4227.24 28663.56  4070.96  260.986   20.103  263.999   19.121 -3.013031 27.74411 
1 1 1  -46    4    7 o  141.596   7.0693  8149.27  812.769 10009.87  1567.42  7465.01  950.547  156.245   12.459  135.201   8.7050 21.04385 15.19847 
1 1 1  -46    4    8 o  210.081   11.587 18034.05  1968.84 18776.43  2872.72 17376.47  2703.68  213.650   16.692  205.540   16.335 8.110291 23.35510 
1 1 1  -46    4    9 o  140.249   9.4222  8041.95  1066.76  7465.13  1606.91  8496.46  1426.41  134.350   14.986  143.829   12.333 -9.478134 19.40833 
1 1 1  -46    4   10 o  326.445   16.709 43767.97  4413.99 45525.59  6302.78 42076.20  6183.58  331.089   23.599  318.074   24.122 13.01514 33.74643 
1 1 1  -46    4   11 o  442.314   22.050 80865.42  7919.27 82459.25 11251.32 79300.58 11148.46  441.542   31.592  432.764   31.953 8.777893 44.93330 
1 1 1  -46    4   12 o  372.468   18.934 57334.09  5707.46 60031.39  8117.56 54697.07  8026.34  377.950   26.622  360.205   27.654 17.74512 38.38565 
1 1 1  -46    4   13 o  409.445   20.785 69710.02  6887.58 73068.89  9793.69 66423.13  9688.19  414.468   29.290  394.333   30.495 20.13498 42.28321 
1 1 1  -46    4   14 o  164.461   15.192 11223.42  2005.71   0.0000   0.0000 11223.42  2005.71  ?   ?   164.461   15.192 0.000000 15.19160 
1 1 1  -46    4   15 o  418.850   31.960 77125.62 10787.46   0.0000   0.0000 77125.62 10787.46  ?   ?   418.850   31.960 0.000000 31.96047 
1 1 1  -46    4   16 o  345.851   19.357 50651.28  5414.12 58737.32  7514.56 41923.00  7807.28  367.204   25.359  303.810   32.137 63.39380 40.93702 
1 1 1  -46    4   17 o  149.745   9.8770  9278.75  1194.18  9008.64  1494.82  9755.21  1985.33  146.649   12.678  151.114   16.446 -4.465164 20.76566 
1 1 1  -46    4   18 o  166.635   10.720 11585.94  1442.72 11099.44  1792.31 12481.35  2431.54  161.670   13.785  168.988   17.998 -7.317429 22.67064 
1 1 1  -46    4   19 o  158.453   10.476 10531.85  1340.18 10336.99  1666.56 10888.48  2254.63  155.446   13.333  156.340   18.095 -0.8940735 22.47695 
1 1 1  -46    4   20 o   73.541   9.9621  2305.85  579.556  2356.69  613.901  1889.24  1757.34   74.177   10.485   65.085   24.480 9.092667 26.63114 
1 1 1  -46    4   21 o  109.612   10.482  5148.51  921.534  4694.36  1018.72  7193.86  2161.91  103.585   12.356  119.016   23.205 -15.43166 26.28961 
1 1 1  -46    4   22 o   51.142   9.9554  1153.66  398.529  1361.94  407.387 -3480.2549  1921.56   55.936   9.2960   35.113   17.444 20.82304 19.76601 
1 1 1  -46    4   23 o   70.152   10.555  2201.15  582.576  2253.75  604.516  1515.69  2182.25   70.813   10.860   55.756   24.612 15.05778 26.90189 
1 1 1  -46    4   24 o   28.525   11.215  279.390  380.504  279.390  380.504   0.0000   0.0000   28.525   11.215  ?   ?  0.000000 11.21547 
1 1 1  -46    4   25 o   72.763   11.674  2615.67  666.399  2615.67  666.399   0.0000   0.0000   72.763   11.674  ?   ?  0.000000 11.67406 
1 1 1  -46    6    1 o  425.217   31.901 75033.42 10934.01   0.0000   0.0000 75033.42 10934.01  ?   ?   425.217   31.901 0.000000 31.90125 
1 1 1  -46    6    2 o  630.743   33.986 165119.30 17341.37 190590.91 24240.13 138416.91 24818.91  672.590   44.640  567.586   54.524 105.0040 70.46697 
1 1 1  -46    6    3 o  504.553   35.830 106215.60 14583.25 106215.60 14583.25   0.0000   0.0000  504.553   35.830  ?   ?  0.000000 35.82963 
1 1 1  -46    6    4 o  848.125   61.888 314783.50 42325.05 314783.50 42325.05   0.0000   0.0000  848.125   61.888  ?   ?  0.000000 61.88815 
1 1 1  -46    6    5 o  759.398   55.044 249986.59 33709.86 249986.59 33709.86   0.0000   0.0000  759.398   55.044  ?   ?  0.000000 55.04370 
1 1 1  -46    6    6 o  308.397   16.296 38950.98  4066.20 33911.98  5836.06 43704.84  5668.54  285.858   25.409  325.705   21.556 -39.84656 33.32069 
1 1 1  -46    6    7 o  676.088   26.593 188796.20 14598.31 195199.00 25402.23 185638.91 17838.19  674.229   46.688  667.384   32.918 6.845154 57.12614 
1 1 1  -46    6    8 o  560.436   27.386 130098.80 12462.22   0.0000   0.0000 130098.80 12462.22  ?   ?   560.436   27.386 0.000000 27.38618 
1 1 1  -46    6    9 o  294.867   12.063 35453.53  2888.05 40802.89  5125.43 32964.96  3495.86  314.478   20.179  283.561   15.239 30.91675 25.28692 
1 1 1  -46    6   10 o  295.608   12.189 35655.86  2925.63 40663.17  5187.90 33320.85  3542.69  313.608   20.486  284.938   15.369 28.66989 25.61040 
1 1 1  -46    6   11 o  456.890   18.095 85829.47  6712.71 97859.63 11734.13 79977.27  8184.17  481.660   30.155  438.755   23.054 42.90506 37.95813 
1 1 1  -46    6   12 o  545.670   21.514 123406.00  9532.03 141468.80 16613.28 114541.50 11638.28  572.972   35.891  521.642   27.576 51.33057 45.26084 
1 1 1  -46    6   13 o  283.903   12.101 32975.04  2789.48 36945.99  4967.46 31146.12  3371.20  297.663   20.681  274.916   15.161 22.74683 25.64310 
1 1 1  -46    6   14 o   69.815   9.0162  2021.60  499.168  4063.03  1050.69  1426.53  567.276   98.591   13.478   57.906   12.436 40.68496 18.33896 
1 1 1  -46    6   15 f   63.333   9.3729  1674.99  467.442  154.729  1208.52  1942.45  506.895   45.613   19.192   68.297   9.3890 -22.68354 21.36529 
1 1 1  -46    6   16 o  135.383   8.6311  7535.95  943.842  8495.18  1876.99  7211.31  1091.94  141.486   16.658  132.076   10.263 9.409348 19.56519 
1 1 1  -46    6   17 o   20.363   9.1066 -129.8591  308.761 -3094.7629  813.710  368.834  333.719  ?   ?    31.291   10.807 0.000000 10.80715 
1 1 1  -46    6   18 f   41.498   13.590  706.302  528.035  546.275  1245.06  741.397  583.069   48.779   19.901   42.750   14.293 6.029430 24.50215 
1 1 1  -46    6   19 o  195.024   10.473 15953.89  1652.41 15385.76  3095.69 16180.26  1954.07  182.755   21.259  195.163   12.395 -12.40862 24.60879 
1 1 1  -46    6   20 f  142.656   7.5489  8450.03  871.294  9112.28  1189.11  7682.29  1280.33  146.929   10.027  133.805   11.909 13.12343 15.56819 
1 1 1  -46    6   21 o  125.765   7.7602  6618.78  788.577  6836.96  1068.33  6357.62  1168.87  126.286   10.514  120.739   12.085 5.547028 16.01873 
1 1 1  -46    6   22 o   80.226   8.0864  2737.61  519.568  3184.63  678.295  2102.93  808.226   85.636   9.9397   66.463   15.294 19.17345 18.24041 
1 1 1  -46    6   23 o   90.971   7.8950  3549.02  577.387  3492.01  722.602  3649.70  960.263   88.683   10.222   87.648   13.961 1.035568 17.30365 
1 1 1  -46    6   24 o   94.263   8.2327  3903.02  623.800  3391.28  799.420  4699.72  997.463   84.413   12.001   98.616   12.756 -14.20341 17.51419 
1 1 1  -46    6   25 o   82.660   8.7144  3129.41  576.075  2908.31  710.735  3552.84  983.583   76.210   11.872   78.710   15.937 -2.500229 19.87293 
1 1 1  -46    8    1 o  457.784   34.191 87375.30 12617.17   0.0000   0.0000 87375.30 12617.17  ?   ?   457.784   34.191 0.000000 34.19076 
1 1 1  -46    8    2 o  246.311   21.802 25042.73  4315.35   0.0000   0.0000 25042.73  4315.35  ?   ?   246.311   21.802 0.000000 21.80241 
1 1 1  -46    8    3 o  189.673   15.866 14779.90  2421.01 14779.90  2421.01   0.0000   0.0000  189.673   15.866  ?   ?  0.000000 15.86574 
1 1 1  -46    8    4 o  123.084   12.626  6235.25  1244.01  6235.25  1244.01   0.0000   0.0000  123.084   12.626  ?   ?  0.000000 12.62636 
1 1 1  -46    8    5 o  331.471   18.124 45064.74  4859.52 32088.25  6955.89 57436.41  6791.85  276.412   31.558  373.371   22.508 -96.95880 38.76280 
1 1 1  -46    8    6 o  306.639   16.298 38523.02  4043.30 32325.46  5790.41 44420.33  5648.41  278.809   25.873  328.329   21.303 -49.52008 33.51410 
1 1 1  -46    8    7 o  311.632   16.108 39797.48  4061.91 38482.25  5809.94 41054.99  5681.04  304.781   23.663  315.196   22.343 -10.41431 32.54394 
1 1 1  -46    8    8 o  282.305   14.065 32538.93  3224.02   0.0000   0.0000 32538.93  3224.02  ?   ?   282.305   14.065 0.000000 14.06506 
1 1 1  -46    8    9 o   46.653   7.7051  908.716  281.689  1835.91  810.584  781.363  300.412   65.692   15.455   43.027   8.8927 22.66468 17.83065 
1 1 1  -46    8   10 o  292.070   11.962 34812.07  2836.71 45465.60  5037.03 29863.74  3432.86  332.027   18.761  269.560   15.753 62.46686 24.49708 
1 1 1  -46    8   11 o  333.709   13.947 45575.79  3779.22 45374.43  6665.85 45671.16  4587.81  329.143   25.132  332.987   17.025 -3.843445 30.35587 
1 1 1  -46    8   12 o  139.913   8.0502  7998.23  910.686  6667.16  1777.71  8471.82  1060.39  125.994   17.878  143.883   9.1237 -17.88844 20.07184 
1 1 1  -46    8   13 o   59.525   9.4120  1480.58  439.777  366.499  1109.38  1688.30  479.023   46.289   18.824   63.627   9.5683 -17.33784 21.11632 
1 1 1  -46    8   14 o  534.797   21.822 119954.90  9475.99 123080.20 16543.94 118428.90 11560.17  522.287   39.299  526.205   27.149 -3.917236 47.76515 
1 1 1  -46    8   15 o   99.816   8.4660  4100.55  679.676  5587.15  1522.60  3730.60  759.553  114.684   16.854   94.906   10.007 19.77771 19.60095 
1 1 1  -46    8   16 o  154.524   9.2100  9836.97  1150.31  9783.65  2211.31  9856.75  1346.89  150.900   18.431  154.257   10.822 -3.356735 21.37310 
1 1 1  -46    8   17 f   77.272   9.8558  2504.50  604.293 -401.8549  1429.65  3136.71  666.787   43.923   19.623   86.662   9.6392 -42.73829 21.86267 
1 1 1  -46    8   18 o   98.804   9.5818  4083.70  759.048  2736.80  1647.05  4446.90  855.287   76.442   23.899  102.888   10.380 -26.44553 26.05569 
1 1 1  -46    8   19 o  109.681   9.2632  5040.74  817.237  4921.78  1677.46  5077.77  935.806  102.340   20.894  109.544   10.656 -7.203758 23.45410 
1 1 1  -46    8   20 o   36.638   13.916  453.395  571.184 -921.1947  1479.47  694.167  619.190   39.926   18.617   41.561   14.696 -1.635342 23.71782 
1 1 1  -46    8   21 f   41.932   14.607  743.453  610.237  1496.28  1679.32  628.921  655.013   58.492   23.380   40.356   14.991 18.13616 27.77361 
1 1 1  -46    8   22 o   26.956   11.729  -3.8419  479.741  268.135  1425.95 -38.5562  509.438   44.638   19.790   27.261   11.968 17.37710 23.12763 
1 1 1  -46    8   23 o   46.346   15.174  1063.58  658.299  804.167  2040.44  1093.72  695.489   49.707   22.700   46.836   15.610 2.870235 27.54929 
1 1 1  -46    8   24 o   42.488   15.470  947.157  691.801   0.0000   0.0000  947.157  691.801  ?   ?    42.488   15.470 0.000000 15.46956 
1 1 1  -46   10    1 o  253.350   22.161 26510.94  4512.99   0.0000   0.0000 26510.94  4512.99  ?   ?   253.350   22.161 0.000000 22.16138 
1 1 1  -46   10    2 o  405.514   31.247 68487.20 10209.16   0.0000   0.0000 68487.20 10209.16  ?   ?   405.514   31.247 0.000000 31.24680 
1 1 1  -46   10    3 o  661.620   32.448 181742.59 17431.54 170699.70 24398.82 193256.00 24913.07  631.445   47.946  673.538   45.826 -42.09290 66.32390 
1 1 1  -46   10    4 o  184.039   11.159 13839.85  1659.71 11904.81  2483.99 15400.47  2230.76  169.632   18.326  193.801   14.277 -24.16858 23.23046 
1 1 1  -46   10    5 o  407.423   20.350 68061.67  6732.08 68084.84  9627.64 68039.51  9417.05  404.288   29.533  404.380   28.870 -0.9262085E-01 41.29993 
1 1 1  -46   10    6 o  495.662   24.771 101325.70  9969.55 96702.48 14178.75 105846.40 14020.73  478.489   36.776  501.799   34.623 -23.31064 50.50985 
1 1 1  -46   10    7 o  425.727   21.738 74747.57  7489.17 67917.53 10655.56 81415.27 10528.17  401.686   32.961  441.505   29.539 -39.81885 44.25995 
1 1 1  -46   10    8 o  149.501   9.0459  9130.13  1092.91   0.0000   0.0000  9130.13  1092.91  ?   ?   149.501   9.0459 0.000000 9.045916 
1 1 1  -46   10    9 o  380.322   15.359 59204.95  4743.15 62308.21  8364.31 57734.03  5758.57  386.089   26.848  374.297   19.010 11.79260 32.89700 
1 1 1  -46   10   10 o  249.091   10.714 25303.42  2166.87 27028.95  3909.71 24538.40  2603.27  255.548   18.978  244.672   13.152 10.87549 23.08965 
1 1 1  -46   10   11 o  406.154   16.233 67764.06  5353.34 77718.33  9430.74 63031.66  6502.53  429.692   27.170  389.809   20.618 39.88309 34.10726 
1 1 1  -46   10   12 o  517.769   20.898 111303.60  8785.93 113395.50 15367.34 110287.80 10708.76  509.242   37.427  511.823   25.852 -2.581268 45.48759 
1 1 1  -46   10   13 o  142.036   8.2972  8253.07  952.736  7821.95  1901.42  8397.60  1100.91  136.447   17.571  143.107   9.5289 -6.660217 19.98805 
1 1 1  -46   10   14 o  303.943   13.079 38014.16  3227.82 38147.75  5777.40 37953.55  3891.88  298.949   24.003  302.340   15.910 -3.390625 28.79720 
1 1 1  -46   10   15 o   35.857   11.685  511.869  390.528  1265.28  1164.82  416.458  414.519   57.452   20.171   33.989   12.023 23.46301 23.48240 
1 1 1  -46   10   16 o  108.034   8.8849  4826.85  772.479  5891.88  1657.62  4531.39  873.079  116.403   18.128  104.283   10.452 12.12046 20.92539 
1 1 1  -46   10   17 o  152.264   9.2364  9607.59  1136.53  8578.54  2192.22  9985.85  1329.10  138.781   20.034  154.734   10.643 -15.95255 22.68608 
1 1 1  -46   10   18 o   32.187   13.198  179.659  551.026  1710.95  1361.44 -120.3243  602.588   62.722   21.819   29.502   12.982 33.22034 25.38906 
1 1 1  -46   10   19 o   62.094   13.658  1715.64  669.892  1923.52  1612.83  1672.30  736.419   65.204   23.638   60.888   14.995 4.316212 27.99311 
1 1 1  -46   10   20 o  194.614   11.112 16188.98  1748.59 16456.55  3412.69 16093.73  2036.18  181.156   23.775  192.153   13.129 -10.99672 27.15932 
1 1 1  -46   10   21 o   38.407   14.551  545.189  623.553  2441.83  1817.83  292.264  663.829   67.120   24.966   35.217   14.468 31.90355 28.85550 
1 1 1  -46   10   22 o   70.092   14.249  2327.68  783.339  2990.65  2142.47  2225.38  841.609   67.715   26.616   67.509   15.657 0.2050552 30.88024 
1 1 1  -46   10   23 o   34.522   14.655  299.547  714.802 -833.0547  1734.38  531.291  784.529   39.083   18.775   38.212   15.717 0.8708954 24.48552 
1 1 1  -46   10   24 o   51.091   16.980  1553.53  823.149   0.0000   0.0000  1553.53  823.149  ?   ?    51.091   16.980 0.000000 16.97962 
1 1 1  -46   12    3 f  107.513   9.3591  4737.97  808.873  1445.02  1516.41  6047.52  956.278   64.207   22.966  121.522   9.7742 -57.31502 24.95933 
1 1 1  -46   12    4 o  166.866   10.981 11386.87  1479.46 10548.33  2289.38 11988.16  1938.64  159.564   17.984  170.844   14.101 -11.28017 22.85320 
1 1 1  -46   12    5 o  414.794   21.536 70890.57  7228.47 66349.80 10378.48 75168.43 10073.55  397.561   32.433  424.519   29.406 -26.95761 43.77914 
1 1 1  -46   12    6 o  216.361   12.484 19151.95  2183.80 19004.27  3208.45 19279.42  2980.81  214.520   18.604  216.359   17.107 -1.839157 25.27394 
1 1 1  -46   12    7 o  250.400   13.978 25688.09  2830.70 24177.86  4106.79 27055.03  3907.11  241.476   21.159  256.050   18.927 -14.57436 28.38886 
1 1 1  -46   12    8 o  409.526   29.790 70495.13  9838.08   0.0000   0.0000 70495.13  9838.08  ?   ?   409.526   29.790 0.000000 29.79046 
1 1 1  -46   12    9 o  506.889   19.722 105868.40  8117.01 118373.50 14266.38 99882.51  9870.34  527.832   33.460  489.628   24.909 38.20471 41.71423 
1 1 1  -46   12   10 o  559.478   21.136 129538.00  9601.42 161380.80 16842.95 114208.80 11686.16  614.587   33.883  521.125   27.718 93.46161 43.77557 
1 1 1  -46   12   11 o  205.035   8.8437 17133.25  1472.31 25541.76  2859.79 14100.82  1717.39  249.194   14.192  185.417   11.463 63.77716 18.24386 
1 1 1  -46   12   12 o  323.372   13.628 42910.24  3578.30 45671.67  6432.77 41672.93  4305.98  329.046   24.248  317.389   16.768 11.65665 29.48105 
1 1 1  -46   12   13 o  183.624   9.5138 13814.04  1413.61 12006.75  2744.14 14466.88  1649.29  168.324   20.502  187.669   10.870 -19.34464 23.20494 
1 1 1  -46   12   14 o   45.455   11.604  881.975  429.756  2297.17  1290.32  705.401  455.779   72.759   20.799   41.246   12.515 31.51257 24.27397 
1 1 1  -46   12   15 o  311.464   13.774 40380.77  3483.41 38552.91  6303.42 41184.41  4179.60  293.616   26.733  312.468   16.532 -18.85260 31.43179 
1 1 1  -46   12   16 o  225.450   10.965 21076.66  2007.22 21015.20  3814.36 21100.19  2360.49  217.620   21.883  224.276   13.018 -6.655914 25.46282 
1 1 1  -46   12   17 o  122.693   9.1391  6258.60  903.926  7745.62  2051.08  5900.18  1006.99  131.350   19.851  118.639   10.564 12.71169 22.48669 
1 1 1  -46   12   18 o   85.118   10.189  3066.24  690.174  2014.29  1538.83  3331.13  772.198   66.665   23.196   88.485   10.984 -21.82024 25.66563 
1 1 1  -46   12   19 o  141.989   9.9611  8507.46  1141.15  7198.89  2508.23  8849.01  1281.45  117.549   26.866  144.215   11.027 -26.66666 29.04071 
1 1 1  -46   12   20 o  102.389   10.729  4514.92  878.695  4431.81  1961.77  4535.77  982.794   90.087   25.609  101.841   12.123 -11.75467 28.33338 
1 1 1  -46   12   21 f   74.835   13.347  2559.10  781.265  3599.63  2179.75  2405.73  836.865   75.875   27.485   71.564   14.887 4.310768 31.25744 
1 1 1  -46   12   22 f   27.199   12.413 -236.2362  608.748  272.687  2162.92 -280.0174  634.393   48.903   22.704   27.378   12.561 21.52474 25.94732 
1 1 1  -46   12   23 o   51.263   16.696  1442.51  797.337  799.662  2568.41  1511.07  838.778   48.595   23.210   52.090   17.132 -3.495224 28.84818 
1 1 1  -46   12   24 o   41.017   17.052  946.391  937.027   0.0000   0.0000  946.391  937.027  ?   ?    41.017   17.052 0.000000 17.05183 
1 1 1  -46   14    1 o  284.371   24.989 33582.18  5711.33   0.0000   0.0000 33582.18  5711.33  ?   ?   284.371   24.989 0.000000 24.98859 
1 1 1  -46   14    2 o  128.145   22.305  6939.42  2236.49   0.0000   0.0000  6939.42  2236.49  ?   ?   128.145   22.305 0.000000 22.30469 
1 1 1  -46   14    3 o  489.956   21.623 98666.15  8602.37 82823.59 15133.57 106228.60 10455.86  439.267   42.981  506.572   25.502 -67.30460 49.97701 
1 1 1  -46   14    4 o  251.251   12.906 25814.54  2624.07 20821.90  4611.47 28205.23  3191.07  222.964   25.958  262.329   15.044 -39.36446 30.00245 
1 1 1  -46   14    5 o  260.486   14.835 27815.42  3124.66 27114.19  4653.46 28391.19  4216.65  255.531   22.663  262.167   19.958 -6.636078 30.19879 
1 1 1  -46   14    6 o  572.226   29.907 137081.80 13847.28 124389.70 19783.28 149272.59 19388.72  534.092   46.070  589.710   40.742 -55.61780 61.50057 
1 1 1  -46   14    7 o  193.055   12.358 15273.04  1927.04 13300.29  2897.24 16838.21  2580.65  178.609   20.340  202.164   15.848 -23.55511 25.78559 
1 1 1  -46   14    8 o  244.966   13.994 24624.51  2771.86 24936.18  4080.21 24357.39  3777.30  244.987   20.706  242.458   19.348 2.528244 28.33847 
1 1 1  -46   14    9 o  109.357   10.639  4924.25  932.755  4683.87  1478.48  5083.18  1202.20  105.275   17.939  110.632   13.674 -5.356857 22.55669 
1 1 1  -46   14   10 o  152.607   7.5754  9481.25  938.679 13818.50  1971.83  8210.33  1067.38  183.227   13.346  141.605   9.3357 41.62206 16.28677 
1 1 1  -46   14   11 o  193.555   12.806 15415.00  2001.15 10726.24  3169.53 18523.02  2580.52  157.864   25.604  211.727   15.110 -53.86311 29.73004 
1 1 1  -46   14   12 o   37.429   10.545  588.370  334.171 -1030.6610  1207.02  722.768  347.764   36.497   16.950   41.245   10.389 -4.748848 19.88064 
1 1 1  -46   14   13 o  185.735   9.5368 14155.06  1433.40 14021.97  2887.58 14198.58  1651.21  181.701   19.897  185.697   11.000 -3.996750 22.73567 
1 1 1  -46   14   14 o  192.217   10.140 15228.37  1576.97 13099.00  3131.80 15951.66  1825.26  173.007   22.854  196.326   11.500 -23.31883 25.58405 
1 1 1  -46   14   15 o   57.042   11.303  1393.12  504.998  1355.62  1505.55  1397.87  536.053   60.921   22.709   57.006   11.963 3.914707 25.66680 
1 1 1  -46   14   16 o   45.144   12.943  877.237  498.982  965.846  1564.87  867.208  526.463   56.851   22.619   45.030   13.403 11.82164 26.29246 
1 1 1  -46   14   17 o   48.998   13.838  1051.48  574.765  627.996  1669.80  1108.40  612.174   54.266   22.678   50.252   14.313 4.014156 26.81702 
1 1 1  -46   14   18 o   98.777   10.047  4124.80  794.599  4094.04  2120.91  4129.82  857.019   88.922   27.001   98.499   10.898 -9.576851 29.11782 
1 1 1  -46   14   19 o   41.838   14.734  712.613  621.852  451.209  1926.64  743.013  657.016   53.522   23.391   42.732   15.135 10.79028 27.86010 
1 1 1  -46   14   20 o   93.625   12.738  3898.87  943.234  3763.56  2469.57  3921.98  1020.61   78.273   29.102   93.150   13.921 -14.87735 32.26051 
1 1 1  -46   14   21 o   51.190   15.123  1260.28  672.185  3409.58  2373.64  1072.88  700.875   71.155   28.001   47.580   15.661 23.57539 32.08279 
1 1 1  -46   14   22 o   39.852   16.597  553.823  889.961  3053.63  2627.32  229.817  945.880   61.980   27.195   37.158   16.310 24.82226 31.71084 
1 1 1  -46   14   23 o   37.169   15.147  591.493  720.237 -3029.5481  2892.39  830.863  743.662   39.011   19.664   40.643   15.765 -1.631554 25.20288 
1 1 1  -46   16    1 o  573.424   43.653 141377.59 20172.01   0.0000   0.0000 141377.59 20172.01  ?   ?   573.424   43.653 0.000000 43.65253 
1 1 1  -46   16    2 o  540.897   26.660 121239.60 11708.71   0.0000   0.0000 121239.60 11708.71  ?   ?   540.897   26.660 0.000000 26.65976 
1 1 1  -46   16    3 o  403.124   19.403 66729.05  6351.15 53571.31 11360.05 72711.72  7660.15  352.685   40.398  419.392   22.578 -66.70798 46.27909 
1 1 1  -46   16    4 o  627.541   25.487 163194.59 12986.54 153504.00 22694.96 167912.50 15835.32  592.364   47.586  633.603   30.780 -41.23834 56.67353 
1 1 1  -46   16    5 o  445.550   24.512 82472.23  8833.59 71712.78 12832.63 92162.32 12178.22  408.177   39.202  467.245   32.298 -59.06815 50.79295 
1 1 1  -46   16    6 o  115.062   11.178  5449.69  1031.10  2346.28  1697.37  7264.68  1298.06   75.962   24.325  132.861   12.168 -56.89867 27.19868 
1 1 1  -46   16    7 o  384.903   28.538 62405.51  8855.32   0.0000   0.0000 62405.51  8855.32  ?   ?   384.903   28.538 0.000000 28.53773 
1 1 1  -46   16    8 o  443.842   23.418 82117.00  8409.54 78495.66 12134.64 85463.45 11665.02  426.927   35.323  447.641   32.311 -20.71402 47.87141 
1 1 1  -46   16    9 o  294.490   16.457 35784.34  3919.47 35293.65  5763.10 36206.63  5346.28  289.552   24.750  294.177   22.554 -4.624359 33.48544 
1 1 1  -46   16   10 o  389.928   16.047 62630.94  5080.59 64953.59  9193.71 61609.80  6095.96  389.670   29.271  384.924   19.569 4.746429 35.20986 
1 1 1  -46   16   11 o  144.974   9.7249  8626.01  1138.13 11095.43  2089.36  7584.11  1357.15  163.154   15.977  135.398   12.485 27.75529 20.27651 
1 1 1  -46   16   12 f   80.636   8.2448  2682.76  532.228  437.139  1541.87  2986.53  567.084   53.290   21.990   85.113   8.3118 -31.82247 23.50871 
1 1 1  -46   16   13 o  130.864   8.9017  7048.69  940.250  6423.82  2147.49  7196.88  1045.82  120.501   22.783  132.045   9.8246 -11.54395 24.81108 
1 1 1  -46   16   14 o  179.667   10.185 13353.88  1479.65  9891.55  3073.42 14398.49  1688.16  146.604   26.807  186.220   11.217 -39.61552 29.05892 
1 1 1  -46   16   15 o  117.474   9.1099  5724.33  862.148  5244.42  2109.90  5820.52  944.608  105.678   24.983  118.228   9.9320 -12.54972 26.88475 
1 1 1  -46   16   16 o  105.268   9.5209  4630.08  804.979  7163.81  2081.25  4184.37  872.915  125.118   21.246   99.562   10.981 25.55578 23.91607 
1 1 1  -46   16   17 o   37.875   13.276  556.910  504.494   82.800  1771.41  598.759  526.289   50.872   22.325   39.002   13.566 11.86950 26.12372 
1 1 1  -46   16   18 o   63.668   13.531  1810.24  677.916  1216.71  2047.90  1883.29  718.420   60.518   25.188   64.763   14.065 -4.244659 28.84870 
1 1 1  -46   16   19 o   64.538   14.798  1918.65  758.902  1450.99  1943.74  2002.76  824.328   59.957   24.710   65.542   15.697 -5.585075 29.27401 
1 1 1  -46   16   20 o   92.451   11.905  3797.73  872.880  386.276  2733.71  4185.03  921.096   55.811   25.775   97.081   11.936 -41.27037 28.40452 
1 1 1  -46   16   21 o   92.824   17.688  4389.62  1284.48  697.375  3037.35  5193.76  1417.47   54.639   25.850  100.813   17.976 -46.17410 31.48569 
1 1 1  -46   16   22 o   93.534   18.267  4820.13  1337.52  3103.60  2935.07  5270.02  1502.60   57.915   26.732   95.272   20.058 -37.35794 33.42089 
1 1 1  -46   16   23 f   33.176   14.825  226.743  816.416   0.0000   0.0000  226.743  816.416  ?   ?    33.176   14.825 0.000000 14.82475 
1 1 1  -46   18    1 o  371.695   21.663 57141.79  6509.63   0.0000   0.0000 57141.79  6509.63  ?   ?   371.695   21.663 0.000000 21.66296 
1 1 1  -46   18    2 o  276.406   16.522 31412.99  3691.18   0.0000   0.0000 31412.99  3691.18  ?   ?   276.406   16.522 0.000000 16.52235 
1 1 1  -46   18    3 o  438.132   17.517 78775.82  6231.75 84658.93 11311.00 76211.78  7467.27  447.998   31.291  429.812   21.397 18.18607 37.90723 
1 1 1  -46   18    4 o  222.719   12.626 20321.23  2273.88 19841.41  4225.85 20516.77  2697.73  217.426   24.355  223.387   14.960 -5.961594 28.58248 
1 1 1  -46   18    5 o  331.519   17.185 45256.51  4610.00 38099.70  8184.04 48582.76  5579.37  297.726   34.493  342.629   20.144 -44.90381 39.94424 
1 1 1  -46   18    6 o  240.609   15.855 23854.40  3080.18 17859.70  4763.49 28162.01  4037.94  204.097   29.609  260.663   19.214 -56.56654 35.29643 
1 1 1  -46   18    7 o  220.552   14.103 20009.81  2512.39 19684.26  3945.53 20231.83  3258.37  216.489   22.788  220.790   18.341 -4.301605 29.25215 
1 1 1  -46   18    8 o  120.289   11.744  5971.66  1132.45  8038.24  2068.14  5086.68  1353.38  138.217   18.925  110.198   15.558 28.02009 24.49932 
1 1 1  -46   18    9 o  219.794   13.928 19918.72  2472.77 21075.24  3886.72 19132.28  3205.08  223.741   21.666  214.100   18.622 9.641235 28.56908 
1 1 1  -46   18   10 o  238.484   15.099 23561.90  2908.64 22120.37  4480.88 24611.60  3823.70  227.288   24.676  242.122   19.618 -14.83342 31.52463 
1 1 1  -46   18   11 o   70.501   8.6001  2061.18  482.104  4440.59  1507.58  1790.14  508.823  101.403   19.009   65.394   9.8918 36.00893 21.42837 
1 1 1  -46   18   12 o  167.680   10.224 11598.39  1385.40  6150.75  2990.17 13087.44  1563.31  114.526   31.274  177.977   10.870 -63.45090 33.10960 
1 1 1  -46   18   13 o  204.386   10.592 17291.55  1751.77 13476.57  3630.76 18449.09  1999.95  171.602   26.945  210.677   11.738 -39.07437 29.39106 
1 1 1  -46   18   14 f  200.531   10.962 16737.91  1778.05 13157.30  3696.12 17816.02  2028.14  166.624   28.334  206.327   12.160 -39.70303 30.83278 
1 1 1  -46   18   15 o   43.700   12.912  819.382  489.980  2569.04  1619.64  643.120  514.068   74.522   23.751   39.992   13.421 34.52967 27.28040 
1 1 1  -46   18   16 o  104.328   9.6577  4567.81  808.836  2247.39  2279.05  4902.20  865.154   71.952   27.684  107.992   9.9794 -36.03974 29.42820 
1 1 1  -46   18   17 o   27.330   11.777  -7.7026  474.465 -399.7143  1948.99   16.993  489.182   49.397   22.414   28.078   12.026 21.31895 25.43661 
1 1 1  -46   18   18 o   32.907   13.623  196.400  594.507 -1074.1801  2208.77  295.638  617.287   47.921   22.475   34.789   14.080 13.13147 26.52072 
1 1 1  -46   18   19 o   65.628   13.420  1967.25  691.008 -1265.0060  2584.58  2216.08  717.113   49.184   23.434   69.919   13.113 -20.73515 26.85331 
1 1 1  -46   18   20 o   85.626   19.083  3796.45  1292.85 -753.9185  3052.71  4790.98  1427.16   51.508   24.786   96.805   18.835 -45.29699 31.12997 
1 1 1  -46   18   21 o   38.354   16.732  329.368  982.005 -2530.4561  2474.47  863.966  1069.86   40.203   19.942   44.451   18.327 -4.248230 27.08446 
1 1 1  -46   18   22 o   31.789   14.976 -357.3924  1000.11  1681.49  3326.90 -559.9494  1048.62   49.293   24.195   31.250   14.899 18.04341 28.41469 
1 1 1  -46   20    1 o  236.551   15.792 23038.05  3015.68   0.0000   0.0000 23038.05  3015.68  ?   ?   236.551   15.792 0.000000 15.79157 
1 1 1  -46   20    2 o  124.457   13.096  6400.34  1303.60   0.0000   0.0000  6400.34  1303.60  ?   ?   124.457   13.096 0.000000 13.09639 
1 1 1  -46   20    3 o  590.473   32.236 148089.00 15397.07   0.0000   0.0000 148089.00 15397.07  ?   ?   590.473   32.236 0.000000 32.23631 
1 1 1  -46   20    4 o  231.895   13.788 22091.39  2584.39 20036.00  4982.38 22847.97  3022.84  216.423   29.089  235.394   15.909 -18.97102 33.15530 
1 1 1  -46   20    5 o  330.294   17.320 45040.64  4628.83 40228.82  8324.39 47194.39  5569.22  304.816   34.225  337.029   20.448 -32.21307 39.86835 
1 1 1  -46   20    6 f  407.943   30.729 71232.65 10103.87   0.0000   0.0000 71232.65 10103.87  ?   ?   407.943   30.729 0.000000 30.72921 
1 1 1  -46   20    7 o  329.991   20.127 45416.88  5367.02 37242.28  8129.58 51732.24  7145.51  290.871   35.133  349.612   25.344 -58.74182 43.32020 
1 1 1  -46   20    8 o   28.415   12.451 -128.3058  549.094  3907.65  1485.34 -767.1630  590.956   95.161   19.865   23.527   11.208 71.63403 22.80890 
1 1 1  -46   20    9 o  167.519   13.610 11639.70  1835.17  8916.65  3151.31 13037.07  2257.45  141.412   28.431  176.692   15.905 -35.28006 32.57768 
1 1 1  -46   20   10 o  215.780   25.340 20362.39  4355.16 20362.39  4355.16   0.0000   0.0000  215.780   25.340  ?   ?  0.000000 25.33969 
1 1 1  -46   20   11 o  189.302   11.264 14833.36  1723.54 10500.87  3965.68 15842.29  1913.73  148.131   33.727  195.363   12.124 -47.23195 35.84001 
1 1 1  -46   20   12 o  157.463   8.7876 10218.14  1119.06 13581.73  3015.03  9680.74  1205.14  175.591   21.603  152.989   9.7523 22.60181 23.70207 
1 1 1  -46   20   13 o  148.657   9.0593  9141.83  1088.28  7327.03  2804.59  9463.53  1180.80  123.283   28.575  151.064   9.6776 -27.78035 30.16942 
1 1 1  -46   20   14 o   18.873   8.8566 -348.6144  343.828 -2699.2810  1712.45 -249.8717  350.975   36.733   17.885   20.286   9.3200 16.44739 20.16780 
1 1 1  -46   20   15 o   73.716   10.190  2306.52  593.624  599.432  2172.22  2444.30  617.115   58.914   25.291   75.893   10.279 -16.97849 27.29991 
1 1 1  -46   20   16 o  102.718   10.108  4463.31  832.160  383.376  2532.88  4956.99  881.069   59.648   26.414  108.282   10.139 -48.63382 28.29304 
1 1 1  -46   20   17 o   57.916   13.501  1511.74  623.169 -1807.6990  2420.73  1747.33  644.904   47.481   22.638   62.495   13.127 -15.01344 26.16856 
1 1 1  -46   20   18 o   70.327   13.236  2235.51  728.107  5909.33  2739.22  1956.21  755.277   95.978   30.919   64.976   14.664 31.00198 34.22032 
1 1 1  -46   20   19 f   23.170   11.578 -2148.3159  899.602 -178.1751  2550.18 -2428.3250  961.408   51.397   24.119   23.441   11.751 27.95654 26.82949 
1 1 1  -46   20   20 o   52.561   19.945  1487.25  1172.65 -178.1553  3187.73  1747.89  1261.08   51.155   24.790   55.582   20.771 -4.427311 32.34110 
1 1 1  -46   20   21 o   39.865   17.703  468.832  1145.64  2988.42  3468.95  160.382  1213.74   54.872   26.409   38.168   17.460 16.70384 31.65902 
1 1 1  -46   22    1 o   87.847   14.298  3244.81  984.756   0.0000   0.0000  3244.81  984.756  ?   ?    87.847   14.298 0.000000 14.29761 
1 1 1  -46   22    2 o  148.309   14.352  9107.83  1706.73   0.0000   0.0000  9107.83  1706.73  ?   ?   148.309   14.352 0.000000 14.35243 
1 1 1  -46   22    3 o  394.014   22.798 65028.02  7262.42   0.0000   0.0000 65028.02  7262.42  ?   ?   394.014   22.798 0.000000 22.79770 
1 1 1  -46   22    4 o  161.562   12.505 10756.87  1627.64  9320.61  3534.89 11143.31  1833.57  145.025   30.961  164.177   13.885 -19.15169 33.93169 
1 1 1  -46   22    5 o  128.995   14.092  6920.13  1452.04   0.0000   0.0000  6920.13  1452.04  ?   ?   128.995   14.092 0.000000 14.09248 
1 1 1  -46   22    6 o   48.552   15.977  935.376  729.448 -389.2732  1756.15  1211.57  801.897   50.288   22.145   54.056   16.639 -3.767113 27.69955 
1 1 1  -46   22    7 o   71.170   14.986  2171.12  838.659  3180.12  2185.95  1996.96  908.156   86.135   27.607   68.023   16.591 18.11121 32.20904 
1 1 1  -46   22    8 o  195.263   14.947 15910.25  2351.76 13296.76  4037.64 17252.14  2893.19  171.504   30.092  202.261   17.798 -30.75693 34.96130 
1 1 1  -46   22    9 o  226.030   27.439 22825.33  4932.67 22825.33  4932.67   0.0000   0.0000  226.030   27.439  ?   ?  0.000000 27.43942 
1 1 1  -46   22   10 o  155.578   14.342 10188.90  1791.38  9783.91  3267.71 10362.91  2141.93  145.158   28.741  155.713   17.230 -10.55534 33.51027 
1 1 1  -46   22   11 o  360.307   22.491 57284.75  6546.99 51128.19  9912.88 62047.90  8719.24  315.710   39.537  364.471   29.722 -48.76138 49.46268 
1 1 1  -46   22   12 f  257.124   12.624 27670.49  2635.49 26220.70  5691.68 28066.18  2973.47  232.589   30.903  257.537   14.275 -24.94749 34.04078 
1 1 1  -46   22   13 o  235.824   11.628 23275.27  2226.56 24036.23  5123.04 23098.05  2472.27  221.954   29.130  233.677   13.082 -11.72346 31.93295 
1 1 1  -46   22   14 o  120.724   9.2360  6085.92  898.478  8511.61  3149.14  5870.97  937.443  127.463   30.776  118.338   9.8456 9.124512 32.31275 
1 1 1  -46   22   15 o   30.786   11.863  282.548  418.986 -2828.5901  2448.39  376.405  425.259   45.227   21.871   32.818   12.101 12.40893 24.99521 
1 1 1  -46   22   16 o   19.557   9.3976 -605.5623  435.134  939.555  2662.50 -647.9642  441.065   62.134   27.317   19.418   9.3633 42.71674 28.87685 
1 1 1  -46   22   17 o   63.332   12.612  1801.98  625.759  1514.56  3128.08  1813.97  638.669   64.997   29.033   63.443   12.839 1.554607 31.74496 
1 1 1  -46   22   18 o   54.227   20.576  1412.80  1248.10  2867.88  3358.31  1179.61  1344.39   67.989   30.246   52.093   20.885 15.89572 36.75599 
1 1 1  -46   22   19 o   45.566   19.074  801.743  1184.06 -1957.9230  3598.27  1136.85  1253.89   49.402   24.423   49.300   20.027 0.1017952 31.58386 
1 1 1  -46   22   20 o   55.619   20.272  1918.97  1188.45  1090.87  4119.86  1994.13  1241.22   52.122   25.833   56.192   20.681 -4.070313 33.09123 
1 1 1  -46   22   21 f   66.943   22.350  3460.47  1425.66  6419.10  4682.75  3158.22  1496.72   53.389   26.637   61.895   22.721 -8.506084 35.01070 
1 1 1  -46   24    1 o   99.318   15.761  4175.24  1228.56   0.0000   0.0000  4175.24  1228.56  ?   ?    99.318   15.761 0.000000 15.76101 
1 1 1  -46   24    2 o  114.054   15.737  5479.09  1418.56   0.0000   0.0000  5479.09  1418.56  ?   ?   114.054   15.737 0.000000 15.73699 
1 1 1  -46   24    3 o  165.845   15.656 11487.61  2083.33   0.0000   0.0000 11487.61  2083.33  ?   ?   165.845   15.656 0.000000 15.65622 
1 1 1  -46   24    4 o  303.548   19.628 38833.99  4811.92   0.0000   0.0000 38833.99  4811.92  ?   ?   303.548   19.628 0.000000 19.62840 
1 1 1  -46   24    5 o  132.948   13.451  7372.55  1432.04  8080.40  3390.52  7218.86  1579.88  132.279   31.931  131.084   15.121 1.194336 35.33015 
1 1 1  -46   24    6 o  365.614   19.630 56680.52  5806.04 52831.87 10731.74 58273.19  6903.63  330.901   40.807  367.618   23.248 -36.71719 46.96457 
1 1 1  -46   24    7 o  218.808   15.280 20080.95  2697.74 17926.88  5270.51 20845.65  3140.29  194.563   34.632  221.823   17.579 -27.25993 38.83775 
1 1 1  -46   24    8 o   65.259   26.845  950.872  2288.93  950.872  2288.93   0.0000   0.0000   65.259   26.845  ?   ?  0.000000 26.84521 
1 1 1  -46   24    9 o   60.204   16.784  1583.51  851.235 -2693.8020  2320.93  2248.31  914.999   46.082   22.025   71.642   16.119 -25.56014 27.29343 
1 1 1  -46   24   10 o   37.055   15.123  250.979  719.216 -1520.8320  2319.38  439.473  756.506   50.512   23.471   40.340   15.829 10.17162 28.31011 
1 1 1  -46   24   11 o  132.132   15.263  7511.82  1607.38  5114.25  3252.01  8286.91  1849.03  100.024   33.754  138.040   16.846 -38.01691 37.72425 
1 1 1  -46   24   12 o  134.294   16.608  7896.96  1772.40  4548.01  3654.21  8927.17  2026.76   93.763   35.294  142.037   17.976 -48.27406 39.60842 
1 1 1  -46   24   13 o   41.669   11.238  754.456  388.963  1010.52  2513.09  748.172  393.707   64.223   27.376   41.509   11.354 22.71339 29.63703 
1 1 1  -46   24   14 o   59.144   10.938  1517.56  505.910  4386.32  2766.78  1418.33  514.586   88.962   31.095   56.951   11.524 32.01112 33.16204 
1 1 1  -46   24   15 o   22.974   10.200 -108.8617  380.041 -1923.1980  3232.73 -83.4353  382.695   54.448   26.015   23.419   10.324 31.02822 27.98887 
1 1 1  -46   24   16 o  123.722   10.337  6571.08  1028.90  6772.69  4248.07  6558.51  1060.48   91.673   36.994  123.372   10.692 -31.69879 38.50777 
1 1 1  -46   24   17 o   52.416   19.470  1298.08  1104.86 -428.2222  3929.85  1446.24  1151.30   58.105   28.001   54.445   19.936 3.659840 34.37284 
1 1 1  -46   24   18 o   58.222   22.088  1941.30  1438.00  5023.02  4380.23  1569.04  1522.37   69.153   32.174   54.457   22.086 14.69634 39.02504 
1 1 1  -46   24   19 o   38.635   16.837  404.119  991.972 -7744.0479  4478.94  824.411  1017.23   42.244   21.597   43.061   17.823 -0.8169823 28.00166 
1 1 1  -46   24   20 f   30.500   14.894 -1090.3300  1212.71 -169.8629  4895.60 -1150.5050  1251.72   46.240   23.546   30.728   15.032 15.51161 27.93546 
1 1 1  -46   26    1 o  134.821   16.893  7719.94  1808.64   0.0000   0.0000  7719.94  1808.64  ?   ?   134.821   16.893 0.000000 16.89254 
1 1 1  -46   26    2 o  176.622   16.635 13169.29  2357.55   0.0000   0.0000 13169.29  2357.55  ?   ?   176.622   16.635 0.000000 16.63509 
1 1 1  -46   26    3 o   40.079   15.882  383.340  768.629   0.0000   0.0000  383.340  768.629  ?   ?    40.079   15.882 0.000000 15.88214 
1 1 1  -46   26    4 o  159.207   16.388 10739.49  2088.17   0.0000   0.0000 10739.49  2088.17  ?   ?   159.207   16.388 0.000000 16.38755 
1 1 1  -46   26    5 o  173.624   14.762 12682.20  2061.41 15952.08  4909.23 11982.23  2271.36  182.296   34.428  167.830   16.898 14.46661 38.35144 
1 1 1  -46   26    6 f  136.217   14.679  7851.96  1597.95  7182.55  3997.61  7979.25  1743.28  119.424   37.216  136.822   15.994 -17.39880 40.50687 
1 1 1  -46   26    7 o  102.627   33.411  5124.55  3193.14  1265.95  3935.97 12553.70  5461.43   79.592   34.102  151.681   42.593 -72.08887 54.56305 
1 1 1  -46   26    8 o  144.653   15.732  8959.43  1817.96  9144.33  4008.25  8911.54  2039.84  132.690   36.199  143.179   17.940 -10.48894 40.40023 
1 1 1  -46   26    9 o   52.952   17.254  1183.21  851.512 -5423.2998  3011.14  1757.44  887.747   45.992   22.662   62.911   16.983 -16.91912 28.31901 
1 1 1  -46   26   10 o   38.328   15.823  246.085  798.869 -2539.7549  2857.98  482.197  832.034   52.093   24.770   41.937   16.554 10.15603 29.79237 
1 1 1  -46   26   11 o  245.664   19.237 26948.11  3806.49 22887.55  6602.31 28969.83  4658.70  194.589   42.938  249.688   23.246 -55.09953 48.82657 
1 1 1  -46   26   12 o   73.548   19.366  2526.49  1172.43  1855.65  3267.64  2625.61  1256.07   73.240   31.218   74.659   20.221 -1.419281 37.19474 
1 1 1  -46   26   13 o   26.156   10.272  178.658  318.849 -461.0701  3546.77  183.870  320.145   62.789   29.124   26.305   10.304 36.48447 30.89321 
1 1 1  -46   26   14 o   35.975   11.844  540.904  400.865  3460.85  3289.83  496.897  403.875   78.225   32.182   34.959   11.895 43.26529 34.30965 
1 1 1  -46   26   15 o   80.215   10.290  2786.55  654.747  3375.60  3790.61  2768.44  664.738   74.427   32.660   79.847   10.508 -5.419746 34.30932 
1 1 1  -46   26   16 o   66.619   22.390  2455.49  1430.92  5309.86  4045.23  2047.25  1529.83   77.779   33.945   61.538   22.900 16.24086 40.94744 
1 1 1  -46   26   17 o   53.396   21.380  1492.98  1406.88 -2851.3601  4497.08  1964.29  1481.23   51.379   25.705   58.225   22.339 -6.846882 34.05543 
1 1 1  -46   26   18 o   34.593   15.768 -54.3626  978.518 -8703.9434  5216.07  261.142  996.204   43.932   22.522   37.396   16.562 6.535812 27.95637 
1 1 1  -46   28    1 o  175.236   18.490 13211.38  2591.13   0.0000   0.0000 13211.38  2591.13  ?   ?   175.236   18.490 0.000000 18.48990 
1 1 1  -46   28    2 o   21.786   10.572 -978.4265  585.096   0.0000   0.0000 -978.4265  585.096  ?   ?    21.786   10.572 0.000000 10.57208 
1 1 1  -46   28    3 o   74.397   19.617  2467.17  1201.92   0.0000   0.0000  2467.17  1201.92  ?   ?    74.397   19.617 0.000000 19.61677 
1 1 1  -46   28    4 o  102.588   18.400  4624.81  1476.38   0.0000   0.0000  4624.81  1476.38  ?   ?   102.588   18.400 0.000000 18.40003 
1 1 1  -46   28    5 o  201.715   16.900 17449.27  2742.40 20564.54  6639.65 16808.50  3011.26  193.413   43.351  196.515   19.114 -3.102005 47.37787 
1 1 1  -46   28    6 o  287.218   29.048 39042.64  6681.25 40142.09  9479.39 37957.31  9418.32  266.563   45.425  256.760   46.904 9.803223 65.29543 
1 1 1  -46   28    7 o  227.314   16.903 22313.69  3097.42 27926.19  7053.83 20972.97  3447.58  227.364   39.651  218.058   19.684 9.305954 44.26786 
1 1 1  -46   28    8 o  104.702   18.073  4885.06  1480.94  5727.75  4403.75  4777.60  1572.53  102.351   38.695  102.773   19.559 -0.4222031 43.35765 
1 1 1  -46   28    9 o  165.837   17.533 12131.96  2325.04 12920.81  5368.35 11949.83  2579.52  143.428   42.825  162.742   19.938 -19.31314 47.23927 
1 1 1  -46   28   10 o  101.656   19.397  4754.15  1542.64  4643.58  4645.90  4767.85  1635.43   92.130   38.107  101.057   20.629 -8.926353 43.33257 
1 1 1  -46   28   11 o  127.987   19.079  7537.44  1922.09  2328.76  4728.71  8568.34  2103.72   79.629   35.623  136.153   19.594 -56.52431 40.65599 
1 1 1  -46   28   12 f   89.120   20.263  3830.53  1433.10  1980.73  4084.29  4090.24  1530.40   73.882   33.076   91.641   21.015 -17.75914 39.18710 
1 1 1  -46   28   13 o   79.016   9.4170  2666.64  592.278  6788.07  4588.64  2596.82  597.275   92.557   38.034   77.866   9.6539 14.69085 39.24042 
1 1 1  -46   28   14 o   57.974   21.553  1635.42  1354.38 -4466.2212  4406.33  2272.04  1423.29   53.306   26.470   65.646   22.329 -12.34014 34.63044 
1 1 1  -46   28   15 o   32.308   15.479 -1123.3719  1161.73  2184.70  4314.27 -1381.9910  1206.29   64.636   30.646   31.791   15.368 32.84484 34.28327 
1 1 1  -46   28   16 o   41.031   18.612  100.463  1342.43 -2946.3230  4840.18  354.362  1397.24   51.537   25.907   43.304   19.369 8.232761 32.34722 
1 1 1  -46   28   17 o   52.040   21.793  1692.26  1546.58  7957.80  5498.35  1153.94  1611.65   62.994   30.957   47.968   21.164 15.02602 37.50022 
1 1 1  -46   30    1 o   89.899   23.520  3752.70  1736.63   0.0000   0.0000  3752.70  1736.63  ?   ?    89.899   23.520 0.000000 23.52031 
1 1 1  -46   30    2 o   66.074   22.313  1884.33  1421.04   0.0000   0.0000  1884.33  1421.04  ?   ?    66.074   22.313 0.000000 22.31253 
1 1 1  -46   30    3 o  135.732   20.047  8212.89  2142.85   0.0000   0.0000  8212.89  2142.85  ?   ?   135.732   20.047 0.000000 20.04672 
1 1 1  -46   30    4 o   88.252   37.349  2905.68  4620.00   0.0000   0.0000  2905.68  4620.00  ?   ?    88.252   37.349 0.000000 37.34857 
1 1 1  -46   30    5 o   72.649   21.244  2425.82  1332.45   0.0000   0.0000  2425.82  1332.45  ?   ?    72.649   21.244 0.000000 21.24444 
1 1 1  -46   30    6 o  270.391   19.351 32502.19  4220.43 41391.80  9984.30 30568.22  4656.94  250.777   50.775  258.437   22.415 -7.659851 55.50233 
1 1 1  -46   30    7 o  206.665   19.022 19112.62  3156.10 15345.59  7803.65 19849.29  3450.94  136.543   51.538  208.997   20.604 -72.45403 55.50343 
1 1 1  -46   30    8 o  208.037   18.867 19503.10  3152.29 14778.58  7618.08 20479.17  3462.63  130.515   50.503  211.454   20.422 -80.93939 54.47593 
1 1 1  -46   30    9 o  141.893   18.187  9150.28  2047.10 10107.70  6037.02  9025.89  2176.02  112.895   44.582  139.646   19.741 -26.75088 48.75749 
1 1 1  -46   30   10 o   85.090   21.310  3545.80  1469.10 -1725.7100  5387.81  3969.22  1526.96   68.225   32.855   90.230   21.201 -22.00558 39.10141 
1 1 1  -46   30   11 o   58.569   21.139  1584.43  1287.67  8839.57  5791.40  1207.11  1320.72   98.494   41.757   54.332   21.027 44.16232 46.75229 
1 1 1  -46   30   12 o   69.623   22.072  2530.32  1400.13  4100.13  6056.35  2441.69  1439.12   77.413   36.587   68.309   22.439 9.103508 42.91977 
1 1 1  -46   30   13 o  160.768   21.615 13451.97  2750.16  8668.93  7029.78 14316.29  2988.33   80.877   38.565  163.324   23.185 -82.44646 44.99823 
1 1 1  -46   30   14 o   53.252   21.055  1423.66  1348.06 -4317.8281  5273.60  1825.07  1394.39   53.034   26.709   57.623   21.777 -4.588867 34.46163 
1 1 1  -46   30   15 f   87.403   25.978  5294.55  1978.67 -6160.0518  6975.34  6296.92  2063.43   51.636   26.442   96.960   25.769 -45.32337 36.92134 
1 1 1  -46   30   16 o   54.190   22.124  2045.08  1540.15 -945.7140  7583.64  2173.74  1572.93   50.958   26.185   55.207   22.429 -4.249527 34.47727 
1 1 1  -46   32    1 o   79.081   32.774  2400.92  3446.33   0.0000   0.0000  2400.92  3446.33  ?   ?    79.081   32.774 0.000000 32.77438 
1 1 1  -46   32    2 f  125.715   41.432  9876.89  4904.84   0.0000   0.0000  9876.89  4904.84  ?   ?   125.715   41.432 0.000000 41.43190 
1 1 1  -46   32    3 o   86.089   24.112  3592.64  1752.56   0.0000   0.0000  3592.64  1752.56  ?   ?    86.089   24.112 0.000000 24.11176 
1 1 1  -46   32    4 f  211.493   22.331 20811.94  3776.76   0.0000   0.0000 20811.94  3776.76  ?   ?   211.493   22.331 0.000000 22.33068 
1 1 1  -46   32    5 o  159.999   21.690 11962.11  2745.18   0.0000   0.0000 11962.11  2745.18  ?   ?   159.999   21.690 0.000000 21.68996 
1 1 1  -46   32    6 o  115.541   23.327  6497.18  2112.99   0.0000   0.0000  6497.18  2112.99  ?   ?   115.541   23.327 0.000000 23.32652 
1 1 1  -46   32    7 o  108.941   22.428  5789.68  1917.76  247.862  7479.01  6179.70  1984.10   79.896   38.534  112.596   22.489 -32.69934 44.61673 
1 1 1  -46   32    8 o   35.080   16.130 -546.5395  1054.07  718.007  6292.02 -583.0534  1069.18   75.822   36.247   35.101   16.178 40.72190 39.69314 
1 1 1  -46   32    9 o   68.167   21.436  2330.39  1322.94  4301.92  6520.99  2245.76  1351.04   81.638   38.393   66.949   21.729 14.68900 44.11581 
1 1 1  -46   32   10 o   97.471   22.731  4973.92  1765.95 -6555.3281  7112.71  5731.32  1823.04   62.042   31.217  105.720   21.955 -43.67783 38.16454 
1 1 1  -46   32   11 o   82.637   23.883  3857.38  1692.81  1905.33  6654.63  3992.43  1750.39   69.098   33.977   83.634   24.319 -14.53580 41.78344 
1 1 1  -46   32   12 o  100.589   24.871  6007.12  2019.93 -5443.1460  7163.52  6996.17  2105.36   57.405   29.157  110.047   24.219 -52.64161 37.90389 
1 1 1  -46   32   13 o   34.976   16.483 -619.8873  1213.42  3792.93  6485.75 -779.9505  1235.23   62.302   31.125   34.406   16.338 27.89600 35.15210 
1 1 1  -46   32   14 o   59.508   23.330  2498.47  1642.15   71.936  7190.30  2632.00  1686.73   53.798   27.493   60.494   23.664 -6.695526 36.27475 
1 1 1  -46   34    1 o   81.709   27.977  3506.01  2234.48   0.0000   0.0000  3506.01  2234.48  ?   ?    81.709   27.977 0.000000 27.97721 
1 1 1  -46   34    2 o   44.522   20.133 -370.8098  1556.75   0.0000   0.0000 -370.8098  1556.75  ?   ?    44.522   20.133 0.000000 20.13293 
1 1 1  -46   34    3 o   70.847   25.924  2464.92  1946.37   0.0000   0.0000  2464.92  1946.37  ?   ?    70.847   25.924 0.000000 25.92443 
1 1 1  -46   34    4 o   90.939   26.856  4458.29  2120.03   0.0000   0.0000  4458.29  2120.03  ?   ?    90.939   26.856 0.000000 26.85579 
1 1 1  -46   34    5 f   98.504   26.124  5210.73  2123.64   0.0000   0.0000  5210.73  2123.64  ?   ?    98.504   26.124 0.000000 26.12422 
1 1 1  -46   34    6 o   80.567   25.307  3525.73  1844.38   0.0000   0.0000  3525.73  1844.38  ?   ?    80.567   25.307 0.000000 25.30664 
1 1 1  -46   34    7 o   47.531   20.830  312.448  1537.31 11864.36  9562.61   5.9718  1557.57   89.571   43.292   45.617   20.423 43.95454 47.86748 
1 1 1  -46   34    8 o   45.404   19.300  509.140  1242.62  1285.94  9219.77  494.768  1254.06   72.067   36.162   45.401   19.346 26.66601 41.01182 
1 1 1  -46   34    9 o   60.961   23.654  1998.29  1674.71  2892.99  9575.08  1970.06  1700.93   69.960   35.327   60.699   23.759 9.260532 42.57302 
1 1 1  -46   34   10 o   88.670   25.872  4963.69  1978.14  5969.43  8524.31  4906.44  2033.65   68.571   34.458   87.128   26.436 -18.55747 43.43062 
1 1 1  -46   34   11 f   50.171   22.038  1048.29  1729.77 12498.85 10942.94  754.844  1751.80   66.370   33.917   48.360   21.655 18.00984 40.24076 
1 1 1  -46   34   12 o   64.908   25.851  3378.16  2045.92  4982.33 10181.63  3310.66  2088.52   57.539   29.591   64.025   25.903 -6.485996 39.32690 
1 1 1  -46   36    1 o   42.918   20.427 -1402.6920  1953.16   0.0000   0.0000 -1402.6920  1953.16  ?   ?    42.918   20.427 0.000000 20.42727 
1 1 1  -46   36    2 o   64.283   27.258  1905.52  2468.51   0.0000   0.0000  1905.52  2468.51  ?   ?    64.283   27.258 0.000000 27.25792 
1 1 1  -46   36    3 o   69.137   27.435  2693.18  2296.41   0.0000   0.0000  2693.18  2296.41  ?   ?    69.137   27.435 0.000000 27.43475 
1 1 1  -46   36    4 o   57.735   24.474  1369.70  1989.11   0.0000   0.0000  1369.70  1989.11  ?   ?    57.735   24.474 0.000000 24.47417 
1 1 1  -46   36    5 o   74.968   27.507  3555.56  2193.37   0.0000   0.0000  3555.56  2193.37  ?   ?    74.968   27.507 0.000000 27.50690 
1 1 1  -46   36    6 o   58.201   23.713  1727.37  1764.63   0.0000   0.0000  1727.37  1764.63  ?   ?    58.201   23.713 0.000000 23.71291 
1 1 1  -46   36    7 o   59.512   24.684  1995.64  1957.07   0.0000   0.0000  1995.64  1957.07  ?   ?    59.512   24.684 0.000000 24.68372 
1 1 1  -46   36    8 f  110.025   30.014  8777.93  2755.65 27017.21 14971.44  8138.35  2803.55   70.696   36.331  102.664   31.015 -31.96839 47.76920 
1 1 1  -46   36    9 o   87.325   29.287  6207.53  2448.15  780.315 14272.71  6372.04  2484.98   58.560   30.330   88.175   29.507 -29.61525 42.31554 
1 1 1  -46   38    1 o   39.215   19.428 -3100.5779  2322.00   0.0000   0.0000 -3100.5779  2322.00  ?   ?    39.215   19.428 0.000000 19.42816 
1 1 1  -46   38    2 o   62.047   28.155  2452.08  3075.85   0.0000   0.0000  2452.08  3075.85  ?   ?    62.047   28.155 0.000000 28.15545 
1 1 1  -45    1    1 o  941.699   67.979 381338.19 51629.29 381338.19 51629.29   0.0000   0.0000  941.699   67.979  ?   ?  0.000000 67.97899 
1 1 1  -45    1    4 o  329.596   23.407 44669.07  6223.51   0.0000   0.0000 44669.07  6223.51  ?   ?   329.596   23.407 0.000000 23.40713 
1 1 1  -45    1    5 o  389.959   27.524 62802.04  8659.11   0.0000   0.0000 62802.04  8659.11  ?   ?   389.959   27.524 0.000000 27.52409 
1 1 1  -45    1    7 o  480.877   34.106 96715.84 13230.38   0.0000   0.0000 96715.84 13230.38  ?   ?   480.877   34.106 0.000000 34.10566 
1 1 1  -45    1    8 o  209.903   11.707 18002.32  1987.24 19726.41  2833.52 16333.41  2787.82  219.169   16.034  199.100   17.420 20.06911 23.67561 
1 1 1  -45    1    9 o  379.932   15.122 58965.26  4664.96 64870.86  8147.09 56084.58  5690.09  395.491   25.506  369.397   19.036 26.09457 31.82655 
1 1 1  -45    1   10 o  569.384   21.962 133553.09 10153.70 138749.50 17657.78 130986.00 12410.79  570.863   38.317  561.714   27.211 9.148926 46.99615 
1 1 1  -45    1   11 o   59.060   7.3434  1440.57  344.549  1725.68  393.050  494.475  715.994   64.685   7.6304   41.165   15.593 23.51990 17.36013 
1 1 1  -45    1   12 o  118.521   5.9703  5725.61  572.714  4794.77  809.907  6656.61  809.973  108.089   9.3192  127.649   7.8528 -19.56046 12.18667 
1 1 1  -45    1   13 o  212.459   8.1865 18383.62  1412.25 18550.47  1991.61 18214.88  2002.87  212.778   11.571  210.809   11.748 1.968903 16.48941 
1 1 1  -45    1   14 o  409.247   14.719 68817.91  4891.19 69337.94  6916.21 68297.59  6918.15  407.799   20.958  404.632   21.130 3.166595 29.76114 
1 1 1  -45    1   15 o   63.218   6.6095  1645.02  334.254  1433.79  488.675  1830.74  458.208   58.296   10.719   66.420   8.7059 -8.123280 13.80890 
1 1 1  -45    1   16 o  209.582   8.4812 17953.29  1443.27 16774.28  2035.94 19144.30  2046.29  201.420   12.511  215.454   11.741 -14.03357 17.15729 
1 1 1  -45    1   17 o  158.405   7.2914 10261.41  937.821 10417.37  1327.43 10105.98  1325.14  158.697   10.358  156.256   10.505 2.440750 14.75334 
1 1 1  -45    1   18 o  242.418   9.2270 24246.11  1816.20 24811.51  2562.25 23675.17  2574.77  242.988   13.034  237.097   13.430 5.890686 18.71485 
1 1 1  -45    1   19 o   48.017   7.6127  971.751  286.906  1135.82  397.944  794.158  414.026   51.463   9.8825   42.803   11.616 8.660816 15.25122 
1 1 1  -45    1   20 f   55.083   7.8054  1278.85  339.336  1232.01  473.004  1328.52  487.093   53.094   11.318   55.198   11.250 -2.103615 15.95763 
1 1 1  -45    1   21 o   45.898   10.328  924.518  375.591  1024.52  506.468  802.313  559.870   47.828   12.792   43.042   13.989 4.786263 18.95620 
1 1 1  -45    1   22 o   56.302   9.0329  1370.88  398.980  1867.67  539.210  769.791  593.120   65.270   10.533   42.112   14.414 23.15801 17.85249 
1 1 1  -45    1   23 o   90.214   7.6899  3462.74  557.908  2992.52  779.123  3957.58  799.266   81.100   12.210   94.635   10.583 -13.53555 16.15822 
1 1 1  -45    1   24 f   77.164   8.9564  2632.58  550.729  2847.56  781.608  2420.60  776.119   77.106   12.943   69.938   14.153 7.168205 19.17868 
1 1 1  -45    1   25 o   43.699   10.897  933.008  385.328  899.349  516.925  975.099  578.056   41.397   13.441   42.553   14.232 -1.156162 19.57551 
1 1 1  -45    3    1 o  427.601   22.185 74886.77  7676.15 77222.56 10849.68 72545.77 10861.77  432.434   31.108  418.815   32.187 13.61829 44.76248 
1 1 1  -45    3    2 o  639.165   33.680 168728.70 17417.41 185309.80 24294.34 151192.91 24984.02  665.469   45.230  597.905   51.980 67.56335 68.90310 
1 1 1  -45    3    3 o  410.954   29.028 69690.30  9623.93 69690.30  9623.93   0.0000   0.0000  410.954   29.028  ?   ?  0.000000 29.02846 
1 1 1  -45    3    4 o  272.132   20.219 30416.08  4435.79 30416.08  4435.79   0.0000   0.0000  272.132   20.219  ?   ?  0.000000 20.21930 
1 1 1  -45    3    5 o  299.362   15.067 36617.24  3650.56 38108.21  5226.82 35197.29  5100.83  304.461   21.277  292.481   21.632 11.98029 30.34213 
1 1 1  -45    3    6 f  592.438   28.740 144828.00 13825.24 146981.20 19615.74 142702.70 19488.56  590.560   41.165  581.673   41.536 8.886780 58.47919 
1 1 1  -45    3    7 o  183.216   14.602 13779.11  2154.21   0.0000   0.0000 13779.11  2154.21  ?   ?   183.216   14.602 0.000000 14.60183 
1 1 1  -45    3    8 o  309.741   22.501 39637.14  5620.43   0.0000   0.0000 39637.14  5620.43  ?   ?   309.741   22.501 0.000000 22.50137 
1 1 1  -45    3    9 f  157.330   13.669 10175.90  1728.82   0.0000   0.0000 10175.90  1728.82  ?   ?   157.330   13.669 0.000000 13.66902 
1 1 1  -45    3   10 o  458.664   22.428 86739.44  8352.74   0.0000   0.0000 86739.44  8352.74  ?   ?   458.664   22.428 0.000000 22.42831 
1 1 1  -45    3   11 o  438.094   31.730 81070.99 11210.48   0.0000   0.0000 81070.99 11210.48  ?   ?   438.094   31.730 0.000000 31.73004 
1 1 1  -45    3   12 o  181.068   10.477 13414.50  1533.77   0.0000   0.0000 13414.50  1533.77  ?   ?   181.068   10.477 0.000000 10.47709 
1 1 1  -45    3   13 o  417.070   20.506 72046.59  6944.28   0.0000   0.0000 72046.59  6944.28  ?   ?   417.070   20.506 0.000000 20.50595 
1 1 1  -45    3   14 o   37.795   11.276  590.680  372.272   0.0000   0.0000  590.680  372.272  ?   ?    37.795   11.276 0.000000 11.27580 
1 1 1  -45    3   15 o  475.861   19.565 94432.86  7559.67 98676.90 12979.89 92254.27  9299.72  473.011   34.023  466.162   24.657 6.849365 42.01826 
1 1 1  -45    3   16 o   63.866   6.8626  1682.45  350.291  2061.24  502.373  1324.03  488.683   70.420   8.9912   55.806   11.174 14.61421 14.34262 
1 1 1  -45    3   17 o   72.191   6.1637  2142.46  357.835  1937.56  490.266  2376.06  523.476   68.104   9.0929   75.619   8.6832 -7.514122 12.57295 
1 1 1  -45    3   18 o  202.323   8.2658 16840.78  1357.91 17171.36  1909.17 16502.32  1931.77  202.679   11.650  198.484   12.043 4.194733 16.75614 
1 1 1  -45    3   19 o  101.284   6.8999  4233.54  564.064  4104.87  761.600  4389.88  839.490   98.979   9.5971  102.167   10.258 -3.188797 14.04754 
1 1 1  -45    3   20 o   55.387   7.5286  1289.97  329.801  1261.89  428.443  1330.80  516.667   54.063   10.132   55.043   11.907 -0.9799194 15.63428 
1 1 1  -45    3   21 o  130.443   7.3874  7083.83  779.222  7174.38  1049.68  6972.67  1162.98  129.938   10.027  127.287   11.372 2.650368 15.16118 
1 1 1  -45    3   22 o   29.006   10.721  300.709  334.156   68.476  446.505  596.369  503.803   27.310   11.587   37.894   13.268 -10.58354 17.61523 
1 1 1  -45    3   23 o   84.067   7.7475  3014.22  522.894  2949.18  687.614  3103.42  805.195   81.470   10.650   82.385   12.423 -0.9153442 16.36284 
1 1 1  -45    3   24 o   43.229   10.768  875.922  376.561  844.820  475.591  928.183  616.494   41.727   12.809   43.173   14.696 -1.445381 19.49458 
1 1 1  -45    3   25 o   75.929   9.1294  2640.43  551.565  2531.56  693.500  2827.85  909.918   71.067   12.473   70.579   16.218 0.4876633 20.45989 
1 1 1  -45    5    1 o  389.527   16.408 61834.30  5189.68 65159.84  6290.70 54748.45  9182.57  399.565   19.390  363.401   31.429 36.16385 36.92927 
1 1 1  -45    5    2 o  389.444   25.720 62426.85  8087.23 95144.27 11161.72 26269.33 11733.86  480.406   28.746  243.531   59.782 236.8755 66.33440 
1 1 1  -45    5    3 o  308.207   22.633 39072.61  5624.41 39072.61  5624.41   0.0000   0.0000  308.207   22.633  ?   ?  0.000000 22.63311 
1 1 1  -45    5    4 o  1199.70   92.890 671692.62 89780.86 671692.62 89780.86   0.0000   0.0000  1199.70   92.890  ?   ?  0.000000 92.89022 
1 1 1  -45    5    5 o  368.798   26.676 56240.00  7934.37 56240.00  7934.37   0.0000   0.0000  368.798   26.676  ?   ?  0.000000 26.67636 
1 1 1  -45    5    6 o  147.334   7.5376  8846.50  898.712  5552.26  1673.74 10181.04  1065.31  115.107   18.538  158.023   8.3321 -42.91666 20.32401 
1 1 1  -45    5    7 o  336.129   13.342 46059.38  3641.46 53628.39  6429.63 42485.05  4418.39  360.757   22.056  321.976   16.960 38.78104 27.82292 
1 1 1  -45    5    8 o   72.518   6.9916  2157.47  406.583   0.0000   0.0000  2157.47  406.583  ?   ?    72.518   6.9916 0.000000 6.991621 
1 1 1  -45    5    9 o  111.777   8.6627  5113.57  780.076  5784.35  1195.71  4616.50  1029.29  118.433   12.629  105.716   12.216 12.71655 17.57044 
1 1 1  -45    5   10 o  120.408   8.9259  5933.27  866.449  8509.75  1336.72  4066.39  1137.85  144.016   11.528   98.692   14.643 45.32346 18.63644 
1 1 1  -45    5   11 o  333.312   17.292 45717.29  4663.73 43184.16  6652.81 48164.96  6539.65  321.308   25.716  340.125   23.830 -18.81735 35.05978 
1 1 1  -45    5   12 f  300.017   15.396 37005.20  3738.01 44896.57  5359.21 29528.88  5216.37  329.129   20.151  265.286   24.493 63.84280 31.71713 
1 1 1  -45    5   13 o  160.775   10.735 10600.55  1393.32 11517.80  2092.16  9869.49  1867.79  166.717   15.638  154.332   15.098 12.38521 21.73728 
1 1 1  -45    5   14 o  117.288   10.758  5669.40  1013.15  6750.10  1566.73  4892.68  1328.23  127.145   15.497  107.938   15.608 19.20628 21.99469 
1 1 1  -45    5   15 o  140.041   14.534  8170.58  1628.58   0.0000   0.0000  8170.58  1628.58  ?   ?   140.041   14.534 0.000000 14.53401 
1 1 1  -45    5   16 o   21.211   10.269 -887.9977  543.691   0.0000   0.0000 -887.9977  543.691  ?   ?    21.211   10.269 0.000000 10.26877 
1 1 1  -45    5   17 f  109.739   8.9252  4979.41  788.385  4682.59  938.715  5689.99  1452.41  105.872   11.084  115.229   15.951 -9.356575 19.42427 
1 1 1  -45    5   18 o   31.129   9.5600  401.474  264.885  483.139  273.664 -810.3721  1054.20   33.738   9.5557   34.131   15.848 -0.3931618 18.50583 
1 1 1  -45    5   19 o   60.957   8.7981  1568.66  422.858  1698.14  442.056  174.309  1450.63   63.464   8.8167   47.794   20.594 15.66917 22.40236 
1 1 1  -45    5   20 o   93.296   9.3301  3668.89  697.314  3348.69  784.256  4877.63  1523.74   88.390   11.177  102.482   19.012 -14.09246 22.05379 
1 1 1  -45    5   21 o   72.379   9.9850  2252.67  571.183  2262.89  609.879  2179.67  1629.49   72.246   10.722   66.187   23.793 6.059799 26.09696 
1 1 1  -45    5   22 o   51.745   11.174  1200.20  455.740  1219.50  474.528  970.828  1635.81   52.031   11.535   52.649   22.249 -0.6186218 25.06171 
1 1 1  -45    5   23 o   25.767   11.085   38.642  418.901 -61.0259  432.785  1517.66  1667.18   24.740   10.939   54.643   22.733 -29.90336 25.22793 
1 1 1  -45    5   24 o   41.153   12.164  818.244  434.770  818.244  434.770   0.0000   0.0000   41.153   12.164  ?   ?  0.000000 12.16417 
1 1 1  -45    5   25 o   35.724   12.025  637.422  412.706  637.422  412.706   0.0000   0.0000   35.724   12.025  ?   ?  0.000000 12.02467 
1 1 1  -45    7    1 o  142.313   16.792  8373.44  1903.05   0.0000   0.0000  8373.44  1903.05  ?   ?   142.313   16.792 0.000000 16.79244 
1 1 1  -45    7    2 o  220.399   20.290 20021.71  3590.28   0.0000   0.0000 20021.71  3590.28  ?   ?   220.399   20.290 0.000000 20.29012 
1 1 1  -45    7    3 o  442.278   31.524 81198.76 11246.51 81198.76 11246.51   0.0000   0.0000  442.278   31.524  ?   ?  0.000000 31.52365 
1 1 1  -45    7    4 o  454.240   32.401 85852.84 11872.15 85852.84 11872.15   0.0000   0.0000  454.240   32.401  ?   ?  0.000000 32.40135 
1 1 1  -45    7    5 o  232.848   12.805 22153.00  2411.58 19321.98  3493.36 24730.46  3333.26  216.339   20.118  245.521   16.822 -29.18190 26.22371 
1 1 1  -45    7    6 o  105.575   7.8879  4556.71  671.296  4490.81  1026.26  4606.00  887.500  104.271   12.362  105.871   10.461 -1.600365 16.19430 
1 1 1  -45    7    7 o  664.642   27.272 182608.80 14717.74 151608.20 25604.46 197906.00 17986.06  588.339   54.208  689.536   32.125 -101.1961 63.01182 
1 1 1  -45    7    8 o  435.373   21.465 77908.90  7588.06   0.0000   0.0000 77908.90  7588.06  ?   ?   435.373   21.465 0.000000 21.46501 
1 1 1  -45    7    9 o  462.906   18.520 87889.73  6960.81 90550.51 12164.28 86594.24  8487.86  463.951   32.496  458.276   22.810 5.674561 39.70247 
1 1 1  -45    7   10 o  100.857   6.8440  4155.26  557.159  6202.47  1158.27  3538.96  635.514  122.760   11.764   92.862   8.5236 29.89748 14.52758 
1 1 1  -45    7   11 o  104.629   7.2426  4474.60  611.508  5263.63  1242.54  4222.42  702.468  112.613   13.883  101.476   8.6068 11.13737 16.33427 
1 1 1  -45    7   12 o  372.757   15.182 56994.00  4595.05 62832.46  8065.84 54188.64  5591.06  386.870   25.826  361.913   19.094 24.95657 32.11741 
1 1 1  -45    7   13 o  216.010   9.9625 19042.03  1747.36 21207.48  3172.90 18099.40  2093.41  226.125   17.415  209.953   12.334 16.17131 21.34040 
1 1 1  -45    7   14 o   93.617   8.0523  3598.77  606.127  3722.12  1357.28  3568.04  677.429   93.175   18.592   93.070   9.0800 0.1052246 20.69074 
1 1 1  -45    7   15 o  123.565   8.3773  6262.63  835.534  2070.17  1709.47  7578.55  957.727   71.850   24.471  135.928   8.7236 -64.07770 25.97978 
1 1 1  -45    7   16 o  159.576   8.9462 10466.95  1154.49 10215.51  2265.07 10555.19  1341.88  154.630   18.402  159.908   10.391 -5.278076 21.13312 
1 1 1  -45    7   17 o  179.717   9.7995 13358.24  1424.58  9439.02  2690.36 14885.30  1679.34  144.513   23.753  189.307   10.972 -44.79414 26.16521 
1 1 1  -45    7   18 o  123.785   8.9292  6359.48  891.447  4608.20  1733.86  6988.75  1039.34   99.834   21.984  129.456   9.9643 -29.62197 24.13672 
1 1 1  -45    7   19 o  144.637   9.4354  8736.24  1102.03  9585.09  2219.06  8458.35  1269.67  145.505   19.255  141.539   11.138 3.966675 22.24454 
1 1 1  -45    7   20 o  113.133   9.9128  5411.46  901.404  3850.77  1782.33  5947.84  1044.88   87.077   24.290  118.103   11.023 -31.02538 26.67433 
1 1 1  -45    7   21 o  113.792   10.046  5531.21  918.712  4865.94  2086.41  5691.23  1023.25   93.737   26.327  114.813   11.115 -21.07533 28.57773 
1 1 1  -45    7   22 o   97.186   7.3987  3978.07  579.458  4395.69  755.077  3379.75  903.778  101.162   9.2966   86.155   13.351 15.00638 16.26916 
1 1 1  -45    7   23 o   34.864   10.436  547.425  318.480  426.812  373.204  870.626  610.921   32.118   11.403   42.980   14.629 -10.86238 18.54860 
1 1 1  -45    7   24 o   57.520   17.410  1883.04  882.802   0.0000   0.0000  1883.04  882.802  ?   ?    57.520   17.410 0.000000 17.41011 
1 1 1  -45    7   25 o   39.083   15.740  840.603  767.382   0.0000   0.0000  840.603  767.382  ?   ?    39.083   15.740 0.000000 15.74010 
1 1 1  -45    9    1 f  144.111   17.231  8597.21  1976.28   0.0000   0.0000  8597.21  1976.28  ?   ?   144.111   17.231 0.000000 17.23102 
1 1 1  -45    9    2 o  306.259   25.051 38785.55  6175.08   0.0000   0.0000 38785.55  6175.08  ?   ?   306.259   25.051 0.000000 25.05147 
1 1 1  -45    9    3 o  496.516   35.708 103130.80 14299.66 103130.80 14299.66   0.0000   0.0000  496.516   35.708  ?   ?  0.000000 35.70790 
1 1 1  -45    9    4 o  230.678   12.470 21736.92  2326.95 21760.69  3401.34 21716.00  3190.39  229.980   18.368  229.928   17.214 0.5242920E-01 25.17334 
1 1 1  -45    9    5 o  322.124   16.473 42491.69  4294.13 42336.70  6155.04 42638.67  5993.81  320.036   23.858  321.352   23.126 -1.316437 33.22627 
1 1 1  -45    9    6 o  224.364   12.271 20571.61  2227.03 20877.66  3208.79 20287.19  3093.38  225.244   17.687  222.084   17.291 3.159897 24.73461 
1 1 1  -45    9    7 o  151.673   9.8735  9402.76  1209.32  6742.65  1760.61 11778.85  1663.97  127.199   17.511  169.572   12.166 -42.37312 21.32233 
1 1 1  -45    9    8 o  410.539   19.958 69211.88  6653.04   0.0000   0.0000 69211.88  6653.04  ?   ?   410.539   19.958 0.000000 19.95850 
1 1 1  -45    9    9 o  186.336   9.1504 14134.16  1384.44 10032.29  2537.36 15872.93  1652.01  154.819   20.703  197.121   10.358 -42.30193 23.14955 
1 1 1  -45    9   10 o  217.801   9.8454 19326.74  1741.14 20521.75  3180.50 18815.35  2080.60  222.878   17.721  214.387   12.001 8.491333 21.40210 
1 1 1  -45    9   11 o  167.294   8.7053 11428.82  1178.42  9630.82  2213.94 12139.59  1391.98  151.911   18.319  172.276   9.9940 -20.36589 20.86747 
1 1 1  -45    9   12 o  320.638   13.307 42094.52  3464.45 46990.66  6147.92 39816.30  4193.71  335.362   22.711  310.661   16.687 24.70093 28.18244 
1 1 1  -45    9   13 o  194.107   9.3820 15372.49  1478.68 17127.09  2757.86 14664.57  1751.77  203.101   16.876  189.015   11.468 14.08597 20.40411 
1 1 1  -45    9   14 o  141.631   8.4747  8213.60  970.118  9145.26  1949.34  7906.90  1118.46  147.814   16.525  138.719   9.9970 9.095474 19.31317 
1 1 1  -45    9   15 o  163.055   8.9147 10906.62  1175.80 11384.65  2313.81 10740.20  1365.21  164.206   17.630  161.487   10.468 2.719238 20.50360 
1 1 1  -45    9   16 o  334.573   14.569 46745.45  3957.86 44410.80  7041.11 47823.84  4785.43  313.806   27.926  335.866   17.609 -22.05981 33.01394 
1 1 1  -45    9   17 o  117.526   9.1602  5726.66  867.231  1117.38  1809.66  7100.79  988.081   61.021   24.310  130.885   9.3592 -69.86394 26.04932 
1 1 1  -45    9   18 o   36.833   13.120  504.054  494.388 -215.5303  1034.89  716.837  562.757   38.095   16.876   41.990   14.042 -3.895428 21.95388 
1 1 1  -45    9   19 o   46.603   13.229  953.676  523.918  1826.19  1434.75  819.431  562.782   63.812   22.387   43.845   14.003 19.96719 26.40611 
1 1 1  -45    9   20 o   45.167   13.808  899.280  553.297  442.020  1586.75  962.575  590.350   50.299   21.605   46.614   14.265 3.684551 25.88900 
1 1 1  -45    9   21 o   24.069   11.028 -283.1166  486.899 -3053.2180  1653.70 -20.1851  509.483   33.248   16.458   27.802   12.092 5.445807 20.42263 
1 1 1  -45    9   22 o   51.343   14.074  1245.78  604.223  756.709  1924.07  1299.28  636.418   51.964   23.016   52.265   14.492 -0.3004837 27.19818 
1 1 1  -45    9   23 o   41.096   15.116  771.544  662.933  2488.17  1774.02  492.920  714.711   61.172   24.164   37.327   15.135 23.84549 28.51260 
1 1 1  -45    9   24 o   24.327   11.407 -355.5446  568.535   0.0000   0.0000 -355.5446  568.535  ?   ?    24.327   11.407 0.000000 11.40715 
1 1 1  -45   11    1 o  373.796   29.234 58048.66  8802.24   0.0000   0.0000 58048.66  8802.24  ?   ?   373.796   29.234 0.000000 29.23430 
1 1 1  -45   11    2 o  120.952   20.299  6149.68  1922.87   0.0000   0.0000  6149.68  1922.87  ?   ?   120.952   20.299 0.000000 20.29851 
1 1 1  -45   11    3 o  234.496   15.024 22525.06  2845.53 14376.80  4285.47 28950.40  3805.52  184.236   29.654  265.544   17.752 -81.30830 34.56119 
1 1 1  -45   11    4 o  354.537   19.226 51610.74  5514.08 43599.31  7958.58 59007.03  7646.94  322.863   30.729  377.728   25.075 -54.86508 39.66161 
1 1 1  -45   11    5 f  300.786   15.718 37050.73  3825.35 38121.98  5520.62 36061.32  5305.52  303.748   22.545  295.441   22.281 8.306824 31.69682 
1 1 1  -45   11    6 o  454.767   23.157 85354.52  8522.47 79860.23 12145.55 90683.74 11961.74  435.471   34.636  465.465   31.841 -29.99448 47.04752 
1 1 1  -45   11    7 o  275.050   14.623 30986.95  3253.99 31995.93  4685.74 30047.15  4522.27  278.247   20.893  269.610   20.819 8.637085 29.49452 
1 1 1  -45   11    8 o  241.450   18.691 24066.99  3635.82   0.0000   0.0000 24066.99  3635.82  ?   ?   241.450   18.691 0.000000 18.69111 
1 1 1  -45   11    9 o  433.164   17.809 77026.67  6263.74 73877.36 11015.47 78531.58  7614.63  417.623   32.747  436.274   21.496 -18.65121 39.17202 
1 1 1  -45   11   10 o  530.043   21.400 116141.00  9210.01 119484.20 16116.11 114519.60 11223.27  526.466   37.955  523.222   26.504 3.244080 46.29353 
1 1 1  -45   11   11 o  276.541   11.846 31245.93  2659.91 31480.34  4792.41 31141.57  3197.64  274.745   21.658  275.307   14.354 -0.5617371 25.98310 
1 1 1  -45   11   12 o  223.437   10.444 20384.59  1894.81 18574.11  3491.34 21140.49  2255.95  210.595   20.685  226.970   12.287 -16.37433 24.05864 
1 1 1  -45   11   13 f  200.755   9.6868 16459.39  1579.01 15850.06  2980.48 16697.13  1861.75  194.481   19.122  201.655   11.417 -7.173370 22.27071 
1 1 1  -45   11   14 o   72.499   9.2610  2182.99  532.713  4070.33  1328.47  1821.36  581.515   97.566   17.408   65.737   11.302 31.82922 20.75491 
1 1 1  -45   11   15 o   21.698   9.8932 -246.4214  385.589 -571.5348  1131.65 -203.7192  410.130   37.842   17.134   23.083   10.395 14.75972 20.04105 
1 1 1  -45   11   16 o  107.699   9.2760  4806.43  803.249  3676.14  1736.79  5113.98  905.964   89.685   23.549  110.892   10.175 -21.20708 25.65330 
1 1 1  -45   11   17 o   94.412   9.6590  3723.91  730.027  2372.48  1644.13  4055.78  814.748   72.619   23.990   98.369   10.356 -25.74996 26.13029 
1 1 1  -45   11   18 o  148.918   9.5911  9252.29  1153.55 10404.42  2360.11  8890.65  1322.25  151.861   19.597  145.212   11.303 6.649628 22.62361 
1 1 1  -45   11   19 o  204.654   11.125 17731.33  1841.78 16417.58  3551.95 18214.45  2153.97  183.411   24.461  205.952   12.946 -22.54147 27.67538 
1 1 1  -45   11   20 o  164.242   10.548 11490.67  1399.23 10827.38  2880.48 11695.52  1600.79  144.546   25.473  164.530   12.067 -19.98471 28.18684 
1 1 1  -45   11   21 o   53.921   13.966  1347.95  616.365  656.001  1891.13  1430.19  651.965   52.605   23.077   55.393   14.372 -2.787670 27.18653 
1 1 1  -45   11   22 o  117.545   13.557  6377.96  1270.15  7094.71  2633.21  6160.62  1449.98  100.209   30.010  112.614   16.334 -12.40536 34.16705 
1 1 1  -45   11   23 o   46.225   17.004  1096.99  838.891 -163.7824  2330.08  1284.75  899.189   45.643   21.882   48.980   17.666 -3.337074 28.12374 
1 1 1  -45   11   24 o   35.225   14.824  478.541  721.251   0.0000   0.0000  478.541  721.251  ?   ?    35.225   14.824 0.000000 14.82383 
1 1 1  -45   13    1 o  646.313   48.001 179249.00 25010.49   0.0000   0.0000 179249.00 25010.49  ?   ?   646.313   48.001 0.000000 48.00131 
1 1 1  -45   13    2 o  282.411   24.792 33082.94  5627.40   0.0000   0.0000 33082.94  5627.40  ?   ?   282.411   24.792 0.000000 24.79163 
1 1 1  -45   13    3 o  196.409   10.768 15752.15  1710.72 12590.83  3114.10 17118.53  2047.32  173.627   22.627  204.593   12.382 -30.96609 25.79337 
1 1 1  -45   13    4 o  135.403   10.583  7509.65  1154.23  5230.90  1843.06  8980.07  1480.51  111.078   21.208  147.917   12.443 -36.83862 24.58892 
1 1 1  -45   13    5 o  598.651   32.149 149958.91 15570.04 123481.10 22215.44 175522.20 21828.38  530.238   52.280  641.087   42.169 -110.8488 67.16727 
1 1 1  -45   13    6 o  473.022   24.552 92670.54  9397.40 84622.32 13437.79 100374.00 13146.85  446.139   37.442  488.338   33.356 -42.19904 50.14443 
1 1 1  -45   13    7 o  221.391   13.388 20084.19  2395.33 16110.78  3520.40 23509.54  3268.60  196.416   22.479  238.964   16.956 -42.54765 28.15644 
1 1 1  -45   13    8 o  340.110   25.214 48255.19  6913.47   0.0000   0.0000 48255.19  6913.47  ?   ?   340.110   25.214 0.000000 25.21405 
1 1 1  -45   13    9 o  536.948   20.882 119053.90  9104.27 124440.30 15997.27 116473.50 11072.27  538.445   36.811  528.766   25.789 9.679077 44.94581 
1 1 1  -45   13   10 o  175.515   8.7688 12549.19  1249.67 14729.66  2503.78 11825.80  1442.14  188.645   16.512  169.936   10.503 18.70886 19.56967 
1 1 1  -45   13   11 o  203.585   12.892 17034.28  2120.02 12848.03  3285.86 20019.65  2774.82  173.923   23.899  220.173   15.623 -46.25064 28.55269 
1 1 1  -45   13   12 o  218.482   9.4644 19483.11  1678.98 27327.57  3216.83 16546.03  1968.36  257.167   15.478  200.641   12.139 56.52565 19.67029 
1 1 1  -45   13   13 o  222.411   10.672 20253.96  1927.34 17182.91  3658.48 21433.70  2267.51  200.698   22.858  228.164   12.285 -27.46602 25.94991 
1 1 1  -45   13   14 o  123.673   8.7114  6287.40  869.188  5147.38  1925.65  6579.09  974.060  108.017   22.678  126.365   9.5642 -18.34804 24.61216 
1 1 1  -45   13   15 o   17.662   8.6335 -774.5235  410.432   83.182  1291.70 -870.8438  432.865   45.853   19.588   17.775   8.7254 28.07768 21.44363 
1 1 1  -45   13   16 o  138.747   9.2512  7971.65  1036.25  8063.27  2265.57  7947.42  1165.29  134.083   21.539  138.160   10.465 -4.077194 23.94667 
1 1 1  -45   13   17 o  161.648   9.5739 10867.74  1251.00 13531.47  2673.38 10120.91  1415.55  174.540   19.180  155.245   11.307 19.29524 22.26505 
1 1 1  -45   13   18 o   82.184   11.098  2884.31  721.632  1017.16  1835.41  3225.72  784.839   58.582   24.062   86.871   11.402 -28.28949 26.62654 
1 1 1  -45   13   19 o   40.250   14.472  628.777  602.910 -892.0715  1729.21  839.246  643.277   43.742   20.306   44.534   15.012 -0.7911606 25.25266 
1 1 1  -45   13   20 o   38.702   14.136  580.534  578.295  1566.36  1598.54  432.088  620.309   59.187   23.070   36.780   14.361 22.40657 27.17440 
1 1 1  -45   13   21 o   28.430   12.730 -148.4009  605.363 -5260.9932  2060.98  334.333  633.297   32.635   16.469   35.028   14.231 -2.392776 21.76572 
1 1 1  -45   13   22 o   23.198   11.032 -575.1339  567.449 -1938.2040  1853.72 -434.2006  596.063   37.383   18.289   25.062   11.729 12.32067 21.72685 
1 1 1  -45   13   23 o   42.049   16.089  876.441  767.001  206.697  2733.41  933.682  799.105   46.785   22.737   42.967   16.426 3.817627 28.04996 
1 1 1  -45   13   24 o   57.392   18.551  2208.29  985.480   0.0000   0.0000  2208.29  985.480  ?   ?    57.392   18.551 0.000000 18.55149 
1 1 1  -45   15    1 o   67.244   21.490  1817.92  1325.28   0.0000   0.0000  1817.92  1325.28  ?   ?    67.244   21.490 0.000000 21.49017 
1 1 1  -45   15    2 o  167.534   11.917 11494.77  1610.53   0.0000   0.0000 11494.77  1610.53  ?   ?   167.534   11.917 0.000000 11.91707 
1 1 1  -45   15    3 o  429.235   19.888 75609.98  6931.52 55275.36 12270.08 85140.83  8400.30  357.826   43.099  454.159   22.853 -96.33340 48.78252 
1 1 1  -45   15    4 o  140.114   9.9952  8033.47  1129.68  7892.83  2076.93  8092.55  1346.23  137.432   19.131  140.398   11.922 -2.965973 22.54159 
1 1 1  -45   15    5 o  124.382   10.677  6348.83  1067.83  4930.68  1744.34  7198.81  1350.44  107.748   20.690  132.229   12.735 -24.48090 24.29553 
1 1 1  -45   15    6 o  158.584   11.583 10309.38  1481.22  8155.71  2307.50 11818.78  1931.76  139.220   21.072  169.479   14.168 -30.25851 25.39180 
1 1 1  -45   15    7 o   96.476   10.629  3839.64  818.806  1503.12  1400.40  5053.35  1009.31   63.599   22.129  110.732   11.388 -47.13243 24.88697 
1 1 1  -45   15    8 o  240.969   13.919 23832.96  2711.78 24865.49  4030.11 22978.66  3665.81  244.635   20.477  235.400   19.350 9.234680 28.17358 
1 1 1  -45   15    9 o   70.630   11.408  2087.98  631.964  213.100  1172.49  2855.69  750.275   45.883   19.074   82.857   11.459 -36.97327 22.25172 
1 1 1  -45   15   10 o  429.925   17.415 76181.73  6079.20 75165.76 10855.67 76645.92  7337.67  418.497   32.194  429.760   21.028 -11.26337 38.45261 
1 1 1  -45   15   11 f  389.066   18.721 62720.30  5914.10 70471.45  8707.74 56083.32  8057.63  407.582   26.455  362.759   27.562 44.82336 38.20375 
1 1 1  -45   15   12 o  235.158   10.480 22629.36  2001.10 23869.39  3838.68 22166.63  2344.93  238.266   20.028  232.031   12.492 6.234848 23.60437 
1 1 1  -45   15   13 o  157.379   8.8877 10162.95  1131.09  9504.04  2381.77 10354.82  1285.26  148.924   20.220  158.635   10.030 -9.711349 22.57068 
1 1 1  -45   15   14 o  128.366   8.7736  6786.80  908.981  7479.43  2085.33  6624.33  1009.98  131.015   20.256  126.563   9.9071 4.451233 22.54915 
1 1 1  -45   15   15 o   60.359   11.536  1559.84  544.750   43.289  1609.16  1756.14  578.933   50.010   21.619   64.132   11.542 -14.12199 24.50758 
1 1 1  -45   15   16 o  196.296   10.429 16045.59  1656.26 16327.05  3419.80 15959.34  1893.09  189.588   22.665  194.972   12.017 -5.383728 25.65307 
1 1 1  -45   15   17 o   64.789   12.623  1829.37  640.162  1840.97  1853.68  1827.80  682.130   66.562   25.120   64.501   13.460 2.060379 28.49834 
1 1 1  -45   15   18 o  170.959   10.445 12326.09  1442.93 11354.04  3204.75 12573.26  1615.99  149.005   27.501  171.897   11.647 -22.89206 29.86596 
1 1 1  -45   15   19 o   72.964   13.177  2369.51  751.950  2904.08  2221.30  2300.33  799.130   74.036   27.586   71.347   14.293 2.689415 31.06891 
1 1 1  -45   15   20 o   39.824   14.377  644.568  595.738 -374.8725  2247.05  721.641  617.847   50.039   23.200   41.439   14.677 8.599762 27.45247 
1 1 1  -45   15   21 o   21.854   10.580 -823.5812  577.028 -3029.6499  2397.40 -687.9223  594.505   40.479   19.997   23.242   11.119 17.23761 22.88058 
1 1 1  -45   15   22 o   43.306   17.264  845.366  913.210 -420.5869  2336.33  1073.66  992.140   45.277   21.761   46.497   18.160 -1.220387 28.34331 
1 1 1  -45   15   23 o   47.223   17.323  1307.28  869.874 -368.9492  3203.32  1440.73  903.837   44.439   22.149   48.987   17.705 -4.548164 28.35587 
1 1 1  -45   17    1 o  351.230   19.935 50829.25  5661.79   0.0000   0.0000 50829.25  5661.79  ?   ?   351.230   19.935 0.000000 19.93507 
1 1 1  -45   17    2 o  397.634   20.678 65194.56  6653.24   0.0000   0.0000 65194.56  6653.24  ?   ?   397.634   20.678 0.000000 20.67819 
1 1 1  -45   17    3 o  113.490   10.003  5286.00  912.390  6081.29  1868.42  5036.97  1045.52  120.114   19.851  110.518   11.835 9.595901 23.11128 
1 1 1  -45   17    4 o  481.255   22.047 95549.86  8615.08 76478.34 15150.67 104663.00 10473.04  417.999   45.368  501.593   25.802 -83.59381 52.19183 
1 1 1  -45   17    5 o  151.732   12.347  9458.49  1508.02  6201.69  2486.79 11352.71  1896.53  119.909   26.268  166.036   14.204 -46.12704 29.86266 
1 1 1  -45   17    6 o   70.015   12.042  2057.10  659.874  366.084  1217.48  2760.49  785.209   48.246   19.681   81.332   12.272 -33.08654 23.19365 
1 1 1  -45   17    7 o  240.682   19.365 24030.57  3752.46   0.0000   0.0000 24030.57  3752.46  ?   ?   240.682   19.365 0.000000 19.36540 
1 1 1  -45   17    8 o  354.411   19.481 52029.07  5584.44 49483.07  8208.07 54223.22  7619.87  341.034   29.945  358.930   26.329 -17.89514 39.87404 
1 1 1  -45   17    9 o  124.690   11.423  6406.73  1143.69  5921.23  1934.92  6667.43  1417.88  117.778   21.003  126.762   14.010 -8.983955 25.24697 
1 1 1  -45   17   10 o   77.347   13.852  2529.01  838.021 -195.8812  1560.02  3634.28  993.548   48.735   21.177   93.163   13.530 -44.42826 25.13030 
1 1 1  -45   17   11 o   50.632   8.4413  1074.04  334.819 -149.1638  1218.97  1173.85  348.213   43.139   18.733   52.998   8.3697 -9.859047 20.51736 
1 1 1  -45   17   12 o  164.229   9.1064 11070.13  1209.57  9597.12  2587.41 11482.06  1368.29  148.931   22.064  167.052   10.135 -18.12154 24.28065 
1 1 1  -45   17   13 o   13.704   6.8392 -822.1345  309.684   39.900  1126.40 -892.6225  322.096   42.755   18.279   13.755   6.8812 29.00031 19.53134 
1 1 1  -45   17   14 o  171.753   9.4938 12187.07  1318.85 12193.05  2873.39 12185.47  1484.45  165.884   21.866  171.335   10.724 -5.451019 24.35428 
1 1 1  -45   17   15 o  122.373   9.3541  6220.65  922.409  7021.06  2312.47  6069.21  1005.90  123.035   24.010  120.553   10.377 2.482300 26.15635 
1 1 1  -45   17   16 o   55.793   12.787  1363.40  566.878  2011.95  1834.31  1294.91  596.056   68.492   25.151   54.230   13.570 14.26200 28.57830 
1 1 1  -45   17   17 o   55.522   13.563  1370.03  606.180  3158.64  1943.23  1177.21  638.016   79.561   26.072   51.457   14.596 28.10468 29.87956 
1 1 1  -45   17   18 o   93.702   11.263  3777.81  839.766  1561.54  2371.34  4095.61  897.957   64.669   27.025   97.459   11.574 -32.79061 29.39937 
1 1 1  -45   17   19 o  107.128   10.740  4950.73  921.662  3376.64  2413.55  5219.45  997.237   76.163   28.681  109.642   11.367 -33.47887 30.85125 
1 1 1  -45   17   20 o   40.837   15.405  664.671  696.994   69.528  2470.83  716.123  726.499   52.419   24.312   41.934   15.746 10.48585 28.96600 
1 1 1  -45   17   21 o   53.785   19.315  1548.97  1073.63  1274.39  2839.32  1594.78  1159.74   55.488   25.845   54.253   19.987 1.235424 32.67213 
1 1 1  -45   17   22 o   35.439   15.999  102.501  978.201  1277.43  3038.68 -33.3345  1033.20   50.570   24.432   35.062   16.065 15.50738 29.24089 
1 1 1  -45   17   23 o   36.977   16.129  573.215  912.234   0.0000   0.0000  573.215  912.234  ?   ?    36.977   16.129 0.000000 16.12929 
1 1 1  -45   19    1 o  483.039   25.407 97097.89  9929.85   0.0000   0.0000 97097.89  9929.85  ?   ?   483.039   25.407 0.000000 25.40688 
1 1 1  -45   19    2 o  366.932   21.153 55708.62  6275.42   0.0000   0.0000 55708.62  6275.42  ?   ?   366.932   21.153 0.000000 21.15258 
1 1 1  -45   19    3 o  671.739   28.430 188685.00 15506.54 179988.20 27458.69 192757.09 18789.41  630.860   54.130  673.601   34.469 -42.74091 64.17265 
1 1 1  -45   19    4 o  543.345   24.076 122566.60 10622.01 112144.70 18788.90 127462.00 12877.32  503.164   46.515  550.736   28.898 -47.57214 54.76091 
1 1 1  -45   19    5 o  381.324   18.779 59897.27  5814.25 51708.42 10294.62 63732.86  7045.55  345.396   37.300  391.615   22.249 -46.21851 43.43137 
1 1 1  -45   19    6 o  264.510   20.981 29134.86  4469.26   0.0000   0.0000 29134.86  4469.26  ?   ?   264.510   20.981 0.000000 20.98139 
1 1 1  -45   19    7 o  358.807   20.353 53496.67  5905.09 49287.42  8799.46 56945.37  7964.90  338.448   32.417  367.133   26.906 -28.68497 42.12844 
1 1 1  -45   19    8 o  121.777   12.439  6134.16  1212.71  4749.76  2183.37  6751.79  1458.35  104.231   25.910  127.453   14.341 -23.22122 29.61410 
1 1 1  -45   19    9 o  206.342   14.230 17594.77  2369.55 15728.20  3774.17 18809.23  3044.33  191.588   24.846  212.342   17.822 -20.75334 30.57717 
1 1 1  -45   19   10 o  202.224   23.212 17514.59  3742.33 17514.59  3742.33   0.0000   0.0000  202.224   23.212  ?   ?  0.000000 23.21197 
1 1 1  -45   19   11 o   79.563   8.4172  2616.93  535.515  2434.70  1939.54  2631.97  557.173   76.711   26.066   79.737   8.7496 -3.025894 27.49573 
1 1 1  -45   19   12 o   79.590   8.4510  2624.01  537.785  6414.13  1931.26  2305.41  559.932  121.070   20.369   74.340   9.4931 46.72973 22.47243 
1 1 1  -45   19   13 o  103.064   8.9012  4399.15  737.585  1268.57  2076.54  4851.15  789.038   65.190   26.019  108.227   9.0623 -43.03699 27.55190 
1 1 1  -45   19   14 o  124.198   8.7782  6387.65  879.532  7985.02  2479.74  6157.77  940.692  131.458   24.121  121.699   9.5976 9.759125 25.95989 
1 1 1  -45   19   15 o   79.010   10.052  2633.68  630.240  5055.10  1974.86  2359.11  665.014  103.013   24.048   74.315   11.383 28.69780 26.60608 
1 1 1  -45   19   16 o   54.944   12.921  1332.35  566.789  412.341  1933.87  1418.80  592.822   54.961   23.730   56.667   13.140 -1.705856 27.12514 
1 1 1  -45   19   17 o   43.034   14.812  764.800  626.641  1746.73  2113.67  670.176  656.140   65.177   26.167   41.644   15.080 23.53337 30.20161 
1 1 1  -45   19   18 o   89.343   11.473  3471.92  813.076  1776.70  2625.56  3651.74  855.112   65.645   27.982   91.495   11.784 -25.85075 30.36222 
1 1 1  -45   19   19 o   78.186   14.174  2814.69  866.688  6528.53  2769.33  2411.45  912.528   98.881   31.002   70.988   16.190 27.89320 34.97465 
1 1 1  -45   19   20 o   55.284   19.645  1606.18  1107.84  1414.59  2451.03  1655.37  1241.95   56.603   25.460   55.792   20.659 0.8115120 32.78698 
1 1 1  -45   19   21 o   53.290   20.204  1670.56  1202.64  3014.90  3318.31  1467.27  1290.36   58.499   27.472   50.907   20.443 7.592052 34.24321 
1 1 1  -45   19   22 o   28.871   13.953 -814.5941  993.189 -3477.8669  3427.71 -570.5013  1037.70   39.735   20.181   30.771   14.713 8.964617 24.97491 
1 1 1  -45   21    1 o  275.618   17.852 31379.74  3973.67   0.0000   0.0000 31379.74  3973.67  ?   ?   275.618   17.852 0.000000 17.85194 
1 1 1  -45   21    2 o  357.854   21.106 53164.95  6105.61   0.0000   0.0000 53164.95  6105.61  ?   ?   357.854   21.106 0.000000 21.10630 
1 1 1  -45   21    3 o  363.626   20.532 54865.76  6037.46   0.0000   0.0000 54865.76  6037.46  ?   ?   363.626   20.532 0.000000 20.53247 
1 1 1  -45   21    4 o  231.530   14.436 22063.16  2700.41 15920.86  5208.72 24320.93  3157.96  189.970   35.060  242.737   16.114 -52.76616 38.58564 
1 1 1  -45   21    5 o  221.701   16.190 20328.76  2894.28   0.0000   0.0000 20328.76  2894.28  ?   ?   221.701   16.190 0.000000 16.19003 
1 1 1  -45   21    6 o  161.133   13.808 10731.52  1789.13  7824.95  3309.42 11931.81  2126.70  132.697   31.234  169.564   15.622 -36.86719 34.92313 
1 1 1  -45   21    7 o  481.429   26.899 98799.99 10472.71 92242.17 15425.71 104407.10 14263.73  449.229   42.808  485.482   36.451 -36.25232 56.22422 
1 1 1  -45   21    8 o  501.663   27.979 108594.30 11351.48 102153.10 16605.98 114244.30 15552.59  466.337   44.391  501.696   38.472 -35.35855 58.74261 
1 1 1  -45   21    9 o   71.535   16.275  2210.19  924.024  632.115  1951.39  2666.29  1049.09   60.130   24.767   78.560   16.945 -18.42977 30.00880 
1 1 1  -45   21   10 o  206.245   14.765 17784.48  2456.18 16666.49  4012.46 18454.45  3106.13  193.817   26.165  208.402   18.550 -14.58545 32.07374 
1 1 1  -45   21   11 o  273.779   17.635 31868.58  3899.44 29048.18  6081.02 33838.25  5081.81  250.518   30.526  278.110   22.702 -27.59175 38.04259 
1 1 1  -45   21   12 o  254.590   13.338 27168.65  2747.68 21858.35  5813.82 28695.91  3117.87  209.760   35.395  260.735   14.788 -50.97522 38.35987 
1 1 1  -45   21   13 o   71.109   9.8764  2130.21  554.848  1266.26  2277.55  2184.72  572.084   66.054   26.929   71.980   10.063 -5.926529 28.74804 
1 1 1  -45   21   14 o   30.442   11.586  281.533  396.464 -1597.7791  2002.81  358.179  404.468   45.282   21.290   32.231   11.814 13.05095 24.34798 
1 1 1  -45   21   15 o   89.282   9.9806  3365.18  711.156  5993.78  2510.99  3135.94  741.517  107.817   28.318   85.844   10.883 21.97347 30.33702 
1 1 1  -45   21   16 o   44.708   13.645  874.079  540.625  2099.38  2480.34  812.964  553.944   69.774   28.228   43.472   13.894 26.30133 31.46236 
1 1 1  -45   21   17 o   64.526   12.734  1857.01  643.496  2816.66  2810.54  1803.92  661.056   73.355   29.911   63.349   13.276 10.00636 32.72526 
1 1 1  -45   21   18 o   69.761   13.397  2215.54  731.265  1421.99  3040.10  2264.27  753.385   62.995   28.343   70.389   13.675 -7.393631 31.46911 
1 1 1  -45   21   19 o   41.695   18.004  368.871  1113.31  3453.25  3103.58 -86.6335  1192.69   68.852   29.894   38.990   17.628 29.86222 34.70465 
1 1 1  -45   21   20 o   39.259   17.497  231.466  1129.22  346.938  3342.31  216.587  1199.77   51.993   25.239   39.888   17.887 12.10436 30.93480 
1 1 1  -45   21   21 o   34.546   15.905 -26.7847  1029.50  7869.18  3784.23 -657.8851  1069.85   67.220   30.780   31.173   14.914 36.04689 34.20275 
1 1 1  -45   23    1 o  255.654   17.861 27148.64  3684.31   0.0000   0.0000 27148.64  3684.31  ?   ?   255.654   17.861 0.000000 17.86090 
1 1 1  -45   23    2 o   54.156   16.134  1224.78  762.567   0.0000   0.0000  1224.78  762.567  ?   ?    54.156   16.134 0.000000 16.13394 
1 1 1  -45   23    3 o  205.227   15.868 17467.05  2623.59   0.0000   0.0000 17467.05  2623.59  ?   ?   205.227   15.868 0.000000 15.86754 
1 1 1  -45   23    4 f  206.821   16.038 17766.76  2672.31   0.0000   0.0000 17766.76  2672.31  ?   ?   206.821   16.038 0.000000 16.03847 
1 1 1  -45   23    5 o  187.790   13.113 14568.06  1986.93 16607.83  4178.91 13972.23  2258.56  195.463   27.056  183.316   15.314 12.14711 31.08938 
1 1 1  -45   23    6 o   51.925   15.690  1127.02  717.392  2110.78  1900.51  963.555  774.705   73.483   25.767   49.416   16.475 24.06692 30.58348 
1 1 1  -45   23    7 o  267.233   18.100 30036.69  3904.27 25907.82  6434.15 32443.02  4911.95  237.806   34.315  275.447   22.150 -37.64067 40.84256 
1 1 1  -45   23    8 o  266.681   17.398 29972.66  3746.68 29436.72  6141.29 30290.40  4728.62  255.205   30.224  265.115   22.170 -9.909729 37.48335 
1 1 1  -45   23    9 o  153.495   14.365  9904.31  1769.50  7369.30  3337.90 10895.19  2086.87  123.952   32.694  160.305   16.258 -36.35287 36.51360 
1 1 1  -45   23   10 o   43.242   15.999  637.230  744.513  1684.13  1901.84  447.757  809.085   67.626   25.461   41.495   16.342 26.13078 30.25406 
1 1 1  -45   23   11 o   98.495   15.641  4197.16  1209.10  4126.95  2728.28  4214.32  1348.79   92.958   30.913   97.943   17.608 -4.984589 35.57616 
1 1 1  -45   23   12 o  199.337   10.044 16509.60  1620.37 17406.58  4063.92 16340.04  1766.90  192.202   26.767  197.836   11.043 -5.634216 28.95566 
1 1 1  -45   23   13 o   56.583   10.142  1369.82  448.834  808.944  2444.12  1389.40  456.599   63.227   26.976   56.968   10.248 6.259502 28.85688 
1 1 1  -45   23   14 o   66.496   10.424  1891.11  544.300  2704.12  3330.24  1868.80  551.719   78.765   32.389   66.023   10.654 12.74171 34.09592 
1 1 1  -45   23   15 o  132.975   9.8647  7454.94  1057.51 12392.14  3720.06  7020.88  1103.02  149.859   31.569  128.630   10.657 21.22899 33.31931 
1 1 1  -45   23   16 o  190.947   11.661 15687.81  1799.25 14908.89  4940.56 15806.91  1931.91  144.072   40.530  190.841   12.537 -46.76883 42.42507 
1 1 1  -45   23   17 o   35.153   13.543  417.892  545.937 -386.7609  3332.33  440.085  553.414   57.497   27.163   35.655   13.660 21.84144 30.40486 
1 1 1  -45   23   18 o   56.574   21.373  1650.01  1342.87  7570.05  3784.79  797.421  1436.32   89.761   35.346   48.633   20.713 41.12833 40.96804 
1 1 1  -45   23   19 o   42.174   18.642  405.949  1255.93  6739.60  4030.35 -275.2259  1321.74   73.680   32.930   38.207   17.742 35.47306 37.40544 
1 1 1  -45   23   20 o   45.742   19.214  1110.71  1208.14  6418.11  4535.14  705.294  1253.44   60.500   29.376   42.395   18.687 18.10470 34.81607 
1 1 1  -45   25    1 o  191.592   16.786 15382.18  2585.01   0.0000   0.0000 15382.18  2585.01  ?   ?   191.592   16.786 0.000000 16.78608 
1 1 1  -45   25    2 o  101.307   17.160  4386.61  1361.15   0.0000   0.0000  4386.61  1361.15  ?   ?   101.307   17.160 0.000000 17.15994 
1 1 1  -45   25    3 o  393.470   23.434 66347.68  7452.88   0.0000   0.0000 66347.68  7452.88  ?   ?   393.470   23.434 0.000000 23.43400 
1 1 1  -45   25    4 o  225.247   17.291 21339.30  3138.28   0.0000   0.0000 21339.30  3138.28  ?   ?   225.247   17.291 0.000000 17.29108 
1 1 1  -45   25    5 o  138.774   14.249  8072.55  1582.75  6210.89  3794.43  8464.69  1741.48  114.579   36.336  141.780   15.374 -27.20094 39.45454 
1 1 1  -45   25    6 o  105.317   14.800  4706.08  1230.66  5187.47  3422.17  4634.58  1318.90  105.385   34.602  104.094   16.126 1.290520 38.17490 
1 1 1  -45   25    7 f  191.849   14.978 15484.06  2314.73  9596.11  4699.52 17370.03  2659.74  136.850   39.863  202.619   16.305 -65.76871 43.06863 
1 1 1  -45   25    8 o  220.831   17.048 20780.57  3033.22 19285.37  5534.84 21422.38  3626.25  198.003   35.742  222.061   20.338 -24.05751 41.12290 
1 1 1  -45   25    9 o  158.160   15.160 10639.95  1922.94 12508.71  3968.09 10066.41  2198.31  160.645   31.547  152.339   18.128 8.305801 36.38457 
1 1 1  -45   25   10 o   76.107   18.009  2590.96  1095.58  2907.08  2493.52  2515.34  1219.60   80.903   29.383   74.564   19.808 6.338509 35.43592 
1 1 1  -45   25   11 o  164.061   15.622 11607.96  2055.84 13817.07  4247.28 10932.02  2349.41  164.167   33.007  157.176   18.781 6.990952 37.97662 
1 1 1  -45   25   12 o   86.297   8.9169  3115.86  615.795  1205.51  3288.17  3185.30  626.886   71.254   30.854   87.245   8.9774 -15.99094 32.13330 
1 1 1  -45   25   13 o  184.709   10.598 14359.69  1582.84 12465.27  4795.31 14591.33  1676.82  140.607   40.062  185.840   11.164 -45.23363 41.58826 
1 1 1  -45   25   14 o   81.741   9.8410  2841.39  640.033 -4362.0142  3208.21  3139.96  653.163   48.306   23.720   86.106   9.5004 -37.80035 25.55224 
1 1 1  -45   25   15 o   58.942   11.713  1537.14  540.828  2158.57  3194.76  1518.81  548.748   70.117   30.387   58.488   11.958 11.62902 32.65525 
1 1 1  -45   25   16 o   74.156   22.015  2907.97  1421.71  1642.62  4011.20  3089.76  1520.42   66.909   31.013   75.799   22.827 -8.890305 38.50794 
1 1 1  -45   25   17 o   24.282   11.905 -1347.0850  797.963 -6099.5830  4031.26 -1153.2800  814.071   46.555   23.434   25.617   12.440 20.93839 26.53169 
1 1 1  -45   25   18 o   69.918   23.208  3104.68  1537.98  1093.47  4997.01  3315.14  1616.45   57.433   28.462   71.512   23.795 -14.07905 37.09897 
1 1 1  -45   25   19 o   51.293   21.034  1665.08  1399.78 -12171.1797  5216.80  2738.53  1453.07   40.508   20.850   62.287   22.459 -21.77961 30.64563 
1 1 1  -45   27    1 f  191.248   17.868 15552.79  2742.49   0.0000   0.0000 15552.79  2742.49  ?   ?   191.248   17.868 0.000000 17.86784 
1 1 1  -45   27    2 o  125.458   17.122  6735.02  1698.66   0.0000   0.0000  6735.02  1698.66  ?   ?   125.458   17.122 0.000000 17.12230 
1 1 1  -45   27    3 o  307.118   20.662 40607.86  5122.60   0.0000   0.0000 40607.86  5122.60  ?   ?   307.118   20.662 0.000000 20.66238 
1 1 1  -45   27    4 o  185.661   16.813 14650.30  2507.00   0.0000   0.0000 14650.30  2507.00  ?   ?   185.661   16.813 0.000000 16.81253 
1 1 1  -45   27    5 o   90.411   16.847  3556.91  1191.22  3351.75  3601.20  3582.11  1262.28   90.451   34.801   90.414   17.828 0.3682709E-01 39.10151 
1 1 1  -45   27    6 o   85.290   30.400  3210.68  2654.73  240.641  3507.02  7196.43  4062.67   71.411   31.374  118.251   37.609 -46.83981 48.97717 
1 1 1  -45   27    7 o  222.144   16.757 21127.99  3000.30 19771.43  6478.93 21498.32  3385.15  189.752   43.040  222.541   18.913 -32.78835 47.01268 
1 1 1  -45   27    8 o  123.569   16.206  6608.40  1586.83  4873.24  3991.74  6934.08  1729.34   98.941   36.958  126.073   17.354 -27.13150 40.82907 
1 1 1  -45   27    9 o   78.911   18.056  2801.67  1131.84  6648.58  3310.83  2292.59  1204.40  112.427   33.646   70.973   20.027 41.45380 39.15547 
1 1 1  -45   27   10 o  172.868   16.627 13046.58  2305.01 16156.48  5152.58 12268.50  2577.28  169.620   38.316  165.426   19.567 4.194061 43.02291 
1 1 1  -45   27   11 o  219.921   18.314 21577.96  3240.55 20626.60  6110.55 21950.21  3822.32  183.394   41.946  217.706   21.921 -34.31160 47.32881 
1 1 1  -45   27   12 o  107.290   19.134  5326.81  1605.73  3521.55  3732.43  5736.81  1778.75   82.963   34.222  110.392   20.602 -27.42899 39.94486 
1 1 1  -45   27   13 o   50.506   10.605  1116.02  421.072 -1262.0880  4076.28  1141.67  423.336   62.566   29.701   51.113   10.550 11.45361 31.51883 
1 1 1  -45   27   14 o   29.184   11.172  268.666  369.949 -925.7195  3629.09  281.208  371.887   59.014   28.017   29.494   11.222 29.52025 30.18116 
1 1 1  -45   27   15 o   52.429   20.839  1157.14  1326.94  2785.66  4574.13  1007.50  1386.56   70.687   32.884   51.329   20.978 19.35811 39.00615 
1 1 1  -45   27   16 o  113.464   22.413  7074.32  1991.65  3288.44  5086.23  7759.94  2164.49   66.984   32.171  117.387   23.528 -50.40332 39.85686 
1 1 1  -45   27   17 o   53.390   21.522  1593.88  1436.19 -538.1201  4735.92  1809.80  1507.16   53.887   26.870   55.455   22.155 -1.567524 34.82599 
1 1 1  -45   27   18 o   60.178   23.207  2708.15  1604.25 -3348.4409  5290.78  3321.37  1683.50   47.032   23.997   65.602   24.094 -18.57010 34.00587 
1 1 1  -45   29    1 o  118.434   20.015  6195.20  1856.15   0.0000   0.0000  6195.20  1856.15  ?   ?   118.434   20.015 0.000000 20.01509 
1 1 1  -45   29    2 o   36.178   15.602 -29.6545  833.968   0.0000   0.0000 -29.6545  833.968  ?   ?    36.178   15.602 0.000000 15.60187 
1 1 1  -45   29    3 o   42.169   17.390  295.309  963.402   0.0000   0.0000  295.309  963.402  ?   ?    42.169   17.390 0.000000 17.38959 
1 1 1  -45   29    4 o   84.990   20.330  3265.27  1384.09   0.0000   0.0000  3265.27  1384.09  ?   ?    84.990   20.330 0.000000 20.33003 
1 1 1  -45   29    5 f   75.082   32.911  756.785  3839.31   0.0000   0.0000  756.785  3839.31  ?   ?    75.082   32.911 0.000000 32.91076 
1 1 1  -45   29    6 o  200.170   18.595 17550.24  2987.78 13709.84  7283.26 18327.29  3276.13  141.447   50.359  203.356   20.104 -61.90808 54.22392 
1 1 1  -45   29    7 o   73.315   20.242  2463.37  1244.58  3938.80  4343.88  2331.42  1299.04   91.836   37.286   71.340   21.009 20.49564 42.79740 
1 1 1  -45   29    8 o   26.108   12.546 -1070.0480  775.927 -3645.3730  4106.43 -974.6952  790.161   59.862   28.791   27.046   12.906 32.81612 31.55122 
1 1 1  -45   29    9 o   73.102   19.625  2484.84  1189.33  3584.38  4344.97  2395.78  1236.56   86.850   36.458   71.633   20.321 15.21751 41.73860 
1 1 1  -45   29   10 o   51.162   19.101  1011.25  1065.99  2889.50  4479.46  898.493  1097.52   81.910   35.735   50.040   19.222 31.86988 40.57660 
1 1 1  -45   29   11 o   42.826   18.061  307.493  1074.36 13343.15  4767.25 -389.9897  1102.73  141.454   39.820   37.253   16.886 104.2013 43.25242 
1 1 1  -45   29   12 o  154.380   18.867 11192.21  2315.83 12755.18  5736.80 10887.93  2531.24  119.101   44.341  149.408   21.483 -30.30698 49.27154 
1 1 1  -45   29   13 o   98.534   21.698  4960.85  1689.03  5799.38  5419.65  4870.64  1777.56   83.067   37.564   96.263   23.048 -13.19545 44.07095 
1 1 1  -45   29   14 o   29.567   14.253 -1217.9100  1019.93 -4781.3989  4889.73 -1055.8180  1042.87   53.799   26.899   30.842   14.748 22.95675 30.67652 
1 1 1  -45   29   15 o   47.113   20.255  749.464  1397.12 -4471.7061  5177.87  1159.44  1450.94   52.332   26.370   50.954   21.204 1.378414 33.83710 
1 1 1  -45   29   16 o   44.799   19.937  622.054  1460.35 -4334.0840  5460.54  1003.84  1515.56   49.692   25.261   47.890   20.842 1.802002 32.74929 
1 1 1  -45   29   17 o   27.099   13.569 -2444.1970  1264.88 -1035.4520  5606.18 -2519.7561  1298.36   48.673   24.822   27.338   13.697 21.33538 28.35052 
1 1 1  -45   31    1 o   93.505   24.780  4146.48  1911.62   0.0000   0.0000  4146.48  1911.62  ?   ?    93.505   24.780 0.000000 24.77999 
1 1 1  -45   31    2 o  256.959   44.479 38175.07  8944.13   0.0000   0.0000 38175.07  8944.13  ?   ?   256.959   44.479 0.000000 44.47877 
1 1 1  -45   31    3 o   87.705   36.380  3188.69  4251.75   0.0000   0.0000  3188.69  4251.75  ?   ?    87.705   36.380 0.000000 36.38038 
1 1 1  -45   31    4 o  146.877   20.608  9757.32  2390.08   0.0000   0.0000  9757.32  2390.08  ?   ?   146.877   20.608 0.000000 20.60829 
1 1 1  -45   31    5 o  137.822   20.757  8665.25  2250.81   0.0000   0.0000  8665.25  2250.81  ?   ?   137.822   20.757 0.000000 20.75717 
1 1 1  -45   31    6 o  220.625   19.988 22005.13  3541.70 23987.72  9470.27 21682.76  3818.81  161.808   57.444  216.709   22.008 -54.90036 61.51561 
1 1 1  -45   31    7 o  163.622   19.320 12166.58  2517.28 12816.39  7775.73 12090.50  2660.56  120.993   49.591  161.859   20.720 -40.86629 53.74555 
1 1 1  -45   31    8 o  122.602   20.109  7008.00  1932.41 -1404.8400  6390.61  7854.64  2027.31   74.965   36.020  130.149   19.809 -55.18427 41.10732 
1 1 1  -45   31    9 o   84.459   20.352  3437.50  1379.20  2501.56  5577.89  3498.44  1423.40   80.245   36.973   84.936   20.804 -4.691315 42.42462 
1 1 1  -45   31   10 o   93.758   21.450  4359.69  1597.56 -1543.4550  6230.81  4775.07  1652.81   69.896   34.050   98.379   21.308 -28.48293 40.16740 
1 1 1  -45   31   11 o   53.702   20.704  1229.34  1276.70 -2764.6399  5192.67  1486.31  1317.13   61.508   30.198   56.854   21.231 4.653988 36.91458 
1 1 1  -45   31   12 o   65.879   22.550  2333.24  1451.65 -6894.7861  6081.12  2890.87  1494.86   56.517   28.491   72.695   22.775 -16.17865 36.47477 
1 1 1  -45   31   13 o   36.107   16.762 -483.1733  1178.50  8759.72  6184.38 -831.4616  1200.50   78.685   37.122   34.385   16.263 44.29967 40.52758 
1 1 1  -45   31   14 o   49.698   20.815  1146.57  1411.07  2781.00  7070.04  1078.76  1440.05   61.363   30.907   49.237   20.845 12.12605 37.27943 
1 1 1  -45   31   15 f   54.313   22.306  1911.52  1577.05  9991.46  6459.39  1399.36  1626.26   64.385   31.985   50.135   21.704 14.25026 38.65353 
1 1 1  -45   33    1 f  181.638   24.292 15723.14  3492.93   0.0000   0.0000 15723.14  3492.93  ?   ?   181.638   24.292 0.000000 24.29197 
1 1 1  -45   33    2 o   68.058   25.212  2044.06  1850.10   0.0000   0.0000  2044.06  1850.10  ?   ?    68.058   25.212 0.000000 25.21196 
1 1 1  -45   33    3 o   70.408   24.889  2316.76  1776.05   0.0000   0.0000  2316.76  1776.05  ?   ?    70.408   24.889 0.000000 24.88935 
1 1 1  -45   33    4 o   59.751   23.297  1376.68  1630.55   0.0000   0.0000  1376.68  1630.55  ?   ?    59.751   23.297 0.000000 23.29657 
1 1 1  -45   33    5 o   44.768   19.263  200.316  1265.52   0.0000   0.0000  200.316  1265.52  ?   ?    44.768   19.263 0.000000 19.26321 
1 1 1  -45   33    6 o   51.631   21.076  808.157  1397.34   0.0000   0.0000  808.157  1397.34  ?   ?    51.631   21.076 0.000000 21.07612 
1 1 1  -45   33    7 o   64.095   22.395  1973.67  1435.09  1265.72  8746.35  1993.26  1454.81   80.715   39.539   64.358   22.545 16.35654 45.51467 
1 1 1  -45   33    8 o   88.526   24.749  4195.52  1848.22  5311.95  8216.09  4136.02  1896.84   83.737   40.387   87.380   25.289 -3.642883 47.65134 
1 1 1  -45   33    9 o   66.403   22.778  2298.48  1481.32  8431.59  7766.82  2066.97  1509.02   85.762   40.795   63.641   22.894 22.12061 46.78004 
1 1 1  -45   33   10 f   78.922   24.544  3573.97  1739.80 10904.40  7788.29  3188.96  1784.91   85.088   40.579   74.091   25.007 10.99725 47.66512 
1 1 1  -45   33   11 o   62.023   24.007  2197.18  1721.81 14255.38  7298.62  1486.55  1771.82   87.172   40.874   55.838   23.350 31.33391 47.07355 
1 1 1  -45   33   12 o   74.852   25.124  3703.14  1801.59  1357.69  7598.50  3842.85  1854.47   61.063   30.909   75.758   25.490 -14.69473 40.06335 
1 1 1  -45   33   13 o   66.048   24.677  3165.91  1779.95  1137.51  9161.14  3245.49  1814.53   56.611   29.075   66.501   24.902 -9.889786 38.28143 
1 1 1  -45   35    1 o   57.061   24.635  767.183  2083.70   0.0000   0.0000  767.183  2083.70  ?   ?    57.061   24.635 0.000000 24.63467 
1 1 1  -45   35    2 o  116.088   30.170  7697.34  2869.94   0.0000   0.0000  7697.34  2869.94  ?   ?   116.088   30.170 0.000000 30.17042 
1 1 1  -45   35    3 f  162.805   27.250 14142.70  3474.87   0.0000   0.0000 14142.70  3474.87  ?   ?   162.805   27.250 0.000000 27.24959 
1 1 1  -45   35    4 f  104.143   29.016  6278.76  2545.00   0.0000   0.0000  6278.76  2545.00  ?   ?   104.143   29.016 0.000000 29.01640 
1 1 1  -45   35    5 o   99.241   27.995  5706.73  2353.70   0.0000   0.0000  5706.73  2353.70  ?   ?    99.241   27.995 0.000000 27.99465 
1 1 1  -45   35    6 o  135.344   26.236 10125.49  2779.13   0.0000   0.0000 10125.49  2779.13  ?   ?   135.344   26.236 0.000000 26.23612 
1 1 1  -45   35    7 o  126.118   26.911  9186.56  2671.84   0.0000   0.0000  9186.56  2671.84  ?   ?   126.118   26.911 0.000000 26.91117 
1 1 1  -45   35    8 f   67.216   25.438  2704.34  1904.41  6185.29 11231.31  2601.29  1932.39   71.817   36.481   66.179   25.484 5.637863 44.50050 
1 1 1  -45   35    9 o   44.783   19.551  494.270  1343.00 -2339.0020 10782.03  538.920  1353.54   62.785   32.201   45.229   19.690 17.55554 37.74375 
1 1 1  -45   35   10 o   50.868   21.087  1273.45  1427.11 -13735.4502 11796.22  1496.39  1437.67   55.636   28.746   52.972   21.470 2.664131 35.87889 
1 1 1  -45   35   11 f   31.952   15.471 -1164.3300  1235.34 -9692.8018 12527.56 -1080.5850  1241.39   53.789   27.877   32.411   15.649 21.37834 31.96863 
1 1 1  -45   37    1 o   47.702   22.331 -569.1962  2163.39   0.0000   0.0000 -569.1962  2163.39  ?   ?    47.702   22.331 0.000000 22.33097 
1 1 1  -45   37    2 o   64.347   27.703  2199.59  2620.16   0.0000   0.0000  2199.59  2620.16  ?   ?    64.347   27.703 0.000000 27.70264 
1 1 1  -45   37    3 o   82.764   30.288  4869.08  2656.74   0.0000   0.0000  4869.08  2656.74  ?   ?    82.764   30.288 0.000000 30.28759 
1 1 1  -45   37    4 o   45.402   21.174 -392.2316  1915.01   0.0000   0.0000 -392.2316  1915.01  ?   ?    45.402   21.174 0.000000 21.17363 
1 1 1  -45   37    5 o   72.379   28.441  3743.73  2445.48   0.0000   0.0000  3743.73  2445.48  ?   ?    72.379   28.441 0.000000 28.44070 
1 1 1  -45   37    6 o   78.277   29.438  4793.06  2541.06   0.0000   0.0000  4793.06  2541.06  ?   ?    78.277   29.438 0.000000 29.43822 
1 1 1  -45   37    7 o   68.018   27.838  3665.55  2445.71   0.0000   0.0000  3665.55  2445.71  ?   ?    68.018   27.838 0.000000 27.83765 
1 1 1  -44    0    4 o  338.676   24.310 47449.00  6605.98 47449.00  6605.98   0.0000   0.0000  338.676   24.310  338.676   24.310 0.000000 0.000000 
1 1 1  -44    0    5 o  347.346   24.992 49945.28  6964.73   0.0000   0.0000 49945.28  6964.73  347.346   24.992  347.346   24.992 -0.000000 0.000000 
1 1 1  -44    0    7 o  169.103   14.594 11888.55  1969.48 11888.55  1969.48   0.0000   0.0000  169.103   14.594  169.103   14.594 0.000000 0.000000 
1 1 1  -44    0    8 o   66.265   14.058  2008.03  665.114  2008.03  665.114   0.0000   0.0000   66.265   14.058   66.265   14.058 0.000000 0.000000 
1 1 1  -44    0    9 o  807.098   57.713 277856.91 37377.20   0.0000   0.0000 277856.91 37377.20  807.098   57.713  807.098   57.713 -0.000000 0.000000 
1 1 1  -44    0   10 o  191.662   11.193 15087.36  1728.33 17134.59  2361.73 12726.81  2536.02  203.671   14.448  173.838   18.493 -0.000000 0.000000 
1 1 1  -44    0   11 o   35.505   17.893  754.528  637.419   0.0000   0.0000  754.528  637.419   35.505   17.893   35.505   17.893 -0.000000 0.000000 
1 1 1  -44    0   12 o  228.575   11.966 21429.24  2206.91 24836.15  3238.18 18474.25  3015.77  245.224   16.432  210.580   17.937 0.000000 0.000000 
1 1 1  -44    0   13 o   11.776   8.2418 -303.9174  294.144 -374.2082  329.434 -27.5543  653.219   12.171   8.5611   22.966   14.865 -0.000000 0.000000 
1 1 1  -44    0   14 o  211.758   12.696 18455.53  2164.91 22389.59  2945.78 13835.33  3192.35  232.716   15.755  179.559   22.915 -0.000000 0.000000 
1 1 1  -44    0   15 o   67.553   9.6616  1966.54  498.530  2355.92  575.385  794.045  998.454   74.121   10.089   38.021   21.363 -0.000000 0.000000 
1 1 1  -44    0   16 o  576.678   29.413 139434.30 13690.73 132898.91 19502.14 145784.80 19224.08  551.989   44.163  581.076   41.222 0.000000 0.000000 
1 1 1  -44    0   17 o  109.559   9.0296  4987.59  790.709  5006.68  988.965  4953.77  1316.48  109.001   11.464  106.372   16.403 -0.000000 0.000000 
1 1 1  -44    0   18 o   23.329   13.117  298.191  376.737  176.601  394.953  1525.82  1254.96   21.013   12.679   49.697   25.093 -0.000000 0.000000 
1 1 1  -44    0   19 o  206.869   11.999 17723.38  2000.02 22560.76  3226.62 14705.12  2548.71  231.404   17.399  186.125   17.202 0.000000 0.000000 
1 1 1  -44    0   20 o   97.019   10.284  3982.32  789.292  3963.67  863.327  4077.29  1948.08   96.312   11.469   84.679   30.800 -0.000000 0.000000 
1 1 1  -44    0   21 o   15.053   10.215 -194.1659  374.911 -76.1841  388.840 -1752.9430  1413.37   16.800   11.082   24.155   17.134 -0.000000 0.000000 
1 1 1  -44    0   22 o  115.261   11.100  5628.13  1016.74  5556.58  1127.09  5940.75  2356.01  113.832   12.587  104.138   31.881 -0.000000 0.000000 
1 1 1  -44    0   23 o   40.731   16.633  971.685  541.380  803.184  567.738  2660.99  1797.64   35.935   17.076   62.289   30.287 -0.000000 0.000000 
1 1 1  -44    0   24 o   32.990   16.246  688.332  519.988   0.0000   0.0000  688.332  519.988   32.990   16.246   32.990   16.246 0.000000 0.000000 
1 1 1  -44    0   25 o   23.654   14.012  290.496  465.629  290.496  465.629   0.0000   0.0000   23.654   14.012   23.654   14.012 -0.000000 0.000000 
1 1 1  -44    2    1 o  306.252   16.974 38311.30  4204.27 43307.10  5944.22 33310.42  5947.25  324.934   22.672  284.240   26.059 40.69342 34.54111 
1 1 1  -44    2    2 o  292.370   20.950 35047.84  4940.43 35047.84  4940.43   0.0000   0.0000  292.370   20.950  ?   ?  0.000000 20.94988 
1 1 1  -44    2    6 o  659.941   46.687 184529.50 24855.69   0.0000   0.0000 184529.50 24855.69  ?   ?   659.941   46.687 0.000000 46.68684 
1 1 1  -44    2    7 o  305.872   22.183 38570.36  5471.95   0.0000   0.0000 38570.36  5471.95  ?   ?   305.872   22.183 0.000000 22.18334 
1 1 1  -44    2    8 o  373.335   18.482 57045.36  5602.45   0.0000   0.0000 57045.36  5602.45  ?   ?   373.335   18.482 0.000000 18.48166 
1 1 1  -44    2    9 o  452.305   17.740 83745.89  6515.09 88899.50 11363.07 81222.02  7951.96  461.379   30.504  444.444   22.035 16.93469 37.63047 
1 1 1  -44    2   10 o  259.298   11.421 27402.19  2404.67 23853.05  4262.84 29058.68  2912.27  239.674   22.156  266.479   13.504 -26.80501 25.94639 
1 1 1  -44    2   11 o  570.753   28.185 135817.00 13061.93 140612.20 18507.87 131058.40 18437.04  571.938   40.107  550.998   41.515 20.94012 57.72442 
1 1 1  -44    2   12 o  436.978   17.869 78494.86  6340.05 74371.38 11070.59 80507.29  7733.94  418.093   32.876  441.291   21.584 -23.19778 39.32808 
1 1 1  -44    2   13 o  270.073   9.6124 29738.17  2107.90 29328.71  2978.13 30149.24  2983.92  267.268   13.770  271.369   13.542 -4.100616 19.31339 
1 1 1  -44    2   14 f  132.735   6.5234  7169.38  703.062  6819.99  985.113  7532.08  1003.71  128.952   9.4748  135.592   9.1705 -6.639816 13.18599 
1 1 1  -44    2   15 f  264.907   9.8605 28675.16  2120.94 27666.59  2991.62 29694.38  3007.37  258.912   14.286  268.390   13.847 -9.477600 19.89541 
1 1 1  -44    2   16 o  355.794   13.028 52175.62  3763.82 52434.17  5315.38 51915.61  5330.35  353.503   18.584  351.652   18.736 1.850281 26.38902 
1 1 1  -44    2   17 o  128.492   6.7070  6760.49  697.320  6859.69  972.953  6655.72  999.918  128.919   9.3585  126.882   9.7812 2.037392 13.53709 
1 1 1  -44    2   18 f  154.823   7.4034  9829.87  930.689 10225.47  1301.82  9416.29  1331.06  156.867   10.278  150.257   10.986 6.609467 15.04401 
1 1 1  -44    2   19 o   36.700   9.3512  579.441  279.453  755.377  374.885  359.414  419.237   41.777   10.927   32.537   12.012 9.240719 16.23826 
1 1 1  -44    2   20 o   94.707   7.0411  3716.36  537.584  4265.42  750.817  3138.78  770.066  100.781   9.2794   85.588   11.362 15.19299 14.66959 
1 1 1  -44    2   21 o  115.528   7.4725  5558.86  697.205  5961.92  974.377  5135.98  998.041  118.381   10.238  109.208   11.424 9.173653 15.34036 
1 1 1  -44    2   22 o   42.930   10.948  823.083  382.803  516.705  480.061  1358.06  634.362   36.072   12.920   54.109   14.244 -18.03666 19.23038 
1 1 1  -44    2   23 o  131.985   7.8675  7392.94  839.312  6057.59  1148.67  8922.50  1229.37  115.773   12.413  142.482   10.705 -26.70937 16.39120 
1 1 1  -44    2   24 o   71.303   8.7434  2238.34  495.600  2275.13  659.907  2190.76  750.584   69.551   12.126   66.451   14.332 3.099289 18.77389 
1 1 1  -44    2   25 o   55.336   10.491  1455.56  454.116  1099.25  626.974  1848.76  658.628   44.816   14.815   59.373   13.906 -14.55612 20.31930 
1 1 1  -44    4    1 o   85.953   7.1522  3021.94  494.628  3219.68  563.193  2354.90  1034.38   88.669   7.9054   74.541   17.406 14.12828 19.11694 
1 1 1  -44    4    2 o  219.313   15.626 19683.59  2764.33 28821.15  3667.02  7656.33  4207.09  265.422   17.106  134.197   37.278 131.2247 41.01511 
1 1 1  -44    4    3 f  487.833   34.324 98559.89 13509.22 98559.89 13509.22   0.0000   0.0000  487.833   34.324  ?   ?  0.000000 34.32394 
1 1 1  -44    4    4 o  520.315   36.651 112567.10 15385.37 112567.10 15385.37   0.0000   0.0000  520.315   36.651  ?   ?  0.000000 36.65114 
1 1 1  -44    4    5 o  112.246   11.980  5185.09  1074.96  5185.09  1074.96   0.0000   0.0000  112.246   11.980  ?   ?  0.000000 11.97972 
1 1 1  -44    4    6 o  226.369   11.250 20854.20  2067.73 27080.04  3004.81 15254.25  2849.77  257.353   14.438  192.342   18.474 65.01100 23.44699 
1 1 1  -44    4    7 f  386.202   18.969 61032.22  5948.39 63596.68  8490.97 58560.66  8335.76  391.818   26.851  375.724   27.515 16.09442 38.44552 
1 1 1  -44    4    8 o   92.029   10.922  3496.54  800.220   0.0000   0.0000  3496.54  800.220  ?   ?    92.029   10.922 0.000000 10.92216 
1 1 1  -44    4    9 o  334.358   24.205 46335.27  6526.96   0.0000   0.0000 46335.27  6526.96  ?   ?   334.358   24.205 0.000000 24.20516 
1 1 1  -44    4   10 o  305.651   22.499 38711.20  5544.51   0.0000   0.0000 38711.20  5544.51  ?   ?   305.651   22.499 0.000000 22.49902 
1 1 1  -44    4   11 o  316.766   15.785 41090.57  4060.07   0.0000   0.0000 41090.57  4060.07  ?   ?   316.766   15.785 0.000000 15.78542 
1 1 1  -44    4   12 o  287.727   14.831 33995.88  3453.15   0.0000   0.0000 33995.88  3453.15  ?   ?   287.727   14.831 0.000000 14.83124 
1 1 1  -44    4   13 o  101.577   8.5131  4232.50  695.662   0.0000   0.0000  4232.50  695.662  ?   ?   101.577   8.5131 0.000000 8.513085 
1 1 1  -44    4   14 o  122.357   9.1059  6139.50  898.193   0.0000   0.0000  6139.50  898.193  ?   ?   122.357   9.1059 0.000000 9.105918 
1 1 1  -44    4   15 o  353.043   14.924 51384.09  4278.04 55358.63  7290.76 49297.06  5283.16  360.737   25.046  343.694   19.005 17.04327 31.44072 
1 1 1  -44    4   16 o  294.602   12.599 35764.46  3013.74 36428.35  5087.87 35405.62  3740.57  292.486   21.576  291.461   15.866 1.024475 26.78135 
1 1 1  -44    4   17 f  114.308   7.1249  5362.19  658.007  4529.73  975.915  6056.08  890.998  104.015   11.762  121.108   9.1278 -17.09311 14.88819 
1 1 1  -44    4   18 o   55.105   7.4906  1268.11  326.468  1097.99  418.323  1533.13  522.134   50.574   10.529   59.840   11.157 -9.265640 15.34061 
1 1 1  -44    4   19 o  149.215   7.3238  9159.24  887.335  8717.99  1235.71  9628.96  1274.97  144.178   10.630  151.654   10.417 -7.475189 14.88371 
1 1 1  -44    4   20 o  127.335   7.1948  6710.55  740.840  6521.89  1011.89  6928.52  1087.62  124.383   10.107  128.013   10.558 -3.629295 14.61548 
1 1 1  -44    4   21 o  170.184   8.2432 12080.74  1139.08 12201.51  1577.54 11949.19  1646.48  168.512   11.600  166.200   12.288 2.312576 16.89835 
1 1 1  -44    4   22 o   24.631   9.9337  134.727  306.112 -57.2323  364.497  594.131  563.880   23.052   10.122   38.526   13.976 -15.47419 17.25577 
1 1 1  -44    4   23 o   81.032   7.7800  2800.81  505.591  3094.33  653.107  2361.85  798.692   84.099   9.7449   70.395   14.457 13.70381 17.43488 
1 1 1  -44    4   24 o   84.430   8.4834  3121.45  573.705  2925.10  737.235  3422.93  913.494   79.119   11.840   83.695   13.932 -4.575264 18.28328 
1 1 1  -44    4   25 o   71.185   9.3009  2328.06  524.741  2161.78  640.785  2666.59  914.294   65.688   12.470   67.975   16.688 -2.287056 20.83257 
1 1 1  -44    6    1 o  491.235   35.957 100214.20 14242.55   0.0000   0.0000 100214.20 14242.55  ?   ?   491.235   35.957 0.000000 35.95738 
1 1 1  -44    6    2 o  618.135   34.520 158201.20 17256.50 195737.50 24134.65 118938.70 24683.35  683.906   43.690  525.768   58.827 158.1386 73.27658 
1 1 1  -44    6    3 o  186.745   15.430 14304.93  2318.72 14304.93  2318.72   0.0000   0.0000  186.745   15.430  ?   ?  0.000000 15.43009 
1 1 1  -44    6    4 o  314.705   23.106 40775.28  5862.88 40775.28  5862.88   0.0000   0.0000  314.705   23.106  ?   ?  0.000000 23.10551 
1 1 1  -44    6    5 o  846.437   41.686 300264.41 28649.92 295199.41 40598.31 305289.00 40436.37  822.741   61.211  838.029   59.819 -15.28876 85.58627 
1 1 1  -44    6    6 o  291.751   15.123 34814.14  3570.28 33489.66  5125.41 36062.61  4976.19  284.879   22.337  295.984   20.839 -11.10541 30.54822 
1 1 1  -44    6    7 o   78.749   5.9919  2534.36  380.260 -153.7509  757.672  3439.42  439.638   33.719   14.704   91.814   5.9289 -58.09498 15.85442 
1 1 1  -44    6    8 o  259.932   13.435 27628.48  2825.88   0.0000   0.0000 27628.48  2825.88  ?   ?   259.932   13.435 0.000000 13.43517 
1 1 1  -44    6    9 o   94.574   6.5100  3652.72  496.864  3200.82  1041.31  3785.93  565.376   87.259   15.252   96.221   7.2907 -8.961502 16.90530 
1 1 1  -44    6   10 o  523.815   25.921 113779.80 11024.56 112990.50 15666.59 114554.10 15516.65  514.805   37.743  518.797   37.079 -3.992859 52.90923 
1 1 1  -44    6   11 o  200.612   11.620 16473.55  1884.68 17124.45  2753.50 15899.81  2585.15  203.661   16.801  196.280   16.370 7.381119 23.45743 
1 1 1  -44    6   12 o   43.836   11.858  810.764  432.280 -793.7476  876.635  1326.27  496.894   30.956   14.399   56.010   11.315 -25.05445 18.31338 
1 1 1  -44    6   13 f  281.666   14.950 32652.58  3406.91 35911.16  4899.47 29601.84  4740.65  293.648   20.681  265.971   22.153 27.67780 30.30593 
1 1 1  -44    6   14 o   76.052   12.258  2427.21  731.198  719.107  1206.88  3417.82  919.086   51.712   20.076   90.434   12.881 -38.72261 23.85269 
1 1 1  -44    6   15 o  235.410   13.498 22874.88  2569.25 24086.47  3745.26 21797.87  3531.13  239.519   19.425  227.847   19.267 11.67172 27.35983 
1 1 1  -44    6   16 o  107.225   14.342  4845.62  1217.33   0.0000   0.0000  4845.62  1217.33  ?   ?   107.225   14.342 0.000000 14.34150 
1 1 1  -44    6   17 o  181.492   18.192 14151.93  2644.84   0.0000   0.0000 14151.93  2644.84  ?   ?   181.492   18.192 0.000000 18.19241 
1 1 1  -44    6   18 o   85.011   8.5861  3006.54  584.541  3094.18  658.450  2680.58  1269.86   86.001   9.5928   76.764   20.127 9.237488 22.29569 
1 1 1  -44    6   19 o  111.637   9.1647  5202.16  823.408  5331.08  958.330  4838.56  1609.42  112.504   10.616  102.632   20.032 9.871452 22.67109 
1 1 1  -44    6   20 o  155.893   10.711 10282.08  1347.58  9865.59  1628.33 11187.38  2400.68  150.974   13.423  155.872   19.387 -4.898041 23.58059 
1 1 1  -44    6   21 o  152.957   10.993 10024.83  1356.21 10651.94  1656.97  8752.07  2360.59  155.908   13.213  132.266   22.804 23.64238 26.35545 
1 1 1  -44    6   22 o   28.163   10.626  267.605  331.669  345.604  339.433 -1379.1090  1559.61   30.149   10.857   37.599   17.993 -7.449112 21.01503 
1 1 1  -44    6   23 o   86.907   9.9759  3323.85  691.194  3383.81  740.256  2915.94  1930.72   87.220   10.676   66.830   25.536 20.38961 27.67798 
1 1 1  -44    6   24 o   28.050   10.979  269.130  363.232  269.130  363.232   0.0000   0.0000   28.050   10.979  ?   ?  0.000000 10.97922 
1 1 1  -44    6   25 o   33.813   11.780  553.894  396.899  553.894  396.899   0.0000   0.0000   33.813   11.780  ?   ?  0.000000 11.77972 
1 1 1  -44    8    1 o  638.146   46.307 171937.50 23830.58   0.0000   0.0000 171937.50 23830.58  ?   ?   638.146   46.307 0.000000 46.30663 
1 1 1  -44    8    2 o  418.276   31.618 72613.67 10659.07   0.0000   0.0000 72613.67 10659.07  ?   ?   418.276   31.618 0.000000 31.61821 
1 1 1  -44    8    3 o  613.059   43.598 158457.00 21560.72 158457.00 21560.72   0.0000   0.0000  613.059   43.598  ?   ?  0.000000 43.59760 
1 1 1  -44    8    4 o  567.231   27.259 132487.20 12554.85 138336.50 17841.90 126750.20 17669.82  574.455   38.474  549.114   39.903 25.34125 55.43021 
1 1 1  -44    8    5 o  570.819   27.625 134392.20 12803.86 139206.20 18178.61 129653.00 18037.00  575.222   39.154  554.452   40.341 20.76996 56.21813 
1 1 1  -44    8    6 o  287.264   15.371 33775.44  3572.19 27422.78  5109.67 39848.47  4995.94  256.976   24.796  311.292   19.869 -54.31583 31.77495 
1 1 1  -44    8    7 o  134.129   9.2155  7353.44  997.552  4333.24  1460.05  9997.58  1366.13  101.355   18.420  156.329   10.829 -54.97400 21.36716 
1 1 1  -44    8    8 o  461.797   22.134 87722.49  8299.38   0.0000   0.0000 87722.49  8299.38  ?   ?   461.797   22.134 0.000000 22.13382 
1 1 1  -44    8    9 o  234.480   10.293 22392.30  1959.66 21438.21  3509.96 22824.40  2362.09  227.764   19.157  236.247   12.357 -8.483978 22.79663 
1 1 1  -44    8   10 o  125.857   7.4523  6465.40  758.174  4338.25  1476.97  7226.47  883.457  101.225   18.657  133.011   8.2204 -31.78627 20.38796 
1 1 1  -44    8   11 o  303.283   12.732 37577.69  3135.44 39567.20  5546.15 36643.14  3801.18  308.466   22.294  298.594   15.734 9.872406 27.28655 
1 1 1  -44    8   12 o  192.000   9.2175 15023.32  1436.99 14698.84  2641.90 15159.66  1712.47  188.213   17.487  192.405   11.007 -4.191864 20.66307 
1 1 1  -44    8   13 o  282.226   11.951 32579.69  2738.57 39541.66  4885.72 29390.20  3306.92  308.402   19.613  266.996   15.318 41.40552 24.88561 
1 1 1  -44    8   14 o  296.159   12.665 35970.80  3045.63 37801.30  5406.17 35119.73  3686.26  299.665   22.380  291.470   15.633 8.195862 27.29936 
1 1 1  -44    8   15 o  403.647   16.569 67649.63  5430.44 74997.50  9537.35 64124.62  6605.82  415.338   28.452  389.915   20.942 25.42279 35.32800 
1 1 1  -44    8   16 o   57.978   10.715  1425.57  485.823  347.129  1065.12  1708.88  545.919   44.852   18.365   63.560   10.975 -18.70741 21.39476 
1 1 1  -44    8   17 o  111.003   9.5366  5113.36  851.192  613.148  1714.72  6584.89  980.531   55.951   23.147  126.033   9.6550 -70.08270 25.08030 
1 1 1  -44    8   18 o   36.659   13.374  473.963  517.435  2375.24  1315.56  126.005  562.796   72.080   21.118   31.780   13.214 40.30037 24.91150 
1 1 1  -44    8   19 o   28.216   11.596  127.182  426.557 -274.6425  1313.91  174.522  450.984   42.190   18.833   29.653   12.023 12.53709 22.34347 
1 1 1  -44    8   20 o   60.193   13.119  1612.29  623.087  923.388  1352.87  1797.76  701.971   52.455   20.979   63.308   14.025 -10.85277 25.23520 
1 1 1  -44    8   21 o   56.235   14.969  1462.33  695.608  2931.45  1729.10  1178.66  759.803   74.121   24.608   50.790   16.276 23.33047 29.50373 
1 1 1  -44    8   22 o   50.000   15.196  1180.53  671.518  3275.67  1852.46  863.562  720.525   74.300   25.473   44.352   15.834 29.94787 29.99369 
1 1 1  -44    8   23 o   57.955   16.157  1706.20  788.845 -1252.2970  1754.74  2455.54  883.114   38.758   18.686   70.092   15.884 -31.33371 24.52515 
1 1 1  -44    8   24 o   45.161   16.872  1089.98  831.949   0.0000   0.0000  1089.98  831.949  ?   ?    45.161   16.872 0.000000 16.87157 
1 1 1  -44    8   25 o   29.608   13.544   3.8841  730.070   0.0000   0.0000   3.8841  730.070  ?   ?    29.608   13.544 0.000000 13.54359 
1 1 1  -44   10    1 o  328.310   26.125 44595.60  6906.74   0.0000   0.0000 44595.60  6906.74  ?   ?   328.310   26.125 0.000000 26.12519 
1 1 1  -44   10    2 o  292.719   24.312 35421.01  5726.08   0.0000   0.0000 35421.01  5726.08  ?   ?   292.719   24.312 0.000000 24.31170 
1 1 1  -44   10    3 o  623.599   29.337 160639.20 14854.77 157610.41 25719.97 162155.20 18196.58  604.168   52.964  622.814   36.138 -18.64594 64.11818 
1 1 1  -44   10    4 o  375.034   18.960 57683.55  5754.91 57892.63  8262.55 57486.57  8020.20  373.678   27.423  372.561   26.689 1.116791 38.26698 
1 1 1  -44   10    5 o  159.274   9.9960 10362.77  1286.19 10278.76  1893.30 10434.76  1752.71  158.025   14.933  159.403   13.674 -1.378433 20.24750 
1 1 1  -44   10    6 o  216.913   12.635 19240.56  2215.72 14188.02  3197.04 23910.46  3073.60  184.654   21.740  241.448   15.764 -56.79424 26.85373 
1 1 1  -44   10    7 o  251.302   13.755 25843.19  2795.97 23470.11  4011.54 28085.03  3899.04  238.169   20.957  261.198   18.504 -23.02844 27.95723 
1 1 1  -44   10    8 o  530.867   25.593 116599.40 11031.93   0.0000   0.0000 116599.40 11031.93  ?   ?   530.867   25.593 0.000000 25.59336 
1 1 1  -44   10    9 o  360.155   15.153 53054.50  4431.22 49384.53  7816.90 54792.28  5378.99  343.252   28.299  365.422   18.129 -22.17035 33.60786 
1 1 1  -44   10   10 o  256.989   11.624 26945.79  2425.59 24461.11  4348.77 28067.84  2922.40  242.271   22.359  261.663   13.804 -19.39246 26.27691 
1 1 1  -44   10   11 o  155.684   8.3481  9897.02  1051.44  7629.79  2010.22 10750.88  1233.64  134.833   18.879  162.158   9.4099 -27.32510 21.09433 
1 1 1  -44   10   12 o  151.270   8.1906  9347.34  1002.28 10404.17  1954.69  8970.37  1167.43  158.455   15.387  147.984   9.7708 10.47157 18.22682 
1 1 1  -44   10   13 o  135.992   8.1057  7562.92  890.981  9252.24  1789.90  7006.45  1027.30  149.292   14.967  130.657   9.7537 18.63461 17.86494 
1 1 1  -44   10   14 o  209.036   9.8735 17863.16  1675.82 20713.54  3112.83 16699.87  1988.60  222.872   17.338  201.388   12.219 21.48335 21.21087 
1 1 1  -44   10   15 o  128.242   8.3675  6750.02  866.510  6502.32  1819.61  6822.67  985.416  123.210   18.782  128.733   9.4944 -5.523232 21.04577 
1 1 1  -44   10   16 o  294.880   13.293 36160.41  3182.66 32387.31  5713.55 37857.88  3832.28  268.804   26.524  299.889   15.794 -31.08560 30.86988 
1 1 1  -44   10   17 o  121.934   9.4807  6172.03  931.269 -882.9637  1909.85  8372.73  1066.67   48.130   21.973  142.182   9.2906 -94.05157 23.85664 
1 1 1  -44   10   18 o   81.520   10.760  2815.51  694.830  2886.47  1591.06  2798.79  772.375   78.298   23.300   80.828   12.144 -2.530220 26.27483 
1 1 1  -44   10   19 o  103.367   9.7765  4497.98  810.800  2455.07  1883.36  4962.74  898.307   72.046   25.613  108.398   10.331 -36.35193 27.61798 
1 1 1  -44   10   20 f   82.224   11.738  2935.49  761.413  3200.75  1864.82  2882.42  834.109   78.308   25.534   80.815   13.165 -2.506775 28.72831 
1 1 1  -44   10   21 o  120.199   10.595  6224.41  1023.45  4683.22  2340.70  6588.69  1137.99   88.174   28.600  123.053   11.524 -34.87914 30.83455 
1 1 1  -44   10   22 o   36.034   14.397  411.870  636.439 -923.5243  1899.04  580.834  675.503   42.898   20.337   39.121   15.066 3.777119 25.31009 
1 1 1  -44   10   23 o   27.984   12.730 -189.0566  633.805  3462.16  2100.67 -554.7221  664.785   67.624   26.421   25.582   12.100 42.04233 29.06031 
1 1 1  -44   10   24 o   88.939   17.180  4399.47  1195.75   0.0000   0.0000  4399.47  1195.75  ?   ?    88.939   17.180 0.000000 17.17995 
1 1 1  -44   12    3 o  282.136   17.343 32653.19  3953.84 21972.98  5854.74 41607.90  5360.97  227.835   32.576  317.930   20.883 -90.09552 38.69466 
1 1 1  -44   12    4 f  129.627   10.157  6879.96  1060.47  4487.84  1672.74  8487.51  1371.26  102.819   20.752  143.870   11.844 -41.05117 23.89343 
1 1 1  -44   12    5 o  521.539   26.917 112700.00 11359.90 101488.90 16206.38 123529.00 15927.90  488.231   41.268  541.638   36.429 -53.40790 55.04600 
1 1 1  -44   12    6 o  186.969   11.295 14292.00  1706.61 14864.84  2514.03 13802.42  2324.16  189.964   16.462  183.109   15.786 6.854691 22.80783 
1 1 1  -44   12    7 o  332.521   17.534 45414.10  4717.39 42693.04  6764.90 47989.77  6581.67  320.072   26.261  340.169   23.982 -20.09726 35.56433 
1 1 1  -44   12    8 o  151.290   14.084  9431.04  1710.23   0.0000   0.0000  9431.04  1710.23  ?   ?   151.290   14.084 0.000000 14.08386 
1 1 1  -44   12    9 o  163.249   8.8298 10881.32  1166.06  7325.02  2247.51 12191.18  1364.00  131.546   21.806  172.719   9.7661 -41.17342 23.89284 
1 1 1  -44   12   10 o  202.996   39.872 18319.67  6337.51   0.0000   0.0000 18319.67  6337.51  ?   ?   202.996   39.872 0.000000 39.87228 
1 1 1  -44   12   11 o  360.617   14.364 53301.10  4205.77 62483.78  7494.46 49079.83  5081.33  386.497   24.000  344.590   18.226 41.90662 30.13578 
1 1 1  -44   12   12 o  167.400   8.7726 11454.70  1188.25 11470.85  2349.33 11449.15  1377.43  165.804   17.725  167.160   10.197 -1.355606 20.44913 
1 1 1  -44   12   13 o   46.457   11.375  918.593  425.662 -92.0300  1240.52  1053.46  453.176   44.090   19.021   49.747   11.456 -5.657066 22.20462 
1 1 1  -44   12   14 o  159.511   8.7953 10428.37  1134.75 12637.64  2312.76  9727.89  1302.27  173.680   16.602  153.731   10.496 19.94925 19.64153 
1 1 1  -44   12   15 o  233.895   11.143 22537.12  2116.26 22452.29  3942.16 22571.47  2508.33  228.130   21.537  232.997   13.314 -4.867035 25.31989 
1 1 1  -44   12   16 o  240.657   11.362 24005.26  2220.27 25634.79  4156.23 23354.53  2626.44  241.731   21.396  235.878   13.773 5.852936 25.44602 
1 1 1  -44   12   17 o   74.214   10.949  2337.10  639.953 -381.3338  1607.52  2849.07  697.616   46.547   20.801   82.151   10.713 -35.60376 23.39748 
1 1 1  -44   12   18 f   93.218   10.133  3661.80  754.619  2871.87  1809.29  3828.15  830.282   77.386   25.147   95.048   10.959 -17.66144 27.43165 
1 1 1  -44   12   19 o   44.725   14.036  866.657  567.489  1655.64  1356.77  699.359  624.764   60.971   21.732   41.910   14.768 19.06169 26.27515 
1 1 1  -44   12   20 o   83.846   12.702  3098.83  837.670  2813.21  2036.01  3157.03  919.060   72.973   26.543   83.982   13.968 -11.00975 29.99424 
1 1 1  -44   12   21 o   34.482   14.106  289.723  627.599 -1140.3770  1942.40  456.424  663.169   43.421   20.580   37.495   14.786 5.926304 25.34107 
1 1 1  -44   12   22 f   54.703   16.003  1485.95  755.928 -982.9181  1897.71  1951.57  824.133   41.943   20.010   62.641   16.112 -20.69740 25.69064 
1 1 1  -44   12   23 o   49.101   17.487  1299.88  878.279  1764.15  2118.85  1203.56  965.094   53.376   23.864   47.638   18.090 5.737862 29.94581 
1 1 1  -44   12   24 o   37.453   15.498  640.357  768.918   0.0000   0.0000  640.357  768.918  ?   ?    37.453   15.498 0.000000 15.49811 
1 1 1  -44   14    1 o  520.697   39.146 114573.10 16429.39   0.0000   0.0000 114573.10 16429.39  ?   ?   520.697   39.146 0.000000 39.14602 
1 1 1  -44   14    2 o  397.483   21.100 65002.95  6785.56   0.0000   0.0000 65002.95  6785.56  ?   ?   397.483   21.100 0.000000 21.10023 
1 1 1  -44   14    3 o  334.271   15.179 45623.61  4119.79 42258.31  7312.83 47188.29  4986.38  318.195   28.610  339.061   18.178 -20.86539 33.89688 
1 1 1  -44   14    4 o  280.340   15.757 32213.32  3572.06 31106.40  5311.30 33127.46  4826.72  273.707   24.146  283.241   21.140 -9.534210 32.09254 
1 1 1  -44   14    5 o  287.837   16.153 33984.75  3759.93 31493.04  5530.31 36126.49  5127.23  275.050   25.037  295.652   21.505 -20.60245 33.00502 
1 1 1  -44   14    6 o  443.570   21.947 81034.64  7904.51 87182.89 11362.31 75268.42 11003.65  455.969   30.872  422.890   32.290 33.07892 44.67317 
1 1 1  -44   14    7 o  284.205   15.522 33147.13  3568.33 33510.29  5201.09 32824.17  4904.71  284.039   22.742  281.402   21.632 2.636810 31.38693 
1 1 1  -44   14    8 o  279.849   15.785 32180.28  3572.19 28379.82  5196.14 35586.06  4918.94  260.389   24.879  293.076   20.806 -32.68686 32.43244 
1 1 1  -44   14    9 o  448.042   22.240 83125.00  8090.67 91158.63 11584.77 75475.73 11304.26  464.072   30.921  420.678   33.368 43.39386 45.49242 
1 1 1  -44   14   10 o  535.669   20.620 118749.30  8968.53 131451.59 15796.82 112707.40 10894.63  552.534   35.397  519.054   25.850 33.48053 43.83089 
1 1 1  -44   14   11 o  165.028   11.232 11179.82  1496.17  9074.05  2454.99 12424.07  1887.11  146.371   21.280  173.605   13.493 -27.23358 25.19718 
1 1 1  -44   14   12 o  246.193   11.197 24799.00  2238.33 26107.12  4241.16 24293.98  2635.21  249.320   21.150  242.908   13.413 6.412628 25.04423 
1 1 1  -44   14   13 o   49.942   10.839  1060.99  426.900  1149.28  1345.30  1051.10  450.166   58.185   21.510   49.653   11.406 8.532238 24.34702 
1 1 1  -44   14   14 o  181.299   9.9748 13526.83  1462.73 10165.36  2910.06 14663.24  1692.01  151.894   24.423  188.485   11.105 -36.59094 26.82889 
1 1 1  -44   14   15 o   58.759   11.333  1474.03  521.083  3111.36  1515.77  1254.60  554.904   83.127   22.083   53.893   12.860 29.23415 25.55445 
1 1 1  -44   14   16 o  195.423   10.204 15851.34  1613.47 17037.55  3250.71 15463.58  1858.57  196.195   20.719  192.227   11.967 3.968369 23.92674 
1 1 1  -44   14   17 f   93.412   9.9016  3662.28  739.563  4583.52  1930.47  3503.82  800.646   97.833   24.388   90.979   11.066 6.853302 26.78096 
1 1 1  -44   14   18 o   68.453   12.479  2043.27  668.070  634.538  1861.11  2251.64  715.776   55.704   23.647   71.846   12.736 -16.14178 26.85847 
1 1 1  -44   14   19 o   62.454   13.241  1740.07  650.644  212.872  1978.54  1925.26  688.963   52.882   23.385   65.720   13.366 -12.83860 26.93518 
1 1 1  -44   14   20 o   20.688   10.115 -998.0622  564.537  320.073  1533.89 -1204.5861  607.153   47.763   20.872   20.695   10.193 27.06822 23.22826 
1 1 1  -44   14   21 o   53.296   14.567  1346.63  648.350 -1697.3630  2344.37  1598.72  674.664   44.571   21.516   58.175   14.368 -13.60407 25.87242 
1 1 1  -44   14   22 o   40.293   16.628  566.590  881.698  609.081  2577.54  560.959  938.302   51.699   24.257   40.802   17.021 10.89735 29.63320 
1 1 1  -44   14   23 o   55.016   18.216  1788.22  947.728  5795.16  3028.19  1353.13  997.857   67.756   29.474   48.426   18.393 19.33031 34.74203 
1 1 1  -44   16    1 o  248.127   23.690 25588.63  4714.93   0.0000   0.0000 25588.63  4714.93  ?   ?   248.127   23.690 0.000000 23.69038 
1 1 1  -44   16    2 o  340.731   19.407 47769.29  5347.02   0.0000   0.0000 47769.29  5347.02  ?   ?   340.731   19.407 0.000000 19.40720 
1 1 1  -44   16    3 o  189.899   10.963 14739.08  1683.29 12247.81  3169.85 15717.52  1986.52  170.837   23.472  195.925   12.553 -25.08794 26.61796 
1 1 1  -44   16    4 o  153.732   9.6166  9658.76  1194.36 13161.79  2215.75  8224.08  1418.01  178.770   15.415  141.456   12.473 37.31342 19.82985 
1 1 1  -44   16    5 o  182.898   12.069 13702.45  1782.23 14369.40  2809.35 13253.25  2305.58  186.162   18.845  179.251   16.009 6.910034 24.72735 
1 1 1  -44   16    6 o  180.262   12.239 13320.25  1780.73 12038.40  2762.10 14232.00  2329.47  169.814   20.443  185.820   15.583 -16.00546 25.70490 
1 1 1  -44   16    7 o  247.891   19.641 25459.07  3920.97   0.0000   0.0000 25459.07  3920.97  ?   ?   247.891   19.641 0.000000 19.64103 
1 1 1  -44   16    8 o   75.404   11.422  2372.38  677.394  155.423  1303.31  3192.94  792.906   47.600   19.974   87.724   11.401 -40.12378 22.99870 
1 1 1  -44   16    9 o   86.520   11.437  3109.64  783.791  1584.91  1431.70  3762.17  936.612   64.730   22.383   95.139   12.421 -30.40920 25.59830 
1 1 1  -44   16   10 o  353.144   14.027 51151.96  4022.24 56505.54  7361.51 48873.48  4802.49  366.412   24.891  344.313   17.178 22.09845 30.24314 
1 1 1  -44   16   11 o  256.586   14.854 27181.13  3081.38 24946.01  4748.88 28806.49  4049.63  242.328   24.470  262.764   19.112 -20.43584 31.04908 
1 1 1  -44   16   12 o  155.422   8.1296  9883.85  1022.37 13517.94  2256.66  8945.31  1146.82  180.147   15.581  147.600   9.6217 32.54718 18.31245 
1 1 1  -44   16   13 o  281.735   11.739 32685.13  2685.50 37036.95  5083.57 31000.56  3162.84  294.456   21.409  273.095   14.313 21.36050 25.75280 
1 1 1  -44   16   14 o  211.561   10.192 18432.13  1750.84 20163.01  3513.89 17860.49  2019.36  216.012   20.271  207.345   12.046 8.667542 23.58054 
1 1 1  -44   16   15 o  133.306   9.3062  7359.60  1000.99  6956.68  2305.12  7453.23  1111.23  123.200   23.906  133.861   10.303 -10.66113 26.03134 
1 1 1  -44   16   16 o  216.163   11.023 19524.01  1928.37 20059.08  3886.03 19349.21  2221.14  209.335   23.256  214.119   12.835 -4.784119 26.56240 
1 1 1  -44   16   17 f   27.028   11.834 -82.7980  495.233 -1511.0780  1633.66   61.736  519.686   40.049   18.951   29.653   12.536 10.39596 22.72202 
1 1 1  -44   16   18 o  132.676   10.240  7436.62  1094.58  5876.22  2663.04  7753.83  1200.70  103.269   29.987  135.068   11.045 -31.79871 31.95601 
1 1 1  -44   16   19 o   50.652   14.589  1167.06  632.612  4355.02  2144.76  863.280  662.067   88.428   27.211   44.817   15.229 43.61073 31.18265 
1 1 1  -44   16   20 o   79.006   12.984  2814.19  803.981  2431.89  2538.23  2856.82  847.625   67.015   27.979   79.202   13.675 -12.18723 31.14220 
1 1 1  -44   16   21 o   46.673   18.162  959.480  989.446  2307.75  2609.71  733.133  1069.28   62.072   27.173   44.628   18.352 17.44365 32.78952 
1 1 1  -44   16   22 o   26.060   12.639 -1016.7550  833.224 -1206.3210  2721.66 -997.1500  875.249   44.559   21.874   26.969   13.050 17.59014 25.47092 
1 1 1  -44   16   23 o   31.243   14.270 -22.7161  806.502   0.0000   0.0000 -22.7161  806.502  ?   ?    31.243   14.270 0.000000 14.26962 
1 1 1  -44   18    1 o   59.084   12.842  1479.50  598.512   0.0000   0.0000  1479.50  598.512  ?   ?    59.084   12.842 0.000000 12.84226 
1 1 1  -44   18    2 o  651.468   34.076 179115.59 17962.76   0.0000   0.0000 179115.59 17962.76  ?   ?   651.468   34.076 0.000000 34.07638 
1 1 1  -44   18    3 o  795.099   34.139 266575.81 22039.95 242054.30 38636.43 278404.41 26834.27  718.771   66.973  804.878   41.198 -86.10730 78.62968 
1 1 1  -44   18    4 o  658.143   25.985 179994.80 13886.06 170730.30 24332.94 184468.91 16909.88  621.969   48.567  662.756   31.423 -40.78638 57.84641 
1 1 1  -44   18    5 o  366.016   20.392 55390.93  6036.25 52206.63  9006.40 57987.79  8133.32  350.718   31.978  371.983   27.115 -21.26569 41.92645 
1 1 1  -44   18    6 o  445.744   23.846 82714.28  8599.15 79070.00 12550.56 85938.80 11805.65  428.823   36.389  449.636   32.557 -20.81369 48.82693 
1 1 1  -44   18    7 o  221.125   14.912 20131.38  2661.82 14665.50  4131.37 24010.74  3480.52  184.927   28.424  240.876   17.924 -55.94859 33.60344 
1 1 1  -44   18    8 o  166.694   12.433 11426.53  1670.63 11123.75  2702.75 11613.74  2125.27  162.561   20.965  167.410   15.822 -4.848434 26.26543 
1 1 1  -44   18    9 o  301.431   17.217 37604.04  4196.48 37204.75  6301.26 37922.27  5625.50  296.026   26.496  300.385   23.246 -4.358459 35.24740 
1 1 1  -44   18   10 o  206.450   22.311 18049.03  3680.56 18049.03  3680.56   0.0000   0.0000  206.450   22.311  ?   ?  0.000000 22.31117 
1 1 1  -44   18   11 o  126.259   8.8456  6544.27  901.106  1493.95  2185.65  7578.51  989.079   69.999   27.061  135.887   9.0155 -65.88750 28.52339 
1 1 1  -44   18   12 o  296.271   12.695 36243.90  3053.93 35995.02  5858.19 36336.77  3578.68  287.234   25.379  295.333   14.973 -8.098267 29.46672 
1 1 1  -44   18   13 o  253.693   11.682 26619.08  2406.39 26098.11  4774.79 26796.46  2786.09  242.751   24.563  253.380   13.592 -10.62852 28.07223 
1 1 1  -44   18   14 o  150.042   9.4942  9317.46  1150.70  9193.43  2618.62  9347.14  1281.01  142.510   23.446  149.935   10.590 -7.425369 25.72673 
1 1 1  -44   18   15 o   25.686   11.130 -44.7128  428.433 -565.9116  1486.94   2.4741  447.407   43.479   19.667   26.945   11.520 16.53398 22.79288 
1 1 1  -44   18   16 o  202.692   11.077 17252.91  1816.20 14769.19  3858.77 17959.70  2058.45  172.520   28.545  205.980   12.365 -33.46068 31.10802 
1 1 1  -44   18   17 o  127.800   10.296  6891.35  1059.30  3315.74  2715.15  7533.32  1150.47   80.587   30.404  133.450   10.708 -52.86375 32.23436 
1 1 1  -44   18   18 o   96.439   11.031  3997.64  848.231  6225.85  2569.31  3725.08  898.615  105.383   29.078   92.458   12.273 12.92558 31.56218 
1 1 1  -44   18   19 o   87.994   12.141  3417.93  844.359  2822.23  2366.58  3504.82  903.844   71.024   27.956   88.660   12.936 -17.63647 30.80380 
1 1 1  -44   18   20 o   90.825   18.885  4180.42  1347.26  6180.61  3068.00  3702.56  1499.59   88.649   32.531   82.077   22.037 6.571129 39.29290 
1 1 1  -44   18   21 o   57.414   20.243  1878.80  1174.10  3377.19  3133.47  1634.06  1266.36   63.454   28.641   54.120   20.681 9.333553 35.32696 
1 1 1  -44   18   22 o   39.447   17.339  509.434  1072.35 -202.8748  3337.13  591.455  1132.41   46.626   23.133   40.582   17.829 6.044140 29.20625 
1 1 1  -44   20    1 o  112.529   13.220  5243.51  1184.88   0.0000   0.0000  5243.51  1184.88  ?   ?   112.529   13.220 0.000000 13.21988 
1 1 1  -44   20    2 o  152.255   13.489  9548.69  1650.35   0.0000   0.0000  9548.69  1650.35  ?   ?   152.255   13.489 0.000000 13.48919 
1 1 1  -44   20    3 o  179.679   12.582 13251.59  1823.97 12060.93  3729.36 13625.95  2091.14  167.625   28.415  181.931   14.270 -14.30565 31.79753 
1 1 1  -44   20    4 o  542.816   24.474 122577.90 10786.75 110205.40 19132.55 128343.20 13060.32  496.222   48.089  551.907   29.248 -55.68561 56.28492 
1 1 1  -44   20    5 o  182.822   13.275 13745.13  1957.24  7456.48  3645.88 16291.28  2319.88  129.873   34.128  198.894   14.464 -69.02138 37.06651 
1 1 1  -44   20    6 o  373.435   21.292 58019.77  6429.43 53875.34  9681.81 61289.26  8599.32  353.161   34.191  380.533   28.029 -27.37192 44.21151 
1 1 1  -44   20    7 o  272.681   16.597 30738.31  3657.31 29255.29  5671.84 31793.80  4784.96  262.155   27.034  275.674   21.548 -13.51865 34.57088 
1 1 1  -44   20    8 o  429.646   24.749 77972.81  8597.20 65964.06 12608.85 88406.30 11752.80  382.148   41.292  451.571   32.266 -69.42215 52.40343 
1 1 1  -44   20    9 o  227.440   16.124 21498.63  2958.43 13815.13  4668.90 26653.26  3824.13  174.827   34.115  252.360   18.797 -77.53220 38.95088 
1 1 1  -44   20   10 o  176.939   13.849 13005.10  1973.85 10910.03  3297.22 14175.27  2464.18  157.122   26.807  183.860   16.688 -26.73801 31.57662 
1 1 1  -44   20   11 o  322.858   14.506 43335.43  3802.69 43060.69  7353.19 43435.73  4442.93  309.548   29.617  321.367   17.088 -11.81900 34.19320 
1 1 1  -44   20   12 o   50.882   10.221  1103.54  407.629  347.095  1828.21  1143.11  418.156   55.582   23.507   51.792   10.306 3.789635 25.66685 
1 1 1  -44   20   13 o  112.740   8.8920  5262.17  807.375  2512.72  2333.01  5636.25  860.548   77.422   28.375  116.633   9.1606 -39.21153 29.81687 
1 1 1  -44   20   14 o  146.128   9.3500  8861.41  1103.57  6184.03  2835.05  9339.54  1198.06  110.935   30.518  149.837   9.9032 -38.90267 32.08479 
1 1 1  -44   20   15 o  175.026   10.615 12832.25  1501.48 11850.85  3515.59 13051.20  1660.55  153.887   29.204  175.948   11.690 -22.06053 31.45672 
1 1 1  -44   20   16 o  127.889   9.9936  6878.95  1029.51  5590.39  2808.53  7078.97  1106.54  100.907   31.152  129.459   10.620 -28.55202 32.91297 
1 1 1  -44   20   17 o   35.992   13.297  467.350  513.898 -1067.6541  2250.22  551.815  527.848   48.988   22.881   37.819   13.547 11.16967 26.59121 
1 1 1  -44   20   18 o   66.595   12.892  1990.37  671.929  1755.81  2647.26  2006.52  694.679   64.975   27.907   66.683   13.297 -1.707191 30.91278 
1 1 1  -44   20   19 o   34.322   15.811 -434.6004  1019.33  243.237  2660.28 -551.2431  1103.56   54.597   25.289   34.949   16.223 19.64883 30.04487 
1 1 1  -44   20   20 o   94.148   20.299  4812.41  1506.10  4278.37  3500.77  4933.70  1668.40   68.822   30.729   92.524   22.439 -23.70262 38.04988 
1 1 1  -44   20   21 o   64.820   21.702  2748.11  1344.27 -1056.5060  3602.88  3363.40  1448.89   47.329   23.573   71.201   22.440 -23.87141 32.54625 
1 1 1  -44   20   22 o   44.509   19.057  1227.34  1227.64  642.204  3202.81  1328.11  1329.16   44.713   22.263   45.326   19.621 -0.6125679 29.67586 
1 1 1  -44   22    1 o  126.884   14.343  6679.80  1451.75   0.0000   0.0000  6679.80  1451.75  ?   ?   126.884   14.343 0.000000 14.34294 
1 1 1  -44   22    2 o  127.713   14.336  6767.61  1460.91   0.0000   0.0000  6767.61  1460.91  ?   ?   127.713   14.336 0.000000 14.33559 
1 1 1  -44   22    3 o  129.728   14.244  6981.38  1475.72   0.0000   0.0000  6981.38  1475.72  ?   ?   129.728   14.244 0.000000 14.24431 
1 1 1  -44   22    4 o  160.046   12.439 10545.75  1603.80 10989.08  3378.42 10416.78  1822.21  159.511   27.051  158.705   14.294 0.8061371 30.59554 
1 1 1  -44   22    5 o  117.955   13.353  5777.10  1256.34  7061.33  2711.83  5426.15  1417.65  127.005   27.121  113.762   15.772 13.24290 31.37370 
1 1 1  -44   22    6 f  175.450   13.899 12728.61  1963.84  9306.20  3764.64 14008.11  2301.85  143.895   32.933  183.695   15.580 -39.80048 36.43214 
1 1 1  -44   22    7 o  157.286   13.976 10265.50  1766.33  7606.02  3272.12 11359.15  2098.31  129.813   31.389  165.023   15.855 -35.20970 35.16572 
1 1 1  -44   22    8 o  172.676   13.969 12389.21  1941.81 10712.42  3444.89 13170.09  2350.87  155.045   28.411  177.279   16.522 -22.23389 32.86593 
1 1 1  -44   22    9 o  218.931   26.746 21166.94  4655.59 21166.94  4655.59   0.0000   0.0000  218.931   26.746  ?   ?  0.000000 26.74575 
1 1 1  -44   22   10 o   65.402   16.083  1862.72  848.157  2776.49  1894.73  1633.74  948.495   79.654   25.721   61.491   17.908 18.16270 31.34083 
1 1 1  -44   22   11 o  133.913   13.913  7569.04  1490.74  7425.65  2762.71  7627.94  1770.63  126.050   27.745  133.341   16.722 -7.290298 32.39456 
1 1 1  -44   22   12 o  178.124   8.8845 13064.79  1284.96 17434.04  3434.18 12353.50  1385.62  198.087   21.707  172.637   9.9267 25.45009 23.86908 
1 1 1  -44   22   13 f   71.325   9.3456  2137.47  528.215  4288.26  2837.75  2060.28  537.610   92.922   31.530   69.905   9.7359 23.01745 32.99887 
1 1 1  -44   22   14 o   70.460   10.069  2105.35  559.684  2402.50  2641.34  2091.39  572.688   75.390   29.579   70.133   10.369 5.257072 31.34380 
1 1 1  -44   22   15 o  146.876   9.7749  9046.39  1159.08  8694.39  3748.27  9083.61  1218.82  121.483   35.662  146.932   10.281 -25.44891 37.11449 
1 1 1  -44   22   16 o  196.382   11.711 16488.28  1858.81 14121.08  4692.73 16928.81  2024.40  147.687   38.675  198.174   12.647 -50.48701 40.69061 
1 1 1  -44   22   17 o   19.929   9.6001 -656.4683  460.793 -3357.2009  2810.18 -581.8470  467.116   45.871   22.458   20.719   9.8965 25.15245 24.54166 
1 1 1  -44   22   18 o  274.173   33.580 49507.19  7319.19 10817.20 11317.43 77322.74  9596.05   79.811   40.051  332.704   36.101 -252.8926 53.91975 
1 1 1  -44   22   19 f   94.403   21.366  4908.13  1599.55  7754.35  3983.99  4361.15  1746.50   84.876   35.212   84.897   24.173 -0.2104950E-01 42.71114 
1 1 1  -44   22   20 o   52.203   20.843  1589.09  1333.07  2339.07  4000.89  1495.43  1413.86   56.358   27.417   51.276   21.096 5.081825 34.59413 
1 1 1  -44   22   21 f   40.138   17.358  708.820  1037.94 -4804.1929  4299.24  1050.04  1069.58   41.253   21.096   43.603   18.180 -2.349644 27.84896 
1 1 1  -44   24    1 o  421.090   24.368 75084.09  8295.91   0.0000   0.0000 75084.09  8295.91  ?   ?   421.090   24.368 0.000000 24.36753 
1 1 1  -44   24    2 f  215.415   16.296 19287.98  2829.17   0.0000   0.0000 19287.98  2829.17  ?   ?   215.415   16.296 0.000000 16.29557 
1 1 1  -44   24    3 o  174.697   15.425 12697.35  2165.59   0.0000   0.0000 12697.35  2165.59  ?   ?   174.697   15.425 0.000000 15.42533 
1 1 1  -44   24    4 o  148.635   13.742  9175.90  1639.69 10418.42  3769.32  8885.89  1821.02  152.002   31.573  145.766   15.630 6.235718 35.22938 
1 1 1  -44   24    5 o  252.665   15.471 26546.73  3158.60 20583.50  6157.54 28676.18  3679.60  210.693   37.361  261.828   17.407 -51.13455 41.21717 
1 1 1  -44   24    6 o  187.873   13.942 14675.54  2111.62 17263.34  4318.49 13862.39  2420.75  197.506   27.690  181.675   16.594 15.83147 32.28088 
1 1 1  -44   24    7 o  199.702   15.280 16698.11  2458.87 17828.41  4481.36 16211.24  2941.14  199.335   28.499  195.258   18.783 4.076675 34.13194 
1 1 1  -44   24    8 o  214.128   30.547 21076.49  5160.57 21076.49  5160.57   0.0000   0.0000  214.128   30.547  ?   ?  0.000000 30.54742 
1 1 1  -44   24    9 o  112.057   15.025  5349.28  1332.67  3910.86  2855.45  5749.85  1506.85   92.559   31.627  115.705   16.507 -23.14628 35.67560 
1 1 1  -44   24   10 o   65.477   17.179  1892.19  924.727 -34.3052  2501.80  2197.04  995.206   60.434   26.526   70.448   17.481 -10.01320 31.76871 
1 1 1  -44   24   11 o   58.060   17.666  1469.69  907.240  1328.64  2294.97  1495.82  987.692   66.817   27.111   58.766   18.528 8.051613 32.83731 
1 1 1  -44   24   12 o  115.573   8.6051  5541.61  801.729  5851.38  3208.92  5520.99  827.988  105.461   33.412  115.266   8.9161 -9.804756 34.58126 
1 1 1  -44   24   13 o  217.258   12.125 19953.99  2130.37 12994.17  5151.35 21389.89  2339.83  144.952   41.595  224.381   12.897 -79.42920 43.54890 
1 1 1  -44   24   14 o  124.093   9.2766  6450.29  927.946  9154.12  3316.14  6220.59  966.559  129.367   31.795  121.604   9.8744 7.763252 33.29338 
1 1 1  -44   24   15 o   70.505   10.789  2146.03  597.989   65.609  3432.81  2211.13  607.273   63.445   29.148   71.590   10.781 -8.145607 31.07834 
1 1 1  -44   24   16 o   79.817   10.727  2759.66  677.630 -1952.5370  3728.60  2920.62  689.106   56.688   27.307   82.217   10.567 -25.52867 29.28052 
1 1 1  -44   24   17 o   69.261   22.144  2577.23  1407.02  5582.03  3994.20  2151.54  1503.39   82.138   34.742   63.667   22.857 18.47084 41.58686 
1 1 1  -44   24   18 o   42.111   18.545  293.728  1231.84  5834.66  4134.52 -246.0491  1290.45   75.394   33.549   38.934   17.881 36.45993 38.01688 
1 1 1  -44   24   19 o   52.785   21.292  1612.27  1406.67  3305.40  4663.10  1442.77  1475.40   59.143   28.950   51.244   21.358 7.898483 35.97576 
1 1 1  -44   24   20 o   73.967   24.664  4374.42  1736.32  1240.74  5338.98  4745.06  1836.14   49.516   25.152   75.844   25.364 -26.32804 35.72082 
1 1 1  -44   26    1 o   87.408   17.648  3305.85  1209.35   0.0000   0.0000  3305.85  1209.35  ?   ?    87.408   17.648 0.000000 17.64776 
1 1 1  -44   26    2 o  454.223   27.442 90598.38 10073.45   0.0000   0.0000 90598.38 10073.45  ?   ?   454.223   27.442 0.000000 27.44193 
1 1 1  -44   26    3 o  277.864   19.489 32784.54  4369.16   0.0000   0.0000 32784.54  4369.16  ?   ?   277.864   19.489 0.000000 19.48875 
1 1 1  -44   26    4 o   31.056   14.100 -432.7506  772.696   0.0000   0.0000 -432.7506  772.696  ?   ?    31.056   14.100 0.000000 14.10002 
1 1 1  -44   26    5 o  135.689   15.116  7774.71  1637.11  1722.18  3936.43  9040.49  1800.17   83.726   34.890  146.338   15.380 -62.61241 38.12979 
1 1 1  -44   26    6 o  179.794   16.391 13704.66  2366.51 11207.93  5135.70 14377.70  2666.47  146.848   41.327  183.328   18.152 -36.47974 45.13769 
1 1 1  -44   26    7 o   53.341   24.414 -1168.8719  2377.04 -2877.7681  2797.65  3267.55  4507.66   51.529   24.503   93.687   38.002 -42.15795 45.21642 
1 1 1  -44   26    8 o  138.320   15.564  8169.23  1717.61  6919.82  3860.35  8477.63  1917.91  116.139   36.631  140.192   17.210 -24.05294 40.47253 
1 1 1  -44   26    9 o  156.914   16.056 10569.97  2016.81 10383.55  4337.59 10621.38  2278.03  139.856   37.450  156.052   18.327 -16.19615 41.69401 
1 1 1  -44   26   10 o  136.608   16.343  8096.98  1776.81  5996.21  3946.99  8630.90  1989.83  105.662   37.128  140.238   17.882 -34.57514 41.21011 
1 1 1  -44   26   11 o  141.472   16.157  8726.09  1822.63  7613.01  4007.50  9016.37  2046.53  115.442   37.420  142.642   18.075 -27.19926 41.55709 
1 1 1  -44   26   12 o  152.640   16.239 10239.10  1981.71 11909.88  4216.51  9765.41  2245.12  144.915   35.996  146.813   19.302 -1.897415 40.84462 
1 1 1  -44   26   13 o   71.092   9.6220  2147.99  541.152  7108.06  3702.21  2039.70  547.027  107.332   36.016   69.112   10.042 38.22020 37.38933 
1 1 1  -44   26   14 o  108.541   9.4866  4981.74  827.672  7904.89  3789.89  4835.34  848.145  108.862   36.440  106.737   9.8989 2.124603 37.76058 
1 1 1  -44   26   15 o  106.384   9.9484  4840.63  849.373  8557.49  3975.71  4662.87  869.447  106.494   37.272  104.144   10.422 2.350327 38.70157 
1 1 1  -44   26   16 o   33.377   15.706 -788.0886  1094.09 -7994.8252  3493.03  -4.1424  1152.06   41.420   20.965   39.725   17.691 1.694508 27.43142 
1 1 1  -44   26   17 o   41.127   17.607  421.966  1047.74 -5392.8208  4787.56  714.469  1073.77   50.018   25.223   44.336   18.328 5.681164 31.17840 
1 1 1  -44   26   18 o   54.423   21.822  1786.41  1467.94  3110.32  5340.69  1678.22  1526.74   58.528   29.077   53.362   21.935 5.166222 36.42254 
1 1 1  -44   26   19 o   59.712   23.523  2898.36  1676.85  8723.76  6027.42  2409.66  1745.77   57.510   28.910   54.943   23.089 2.567150 36.99843 
1 1 1  -44   28    1 f  104.910   20.364  4858.40  1672.11   0.0000   0.0000  4858.40  1672.11  ?   ?   104.910   20.364 0.000000 20.36390 
1 1 1  -44   28    2 o  187.292   18.625 15060.00  2794.88   0.0000   0.0000 15060.00  2794.88  ?   ?   187.292   18.625 0.000000 18.62538 
1 1 1  -44   28    3 o   29.924   13.781 -557.7758  773.724   0.0000   0.0000 -557.7758  773.724  ?   ?    29.924   13.781 0.000000 13.78140 
1 1 1  -44   28    4 o  338.396   24.003 50807.55  6552.49   0.0000   0.0000 50807.55  6552.49  ?   ?   338.396   24.003 0.000000 24.00325 
1 1 1  -44   28    5 o  221.292   29.043 22853.87  5092.41 23849.83  7337.20 21928.19  7073.55  208.848   44.622  199.803   44.717 9.044937 63.17233 
1 1 1  -44   28    6 o  298.912   18.856 38687.05  4553.00 46672.02  9364.40 36215.11  5210.29  299.606   39.453  285.254   22.683 14.35248 45.50898 
1 1 1  -44   28    7 o  113.969   17.548  5691.72  1571.75  2723.15  4572.30  6089.52  1673.75   88.353   37.260  117.695   18.094 -29.34174 41.42109 
1 1 1  -44   28    8 o  192.024   16.482 15932.53  2544.99 18225.17  5834.85 15393.89  2828.19  180.431   40.786  186.999   18.885 -6.567184 44.94577 
1 1 1  -44   28    9 o  250.927   19.671 28032.46  3975.85 28151.18  7526.24 27986.50  4682.55  217.265   44.168  245.906   23.747 -28.64119 50.14704 
1 1 1  -44   28   10 o   81.146   20.551  3079.77  1355.49  3442.41  4282.87  3039.40  1428.94   86.550   36.257   80.234   21.499 6.315300 42.15195 
1 1 1  -44   28   11 o  164.728   19.057 12340.22  2501.87  3715.56  5734.20 14368.07  2780.48   88.207   39.361  177.274   19.647 -89.06626 43.99210 
1 1 1  -44   28   12 o  120.032   18.727  6666.55  1765.54  2338.82  4416.56  7489.68  1926.14   77.406   34.542  126.864   19.308 -49.45779 39.57225 
1 1 1  -44   28   13 f   47.332   10.870  988.797  408.964 -729.0596  4191.50  1005.31  410.924   63.625   30.178   47.736   10.848 15.88844 32.06874 
1 1 1  -44   28   14 o   83.531   21.944  3628.62  1507.61 -2145.1880  5071.90  4188.22  1578.98   61.618   30.168   90.092   21.817 -28.47400 37.23019 
1 1 1  -44   28   15 o   59.356   22.193  1835.02  1440.10  1015.83  4531.42  1927.05  1518.84   63.439   30.441   60.380   22.749 3.059074 38.00258 
1 1 1  -44   28   16 o   45.036   19.751  530.484  1384.26  2836.70  4749.59  316.405  1447.08   63.172   30.527   44.022   19.699 19.14956 36.33131 
1 1 1  -44   28   17 o   48.400   20.948  1133.77  1514.31  9999.59  5250.28  329.306  1581.53   71.588   33.903   43.331   19.862 28.25688 39.29293 
1 1 1  -44   28   18 o   46.180   20.517  1217.41  1540.38  751.139  5739.04  1253.61  1599.05   49.051   25.024   46.504   20.766 2.546234 32.51824 
1 1 1  -44   30    1 o  203.374   20.599 18201.48  3354.65   0.0000   0.0000 18201.48  3354.65  ?   ?   203.374   20.599 0.000000 20.59893 
1 1 1  -44   30    2 o   41.355   18.384 -310.6712  1238.39   0.0000   0.0000 -310.6712  1238.39  ?   ?    41.355   18.384 0.000000 18.38372 
1 1 1  -44   30    3 o  101.018   36.198  5146.85  3768.86   0.0000   0.0000  5146.85  3768.86  ?   ?   101.018   36.198 0.000000 36.19819 
1 1 1  -44   30    4 o   64.722   30.059 -1658.6780  3795.86   0.0000   0.0000 -1658.6780  3795.86  ?   ?    64.722   30.059 0.000000 30.05857 
1 1 1  -44   30    5 o  146.545   19.651  9555.72  2279.42   0.0000   0.0000  9555.72  2279.42  ?   ?   146.545   19.651 0.000000 19.65149 
1 1 1  -44   30    6 o  194.222   18.835 16670.55  2933.02 14365.76  7400.09 17100.09  3194.66  140.602   50.686  195.350   20.444 -54.74701 54.65338 
1 1 1  -44   30    7 o  269.065   19.717 32354.03  4277.52 29808.27  9383.23 33021.86  4805.95  197.935   55.916  268.556   22.240 -70.62070 60.17693 
1 1 1  -44   30    8 o  145.005   18.260  9418.10  2102.25  9090.50  6455.91  9456.96  2223.43  112.425   45.522  144.429   19.455 -32.00372 49.50448 
1 1 1  -44   30    9 o  164.427   19.007 12291.73  2490.91 12245.25  6248.59 12300.50  2716.04  125.199   46.343  162.580   21.070 -37.38120 50.90817 
1 1 1  -44   30   10 o  124.025   19.417  7156.63  1891.25  9979.46  5738.34  6812.64  2003.18  111.736   43.665  119.332   21.463 -7.595680 48.65521 
1 1 1  -44   30   11 o  147.403   19.234 10203.08  2247.21 13105.92  6191.05  9762.59  2411.69  118.827   45.651  141.734   21.642 -22.90684 50.52133 
1 1 1  -44   30   12 o   37.075   16.585 -167.1669  1024.87 -8486.2002  4733.14  242.064  1049.78   50.438   25.389   41.114   17.614 9.323875 30.90066 
1 1 1  -44   30   13 o   64.275   23.273  2202.62  1562.66 -408.8493  5154.19  2466.96  1639.85   63.575   30.970   67.086   23.894 -3.511253 39.11654 
1 1 1  -44   30   14 o   56.927   21.784  1695.67  1406.27 -6993.3062  5175.42  2388.33  1461.25   50.593   25.597   64.779   22.601 -14.18651 34.14683 
1 1 1  -44   30   15 o   78.850   24.789  4083.45  1769.29 -1630.0330  6624.67  4522.29  1835.99   56.356   28.563   82.932   25.109 -26.57535 38.03012 
1 1 1  -44   30   16 o   42.770   19.566  405.600  1524.06  1342.35  6264.55  346.668  1571.27   53.853   27.344   42.735   19.666 11.11846 33.68156 
1 1 1  -44   32    1 f   77.009   33.203  1598.21  3775.43   0.0000   0.0000  1598.21  3775.43  ?   ?    77.009   33.203 0.000000 33.20330 
1 1 1  -44   32    2 o  148.266   23.058 10201.60  2685.70   0.0000   0.0000 10201.60  2685.70  ?   ?   148.266   23.058 0.000000 23.05810 
1 1 1  -44   32    3 o   82.933   24.685  3312.06  1785.67   0.0000   0.0000  3312.06  1785.67  ?   ?    82.933   24.685 0.000000 24.68483 
1 1 1  -44   32    4 o  150.730   22.252 10548.92  2641.50   0.0000   0.0000 10548.92  2641.50  ?   ?   150.730   22.252 0.000000 22.25215 
1 1 1  -44   32    5 o  152.224   22.061 10807.32  2647.26   0.0000   0.0000 10807.32  2647.26  ?   ?   152.224   22.061 0.000000 22.06078 
1 1 1  -44   32    6 o  130.322   20.981  7920.97  2144.80 21991.04  7692.30  6734.91  2233.37  165.718   51.621  117.494   24.215 48.22411 57.01892 
1 1 1  -44   32    7 o   65.241   22.127  1987.26  1397.57  2435.63  6397.82  1964.79  1432.16   83.927   38.993   65.028   22.392 18.89920 44.96515 
1 1 1  -44   32    8 o   63.039   22.357  1844.27  1434.14  5522.87  6448.26  1652.84  1470.98   90.365   40.909   60.947   22.500 29.41768 46.68851 
1 1 1  -44   32    9 o  186.918   21.647 16980.92  3224.64  8172.46  8774.92 18356.17  3467.25   91.606   43.513  193.092   22.539 -101.4853 49.00354 
1 1 1  -44   32   10 o  125.926   20.980  7837.16  2069.69  5417.67  7403.99  8042.25  2155.63   82.296   39.335  126.803   21.718 -44.50681 44.93233 
1 1 1  -44   32   11 o   44.683   19.378  345.086  1301.06  8443.69  6691.33   26.873  1326.38   84.927   39.597   42.507   18.952 42.41989 43.89874 
1 1 1  -44   32   12 o   25.477   12.645 -2049.4031  1001.05 -6718.3301  6486.98 -1935.5060  1013.19   55.977   28.359   26.131   12.926 29.84604 31.16617 
1 1 1  -44   32   13 o   38.298   17.653 -254.4245  1273.16  1139.40  6259.83 -314.5685  1300.34   60.807   30.408   38.266   17.709 22.54024 35.18832 
1 1 1  -44   32   14 o   54.575   22.310  1820.01  1568.60  4282.19  6826.55  1682.76  1611.72   59.428   29.987   53.359   22.288 6.069199 37.36300 
1 1 1  -44   34    1 o   45.875   20.849 -505.6385  1694.79   0.0000   0.0000 -505.6385  1694.79  ?   ?    45.875   20.849 0.000000 20.84880 
1 1 1  -44   34    2 o   99.720   27.848  5243.38  2341.42   0.0000   0.0000  5243.38  2341.42  ?   ?    99.720   27.848 0.000000 27.84848 
1 1 1  -44   34    3 o   74.806   26.173  2798.24  1960.34   0.0000   0.0000  2798.24  1960.34  ?   ?    74.806   26.173 0.000000 26.17273 
1 1 1  -44   34    4 o  133.613   25.175  9001.39  2631.01   0.0000   0.0000  9001.39  2631.01  ?   ?   133.613   25.175 0.000000 25.17490 
1 1 1  -44   34    5 o   79.954   24.877  3319.41  1787.05   0.0000   0.0000  3319.41  1787.05  ?   ?    79.954   24.877 0.000000 24.87709 
1 1 1  -44   34    6 o   46.330   20.399  116.017  1489.74   0.0000   0.0000  116.017  1489.74  ?   ?    46.330   20.399 0.000000 20.39933 
1 1 1  -44   34    7 f   62.258   23.974  1831.79  1710.07  4204.84  9230.89  1747.45  1740.19   81.244   39.963   61.555   24.049 19.68912 46.64080 
1 1 1  -44   34    8 o   82.888   24.619  3804.53  1777.52  5716.14  9318.61  3732.35  1810.76   79.553   39.324   81.729   24.978 -2.175476 46.58591 
1 1 1  -44   34    9 o   46.164   20.160  396.318  1428.79  4916.33  7611.67  231.236  1454.65   74.652   36.633   45.205   20.018 29.44746 41.74569 
1 1 1  -44   34   10 o   77.249   24.130  3542.02  1679.53  5784.97  8955.33  3460.25  1709.87   70.713   35.504   75.946   24.425 -5.233009 43.09433 
1 1 1  -44   34   11 o   52.741   21.862  1373.86  1533.84 14078.44  9199.31  1010.56  1555.62   73.217   36.650   49.816   21.394 23.40086 42.43780 
1 1 1  -44   34   12 o   86.757   27.174  5554.60  2128.32  9963.90  8966.04  5291.31  2190.95   63.524   32.301   82.765   27.706 -19.24105 42.55572 
1 1 1  -44   36    1 o   69.211   27.721  2462.61  2366.01   0.0000   0.0000  2462.61  2366.01  ?   ?    69.211   27.721 0.000000 27.72096 
1 1 1  -44   36    2 o   64.420   26.916  1853.99  2351.47   0.0000   0.0000  1853.99  2351.47  ?   ?    64.420   26.916 0.000000 26.91595 
1 1 1  -44   36    3 o   63.680   26.314  1880.15  2212.11   0.0000   0.0000  1880.15  2212.11  ?   ?    63.680   26.314 0.000000 26.31378 
1 1 1  -44   36    4 o   65.435   26.709  2188.20  2243.98   0.0000   0.0000  2188.20  2243.98  ?   ?    65.435   26.709 0.000000 26.70945 
1 1 1  -44   36    5 o  102.915   30.577  6888.70  2741.74   0.0000   0.0000  6888.70  2741.74  ?   ?   102.915   30.577 0.000000 30.57712 
1 1 1  -44   36    6 o  182.717   30.245 20799.48  4330.18   0.0000   0.0000 20799.48  4330.18  ?   ?   182.717   30.245 0.000000 30.24508 
1 1 1  -44   36    7 o   62.953   25.659  2303.22  2067.27   0.0000   0.0000  2303.22  2067.27  ?   ?    62.953   25.659 0.000000 25.65945 
1 1 1  -44   36    8 o   47.246   21.379  383.512  1758.63  125.567 11138.95  390.106  1780.97   63.489   32.574   47.448   21.488 16.04150 39.02285 
1 1 1  -44   36    9 o   71.400   26.076  3642.69  1967.88 14767.58 11534.50  3309.17  1997.16   66.981   34.277   67.974   25.972 -0.9929962 43.00541 
1 1 1  -44   38    1 o   71.086   31.393  4054.84  3553.87   0.0000   0.0000  4054.84  3553.87  ?   ?    71.086   31.393 0.000000 31.39279 
1 1 1  -44   38    2 o   61.305   28.025  1959.49  3119.38   0.0000   0.0000  1959.49  3119.38  ?   ?    61.305   28.025 0.000000 28.02463 
1 1 1  -44   38    3 o   90.303   35.734  8428.50  3885.97   0.0000   0.0000  8428.50  3885.97  ?   ?    90.303   35.734 0.000000 35.73418 
1 1 1  -44   38    4 o   96.784   36.511  9886.56  3915.25   0.0000   0.0000  9886.56  3915.25  ?   ?    96.784   36.511 0.000000 36.51136 
1 1 1  -44   38    5 o   68.599   28.514  3829.45  2619.59   0.0000   0.0000  3829.45  2619.59  ?   ?    68.599   28.514 0.000000 28.51396 
1 1 1  -43    1    1 o  721.794   51.196 217644.30 29809.78   0.0000   0.0000 217644.30 29809.78  ?   ?   721.794   51.196 0.000000 51.19573 
1 1 1  -43    1    4 o  424.406   20.591 73482.48  7095.78 76933.45 10052.91 70056.06 10017.09  432.325   28.803  412.187   30.139 20.13788 41.68897 
1 1 1  -43    1    5 o  329.534   16.460 44247.87  4404.14 43304.13  6253.25 45176.74  6203.83  324.489   23.902  331.590   23.188 -7.101532 33.30151 
1 1 1  -43    1    6 o  256.187   19.262 26953.14  3977.42 26953.14  3977.42   0.0000   0.0000  256.187   19.262  ?   ?  0.000000 19.26179 
1 1 1  -43    1    7 o  419.037   29.749 72855.65 10055.97   0.0000   0.0000 72855.65 10055.97  ?   ?   419.037   29.749 0.000000 29.74850 
1 1 1  -43    1    8 o  373.873   18.807 57346.79  5690.95 54713.96  8058.45 59966.29  8038.03  362.993   27.546  380.507   26.176 -17.51443 37.99968 
1 1 1  -43    1    9 o  211.278   9.4721 18163.81  1624.94 16307.61  2874.73 19035.34  1969.82  198.807   18.004  215.893   11.276 -17.08595 21.24356 
1 1 1  -43    1   10 o  494.807   18.727 100396.80  7523.79 106104.70 13097.55 97585.66  9191.67  502.853   32.248  486.518   23.268 16.33514 39.76614 
1 1 1  -43    1   11 o  334.067   13.757 45587.92  3731.68 45910.91  4552.91 44926.83  6513.67  334.330   16.825  328.565   24.594 5.764313 29.79859 
1 1 1  -43    1   12 o  394.041   13.992 63502.87  4476.75 62515.03  6330.99 64490.77  6331.17  388.948   20.115  395.668   19.707 -6.719208 28.16002 
1 1 1  -43    1   13 o  322.523   11.904 42495.76  3117.45 43846.24  4407.92 41144.27  4409.57  326.215   16.697  315.818   17.261 10.39700 24.01560 
1 1 1  -43    1   14 o  303.290   11.563 37605.70  2847.46 38965.32  4022.42 36239.97  4031.43  307.296   16.178  296.126   16.836 11.17044 23.34915 
1 1 1  -43    1   15 o   66.425   6.4691  1813.01  344.485  2249.18  487.677  1378.63  486.676   73.814   8.2795   57.126   10.890 16.68799 13.67972 
1 1 1  -43    1   16 f  137.339   6.9968  7708.82  777.663  8307.13  1098.47  7107.65  1101.10  142.185   9.5704  131.318   10.412 10.86655 14.14227 
1 1 1  -43    1   17 f  113.333   6.5478  5259.17  599.980  5677.59  839.376  4822.05  857.928  117.368   8.8733  107.901   9.9029 9.467415 13.29671 
1 1 1  -43    1   18 o   52.215   7.9224  1143.46  325.339  1126.56  430.468  1165.98  496.833   51.255   10.690   51.940   12.019 -0.6850281 16.08486 
1 1 1  -43    1   19 o  123.947   7.2158  6332.38  723.065  5886.94  1015.39  6790.64  1029.90  118.432   10.674  127.495   10.030 -9.063507 14.64658 
1 1 1  -43    1   20 o  131.575   7.3292  7161.07  779.903  6617.22  1082.54  7747.95  1124.56  125.130   10.759  135.688   10.284 -10.55783 14.88338 
1 1 1  -43    1   21 o  113.636   7.5440  5377.06  692.114  5168.96  965.168  5597.35  993.022  109.899   10.962  114.477   10.811 -4.578606 15.39663 
1 1 1  -43    1   22 o   41.193   11.066  755.414  378.025  929.219  546.035  595.433  523.869   45.337   13.686   38.229   13.517 7.108150 19.23566 
1 1 1  -43    1   23 f   28.596   10.844  280.280  346.535  300.894  430.642  242.407  583.698   30.672   11.969   32.631   13.503 -1.959415 18.04385 
1 1 1  -43    1   24 o   30.479   10.997  379.437  348.462 -63.4802  464.516  949.459  526.969   25.303   11.253   44.211   13.467 -18.90821 17.54951 
1 1 1  -43    1   25 o   15.160   7.3664 -439.6819  286.611 -355.8055  375.007 -557.4922  444.438   19.018   9.0223   19.385   9.3605 -0.3670349 13.00084 
1 1 1  -43    3    1 o  312.159   17.143 39794.73  4328.46 46849.81  6125.07 32756.67  6117.68  338.124   22.437  281.755   27.074 56.36929 35.16325 
1 1 1  -43    3    2 o  1014.49   72.210 441976.81 59093.49 441976.81 59093.49   0.0000   0.0000  1014.49   72.210  ?   ?  0.000000 72.20984 
1 1 1  -43    3    6 o  527.004   36.952 115888.00 15711.95   0.0000   0.0000 115888.00 15711.95  ?   ?   527.004   36.952 0.000000 36.95158 
1 1 1  -43    3    7 o   57.833   6.8412  1378.16  315.032   0.0000   0.0000  1378.16  315.032  ?   ?    57.833   6.8412 0.000000 6.841238 
1 1 1  -43    3    8 o  386.371   19.005 61116.56  5962.36   0.0000   0.0000 61116.56  5962.36  ?   ?   386.371   19.005 0.000000 19.00534 
1 1 1  -43    3    9 o  716.187   34.590 214691.30 20114.73   0.0000   0.0000 214691.30 20114.73  ?   ?   716.187   34.590 0.000000 34.58990 
1 1 1  -43    3   10 o  170.663   8.2809 11848.24  1147.50 11182.60  2118.68 12124.55  1365.06  164.583   16.059  172.296   9.7979 -7.713013 18.81166 
1 1 1  -43    3   11 o  267.946   14.309 29427.72  3101.90 29578.56  4440.43 29283.96  4334.97  267.276   20.620  266.034   20.220 1.242340 28.87962 
1 1 1  -43    3   12 o   52.907   7.9155  1164.22  329.596  202.503  742.790  1399.99  367.786   37.519   15.347   58.109   8.0077 -20.58957 17.31031 
1 1 1  -43    3   13 o  114.076   6.2299  5308.19  574.874  5483.34  800.940  5122.08  825.610  115.709   8.5862  111.738   9.1810 3.970818 12.57038 
1 1 1  -43    3   14 o  104.533   6.2677  4461.42  529.535  4265.04  733.896  4674.69  764.811  101.890   8.9620  106.713   8.9081 -4.823418 12.63614 
1 1 1  -43    3   15 o  115.680   6.5005  5464.81  608.109  6137.77  837.079  4712.77  884.903  122.382   8.4760  106.885   10.325 15.49702 13.35832 
1 1 1  -43    3   16 o  249.870   9.4861 25545.27  1924.60 25029.58  2715.05 26066.13  2728.61  245.960   13.648  251.089   13.432 -5.129974 19.14963 
1 1 1  -43    3   17 o   10.530   5.2358 -436.4648  174.600 -296.1374  199.757 -890.7147  359.400   13.246   6.3656   15.123   7.5181 -1.876554 9.851016 
1 1 1  -43    3   18 o   29.153   9.6694  334.038  266.991  196.544  351.370  521.881  410.697   27.666   10.807   36.194   11.992 -8.527277 16.14296 
1 1 1  -43    3   19 o   47.022   8.0622  935.879  296.740  1031.27  390.422  805.400  456.616   48.952   10.155   43.214   12.379 5.737885 16.01168 
1 1 1  -43    3   20 o  171.566   8.1414 12188.59  1134.15 12564.83  1587.66 11796.52  1620.72  172.243   11.417  166.467   12.073 5.775711 16.61611 
1 1 1  -43    3   21 o  138.738   7.7300  8016.88  867.331  8751.43  1183.06  7163.33  1275.31  143.652   10.209  128.620   12.364 15.03157 16.03413 
1 1 1  -43    3   22 o  146.098   7.9334  8961.33  937.585  8438.91  1281.12  9563.85  1375.83  139.331   11.425  148.295   11.516 -8.963318 16.22192 
1 1 1  -43    3   23 o  106.192   7.7968  4785.27  667.568  4254.18  888.000  5475.51  1012.34   97.741   11.404  111.013   11.392 -13.27118 16.11915 
1 1 1  -43    3   24 o   38.066   11.160  674.374  367.298  471.492  460.408  1029.52  609.152   33.799   12.566   45.507   14.572 -11.70813 19.24207 
1 1 1  -43    3   25 o   52.014   10.268  1278.43  418.279  1362.69  531.174  1140.90  678.625   51.839   12.716   45.375   15.419 6.464230 19.98568 
1 1 1  -43    5    1 o  877.199   37.200 317322.91 26495.95 339120.91 32389.49 273227.81 46067.14  903.975   44.128  794.416   72.206 109.5593 84.62244 
1 1 1  -43    5    2 o  590.623   31.838 143704.80 15212.18 167068.30 21244.06 119118.40 21792.99  633.850   41.507  531.361   51.143 102.4885 65.86662 
1 1 1  -43    5    3 o  176.708   14.830 12801.12  2108.08 12801.12  2108.08   0.0000   0.0000  176.708   14.830  ?   ?  0.000000 14.82952 
1 1 1  -43    5    4 o  1147.30   85.447 590889.31 79029.40 590889.31 79029.40   0.0000   0.0000  1147.30   85.447  ?   ?  0.000000 85.44722 
1 1 1  -43    5    5 o  780.119   55.770 260480.20 35093.31 260480.20 35093.31   0.0000   0.0000  780.119   55.770  ?   ?  0.000000 55.76971 
1 1 1  -43    5    6 o  383.543   18.795 60116.57  5853.36 62065.29  8366.00 58247.84  8192.52  387.526   26.751  375.285   27.067 12.24152 38.05611 
1 1 1  -43    5    7 o   92.197   7.3812  3477.17  547.935  4704.46  852.406  2612.95  715.296  107.077   9.9167   79.304   11.439 27.77394 15.13933 
1 1 1  -43    5    8 o  317.978   22.897 41774.55  5872.17   0.0000   0.0000 41774.55  5872.17  ?   ?   317.978   22.897 0.000000 22.89706 
1 1 1  -43    5    9 o  619.516   44.554 164797.59 22262.16   0.0000   0.0000 164797.59 22262.16  ?   ?   619.516   44.554 0.000000 44.55394 
1 1 1  -43    5   10 o  140.214   12.804  8086.83  1441.66   0.0000   0.0000  8086.83  1441.66  ?   ?   140.214   12.804 0.000000 12.80417 
1 1 1  -43    5   11 o  168.966   14.493 11758.36  1969.11   0.0000   0.0000 11758.36  1969.11  ?   ?   168.966   14.493 0.000000 14.49296 
1 1 1  -43    5   12 o  107.957   8.6785  4776.25  754.308   0.0000   0.0000  4776.25  754.308  ?   ?   107.957   8.6785 0.000000 8.678484 
1 1 1  -43    5   13 o  357.294   18.212 52759.16  5265.83   0.0000   0.0000 52759.16  5265.83  ?   ?   357.294   18.212 0.000000 18.21155 
1 1 1  -43    5   14 o  140.659   9.7501  8112.58  1106.69   0.0000   0.0000  8112.58  1106.69  ?   ?   140.659   9.7501 0.000000 9.750088 
1 1 1  -43    5   15 o  201.634   11.739 16716.07  1913.64   0.0000   0.0000 16716.07  1913.64  ?   ?   201.634   11.739 0.000000 11.73926 
1 1 1  -43    5   16 o  243.507   10.783 24332.71  2131.97 25312.73  3550.45 23780.08  2666.15  245.464   17.938  239.549   13.765 5.915024 22.61094 
1 1 1  -43    5   17 o  169.646   8.2858 11792.97  1141.34 10333.31  1799.63 12775.11  1476.19  156.784   14.294  175.813   10.387 -19.02875 17.66902 
1 1 1  -43    5   18 f  144.464   8.0461  8601.80  940.059  8599.55  1416.70  8603.57  1256.55  143.026   12.319  143.606   10.856 -0.5803986 16.42032 
1 1 1  -43    5   19 o  134.002   7.7382  7420.01  838.371  7344.07  1254.81  7481.24  1126.77  131.780   11.854  133.595   10.471 -1.815384 15.81655 
1 1 1  -43    5   20 o   45.779   9.7541  907.206  351.474  735.112  466.070  1134.13  535.186   41.350   12.678   50.599   12.967 -9.249226 18.13493 
1 1 1  -43    5   21 o  181.164   8.6443 13720.81  1271.57 13913.30  1760.34 13510.78  1838.76  179.589   12.143  176.269   12.938 3.320328 17.74379 
1 1 1  -43    5   22 o  105.774   7.6238  4700.58  650.385  4708.79  854.592  4689.26  1002.60  104.505   10.201  103.015   12.225 1.490036 15.92236 
1 1 1  -43    5   23 o   62.014   8.4544  1663.52  414.615  1982.68  504.835  1002.10  726.738   67.278   9.5062   46.155   15.948 21.12316 18.56602 
1 1 1  -43    5   24 o   61.689   9.9487  1721.79  481.372  1466.49  559.456  2449.67  944.659   55.068   12.762   67.487   17.191 -12.41970 21.41022 
1 1 1  -43    5   25 o   40.827   11.168  820.365  380.920  623.628  446.211  1348.96  731.410   35.696   12.487   48.330   16.003 -12.63337 20.29816 
1 1 1  -43    7    1 o  785.411   56.583 262549.50 35842.91   0.0000   0.0000 262549.50 35842.91  ?   ?   785.411   56.583 0.000000 56.58315 
1 1 1  -43    7    2 o   77.509   16.464  2541.10  1004.16   0.0000   0.0000  2541.10  1004.16  ?   ?    77.509   16.464 0.000000 16.46394 
1 1 1  -43    7    3 o  224.370   17.518 20655.15  3166.17 20655.15  3166.17   0.0000   0.0000  224.370   17.518  ?   ?  0.000000 17.51809 
1 1 1  -43    7    4 o  396.142   28.380 64871.00  9068.04 64871.00  9068.04   0.0000   0.0000  396.142   28.380  ?   ?  0.000000 28.37993 
1 1 1  -43    7    5 o  361.227   18.423 53443.40  5385.50 49463.80  7686.72 57280.33  7547.68  345.561   27.626  372.641   25.091 -27.07928 37.32001 
1 1 1  -43    7    6 o  412.094   20.900 69747.27  6970.23 63312.35  9920.19 76021.80  9795.78  389.650   31.628  428.263   28.330 -38.61246 42.46096 
1 1 1  -43    7    7 o  478.843   19.441 93901.24  7558.58 86286.50 13190.72 97623.95  9222.96  452.908   36.171  487.320   23.309 -34.41211 43.03044 
1 1 1  -43    7    8 o  483.977   23.830 96464.45  9364.45   0.0000   0.0000 96464.45  9364.45  ?   ?   483.977   23.830 0.000000 23.82973 
1 1 1  -43    7    9 o  219.156   10.102 19555.16  1797.59 14606.61  3237.47 21760.77  2161.38  187.239   21.697  231.085   11.519 -43.84621 24.56501 
1 1 1  -43    7   10 o  420.793   16.899 72538.82  5773.72 79607.54 10093.68 69101.15  7039.02  436.293   28.652  409.103   21.264 27.19083 35.68025 
1 1 1  -43    7   11 o  418.048   20.502 72035.85  6959.33 78458.05  9924.54 65822.98  9761.45  432.450   28.422  394.884   30.685 37.56567 41.82615 
1 1 1  -43    7   12 o   94.695   9.4899  3690.50  719.846  3618.82  1202.28  3730.55  898.743   92.515   16.616   94.841   11.935 -2.326256 20.45793 
1 1 1  -43    7   13 o  322.938   16.688 43029.13  4360.83 46509.75  6252.74 39732.79  6084.96  333.319   23.249  307.406   24.584 25.91251 33.83618 
1 1 1  -43    7   14 o  362.599   18.593 54589.66  5455.82 58567.92  7804.75 50787.94  7629.61  371.732   26.022  345.231   27.444 26.50085 37.81976 
1 1 1  -43    7   15 o  448.917   22.809 85162.59  8286.64 92685.93 11806.25 77857.41 11633.81  460.016   31.804  418.761   34.523 41.25418 46.93915 
1 1 1  -43    7   16 o  180.775   11.812 13513.79  1724.33 14500.90  2530.26 12657.83  2356.19  185.534   16.984  173.255   16.967 12.27861 24.00696 
1 1 1  -43    7   17 o  133.505   12.496  7464.52  1338.87  6665.28  1949.88  8177.50  1841.65  123.114   20.207  138.177   16.757 -15.06258 26.25139 
1 1 1  -43    7   18 o  139.460   12.750  8215.42  1427.84  8495.85  2064.45  7958.26  1976.94  138.815   18.800  134.392   18.617 4.422958 26.45776 
1 1 1  -43    7   19 o  172.692   19.351 13390.63  2666.75   0.0000   0.0000 13390.63  2666.75  ?   ?   172.692   19.351 0.000000 19.35099 
1 1 1  -43    7   20 o   57.956   9.9582  1443.75  451.735  1634.76  483.251  121.033  1271.71   61.748   9.9789   44.234   19.171 17.51437 21.61236 
1 1 1  -43    7   21 o  135.778   10.640  7880.40  1163.69  8501.59  1357.68  6160.57  2259.07  140.080   12.054  107.086   26.197 32.99382 28.83686 
1 1 1  -43    7   22 o   35.424   16.910 -1230.8090  1359.58   0.0000   0.0000 -1230.8090  1359.58  ?   ?    35.424   16.910 0.000000 16.91037 
1 1 1  -43    7   23 o   83.566   10.016  3076.59  666.074  3076.59  666.074   0.0000   0.0000   83.566   10.016  ?   ?  0.000000 10.01606 
1 1 1  -43    7   24 o   56.260   11.432  1492.93  504.404  1492.93  504.404   0.0000   0.0000   56.260   11.432  ?   ?  0.000000 11.43171 
1 1 1  -43    7   25 o   81.731   11.207  3233.97  724.120  3233.97  724.120   0.0000   0.0000   81.731   11.207  ?   ?  0.000000 11.20658 
1 1 1  -43    9    1 o  467.645   34.637 91024.91 13058.48   0.0000   0.0000 91024.91 13058.48  ?   ?   467.645   34.637 0.000000 34.63679 
1 1 1  -43    9    2 o  598.444   43.694 150867.20 21084.99   0.0000   0.0000 150867.20 21084.99  ?   ?   598.444   43.694 0.000000 43.69417 
1 1 1  -43    9    3 o  808.740   58.652 283237.69 38252.89 283237.69 38252.89   0.0000   0.0000  808.740   58.652  ?   ?  0.000000 58.65157 
1 1 1  -43    9    4 o  572.779   28.851 135672.30 13374.94 125342.60 19013.46 145790.91 18818.11  544.237   43.387  589.151   39.568 -44.91321 58.71974 
1 1 1  -43    9    5 o  409.621   20.345 68714.53  6766.75 68809.40  9632.89 68622.11  9507.60  407.010   29.345  406.563   28.991 0.4465332 41.25045 
1 1 1  -43    9    6 o  341.133   17.612 47702.23  4861.69 42974.75  6920.54 52308.51  6831.25  321.691   26.737  355.903   23.776 -34.21237 35.77949 
1 1 1  -43    9    7 o  312.848   16.435 40108.06  4160.15 33997.50  5924.69 46050.95  5842.83  285.936   25.796  334.191   21.649 -48.25467 33.67676 
1 1 1  -43    9    8 o  409.234   20.227 68745.75  6721.00   0.0000   0.0000 68745.75  6721.00  ?   ?   409.234   20.227 0.000000 20.22668 
1 1 1  -43    9    9 o  255.922   11.311 26693.25  2350.42 24136.08  4193.91 27864.22  2838.00  241.195   21.645  260.928   13.441 -19.73317 25.47882 
1 1 1  -43    9   10 o  181.838   8.8637 13459.83  1308.69 12332.42  2439.49 13915.40  1550.72  172.499   17.666  184.507   10.393 -12.00755 20.49670 
1 1 1  -43    9   11 o  240.605   10.503 23603.92  2051.94 26729.95  3692.52 22207.32  2468.10  254.377   17.994  232.737   13.114 21.63953 22.26534 
1 1 1  -43    9   12 f   71.821   8.1512  2127.24  466.925  2107.62  1095.73  2131.60  516.132   70.283   18.824   71.765   9.0594 -1.482010 20.89021 
1 1 1  -43    9   13 o  299.004   12.846 36612.35  3118.75 35404.82  5547.17 37170.46  3771.22  290.138   23.755  300.294   15.520 -10.15637 28.37525 
1 1 1  -43    9   14 o  364.251   15.104 54651.79  4467.24 57699.33  7886.87 53212.20  5420.62  367.939   26.578  357.585   18.735 10.35382 32.51736 
1 1 1  -43    9   15 o  371.851   15.653 57291.92  4726.17 56480.51  8352.01 57674.13  5732.21  359.720   28.837  370.821   19.103 -11.10034 34.59055 
1 1 1  -43    9   16 o  179.768   9.8263 13310.11  1428.88 10689.43  2597.21 14447.61  1711.11  157.054   20.884  186.883   11.330 -29.82883 23.75979 
1 1 1  -43    9   17 o  108.604   9.0629  4886.63  791.892  697.840  1681.58  6080.27  897.658   56.254   23.060  121.190   9.1907 -64.93677 24.82383 
1 1 1  -43    9   18 o   71.691   10.559  2179.39  596.218  721.330  1457.57  2472.38  653.381   53.148   21.591   76.363   10.842 -23.21513 24.16039 
1 1 1  -43    9   19 o   53.619   12.810  1266.17  550.062   38.467  1468.78  1466.45  593.234   46.822   20.444   57.712   12.975 -10.89036 24.21356 
1 1 1  -43    9   20 f   86.649   10.133  3195.74  699.474  4202.48  1544.20  2935.86  784.580   93.450   20.877   82.204   12.118 11.24564 24.13944 
1 1 1  -43    9   21 o  123.404   10.470  6526.40  1039.22  5889.67  2112.64  6729.65  1193.62  104.955   25.124  124.340   11.971 -19.38430 27.83038 
1 1 1  -43    9   22 o   31.907   13.063  239.475  538.823  2781.85  1833.64  -0.8099  563.711   69.119   25.182   29.139   12.696 39.97926 28.20140 
1 1 1  -43    9   23 o   77.974   14.245  2916.99  868.625  178.079  2264.22  3389.64  940.593   48.695   22.811   84.146   14.277 -35.45069 26.91092 
1 1 1  -43    9   24 o   21.002   10.387 -1209.0880  653.057   0.0000   0.0000 -1209.0880  653.057  ?   ?    21.002   10.387 0.000000 10.38690 
1 1 1  -43    9   25 o   30.519   13.482  203.427  656.024   0.0000   0.0000  203.427  656.024  ?   ?    30.519   13.482 0.000000 13.48211 
1 1 1  -43   11    1 f  213.064   19.986 18731.95  3417.25   0.0000   0.0000 18731.95  3417.25  ?   ?   213.064   19.986 0.000000 19.98636 
1 1 1  -43   11    2 o  111.659   20.117  5255.55  1756.80   0.0000   0.0000  5255.55  1756.80  ?   ?   111.659   20.117 0.000000 20.11704 
1 1 1  -43   11    3 o  274.112   13.530 30619.84  3011.32 22945.13  5243.46 34396.85  3678.42  234.232   28.133  289.922   15.684 -55.68982 32.20917 
1 1 1  -43   11    4 o  394.160   20.074 63785.99  6403.37 63260.33  9192.83 64281.41  8924.59  390.107   29.235  393.605   28.110 -3.497223 40.55630 
1 1 1  -43   11    5 o  266.387   14.626 29037.09  3151.39 26390.39  4558.08 31460.85  4361.88  252.533   22.464  276.488   19.556 -23.95518 29.78327 
1 1 1  -43   11    6 o  224.027   13.037 20529.63  2361.15 15913.59  3416.61 24749.68  3266.77  195.655   21.881  245.540   16.481 -49.88486 27.39339 
1 1 1  -43   11    7 o  264.192   14.651 28586.20  3130.56 23484.42  4500.48 33369.05  4357.54  237.613   23.640  284.709   18.958 -47.09576 30.30305 
1 1 1  -43   11    8 o  365.909   26.676 55775.91  7871.03   0.0000   0.0000 55775.91  7871.03  ?   ?   365.909   26.676 0.000000 26.67610 
1 1 1  -43   11    9 o  295.752   11.990 35679.95  2879.25 39700.30  5155.35 33857.45  3471.05  309.888   20.606  287.348   14.928 22.53979 25.44552 
1 1 1  -43   11   10 o  135.127   7.5627  7451.90  826.440  8370.36  1658.94  7148.72  953.132  142.300   14.563  132.201   8.9318 10.09912 17.08386 
1 1 1  -43   11   11 o  175.223   8.4065 12502.59  1196.04 16134.17  2284.20 11130.80  1403.88  197.986   14.305  164.858   10.543 33.12802 17.77059 
1 1 1  -43   11   12 o  292.485   12.724 35008.35  3021.79 34582.80  5419.63 35200.32  3640.13  287.113   23.452  292.361   15.388 -5.247650 28.05022 
1 1 1  -43   11   13 o  117.442   8.1690  5648.16  774.138  3344.42  1650.18  6298.22  876.582   87.821   22.904  123.970   8.7649 -36.14927 24.52345 
1 1 1  -43   11   14 o  347.064   14.315 49636.18  4034.02 56239.24  7181.97 46592.81  4875.83  363.587   24.470  334.362   18.026 29.22516 30.39260 
1 1 1  -43   11   15 o  224.700   10.569 20728.24  1928.31 21829.36  3590.98 20282.07  2285.83  226.749   19.700  221.355   12.772 5.393692 23.47805 
1 1 1  -43   11   16 o  165.657   9.2876 11311.40  1244.22 11492.65  2387.33 11243.81  1457.87  163.545   18.291  164.674   10.966 -1.128601 21.32640 
1 1 1  -43   11   17 o  119.512   9.4354  5931.35  908.162  5109.11  1915.35  6169.82  1031.48  105.321   23.038  121.570   10.554 -16.24858 25.34079 
1 1 1  -43   11   18 o   72.758   11.801  2271.75  673.270  748.623  1567.10  2616.53  745.588   54.360   22.270   78.079   12.156 -23.71912 25.37137 
1 1 1  -43   11   19 o   72.900   12.238  2307.96  698.745  1327.29  1668.34  2516.57  769.486   59.696   23.480   75.920   12.947 -16.22396 26.81315 
1 1 1  -43   11   20 o  234.630   12.077 23649.38  2293.04 22854.87  4383.37 23948.72  2690.54  210.825   26.169  233.624   14.252 -22.79884 29.79822 
1 1 1  -43   11   21 o  173.021   10.258 12819.80  1434.69 22359.61  2908.29  9751.54  1649.35  220.219   16.382  147.634   13.923 72.58456 21.49952 
1 1 1  -43   11   22 o   61.705   14.816  1822.68  732.927  2673.95  1756.05  1643.10  806.535   67.073   24.612   57.689   16.427 9.384109 29.59081 
1 1 1  -43   11   23 o   68.162   15.816  2365.40  858.454  1270.96  2071.24  2592.40  943.288   51.947   23.381   70.606   16.713 -18.65879 28.74032 
1 1 1  -43   11   24 o   45.595   16.751  1172.40  813.806   0.0000   0.0000  1172.40  813.806  ?   ?    45.595   16.751 0.000000 16.75121 
1 1 1  -43   13    1 o  123.731   20.111  6426.22  1951.05   0.0000   0.0000  6426.22  1951.05  ?   ?   123.731   20.111 0.000000 20.11076 
1 1 1  -43   13    2 o  292.891   16.543 35146.32  3918.06   0.0000   0.0000 35146.32  3918.06  ?   ?   292.891   16.543 0.000000 16.54273 
1 1 1  -43   13    3 o  506.355   23.430 105396.40  9633.03 79703.87 16827.36 117920.40 11748.58  429.072   49.189  533.795   27.197 -104.7229 56.20648 
1 1 1  -43   13    4 o  491.289   26.738 99948.72 10625.90 81012.20 15246.84 117832.50 14816.96  434.940   43.767  530.144   34.611 -95.20483 55.79898 
1 1 1  -43   13    5 o  211.325   12.454 18264.70  2127.57 18884.29  3173.23 17758.71  2867.60  213.975   18.444  207.676   17.159 6.299103 25.19203 
1 1 1  -43   13    6 o  309.110   16.979 39212.95  4245.25 33929.14  6132.28 44075.66  5882.85  285.111   26.804  326.538   22.322 -41.42627 34.88134 
1 1 1  -43   13    7 o  340.374   18.232 47633.79  5020.43 42672.82  7219.80 52278.51  6985.90  319.302   28.135  354.911   24.390 -35.60809 37.23489 
1 1 1  -43   13    8 o  150.299   10.816  9253.56  1311.17  7308.68  1988.30 10750.14  1744.16  132.067   19.096  161.700   13.405 -29.63295 23.33147 
1 1 1  -43   13    9 f  174.549   9.2745 12443.22  1309.74  9951.53  2514.94 13370.49  1534.21  154.060   20.622  180.808   10.495 -26.74805 23.13930 
1 1 1  -43   13   10 o  580.236   20.938 139176.80  9864.62 172663.09 17313.45 123080.70 12003.58  636.591   33.615  541.593   27.385 94.99841 43.35750 
1 1 1  -43   13   11 o  441.359   20.858 80718.44  7474.97 90863.13 10803.50 71401.65 10353.28  463.218   28.867  408.858   31.427 54.36023 42.67301 
1 1 1  -43   13   12 o   55.255   9.8505  1283.16  425.736  3406.85  1222.47  990.040  454.168   89.379   17.471   48.246   11.712 41.13333 21.03318 
1 1 1  -43   13   13 o  305.710   12.902 38369.60  3202.52 42281.54  5827.83 36677.25  3833.16  316.451   22.834  297.626   15.919 18.82468 27.83583 
1 1 1  -43   13   14 o  152.550   8.8182  9544.58  1087.62  9702.59  2286.13  9498.35  1236.52  151.088   19.059  151.944   10.080 -0.8559265 21.56048 
1 1 1  -43   13   15 o  260.175   12.181 27990.32  2573.23 24956.39  4776.65 29230.79  3054.31  237.740   25.125  264.632   14.267 -26.89265 28.89367 
1 1 1  -43   13   16 f  236.457   11.391 23195.35  2186.96 24441.49  4158.05 22718.80  2571.34  235.160   22.033  232.558   13.677 2.601303 25.93345 
1 1 1  -43   13   17 o   83.184   10.280  2913.15  679.557  3312.65  1547.77  2817.75  756.358   84.403   22.264   81.338   11.797 3.064941 25.19572 
1 1 1  -43   13   18 o  139.132   9.7061  8093.93  1089.63  5854.18  2280.83  8756.28  1240.33  108.719   26.156  144.313   10.660 -35.59463 28.24478 
1 1 1  -43   13   19 o   87.726   12.427  3340.08  860.414  529.645  2055.45  3937.18  947.415   56.153   24.354   95.302   12.548 -39.14915 27.39707 
1 1 1  -43   13   20 o   91.118   12.101  3629.91  873.150  1641.97  2250.56  3982.16  947.355   63.409   26.399   95.245   12.556 -31.83596 29.23291 
1 1 1  -43   13   21 o   24.804   11.681 -554.5696  607.391  1075.99  1624.88 -819.4177  654.865   53.509   22.367   24.095   11.565 29.41409 25.18025 
1 1 1  -43   13   22 o   35.286   14.598  334.103  682.005 -1036.6980  2346.01  460.646  712.790   45.386   21.812   37.426   15.136 7.960106 26.54897 
1 1 1  -43   13   23 f   84.289   17.902  3872.14  1187.41  3653.76  2985.92  3913.16  1294.14   60.800   27.648   82.443   19.617 -21.64242 33.90020 
1 1 1  -43   13   24 o   34.364   14.908  386.111  770.615   0.0000   0.0000  386.111  770.615  ?   ?    34.364   14.908 0.000000 14.90814 
1 1 1  -43   15    1 o  565.073   42.351 135894.91 19290.00   0.0000   0.0000 135894.91 19290.00  ?   ?   565.073   42.351 0.000000 42.35057 
1 1 1  -43   15    2 o  270.237   15.888 29934.96  3470.82   0.0000   0.0000 29934.96  3470.82  ?   ?   270.237   15.888 0.000000 15.88779 
1 1 1  -43   15    3 o  478.283   20.653 93891.09  8020.48 85553.98 14118.23 97863.87  9745.84  448.786   39.135  486.547   24.751 -37.76172 46.30543 
1 1 1  -43   15    4 o  470.978   29.654 92536.84 11282.42 49165.14 16279.42 132622.91 15650.65  326.355   63.720  561.614   34.488 -235.2591 72.45474 
1 1 1  -43   15    5 o  361.465   20.467 53850.50  5982.42 43415.80  8716.26 63144.02  8225.84  320.082   34.061  389.727   26.146 -69.64468 42.93895 
1 1 1  -43   15    6 o  457.776   24.381 86880.41  9029.80 77622.74 12996.05 95521.01 12555.47  426.368   37.936  476.214   32.668 -49.84521 50.06339 
1 1 1  -43   15    7 o  542.409   39.628 126354.60 17331.93   0.0000   0.0000 126354.60 17331.93  ?   ?   542.409   39.628 0.000000 39.62760 
1 1 1  -43   15    8 o  302.176   16.482 37554.93  4028.80 37355.55  5873.50 37732.09  5536.57  299.096   24.398  301.131   22.813 -2.034454 33.40184 
1 1 1  -43   15    9 f  429.572   22.446 76685.40  7801.84 73161.99 11190.21 80018.07 10883.12  413.708   33.603  434.323   31.066 -20.61514 45.76255 
1 1 1  -43   15   10 o  436.119   19.225 78560.79  6807.74 70923.92 12110.39 82088.97  8231.43  403.524   37.386  443.661   22.928 -40.13690 43.85703 
1 1 1  -43   15   11 o  360.081   20.266 53967.66  5901.19 46147.19  8663.61 60736.55  8060.12  326.189   33.172  378.908   26.362 -52.71872 42.37194 
1 1 1  -43   15   12 o  148.172   8.8594  8990.60  1060.99  6672.99  2319.56  9603.80  1193.12  124.008   23.903  153.040   9.6510 -29.03151 25.77789 
1 1 1  -43   15   13 o  150.745   8.4602  9309.97  1031.34 10671.33  2242.46  8944.76  1161.47  159.150   17.650  147.527   9.7511 11.62331 20.16484 
1 1 1  -43   15   14 o   56.967   11.571  1384.62  516.971  2129.72  1447.66  1275.71  553.464   70.607   22.449   54.484   12.739 16.12252 25.81184 
1 1 1  -43   15   15 o  186.959   9.9720 14447.69  1508.33 15102.28  3096.75 14244.10  1727.04  185.777   20.892  185.074   11.550 0.7033234 23.87204 
1 1 1  -43   15   16 o  118.062   9.3595  5790.50  889.870  5535.62  2163.35  5842.41  976.288  108.451   25.069  118.323   10.263 -9.871704 27.08868 
1 1 1  -43   15   17 o   39.726   13.953  607.517  557.389  252.526  1705.14  649.987  589.791   51.873   22.340   40.946   14.354 10.92700 26.55409 
1 1 1  -43   15   18 o   22.787   10.729 -521.8984  512.018 -1739.9750  1397.87 -333.1516  550.260   34.988   16.820   25.682   11.751 9.306208 20.51858 
1 1 1  -43   15   19 o   42.593   14.890  743.689  634.397 -2224.4629  1678.30  1238.49  685.237   36.952   17.926   52.260   15.221 -15.30809 23.51631 
1 1 1  -43   15   20 o   67.329   14.071  2074.26  744.452  3885.80  2005.12  1784.63  801.760   82.533   26.440   61.514   15.927 21.01958 30.86615 
1 1 1  -43   15   21 o   43.056   15.098  824.994  652.486  2390.89  2030.10  644.599  689.045   64.285   25.703   40.316   15.291 23.96891 29.90716 
1 1 1  -43   15   22 o   55.567   18.872  1693.66  1016.69 -1233.9220  2860.12  2117.09  1087.73   46.599   22.781   61.362   19.454 -14.76308 29.95702 
1 1 1  -43   15   23 o   25.106   11.950 -549.8287  668.622 -2156.6169  2998.59 -465.7603  685.890   41.471   20.784   26.071   12.319 15.40075 24.16000 
1 1 1  -43   17    1 o  384.372   20.438 60843.90  6355.63   0.0000   0.0000 60843.90  6355.63  ?   ?   384.372   20.438 0.000000 20.43773 
1 1 1  -43   17    2 o   83.584   11.613  2901.30  766.838   0.0000   0.0000  2901.30  766.838  ?   ?    83.584   11.613 0.000000 11.61280 
1 1 1  -43   17    3 o  374.433   17.214 57420.92  5233.66 54346.28  9405.59 58799.87  6298.89  358.895   32.633  377.646   20.620 -18.75153 38.60142 
1 1 1  -43   17    4 o  475.377   20.322 92931.57  7843.93 82006.96 13789.82 98157.02  9537.13  437.521   39.234  487.296   24.104 -49.77448 46.04654 
1 1 1  -43   17    5 o  227.123   13.735 21149.75  2520.98 22269.73  3920.46 20360.17  3291.79  231.587   21.080  221.951   18.432 9.636261 28.00197 
1 1 1  -43   17    6 o  666.600   34.884 188719.70 18815.50 178562.20 26928.00 198410.00 26301.33  630.498   53.094  669.838   48.691 -39.33978 72.04014 
1 1 1  -43   17    7 o  368.239   27.400 56948.64  8133.80   0.0000   0.0000 56948.64  8133.80  ?   ?   368.239   27.400 0.000000 27.39968 
1 1 1  -43   17    8 o  146.257   11.969  8795.25  1408.94  7785.24  2356.01  9357.56  1757.92  135.395   22.200  150.448   14.573 -15.05267 26.55621 
1 1 1  -43   17    9 o  127.444   11.739  6692.71  1201.13  5932.30  2043.15  7094.32  1484.81  117.685   22.196  130.811   14.208 -13.12577 26.35352 
1 1 1  -43   17   10 o  251.998   15.061 26193.75  3067.58 25109.85  4584.14 27072.71  4128.05  244.005   23.426  254.657   20.128 -10.65186 30.88535 
1 1 1  -43   17   11 f   98.415   8.1427  3976.13  644.835  869.766  1657.98  4529.75  699.943   59.091   23.355  105.069   8.2713 -45.97796 24.77601 
1 1 1  -43   17   12 o  144.204   8.5786  8524.49  999.930  8122.49  2221.66  8626.61  1119.76  137.680   20.498  144.899   9.5714 -7.218842 22.62285 
1 1 1  -43   17   13 o  217.969   10.302 19520.13  1823.36 19729.72  3640.62 19449.96  2106.62  214.176   21.214  216.799   12.014 -2.623123 24.37948 
1 1 1  -43   17   14 o   28.023   11.516  111.133  420.706 -985.5549  1421.12  216.477  440.449   40.279   18.595   30.412   12.032 9.867044 22.14844 
1 1 1  -43   17   15 o  101.496   9.2360  4282.14  752.822  5025.71  2030.21  4163.60  810.612  103.796   24.486   99.830   10.141 3.965446 26.50250 
1 1 1  -43   17   16 o  141.520   10.069  8359.38  1149.44  1182.06  2700.49  9947.39  1270.25   67.990   28.652  154.385   10.191 -86.39439 30.41018 
1 1 1  -43   17   17 o   32.532   13.488  157.530  583.967  4286.78  1791.42 -333.4260  617.708   93.989   23.528   27.575   12.553 66.41345 26.66753 
1 1 1  -43   17   18 o   82.022   11.688  2909.42  756.399  2086.06  1954.34  3054.49  820.331   67.509   25.717   83.750   12.441 -16.24100 28.56810 
1 1 1  -43   17   19 o   67.277   14.735  2074.73  782.666  5723.46  2330.35  1610.82  830.932  100.887   27.634   58.549   16.675 42.33851 32.27468 
1 1 1  -43   17   20 o   57.458   15.968  1584.11  771.765  1481.55  2522.70  1594.70  810.631   60.551   26.606   57.438   16.506 3.113197 31.30998 
1 1 1  -43   17   21 o   59.762   19.534  1931.45  1091.07 -1483.1920  2402.21  2818.95  1224.68   44.258   21.465   71.611   20.191 -27.35228 29.46868 
1 1 1  -43   17   22 f   77.412   20.110  3533.11  1275.40  3516.80  2851.49  3537.19  1425.99   60.715   27.371   74.388   22.040 -13.67337 35.14155 
1 1 1  -43   17   23 o   61.996   21.840  2956.90  1366.37   0.0000   0.0000  2956.90  1366.37  ?   ?    61.996   21.840 0.000000 21.83994 
1 1 1  -43   19    1 o  199.137   13.815 16276.29  2219.93   0.0000   0.0000 16276.29  2219.93  ?   ?   199.137   13.815 0.000000 13.81481 
1 1 1  -43   19    2 o  199.329   14.444 16327.01  2321.89   0.0000   0.0000 16327.01  2321.89  ?   ?   199.329   14.444 0.000000 14.44403 
1 1 1  -43   19    3 o  314.482   16.099 40617.69  4097.04 34763.24  7558.91 43053.08  4875.29  285.471   33.233  323.169   18.659 -37.69785 38.11237 
1 1 1  -43   19    4 o  413.709   19.606 70467.30  6586.14 60432.24 11724.90 75093.34  7960.75  373.703   39.226  425.321   23.139 -51.61850 45.54175 
1 1 1  -43   19    5 o  215.667   12.689 19066.43  2212.19 15759.58  4017.32 20505.55  2650.20  192.792   26.353  223.329   14.697 -30.53670 30.17444 
1 1 1  -43   19    6 f  422.403   31.340 75786.35 10672.25   0.0000   0.0000 75786.35 10672.25  ?   ?   422.403   31.340 0.000000 31.33994 
1 1 1  -43   19    7 o  346.425   19.178 49687.53  5373.36 48962.60  8014.81 50279.40  7241.98  339.512   29.363  345.716   25.989 -6.203461 39.21220 
1 1 1  -43   19    8 o  140.780   12.182  8166.60  1378.74  7761.29  2416.78  8362.15  1678.72  134.738   22.911  141.983   14.778 -7.245026 27.26347 
1 1 1  -43   19    9 o  271.993   17.153 30672.44  3768.78 24215.49  5741.42 35561.11  4995.75  236.102   30.674  291.370   21.263 -55.26768 37.32270 
1 1 1  -43   19   10 o   70.862   25.621  1834.36  1892.94  1834.36  1892.94   0.0000   0.0000   70.862   25.621  ?   ?  0.000000 25.62131 
1 1 1  -43   19   11 o  262.310   15.964 28676.10  3384.03 28935.32  5158.07 28480.21  4483.91  258.846   24.847  258.702   21.542 0.1442261 32.88520 
1 1 1  -43   19   12 f   67.641   8.8834  1905.86  476.092  2265.70  1664.39  1873.80  496.852   73.174   24.136   66.959   9.3973 6.215187 25.90096 
1 1 1  -43   19   13 o  197.001   10.837 16077.39  1726.74 13370.01  3753.01 16804.41  1944.81  170.223   28.136  200.980   11.972 -30.75661 30.57734 
1 1 1  -43   19   14 f  168.484   9.8079 11765.53  1335.95 10153.42  3040.52 12151.22  1487.20  147.565   26.343  170.876   10.774 -23.31081 28.46068 
1 1 1  -43   19   15 o  138.256   9.6405  7956.79  1075.46  4774.52  2657.80  8579.86  1176.04   97.297   30.349  143.396   10.166 -46.09949 32.00663 
1 1 1  -43   19   16 o  104.421   9.8972  4581.18  829.123  655.937  2315.12  5158.70  888.026   60.539   26.052  110.829   9.9750 -50.29001 27.89609 
1 1 1  -43   19   17 o  113.355   9.8182  5418.54  894.749  3335.07  2363.28  5767.16  966.713   80.160   28.671  116.754   10.303 -36.59367 30.46558 
1 1 1  -43   19   18 o   33.085   13.764  182.486  611.103  247.023  2245.03  177.322  635.084   54.877   24.548   33.509   13.993 21.36777 28.25639 
1 1 1  -43   19   19 o   38.432   14.833  518.691  655.803 -2679.3821  2064.47  877.624  691.626   39.421   19.289   44.786   15.553 -5.364380 24.77839 
1 1 1  -43   19   20 o   44.203   18.252  673.308  1063.19  1063.52  2780.15  606.465  1150.66   57.076   26.226   44.363   18.699 12.71285 32.20957 
1 1 1  -43   19   21 o   70.560   20.829  2947.68  1275.53  4820.33  2837.73  2473.53  1427.91   71.061   29.619   62.528   22.294 8.532711 37.07174 
1 1 1  -43   19   22 o   32.851   15.463 -330.0875  1061.77 -1035.9250  3442.43 -255.8793  1116.19   44.415   22.260   33.956   15.942 10.45891 27.38000 
1 1 1  -43   21    1 o  155.798   13.889 10005.62  1738.55   0.0000   0.0000 10005.62  1738.55  ?   ?   155.798   13.889 0.000000 13.88889 
1 1 1  -43   21    2 o  334.448   20.487 46341.00  5536.76   0.0000   0.0000 46341.00  5536.76  ?   ?   334.448   20.487 0.000000 20.48738 
1 1 1  -43   21    3 f  111.771   13.650  5185.54  1213.05   0.0000   0.0000  5185.54  1213.05  ?   ?   111.771   13.650 0.000000 13.64982 
1 1 1  -43   21    4 o  411.400   20.449 69982.51  6830.73 61472.55 12342.71 73739.61  8201.13  373.480   41.397  420.166   24.140 -46.68652 47.92180 
1 1 1  -43   21    5 o  185.561   14.505 14202.01  2168.04   0.0000   0.0000 14202.01  2168.04  ?   ?   185.561   14.505 0.000000 14.50476 
1 1 1  -43   21    6 o  106.628   12.974  4723.08  1100.11  3645.49  2328.75  5032.65  1248.17   92.501   28.336  109.854   14.335 -17.35251 31.75523 
1 1 1  -43   21    7 o  333.079   19.003 46132.11  5117.96 46471.29  7819.84 45877.95  6769.10  328.869   29.602  329.060   25.535 -0.1904907 39.09324 
1 1 1  -43   21    8 o  440.129   22.756 81610.12  8104.47 89900.77 11992.68 74641.38 10995.08  453.325   32.803  412.632   33.095 40.69351 46.59756 
1 1 1  -43   21    9 o  307.950   28.699 41389.51  7093.42 41389.51  7093.42   0.0000   0.0000  307.950   28.699  ?   ?  0.000000 28.69909 
1 1 1  -43   21   10 o  171.193   14.077 12216.11  1939.47  8962.72  3267.65 13985.60  2409.86  140.243   29.624  182.415   16.447 -42.17154 33.88353 
1 1 1  -43   21   11 o  107.047   14.122  4845.43  1197.53  4277.69  2359.33  5042.46  1389.88   96.504   28.283  108.562   16.269 -12.05798 32.62836 
1 1 1  -43   21   12 o  254.872   10.957 26865.02  2267.46 32649.56  5014.45 25378.25  2542.21  271.958   22.922  246.623   12.739 25.33496 26.22381 
1 1 1  -43   21   13 f   75.989   9.1185  2412.88  551.379  5408.71  2279.65  2226.73  568.251  106.778   26.434   72.775   9.8712 34.00307 28.21720 
1 1 1  -43   21   14 o  111.655   9.4458  5196.16  848.320  118.178  2619.93  5790.91  896.624   61.235   27.003  117.911   9.4444 -56.67659 28.60665 
1 1 1  -43   21   15 o   87.090   9.9111  3197.04  688.371 -46.4025  2441.20  3477.22  717.487   57.677   25.714   90.878   9.8827 -33.20127 27.54745 
1 1 1  -43   21   16 o   40.899   13.297  704.448  505.839  2611.37  2422.61  617.522  517.240   74.171   28.542   39.171   13.459 35.00003 31.55584 
1 1 1  -43   21   17 o   34.710   13.470  372.457  543.175  3154.26  2581.90  243.635  555.610   76.532   29.461   32.860   13.337 43.67202 32.33929 
1 1 1  -43   21   18 o   40.437   14.374  673.323  593.141  4841.62  2824.51  481.024  606.669   86.029   31.268   37.233   14.294 48.79639 34.37983 
1 1 1  -43   21   19 o   56.494   20.432  1623.71  1203.95  404.127  3151.55  1832.10  1302.75   56.854   26.722   59.078   21.270 -2.224209 34.15414 
1 1 1  -43   21   20 o   48.771   19.762  1136.34  1217.74  1349.56  3371.75  1104.36  1305.89   56.278   26.800   48.812   20.198 7.465614 33.55902 
1 1 1  -43   21   21 o   29.523   13.976 -532.2701  890.513 -2048.6279  3571.15 -431.7278  919.563   44.507   22.357   30.638   14.411 13.86892 26.59921 
1 1 1  -43   23    1 o   98.521   14.955  4073.17  1158.72   0.0000   0.0000  4073.17  1158.72  ?   ?    98.521   14.955 0.000000 14.95476 
1 1 1  -43   23    2 o  158.592   15.171 10426.45  1929.72   0.0000   0.0000 10426.45  1929.72  ?   ?   158.592   15.171 0.000000 15.17076 
1 1 1  -43   23    3 o  224.476   16.345 20866.22  2958.66   0.0000   0.0000 20866.22  2958.66  ?   ?   224.476   16.345 0.000000 16.34477 
1 1 1  -43   23    4 o  297.029   19.026 36730.72  4564.46   0.0000   0.0000 36730.72  4564.46  ?   ?   297.029   19.026 0.000000 19.02571 
1 1 1  -43   23    5 o   79.189   14.585  2659.96  903.257  3778.27  2479.77  2488.88  969.887   93.779   29.325   76.254   16.166 17.52470 33.48618 
1 1 1  -43   23    6 o  123.952   13.120  6384.66  1300.35  3744.03  2760.63  7137.60  1474.13   93.967   31.089  130.913   14.090 -36.94656 34.13261 
1 1 1  -43   23    7 f  193.704   15.153 15621.84  2364.30 13219.94  4232.88 16710.99  2850.38  171.147   31.625  199.467   17.786 -28.31981 36.28318 
1 1 1  -43   23    8 o  104.483   29.030  4965.87  2551.06  4965.87  2551.06   0.0000   0.0000  104.483   29.030  ?   ?  0.000000 29.02953 
1 1 1  -43   23    9 o  102.760   13.823  4457.89  1124.07  4435.11  2306.85  4464.99  1287.23   98.476   27.692  102.190   16.042 -3.714218 32.00311 
1 1 1  -43   23   10 o   65.330   16.535  1867.64  877.879  2912.56  2045.83  1631.81  971.908   81.199   26.758   61.388   18.198 19.81179 32.35962 
1 1 1  -43   23   11 o  101.536   15.171  4428.91  1212.38  2593.93  2716.33  4885.39  1354.81   80.205   30.374  106.349   16.201 -26.14393 34.42508 
1 1 1  -43   23   12 o   92.751   8.7109  3573.83  648.334  2164.04  2461.11  3678.96  672.073   74.475   28.737   94.070   8.9049 -19.59502 30.08503 
1 1 1  -43   23   13 o  195.228   10.543 15909.58  1665.13 14942.56  4213.66 16088.54  1812.67  172.386   31.255  195.848   11.449 -23.46233 33.28545 
1 1 1  -43   23   14 o   22.795   10.259 -180.1736  398.695 -2210.7271  2640.40 -132.7958  403.319   50.166   23.840   23.570   10.484 26.59686 26.04364 
1 1 1  -43   23   15 o  104.997   9.7945  4649.81  825.381  9085.74  3307.78  4355.28  852.342  128.015   31.930  101.302   10.516 26.71361 33.61671 
1 1 1  -43   23   16 o   95.177   10.390  3871.26  789.871  6552.29  3432.33  3721.34  811.655  100.736   34.667   93.042   10.953 7.694344 36.35583 
1 1 1  -43   23   17 o   26.793   11.783 -70.6931  495.777 -2632.2620  3195.47  -7.5115  501.854   50.559   24.574   27.779   12.041 22.78020 27.36575 
1 1 1  -43   23   18 o   30.121   14.305 -863.5349  947.708  5988.23  3493.29 -1407.8900  984.635   84.713   33.767   27.924   13.588 56.78944 36.39866 
1 1 1  -43   23   19 o   45.138   19.239  712.631  1241.01  205.001  3938.69  768.581  1307.61   55.258   26.953   46.120   19.706 9.137970 33.38800 
1 1 1  -43   23   20 o   94.006   22.154  5514.85  1663.30  5807.33  4865.33  5476.15  1769.94   60.639   29.659   90.657   23.758 -30.01789 38.00066 
1 1 1  -43   25    1 o  335.233   20.949 47370.43  5673.79   0.0000   0.0000 47370.43  5673.79  ?   ?   335.233   20.949 0.000000 20.94933 
1 1 1  -43   25    2 o  336.582   20.723 47756.04  5636.00   0.0000   0.0000 47756.04  5636.00  ?   ?   336.582   20.723 0.000000 20.72327 
1 1 1  -43   25    3 o  395.217   23.281 66541.91  7437.82   0.0000   0.0000 66541.91  7437.82  ?   ?   395.217   23.281 0.000000 23.28057 
1 1 1  -43   25    4 o  166.386   14.801 11549.41  1978.68  7042.33  4499.16 12630.17  2203.18  122.595   39.640  173.741   15.790 -51.14586 42.66896 
1 1 1  -43   25    5 o  234.492   15.483 22951.53  2931.33 22406.13  5977.87 23124.20  3363.48  220.416   34.536  234.352   17.809 -13.93655 38.85735 
1 1 1  -43   25    6 o  179.647   14.799 13505.59  2139.49 12289.05  4553.97 13850.16  2423.62  160.438   35.860  181.230   16.656 -20.79201 39.53914 
1 1 1  -43   25    7 o  165.431   25.026 12180.91  3256.56 13711.90  3998.35  9163.91  5612.84  172.890   29.543  132.861   44.347 40.02982 53.28643 
1 1 1  -43   25    8 o  113.852   15.333  5524.35  1381.38  7318.90  3195.04  5111.77  1531.96  123.500   31.701  108.493   18.023 15.00791 36.46612 
1 1 1  -43   25    9 o   71.553   16.823  2253.82  960.957  1610.28  2413.52  2375.06  1047.57   70.775   28.113   73.263   17.788 -2.488190 33.26772 
1 1 1  -43   25   10 o  139.112   14.785  8249.35  1644.43  7831.41  3312.90  8386.00  1894.27  125.156   32.361  139.175   17.124 -14.01955 36.61214 
1 1 1  -43   25   11 o  250.248   18.364 27331.80  3705.31 24692.16  6351.09 28693.87  4562.20  215.987   37.579  252.109   22.524 -36.12196 43.81245 
1 1 1  -43   25   12 o  140.754   9.3906  8248.79  1067.07  6898.39  3828.27  8362.54  1111.10  110.686   36.610  141.599   9.7228 -30.91343 37.87871 
1 1 1  -43   25   13 o   64.582   9.7813  1774.50  496.854  8076.37  3239.19  1622.66  502.804  121.982   32.223   61.508   10.441 60.47390 33.87244 
1 1 1  -43   25   14 f   20.689   9.4561 -220.8886  355.004  676.203  2727.51 -236.3480  358.050   62.529   27.564   20.608   9.4477 41.92194 29.13783 
1 1 1  -43   25   15 o   72.377   10.659  2263.02  607.636  2560.38  3223.50  2252.06  618.728   73.340   31.126   72.099   10.910 1.240814 32.98297 
1 1 1  -43   25   16 o   63.166   12.473  1790.78  617.046 -137.5773  3799.45  1843.02  625.348   61.392   29.004   64.107   12.463 -2.715370 31.56804 
1 1 1  -43   25   17 o   66.191   22.566  2419.70  1453.63  8488.18  4400.13  1676.26  1540.10   91.972   37.455   57.792   22.611 34.18026 43.75119 
1 1 1  -43   25   18 o   26.940   13.303 -1839.7700  1057.42 -1128.8710  4376.01 -1883.8530  1089.71   53.876   26.688   27.330   13.498 26.54602 29.90707 
1 1 1  -43   25   19 o   79.036   22.638  4058.99  1527.14   60.888  5399.57  4406.61  1592.14   52.311   26.429   82.119   22.975 -29.80793 35.01920 
1 1 1  -43   27    1 o   26.798   12.091 -282.1727  557.731   0.0000   0.0000 -282.1727  557.731  ?   ?    26.798   12.091 0.000000 12.09057 
1 1 1  -43   27    2 o   82.794   17.080  2976.03  1110.09   0.0000   0.0000  2976.03  1110.09  ?   ?    82.794   17.080 0.000000 17.07980 
1 1 1  -43   27    3 o  155.060   17.105 10221.15  2117.69   0.0000   0.0000 10221.15  2117.69  ?   ?   155.060   17.105 0.000000 17.10460 
1 1 1  -43   27    4 o  346.585   22.910 52281.87  6410.94   0.0000   0.0000 52281.87  6410.94  ?   ?   346.585   22.910 0.000000 22.91030 
1 1 1  -43   27    5 o  171.576   15.602 12447.25  2149.84 10872.91  5139.13 12781.20  2366.90  144.113   41.602  173.223   17.049 -29.10995 44.95978 
1 1 1  -43   27    6 o   75.898   28.976  2156.70  2484.45  2976.13  3023.54  453.280  4359.34   85.225   32.100   79.215   34.886 6.010414 47.40740 
1 1 1  -43   27    7 o  219.065   17.040 20522.05  3007.15 20003.01  6305.54 20674.86  3421.28  194.551   41.199  218.192   19.517 -23.64073 45.58818 
1 1 1  -43   27    8 o  199.786   16.530 17112.09  2657.47 20691.26  5587.73 16065.89  3021.00  202.732   35.223  191.438   19.717 11.29391 40.36624 
1 1 1  -43   27    9 o   53.462   19.028  1125.25  1039.77  3170.26  3343.11  906.250  1094.03   85.486   33.350   51.092   19.294 34.39357 38.52935 
1 1 1  -43   27   10 o   76.989   18.610  2691.50  1150.47 -1572.8459  3239.69  3306.87  1230.68   59.297   27.616   85.636   18.257 -26.33891 33.10477 
1 1 1  -43   27   11 o  114.179   17.065  5790.01  1533.58  9009.66  4008.98  5238.10  1659.83  124.859   36.946  106.943   19.846 17.91667 41.93904 
1 1 1  -43   27   12 o   38.351   16.914 -126.8959  1028.18  1741.44  2793.81 -419.5855  1105.79   69.981   29.297   37.398   16.935 32.58345 33.83967 
1 1 1  -43   27   13 o  152.901   10.516  9903.00  1297.57 -860.5512  5053.34 10662.77  1342.59   69.478   33.007  158.704   10.478 -89.22664 34.63020 
1 1 1  -43   27   14 o   30.439   11.019  340.156  350.263 -2444.1860  3488.36  368.513  352.042   54.347   26.238   31.148   11.074 23.19944 28.47931 
1 1 1  -43   27   15 o   79.222   22.762  3347.24  1541.77  5387.04  4703.94  3101.74  1631.92   81.809   36.123   75.400   23.821 6.409508 43.27015 
1 1 1  -43   27   16 o   89.573   23.157  4497.86  1696.58  5425.87  4603.76  4352.02  1825.03   75.900   34.443   85.912   24.789 -10.01152 42.43605 
1 1 1  -43   27   17 o   40.427   18.375   28.022  1316.90  3598.68  4431.50 -317.8415  1379.21   63.806   30.479   38.963   18.103 24.84356 35.44999 
1 1 1  -43   27   18 o   49.304   20.928  1354.52  1457.46  661.773  4996.72  1418.93  1523.71   52.469   26.368   49.918   21.298 2.550930 33.89549 
1 1 1  -43   29    1 o  160.249   18.523 11088.94  2365.70   0.0000   0.0000 11088.94  2365.70  ?   ?   160.249   18.523 0.000000 18.52266 
1 1 1  -43   29    2 o  290.737   21.600 36971.00  5062.78   0.0000   0.0000 36971.00  5062.78  ?   ?   290.737   21.600 0.000000 21.60048 
1 1 1  -43   29    3 f   48.273   18.626  711.087  1033.91   0.0000   0.0000  711.087  1033.91  ?   ?    48.273   18.626 0.000000 18.62616 
1 1 1  -43   29    4 o  176.696   42.269 16952.37  5982.97   0.0000   0.0000 16952.37  5982.97  ?   ?   176.696   42.269 0.000000 42.26910 
1 1 1  -43   29    5 o  156.490   17.541 10604.39  2190.45 13126.14  6097.68 10230.76  2347.11  148.868   45.893  152.663   19.371 -3.794556 49.81345 
1 1 1  -43   29    6 o  250.609   19.320 27483.95  3901.04 24952.59  8370.84 28186.24  4409.10  198.003   51.559  251.352   21.820 -53.34920 55.98608 
1 1 1  -43   29    7 o  121.489   17.462  6482.53  1673.05  3460.95  4997.42  6863.93  1775.51   92.076   38.899  124.757   18.052 -32.68043 42.88353 
1 1 1  -43   29    8 o  140.939   17.431  8737.05  1952.23  1205.13  5508.53  9818.95  2087.74   83.660   37.848  149.434   17.540 -65.77400 41.71466 
1 1 1  -43   29    9 o  155.509   18.531 10801.77  2293.82  7192.95  5218.92 11665.84  2553.71  107.209   41.713  160.486   20.034 -53.27689 46.27406 
1 1 1  -43   29   10 o   61.052   20.169  1680.21  1162.02  8410.03  3972.73  1050.56  1215.17  117.904   37.158   53.191   20.275 64.71301 42.32894 
1 1 1  -43   29   11 o   65.197   20.665  2003.58  1227.43  1361.48  4763.28  2049.25  1270.33   75.728   34.623   65.834   21.040 9.893852 40.51429 
1 1 1  -43   29   12 o   47.429   18.950  728.294  1102.70 -1676.5980  4581.17  876.198  1136.10   63.858   30.633   49.467   19.402 14.39103 36.26046 
1 1 1  -43   29   13 o   50.664   10.744  1133.68  428.268  3638.18  4106.79  1106.15  430.616   77.421   33.984   49.978   10.917 27.44352 35.69480 
1 1 1  -43   29   14 o   95.971   22.189  4865.70  1694.53  8526.96  4959.19  4381.72  1803.05   91.665   38.739   88.498   24.335 3.166801 45.74771 
1 1 1  -43   29   15 o   86.506   22.161  4177.75  1563.55  6899.73  5468.38  3935.41  1631.67   75.772   35.481   82.334   23.338 -6.561844 42.46853 
1 1 1  -43   29   16 o   54.096   22.194  1643.58  1559.22 -4119.1079  5441.80  2159.00  1627.45   51.138   25.915   58.795   23.170 -7.656937 34.76222 
1 1 1  -43   29   17 o   37.933   17.905 -285.0414  1442.03 -644.3959  5690.47 -260.3810  1490.69   50.659   25.757   38.498   18.181 12.16196 31.52744 
1 1 1  -43   31    1 f  138.182   39.988 10641.71  4742.90   0.0000   0.0000 10641.71  4742.90  ?   ?   138.182   39.988 0.000000 39.98797 
1 1 1  -43   31    2 f  108.026   38.684  6299.49  4303.66   0.0000   0.0000  6299.49  4303.66  ?   ?   108.026   38.684 0.000000 38.68430 
1 1 1  -43   31    3 o  119.989   22.318  6603.66  2094.36   0.0000   0.0000  6603.66  2094.36  ?   ?   119.989   22.318 0.000000 22.31808 
1 1 1  -43   31    4 o  122.553   21.822  6878.61  2091.89   0.0000   0.0000  6878.61  2091.89  ?   ?   122.553   21.822 0.000000 21.82199 
1 1 1  -43   31    5 o   82.680   22.253  3207.00  1526.90   0.0000   0.0000  3207.00  1526.90  ?   ?    82.680   22.253 0.000000 22.25304 
1 1 1  -43   31    6 o   56.058   20.696  1231.39  1244.53  5223.85  5334.72  1001.60  1279.84   97.795   40.674   53.686   20.721 44.10827 45.64751 
1 1 1  -43   31    7 o   80.377   21.958  3074.97  1473.66 -98.7710  5584.39  3312.52  1527.81   77.521   36.154   83.305   22.189 -5.783875 42.42045 
1 1 1  -43   31    8 o   83.358   21.850  3343.79  1496.92  8969.65  5469.50  2888.27  1556.34  111.951   42.932   77.089   23.068 34.86185 48.73717 
1 1 1  -43   31    9 o   48.265   19.849  603.891  1250.93  4387.14  5159.03  367.568  1289.41   87.680   38.298   46.516   19.711 41.16429 43.07292 
1 1 1  -43   31   10 o   92.993   21.729  4268.01  1611.11  7914.36  5381.64  3909.03  1688.56   99.441   41.063   87.713   23.310 11.72732 47.21792 
1 1 1  -43   31   11 o   69.802   22.491  2491.30  1449.30  7624.29  6099.11  2184.12  1492.04   91.260   40.668   65.901   22.846 25.35841 46.64578 
1 1 1  -43   31   12 o   50.800   20.323  1011.42  1269.99 -2816.2361  6500.49  1163.32  1294.94   64.216   31.932   52.586   20.686 11.62955 38.04653 
1 1 1  -43   31   13 o   83.331   23.686  3969.83  1678.38  5115.60  5821.76  3865.97  1752.80   73.371   35.017   81.132   24.527 -7.760406 42.75174 
1 1 1  -43   31   14 f   77.189   24.759  3798.82  1757.94  5577.85  7160.02  3684.70  1813.45   66.885   33.300   75.195   25.207 -8.309486 41.76464 
1 1 1  -43   31   15 o   47.562   20.732  991.310  1504.81  8088.10  6117.39  534.222  1552.51   65.180   32.152   44.644   20.155 20.53603 37.94649 
1 1 1  -43   33    1 o  115.166   26.719  6569.42  2450.21   0.0000   0.0000  6569.42  2450.21  ?   ?   115.166   26.719 0.000000 26.71924 
1 1 1  -43   33    2 o   52.673   22.147  542.433  1607.57   0.0000   0.0000  542.433  1607.57  ?   ?    52.673   22.147 0.000000 22.14677 
1 1 1  -43   33    3 o   70.453   24.791  2290.35  1760.15   0.0000   0.0000  2290.35  1760.15  ?   ?    70.453   24.791 0.000000 24.79140 
1 1 1  -43   33    4 o  112.917   25.579  6333.46  2290.79   0.0000   0.0000  6333.46  2290.79  ?   ?   112.917   25.579 0.000000 25.57852 
1 1 1  -43   33    5 o   84.177   24.675  3544.60  1795.64   0.0000   0.0000  3544.60  1795.64  ?   ?    84.177   24.675 0.000000 24.67539 
1 1 1  -43   33    6 o  183.556   23.013 16233.98  3354.52   0.0000   0.0000 16233.98  3354.52  ?   ?   183.556   23.013 0.000000 23.01315 
1 1 1  -43   33    7 o   41.727   18.728 -248.5442  1318.24  8872.96  7154.99 -569.0493  1341.20   99.481   44.207   39.918   18.295 59.56280 47.84323 
1 1 1  -43   33    8 o   95.999   24.370  4800.77  1902.92  9359.64  7921.50  4521.58  1960.32   95.190   43.931   92.139   25.389 3.051720 50.73992 
1 1 1  -43   33    9 f   53.220   20.546  1182.99  1258.61  4471.09  7046.43  1074.63  1279.19   80.503   38.449   52.165   20.547 28.33850 43.59467 
1 1 1  -43   33   10 o   72.909   24.216  2953.00  1674.41  950.223  7335.14  3063.10  1719.82   70.764   34.962   73.943   24.542 -3.179131 42.71590 
1 1 1  -43   33   11 o   64.422   23.011  2308.26  1521.83  2262.33  7720.46  2310.11  1552.29   68.693   34.261   64.351   23.212 4.341934 41.38366 
1 1 1  -43   33   12 o   58.561   23.835  1940.79  1780.44 11418.21  8001.64  1447.12  1826.22   74.837   36.887   54.718   23.331 20.11840 43.64646 
1 1 1  -43   33   13 o   64.358   24.340  2834.21  1742.81 -1606.0699  7783.22  3068.60  1788.22   56.171   28.697   66.353   24.746 -10.18246 37.89286 
1 1 1  -43   33   14 o   82.380   27.132  5531.09  2103.58  5081.44  8545.78  5560.10  2170.36   55.633   28.543   81.194   27.574 -25.56089 39.68628 
1 1 1  -43   35    1 o   64.577   26.165  1685.51  2134.30   0.0000   0.0000  1685.51  2134.30  ?   ?    64.577   26.165 0.000000 26.16461 
1 1 1  -43   35    2 o  140.019   28.611 10512.64  3142.87   0.0000   0.0000 10512.64  3142.87  ?   ?   140.019   28.611 0.000000 28.61052 
1 1 1  -43   35    3 o  135.828   29.134 10093.87  3116.79   0.0000   0.0000 10093.87  3116.79  ?   ?   135.828   29.134 0.000000 29.13406 
1 1 1  -43   35    4 o   51.205   22.406  356.970  1772.72   0.0000   0.0000  356.970  1772.72  ?   ?    51.205   22.406 0.000000 22.40590 
1 1 1  -43   35    5 o   37.720   17.958 -1363.8390  1511.36   0.0000   0.0000 -1363.8390  1511.36  ?   ?    37.720   17.958 0.000000 17.95756 
1 1 1  -43   35    6 o   63.566   23.537  2019.38  1612.06   0.0000   0.0000  2019.38  1612.06  ?   ?    63.566   23.537 0.000000 23.53697 
1 1 1  -43   35    7 o   60.501   23.483  1792.36  1651.08 -12354.7695 10808.74  2130.35  1670.69   64.878   33.199   63.933   23.904 0.9453926 40.90927 
1 1 1  -43   35    8 f   54.075   22.899  1124.79  1738.46 -4581.6089 10408.31  1288.56  1763.23   66.429   33.873   55.486   23.255 10.94320 41.08733 
1 1 1  -43   35    9 o   92.314   25.906  5223.98  2020.99 -1433.0060 11008.55  5456.17  2055.93   65.439   33.487   94.390   25.998 -28.95125 42.39421 
1 1 1  -43   35   10 o   68.284   25.849  3153.64  1966.78  1044.84 10419.93  3231.55  2002.78   62.679   32.113   68.780   26.073 -6.101284 41.36538 
1 1 1  -43   35   11 o   43.786   20.032  270.869  1598.08 -9448.1318 12180.63  441.092  1612.01   55.417   28.667   44.910   20.381 10.50706 35.17370 
1 1 1  -43   37    1 o   72.533   29.430  3216.36  2704.50   0.0000   0.0000  3216.36  2704.50  ?   ?    72.533   29.430 0.000000 29.43026 
1 1 1  -43   37    2 o   55.606   25.108  614.073  2410.62   0.0000   0.0000  614.073  2410.62  ?   ?    55.606   25.108 0.000000 25.10758 
1 1 1  -43   37    3 o   58.337   25.219  1367.18  2189.65   0.0000   0.0000  1367.18  2189.65  ?   ?    58.337   25.219 0.000000 25.21919 
1 1 1  -43   37    4 o   54.112   24.294  728.853  2220.18   0.0000   0.0000  728.853  2220.18  ?   ?    54.112   24.294 0.000000 24.29396 
1 1 1  -43   37    5 o   46.691   21.728 -286.6788  1999.59   0.0000   0.0000 -286.6788  1999.59  ?   ?    46.691   21.728 0.000000 21.72838 
1 1 1  -43   37    6 o   40.166   18.531 -294.1024  1407.80   0.0000   0.0000 -294.1024  1407.80  ?   ?    40.166   18.531 0.000000 18.53078 
1 1 1  -43   37    7 o   74.481   29.001  4374.21  2524.32   0.0000   0.0000  4374.21  2524.32  ?   ?    74.481   29.001 0.000000 29.00138 
1 1 1  -43   37    8 o   54.959   24.511  1667.96  2220.56 21307.91 15480.28  1255.35  2243.76   65.154   33.638   52.779   23.987 12.37482 41.31500 
1 1 1  -42    0    1 o  506.700   36.895 106468.30 14994.45 106468.30 14994.45   0.0000   0.0000  506.700   36.895  506.700   36.895 0.000000 0.000000 
1 1 1  -42    0    4 o   57.984   9.7744  1476.52  420.912   0.0000   0.0000  1476.52  420.912   57.984   9.7744   57.984   9.7744 -0.000000 0.000000 
1 1 1  -42    0    5 o  347.141   24.949 49843.79  6948.73 49843.79  6948.73   0.0000   0.0000  347.141   24.949  347.141   24.949 0.000000 0.000000 
1 1 1  -42    0    6 o  155.528   13.626 10056.26  1690.37 10056.26  1690.37   0.0000   0.0000  155.528   13.626  155.528   13.626 0.000000 0.000000 
1 1 1  -42    0    7 o  351.320   25.539 51150.51  7196.67   0.0000   0.0000 51150.51  7196.67  351.320   25.539  351.320   25.539 -0.000000 0.000000 
1 1 1  -42    0    8 o  688.967   48.779 199756.50 26973.51   0.0000   0.0000 199756.50 26973.51  688.967   48.779  688.967   48.779 -0.000000 0.000000 
1 1 1  -42    0    9 o   54.219   7.8501  1266.93  324.524  1221.82  380.422  1387.47  621.918   52.181   10.056   51.866   16.722 -0.000000 0.000000 
1 1 1  -42    0   10 o  523.327   24.160 112618.60 10216.18 90646.58 14368.63 135082.00 14528.41  463.987   38.762  571.099   31.551 -0.000000 0.000000 
1 1 1  -42    0   11 o  185.316   16.120 14299.68  2383.41   0.0000   0.0000 14299.68  2383.41  185.316   16.120  185.316   16.120 -0.000000 0.000000 
1 1 1  -42    0   12 o  442.207   22.356 80542.03  7980.23 84555.48 11190.28 76388.64 11383.72  450.301   30.941  426.744   33.320 -0.000000 0.000000 
1 1 1  -42    0   13 o  208.564   11.607 17860.49  1951.63 17039.94  2649.52 18833.80  2885.62  202.500   16.360  212.922   16.937 -0.000000 0.000000 
1 1 1  -42    0   14 o  398.593   20.621 65508.18  6633.09 70545.27  9270.47 60224.38  9494.77  411.159   28.069  378.053   31.431 -0.000000 0.000000 
1 1 1  -42    0   15 o  206.494   11.787 17529.70  1961.57 17192.80  2638.90 17945.71  2932.42  203.326   16.222  207.348   17.715 -0.000000 0.000000 
1 1 1  -42    0   16 o  322.141   16.914 42795.00  4396.43 43966.76  6078.23 41509.32  6366.79  324.310   23.361  314.157   25.339 -0.000000 0.000000 
1 1 1  -42    0   17 o  142.686   10.660  8437.17  1219.16 11486.66  1570.51  3812.73  1934.00  166.561   11.747   82.570   30.918 -0.000000 0.000000 
1 1 1  -42    0   18 o  114.193   10.353  5451.88  941.811  5693.53  1081.74  4694.88  1914.61  116.290   11.730   95.756   28.318 -0.000000 0.000000 
1 1 1  -42    0   19 o  109.307   10.110  5006.00  879.630  3304.08  1927.55  5453.65  988.568   73.906   31.530  113.928   10.917 0.000000 0.000000 
1 1 1  -42    0   20 o  122.366   10.179  6255.11  995.288  8331.95  1922.35  5494.51  1163.35  138.231   17.965  113.386   13.090 0.000000 0.000000 
1 1 1  -42    0   21 o  109.110   11.044  5038.06  955.485  4651.21  1067.34  6598.90  2143.93  103.740   13.264  117.055   25.782 -0.000000 0.000000 
1 1 1  -42    0   22 o   22.198   13.681  166.883  481.683 -17.3944  505.631  1975.17  1583.91   20.043   13.012   54.711   28.063 -0.000000 0.000000 
1 1 1  -42    0   23 o   30.012   15.717  555.337  504.065  565.655  519.153  385.519  2106.15   30.293   15.927   41.477   26.789 -0.000000 0.000000 
1 1 1  -42    0   24 o   50.210   16.962  1373.06  618.608   0.0000   0.0000  1373.06  618.608   50.210   16.962   50.210   16.962 0.000000 0.000000 
1 1 1  -42    0   25 o   24.487   14.534  309.664  502.659   0.0000   0.0000  309.664  502.659   24.487   14.534   24.487   14.534 0.000000 0.000000 
1 1 1  -42    2    1 o  366.175   27.589 55089.89  8142.55   0.0000   0.0000 55089.89  8142.55  ?   ?   366.175   27.589 0.000000 27.58900 
1 1 1  -42    2    5 o  342.441   17.029 47778.32  4734.82 47673.13  6745.99 47880.45  6647.19  340.545   24.562  341.359   24.138 -0.8142395 34.43703 
1 1 1  -42    2    6 o  523.651   36.873 114107.30 15577.70 114107.30 15577.70   0.0000   0.0000  523.651   36.873  ?   ?  0.000000 36.87267 
1 1 1  -42    2    7 o  216.656   16.638 19264.40  2904.60   0.0000   0.0000 19264.40  2904.60  ?   ?   216.656   16.638 0.000000 16.63820 
1 1 1  -42    2    8 o  281.642   11.430 32295.89  2613.90 35291.93  4601.56 30868.58  3176.07  292.993   19.453  274.761   14.286 18.23267 24.13492 
1 1 1  -42    2    9 o  398.386   15.605 64825.31  5047.99 69966.92  8815.07 62316.48  6157.61  410.727   26.575  389.951   19.447 20.77527 32.93050 
1 1 1  -42    2   10 o  310.750   12.433 39373.59  3136.99 44319.27  5510.95 37002.95  3815.45  327.784   20.814  300.465   15.694 27.31885 26.06755 
1 1 1  -42    2   11 o  166.541   8.4230 11314.49  1135.30 11643.65  1377.86 10618.51  2003.54  168.778   10.101  160.367   15.583 8.411133 18.57063 
1 1 1  -42    2   12 o  143.889   6.6609  8419.28  778.219  8115.38  1096.46  8727.77  1104.72  140.815   9.6479  146.089   9.3625 -5.273193 13.44384 
1 1 1  -42    2   13 o  490.662   16.794 98930.65  6690.68 89301.30  9459.84 108569.00  9464.26  462.018   25.313  511.425   22.791 -49.40735 34.06145 
1 1 1  -42    2   14 o  373.310   13.131 57076.05  3980.21 56809.43  5623.59 57343.67  5634.17  370.309   18.764  372.543   18.626 -2.234192 26.43898 
1 1 1  -42    2   15 o  214.676   8.5584 18794.50  1491.81 20242.13  2097.86 17313.61  2121.82  222.062   11.676  205.088   12.806 16.97382 17.32965 
1 1 1  -42    2   16 f  242.059   9.5702 23963.22  1880.96 25133.33  2650.53 22776.10  2669.74  246.721   13.280  234.587   14.081 12.13403 19.35543 
1 1 1  -42    2   17 o   77.915   6.5839  2494.51  412.629  2535.30  554.227  2443.79  618.070   78.174   8.8896   76.470   10.209 1.704170 13.53709 
1 1 1  -42    2   18 o  150.842   7.3883  9322.36  904.908 10221.11  1249.70  8331.71  1312.04  157.099   9.8468  141.241   11.541 15.85747 15.17117 
1 1 1  -42    2   19 o   32.723   9.8565  448.646  283.452  273.854  380.294  667.127  425.174   29.940   11.359   39.730   12.095 -9.789505 16.59263 
1 1 1  -42    2   20 o  213.548   8.8459 18931.22  1533.83 19463.32  2177.75 18407.43  2160.67  213.799   12.600  207.689   12.876 6.110031 18.01567 
1 1 1  -42    2   21 o  109.508   7.7122  4998.01  681.367  4974.66  921.933  5026.12  1011.48  108.006   10.651  108.033   11.719 -0.2776337E-01 15.83605 
1 1 1  -42    2   22 o  183.165   8.7113 14113.93  1295.58 13444.10  1817.28 14806.26  1847.55  174.805   12.894  183.966   12.442 -9.160233 17.91831 
1 1 1  -42    2   23 o   69.587   8.7406  2087.97  482.968  1921.89  675.848  2261.29  690.426   64.341   13.373   70.442   12.530 -6.100670 18.32613 
1 1 1  -42    2   24 o   68.418   9.0471  2063.32  490.269  1916.99  648.441  2258.60  749.088   63.361   13.039   68.162   14.003 -4.801247 19.13386 
1 1 1  -42    2   25 o   18.764   8.6446 -171.0681  304.795  376.032  354.172 -1733.1110  598.450   29.863   11.037   17.472   8.8237 12.39071 14.13081 
1 1 1  -42    4    1 o  894.130   35.910 328487.41 26070.53 345896.50 31865.72 293245.69 45338.20  915.196   42.882  829.771   67.887 85.42426 80.29623 
1 1 1  -42    4    2 o  211.784   13.647 18317.43  2334.21 22326.97  3082.59 12928.35  3573.76  233.641   16.352  176.066   25.760 57.57445 30.51208 
1 1 1  -42    4    3 o  720.610   50.401 217340.41 29304.21 217340.41 29304.21   0.0000   0.0000  720.610   50.401  ?   ?  0.000000 50.40051 
1 1 1  -42    4    6 o  609.756   29.491 153084.20 14600.90   0.0000   0.0000 153084.20 14600.90  ?   ?   609.756   29.491 0.000000 29.49070 
1 1 1  -42    4    7 o  280.178   14.248 32078.04  3230.69   0.0000   0.0000 32078.04  3230.69  ?   ?   280.178   14.248 0.000000 14.24808 
1 1 1  -42    4    8 o  126.725   8.1582  6556.66  834.989   0.0000   0.0000  6556.66  834.989  ?   ?   126.725   8.1582 0.000000 8.158208 
1 1 1  -42    4    9 o  533.896   25.961 117714.60 11254.12   0.0000   0.0000 117714.60 11254.12  ?   ?   533.896   25.961 0.000000 25.96072 
1 1 1  -42    4   10 o  589.371   22.820 143129.09 10920.54 165209.30 18994.55 132227.00 13346.99  624.348   37.644  563.100   29.293 61.24884 47.69869 
1 1 1  -42    4   11 o  380.265   15.231 59151.49  4702.69 65973.41  8226.98 55840.63  5731.36  398.105   25.586  368.161   19.239 29.94376 32.01286 
1 1 1  -42    4   12 o   30.551   10.072  362.229  289.871 -321.8380  662.638  524.112  322.350   29.498   13.256   35.578   10.462 -6.080429 16.88701 
1 1 1  -42    4   13 o  508.580   20.114 106893.10  8306.13 120947.30 14477.27 99996.77 10141.29  531.673   33.710  488.601   25.652 43.07193 42.36010 
1 1 1  -42    4   14 o  110.885   6.3291  5018.43  567.476  5444.20  782.867  4547.01  823.759  115.283   8.4217  105.122   9.7624 10.16044 12.89299 
1 1 1  -42    4   15 o  348.353   12.849 49784.44  3634.43 49837.38  5128.51 49731.03  5151.28  346.235   18.307  345.818   18.412 0.4171448 25.96457 
1 1 1  -42    4   16 o   97.810   6.2008  3912.09  489.912  3791.10  674.677  4047.05  712.554   95.932   8.7581   99.112   8.9509 -3.179810 12.52288 
1 1 1  -42    4   17 o   85.226   6.3793  2979.98  438.246  3219.98  589.861  2684.27  654.753   88.299   8.3255   80.159   10.298 8.140594 13.24242 
1 1 1  -42    4   18 f  141.684   7.2663  8246.30  833.123  9101.09  1172.87  7375.75  1183.63  148.171   9.8041  132.936   11.066 15.23531 14.78452 
1 1 1  -42    4   19 o  149.646   7.4513  9207.99  905.394  9406.05  1261.16  8997.34  1300.59  150.011   10.419  146.453   11.018 3.558655 15.16383 
1 1 1  -42    4   20 o   89.461   7.2451  3320.14  521.757  3336.29  698.696  3299.77  784.486   88.891   9.8458   87.892   11.251 0.9986343 14.95054 
1 1 1  -42    4   21 o  147.880   8.0411  9119.78  961.890  9346.84  1338.42  8877.23  1383.32  147.885   11.230  143.618   11.972 4.266937 16.41453 
1 1 1  -42    4   22 o  204.598   9.2176 17702.78  1531.29 16785.28  2160.39 18629.13  2170.80  194.120   13.796  205.450   13.081 -11.33046 19.01183 
1 1 1  -42    4   23 o   88.245   7.9827  3316.02  565.787  4302.96  743.301  1956.48  872.404   99.830   9.2760   62.699   16.798 37.13083 19.18875 
1 1 1  -42    4   24 o   59.801   9.7388  1605.67  456.604  1491.97  560.594  1829.78  787.028   55.845   12.656   59.471   15.964 -3.625736 20.37184 
1 1 1  -42    4   25 o   29.091   10.791  353.352  339.134  703.348  403.022 -495.6255  627.690   37.829   11.821   24.411   11.607 13.41792 16.56718 
1 1 1  -42    6    1 o  184.562   17.818 14005.61  2636.97   0.0000   0.0000 14005.61  2636.97  ?   ?   184.562   17.818 0.000000 17.81787 
1 1 1  -42    6    2 o  456.345   25.407 85428.17  9376.77 103124.50 13010.51 66301.74 13526.00  500.037   32.216  397.907   42.523 102.1300 53.34883 
1 1 1  -42    6    3 o  219.967   17.231 19835.16  3053.01 19835.16  3053.01   0.0000   0.0000  219.967   17.231  ?   ?  0.000000 17.23137 
1 1 1  -42    6    4 o  713.624   50.400 214885.59 29016.07 214885.59 29016.07   0.0000   0.0000  713.624   50.400  ?   ?  0.000000 50.40024 
1 1 1  -42    6    5 o  650.466   46.031 178299.70 24154.63 178299.70 24154.63   0.0000   0.0000  650.466   46.031  ?   ?  0.000000 46.03113 
1 1 1  -42    6    6 o  247.281   18.962 25133.14  3778.18 25133.14  3778.18   0.0000   0.0000  247.281   18.962  ?   ?  0.000000 18.96161 
1 1 1  -42    6    7 o  605.386   30.968 152219.00 15171.27 132692.00 21540.42 171440.70 21371.41  556.261   48.166  636.946   41.551 -80.68549 63.61180 
1 1 1  -42    6    8 o  308.312   22.220 39243.05  5525.17   0.0000   0.0000 39243.05  5525.17  ?   ?   308.312   22.220 0.000000 22.21969 
1 1 1  -42    6    9 o  332.229   23.910 45716.34  6406.71   0.0000   0.0000 45716.34  6406.71  ?   ?   332.229   23.910 0.000000 23.90961 
1 1 1  -42    6   10 o  369.535   26.583 56885.22  7922.83   0.0000   0.0000 56885.22  7922.83  ?   ?   369.535   26.583 0.000000 26.58257 
1 1 1  -42    6   11 o  610.952   44.688 162563.70 22014.90   0.0000   0.0000 162563.70 22014.90  ?   ?   610.952   44.688 0.000000 44.68847 
1 1 1  -42    6   12 o  167.347   14.554 11549.37  1957.89   0.0000   0.0000 11549.37  1957.89  ?   ?   167.347   14.554 0.000000 14.55386 
1 1 1  -42    6   13 o  110.983   8.8610  5050.46  791.845   0.0000   0.0000  5050.46  791.845  ?   ?   110.983   8.8610 0.000000 8.860970 
1 1 1  -42    6   14 o   81.248   9.6903  2731.46  626.667   0.0000   0.0000  2731.46  626.667  ?   ?    81.248   9.6903 0.000000 9.690290 
1 1 1  -42    6   15 f  146.877   9.9534  8856.72  1180.03   0.0000   0.0000  8856.72  1180.03  ?   ?   146.877   9.9534 0.000000 9.953435 
1 1 1  -42    6   16 o   35.012   12.376  441.103  439.123   0.0000   0.0000  441.103  439.123  ?   ?    35.012   12.376 0.000000 12.37606 
1 1 1  -42    6   17 o   72.716   7.4802  2185.14  435.354  2013.26  557.673  2453.33  696.618   69.221   10.230   76.225   11.623 -7.003746 15.48415 
1 1 1  -42    6   18 o  118.084   7.3299  5739.12  699.325  4695.23  1019.00  6668.50  961.492  105.469   12.119  126.786   9.4068 -21.31734 15.34161 
1 1 1  -42    6   19 o   67.892   7.3901  1917.48  400.807  2430.34  500.826  1003.86  668.446   76.333   8.2095   48.411   15.240 27.92149 17.31021 
1 1 1  -42    6   20 o   76.889   7.7126  2467.27  475.022  2905.88  630.398  1891.05  722.557   82.948   9.5332   65.177   14.066 17.77010 16.99205 
1 1 1  -42    6   21 o  162.494   9.1829 11107.72  1206.63 12389.78  1814.63 10091.55  1615.53  168.428   13.379  152.053   13.217 16.37561 18.80647 
1 1 1  -42    6   22 o   40.067   13.823  681.141  545.870  445.945  665.094  1166.56  955.490   37.463   14.797   50.804   18.224 -13.34130 23.47442 
1 1 1  -42    6   23 o   65.655   8.3040  1857.07  432.785  1851.00  547.834  1867.15  705.879   64.283   10.884   62.638   14.206 1.644989 17.89602 
1 1 1  -42    6   24 o   22.661   9.5110   76.358  295.621   76.661  346.265   75.544  567.739   24.120   10.217   29.278   12.749 -5.157833 16.33779 
1 1 1  -42    6   25 o   37.147   10.842  670.779  347.358  729.696  414.767  532.404  635.640   38.242   11.999   35.170   14.269 3.072243 18.64320 
1 1 1  -42    8    1 o  155.533   16.944  9975.29  2105.17   0.0000   0.0000  9975.29  2105.17  ?   ?   155.533   16.944 0.000000 16.94381 
1 1 1  -42    8    3 o  391.596   28.178 63316.71  8899.53 63316.71  8899.53   0.0000   0.0000  391.596   28.178  ?   ?  0.000000 28.17752 
1 1 1  -42    8    4 o  356.161   18.615 51934.69  5364.59 43050.54  7657.76 60496.46  7517.54  321.998   29.622  383.403   24.273 -61.40463 38.29659 
1 1 1  -42    8    5 o  334.133   17.221 45696.18  4656.38 41310.38  6640.67 49938.25  6530.94  315.943   26.120  348.218   23.232 -32.27509 34.95699 
1 1 1  -42    8    6 o  277.397   14.849 31473.35  3332.35 24827.13  4755.54 37885.14  4670.92  244.627   24.262  303.741   19.035 -59.11411 30.83799 
1 1 1  -42    8    7 o  530.447   26.161 116045.50 11267.68 111665.80 15969.93 120386.90 15900.11  514.390   38.516  535.056   36.823 -20.66571 53.28560 
1 1 1  -42    8    8 o  143.619   8.6586  8420.30  1004.99   0.0000   0.0000  8420.30  1004.99  ?   ?   143.619   8.6586 0.000000 8.658618 
1 1 1  -42    8    9 o  353.281   14.551 50972.98  4173.90 53412.23  7326.79 49801.05  5078.54  358.634   25.324  348.190   18.025 10.44394 31.08344 
1 1 1  -42    8   10 o  328.905   13.149 44160.66  3511.64 58375.93  6184.39 37396.36  4266.10  376.200   20.321  301.540   17.499 74.65988 26.81755 
1 1 1  -42    8   11 o  151.119   8.0925  9319.93  989.372  7994.48  1862.56  9840.92  1167.74  138.614   16.899  155.170   9.3114 -16.55579 19.29412 
1 1 1  -42    8   12 o  197.856   11.879 16044.12  1899.63 13440.61  2810.78 18233.12  2577.33  179.488   19.605  210.369   15.191 -30.88072 24.80174 
1 1 1  -42    8   13 o  263.370   14.180 28519.34  3021.16 30872.92  4382.90 26388.68  4170.17  272.415   19.954  251.545   20.598 20.86981 28.67799 
1 1 1  -42    8   14 o   87.666   11.091  3191.47  771.782  510.590  1325.71  4565.88  949.219   51.206   20.665  105.063   11.305 -53.85777 23.55513 
1 1 1  -42    8   15 o  246.710   13.969 25146.59  2786.79 25614.01  4080.11 24737.85  3815.41  246.543   20.570  242.701   19.526 3.841934 28.36171 
1 1 1  -42    8   16 o  200.742   12.533 16690.28  2032.69 17071.62  3043.49 16383.19  2731.13  200.553   18.913  197.162   17.233 3.391022 25.58699 
1 1 1  -42    8   17 o  158.650   12.102 10499.90  1547.24  8287.23  2259.85 12452.39  2122.83  137.161   20.956  171.482   15.411 -34.32103 26.01273 
1 1 1  -42    8   18 o  100.906   12.755  4329.66  1021.67  3554.84  1504.60  4992.57  1391.71   88.031   21.284  106.924   16.566 -18.89333 26.97105 
1 1 1  -42    8   19 o  109.086   13.599  5127.34  1178.38  3805.09  1831.00  6062.19  1539.58   88.496   24.596  117.160   16.653 -28.66486 29.70292 
1 1 1  -42    8   20 o   27.357   13.111 -1063.0980  834.862 -3335.2029  1352.73  334.797  1061.04   28.408   14.195   43.108   18.052 -14.70043 22.96470 
1 1 1  -42    8   21 o   52.458   18.450  1220.66  974.774  846.458  1411.09  1562.21  1348.14   51.451   21.111   58.590   21.555 -7.138672 30.17119 
1 1 1  -42    8   22 o   31.647   15.189 -1233.1600  1129.37 -2078.6001  1633.15 -458.3317  1563.46   35.816   17.444   42.284   19.515 -6.468445 26.17549 
1 1 1  -42    8   23 o   85.631   10.009  3228.95  682.820  3228.95  682.820   0.0000   0.0000   85.631   10.009  ?   ?  0.000000 10.00942 
1 1 1  -42    8   24 o   48.424   11.670  1120.76  453.472  1120.76  453.472   0.0000   0.0000   48.424   11.670  ?   ?  0.000000 11.67044 
1 1 1  -42   10    1 o  495.261   36.502 102367.60 14575.16   0.0000   0.0000 102367.60 14575.16  ?   ?   495.261   36.502 0.000000 36.50166 
1 1 1  -42   10    2 o  291.158   24.011 34994.69  5625.94   0.0000   0.0000 34994.69  5625.94  ?   ?   291.158   24.011 0.000000 24.01150 
1 1 1  -42   10    3 o  428.069   23.505 75374.60  8138.68 58800.34 11686.25 90984.50 11341.18  373.448   39.120  468.608   29.963 -95.16068 49.27665 
1 1 1  -42   10    4 o  222.399   13.505 20226.59  2427.16 11317.28  3524.93 28259.24  3347.02  163.605   27.511  262.718   15.763 -99.11339 31.70714 
1 1 1  -42   10    5 o  524.900   26.925 113876.30 11436.70 94676.88 16246.70 132735.70 16102.15  472.005   42.859  563.267   35.387 -91.26199 55.57985 
1 1 1  -42   10    6 o  281.896   15.092 32521.84  3441.85 29352.68  4929.70 35535.98  4807.62  266.310   23.024  293.789   20.278 -27.47928 30.68088 
1 1 1  -42   10    7 o  421.236   20.922 72824.70  7155.94 74929.03 10173.90 70764.34 10067.00  423.978   29.742  411.757   30.324 12.22046 42.47481 
1 1 1  -42   10    8 o  338.241   24.722 47464.49  6742.62   0.0000   0.0000 47464.49  6742.62  ?   ?   338.241   24.722 0.000000 24.72197 
1 1 1  -42   10    9 o  246.916   12.421 24930.38  2482.34 15235.40  4433.52 29357.58  2995.98  189.042   29.876  267.776   13.827 -78.73497 32.92078 
1 1 1  -42   10   10 o  291.513   12.078 34674.23  2858.74 40976.75  5089.20 31768.77  3455.41  314.918   20.007  278.189   15.357 36.72897 25.22106 
1 1 1  -42   10   11 o  162.354   7.8248 10727.12  1031.51 18119.12  1963.46  7909.24  1212.28  210.394   11.537  138.838   10.840 71.55603 15.83064 
1 1 1  -42   10   12 o  324.516   13.286 43099.13  3500.80 49639.07  6210.32 40053.01  4238.38  345.108   22.282  311.655   16.811 33.45334 27.91206 
1 1 1  -42   10   13 o  256.451   11.361 26884.31  2365.75 28323.90  4273.63 26248.25  2840.70  260.525   20.365  252.600   13.904 7.924805 24.65833 
1 1 1  -42   10   14 f  302.049   12.801 37434.63  3139.53 41782.91  5611.46 35453.31  3787.86  315.150   22.068  292.666   16.000 22.48398 27.25850 
1 1 1  -42   10   15 o  224.396   10.253 20627.68  1868.14 27082.79  3466.50 17985.62  2217.75  254.668   16.859  208.533   13.165 46.13499 21.39083 
1 1 1  -42   10   16 o  114.725   8.8842  5426.82  821.139  5465.65  1743.42  5415.75  930.853  111.876   19.923  114.345   10.131 -2.469276 22.35040 
1 1 1  -42   10   17 o  199.552   10.810 16534.60  1745.01  8696.42  3250.23 19708.96  2068.40  134.016   30.548  217.483   11.757 -83.46716 32.73250 
1 1 1  -42   10   18 o  119.374   9.3864  5932.12  902.460  3209.81  1930.09  6693.81  1020.94   82.217   25.898  126.640   10.010 -44.42357 27.76553 
1 1 1  -42   10   19 o   44.803   13.526  868.630  533.357 -327.6830  1254.01  1132.83  589.317   40.795   18.291   50.630   13.908 -9.835304 22.97794 
1 1 1  -42   10   20 o  169.048   10.211 12069.06  1395.06 11291.81  2730.69 12343.57  1622.82  152.618   22.729  169.847   11.841 -17.22850 25.62883 
1 1 1  -42   10   21 o   58.897   14.666  1600.55  698.659  1920.91  1544.97  1518.19  783.330   62.734   23.076   56.908   16.184 5.825954 28.18516 
1 1 1  -42   10   22 o   29.179   12.537   56.126  534.674 -751.7639  1512.32  171.533  571.588   39.666   18.601   31.560   13.234 8.106100 22.82884 
1 1 1  -42   10   23 o   26.125   11.969 -251.6116  573.191  -6.2505  1658.83 -284.8792  610.815   43.465   20.075   26.705   12.279 16.76055 23.53220 
1 1 1  -42   10   24 o   29.242   13.556 -264.2157  766.840   0.0000   0.0000 -264.2157  766.840  ?   ?    29.242   13.556 0.000000 13.55594 
1 1 1  -42   12    2 o  260.516   19.634 27922.73  4122.59   0.0000   0.0000 27922.73  4122.59  ?   ?   260.516   19.634 0.000000 19.63364 
1 1 1  -42   12    3 o  249.960   15.056 25578.15  3041.41 19864.74  4526.97 30278.77  4106.17  218.161   26.073  271.460   18.744 -53.29945 32.11096 
1 1 1  -42   12    4 o  459.340   24.481 87030.77  9097.87 73688.85 13045.33 99664.74 12694.52  417.469   38.934  488.926   32.156 -71.45715 50.49655 
1 1 1  -42   12    5 o  319.772   17.074 41914.30  4417.21 38987.72  6366.78 44630.34  6133.50  306.464   25.827  328.719   23.127 -22.25513 34.66813 
1 1 1  -42   12    6 o  174.108   11.134 12395.27  1565.75 10682.86  2299.77 13874.83  2137.70  160.589   17.944  183.826   14.438 -23.23700 23.03142 
1 1 1  -42   12    7 o  370.887   19.362 56569.07  5810.74 51212.98  8299.80 61718.16  8137.84  349.866   29.491  385.460   26.156 -35.59323 39.41922 
1 1 1  -42   12    8 o  338.688   24.979 47690.18  6820.89   0.0000   0.0000 47690.18  6820.89  ?   ?   338.688   24.979 0.000000 24.97927 
1 1 1  -42   12    9 o  481.473   20.872 95497.98  8159.60 78559.52 14312.83 103653.60  9931.57  425.735   41.950  500.263   24.450 -74.52750 48.55488 
1 1 1  -42   12   10 o  272.884   10.997 30371.39  2436.60 37537.92  4427.94 27258.82  2918.15  301.656   18.163  257.786   13.994 43.87030 22.92849 
1 1 1  -42   12   11 o  363.161   14.533 54036.30  4285.40 60607.01  7621.48 50998.50  5182.19  380.563   24.800  351.440   18.223 29.12350 30.77534 
1 1 1  -42   12   12 o  308.435   13.153 38958.13  3293.94 39134.28  5923.10 38879.25  3963.33  305.180   24.099  307.103   15.949 -1.923187 28.89890 
1 1 1  -42   12   13 o  539.565   21.867 121572.40  9580.20 126310.30 16793.78 119286.70 11664.33  532.937   39.082  529.854   27.204 3.083130 47.61754 
1 1 1  -42   12   14 o  293.966   12.640 35510.04  3017.00 38677.97  5474.58 34128.30  3615.58  302.168   22.474  286.899   15.579 15.26837 27.34580 
1 1 1  -42   12   15 o   69.462   10.552  2025.09  576.404  647.521  1265.96  2385.36  647.403   51.263   20.361   75.437   10.884 -24.17394 23.08761 
1 1 1  -42   12   16 o  110.859   9.1139  5083.14  813.105  3628.58  1677.92  5529.53  929.538   89.466   22.978  115.440   10.016 -25.97450 25.06590 
1 1 1  -42   12   17 o   88.767   9.6939  3293.76  687.337  3583.75  1489.92  3215.36  774.699   88.625   21.022   87.279   11.189 1.346436 23.81466 
1 1 1  -42   12   18 o  112.896   9.9057  5336.62  898.862  3867.51  1988.49  5713.90  1007.69   88.951   25.936  116.531   10.772 -27.58032 28.08380 
1 1 1  -42   12   19 f   58.085   13.515  1499.57  625.450  2354.88  1706.35  1366.82  672.236   70.455   24.431   55.215   14.724 15.23910 28.52542 
1 1 1  -42   12   20 o   45.346   14.567  899.986  608.346  4044.83  1816.06  502.491  645.649   88.234   24.485   38.547   14.758 49.68633 28.58916 
1 1 1  -42   12   21 o   43.900   15.041  840.700  645.813  1062.18  1634.99  799.758  702.977   54.121   22.514   43.596   15.632 10.52484 27.40872 
1 1 1  -42   12   22 o   51.394   16.624  1291.90  791.276  2575.24  2265.67  1113.62  844.450   64.815   26.691   48.484   17.160 16.33043 31.73100 
1 1 1  -42   12   23 o   58.312   18.160  1875.50  952.055  519.085  2564.38  2092.35  1025.34   49.845   23.631   60.991   18.822 -11.14543 30.21103 
1 1 1  -42   12   24 o   78.045   18.451  3612.52  1150.84   0.0000   0.0000  3612.52  1150.84  ?   ?    78.045   18.451 0.000000 18.45145 
1 1 1  -42   14    1 o  593.695   44.038 149919.70 21077.55   0.0000   0.0000 149919.70 21077.55  ?   ?   593.695   44.038 0.000000 44.03769 
1 1 1  -42   14    2 o  466.861   19.672 89263.27  7457.34 85944.98 13266.11 90796.25  9016.84  452.020   36.455  469.349   23.737 -17.32907 43.50208 
1 1 1  -42   14    3 o  417.344   19.087 71318.16  6468.15 60524.86 11368.10 76484.94  7865.39  378.238   37.510  430.905   22.559 -52.66693 43.77111 
1 1 1  -42   14    4 o  225.154   13.173 20738.96  2397.74 21509.13  3627.38 20141.31  3195.38  228.245   19.768  221.146   17.950 7.099091 26.70173 
1 1 1  -42   14    5 o  405.375   21.833 67737.72  7159.80 59140.09 10330.98 75683.74  9931.78  374.482   34.359  426.212   28.869 -51.72937 44.87731 
1 1 1  -42   14    6 o  282.413   15.445 32693.63  3528.18 32781.41  5156.35 32616.34  4838.04  281.222   22.777  280.852   21.376 0.3705444 31.23679 
1 1 1  -42   14    7 o  188.856   12.093 14604.08  1844.71 12630.66  2763.47 16190.26  2477.53  174.237   19.890  198.373   15.505 -24.13609 25.21908 
1 1 1  -42   14    8 o  230.928   13.609 21860.75  2540.41 20024.26  3730.80 23448.40  3468.85  219.443   21.202  238.349   18.058 -18.90569 27.85023 
1 1 1  -42   14    9 o  412.947   20.603 70345.72  6908.25 77728.24  9906.44 63357.10  9638.54  430.106   28.528  386.976   30.934 43.13083 42.08051 
1 1 1  -42   14   10 o  183.106   9.1048 13660.12  1353.67 15550.80  2680.45 13012.83  1568.37  193.753   17.217  178.253   10.888 15.50070 20.37148 
1 1 1  -42   14   11 f  320.298   17.632 42404.66  4567.95 38370.17  6746.36 45820.23  6207.35  300.593   27.962  330.856   23.254 -30.26358 36.36749 
1 1 1  -42   14   12 o  434.011   17.128 77756.92  6035.94 85516.23 10728.56 74163.51  7301.01  446.953   29.732  421.416   21.407 25.53629 36.63705 
1 1 1  -42   14   13 o  106.889   8.3072  4688.89  715.320  2685.44  1747.06  5092.40  784.053   79.491   24.575  111.358   8.7416 -31.86710 26.08339 
1 1 1  -42   14   14 o   26.847   11.404   10.188  433.267 -1213.5861  1311.68  160.062  459.031   37.299   17.438   30.009   12.143 7.290649 21.24896 
1 1 1  -42   14   15 o  126.643   8.7922  6608.45  898.499  8445.40  2057.17  6175.42  998.803  140.038   18.548  122.097   10.167 17.94048 21.15221 
1 1 1  -42   14   16 o  127.020   9.3944  6686.16  962.025  5493.40  2178.11  6975.24  1072.28  108.589   25.191  129.495   10.283 -20.90633 27.20881 
1 1 1  -42   14   17 o  173.225   10.016 12491.27  1402.73 12366.55  2924.95 12528.53  1598.56  164.572   22.477  172.830   11.456 -8.258072 25.22780 
1 1 1  -42   14   18 o  153.993   9.8603  9923.25  1226.44 11248.57  2728.53  9587.69  1372.95  155.203   22.291  150.655   11.306 4.548538 24.99467 
1 1 1  -42   14   19 o  148.620   10.681  9362.14  1280.28  9809.49  2821.26  9246.13  1436.73  139.162   25.922  146.784   12.164 -7.621475 28.63404 
1 1 1  -42   14   20 o   30.948   13.478 -19.5701  634.668 -4097.1670  1990.66  441.808  669.612   35.153   17.511   37.778   14.870 -2.625366 22.97314 
1 1 1  -42   14   21 o   90.699   12.004  3657.07  862.308  4230.16  2582.40  3585.15  914.816   79.545   29.723   89.135   13.024 -9.590446 32.45160 
1 1 1  -42   14   22 o   49.229   17.321  1202.08  859.146  3671.91  2621.63  904.917  909.364   69.132   28.613   45.119   17.452 24.01302 33.51486 
1 1 1  -42   14   23 o   42.721   17.195  862.417  915.157 -3116.6331  2853.99  1318.44  966.176   40.232   20.178   48.697   18.184 -8.465153 27.16278 
1 1 1  -42   14   24 o   44.468   17.376  1214.99  908.619   0.0000   0.0000  1214.99  908.619  ?   ?    44.468   17.376 0.000000 17.37602 
1 1 1  -42   16    1 o  333.017   17.314 45482.46  4665.56   0.0000   0.0000 45482.46  4665.56  ?   ?   333.017   17.314 0.000000 17.31407 
1 1 1  -42   16    2 o   94.559   10.818  3688.18  815.625   0.0000   0.0000  3688.18  815.625  ?   ?    94.559   10.818 0.000000 10.81769 
1 1 1  -42   16    3 o  312.442   13.694 39831.39  3474.05 38416.85  6270.66 40457.83  4173.00  303.921   25.650  314.127   16.418 -10.20569 30.45454 
1 1 1  -42   16    4 o  348.706   15.080 49682.42  4269.83 49794.38  7554.79 49629.87  5175.76  345.646   27.137  347.507   18.409 -1.860352 32.79149 
1 1 1  -42   16    5 o  479.573   23.829 94963.98  9278.83 100120.10 13415.29 90235.02 12847.60  487.082   34.136  462.120   34.488 24.96179 48.52519 
1 1 1  -42   16    6 o  215.663   14.547 19096.20  2532.52 11339.25  3819.90 25179.66  3382.84  162.378   30.080  247.330   16.947 -84.95262 34.52575 
1 1 1  -42   16    7 o  798.530   61.757 294699.41 39730.41   0.0000   0.0000 294699.41 39730.41  ?   ?   798.530   61.757 0.000000 61.75656 
1 1 1  -42   16    8 o  304.476   16.960 38171.69  4176.35 35933.54  6127.53 40113.39  5707.32  292.602   26.064  310.426   22.803 -17.82440 34.63088 
1 1 1  -42   16    9 o   66.800   12.689  1883.86  663.088  1612.22  1160.10  2015.67  808.105   63.047   20.102   68.830   14.892 -5.782394 25.01718 
1 1 1  -42   16   10 o   40.723   9.3124  703.110  301.226 -1171.9950  1033.87  877.052  314.888   32.071   15.145   45.625   8.8189 -13.55460 17.52537 
1 1 1  -42   16   11 o  176.331   8.4658 12674.50  1212.09 14001.84  2503.63 12268.14  1385.26  183.463   17.000  173.074   9.8984 10.38896 19.67167 
1 1 1  -42   16   12 f  110.043   7.7519  4961.05  688.212  6206.60  1740.32  4730.17  749.289  120.980   18.287  107.314   8.6733 13.66607 20.23966 
1 1 1  -42   16   13 o  184.997   10.527 14079.38  1574.78  9824.56  3186.16 15454.78  1811.51  148.604   27.416  193.590   11.578 -44.98637 29.76012 
1 1 1  -42   16   14 o  219.839   10.549 19892.75  1882.96 21209.33  3726.01 19441.20  2182.10  221.765   20.940  216.405   12.471 5.360535 24.37278 
1 1 1  -42   16   15 o  116.206   9.1953  5591.45  860.538  3737.45  2070.88  5978.40  946.089   89.651   26.560  120.030   9.7928 -30.37904 28.30797 
1 1 1  -42   16   16 o  172.119   9.8687 12305.54  1373.44 14864.65  2962.18 11604.72  1550.14  182.937   20.284  166.439   11.542 16.49817 23.33742 
1 1 1  -42   16   17 o  119.124   9.6417  5932.98  924.587  6568.16  2301.70  5810.77  1009.62  116.646   25.050  117.493   10.700 -0.8473587 27.23956 
1 1 1  -42   16   18 o   31.522   12.958  174.257  532.854  554.537  1790.35  137.298  558.147   54.104   23.086   31.562   13.144 22.54202 26.56529 
1 1 1  -42   16   19 o   41.329   14.254  706.513  580.439  3068.94  1586.68  341.517  623.668   77.546   23.311   35.667   14.251 41.87891 27.32252 
1 1 1  -42   16   20 o  131.619   10.958  7496.77  1160.42  8905.56  3030.23  7254.67  1256.18  120.084   30.899  128.543   12.181 -8.458839 33.21312 
1 1 1  -42   16   21 o   87.794   18.294  3888.55  1261.76  3283.92  2872.29  4033.12  1404.53   68.910   29.318   87.558   20.171 -18.64713 35.58699 
1 1 1  -42   16   22 o   67.898   19.687  2629.01  1148.55  1234.29  2532.40  2990.20  1288.71   52.945   24.576   71.088   20.923 -18.14212 32.27637 
1 1 1  -42   16   23 o   31.892   14.965 -313.2055  981.514   0.0000   0.0000 -313.2055  981.514  ?   ?    31.892   14.965 0.000000 14.96520 
1 1 1  -42   18    1 o   88.580   12.089  3257.66  846.809   0.0000   0.0000  3257.66  846.809  ?   ?    88.580   12.089 0.000000 12.08941 
1 1 1  -42   18    2 o  397.214   22.176 65195.59  7123.82   0.0000   0.0000 65195.59  7123.82  ?   ?   397.214   22.176 0.000000 22.17621 
1 1 1  -42   18    3 o  655.529   26.992 178431.41 14367.05 167748.41 25280.02 183527.91 17460.95  616.677   50.943  661.516   32.508 -44.83917 60.43166 
1 1 1  -42   18    4 o  243.264   12.912 24223.63  2541.27 27850.96  4621.59 22651.57  3042.52  258.925   22.197  234.679   16.063 24.24605 27.39984 
1 1 1  -42   18    5 o  401.801   23.385 67008.77  7596.30 53444.30 11175.10 78660.02 10357.05  351.317   39.882  432.644   29.662 -81.32669 49.70323 
1 1 1  -42   18    6 o   58.184   14.364  1439.75  674.520   0.0000   0.0000  1439.75  674.520  ?   ?    58.184   14.364 0.000000 14.36391 
1 1 1  -42   18    7 o  198.347   12.793 16144.52  2049.26 18136.07  3262.82 14847.15  2633.47  208.880   19.462  189.312   17.324 19.56798 26.05565 
1 1 1  -42   18    8 o  116.701   11.913  5621.30  1113.05  4591.73  1964.90  6107.77  1350.65  103.038   23.942  121.344   13.963 -18.30611 27.71622 
1 1 1  -42   18    9 o  376.522   19.879 58862.37  6055.83 61987.07  8901.16 56169.71  8262.90  381.772   28.930  363.736   28.198 18.03528 40.39854 
1 1 1  -42   18   10 o  127.349   21.286  6927.18  2123.34  6927.18  2123.34   0.0000   0.0000  127.349   21.286  ?   ?  0.000000 21.28591 
1 1 1  -42   18   11 o  286.062   11.729 33552.68  2724.25 36486.72  5281.78 32489.22  3179.86  293.794   22.308  280.922   13.941 12.87177 26.30541 
1 1 1  -42   18   12 o  142.734   8.6821  8359.71  1001.44  8404.93  2329.93  8349.46  1109.12  139.586   21.226  142.470   9.6445 -2.883591 23.31422 
1 1 1  -42   18   13 o  168.714   10.187 11745.48  1388.93  5152.87  2978.24 13577.83  1570.13  104.944   32.026  181.290   10.714 -76.34573 33.77039 
1 1 1  -42   18   14 o  200.300   11.114 16656.68  1800.45 11555.62  3690.41 18250.11  2062.58  155.992   30.228  209.225   12.194 -53.23238 32.59472 
1 1 1  -42   18   15 o  167.888   10.159 11715.81  1378.35  7450.47  2921.78 12936.78  1563.23  123.232   29.576  176.108   10.987 -52.87543 31.55116 
1 1 1  -42   18   16 o   57.485   12.054  1436.43  544.650  1806.85  1743.54  1396.37  573.342   66.030   24.472   56.490   12.796 9.540516 27.61605 
1 1 1  -42   18   17 o   28.909   12.161   75.706  485.121  382.217  1866.80   53.508  502.380   53.943   23.303   29.033   12.303 24.91075 26.35124 
1 1 1  -42   18   18 o   81.063   12.841  2883.55  817.021  2679.09  2383.50  2910.77  869.713   73.381   28.290   81.050   13.704 -7.668976 31.43443 
1 1 1  -42   18   19 o  110.044   11.340  5249.63  998.729  1133.65  2911.94  5798.35  1063.22   62.837   28.044  115.611   11.478 -52.77442 30.30178 
1 1 1  -42   18   20 o   81.140   13.297  3001.87  845.670  2442.25  2485.90  3075.10  899.307   65.686   27.575   81.625   14.077 -15.93910 30.96075 
1 1 1  -42   18   21 o   23.448   11.654 -1792.6650  861.347 -2354.7891  2710.29 -1729.5120  908.445   43.631   21.498   24.629   12.193 19.00205 24.71539 
1 1 1  -42   18   22 o   46.805   19.123  1172.32  1151.61  1285.25  3356.64  1157.25  1226.03   51.370   25.018   46.797   19.484 4.573055 31.70981 
1 1 1  -42   20    1 o  169.986   14.062 11890.49  1923.41   0.0000   0.0000 11890.49  1923.41  ?   ?   169.986   14.062 0.000000 14.06164 
1 1 1  -42   20    2 o  219.175   15.221 19755.44  2691.99   0.0000   0.0000 19755.44  2691.99  ?   ?   219.175   15.221 0.000000 15.22110 
1 1 1  -42   20    3 o   81.839   12.476  2796.33  802.801  1116.72  1880.84  3170.50  887.729   64.532   25.060   87.173   12.934 -22.64079 28.20072 
1 1 1  -42   20    4 o  486.215   23.771 98084.42  9384.67 80890.60 16651.74 106087.70 11360.78  424.823   49.184  502.910   27.931 -78.08701 56.56142 
1 1 1  -42   20    5 o  174.225   14.446 12512.75  2025.23   0.0000   0.0000 12512.75  2025.23  ?   ?   174.225   14.446 0.000000 14.44639 
1 1 1  -42   20    6 o  143.025   12.427  8423.73  1428.82  8103.25  2562.77  8568.27  1721.14  137.736   23.774  143.807   14.959 -6.071030 28.08898 
1 1 1  -42   20    7 o  255.630   15.655 26945.50  3233.82 26646.90  5044.54 27153.82  4213.48  251.220   25.065  255.227   20.505 -4.007477 32.38360 
1 1 1  -42   20    8 o  326.622   19.187 44339.21  5066.21 39442.88  7615.45 48226.52  6785.56  302.113   31.508  338.065   24.895 -35.95193 40.15648 
1 1 1  -42   20    9 o  258.873   16.210 27775.08  3390.04 25321.93  5213.86 29571.71  4461.96  242.817   26.897  265.397   20.874 -22.57947 34.04652 
1 1 1  -42   20   10 o  235.231   15.207 22968.72  2888.95 22408.43  4548.46 23347.59  3740.28  228.182   24.956  235.422   19.749 -7.239609 31.82541 
1 1 1  -42   20   11 o  269.689   11.789 29946.11  2581.51 32138.14  5241.33 29244.04  2966.25  272.662   23.916  265.485   13.808 7.177704 27.61581 
1 1 1  -42   20   12 o  389.165   15.988 63522.52  5051.98 67495.35  9482.22 61947.78  5969.84  384.235   30.648  381.060   19.358 3.175323 36.24958 
1 1 1  -42   20   13 o  186.270   10.122 14359.12  1525.11 14055.46  3576.58 14426.60  1686.08  175.572   25.863  186.316   11.197 -10.74423 28.18319 
1 1 1  -42   20   14 o   45.046   11.978  876.595  445.673 -881.8384  1815.25  989.390  459.745   46.689   21.356   47.791   11.895 -1.101963 24.44546 
1 1 1  -42   20   15 o   31.097   12.223  249.936  451.793  2629.75  1867.33  101.964  465.628   75.355   25.577   28.927   12.022 46.42789 28.26147 
1 1 1  -42   20   16 o   73.555   10.541  2307.14  611.569  2516.50  2162.30  2288.94  637.603   73.668   27.263   73.077   11.094 0.5907745 29.43394 
1 1 1  -42   20   17 o   94.852   10.634  3837.39  804.912  6584.42  2608.22  3548.23  846.216  110.358   28.801   90.683   11.770 19.67446 31.11333 
1 1 1  -42   20   18 o   45.965   14.296  943.116  590.229  1018.41  2069.22  936.447  615.813   57.878   24.760   45.915   14.646 11.96321 28.76801 
1 1 1  -42   20   19 o   31.583   13.330  141.113  585.996  2605.06  2172.19 -52.2800  608.558   67.858   26.760   29.675   13.053 38.18339 29.77341 
1 1 1  -42   20   20 o   57.702   20.524  1795.79  1209.46 -1269.7020  3125.26  2335.76  1311.66   49.912   24.270   64.324   21.436 -14.41201 32.38120 
1 1 1  -42   20   21 o   36.539   16.717 -55.3217  1112.91  1911.57  3273.05 -312.4496  1183.42   55.117   26.291   35.718   16.653 19.39977 31.12157 
1 1 1  -42   20   22 o   67.985   21.232  3214.52  1300.41  228.707  3999.89  3567.41  1375.11   46.286   23.305   71.069   21.775 -24.78279 31.89422 
1 1 1  -42   22    1 f  137.495   14.354  7823.89  1578.83   0.0000   0.0000  7823.89  1578.83  ?   ?   137.495   14.354 0.000000 14.35357 
1 1 1  -42   22    2 o  313.124   19.473 40610.36  4926.32   0.0000   0.0000 40610.36  4926.32  ?   ?   313.124   19.473 0.000000 19.47258 
1 1 1  -42   22    3 o  276.498   17.554 31593.49  3920.67   0.0000   0.0000 31593.49  3920.67  ?   ?   276.498   17.554 0.000000 17.55444 
1 1 1  -42   22    4 o  429.747   25.296 77532.98  8787.81   0.0000   0.0000 77532.98  8787.81  ?   ?   429.747   25.296 0.000000 25.29583 
1 1 1  -42   22    5 o  399.088   19.204 65905.85  6223.12 58471.55 11192.86 69232.27  7487.01  364.184   38.432  406.909   22.752 -42.72583 44.66153 
1 1 1  -42   22    6 o  365.901   22.145 56079.91  6548.39 47524.06  9959.37 62595.67  8691.26  326.958   38.237  383.104   28.137 -56.14651 47.47369 
1 1 1  -42   22    7 o  161.091   13.683 10739.04  1772.87  9347.30  3251.99 11327.59  2114.76  145.698   28.510  164.920   15.993 -19.22174 32.68939 
1 1 1  -42   22    8 o   66.768   15.142  1913.28  801.984 -89.6083  1857.67  2372.09  889.108   53.783   23.240   74.470   15.218 -20.68673 27.77900 
1 1 1  -42   22    9 o  154.776   25.243 10525.07  3063.00 10525.07  3063.00   0.0000   0.0000  154.776   25.243  ?   ?  0.000000 25.24305 
1 1 1  -42   22   10 o   19.882   9.7377 -1029.5490  529.926 -570.6498  1462.71 -1098.8810  568.550   43.894   19.712   20.618   10.096 23.27600 22.14686 
1 1 1  -42   22   11 o  255.987   17.424 27852.48  3600.04 22764.84  5679.27 31270.01  4654.69  219.327   32.906  268.188   21.557 -48.86096 39.33853 
1 1 1  -42   22   12 o  113.584   8.7739  5335.96  802.913  4529.60  2836.45  5406.20  837.154   97.108   31.482  114.255   9.0993 -17.14668 32.77065 
1 1 1  -42   22   13 o  190.173   10.019 15015.84  1541.69 17657.46  3926.12 14534.26  1676.33  195.402   25.342  186.615   11.113 8.787445 27.67203 
1 1 1  -42   22   14 o   36.226   12.049  527.404  414.471 -1115.3580  2761.31  565.269  419.220   56.327   25.975   37.179   12.106 19.14883 28.65759 
1 1 1  -42   22   15 o  138.872   9.9085  8084.44  1109.95  5087.91  3384.25  8445.62  1174.94   95.449   34.291  141.788   10.275 -46.33969 35.79743 
1 1 1  -42   22   16 o  107.897   10.138  4930.44  877.766 -16.2066  3187.11  5336.44  913.078   62.245   28.405  112.292   10.123 -50.04657 30.15481 
1 1 1  -42   22   17 o   57.951   13.612  1520.88  629.607 -1201.5920  2997.60  1646.52  643.972   54.509   25.755   60.392   13.475 -5.882454 29.06727 
1 1 1  -42   22   18 o   53.865   14.713  1356.44  661.689 -2548.8379  3230.91  1527.41  676.018   50.307   24.510   57.206   14.527 -6.899502 28.49145 
1 1 1  -42   22   19 o   55.196   20.777  1559.51  1266.32  2336.07  3560.49  1447.05  1354.92   63.776   29.440   54.109   21.198 9.666779 36.27721 
1 1 1  -42   22   20 o   83.305   22.714  4277.88  1578.65 -109.0473  4199.33  4999.88  1703.61   52.995   26.232   89.885   23.189 -36.88944 35.01237 
1 1 1  -42   22   21 o   26.792   13.014 -974.5140  892.185 -2855.2009  4085.49 -880.3337  914.252   43.798   22.223   27.651   13.370 16.14671 25.93444 
1 1 1  -42   24    1 o  234.262   17.132 22782.08  3236.09   0.0000   0.0000 22782.08  3236.09  ?   ?   234.262   17.132 0.000000 17.13177 
1 1 1  -42   24    2 o  348.112   21.166 50711.66  5954.33   0.0000   0.0000 50711.66  5954.33  ?   ?   348.112   21.166 0.000000 21.16616 
1 1 1  -42   24    3 o  516.020   28.760 114135.00 12002.34   0.0000   0.0000 114135.00 12002.34  ?   ?   516.020   28.760 0.000000 28.76016 
1 1 1  -42   24    4 o  257.037   15.976 27394.85  3317.71 21748.99  6540.70 29350.72  3849.72  218.352   38.288  265.362   17.973 -47.01006 42.29626 
1 1 1  -42   24    5 o  230.232   14.777 21964.20  2747.81 19517.97  5452.25 22797.07  3181.38  208.659   33.301  233.868   16.867 -25.20847 37.32849 
1 1 1  -42   24    6 o  237.709   15.546 23512.98  2984.08 20495.63  5682.26 24662.04  3506.54  212.387   34.104  242.509   17.935 -30.12230 38.53258 
1 1 1  -42   24    7 o  292.295   19.387 36120.48  4575.01 31150.85  7398.02 39197.94  5821.69  259.172   36.138  301.432   23.984 -42.26016 43.37329 
1 1 1  -42   24    8 o  120.246   31.135  6758.16  3063.79  6758.16  3063.79   0.0000   0.0000  120.246   31.135  ?   ?  0.000000 31.13462 
1 1 1  -42   24    9 o   70.877   17.215  2201.42  980.872  1897.74  2322.91  2267.32  1082.07   73.134   27.995   71.763   18.464 1.370667 33.53514 
1 1 1  -42   24   10 o   34.978   14.724   93.493  711.971  966.673  2229.39  -5.6765  751.313   64.397   26.492   34.682   14.881 29.71421 30.38560 
1 1 1  -42   24   11 o   53.677   17.455  1210.54  871.669  476.449  2216.16  1344.89  948.084   60.278   25.702   56.301   18.196 3.976532 31.49057 
1 1 1  -42   24   12 o  152.172   9.8043  9628.25  1204.96  8006.68  3723.77  9817.90  1273.48  122.470   35.430  153.492   10.277 -31.02183 36.89020 
1 1 1  -42   24   13 o  153.974   9.5375  9875.45  1186.53  8958.02  3575.27  9989.00  1257.82  129.148   33.728  154.635   10.073 -25.48784 35.19976 
1 1 1  -42   24   14 o   83.984   10.035  2984.71  670.744  612.315  2840.41  3124.82  690.266   64.101   28.197   85.942   10.083 -21.84055 29.94585 
1 1 1  -42   24   15 o  184.079   11.316 14412.25  1683.16 11425.11  4798.60 14831.32  1797.35  128.231   40.883  186.264   11.947 -58.03236 42.59296 
1 1 1  -42   24   16 o  122.430   10.274  6392.62  1011.89  6156.61  4060.75  6408.25  1044.85   92.752   36.584  122.382   10.620 -29.63044 38.09446 
1 1 1  -42   24   17 o   61.143   13.439  1712.09  649.017 -5160.6001  3819.62  1916.42  658.594   48.853   24.323   65.031   12.928 -16.17797 27.54484 
1 1 1  -42   24   18 o   28.295   13.493 -854.7015  860.979  934.610  3153.58 -998.8148  894.980   58.034   27.100   28.132   13.507 29.90139 30.27968 
1 1 1  -42   24   19 o   65.051   22.847  2689.31  1494.47  3421.24  4658.67  2605.35  1577.87   61.340   29.782   63.434   23.322 -2.093296 37.82673 
1 1 1  -42   24   20 o   64.386   23.590  3162.67  1612.27  3972.99  5103.33  3072.82  1699.31   54.662   27.353   62.377   23.928 -7.715466 36.34180 
1 1 1  -42   26    1 o   72.183   18.400  2263.21  1081.65   0.0000   0.0000  2263.21  1081.65  ?   ?    72.183   18.400 0.000000 18.39997 
1 1 1  -42   26    2 o  259.922   18.515 28445.93  3882.07   0.0000   0.0000 28445.93  3882.07  ?   ?   259.922   18.515 0.000000 18.51524 
1 1 1  -42   26    3 o  223.661   18.252 21104.28  3285.69   0.0000   0.0000 21104.28  3285.69  ?   ?   223.661   18.252 0.000000 18.25161 
1 1 1  -42   26    4 o  207.468   15.570 18015.63  2603.78 17067.88  5621.43 18274.50  2937.95  188.883   37.970  208.128   17.549 -19.24464 41.82935 
1 1 1  -42   26    5 o  110.437   15.325  5173.23  1337.15  7549.23  3463.91  4757.17  1449.50  126.217   33.313  105.118   17.605 21.09834 37.67847 
1 1 1  -42   26    6 o  174.019   14.969 12726.98  2094.43  9391.28  4826.26 13500.94  2324.74  135.953   40.609  178.760   16.192 -42.80782 43.71774 
1 1 1  -42   26    7 o  192.003   15.716 15576.25  2428.70 15397.24  5054.21 15629.99  2769.39  177.016   36.380  191.159   18.056 -14.14296 40.61476 
1 1 1  -42   26    8 o  353.664   22.962 55128.17  6558.04 51513.86 10494.48 57443.86  8400.19  314.707   42.126  351.999   29.667 -37.29230 51.52425 
1 1 1  -42   26    9 o  147.554   15.135  9277.46  1787.68 11436.26  3781.33  8656.07  2028.71  153.287   31.436  141.056   18.133 12.23077 36.29072 
1 1 1  -42   26   10 o  109.637   15.973  5216.33  1380.19  3807.75  3163.84  5547.39  1533.84   89.885   33.028  112.502   17.349 -22.61651 37.30729 
1 1 1  -42   26   11 o   33.583   14.823 -167.5397  791.187  957.357  2681.27 -274.8279  828.058   66.516   28.314   33.379   14.922 33.13662 32.00494 
1 1 1  -42   26   12 o   69.912   19.218  2249.23  1124.73  1714.76  3058.95  2332.78  1209.45   72.588   30.537   70.977   20.084 1.610733 36.54922 
1 1 1  -42   26   13 o  187.851   10.912 14890.72  1657.29 19057.20  5116.43 14402.33  1751.74  183.488   35.626  184.165   11.776 -0.6769409 37.52198 
1 1 1  -42   26   14 o   95.220   9.4196  3831.80  718.728  675.146  3560.33  3965.90  733.836   66.873   30.325   96.874   9.4497 -30.00124 31.76291 
1 1 1  -42   26   15 o   73.571   10.641  2344.75  617.213  1065.94  3569.67  2384.16  626.651   66.211   30.155   74.165   10.717 -7.953804 32.00292 
1 1 1  -42   26   16 o   87.128   22.270  4018.28  1581.47 -2466.8821  4055.08  5181.60  1717.47   55.406   27.094   99.976   21.774 -44.56981 34.75922 
1 1 1  -42   26   17 o   71.640   23.059  2978.68  1523.74  1078.29  4221.63  3263.33  1633.88   61.044   29.316   74.126   23.879 -13.08117 37.81100 
1 1 1  -42   26   18 o   28.112   13.828 -1688.0649  1105.28 -2731.2319  4601.14 -1624.1830  1138.62   50.374   25.314   28.908   14.182 21.46537 29.01601 
1 1 1  -42   26   19 o   39.058   18.073  113.394  1353.88  -9.7206  5562.61  121.146  1395.85   50.309   25.567   39.444   18.287 10.86520 31.43381 
1 1 1  -42   28    1 o  232.072   18.979 23006.33  3545.05   0.0000   0.0000 23006.33  3545.05  ?   ?   232.072   18.979 0.000000 18.97920 
1 1 1  -42   28    2 o   72.922   21.325  2341.65  1342.55   0.0000   0.0000  2341.65  1342.55  ?   ?    72.922   21.325 0.000000 21.32501 
1 1 1  -42   28    3 o   38.520   16.306   85.668  880.968   0.0000   0.0000   85.668  880.968  ?   ?    38.520   16.306 0.000000 16.30591 
1 1 1  -42   28    4 o  156.946   18.133 10592.69  2268.27   0.0000   0.0000 10592.69  2268.27  ?   ?   156.946   18.133 0.000000 18.13323 
1 1 1  -42   28    5 o  219.378   27.530 22034.80  4795.87 23909.74  6785.54 20163.34  6779.24  215.852   40.195  193.369   44.148 22.48260 59.70515 
1 1 1  -42   28    6 o  119.882   17.190  6225.66  1625.43  5725.42  4171.69  6315.20  1764.91  106.871   38.106  120.093   18.709 -13.22200 42.45107 
1 1 1  -42   28    7 o  140.189   16.307  8459.32  1821.53  9869.90  4825.92  8224.97  1967.02  133.610   40.765  137.342   18.078 -3.732208 44.59412 
1 1 1  -42   28    8 o   47.116   17.599  772.224  905.141 -4790.2778  3282.11  1230.10  941.658   50.410   24.592   54.278   18.164 -3.868069 30.57248 
1 1 1  -42   28    9 o  159.087   16.941 11031.88  2154.65 10029.67  4693.38 11299.50  2425.33  131.283   40.228  159.590   19.096 -28.30748 44.53061 
1 1 1  -42   28   10 o   50.186   18.503  949.901  994.142 -349.6470  3372.90  1073.54  1040.36   64.728   29.415   52.317   18.982 12.41021 35.00800 
1 1 1  -42   28   11 o  102.636   19.600  4858.12  1573.86  6501.14  4397.66  4616.77  1685.50  102.738   38.710   98.755   21.620 3.983109 44.33772 
1 1 1  -42   28   12 o   70.324   20.665  2361.25  1257.99 10404.54  4107.03  1528.49  1321.51  129.544   37.131   59.229   21.409 70.31487 42.86070 
1 1 1  -42   28   13 o   84.011   9.2216  2991.29  618.698  2473.81  3874.69  3004.83  626.739   74.949   32.952   84.162   9.3283 -9.212730 34.24680 
1 1 1  -42   28   14 o   99.746   9.3178  4232.88  745.911  9944.04  5003.05  4103.04  754.342  105.615   40.911   98.058   9.5974 7.557388 42.02153 
1 1 1  -42   28   15 o   76.197   22.903  3188.56  1531.67  5835.40  4584.31  2855.96  1625.06   80.925   35.700   71.376   23.862 9.548286 42.94061 
1 1 1  -42   28   16 f   39.396   18.065 -219.4944  1309.78  726.234  4505.26 -306.8072  1368.91   59.783   29.086   39.579   18.265 20.20371 34.34486 
1 1 1  -42   28   17 o   54.561   22.235  1759.08  1551.97  3305.40  5146.52  1604.40  1627.74   59.935   29.550   53.234   22.329 6.701092 37.03777 
1 1 1  -42   28   18 o   50.782   21.784  1708.43  1609.49  715.173  5630.28  1796.82  1679.58   50.602   25.717   51.355   22.144 -0.7534561 33.93703 
1 1 1  -42   30    1 f  207.864   20.289 18895.66  3380.76   0.0000   0.0000 18895.66  3380.76  ?   ?   207.864   20.289 0.000000 20.28945 
1 1 1  -42   30    2 o  242.994   21.008 25946.91  4104.12   0.0000   0.0000 25946.91  4104.12  ?   ?   242.994   21.008 0.000000 21.00773 
1 1 1  -42   30    3 o  192.252   41.210 19895.91  6239.68   0.0000   0.0000 19895.91  6239.68  ?   ?   192.252   41.210 0.000000 41.21011 
1 1 1  -42   30    4 o   19.096   9.5748 -1818.2460  640.356   0.0000   0.0000 -1818.2460  640.356  ?   ?    19.096   9.5748 0.000000 9.574766 
1 1 1  -42   30    5 o   72.811   22.293  2408.50  1441.61   0.0000   0.0000  2408.50  1441.61  ?   ?    72.811   22.293 0.000000 22.29266 
1 1 1  -42   30    6 o   55.015   20.035  1170.46  1160.55  4521.45  4522.36  934.220  1200.76   96.105   38.384   52.501   20.120 43.60456 43.33803 
1 1 1  -42   30    7 o   51.715   20.133  867.929  1216.40 -2835.1150  4336.09  1184.24  1267.29   64.243   30.536   55.906   20.835 8.336628 36.96713 
1 1 1  -42   30    8 o  112.755   19.185  5762.15  1693.52  3611.17  5712.32  5969.42  1773.24   91.235   40.063  114.433   19.801 -23.19877 44.68960 
1 1 1  -42   30    9 o   93.028   21.380  4097.77  1581.07 -2048.4490  5162.76  4733.86  1660.88   69.692   33.182  100.378   21.050 -30.68613 39.29539 
1 1 1  -42   30   10 o  119.386   19.619  6612.88  1835.76  3322.46  5040.16  7116.15  1971.15   84.259   37.289  123.327   20.398 -39.06767 42.50317 
1 1 1  -42   30   11 o  115.364   20.006  6305.30  1806.05  9032.11  5438.14  5967.26  1914.73  105.910   42.158  110.435   22.124 -4.524475 47.61057 
1 1 1  -42   30   12 o  155.470   19.356 11484.93  2390.47 16604.05  6276.63 10616.43  2585.31  132.243   46.785  145.840   22.561 -13.59644 51.94064 
1 1 1  -42   30   13 o  114.294   21.102  6595.85  1886.22 12686.35  5598.42  5815.96  2003.35  109.802   43.068  103.779   24.217 6.022415 49.40973 
1 1 1  -42   30   14 o  127.439   23.576  8917.50  2349.72  3287.43  6099.20  9898.74  2546.26   69.532   33.832  133.074   24.467 -63.54173 41.75204 
1 1 1  -42   30   15 o   36.963   17.233 -459.6489  1267.03  2282.27  5172.42 -634.6793  1306.84   61.881   30.332   36.488   17.168 25.39331 34.85389 
1 1 1  -42   30   16 o   59.039   23.600  2405.85  1711.13  7573.71  6340.87  1999.95  1777.05   63.078   31.394   55.420   23.293 7.658356 39.09129 
1 1 1  -42   32    1 o  156.212   22.537 11157.08  2775.90   0.0000   0.0000 11157.08  2775.90  ?   ?   156.212   22.537 0.000000 22.53727 
1 1 1  -42   32    2 o  102.098   24.917  4985.68  2047.50   0.0000   0.0000  4985.68  2047.50  ?   ?   102.098   24.917 0.000000 24.91749 
1 1 1  -42   32    3 o   95.915   25.100  4437.41  1977.46   0.0000   0.0000  4437.41  1977.46  ?   ?    95.915   25.100 0.000000 25.10027 
1 1 1  -42   32    4 o  140.756   22.901  9222.99  2527.30   0.0000   0.0000  9222.99  2527.30  ?   ?   140.756   22.901 0.000000 22.90058 
1 1 1  -42   32    5 o   78.400   23.770  2942.37  1644.57   0.0000   0.0000  2942.37  1644.57  ?   ?    78.400   23.770 0.000000 23.77001 
1 1 1  -42   32    6 o  118.662   21.213  6565.08  1968.80  7959.95  7147.39  6450.55  2048.03  105.662   45.621  116.739   22.421 -11.07666 50.83295 
1 1 1  -42   32    7 o   66.333   21.921  2051.94  1372.69  1214.11  6206.50  2095.03  1407.55   81.477   38.038   66.933   22.201 14.54384 44.04292 
1 1 1  -42   32    8 o   32.165   14.983 -715.5518  954.661 -14358.0400  5613.66 -309.2530  968.773   51.235   26.002   35.502   15.984 15.73283 30.52170 
1 1 1  -42   32    9 o   46.924   19.581  516.202  1242.34 -6695.0889  5005.08  989.669  1282.48   56.397   28.040   52.165   20.565 4.231171 34.77261 
1 1 1  -42   32   10 o  116.978   21.763  6793.47  1991.06  3291.56  6387.28  7170.37  2095.47   79.329   37.517  119.610   22.399 -40.28121 43.69521 
1 1 1  -42   32   11 o   97.154   24.617  5149.75  1944.22  6675.93  6349.55  4991.86  2042.32   83.583   38.837   94.071   25.912 -10.48775 46.68805 
1 1 1  -42   32   12 o   55.835   22.505  1441.52  1570.23  4199.69  5959.78  1235.78  1627.74   72.702   34.893   54.270   22.510 18.43228 41.52380 
1 1 1  -42   32   13 o  109.142   24.888  7070.29  2156.63   92.241  8015.44  7614.88  2239.21   62.833   31.798  113.283   25.013 -50.45022 40.45658 
1 1 1  -42   32   14 o   72.589   24.933  3620.96  1775.09  3129.21  6860.19  3656.24  1837.68   60.244   30.356   72.197   25.336 -11.95303 39.54000 
1 1 1  -42   32   15 o   82.058   26.590  5331.12  2023.54  6418.40  7823.19  5253.16  2094.83   56.851   29.022   79.672   27.090 -22.82099 39.70066 
1 1 1  -42   34    1 o  165.045   26.297 13449.52  3405.89   0.0000   0.0000 13449.52  3405.89  ?   ?   165.045   26.297 0.000000 26.29747 
1 1 1  -42   34    2 o   96.144   28.104  4834.66  2332.27   0.0000   0.0000  4834.66  2332.27  ?   ?    96.144   28.104 0.000000 28.10430 
1 1 1  -42   34    3 o  115.738   26.018  6763.25  2385.64   0.0000   0.0000  6763.25  2385.64  ?   ?   115.738   26.018 0.000000 26.01836 
1 1 1  -42   34    4 o   84.035   26.179  3642.76  1978.34   0.0000   0.0000  3642.76  1978.34  ?   ?    84.035   26.179 0.000000 26.17926 
1 1 1  -42   34    5 o   80.597   26.367  3389.33  1987.81   0.0000   0.0000  3389.33  1987.81  ?   ?    80.597   26.367 0.000000 26.36709 
1 1 1  -42   34    6 o   41.100   18.140 -50.3576  1185.10   0.0000   0.0000 -50.3576  1185.10  ?   ?    41.100   18.140 0.000000 18.14039 
1 1 1  -42   34    7 o   83.053   25.490  3716.91  1883.44  860.770  7950.46  3886.72  1938.62   77.319   37.837   84.639   25.840 -7.319069 45.81918 
1 1 1  -42   34    8 o  105.747   24.941  6007.54  2106.74  475.200  9227.49  6311.78  2163.89   75.439   37.599  108.337   25.092 -32.89770 45.20267 
1 1 1  -42   34    9 o   83.949   24.591  3950.43  1783.99 -7943.7622  8979.62  4439.18  1820.27   64.139   32.585   89.469   24.388 -25.32911 40.70078 
1 1 1  -42   34   10 o   58.090   22.561  1715.38  1524.62  2675.30  9980.57  1692.44  1542.73   70.183   35.514   57.890   22.636 12.29337 42.11409 
1 1 1  -42   34   11 o   63.195   23.236  2352.54  1566.24 -4840.0459  9862.21  2538.65  1586.38   60.820   31.166   65.161   23.470 -4.340714 39.01534 
1 1 1  -42   34   12 o   49.564   21.325  1093.75  1550.70 -3250.0439  9076.53  1224.35  1573.84   57.056   29.282   50.685   21.636 6.370922 36.40869 
1 1 1  -42   34   13 o   62.603   24.848  3028.19  1884.24 -11399.4004  8642.03  3748.28  1930.69   49.058   25.320   68.765   25.699 -19.70679 36.07719 
1 1 1  -42   36    1 o   33.447   16.432 -2589.1160  1545.57   0.0000   0.0000 -2589.1160  1545.57  ?   ?    33.447   16.432 0.000000 16.43201 
1 1 1  -42   36    2 o   60.248   25.626  1252.75  2193.25   0.0000   0.0000  1252.75  2193.25  ?   ?    60.248   25.626 0.000000 25.62561 
1 1 1  -42   36    3 o   46.637   21.659 -705.7628  1970.60   0.0000   0.0000 -705.7628  1970.60  ?   ?    46.637   21.659 0.000000 21.65875 
1 1 1  -42   36    4 o  180.264   29.804 18735.33  4209.95   0.0000   0.0000 18735.33  4209.95  ?   ?   180.264   29.804 0.000000 29.80434 
1 1 1  -42   36    5 o   32.263   15.885 -2480.4929  1470.85   0.0000   0.0000 -2480.4929  1470.85  ?   ?    32.263   15.885 0.000000 15.88545 
1 1 1  -42   36    6 o   78.458   27.155  3755.88  2107.52   0.0000   0.0000  3755.88  2107.52  ?   ?    78.458   27.155 0.000000 27.15511 
1 1 1  -42   36    7 o   40.383   18.555 -331.0894  1391.55   0.0000   0.0000 -331.0894  1391.55  ?   ?    40.383   18.555 0.000000 18.55500 
1 1 1  -42   36    8 o   55.566   23.952  1392.45  1963.77  3418.55 10750.03  1322.51  1997.38   67.442   34.392   55.219   23.979 12.22300 41.92632 
1 1 1  -42   36    9 o   56.917   23.565  1824.33  1779.19 13210.84 10683.28  1499.52  1804.39   69.734   35.439   54.424   23.198 15.31002 42.35616 
1 1 1  -42   36   10 o   46.088   21.108  454.099  1780.99 21490.17 12257.62   0.4287  1800.09   67.014   34.367   43.844   20.474 23.16966 40.00383 
1 1 1  -42   38    1 o   65.010   27.973  2471.10  2668.86   0.0000   0.0000  2471.10  2668.86  ?   ?    65.010   27.973 0.000000 27.97342 
1 1 1  -42   38    2 o   66.694   29.229  2843.25  3027.29   0.0000   0.0000  2843.25  3027.29  ?   ?    66.694   29.229 0.000000 29.22923 
1 1 1  -42   38    3 o   85.793   33.288  6373.59  3316.60   0.0000   0.0000  6373.59  3316.60  ?   ?    85.793   33.288 0.000000 33.28802 
1 1 1  -42   38    4 o   89.559   32.398  6662.98  3027.28   0.0000   0.0000  6662.98  3027.28  ?   ?    89.559   32.398 0.000000 32.39810 
1 1 1  -42   38    5 o   90.598   32.221  6985.95  2980.92   0.0000   0.0000  6985.95  2980.92  ?   ?    90.598   32.221 0.000000 32.22149 
1 1 1  -42   38    6 o   61.512   26.367  2635.52  2354.78   0.0000   0.0000  2635.52  2354.78  ?   ?    61.512   26.367 0.000000 26.36702 
1 1 1  -41    1    1 o  860.893   41.858 304806.31 29259.16 333057.00 41377.28 276551.59 41380.12  893.186   57.357  811.098   63.334 82.08759 85.44590 
1 1 1  -41    1    3 o  379.703   26.624 59154.79  8156.31 59154.79  8156.31   0.0000   0.0000  379.703   26.624  ?   ?  0.000000 26.62360 
1 1 1  -41    1    4 o  607.898   29.327 151206.80 14475.66 145953.80 20489.20 156442.00 20454.18  593.169   42.829  614.683   41.221 -21.51343 59.44296 
1 1 1  -41    1    5 o  963.403   46.700 385670.91 36531.38 383334.81 51689.91 388002.09 51636.46  946.539   67.703  952.675   67.184 -6.136902 95.37991 
1 1 1  -41    1    6 o  283.878   20.890 33080.99  4781.37 33080.99  4781.37   0.0000   0.0000  283.878   20.890  ?   ?  0.000000 20.89030 
1 1 1  -41    1    7 o  124.777   11.987  6393.98  1199.54   0.0000   0.0000  6393.98  1199.54  ?   ?   124.777   11.987 0.000000 11.98718 
1 1 1  -41    1    8 o  287.891   11.712 33742.99  2737.78 34608.23  4792.23 33323.78  3335.73  290.019   20.482  285.529   14.435 4.490143 25.05759 
1 1 1  -41    1    9 o  333.802   13.115 45423.55  3554.66 52842.52  6220.90 41826.88  4331.43  358.168   21.490  319.468   16.756 38.69955 27.25085 
1 1 1  -41    1   10 o  415.770   14.706 70589.90  4964.64 73148.88  7022.74 68033.36  7019.39  422.086   20.491  406.327   21.351 15.75919 29.59285 
1 1 1  -41    1   11 o  381.438   19.306 59892.35  5959.81 60334.84  8442.89 59452.88  8414.08  380.176   27.537  377.329   27.656 2.847015 39.02741 
1 1 1  -41    1   12 o  373.313   13.257 56932.03  4018.54 55930.88  5682.96 57933.26  5683.19  368.325   19.068  375.445   18.643 -7.120819 26.66683 
1 1 1  -41    1   13 f  364.129   12.873 54200.23  3805.89 54978.95  5381.18 53420.82  5383.52  365.506   18.132  359.740   18.493 5.766235 25.89907 
1 1 1  -41    1   14 o  398.393   14.409 65094.72  4660.98 66204.28  6588.69 63983.18  6594.57  399.268   20.391  392.331   20.775 6.937378 29.11045 
1 1 1  -41    1   15 o  283.762   10.328 32895.90  2379.55 31325.00  3361.57 34473.60  3368.83  275.535   15.083  289.652   14.324 -14.11685 20.80056 
1 1 1  -41    1   16 o  318.060   11.831 41506.45  3055.47 40901.93  4316.71 42113.41  4325.47  313.549   17.019  318.270   16.797 -4.721039 23.91243 
1 1 1  -41    1   17 o   95.709   6.2211  3750.11  480.830  3284.36  662.643  4268.05  698.788   89.055   9.3012  101.780   8.5344 -12.72515 12.62327 
1 1 1  -41    1   18 o   99.408   7.0772  4063.76  567.511  4625.69  792.116  3471.11  813.475  105.618   9.3327   90.903   11.262 14.71450 14.62663 
1 1 1  -41    1   19 o   82.233   7.1444  2795.65  472.296  3067.80  649.080  2489.43  688.518   85.609   9.4978   76.471   11.440 9.138184 14.86901 
1 1 1  -41    1   20 o  119.753   7.2774  5928.25  704.268  5502.43  986.159  6371.46  1006.11  114.144   10.768  123.148   10.152 -9.004257 14.79910 
1 1 1  -41    1   21 o   69.300   8.1420  2020.70  449.409  1599.25  618.131  2493.28  654.553   59.942   13.069   76.109   10.903 -16.16744 17.01990 
1 1 1  -41    1   22 o  128.343   7.9770  6906.61  827.178  6954.80  1142.22  6853.46  1199.49  126.873   11.203  125.448   11.919 1.425110 16.35756 
1 1 1  -41    1   23 o   66.644   8.4892  1907.81  448.939  2197.36  615.009  1577.52  656.844   70.296   11.147   57.906   14.101 12.38958 17.97504 
1 1 1  -41    1   24 o   20.049   9.2360 -213.9691  347.858 -468.4818  429.237  273.032  593.755   20.089   9.5655   32.686   13.580 -12.59647 16.61048 
1 1 1  -41    1   25 o   30.712   11.126  407.003  357.169  116.264  476.056  781.417  540.236   27.438   11.810   39.588   13.746 -12.15038 18.12276 
1 1 1  -41    3    1 o  657.491   46.521 179332.70 24675.40   0.0000   0.0000 179332.70 24675.40  ?   ?   657.491   46.521 0.000000 46.52097 
1 1 1  -41    3    5 o  569.333   39.854 134625.50 18307.66 134625.50 18307.66   0.0000   0.0000  569.333   39.854  ?   ?  0.000000 39.85438 
1 1 1  -41    3    6 o  652.114   31.815 175105.50 16846.01 169734.41 23885.57 180421.30 23762.62  635.395   46.623  655.997   44.882 -20.60284 64.71510 
1 1 1  -41    3    7 o  601.350   23.939 148275.91 11688.73 137785.59 20334.03 153452.91 14284.71  571.422   44.169  610.406   28.821 -38.98370 52.74024 
1 1 1  -41    3    8 o  510.173   20.335 106597.40  8423.71 100342.90 14673.41 109671.90 10287.87  488.695   37.260  516.454   24.533 -27.75873 44.61132 
1 1 1  -41    3    9 o  515.309   20.285 108892.40  8487.66 106667.10 14776.96 109988.00 10368.69  503.293   36.406  516.648   24.717 -13.35535 44.00316 
1 1 1  -41    3   10 o  458.904   17.913 86250.73  6674.81 95844.16 11638.38 81548.59  8148.03  479.094   30.071  444.508   22.650 34.58643 37.64678 
1 1 1  -41    3   11 o  371.746   15.142 56507.08  4570.39 54565.24  7986.91 57452.54  5573.04  361.420   27.421  374.221   18.341 -12.80148 32.98919 
1 1 1  -41    3   12 o  299.382   12.648 36598.44  3074.49 34511.42  5396.42 37601.43  3741.02  287.866   23.287  302.684   15.271 -14.81702 27.84749 
1 1 1  -41    3   13 o  367.474   12.880 55207.86  3843.20 57341.00  5429.57 53065.98  5440.66  373.292   17.913  358.409   18.761 14.88330 25.93937 
1 1 1  -41    3   14 o  301.220   11.186 37067.13  2735.83 39056.10  3862.83 35065.30  3875.30  307.941   15.499  291.479   16.441 16.46259 22.59473 
1 1 1  -41    3   15 f  296.194   11.217 35887.09  2697.65 37013.65  3804.47 34747.89  3825.74  299.335   15.708  289.802   16.325 9.532562 22.65473 
1 1 1  -41    3   16 o  301.784   11.476 37355.37  2812.10 37842.32  3968.17 36864.10  3985.72  301.792   16.254  297.728   16.553 4.063416 23.19844 
1 1 1  -41    3   17 o  106.825   6.4760  4671.66  559.065  5004.21  768.566  4297.95  814.726  110.227   8.6569  101.849   9.9801 8.377968 13.21152 
1 1 1  -41    3   18 o  116.473   6.8632  5568.81  646.201  5637.67  898.182  5494.92  930.401  116.595   9.5719  114.971   10.068 1.623726 13.89189 
1 1 1  -41    3   19 o  111.955   7.1005  5164.67  642.120  5143.91  892.270  5186.97  924.793  110.929   10.014  111.288   10.353 -0.3585739 14.40390 
1 1 1  -41    3   20 o   87.770   7.1949  3193.37  508.241  3174.79  694.826  3214.75  745.355   86.672   10.060   86.974   10.786 -0.3015366 14.74943 
1 1 1  -41    3   21 o  100.992   7.5351  4247.41  613.447  4239.56  831.317  4256.81  908.964   99.781   10.414   99.508   11.459 0.2725143 15.48458 
1 1 1  -41    3   22 o  158.136   8.2671 10502.16  1057.82 11238.02  1482.85  9739.65  1509.46  161.222   11.401  149.053   12.590 12.16904 16.98505 
1 1 1  -41    3   23 o   41.967   10.428  791.138  353.783  478.721  442.520  1344.52  588.949   34.515   12.400   53.606   13.530 -19.09129 18.35249 
1 1 1  -41    3   24 o   76.088   8.7866  2531.27  532.861  2480.21  691.664  2605.83  835.789   73.120   12.071   72.948   14.620 0.1717224 18.95914 
1 1 1  -41    3   25 o   24.266   10.113  125.933  330.765  117.440  407.777  142.269  565.557   25.946   11.043   29.425   12.769 -3.479094 16.88150 
1 1 1  -41    5    1 o  417.408   23.372 71301.08  7889.29 87536.43 10944.91 53742.46 11382.21  461.647   29.351  359.207   39.688 102.4408 49.36223 
1 1 1  -41    5    2 o  911.156   49.614 345688.91 36567.75 416461.00 51456.49 273478.81 51976.67  992.187   64.216  793.025   81.900 199.1620 104.0734 
1 1 1  -41    5    3 o  290.992   21.471 34721.22  5037.19 34721.22  5037.19   0.0000   0.0000  290.992   21.471  ?   ?  0.000000 21.47074 
1 1 1  -41    5    6 o  480.496   33.606 95846.35 13028.66   0.0000   0.0000 95846.35 13028.66  ?   ?   480.496   33.606 0.000000 33.60582 
1 1 1  -41    5    7 o  586.170   28.500 141665.70 13564.62   0.0000   0.0000 141665.70 13564.62  ?   ?   586.170   28.500 0.000000 28.50003 
1 1 1  -41    5    8 o  264.229   13.633 28538.46  2914.92   0.0000   0.0000 28538.46  2914.92  ?   ?   264.229   13.633 0.000000 13.63298 
1 1 1  -41    5    9 o  755.359   37.213 239755.59 22823.96   0.0000   0.0000 239755.59 22823.96  ?   ?   755.359   37.213 0.000000 37.21339 
1 1 1  -41    5   10 o  468.716   23.001 90533.66  8753.87   0.0000   0.0000 90533.66  8753.87  ?   ?   468.716   23.001 0.000000 23.00128 
1 1 1  -41    5   11 o  523.654   20.654 112863.90  8782.02 127279.30 15286.46 105762.30 10729.31  548.489   34.500  504.144   26.302 44.34500 43.38248 
1 1 1  -41    5   12 o  191.155   9.1812 14881.66  1425.03 12667.82  2588.80 15844.08  1706.90  174.577   18.547  196.839   10.720 -22.26216 21.42233 
1 1 1  -41    5   13 o  307.145   12.617 38567.09  3146.53 52342.19  5549.84 32041.61  3819.79  355.675   19.289  278.683   16.961 76.99121 25.68590 
1 1 1  -41    5   14 o  242.699   10.829 24058.89  2133.95 25135.00  3834.97 23576.25  2568.28  245.720   19.379  239.536   13.256 6.184464 23.47901 
1 1 1  -41    5   15 o  184.669   7.7036 13896.87  1155.13 13822.32  1606.67 13976.64  1661.92  183.528   10.830  184.495   11.146 -0.9672699 15.54098 
1 1 1  -41    5   16 o  235.339   9.0760 22639.43  1734.30 22108.61  2433.24 23187.56  2472.58  231.387   13.004  237.014   12.897 -5.627838 18.31457 
1 1 1  -41    5   17 o  112.756   6.6773  5207.51  608.612  5071.10  795.954  5399.54  944.367  110.881   8.9162  114.146   10.300 -3.264748 13.62326 
1 1 1  -41    5   18 o  209.813   8.5237 18096.63  1452.11 18417.21  2029.31 17760.23  2078.77  210.096   11.945  206.048   12.484 4.048141 17.27821 
1 1 1  -41    5   19 o   16.424   7.4572 -126.6216  216.174 -392.0886  256.123  530.879  403.080   14.818   7.1429   36.198   11.875 -21.37950 13.85752 
1 1 1  -41    5   20 o   79.682   7.4985  2641.93  479.440  2974.09  651.288  2249.00  708.362   83.920   9.7391   71.867   12.598 12.05296 15.92394 
1 1 1  -41    5   21 o   81.185   7.7771  2759.39  506.393  2442.54  634.039  3317.52  841.523   75.337   10.663   87.305   12.205 -11.96790 16.20642 
1 1 1  -41    5   22 o   72.441   7.9888  2220.10  462.084  2345.08  567.808  1975.02  795.133   73.791   9.7128   65.032   15.312 8.759361 18.13254 
1 1 1  -41    5   23 o   87.885   8.4524  3305.49  595.721  3257.51  772.769  3375.78  935.245   85.500   11.416   85.259   13.995 0.2407150 18.06122 
1 1 1  -41    5   24 o   96.374   8.9536  4066.97  692.631  3833.90  888.463  4428.10  1105.91   90.673   12.392   95.054   14.812 -4.381187 19.31181 
1 1 1  -41    5   25 o   22.253   9.9063 -44.2043  360.891   37.134  431.994 -232.1122  656.603   25.233   11.051   27.132   12.566 -1.898985 16.73371 
1 1 1  -41    7    1 o  842.695   60.225 301182.00 40936.71   0.0000   0.0000 301182.00 40936.71  ?   ?   842.695   60.225 0.000000 60.22477 
1 1 1  -41    7    2 o  465.929   34.272 89775.24 12874.85   0.0000   0.0000 89775.24 12874.85  ?   ?   465.929   34.272 0.000000 34.27232 
1 1 1  -41    7    3 o  519.090   36.498 111704.80 15285.46 111704.80 15285.46   0.0000   0.0000  519.090   36.498  ?   ?  0.000000 36.49797 
1 1 1  -41    7    4 o  450.621   21.981 82983.67  8042.63 83777.23 11440.72 82208.37 11308.42  450.162   31.499  445.924   31.433 4.238281 44.49969 
1 1 1  -41    7    5 o  323.263   15.942 42594.66  4184.40 47334.73  5974.15 38029.80  5862.69  339.506   21.787  303.770   23.964 35.73584 32.38697 
1 1 1  -41    7    6 o  277.703   20.816 31731.85  4659.58 31731.85  4659.58   0.0000   0.0000  277.703   20.816  ?   ?  0.000000 20.81605 
1 1 1  -41    7    7 o  476.429   24.897 93620.34  9597.96 76374.96 13660.41 110434.00 13488.36  424.791   40.079  514.828   32.433 -90.03717 51.55767 
1 1 1  -41    7    8 o  116.004   10.950  5527.32  1019.21   0.0000   0.0000  5527.32  1019.21  ?   ?   116.004   10.950 0.000000 10.95023 
1 1 1  -41    7    9 o  203.902   10.887 16980.20  1795.96 21453.50  2637.18 13111.16  2452.60  228.821   14.265  178.206   17.162 50.61497 22.31650 
1 1 1  -41    7   10 o   78.037   11.610  2536.01  713.231   0.0000   0.0000  2536.01  713.231  ?   ?    78.037   11.610 0.000000 11.60990 
1 1 1  -41    7   11 o  259.435   19.483 27829.05  4074.07   0.0000   0.0000 27829.05  4074.07  ?   ?   259.435   19.483 0.000000 19.48252 
1 1 1  -41    7   12 o  377.066   27.489 59731.40  8358.28   0.0000   0.0000 59731.40  8358.28  ?   ?   377.066   27.489 0.000000 27.48928 
1 1 1  -41    7   13 o  377.526   27.727 60204.80  8439.98   0.0000   0.0000 60204.80  8439.98  ?   ?   377.526   27.727 0.000000 27.72710 
1 1 1  -41    7   14 o  258.668   13.919 27528.33  2912.62   0.0000   0.0000 27528.33  2912.62  ?   ?   258.668   13.919 0.000000 13.91885 
1 1 1  -41    7   15 o  143.768   10.050  8489.19  1165.83   0.0000   0.0000  8489.19  1165.83  ?   ?   143.768   10.050 0.000000 10.05021 
1 1 1  -41    7   16 o   45.593   13.313  874.057  523.593   0.0000   0.0000  874.057  523.593  ?   ?    45.593   13.313 0.000000 13.31296 
1 1 1  -41    7   17 o  121.528   10.694  6133.02  1044.51   0.0000   0.0000  6133.02  1044.51  ?   ?   121.528   10.694 0.000000 10.69402 
1 1 1  -41    7   18 o  112.819   10.807  5324.87  977.824   0.0000   0.0000  5324.87  977.824  ?   ?   112.819   10.807 0.000000 10.80652 
1 1 1  -41    7   19 o  102.731   11.188  4460.87  918.190   0.0000   0.0000  4460.87  918.190  ?   ?   102.731   11.188 0.000000 11.18849 
1 1 1  -41    7   20 o  179.636   9.4865 13498.10  1378.78 14596.57  2135.95 12713.42  1805.28  183.334   14.466  172.112   13.014 11.22229 19.45861 
1 1 1  -41    7   21 o   55.075   8.6328  1294.99  373.362  1159.95  466.569  1535.43  622.586   51.212   11.502   58.424   13.408 -7.212368 17.66544 
1 1 1  -41    7   22 o   31.374   10.099  414.587  292.256  413.092  343.897  418.474  554.512   31.953   10.974   35.313   13.636 -3.360737 17.50404 
1 1 1  -41    7   23 o   77.672   8.4169  2592.94  522.336  2679.59  663.421  2451.61  847.229   77.635   10.818   71.416   15.083 6.219055 18.56194 
1 1 1  -41    7   24 o   18.325   8.5612 -254.4151  315.281 -488.9678  382.256  244.648  557.586   18.307   8.7996   31.336   13.101 -13.02954 15.78199 
1 1 1  -41    7   25 o   49.790   10.968  1201.27  431.426  1262.80  529.442  1079.66  744.292   49.463   13.009   43.771   16.029 5.692234 20.64362 
1 1 1  -41    9    1 o  382.644   28.995 60480.52  8941.57   0.0000   0.0000 60480.52  8941.57  ?   ?   382.644   28.995 0.000000 28.99472 
1 1 1  -41    9    2 o  626.740   45.359 165018.09 22926.93   0.0000   0.0000 165018.09 22926.93  ?   ?   626.740   45.359 0.000000 45.35923 
1 1 1  -41    9    3 o  370.069   16.140 55824.16  4849.80 76543.09  6983.47 36523.03  6740.30  432.889   19.868  296.803   28.312 136.0862 34.58777 
1 1 1  -41    9    4 o  310.489   15.392 39296.27  3880.46 45120.03  5562.73 33776.02  5415.83  331.520   20.770  286.152   23.517 45.36734 31.37615 
1 1 1  -41    9    5 o  478.078   23.544 93771.82  9139.56 93396.98 12971.91 94141.33 12879.17  473.316   33.979  475.350   33.585 -2.033752 47.77570 
1 1 1  -41    9    6 o  700.212   34.362 204060.00 19536.40 201655.09 27666.70 206451.70 27590.73  685.170   50.077  693.894   49.291 -8.724304 70.26600 
1 1 1  -41    9    7 f  226.594   12.706 20988.75  2328.39 16024.14  3325.96 25760.38  3260.68  196.542   21.176  250.630   16.108 -54.08786 26.60596 
1 1 1  -41    9    8 o  520.372   25.943 111830.30 10961.62   0.0000   0.0000 111830.30 10961.62  ?   ?   520.372   25.943 0.000000 25.94316 
1 1 1  -41    9    9 o  299.501   12.778 36586.32  3107.39 36571.14  5503.04 36593.43  3765.08  297.055   22.994  298.797   15.573 -1.741608 27.77151 
1 1 1  -41    9   10 o  359.771   14.843 52920.42  4335.86 55856.77  7622.63 51515.96  5271.78  366.178   25.802  353.833   18.413 12.34506 31.69858 
1 1 1  -41    9   11 o  151.786   8.0369  9401.73  986.977 10445.87  1877.63  9003.07  1160.19  159.113   14.700  148.347   9.6850 10.76573 17.60329 
1 1 1  -41    9   12 o  206.637   9.6003 17402.96  1610.77 19153.31  2946.12 16656.64  1923.76  215.241   16.996  201.618   11.803 13.62309 20.69184 
1 1 1  -41    9   13 o  308.101   16.337 39153.89  4072.46 38404.43  5871.10 39848.88  5653.70  302.354   24.115  308.594   22.723 -6.239685 33.13455 
1 1 1  -41    9   14 o  198.932   12.158 16265.69  1954.39 15511.12  2924.15 16874.90  2627.45  192.561   18.948  201.702   16.179 -9.140442 24.91538 
1 1 1  -41    9   15 o  282.418   15.271 33044.39  3488.96 34793.42  5044.80 31440.84  4830.44  286.876   21.821  272.534   22.017 14.34143 30.99843 
1 1 1  -41    9   16 o  270.655   15.602 30605.62  3414.27 27054.58  4949.55 33829.36  4715.94  249.110   24.800  281.589   20.773 -32.47908 32.35010 
1 1 1  -41    9   17 o  136.108   12.729  7768.79  1390.40  5695.52  2043.74  9555.18  1897.08  112.216   23.197  149.836   15.833 -37.61903 28.08493 
1 1 1  -41    9   18 o  185.659   13.001 14538.74  1947.46 14002.95  2908.65 14974.09  2621.87  177.345   20.582  185.601   17.609 -8.255524 27.08640 
1 1 1  -41    9   19 o  147.519   12.796  9270.59  1517.49 10292.14  2325.05  8512.52  2002.90  151.132   19.394  138.016   18.326 13.11594 26.68289 
1 1 1  -41    9   20 o   42.876   17.767  381.820  1012.62 -41.2401  1523.34  716.761  1355.44   46.450   20.531   50.663   20.728 -4.212830 29.17496 
1 1 1  -41    9   21 o   38.960   16.874   97.368  983.961 -1944.0250  1638.55  1248.69  1230.54   37.184   17.959   54.255   20.469 -17.07130 27.23045 
1 1 1  -41    9   22 o   41.901   18.095  279.406  1124.97 -591.4254  1531.14  1300.96  1658.36   41.107   19.091   55.600   22.858 -14.49286 29.78216 
1 1 1  -41    9   23 o   40.073   18.870 -623.0147  1584.21 -623.0147  1584.21   0.0000   0.0000   40.073   18.870  ?   ?  0.000000 18.86957 
1 1 1  -41   11    1 o   62.813   16.705  1666.21  866.794   0.0000   0.0000  1666.21  866.794  ?   ?    62.813   16.705 0.000000 16.70531 
1 1 1  -41   11    2 o  384.330   20.519 60596.22  6379.96   0.0000   0.0000 60596.22  6379.96  ?   ?   384.330   20.519 0.000000 20.51865 
1 1 1  -41   11    3 o  291.246   16.156 34714.34  3805.69 30814.89  5567.42 38134.49  5214.06  272.678   25.440  304.451   21.225 -31.77283 33.13112 
1 1 1  -41   11    4 o  230.738   12.735 21751.56  2376.60 23208.38  3478.51 20476.18  3254.69  237.614   18.167  223.112   18.123 14.50252 25.66068 
1 1 1  -41   11    5 o  103.466   8.1309  4379.25  677.589  7708.38  1020.41  1753.44  906.232  137.359   9.2023   64.381   17.062 72.97880 19.38499 
1 1 1  -41   11    6 o  162.630   10.480 10809.60  1376.49  9277.33  2003.91 12178.48  1894.05  149.760   16.767  172.290   13.651 -22.53023 21.62145 
1 1 1  -41   11    7 f  531.214   26.992 116964.20 11604.17 102608.10 16474.03 131102.00 16348.25  490.454   41.766  557.959   36.282 -67.50531 55.32442 
1 1 1  -41   11    8 o  419.302   30.287 73552.32 10242.22   0.0000   0.0000 73552.32 10242.22  ?   ?   419.302   30.287 0.000000 30.28733 
1 1 1  -41   11    9 o  123.964   7.4120  6271.67  742.629  6273.11  1498.67  6271.19  854.979  122.922   15.350  123.851   8.5543 -0.9294662 17.57272 
1 1 1  -41   11   10 o  310.734   13.437 39448.73  3390.21 37300.07  6029.58 40442.03  4099.61  298.842   25.081  313.780   16.146 -14.93774 29.82833 
1 1 1  -41   11   11 o  422.867   16.997 73439.38  5836.15 76873.77 10260.23 71796.69  7095.90  426.667   29.803  416.332   21.059 10.33490 36.49302 
1 1 1  -41   11   12 o  719.775   29.096 218596.09 17004.60 225249.09 29599.79 215318.80 20774.91  700.268   52.439  706.151   36.356 -5.882507 63.80894 
1 1 1  -41   11   13 o  399.230   16.341 65644.99  5297.26 66883.85  9328.20 65055.32  6435.63  395.890   29.226  395.510   20.106 0.3793335 35.47397 
1 1 1  -41   11   14 o  302.077   13.021 37465.60  3193.80 38424.82  5727.27 37032.70  3847.59  301.273   23.601  299.106   15.900 2.167297 28.45735 
1 1 1  -41   11   15 o  211.644   10.199 18354.16  1752.59 19625.87  3291.23 17850.83  2070.57  215.669   18.988  207.934   12.319 7.734909 22.63411 
1 1 1  -41   11   16 o  107.592   9.2057  4784.13  796.478  5007.80  1727.93  4723.78  897.511  106.604   20.709  106.625   10.503 -0.2154541E-01 23.22013 
1 1 1  -41   11   17 o  152.454   9.4500  9618.52  1164.03  7047.77  2256.35 10550.84  1358.81  124.517   23.170  159.330   10.563 -34.81286 25.46420 
1 1 1  -41   11   18 o  159.285   9.7947 10559.79  1260.66 11038.42  2492.28 10395.22  1461.40  157.064   19.996  157.299   11.522 -0.2353668 23.07831 
1 1 1  -41   11   19 o   51.218   14.257  1161.73  614.680 -1218.6750  1526.12  1622.68  671.562   39.724   18.647   60.454   13.963 -20.72938 23.29526 
1 1 1  -41   11   20 o  118.502   10.554  5969.87  1004.86  4426.19  2016.28  6479.98  1159.06   91.996   25.896  122.842   11.764 -30.84648 28.44319 
1 1 1  -41   11   21 o   79.907   12.777  2839.38  801.093  2761.32  2056.44  2853.34  869.804   71.369   26.553   79.448   13.995 -8.078522 30.01484 
1 1 1  -41   11   22 o   53.359   15.371  1363.76  702.256 -1354.1700  2043.04  1727.91  747.823   42.944   20.563   60.039   15.297 -17.09465 25.62834 
1 1 1  -41   11   23 o   47.889   16.484  1146.89  776.070  2591.19  2342.29  968.783  822.530   61.218   26.270   45.154   16.794 16.06314 31.17982 
1 1 1  -41   11   24 o   18.497   9.3379 -1903.1770  666.568   0.0000   0.0000 -1903.1770  666.568  ?   ?    18.497   9.3379 0.000000 9.337860 
1 1 1  -41   13    2 o  132.453   12.902  7214.26  1369.98   0.0000   0.0000  7214.26  1369.98  ?   ?   132.453   12.902 0.000000 12.90222 
1 1 1  -41   13    3 o  458.392   20.675 86094.43  7695.32 79884.57 13448.83 89117.25  9383.17  435.155   38.459  464.759   24.956 -29.60446 45.84636 
1 1 1  -41   13    4 o  250.960   14.037 25762.67  2848.79 26381.99  4218.04 25243.23  3862.93  252.866   20.726  247.566   19.372 5.299942 28.36941 
1 1 1  -41   13    5 o   74.568   9.0883  2295.32  538.883  2669.19  886.453  2076.18  678.688   79.709   14.218   70.365   12.328 9.343925 18.81849 
1 1 1  -41   13    6 o  364.797   18.916 54669.16  5583.70 53898.72  8017.92 55394.65  7780.52  359.822   27.655  365.201   26.417 -5.379089 38.24444 
1 1 1  -41   13    7 o  240.958   13.977 23779.66  2722.82 19944.52  3963.23 27208.01  3747.15  218.958   22.618  257.083   18.066 -38.12416 28.94726 
1 1 1  -41   13    8 o  450.834   22.871 84060.41  8344.95 83351.09 11905.25 84745.54 11700.50  444.442   33.231  448.609   32.338 -4.167511 46.36867 
1 1 1  -41   13    9 o  139.958   8.7219  8004.20  986.240  5066.55  1951.39  9011.99  1142.96  108.774   22.822  148.453   9.5325 -39.67908 24.73318 
1 1 1  -41   13   10 o  356.057   14.542 51895.39  4204.19 56956.52  7515.50 49590.25  5072.03  369.191   25.222  346.833   18.073 22.35764 31.02853 
1 1 1  -41   13   11 o  133.206   9.3718  7267.35  1007.19  9717.43  1772.11  6098.24  1224.13  153.345   14.401  121.492   12.592 31.85301 19.12989 
1 1 1  -41   13   12 o  166.315   9.1020 11311.07  1224.49  9568.04  2419.86 11911.00  1419.67  150.658   20.298  170.513   10.302 -19.85442 22.76297 
1 1 1  -41   13   13 o  103.459   8.2320  4391.03  685.812  7047.29  1619.01  3810.17  757.092  129.872   15.670   96.095   9.8419 33.77677 18.50413 
1 1 1  -41   13   14 o   30.409   11.572  265.722  395.511  547.526  1307.76  237.352  414.943   51.086   20.557   30.316   11.771 20.76962 23.68858 
1 1 1  -41   13   15 o  128.268   9.0281  6772.51  934.275  4053.58  2056.81  7479.35  1048.71   94.803   25.959  134.698   9.6526 -39.89465 27.69516 
1 1 1  -41   13   16 o  224.254   11.176 20809.42  2035.06 18014.16  3880.28 21870.02  2390.16  200.660   24.312  228.841   12.916 -28.18114 27.52997 
1 1 1  -41   13   17 o   25.230   11.302 -195.8972  477.677 -82.2294  1443.36 -209.8781  506.201   46.309   20.242   25.925   11.623 20.38355 23.34112 
1 1 1  -41   13   18 o   41.775   14.573  684.336  607.521  2891.61  1596.30  310.481  656.959   78.060   23.363   36.362   14.592 41.69884 27.54554 
1 1 1  -41   13   19 o   36.865   13.588  486.087  536.112  1458.42  1678.48  375.621  565.746   60.823   23.658   35.421   13.747 25.40274 27.36224 
1 1 1  -41   13   20 o   59.058   14.516  1590.02  691.185  2415.56  2031.41  1481.94  735.041   69.612   26.290   56.757   15.509 12.85478 30.52361 
1 1 1  -41   13   21 o  128.645   11.010  7178.27  1138.99  7885.65  2801.32  7038.17  1246.69  113.378   29.974  126.389   12.304 -13.01115 32.40081 
1 1 1  -41   13   22 o   61.465   16.850  1895.91  866.055  1140.33  2480.96  2000.76  924.194   56.085   25.384   62.731   17.488 -6.645550 30.82519 
1 1 1  -41   13   23 o   30.787   14.140 -234.8141  807.046  2738.48  2108.63 -745.1136  873.561   60.487   25.395   28.425   13.565 32.06213 28.79101 
1 1 1  -41   13   24 o   53.197   18.246  1773.95  950.420   0.0000   0.0000  1773.95  950.420  ?   ?    53.197   18.246 0.000000 18.24573 
1 1 1  -41   15    1 f  249.165   14.450 25408.73  2910.82   0.0000   0.0000 25408.73  2910.82  ?   ?   249.165   14.450 0.000000 14.44973 
1 1 1  -41   15    2 o  115.430   10.849  5471.86  1004.93   0.0000   0.0000  5471.86  1004.93  ?   ?   115.430   10.849 0.000000 10.84935 
1 1 1  -41   15    3 o  361.064   15.871 53251.38  4652.96 54928.35  8242.10 52466.92  5637.16  363.311   28.160  357.324   19.503 5.987457 34.25401 
1 1 1  -41   15    4 o  205.400   11.792 17245.15  1958.40 22523.73  3044.71 13520.15  2557.70  234.222   16.108  180.933   17.634 53.28859 23.88319 
1 1 1  -41   15    5 o  116.418   10.995  5569.12  1027.02  1569.17  1644.00  8129.27  1315.24   66.782   23.910  140.773   11.610 -73.99148 26.57964 
1 1 1  -41   15    6 o  166.922   11.232 11404.46  1513.46 11997.84  2340.85 10978.26  1983.89  170.336   17.159  163.209   15.143 7.127548 22.88511 
1 1 1  -41   15    7 o  261.258   20.224 28233.44  4256.70   0.0000   0.0000 28233.44  4256.70  ?   ?   261.258   20.224 0.000000 20.22370 
1 1 1  -41   15    8 o  345.457   18.162 49143.27  5076.46 50126.66  7349.57 48246.05  7020.16  346.250   26.339  339.923   25.623 6.327057 36.74640 
1 1 1  -41   15    9 o  617.039   30.530 160232.91 15296.03 169167.00 21792.75 151557.91 21474.48  621.687   43.445  586.311   45.464 35.37604 62.88425 
1 1 1  -41   15   10 o  183.210   10.122 13730.20  1499.86  9585.84  2930.71 15200.84  1745.81  149.758   24.982  192.643   11.210 -42.88481 27.38130 
1 1 1  -41   15   11 o  326.216   17.396 43982.99  4591.05 42982.78  6810.20 44816.23  6215.87  318.765   26.553  326.910   23.575 -8.145142 35.50895 
1 1 1  -41   15   12 o  310.961   12.777 39641.66  3226.00 43281.13  5914.28 38100.21  3849.00  320.786   22.856  303.732   15.660 17.05441 27.70621 
1 1 1  -41   15   13 o  228.499   10.522 21374.60  1952.26 22499.14  3749.57 20956.37  2286.66  231.079   20.187  225.524   12.537 5.554611 23.76289 
1 1 1  -41   15   14 o  299.572   12.901 37057.34  3138.19 38665.74  5795.40 36390.08  3732.81  299.041   24.072  295.328   15.622 3.713531 28.69671 
1 1 1  -41   15   15 o   57.030   12.133  1396.73  544.559  714.744  1550.93  1492.63  581.588   55.228   22.329   58.917   12.542 -3.689243 25.61060 
1 1 1  -41   15   16 f  153.568   9.8765  9783.63  1224.99  6223.93  2665.07 10737.16  1379.33  113.391   28.870  160.637   10.635 -47.24639 30.76679 
1 1 1  -41   15   17 o  152.829   9.8251  9729.56  1212.75  9063.34  2544.88  9925.32  1379.46  139.805   23.234  153.824   11.119 -14.01868 25.75772 
1 1 1  -41   15   18 o  206.001   11.219 17894.72  1869.54 19018.38  3810.87 17538.57  2145.46  199.940   23.951  202.566   13.114 -2.625900 27.30606 
1 1 1  -41   15   19 o  124.272   10.888  6577.42  1087.53  4903.54  2689.26  6904.68  1189.10   92.820   30.683  126.913   11.670 -34.09288 32.82740 
1 1 1  -41   15   20 o  105.454   11.156  4811.56  940.766  4471.78  2634.70  4861.21  1007.16   85.408   30.301  105.524   11.966 -20.11611 32.57861 
1 1 1  -41   15   21 o  150.678   11.426  9964.58  1387.51  8702.58  3464.53 10205.66  1514.24  106.189   34.813  151.484   12.420 -45.29533 36.96203 
1 1 1  -41   15   22 o   56.029   18.913  1686.84  1020.99  1639.77  2383.78  1697.42  1129.87   56.384   25.253   55.785   19.838 0.5992012 32.11341 
1 1 1  -41   15   23 o   48.334   18.629  1325.70  1033.31  265.365  3136.55  1454.79  1094.41   48.082   23.579   49.813   19.179 -1.731361 30.39425 
1 1 1  -41   17    1 o  316.477   17.787 41126.89  4552.15   0.0000   0.0000 41126.89  4552.15  ?   ?   316.477   17.787 0.000000 17.78690 
1 1 1  -41   17    2 o  123.028   11.426  6219.14  1128.38   0.0000   0.0000  6219.14  1128.38  ?   ?   123.028   11.426 0.000000 11.42618 
1 1 1  -41   17    3 o  160.817   11.132 10585.92  1444.61  6583.03  2737.65 12130.65  1700.66  123.628   27.931  172.065   12.253 -48.43727 30.50023 
1 1 1  -41   17    4 o  580.536   24.497 139247.91 11547.27 133245.00 20180.67 142170.00 14080.01  554.915   45.181  583.458   29.820 -28.54266 54.13482 
1 1 1  -41   17    5 o  715.773   37.262 217568.50 21581.50 207123.50 30863.99 227561.70 30188.89  679.424   56.458  717.205   52.198 -37.78162 76.89046 
1 1 1  -41   17    6 f  349.054   18.679 50185.73  5274.69 50608.37  7760.46 49822.83  7191.10  347.556   27.730  345.544   25.817 2.012238 37.88769 
1 1 1  -41   17    7 o  320.705   18.398 42410.17  4770.92 36068.92  7025.08 47838.40  6499.69  291.854   30.076  338.980   23.765 -47.12549 38.33155 
1 1 1  -41   17    8 o  190.253   12.779 14857.79  1962.66 13846.51  3069.04 15557.55  2552.93  181.870   21.179  194.039   16.356 -12.16869 26.75983 
1 1 1  -41   17    9 o  254.145   14.565 26558.15  2992.99 29277.20  4512.91 24423.12  3998.99  265.083   21.143  242.155   20.532 22.92804 29.47170 
1 1 1  -41   17   10 f  125.475   11.866  6494.01  1194.57  6854.40  2014.73  6298.62  1483.45  127.149   20.190  122.935   15.184 4.213806 25.26221 
1 1 1  -41   17   11 o  355.885   14.045 52034.02  4058.66 57395.07  7449.42 49770.87  4840.10  368.299   25.060  347.046   17.176 21.25323 30.38108 
1 1 1  -41   17   12 o  231.037   10.438 21849.13  1958.02 22759.80  3852.32 21531.93  2273.59  232.230   20.645  228.674   12.290 3.556015 24.02640 
1 1 1  -41   17   13 f  244.653   11.371 24616.56  2258.75 23149.93  4370.23 25151.16  2638.49  231.401   23.589  246.398   13.237 -14.99736 27.04930 
1 1 1  -41   17   14 o  221.288   12.031 20324.54  2153.61 12388.57  4225.72 23109.05  2503.08  160.911   33.435  235.513   13.142 -74.60129 35.92465 
1 1 1  -41   17   15 f   81.295   9.5711  2761.41  619.676  2269.65  1844.05  2824.01  657.936   72.805   25.390   82.098   10.082 -9.293068 27.31795 
1 1 1  -41   17   16 o  193.826   10.848 15683.31  1700.44 11971.60  3572.61 16770.45  1933.49  156.601   29.170  199.860   11.970 -43.25867 31.53020 
1 1 1  -41   17   17 o  153.098   9.9483  9803.48  1229.96  9470.81  2862.16  9878.83  1362.15  139.232   26.281  153.179   11.026 -13.94716 28.49982 
1 1 1  -41   17   18 o   68.875   13.205  2093.17  711.630  2757.62  2137.43  2010.33  754.686   74.756   27.196   67.053   14.298 7.703094 30.72510 
1 1 1  -41   17   19 o  122.249   10.691  6392.25  1050.50  5382.41  2545.52  6599.54  1153.29   96.241   29.649  123.667   11.622 -27.42658 31.84534 
1 1 1  -41   17   20 f   73.249   14.781  2488.91  848.769  5654.92  2621.00  2118.00  897.111   93.647   30.253   66.380   16.668 27.26706 34.54062 
1 1 1  -41   17   21 o   90.652   18.892  4227.53  1345.46  2167.65  3054.53  4723.40  1498.68   62.195   28.156   94.608   20.128 -32.41271 34.61080 
1 1 1  -41   17   22 o   34.885   15.841 -54.5951  975.942 -2421.6750  2924.96  241.942  1035.27   43.110   21.434   38.064   16.870 5.046204 27.27671 
1 1 1  -41   17   23 o   36.223   16.578  174.878  1096.05   0.0000   0.0000  174.878  1096.05  ?   ?    36.223   16.578 0.000000 16.57848 
1 1 1  -41   19    1 f  327.550   18.709 44167.55  4955.09   0.0000   0.0000 44167.55  4955.09  ?   ?   327.550   18.709 0.000000 18.70857 
1 1 1  -41   19    2 o  504.856   26.252 106006.00 10724.29   0.0000   0.0000 106006.00 10724.29  ?   ?   504.856   26.252 0.000000 26.25208 
1 1 1  -41   19    3 o  310.705   14.783 39475.07  3729.47 36195.16  6840.23 40862.54  4448.90  293.196   29.118  315.207   17.451 -22.01151 33.94653 
1 1 1  -41   19    4 o   65.882   11.487  1821.13  592.120  1294.00  1280.98  1964.36  667.737   59.851   21.140   68.321   12.497 -8.469837 24.55767 
1 1 1  -41   19    5 o   63.293   12.697  1693.86  629.833  2580.13  1341.18  1443.10  713.390   77.763   20.825   58.285   14.990 19.47801 25.65847 
1 1 1  -41   19    6 o  407.401   30.208 70159.05  9921.51   0.0000   0.0000 70159.05  9921.51  ?   ?   407.401   30.208 0.000000 30.20798 
1 1 1  -41   19    7 o  129.516   11.550  6902.71  1201.90  8036.10  2158.13  6393.14  1447.08  138.199   19.798  124.078   14.646 14.12010 24.62649 
1 1 1  -41   19    8 o   96.196   12.417  3845.78  947.235  2952.00  1805.57  4185.19  1112.64   83.413   24.821  100.108   14.077 -16.69518 28.53474 
1 1 1  -41   19    9 o  413.695   21.841 71463.77  7310.44 73533.25 10709.63 69658.19 10003.49  413.079   32.184  402.964   30.807 10.11533 44.55223 
1 1 1  -41   19   10 o  220.307   23.198 20585.23  4087.34 20585.23  4087.34   0.0000   0.0000  220.307   23.198  ?   ?  0.000000 23.19802 
1 1 1  -41   19   11 o  130.732   8.0342  7000.44  848.696  8426.67  2226.45  6757.97  918.008  140.539   20.082  128.315   8.8655 12.22441 21.95175 
1 1 1  -41   19   12 o  151.479   8.6454  9418.38  1058.94  9365.97  2546.02  9429.34  1164.44  146.828   22.036  151.392   9.5212 -4.563965 24.00492 
1 1 1  -41   19   13 o  155.267   8.8116  9921.41  1106.31  9631.41  2629.08  9983.81  1219.54  147.618   22.658  155.534   9.7053 -7.916000 24.64940 
1 1 1  -41   19   14 o  200.762   10.819 16735.85  1757.08 14711.47  3725.03 17315.16  1992.70  178.727   26.469  203.650   12.105 -24.92368 29.10570 
1 1 1  -41   19   15 o  200.227   10.929 16727.18  1770.10 12006.08  3782.52 18050.98  2002.95  155.511   31.043  207.486   11.939 -51.97520 33.26005 
1 1 1  -41   19   16 f  109.780   9.3338  5034.54  824.099  4529.10  2314.18  5107.95  881.914   94.748   28.079  110.374   9.9474 -15.62640 29.78854 
1 1 1  -41   19   17 o   98.748   11.151  4156.79  878.410 -748.4548  2469.70  4867.20  939.868   53.647   24.675  107.017   10.971 -53.37022 27.00441 
1 1 1  -41   19   18 o   48.863   14.185  1071.49  595.977 -1206.6500  2267.10  1240.61  617.703   48.408   22.724   52.379   14.177 -3.971413 26.78435 
1 1 1  -41   19   19 o   37.907   14.625  493.287  637.391 -2139.0840  2384.00  695.942  661.472   44.908   21.684   41.551   15.127 3.357212 26.43872 
1 1 1  -41   19   20 o   92.335   19.409  4353.19  1408.98  3653.77  3139.35  4529.61  1576.70   71.616   30.564   92.025   21.491 -20.40868 37.36338 
1 1 1  -41   19   21 o   46.164   18.887  933.780  1125.36 -1518.0460  3065.91  1315.55  1209.80   47.187   23.175   50.626   19.969 -3.438725 30.59085 
1 1 1  -41   19   22 o   76.296   22.270  3902.77  1465.39  5295.07  3757.78  3653.07  1591.38   60.572   28.685   70.473   23.613 -9.901394 37.15359 
1 1 1  -41   21    1 o  334.835   19.313 46289.34  5228.55   0.0000   0.0000 46289.34  5228.55  ?   ?   334.835   19.313 0.000000 19.31343 
1 1 1  -41   21    2 o  664.869   34.499 187981.41 18560.17   0.0000   0.0000 187981.41 18560.17  ?   ?   664.869   34.499 0.000000 34.49868 
1 1 1  -41   21    3 o  149.952   12.043  9238.96  1453.97 10625.99  3069.63  8837.76  1650.91  158.145   24.714  146.315   14.070 11.83012 28.43822 
1 1 1  -41   21    4 o  353.204   17.892 51444.21  5114.57 48748.67  9280.14 52620.16  6129.51  336.880   34.410  356.091   21.297 -19.21100 40.46727 
1 1 1  -41   21    5 o  179.204   13.958 13227.33  2014.96   0.0000   0.0000 13227.33  2014.96  ?   ?   179.204   13.958 0.000000 13.95782 
1 1 1  -41   21    6 o  173.263   13.478 12366.09  1881.15 12035.61  3283.30 12527.59  2295.23  168.077   24.804  173.789   16.462 -5.712173 29.76929 
1 1 1  -41   21    7 o  341.045   20.030 48388.10  5522.44 43591.79  8345.82 52123.84  7365.52  317.238   32.877  351.156   26.018 -33.91730 41.92649 
1 1 1  -41   21    8 o  365.535   20.818 55852.88  6153.18 52503.84  9213.48 58549.25  8267.08  346.880   33.114  370.252   27.700 -23.37213 43.17194 
1 1 1  -41   21    9 o  179.976   23.489 13879.61  3350.72 13879.61  3350.72   0.0000   0.0000  179.976   23.489  ?   ?  0.000000 23.48911 
1 1 1  -41   21   10 o  279.691   16.898 32692.68  3819.44 32814.76  5888.17 32604.00  5018.47  274.452   26.763  276.264   22.569 -1.812592 35.00917 
1 1 1  -41   21   11 o  303.120   17.970 38803.81  4403.11 39749.84  6741.15 38099.90  5814.90  298.675   28.128  295.568   24.449 3.107056 37.26871 
1 1 1  -41   21   12 o  164.419   9.8186 11164.46  1304.83  9516.71  3313.95 11466.78  1419.49  142.469   29.614  166.419   10.560 -23.95015 31.44009 
1 1 1  -41   21   13 o  162.915   9.6126 10984.47  1265.94 10741.66  3284.80 11026.82  1371.91  151.287   27.764  162.960   10.423 -11.67319 29.65563 
1 1 1  -41   21   14 o   29.062   11.901  136.525  447.320  843.330  1934.13   96.583  459.786   59.501   24.597   28.743   11.946 30.75797 27.34490 
1 1 1  -41   21   15 o  262.638   13.218 29293.80  2809.82 22754.35  5832.89 31269.85  3206.36  204.567   36.453  269.996   14.681 -65.42876 39.29810 
1 1 1  -41   21   16 o  157.027   10.275 10369.20  1302.81 13221.73  3483.88  9905.44  1404.73  162.097   27.450  152.854   11.400 9.242142 29.72272 
1 1 1  -41   21   17 o  113.233   10.007  5434.56  910.572  7944.67  3084.86  5194.99  953.036  117.396   31.644  110.324   10.777 7.071884 33.42904 
1 1 1  -41   21   18 o   24.825   11.461 -362.3437  539.847 -675.9849  2205.20 -342.3487  556.789   49.093   22.837   25.488   11.721 23.60522 25.66870 
1 1 1  -41   21   19 o   62.337   19.517  1991.66  1098.03  1097.49  3136.58  2116.55  1172.20   60.438   27.802   63.814   20.192 -3.376343 34.36067 
1 1 1  -41   21   20 o   54.088   20.370  1556.19  1217.50 -532.9646  2810.02  2039.01  1350.88   49.527   23.819   59.637   21.632 -10.10999 32.17578 
1 1 1  -41   21   21 o   32.105   14.962 -334.9076  953.756  1257.98  3554.44 -458.4935  990.064   52.150   25.473   31.835   14.968 20.31467 29.54539 
1 1 1  -41   23    1 o   85.381   17.072  3103.21  1142.20   0.0000   0.0000  3103.21  1142.20  ?   ?    85.381   17.072 0.000000 17.07230 
1 1 1  -41   23    2 o  162.908   14.833 10975.53  1940.56   0.0000   0.0000 10975.53  1940.56  ?   ?   162.908   14.833 0.000000 14.83305 
1 1 1  -41   23    3 o  261.331   17.949 28302.30  3785.58   0.0000   0.0000 28302.30  3785.58  ?   ?   261.331   17.949 0.000000 17.94914 
1 1 1  -41   23    4 o   51.037   15.175  1084.67  675.126  646.533  1931.74  1145.64  720.565   60.751   24.788   52.479   15.695 8.272015 29.33845 
1 1 1  -41   23    5 o  159.815   13.022 10539.58  1675.05 12099.64  3450.21 10058.48  1916.00  167.529   26.224  155.603   15.366 11.92618 30.39419 
1 1 1  -41   23    6 o  171.149   12.726 12082.50  1755.88 12805.68  3486.14 11836.67  2032.52  172.269   25.710  168.877   14.978 3.392273 29.75480 
1 1 1  -41   23    7 o  196.985   14.805 16100.89  2350.72 16402.33  4148.61 15958.33  2852.91  194.138   27.053  195.033   18.227 -0.8942719 32.62033 
1 1 1  -41   23    8 o   96.346   27.205  4139.93  2221.59  4139.93  2221.59   0.0000   0.0000   96.346   27.205  ?   ?  0.000000 27.20457 
1 1 1  -41   23    9 o  237.725   16.792 23750.29  3220.47 18924.94  5196.16 26759.91  4103.68  202.810   32.663  250.460   20.355 -47.64999 38.48661 
1 1 1  -41   23   10 f  208.216   15.788 18265.55  2649.30 14600.17  4413.98 20329.54  3312.26  176.471   31.982  218.056   18.894 -41.58487 37.14664 
1 1 1  -41   23   11 o  181.502   15.388 13952.73  2246.42 10795.47  3974.10 15435.26  2723.23  148.290   33.762  189.613   17.900 -41.32321 38.21390 
1 1 1  -41   23   12 o   89.705   8.7788  3343.00  631.230  991.734  2400.58  3517.64  654.254   65.554   27.276   92.019   8.8662 -26.46571 28.68086 
1 1 1  -41   23   13 o   64.930   9.5848  1780.44  490.132  3113.72  2400.20  1722.43  500.683   81.856   28.934   63.736   10.004 18.11985 30.61497 
1 1 1  -41   23   14 o  162.166   10.070 10990.37  1319.44 12680.66  3876.93 10768.94  1403.21  156.677   31.566  160.149   10.855 -3.472137 33.38041 
1 1 1  -41   23   15 o   59.184   11.573  1525.15  536.234  244.885  2923.33  1569.72  545.490   62.526   27.988   60.053   11.607 2.473469 30.29925 
1 1 1  -41   23   16 o   58.323   12.762  1513.01  587.570  163.782  3109.36  1562.97  598.350   61.863   28.163   59.284   12.805 2.578941 30.93707 
1 1 1  -41   23   17 o   89.379   11.287  3472.40  800.892 10013.62  3561.22  3123.94  821.947  124.655   34.168   84.153   12.401 40.50200 36.34844 
1 1 1  -41   23   18 o   47.873   19.651  805.341  1223.29  734.886  3542.85  814.878  1303.45   61.023   28.570   48.649   20.159 12.37410 34.96595 
1 1 1  -41   23   19 f   97.526   21.155  5205.64  1627.00  7571.87  3745.56  4655.33  1806.31   85.967   34.721   87.375   24.481 -1.408501 42.48345 
1 1 1  -41   23   20 o   34.912   15.990 -112.0317  1022.12  977.283  4207.74 -180.3402  1053.68   53.459   26.425   34.844   16.060 18.61508 30.92243 
1 1 1  -41   23   21 o   36.655   17.140   14.502  1268.19 -1095.7660  3826.84  151.476  1344.15   44.192   22.317   38.049   17.743 6.142956 28.51080 
1 1 1  -41   25    1 o  318.821   20.204 42599.39  5203.19   0.0000   0.0000 42599.39  5203.19  ?   ?   318.821   20.204 0.000000 20.20390 
1 1 1  -41   25    2 o  195.357   16.566 15905.79  2602.95   0.0000   0.0000 15905.79  2602.95  ?   ?   195.357   16.566 0.000000 16.56569 
1 1 1  -41   25    3 o  233.937   17.242 22832.44  3252.03   0.0000   0.0000 22832.44  3252.03  ?   ?   233.937   17.242 0.000000 17.24207 
1 1 1  -41   25    4 o   68.592   17.034  2030.75  944.386  3276.05  2763.28  1866.06  1004.89   89.444   31.086   65.884   18.188 23.55934 36.01597 
1 1 1  -41   25    5 o  184.914   14.713 14235.81  2190.85 11586.26  4584.64 15019.92  2494.05  157.077   36.621  189.418   16.377 -32.34070 40.11642 
1 1 1  -41   25    6 o  116.989   14.610  5757.56  1357.56  3588.62  3216.56  6227.65  1497.46   93.134   33.434  121.472   15.539 -28.33720 36.86820 
1 1 1  -41   25    7 f  201.782   30.770 18588.75  4881.89 18588.75  4881.89   0.0000   0.0000  201.782   30.770  ?   ?  0.000000 30.77043 
1 1 1  -41   25    8 o  303.928   20.013 39608.17  4911.15 36908.73  7990.17 41247.23  6226.10  277.340   36.357  305.385   25.338 -28.04517 44.31559 
1 1 1  -41   25    9 o  103.445   16.070  4604.86  1305.99  3748.39  2969.36  4810.27  1454.20   91.269   32.191  105.194   17.651 -13.92503 36.71248 
1 1 1  -41   25   10 o   76.296   17.084  2569.49  1031.98  4849.34  2639.12  2157.97  1121.26  100.269   30.047   69.598   19.211 30.67089 35.66377 
1 1 1  -41   25   11 o  134.646   14.755  7753.52  1586.71 11352.66  3332.26  6698.19  1804.40  154.691   27.539  123.227   18.614 31.46355 33.23994 
1 1 1  -41   25   12 o  120.735   9.0004  6058.55  875.995  4769.95  3490.96  6145.14  904.949   95.998   34.781  121.524   9.2404 -25.52551 35.98765 
1 1 1  -41   25   13 o  138.436   9.9777  8023.62  1114.03  7490.10  3950.77  8069.71  1161.15  113.028   37.181  138.660   10.389 -25.63121 38.60555 
1 1 1  -41   25   14 o  130.718   9.7191  7177.45  1024.20  4472.17  3631.51  7411.22  1067.53   89.230   34.774  132.721   9.9791 -43.49167 36.17714 
1 1 1  -41   25   15 o   78.099   10.314  2613.17  638.043  3279.53  3195.72  2585.50  651.153   78.540   31.945   77.561   10.618 0.9791794 33.66387 
1 1 1  -41   25   16 o  138.465   10.433  8207.28  1164.35  7822.13  4445.73  8235.64  1206.47   98.285   38.427  138.440   10.819 -40.15522 39.92090 
1 1 1  -41   25   17 o   22.197   11.226 -3077.3391  989.114  2684.32  3767.36 -3503.9041  1025.07   68.797   31.196   21.792   11.065 47.00554 33.10013 
1 1 1  -41   25   18 o   30.683   14.764 -1128.7870  1082.45 -3938.1111  4301.46 -938.8533  1118.45   50.003   25.034   32.272   15.387 17.73067 29.38507 
1 1 1  -41   25   19 o   50.148   19.502  1378.58  1140.32 -6903.6768  4953.45  1842.06  1171.79   45.411   23.174   55.788   20.160 -10.37731 30.71640 
1 1 1  -41   25   20 o   29.073   14.331 -1515.7720  1208.56 -2814.8870  5268.53 -1443.6150  1241.67   45.419   23.237   29.770   14.646 15.64953 27.46727 
1 1 1  -41   27    1 o  130.854   17.414  7287.71  1804.32   0.0000   0.0000  7287.71  1804.32  ?   ?   130.854   17.414 0.000000 17.41435 
1 1 1  -41   27    2 o  168.552   17.714 12044.91  2388.07   0.0000   0.0000 12044.91  2388.07  ?   ?   168.552   17.714 0.000000 17.71415 
1 1 1  -41   27    3 o  189.656   17.620 15234.43  2682.32   0.0000   0.0000 15234.43  2682.32  ?   ?   189.656   17.620 0.000000 17.61973 
1 1 1  -41   27    4 o   53.123   18.703  1073.02  1001.85   0.0000   0.0000  1073.02  1001.85  ?   ?    53.123   18.703 0.000000 18.70254 
1 1 1  -41   27    5 o  101.464   16.395  4422.89  1304.65  4753.94  3442.74  4367.38  1409.80  101.423   34.727  100.289   17.973 1.134567 39.10243 
1 1 1  -41   27    6 o  164.928   29.325 12621.86  3783.17  9715.33  5058.21 16312.03  5699.44  135.962   41.779  178.712   40.245 -42.74994 58.01044 
1 1 1  -41   27    7 o  129.591   15.795  7172.44  1627.63  4457.27  4104.04  7679.20  1773.02   99.055   37.378  133.780   16.685 -34.72456 40.93306 
1 1 1  -41   27    8 o   55.010   18.955  1220.20  1026.27  1282.33  2903.94  1211.34  1097.07   71.925   29.969   55.466   19.566 16.45925 35.79125 
1 1 1  -41   27    9 o  105.055   16.921  4824.93  1394.34  2596.75  3465.94  5255.18  1523.02   82.819   33.417  109.353   17.762 -26.53421 37.84433 
1 1 1  -41   27   10 o  132.611   16.724  7668.02  1760.67  7791.64  3901.93  7636.42  1972.95  119.228   36.704  131.010   19.109 -11.78167 41.38084 
1 1 1  -41   27   11 o   80.512   18.878  2962.16  1212.70  1971.73  3515.00  3095.98  1292.03   76.999   32.581   82.024   19.657 -5.024590 38.05153 
1 1 1  -41   27   12 o   75.363   19.530  2646.68  1204.88 -603.0801  3620.75  3051.36  1277.70   64.585   29.769   80.915   19.645 -16.33059 35.66671 
1 1 1  -41   27   13 o   77.271   9.3412  2526.99  574.183 -5173.4971  4002.44  2688.80  580.185   53.520   26.324   79.813   9.1163 -26.29264 27.85741 
1 1 1  -41   27   14 o  124.862   9.2910  6576.49  935.214  4260.02  4166.55  6699.39  959.702   83.564   35.422  125.946   9.4535 -42.38215 36.66191 
1 1 1  -41   27   15 o   69.815   10.807  2128.35  592.849  4824.05  3917.53  2065.17  599.757   82.527   34.629   68.601   11.150 13.92587 36.38018 
1 1 1  -41   27   16 o   39.434   17.206  162.766  1038.68 -1558.7410  3941.48  291.240  1076.74   55.663   27.109   41.129   17.733 14.53416 32.39348 
1 1 1  -41   27   17 o   61.806   21.633  2187.02  1339.33  4330.31  4579.36  1986.53  1400.57   67.651   31.924   59.172   21.933 8.478771 38.73275 
1 1 1  -41   27   18 o   60.959   22.087  2403.81  1407.86  2493.25  5009.47  2396.14  1466.99   56.849   28.229   60.414   22.436 -3.564449 36.05903 
1 1 1  -41   27   19 o   39.060   17.673  417.092  1201.61  799.088  5621.78  398.805  1230.03   48.888   24.926   39.131   17.775 9.757011 30.61440 
1 1 1  -41   29    1 o   95.754   21.364  4101.34  1618.84   0.0000   0.0000  4101.34  1618.84  ?   ?    95.754   21.364 0.000000 21.36393 
1 1 1  -41   29    2 o  112.413   20.596  5589.26  1810.62   0.0000   0.0000  5589.26  1810.62  ?   ?   112.413   20.596 0.000000 20.59587 
1 1 1  -41   29    3 o  116.796   19.898  6005.07  1819.37   0.0000   0.0000  6005.07  1819.37  ?   ?   116.796   19.898 0.000000 19.89807 
1 1 1  -41   29    4 o  228.898   39.251 26771.95  7032.47   0.0000   0.0000 26771.95  7032.47  ?   ?   228.898   39.251 0.000000 39.25073 
1 1 1  -41   29    5 o  157.346   16.334 10605.85  2056.38 15930.31  5501.24  9741.03  2217.10  173.669   39.857  149.559   18.663 24.11041 44.00990 
1 1 1  -41   29    6 o  130.686   16.822  7394.13  1743.57  9582.47  4806.61  7062.55  1871.01  131.393   40.786  126.758   18.744 4.634590 44.88649 
1 1 1  -41   29    7 o  153.421   18.051 10290.34  2205.61  9332.94  5592.19 10466.70  2400.19  124.852   44.162  153.745   19.678 -28.89365 48.34758 
1 1 1  -41   29    8 o   96.724   18.630  4198.17  1410.10  7313.60  4194.08  3801.12  1497.26  114.038   38.333   90.986   20.729 23.05160 43.57905 
1 1 1  -41   29    9 o  218.940   19.375 21370.94  3408.78 20772.57  6875.92 21565.93  3925.08  179.848   46.679  216.488   22.665 -36.63921 51.89059 
1 1 1  -41   29   10 o  128.018   18.397  7377.95  1857.35  7201.93  5192.53  7403.77  1988.94  105.838   41.488  127.226   19.906 -21.38831 46.01622 
1 1 1  -41   29   11 o   44.387   18.114  485.023  1031.81 -1166.9540  3844.90  613.223  1071.09   63.253   29.661   46.355   18.621 16.89799 35.02209 
1 1 1  -41   29   12 o   30.011   14.222 -942.4517  926.681  4540.30  3616.84 -1327.6541  958.682   86.962   34.455   28.499   13.758 58.46310 37.10016 
1 1 1  -41   29   13 o  103.784   9.3224  4567.65  777.210  3880.86  4459.23  4589.16  789.291   80.023   35.261  103.968   9.4530 -23.94514 36.50617 
1 1 1  -41   29   14 o   66.989   22.208  2351.31  1408.41 -2390.4470  4452.86  2878.42  1484.63   57.944   28.348   73.430   22.646 -15.48587 36.28281 
1 1 1  -41   29   15 o   42.703   18.795  247.174  1263.41  2689.96  4773.00   63.122  1310.14   67.240   31.983   41.857   18.736 25.38282 37.06722 
1 1 1  -41   29   16 o   50.250   21.155  1144.20  1469.76 -1680.8110  5200.60  1389.42  1532.22   54.826   27.461   52.591   21.829 2.234146 35.07994 
1 1 1  -41   29   17 f   36.763   17.444 -534.5315  1402.83 -1665.3311  5475.91 -455.1058  1451.26   50.849   25.793   37.659   17.832 13.19015 31.35664 
1 1 1  -41   31    1 o   86.184   32.377  3283.04  3072.06   0.0000   0.0000  3283.04  3072.06  ?   ?    86.184   32.377 0.000000 32.37675 
1 1 1  -41   31    2 o  108.009   23.067  5373.23  1961.53   0.0000   0.0000  5373.23  1961.53  ?   ?   108.009   23.067 0.000000 23.06745 
1 1 1  -41   31    3 o   68.120   22.866  2031.71  1492.30   0.0000   0.0000  2031.71  1492.30  ?   ?    68.120   22.866 0.000000 22.86585 
1 1 1  -41   31    4 o  105.795   22.567  5174.06  1879.43   0.0000   0.0000  5174.06  1879.43  ?   ?   105.795   22.567 0.000000 22.56712 
1 1 1  -41   31    5 o  171.879   20.392 13229.37  2790.34   0.0000   0.0000 13229.37  2790.34  ?   ?   171.879   20.392 0.000000 20.39153 
1 1 1  -41   31    6 o  132.759   20.361  7986.77  2124.81  4544.40  6424.53  8409.55  2251.51   97.611   42.684  135.781   21.108 -38.16988 47.61819 
1 1 1  -41   31    7 o  111.852   20.285  5741.95  1774.40 10431.76  5837.92  5264.60  1862.51  123.292   44.931  105.695   22.398 17.59706 50.20420 
1 1 1  -41   31    8 o   72.908   22.060  2522.64  1417.50 -1578.9950  5982.95  2766.57  1459.04   74.908   35.680   76.092   22.225 -1.183434 42.03608 
1 1 1  -41   31    9 o   74.269   22.291  2671.82  1451.71  2189.95  6036.96  2701.40  1495.59   82.984   38.316   74.543   22.683 8.441528 44.52702 
1 1 1  -41   31   10 o   52.124   20.357  995.714  1246.67  4828.43  5333.82  774.235  1282.19   88.044   38.687   50.111   20.288 37.93301 43.68369 
1 1 1  -41   31   11 o   88.985   23.744  4106.60  1747.36  1184.13  5482.94  4436.97  1843.48   73.563   34.781   92.115   24.297 -18.55238 42.42729 
1 1 1  -41   31   12 o   93.787   24.374  4753.16  1873.14  3339.60  6795.18  4869.40  1948.64   76.681   36.919   94.256   25.038 -17.57499 44.60854 
1 1 1  -41   31   13 o  111.279   22.942  6647.85  2004.02  1129.99  6496.08  7228.21  2106.77   67.828   33.395  115.839   23.208 -48.01069 40.66686 
1 1 1  -41   31   14 o   68.560   23.762  2839.47  1614.02  5375.30  6030.21  2643.78  1675.14   69.887   33.920   66.013   24.066 3.873978 41.59060 
1 1 1  -41   31   15 o   28.370   14.022 -1946.3510  1183.69 -194.5477  5548.37 -2029.8850  1211.58   55.498   27.876   28.506   14.107 26.99122 31.24234 
1 1 1  -41   31   16 o   68.527   25.569  3869.76  1909.67   74.232  6650.08  4210.88  1993.64   51.773   26.457   70.576   26.166 -18.80221 37.21062 
1 1 1  -41   33    1 o  144.642   24.820  9936.47  2809.98   0.0000   0.0000  9936.47  2809.98  ?   ?   144.642   24.820 0.000000 24.81983 
1 1 1  -41   33    2 o  110.304   26.370  5987.15  2329.74   0.0000   0.0000  5987.15  2329.74  ?   ?   110.304   26.370 0.000000 26.36977 
1 1 1  -41   33    3 o  117.332   25.660  6725.13  2376.55   0.0000   0.0000  6725.13  2376.55  ?   ?   117.332   25.660 0.000000 25.66016 
1 1 1  -41   33    4 o  107.610   25.500  5712.89  2193.93   0.0000   0.0000  5712.89  2193.93  ?   ?   107.610   25.500 0.000000 25.49962 
1 1 1  -41   33    5 o  123.195   23.900  7337.66  2304.48   0.0000   0.0000  7337.66  2304.48  ?   ?   123.195   23.900 0.000000 23.90012 
1 1 1  -41   33    6 o  179.700   21.989 15236.96  3141.52 14191.85  9586.79 15362.69  3325.11  114.955   51.123  178.782   23.473 -63.82677 56.25431 
1 1 1  -41   33    7 o   35.437   16.256 -546.3381  1062.25 -4346.0029  6555.23 -443.8718  1076.48   69.026   33.897   36.444   16.583 32.58142 37.73624 
1 1 1  -41   33    8 o  163.590   21.908 12962.02  2836.95 11311.96  8122.79 13191.26  3027.60  102.670   46.248  163.102   23.543 -60.43161 51.89587 
1 1 1  -41   33    9 o  138.242   22.522  9545.05  2440.96 14764.02  8045.50  9015.96  2561.70  107.530   47.373  131.656   24.875 -24.12652 53.50695 
1 1 1  -41   33   10 o   49.263   20.345  788.158  1321.33  1633.71  5899.27  743.498  1355.78   71.731   34.502   49.166   20.481 22.56486 40.12275 
1 1 1  -41   33   11 o   38.538   17.374 -149.3634  1149.25 -1120.6360  6077.83 -113.3481  1170.36   63.724   31.546   39.112   17.592 24.61222 36.11972 
1 1 1  -41   33   12 o   51.302   21.302  1124.37  1459.93  364.297  6600.46  1163.46  1497.01   62.958   31.444   51.837   21.552 11.12159 38.12118 
1 1 1  -41   33   13 o   62.015   23.909  2461.15  1702.49 -6213.1582  7432.87  2941.44  1748.99   54.057   27.651   66.567   24.542 -12.50990 36.97169 
1 1 1  -41   33   14 f   45.318   20.391  703.628  1574.04  9443.64  7513.87  302.481  1609.75   62.032   31.320   43.108   19.862 18.92388 37.08739 
1 1 1  -41   35    1 o  117.744   30.656  7665.55  2959.59   0.0000   0.0000  7665.55  2959.59  ?   ?   117.744   30.656 0.000000 30.65615 
1 1 1  -41   35    2 o   70.156   26.101  2355.23  1987.14   0.0000   0.0000  2355.23  1987.14  ?   ?    70.156   26.101 0.000000 26.10128 
1 1 1  -41   35    3 o  151.706   27.229 11957.56  3230.83   0.0000   0.0000 11957.56  3230.83  ?   ?   151.706   27.229 0.000000 27.22904 
1 1 1  -41   35    4 o   51.724   22.267  494.113  1692.77   0.0000   0.0000  494.113  1692.77  ?   ?    51.724   22.267 0.000000 22.26731 
1 1 1  -41   35    5 o  110.709   29.196  6936.22  2662.09   0.0000   0.0000  6936.22  2662.09  ?   ?   110.709   29.196 0.000000 29.19602 
1 1 1  -41   35    6 o   60.160   22.814  1668.51  1533.61   0.0000   0.0000  1668.51  1533.61  ?   ?    60.160   22.814 0.000000 22.81351 
1 1 1  -41   35    7 o  148.396   25.212 11765.15  2929.17 24673.46 11796.27 10916.93  3023.87  102.717   49.243  139.434   27.685 -36.71642 56.49225 
1 1 1  -41   35    8 o   70.079   25.557  2800.66  1889.26  7416.70 10250.17  2638.33  1922.19   78.439   39.177   68.407   25.628 10.03131 46.81501 
1 1 1  -41   35    9 o   86.981   27.552  4826.08  2182.07 -1573.6450 10454.84  5117.55  2231.20   67.014   34.151   89.444   27.792 -22.42989 44.03076 
1 1 1  -41   35   10 o   45.845   20.360  426.613  1515.65 10090.43 11187.00  245.910  1529.75   70.306   35.781   44.743   20.120 25.56304 41.05048 
1 1 1  -41   35   11 o   51.970   21.777  1367.91  1545.65 -2909.1260 10211.23  1468.20  1563.67   58.427   30.026   52.873   22.008 5.553780 37.22788 
1 1 1  -41   35   12 o   39.081   18.306 -225.6768  1457.73 12642.35 10863.69 -461.6165  1471.03   60.823   31.260   37.991   17.979 22.83251 36.06110 
1 1 1  -41   37    1 o   38.373   18.888 -3120.5371  2073.37   0.0000   0.0000 -3120.5371  2073.37  ?   ?    38.373   18.888 0.000000 18.88765 
1 1 1  -41   37    2 o   59.821   26.156  1246.42  2411.70   0.0000   0.0000  1246.42  2411.70  ?   ?    59.821   26.156 0.000000 26.15606 
1 1 1  -41   37    3 o   43.237   20.331 -909.9500  1827.68   0.0000   0.0000 -909.9500  1827.68  ?   ?    43.237   20.331 0.000000 20.33102 
1 1 1  -41   37    4 o   80.943   30.847  4538.75  2812.64   0.0000   0.0000  4538.75  2812.64  ?   ?    80.943   30.847 0.000000 30.84715 
1 1 1  -41   37    5 o   83.755   30.432  4951.77  2675.35   0.0000   0.0000  4951.77  2675.35  ?   ?    83.755   30.432 0.000000 30.43242 
1 1 1  -41   37    6 o   55.298   23.878  1279.33  1958.43   0.0000   0.0000  1279.33  1958.43  ?   ?    55.298   23.878 0.000000 23.87808 
1 1 1  -41   37    7 o   60.270   24.927  2110.71  1987.76   0.0000   0.0000  2110.71  1987.76  ?   ?    60.270   24.927 0.000000 24.92729 
1 1 1  -41   37    8 o   73.316   28.444  4236.80  2421.50 -1351.7350 15008.90  4386.16  2453.65   61.360   31.757   74.235   28.680 -12.87512 42.79036 
1 1 1  -41   37    9 o   50.345   22.427  1154.41  1852.78 -6705.0698 14266.53  1289.24  1868.61   56.543   29.317   51.246   22.690 5.297192 37.07195 
1 1 1  -40    0    1 o  493.388   35.901 100828.30 14207.55 100828.30 14207.55   0.0000   0.0000  493.388   35.901  493.388   35.901 0.000000 0.000000 
1 1 1  -40    0    4 o  157.649   13.095 10303.90  1649.65 10303.90  1649.65   0.0000   0.0000  157.649   13.095  157.649   13.095 0.000000 0.000000 
1 1 1  -40    0    5 o  462.257   32.582 88439.17 12089.52   0.0000   0.0000 88439.17 12089.52  462.257   32.582  462.257   32.582 -0.000000 0.000000 
1 1 1  -40    0    6 o  650.202   45.546 176020.30 23774.77   0.0000   0.0000 176020.30 23774.77  650.202   45.546  650.202   45.546 -0.000000 0.000000 
1 1 1  -40    0    8 o  354.897   25.815 52214.79  7348.55 52214.79  7348.55   0.0000   0.0000  354.897   25.815  354.897   25.815 0.000000 0.000000 
1 1 1  -40    0    9 o  149.378   8.9875  9163.99  1081.06 10597.74  1619.17  8010.82  1452.12  159.964   12.648  138.507   13.187 0.000000 0.000000 
1 1 1  -40    0   10 o  195.657   10.570 15695.74  1668.06 12981.54  2276.17 18844.37  2451.57  176.382   16.208  213.802   14.268 -0.000000 0.000000 
1 1 1  -40    0   11 o  357.142   26.256 53028.74  7519.44 53028.74  7519.44   0.0000   0.0000  357.142   26.256  357.142   26.256 0.000000 0.000000 
1 1 1  -40    0   12 o  659.691   31.752 180234.00 16918.00 190695.09 24015.15 169927.30 23837.16  672.506   44.424  632.922   46.979 0.000000 0.000000 
1 1 1  -40    0   13 o  343.386   17.261 48444.78  4785.02 50637.44  6872.20 46381.37  6666.57  349.081   24.523  333.737   24.921 0.000000 0.000000 
1 1 1  -40    0   14 o  562.653   28.426 131274.80 12910.83 139293.59 18154.41 123069.10 18364.75  574.343   39.353  537.490   42.700 -0.000000 0.000000 
1 1 1  -40    0   15 o  135.374   9.5356  7563.43  1036.19  7848.35  1650.55  7378.10  1331.21  136.178   15.439  132.845   12.602 0.000000 0.000000 
1 1 1  -40    0   16 o  337.587   17.315 46968.90  4717.73 47810.65  6811.49 46192.80  6540.52  337.860   25.150  332.246   24.553 0.000000 0.000000 
1 1 1  -40    0   17 o  174.257   10.970 12522.88  1538.10 11779.80  2362.64 13069.44  2026.30  166.650   17.991  177.125   14.304 0.000000 0.000000 
1 1 1  -40    0   18 o  102.143   10.615  4393.20  858.605  3918.38  973.247  6060.01  1823.47   95.201   13.342  115.582   21.656 -0.000000 0.000000 
1 1 1  -40    0   19 o   11.284   7.9535 -338.5695  288.864 -340.1182  296.968 -311.3497  1245.00   11.510   8.1027   29.379   19.528 -0.000000 0.000000 
1 1 1  -40    0   20 o   83.427   10.396  2977.09  674.713  3300.52  1588.23  2905.87  745.311   76.793   27.768   81.684   11.995 0.000000 0.000000 
1 1 1  -40    0   21 o  108.006   10.866  4930.77  930.770  5569.58  1037.17  2287.81  2109.65  114.774   11.387   59.160   31.804 -0.000000 0.000000 
1 1 1  -40    0   22 o   98.858   11.040  4169.76  857.880  4362.65  961.660  3417.96  1898.50  100.652   12.251   73.968   31.268 -0.000000 0.000000 
1 1 1  -40    0   23 o   26.797   15.172  405.500  508.760  917.662  2082.99  373.008  524.649   45.081   28.079   26.323   15.196 0.000000 0.000000 
1 1 1  -40    0   24 o   27.148   15.364  425.768  521.461   0.0000   0.0000  425.768  521.461   27.148   15.364   27.148   15.364 0.000000 0.000000 
1 1 1  -40    0   25 o   17.854   11.901 -116.4519  468.290   0.0000   0.0000 -116.4519  468.290   17.854   11.901   17.854   11.901 0.000000 0.000000 
1 1 1  -40    2    1 o  825.818   40.111 279975.09 26896.21 293077.91 38041.44 266878.31 38032.52  838.711   56.186  799.112   59.033 39.59882 81.49664 
1 1 1  -40    2    2 o  848.053   58.825 300545.59 40256.20 300545.59 40256.20   0.0000   0.0000  848.053   58.825  ?   ?  0.000000 58.82539 
1 1 1  -40    2    3 o  314.904   22.498 40618.04  5714.75 40618.04  5714.75   0.0000   0.0000  314.904   22.498  ?   ?  0.000000 22.49829 
1 1 1  -40    2    4 o  232.993   17.591 22221.50  3303.47 22221.50  3303.47   0.0000   0.0000  232.993   17.591  ?   ?  0.000000 17.59148 
1 1 1  -40    2    5 o  796.244   39.313 261320.30 25416.58 231205.70 35993.34 291271.81 35895.79  739.220   60.497  833.862   53.295 -94.64203 80.62387 
1 1 1  -40    2    6 o  672.847   47.188 189622.09 25617.05 189622.09 25617.05   0.0000   0.0000  672.847   47.188  ?   ?  0.000000 47.18792 
1 1 1  -40    2    7 o   75.439   6.7305  2330.48  407.941   0.0000   0.0000  2330.48  407.941  ?   ?    75.439   6.7305 0.000000 6.730479 
1 1 1  -40    2    8 o  307.203   13.013 38440.22  3245.97 31278.44  5686.32 41901.95  3953.38  274.633   25.803  320.547   15.189 -45.91406 29.94141 
1 1 1  -40    2    9 o  156.932   7.8053 10012.77  994.588  9421.35  1800.09 10272.65  1193.27  151.229   14.851  158.637   9.3046 -7.407944 17.52514 
1 1 1  -40    2   10 o  378.410   15.018 58480.98  4614.40 61823.56  8063.97 56853.60  5626.66  386.009   25.878  372.519   18.602 13.49066 31.87038 
1 1 1  -40    2   11 o  235.410   10.750 22576.81  2054.89 24126.87  2504.98 19387.75  3593.04  242.857   12.748  216.186   20.723 26.67072 24.32989 
1 1 1  -40    2   12 o  172.012   6.9679 12032.45  973.195 12538.51  1370.55 11517.80  1382.13  175.191   9.6723  167.827   10.191 7.363998 14.05020 
1 1 1  -40    2   13 o  209.592   8.1942 17882.98  1394.50 18933.76  1968.37 16824.16  1975.90  215.104   11.310  202.618   12.065 12.48645 16.53677 
1 1 1  -40    2   14 o  174.826   7.6445 12443.35  1085.16 11889.50  1520.45 13018.40  1549.27  170.279   11.057  178.257   10.754 -7.978287 15.42425 
1 1 1  -40    2   15 o   37.328   8.5291  590.721  252.858  782.558  340.639  355.288  377.365   42.930   9.9642   32.006   11.456 10.92416 15.18285 
1 1 1  -40    2   16 o  286.333   11.016 33581.39  2561.05 35818.87  3616.22 31329.87  3627.55  294.179   15.191  274.661   16.340 19.51779 22.31041 
1 1 1  -40    2   17 o  193.467   8.0194 15297.58  1259.76 14836.66  1776.87 15763.41  1786.31  189.502   11.604  195.437   11.305 -5.934601 16.20034 
1 1 1  -40    2   18 f  107.934   7.1238  4786.72  620.815  5293.64  857.830  4229.25  899.587  113.043   9.4320  100.514   11.214 12.52900 14.65294 
1 1 1  -40    2   19 o   85.611   6.9531  3024.81  479.161  3463.87  648.450  2496.73  711.154   91.214   8.8675   76.494   11.832 14.71936 14.78584 
1 1 1  -40    2   20 o  151.152   7.7497  9449.35  947.931  9614.03  1326.16  9277.32  1355.47  151.135   10.879  148.222   11.349 2.913284 15.72129 
1 1 1  -40    2   21 o   55.802   9.3990  1334.94  410.728  1381.42  511.712  1250.77  688.630   56.106   11.615   52.690   15.234 3.415901 19.15671 
1 1 1  -40    2   22 o   81.833   7.8262  2816.38  513.675  3679.36  693.946  1770.42  763.985   93.001   9.3149   61.751   15.312 31.24978 17.92315 
1 1 1  -40    2   23 o   72.974   8.7279  2286.56  506.886  1693.01  656.922  3159.92  796.865   60.304   13.725   84.081   12.014 -23.77674 18.23995 
1 1 1  -40    2   24 o   18.974   8.7580 -208.7978  314.998 -400.4908  398.865  108.903  513.490   19.768   9.3570   28.919   12.352 -9.150564 15.49605 
1 1 1  -40    2   25 f   22.697   10.030 -27.5244  363.429 -599.3044  503.400  594.914  525.227   20.839   10.037   36.059   13.418 -15.21987 16.75703 
1 1 1  -40    4    1 o  1152.81   82.338 569469.88 76564.33   0.0000   0.0000 569469.88 76564.33  ?   ?   1152.81   82.338 0.000000 82.33772 
1 1 1  -40    4    6 o  570.243   22.658 132932.30 10490.94 126394.20 18267.73 136149.80 12814.88  550.264   41.185  576.188   27.391 -25.92432 49.46173 
1 1 1  -40    4    7 o  184.165   8.5753 13786.57  1282.31 11304.30  2334.66 14858.89  1534.48  165.510   17.644  190.895   9.9342 -25.38451 20.24876 
1 1 1  -40    4    8 o  661.452   32.141 181431.00 17261.93   0.0000   0.0000 181431.00 17261.93  ?   ?   661.452   32.141 0.000000 32.14051 
1 1 1  -40    4    9 o  275.826   11.321 30982.93  2535.49 37641.75  4472.22 27828.84  3077.95  302.736   18.279  260.741   14.597 41.99469 23.39249 
1 1 1  -40    4   10 o   25.226   7.8325  256.936  177.253 -706.0719  410.633  477.463  196.503   18.252   8.8569   33.614   7.4000 -15.36263 11.54146 
1 1 1  -40    4   11 o  115.235   7.0099  5419.14  652.779  8595.84  1212.45  4122.42  774.635  144.901   10.374  100.165   9.6437 44.73604 14.16387 
1 1 1  -40    4   12 o  105.185   7.1038  4520.22  603.150  3602.06  1097.17  4917.87  722.042   92.650   15.105  109.629   8.1701 -16.97875 17.17288 
1 1 1  -40    4   13 o  212.962   8.8725 18472.88  1534.22 20261.48  2162.56 16660.45  2176.93  222.411   12.020  201.390   13.389 21.02046 17.99269 
1 1 1  -40    4   14 o  313.055   11.677 40055.47  2968.21 40556.25  4184.63 39548.38  4210.86  313.549   16.495  309.520   16.818 4.028198 23.55678 
1 1 1  -40    4   15 o  137.500   6.4468  7694.52  719.752  7033.49  987.369  8444.08  1051.41  130.956   9.3471  143.588   9.0647 -12.63177 13.02061 
1 1 1  -40    4   16 o  158.517   6.9190 10238.82  890.549  9133.54  1230.68 11453.78  1290.29  149.052   10.231  167.116   9.5485 -18.06404 13.99433 
1 1 1  -40    4   17 o  191.982   8.2527 15075.68  1286.46 16428.79  1801.55 13667.79  1837.66  199.498   11.166  181.505   12.546 17.99300 16.79570 
1 1 1  -40    4   18 o  153.017   7.2612  9586.19  902.172  9435.44  1242.32  9754.40  1312.28  150.868   10.201  153.281   10.609 -2.413025 14.71804 
1 1 1  -40    4   19 o   91.629   7.0822  3465.28  522.827  3643.27  714.392  3259.99  767.208   93.358   9.5590   87.844   10.997 5.514595 14.57108 
1 1 1  -40    4   20 o  186.568   8.4006 14408.03  1272.58 12933.75  1767.00 15996.68  1834.27  174.314   12.569  194.550   11.665 -20.23615 17.14803 
1 1 1  -40    4   21 o   83.841   7.7165  2936.99  519.417  2721.25  664.087  3276.94  833.619   79.717   10.516   86.893   12.147 -7.175392 16.06722 
1 1 1  -40    4   22 o   79.933   8.0037  2694.28  512.482  2918.16  652.416  2333.57  828.127   82.414   9.9510   71.273   14.794 11.14102 17.82941 
1 1 1  -40    4   23 o   83.413   8.2413  2966.16  550.871  3233.36  681.905  2464.20  934.631   86.233   9.9196   71.122   16.503 15.11118 19.25494 
1 1 1  -40    4   24 o   19.135   8.8084 -196.3172  315.611 -340.0883  366.703  214.493  619.867   19.277   9.0777   32.333   13.682 -13.05595 16.41943 
1 1 1  -40    4   25 f   35.495   11.430  599.238  374.366  788.484  444.850  139.903  693.052   39.947   12.409   31.537   13.898 8.410549 18.63192 
1 1 1  -40    6    1 o  404.295   29.961 67242.33  9765.54   0.0000   0.0000 67242.33  9765.54  ?   ?   404.295   29.961 0.000000 29.96132 
1 1 1  -40    6    2 o  497.547   25.392 101349.40 10224.02 106032.20 14218.40 96335.77 14712.14  507.130   34.739  482.571   37.851 24.55994 51.37580 
1 1 1  -40    6    3 f  525.560   36.802 114161.00 15605.77 114161.00 15605.77   0.0000   0.0000  525.560   36.802  ?   ?  0.000000 36.80223 
1 1 1  -40    6    4 o  581.967   40.757 140682.00 19137.58 140682.00 19137.58   0.0000   0.0000  581.967   40.757  ?   ?  0.000000 40.75679 
1 1 1  -40    6    7 o  159.384   9.2806 10365.14  1195.85   0.0000   0.0000 10365.14  1195.85  ?   ?   159.384   9.2806 0.000000 9.280645 
1 1 1  -40    6    8 o  616.185   30.245 157314.80 15132.38   0.0000   0.0000 157314.80 15132.38  ?   ?   616.185   30.245 0.000000 30.24529 
1 1 1  -40    6    9 o  390.720   19.435 62567.80  6165.87   0.0000   0.0000 62567.80  6165.87  ?   ?   390.720   19.435 0.000000 19.43526 
1 1 1  -40    6   10 o  320.685   16.363 42173.96  4246.54   0.0000   0.0000 42173.96  4246.54  ?   ?   320.685   16.363 0.000000 16.36312 
1 1 1  -40    6   11 o  259.474   13.703 27574.15  2876.78   0.0000   0.0000 27574.15  2876.78  ?   ?   259.474   13.703 0.000000 13.70304 
1 1 1  -40    6   12 o   55.998   8.8470  1307.81  388.896  380.224  922.989  1508.03  428.819   43.325   17.328   60.191   9.0545 -16.86606 19.55089 
1 1 1  -40    6   13 o  340.870   14.170 47585.37  3921.83 48445.99  6889.76 47172.85  4770.03  339.934   25.140  338.207   17.429 1.727081 30.59075 
1 1 1  -40    6   14 o   57.377   10.395  1385.06  466.438  2357.28  1106.34  1174.89  514.389   74.116   18.455   52.550   12.277 21.56638 22.16520 
1 1 1  -40    6   15 o   48.811   12.247  1014.33  484.571  1173.31  1149.05  979.937  534.418   56.594   20.018   48.126   13.254 8.467426 24.00843 
1 1 1  -40    6   16 o  114.436   6.3979  5351.06  592.095  5119.65  828.584  5592.52  846.396  111.530   9.2328  116.636   9.0070 -5.106537 12.89844 
1 1 1  -40    6   17 o  179.965   7.8453 13246.44  1146.39 13010.15  1587.95 13503.64  1656.73  177.373   11.081  180.637   11.353 -3.263855 15.86480 
1 1 1  -40    6   18 o  122.141   7.1461  6130.11  705.623  5990.99  925.336  6323.40  1090.74  120.174   9.5622  123.058   11.033 -2.883873 14.60050 
1 1 1  -40    6   19 o   19.522   8.4573 -30.6911  247.299   7.9073  298.353 -115.4263  442.057   22.207   9.4485   25.102   11.079 -2.895386 14.56110 
1 1 1  -40    6   20 o   42.783   10.050  794.225  343.181  780.554  437.854  816.001  552.592   42.388   12.115   43.735   13.866 -1.346848 18.41339 
1 1 1  -40    6   21 o   82.884   7.6620  2872.18  509.811  2347.73  642.656  3762.51  837.340   73.683   11.085   93.526   11.252 -19.84315 15.79518 
1 1 1  -40    6   22 o   28.543   10.643  280.103  330.791  254.105  379.580  362.179  674.453   29.038   11.263   36.524   14.740 -7.485939 18.55032 
1 1 1  -40    6   23 o   85.602   8.0062  3120.10  550.017  2937.27  680.865  3463.51  933.134   81.700   10.507   86.611   13.727 -4.910217 17.28639 
1 1 1  -40    6   24 o   31.333   10.920  416.802  341.078  581.918  383.809 -203.3187  743.805   35.761   11.579   30.049   13.716 5.712044 17.95042 
1 1 1  -40    6   25 o   16.691   7.9367 -310.9014  293.475 -482.8143  323.509  488.154  697.461   16.153   7.8439   35.469   14.725 -19.31539 16.68427 
1 1 1  -40    8    1 o  219.318   19.463 19763.52  3430.01   0.0000   0.0000 19763.52  3430.01  ?   ?   219.318   19.463 0.000000 19.46344 
1 1 1  -40    8    2 o  788.632   56.480 263009.19 35927.39   0.0000   0.0000 263009.19 35927.39  ?   ?   788.632   56.480 0.000000 56.48044 
1 1 1  -40    8    3 o  632.424   32.484 164933.59 16624.37 138504.59 23603.47 190949.80 23418.44  572.675   51.305  676.831   42.834 -104.1561 66.83480 
1 1 1  -40    8    4 o  614.526   29.656 155186.41 14797.51 159147.30 20984.74 151268.91 20869.40  617.224   42.124  601.318   43.028 15.90625 60.21432 
1 1 1  -40    8    5 o  216.203   12.088 19080.63  2113.54 15440.10  3024.60 22554.67  2954.63  193.463   19.521  234.735   15.591 -41.27277 24.98310 
1 1 1  -40    8    6 f  626.804   44.609 166164.30 22555.30 166164.30 22555.30   0.0000   0.0000  626.804   44.609  ?   ?  0.000000 44.60899 
1 1 1  -40    8    7 o   34.475   11.587  451.675  383.173  451.675  383.173   0.0000   0.0000   34.475   11.587  ?   ?  0.000000 11.58653 
1 1 1  -40    8    8 o  247.770   18.241 25255.45  3643.86   0.0000   0.0000 25255.45  3643.86  ?   ?   247.770   18.241 0.000000 18.24062 
1 1 1  -40    8    9 o   89.487   8.2490  3284.51  592.628  1166.38  1001.31  4426.50  735.228   55.351   18.729  103.941   8.7940 -48.59048 20.69127 
1 1 1  -40    8   10 o  384.383   18.978 60633.34  5923.28 63517.92  8471.22 57873.89  8285.44  390.461   26.883  372.371   27.600 18.08972 38.52868 
1 1 1  -40    8   11 o  398.945   28.717 66754.19  9240.09   0.0000   0.0000 66754.19  9240.09  ?   ?   398.945   28.717 0.000000 28.71703 
1 1 1  -40    8   12 o  232.002   18.022 22261.50  3368.31   0.0000   0.0000 22261.50  3368.31  ?   ?   232.002   18.022 0.000000 18.02204 
1 1 1  -40    8   13 o  187.798   15.687 14578.84  2370.14   0.0000   0.0000 14578.84  2370.14  ?   ?   187.798   15.687 0.000000 15.68700 
1 1 1  -40    8   14 o  447.032   33.125 86390.11 11938.03   0.0000   0.0000 86390.11 11938.03  ?   ?   447.032   33.125 0.000000 33.12508 
1 1 1  -40    8   15 o   74.094   10.914  2293.88  636.944   0.0000   0.0000  2293.88  636.944  ?   ?    74.094   10.914 0.000000 10.91412 
1 1 1  -40    8   16 o  200.842   11.911 16648.76  1933.79   0.0000   0.0000 16648.76  1933.79  ?   ?   200.842   11.911 0.000000 11.91134 
1 1 1  -40    8   17 o   94.005   10.764  3689.25  806.818   0.0000   0.0000  3689.25  806.818  ?   ?    94.005   10.764 0.000000 10.76435 
1 1 1  -40    8   18 o  110.163   10.812  5079.89  954.623   0.0000   0.0000  5079.89  954.623  ?   ?   110.163   10.812 0.000000 10.81156 
1 1 1  -40    8   19 o  160.797   11.490 10881.75  1490.28   0.0000   0.0000 10881.75  1490.28  ?   ?   160.797   11.490 0.000000 11.49003 
1 1 1  -40    8   20 o  211.175   13.441 19177.39  2292.78   0.0000   0.0000 19177.39  2292.78  ?   ?   211.175   13.441 0.000000 13.44148 
1 1 1  -40    8   21 o   21.179   9.2239 -38.7326  297.310 -203.4417  337.559  531.044  627.830   20.220   9.2337   38.737   14.619 -18.51702 17.29087 
1 1 1  -40    8   22 o   16.799   7.8454 -238.7589  264.375 -172.7305  304.121 -443.0039  534.880   19.280   8.7889   23.844   11.143 -4.564711 14.19229 
1 1 1  -40    8   23 o   22.368   10.669 -603.3231  538.921   0.0000   0.0000 -603.3231  538.921  ?   ?    22.368   10.669 0.000000 10.66918 
1 1 1  -40    8   24 o   24.159   10.190   85.448  342.076  109.078  407.664   29.218  628.861   26.236   11.098   29.933   13.213 -3.697462 17.25552 
1 1 1  -40    8   25 f   88.090   8.9818  3518.61  633.444  3462.92  758.003  3647.56  1153.34   84.969   11.265   77.478   18.574 7.490356 21.72318 
1 1 1  -40   10    1 o  302.651   24.233 37741.61  5905.19   0.0000   0.0000 37741.61  5905.19  ?   ?   302.651   24.233 0.000000 24.23324 
1 1 1  -40   10    2 o  628.487   34.980 163803.91 17779.98   0.0000   0.0000 163803.91 17779.98  ?   ?   628.487   34.980 0.000000 34.98000 
1 1 1  -40   10    3 o  736.310   36.556 224842.41 21855.35 215477.09 31051.49 234036.70 30766.75  710.104   54.265  742.096   51.376 -31.99194 74.72793 
1 1 1  -40   10    4 o  396.116   20.470 64339.62  6561.25 57262.25  9367.85 71154.73  9192.64  371.099   31.384  415.033   27.433 -43.93423 41.68337 
1 1 1  -40   10    5 o  358.134   18.526 52558.88  5368.69 47385.60  7657.19 57560.90  7529.38  337.907   28.165  373.458   24.974 -35.55096 37.64265 
1 1 1  -40   10    6 o  582.314   28.923 140165.80 13675.23 130254.20 19394.61 149966.00 19285.26  553.668   43.491  596.262   40.066 -42.59442 59.13374 
1 1 1  -40   10    7 o  252.435   13.775 26063.07  2812.84 23481.10  4025.12 28527.51  3932.43  238.357   21.013  263.383   18.506 -25.02576 27.99968 
1 1 1  -40   10    8 o  396.842   19.167 64544.94  6175.90   0.0000   0.0000 64544.94  6175.90  ?   ?   396.842   19.167 0.000000 19.16656 
1 1 1  -40   10    9 o  375.003   14.692 57447.74  4473.55 65881.49  7866.86 53417.12  5438.48  398.711   24.418  360.461   18.645 38.25034 30.72237 
1 1 1  -40   10   10 o  434.520   17.867 77449.11  6303.59 77458.93 11035.41 77444.36  7679.81  428.676   31.934  432.856   21.922 -4.180725 38.73424 
1 1 1  -40   10   11 o  255.104   11.523 26551.10  2386.84 23772.19  4268.87 27814.98  2878.90  238.808   22.272  260.496   13.658 -21.68816 26.12683 
1 1 1  -40   10   12 o  204.859   9.5686 17105.14  1591.63 18548.08  2924.07 16497.62  1897.33  211.740   17.155  200.659   11.696 11.08096 20.76284 
1 1 1  -40   10   13 o  112.518   7.7561  5179.67  704.276  7738.54  1384.07  4285.64  818.108  136.954   12.587  102.005   10.006 34.94952 16.08009 
1 1 1  -40   10   14 o  315.982   17.091 41360.87  4368.61 37584.81  6301.20 44855.73  6062.04  297.081   26.397  326.502   23.014 -29.42197 35.02054 
1 1 1  -40   10   15 o  318.983   16.719 42313.60  4315.23 46451.16  6252.23 38549.58  5963.33  330.542   23.448  300.253   24.679 30.28928 34.04162 
1 1 1  -40   10   16 o   52.629   16.144  1161.71  755.664  663.135  1287.17  1423.93  933.458   51.668   20.528   58.126   17.962 -6.457756 27.27708 
1 1 1  -40   10   17 o  134.000   12.503  7527.47  1344.61  2717.69  2079.28 10984.48  1762.79   78.864   26.988  161.664   13.554 -82.79988 30.20071 
1 1 1  -40   10   18 o  258.191   15.644 28519.13  3264.20 27046.64  4722.38 29866.34  4517.03  242.984   24.260  258.257   21.743 -15.27278 32.57768 
1 1 1  -40   10   19 o   88.797   16.126  3504.43  1119.88  5488.78  1723.93  2055.67  1473.01  109.322   20.164   67.287   22.717 42.03511 30.37507 
1 1 1  -40   10   20 o   70.036   19.100  2310.56  1116.18  4932.25  1718.85  398.898  1467.76  101.303   21.559   49.083   20.922 52.21971 30.04182 
1 1 1  -40   10   21 o   59.320   19.421  1672.05  1078.39  2728.22  1822.28  1102.83  1337.79   72.092   25.234   53.312   21.008 18.77942 32.83389 
1 1 1  -40   10   22 o   39.314   17.724 -152.7525  1195.88  221.312  1801.03 -447.7242  1599.33   48.715   21.875   42.694   19.716 6.020348 29.44918 
1 1 1  -40   10   23 o   40.393   19.508 -1382.6560  1932.14 -1382.6560  1932.14   0.0000   0.0000   40.393   19.508  ?   ?  0.000000 19.50760 
1 1 1  -40   10   25 o   71.605   18.272  3206.21  1065.86   0.0000   0.0000  3206.21  1065.86  ?   ?    71.605   18.272 0.000000 18.27208 
1 1 1  -40   12    1 o   81.292   19.046  2808.83  1235.13   0.0000   0.0000  2808.83  1235.13  ?   ?    81.292   19.046 0.000000 19.04575 
1 1 1  -40   12    2 o  288.203   15.114 33959.41  3524.42   0.0000   0.0000 33959.41  3524.42  ?   ?   288.203   15.114 0.000000 15.11359 
1 1 1  -40   12    3 o  374.592   19.009 57520.22  5762.86 60299.02  8353.06 54996.20  7960.91  381.691   27.129  364.446   27.096 17.24542 38.34293 
1 1 1  -40   12    4 o  258.467   14.363 27322.29  3002.42 26673.85  4400.38 27887.13  4106.92  254.209   21.521  260.326   19.573 -6.117371 29.09014 
1 1 1  -40   12    5 o  219.283   13.016 19663.54  2307.06 15961.09  3365.80 22944.62  3168.49  196.138   21.486  236.434   16.610 -40.29610 27.15754 
1 1 1  -40   12    6 o  314.198   16.560 40450.99  4209.75 39573.03  6042.30 41279.16  5868.49  309.131   24.268  316.067   23.025 -6.935883 33.45264 
1 1 1  -40   12    7 o  297.497   15.792 36263.62  3800.95 36098.13  5460.72 36419.15  5293.86  295.321   22.953  296.840   22.123 -1.518951 31.87902 
1 1 1  -40   12    8 o  165.396   10.755 11189.39  1436.46 11022.43  2128.41 11329.04  1946.65  163.367   16.262  165.915   14.598 -2.547775 21.85297 
1 1 1  -40   12    9 o  244.792   10.647 24415.40  2116.24 29371.39  3861.63 22288.13  2529.98  267.031   17.914  233.259   13.414 33.77124 22.37992 
1 1 1  -40   12   10 o  258.411   11.626 27241.72  2439.33 26484.42  4422.14 27572.94  2924.51  252.377   21.793  259.337   13.939 -6.960144 25.87014 
1 1 1  -40   12   11 o  376.163   18.006 58210.86  5499.60 66193.70  7972.47 50963.46  7596.37  398.086   24.788  348.141   27.086 49.94479 36.71625 
1 1 1  -40   12   12 o  663.878   27.294 185248.50 14712.91 179844.50 25664.73 187893.80 17956.50  626.929   50.856  662.198   33.505 -35.26923 60.90064 
1 1 1  -40   12   13 o  164.560   8.5551 11068.21  1139.16 16930.47  2299.29  9161.14  1311.43  202.630   14.062  149.337   10.890 53.29305 17.78604 
1 1 1  -40   12   14 o  129.384   8.6449  6861.40  902.970  6793.10  1924.17  6880.69  1022.56  126.385   19.368  129.392   9.8058 -3.007126 21.70857 
1 1 1  -40   12   15 f   79.503   10.212  2632.43  643.977  2568.25  1533.25  2646.17  709.601   76.958   22.866   79.492   11.313 -2.533813 25.51176 
1 1 1  -40   12   16 o  142.105   9.3536  8328.56  1073.23  8168.49  2222.58  8377.23  1225.58  136.742   20.662  142.183   10.694 -5.440140 23.26567 
1 1 1  -40   12   17 o   91.994   10.060  3537.67  739.183  2979.84  1742.01  3660.16  816.318   80.555   24.473   93.341   10.981 -12.78555 26.82373 
1 1 1  -40   12   18 o   71.541   11.251  2185.10  631.970  4051.59  1364.45  1675.33  713.067   94.979   18.357   61.607   14.497 33.37163 23.39066 
1 1 1  -40   12   19 o   45.124   14.885  857.201  632.997  2641.74  1629.91  540.241  686.915   74.144   23.847   40.195   15.262 33.94871 28.31252 
1 1 1  -40   12   20 o   43.795   14.301  823.968  584.858  436.111  1484.39  895.244  636.333   49.220   21.012   45.516   14.920 3.704090 25.76990 
1 1 1  -40   12   21 o   81.980   12.786  2989.99  823.339  4509.06  2199.27  2742.38  887.908   88.089   27.629   77.418   14.662 10.67040 31.27791 
1 1 1  -40   12   22 o   82.759   12.554  3097.85  817.122  3901.82  2403.22  2992.76  868.889   76.115   28.628   80.503   13.789 -4.388374 31.77555 
1 1 1  -40   12   23 o   48.425   16.491  1186.48  776.353  1058.08  2073.73  1207.41  837.240   51.416   23.245   48.703   17.101 2.713871 28.85772 
1 1 1  -40   12   24 o   29.134   13.692 -398.2379  826.887   0.0000   0.0000 -398.2379  826.887  ?   ?    29.134   13.692 0.000000 13.69166 
1 1 1  -40   14    1 o  270.910   23.538 30359.77  5126.21   0.0000   0.0000 30359.77  5126.21  ?   ?   270.910   23.538 0.000000 23.53809 
1 1 1  -40   14    2 o  209.654   11.387 17946.99  1931.14 16460.76  3576.92 18558.40  2294.23  199.048   22.528  212.985   13.333 -13.93695 26.17823 
1 1 1  -40   14    3 o  599.918   26.011 148315.20 12670.24 124136.60 22096.40 160159.30 15465.28  535.374   51.465  621.626   30.640 -86.25214 59.89529 
1 1 1  -40   14    4 o  420.862   23.010 73007.81  7833.21 60784.71 11309.82 84277.06 10859.57  379.212   37.211  450.014   29.890 -70.80231 47.72878 
1 1 1  -40   14    5 o  546.450   29.554 124194.40 13064.20 99715.19 18673.08 147664.59 18284.20  479.702   48.612  591.325   38.287 -111.6227 61.87915 
1 1 1  -40   14    6 o  410.576   22.117 69523.54  7346.10 58350.65 10555.63 80017.57 10229.93  371.428   35.430  438.203   28.914 -66.77512 45.73061 
1 1 1  -40   14    7 o  445.659   32.259 83459.66 11594.18   0.0000   0.0000 83459.66 11594.18  ?   ?   445.659   32.259 0.000000 32.25861 
1 1 1  -40   14    8 o  170.414   11.142 11887.01  1533.31 13149.05  2307.61 10889.34  2051.73  178.521   16.093  162.385   15.759 16.13675 22.52401 
1 1 1  -40   14    9 o   74.017   11.242  2284.39  654.383  317.097  1089.45  3394.76  818.481   45.580   18.608   90.530   11.387 -44.95063 21.81568 
1 1 1  -40   14   10 o  384.819   15.510 60704.07  4846.20 63818.45  8643.02 59275.94  5852.80  389.698   27.491  378.872   19.087 10.82562 33.46737 
1 1 1  -40   14   11 o  409.074   20.984 69484.96  6946.47 68838.69 10076.57 70070.24  9589.14  401.867   31.124  406.590   29.241 -4.722473 42.70524 
1 1 1  -40   14   12 o  154.420   8.2980  9744.21  1036.62 12764.43  2161.54  8842.10  1181.33  175.579   15.315  146.857   9.9659 28.72191 18.27218 
1 1 1  -40   14   13 o  116.238   8.3759  5538.46  785.227  5407.93  1820.58  5568.29  870.341  112.209   20.746  116.424   9.2840 -4.215164 22.72894 
1 1 1  -40   14   14 o  395.171   15.769 64737.71  5059.88 72522.48  9067.26 61217.16  6097.60  409.006   27.462  381.584   19.748 27.42203 33.82530 
1 1 1  -40   14   15 f  128.660   9.3135  6824.07  966.380  5201.80  2140.03  7239.62  1083.10  107.333   25.018  132.353   10.156 -25.01972 27.00053 
1 1 1  -40   14   16 o  151.760   9.4489  9520.08  1158.55  9927.90  2490.99  9407.51  1308.72  149.970   21.035  150.451   10.785 -0.4813995 23.63844 
1 1 1  -40   14   17 o   94.795   10.038  3763.03  760.869  3980.58  1878.99  3720.36  832.146   91.721   24.686   93.928   11.127 -2.206696 27.07759 
1 1 1  -40   14   18 o   43.833   13.729  817.737  543.274  1141.53  1425.25  762.694  587.640   56.506   21.850   43.042   14.348 13.46436 26.14035 
1 1 1  -40   14   19 o  113.164   10.421  5422.41  946.748  5414.03  2106.06  5424.53  1059.88  103.543   25.272  112.560   11.771 -9.017380 27.87882 
1 1 1  -40   14   20 o   44.368   15.504  824.867  687.804  3740.90  1719.18  269.175  750.484   84.787   23.928   36.889   15.292 47.89795 28.39716 
1 1 1  -40   14   21 o  116.854   11.280  5959.01  1056.96  4949.95  2823.72  6123.43  1139.82   85.331   31.225  117.877   12.079 -32.54634 33.48020 
1 1 1  -40   14   22 o   45.516   16.507  954.516  786.621 -294.4254  2102.87  1157.71  848.200   46.768   21.933   48.892   17.209 -2.123932 27.87816 
1 1 1  -40   14   23 o   32.018   14.616 -147.3499  844.598 -2901.0000  2773.03  134.215  886.728   40.863   20.405   35.091   15.580 5.772018 25.67248 
1 1 1  -40   14   24 o   26.636   12.912 -843.6802  866.551   0.0000   0.0000 -843.6802  866.551  ?   ?    26.636   12.912 0.000000 12.91201 
1 1 1  -40   16    1 o  319.987   17.834 42010.82  4615.17   0.0000   0.0000 42010.82  4615.17  ?   ?   319.987   17.834 0.000000 17.83388 
1 1 1  -40   16    2 o  431.926   23.309 76957.88  8144.33   0.0000   0.0000 76957.88  8144.33  ?   ?   431.926   23.309 0.000000 23.30874 
1 1 1  -40   16    3 o  696.887   29.829 201611.80 16878.87 171966.00 29469.79 216084.59 20590.79  621.856   59.074  718.300   35.304 -96.44440 68.81953 
1 1 1  -40   16    4 o   94.467   9.9458  3672.48  751.424  758.536  1445.74  4751.00  879.559   55.824   21.889  107.551   10.194 -51.72704 24.14629 
1 1 1  -40   16    5 o  137.140   10.828  7708.18  1195.98  6904.37  1943.09  8198.44  1517.49  128.365   19.235  141.121   13.404 -12.75513 23.44476 
1 1 1  -40   16    6 o  188.126   12.518 14499.84  1901.23 12497.94  2944.28 15931.59  2489.96  172.987   21.420  196.742   15.718 -23.75455 26.56798 
1 1 1  -40   16    7 o  480.237   34.982 97885.59 13547.17   0.0000   0.0000 97885.59 13547.17  ?   ?   480.237   34.982 0.000000 34.98250 
1 1 1  -40   16    8 f  479.536   24.371 95618.93  9458.00 97278.83 13587.56 94058.67 13173.34  477.595   35.288  469.913   34.772 7.682251 49.54168 
1 1 1  -40   16    9 f  466.867   24.413 90872.63  9222.30 85757.90 13237.06 95697.03 12855.88  446.107   36.874  473.645   33.647 -27.53815 49.91833 
1 1 1  -40   16   10 f  357.685   14.213 52424.41  4127.81 54904.79  7497.57 51345.58  4944.67  361.455   25.714  353.219   17.241 8.235992 30.95887 
1 1 1  -40   16   11 o  180.160   8.9636 13233.17  1311.22 15736.92  2659.08 12428.76  1507.21  194.695   16.991  174.118   10.713 20.57773 20.08607 
1 1 1  -40   16   12 o  267.531   12.423 29342.79  2698.55 25773.20  5054.61 30765.81  3191.43  245.674   25.720  273.110   14.443 -27.43546 29.49798 
1 1 1  -40   16   13 o  355.126   14.204 52044.39  4095.59 59030.91  7491.30 49065.90  4891.31  371.243   24.998  342.900   17.627 28.34296 30.58764 
1 1 1  -40   16   14 o  323.138   14.721 43419.67  3862.55 38132.58  7094.41 45647.20  4604.90  290.612   30.521  329.454   17.274 -38.84238 35.07053 
1 1 1  -40   16   15 o  149.997   9.2585  9285.76  1122.10 12031.77  2451.76  8558.16  1262.04  167.115   18.372  143.518   10.912 23.59616 21.36801 
1 1 1  -40   16   16 o   82.777   10.721  2886.99  703.622  8264.31  1798.73  1915.50  764.544  138.373   16.324   66.143   14.624 72.23001 21.91646 
1 1 1  -40   16   17 o  160.138   10.198 10709.44  1319.10  8974.94  2882.76 11168.80  1483.53  135.782   27.097  163.051   11.275 -27.26909 29.34889 
1 1 1  -40   16   18 o  195.785   11.031 16168.34  1746.46 13970.65  3541.47 16874.54  2007.55  167.518   26.951  198.989   12.488 -31.47078 29.70338 
1 1 1  -40   16   19 o   73.060   13.229  2364.43  755.895  4563.14  2172.16  2061.49  806.290   92.072   27.182   67.323   15.120 24.74840 31.10422 
1 1 1  -40   16   20 o   23.864   11.399 -740.5198  619.628 -1891.1040  2061.25 -626.2188  649.677   42.441   20.409   25.488   12.027 16.95298 23.68894 
1 1 1  -40   16   21 o  139.329   15.875  9153.46  1763.87  8926.17  3384.51  9238.22  2066.73  107.863   34.329  135.754   19.292 -27.89137 39.37865 
1 1 1  -40   16   22 o  139.609   16.817  9799.37  1867.94 10971.68  3725.55  9405.70  2158.92  104.045   36.099  129.995   21.183 -25.95090 41.85534 
1 1 1  -40   16   23 o   36.728   16.609  183.555  1059.43   0.0000   0.0000  183.555  1059.43  ?   ?    36.728   16.609 0.000000 16.60862 
1 1 1  -40   18    1 o  381.673   21.255 60058.95  6560.76   0.0000   0.0000 60058.95  6560.76  ?   ?   381.673   21.255 0.000000 21.25451 
1 1 1  -40   18    2 o  121.821   12.066  6108.43  1177.77   0.0000   0.0000  6108.43  1177.77  ?   ?   121.821   12.066 0.000000 12.06557 
1 1 1  -40   18    3 o  510.427   23.477 107493.60  9729.86 90407.41 17179.16 115563.10 11805.97  455.245   47.159  526.918   27.691 -71.67325 54.68801 
1 1 1  -40   18    4 o  239.143   12.127 23383.07  2347.11 20126.88  4242.44 24819.34  2817.60  219.410   24.217  246.088   14.161 -26.67764 28.05329 
1 1 1  -40   18    5 o  518.296   28.063 112193.90 11765.80 100533.00 17033.26 122835.20 16271.58  480.780   44.125  536.554   37.586 -55.77420 57.96347 
1 1 1  -40   18    6 o  137.535   14.234  7815.65  1566.58   0.0000   0.0000  7815.65  1566.58  ?   ?   137.535   14.234 0.000000 14.23421 
1 1 1  -40   18    7 o  261.207   15.015 28031.10  3171.18 29611.87  4819.67 26824.31  4211.13  266.589   22.475  254.180   20.581 12.40854 30.47478 
1 1 1  -40   18    8 o  202.074   13.043 16765.84  2128.61 18023.72  3363.59 15925.56  2749.13  207.982   20.171  196.045   17.453 11.93704 26.67366 
1 1 1  -40   18    9 o  292.034   16.481 35177.13  3891.94 35840.60  5822.00 34641.09  5233.06  291.932   24.796  287.826   22.573 4.105927 33.53161 
1 1 1  -40   18   10 o  433.854   34.479 81771.88 12045.89 81771.88 12045.89   0.0000   0.0000  433.854   34.479  ?   ?  0.000000 34.47887 
1 1 1  -40   18   11 o   74.994   8.4212  2322.37  503.927  2356.45  1538.53  2318.27  533.348   74.771   23.053   74.845   8.9540 -0.7353210E-01 24.73058 
1 1 1  -40   18   12 o  119.884   8.3907  5897.39  811.619  3777.14  2011.72  6309.59  887.012   92.473   25.810  123.948   8.8722 -31.47496 27.29192 
1 1 1  -40   18   13 o  300.088   13.738 37329.57  3347.53 32455.21  6308.45 39240.06  3949.44  268.974   29.362  306.204   15.940 -37.23022 33.40984 
1 1 1  -40   18   14 o   52.437   12.967  1187.92  549.006  1150.22  1545.48  1193.36  587.312   59.344   22.806   52.536   13.646 6.807617 26.57691 
1 1 1  -40   18   15 o   38.590   12.566  604.447  451.663 -1397.7190  1528.78  795.918  472.766   39.589   18.609   43.215   12.659 -3.626884 22.50659 
1 1 1  -40   18   16 o  121.400   9.6301  6144.66  941.472  5490.06  2329.50  6272.45  1029.28  105.954   26.999  122.378   10.459 -16.42413 28.95441 
1 1 1  -40   18   17 o   82.575   11.977  2930.27  779.580  915.018  2185.16  3224.18  834.493   60.998   25.743   86.599   12.206 -25.60092 28.49043 
1 1 1  -40   18   18 o   21.009   10.039 -616.5709  481.635 -3027.0291  1957.87 -461.3040  496.905   38.347   18.768   22.817   10.688 15.53078 21.59795 
1 1 1  -40   18   19 o   86.235   13.174  3299.75  893.157  670.987  2316.70  3758.68  967.987   57.462   25.363   92.037   13.342 -34.57560 28.65780 
1 1 1  -40   18   20 o   52.611   16.271  1315.94  765.814 -196.1651  2707.75  1447.41  798.411   53.745   25.102   54.909   16.543 -1.163410 30.06322 
1 1 1  -40   18   21 o   60.008   20.434  1976.37  1191.95  2076.34  3062.86  1958.53  1293.95   60.807   27.786   59.375   21.217 1.431503 34.96052 
1 1 1  -40   18   22 o   65.432   21.314  2700.17  1299.46  1608.96  3474.29  2877.65  1401.15   53.742   26.004   66.384   22.157 -12.64151 34.16328 
1 1 1  -40   18   23 o   31.497   14.671 -164.1332  915.149   0.0000   0.0000 -164.1332  915.149  ?   ?    31.497   14.671 0.000000 14.67138 
1 1 1  -40   20    1 o  462.275   24.177 88647.66  9043.39   0.0000   0.0000 88647.66  9043.39  ?   ?   462.275   24.177 0.000000 24.17709 
1 1 1  -40   20    2 o  556.840   30.060 130052.70 13541.04   0.0000   0.0000 130052.70 13541.04  ?   ?   556.840   30.060 0.000000 30.06042 
1 1 1  -40   20    3 o  443.033   19.748 80772.02  7103.78 77058.88 12742.78 82446.33  8556.77  424.026   37.394  445.681   23.731 -21.65524 44.28861 
1 1 1  -40   20    4 o  273.191   15.539 30664.84  3432.70 26080.81  6273.54 32623.78  4101.09  247.027   32.031  281.236   18.055 -34.20901 36.76941 
1 1 1  -40   20    5 o   80.239   13.967  2708.51  876.934   0.0000   0.0000  2708.51  876.934  ?   ?    80.239   13.967 0.000000 13.96732 
1 1 1  -40   20    6 o  268.969   17.579 29873.39  3818.04 21513.94  5890.17 35931.05  5014.08  222.858   33.594  294.031   21.143 -71.17247 39.69378 
1 1 1  -40   20    7 o  294.918   18.603 36005.59  4431.92 26159.48  6683.50 43733.03  5920.92  245.242   34.519  323.683   22.672 -78.44124 41.29857 
1 1 1  -40   20    8 o  346.796   19.322 49905.21  5419.24 49149.41  8089.33 50520.61  7299.32  339.259   29.664  345.852   26.187 -6.593597 39.56921 
1 1 1  -40   20    9 o   70.353   23.495  1977.05  1575.51  1977.05  1575.51   0.0000   0.0000   70.353   23.495  ?   ?  0.000000 23.49528 
1 1 1  -40   20   10 o  137.378   13.056  7822.44  1438.82  7436.51  2519.15  8009.29  1752.86  130.632   24.654  138.357   15.891 -7.725189 29.33189 
1 1 1  -40   20   11 o  352.856   13.123 51337.77  3759.91 62885.86  7231.13 47058.75  4401.72  383.612   23.326  336.522   16.109 47.08990 28.34803 
1 1 1  -40   20   12 o  422.078   18.049 75088.76  6185.46 73715.26 11409.60 75660.46  7361.06  396.395   35.837  419.826   21.668 -23.43176 41.87784 
1 1 1  -40   20   13 o   74.734   9.2917  2330.45  551.661  3253.11  1913.84  2246.84  576.114   84.600   25.641   73.215   9.9486 11.38482 27.50295 
1 1 1  -40   20   14 o  106.098   8.5739  4660.26  732.314  6951.49  2237.25  4385.31  775.008  123.431   23.174  102.698   9.3983 20.73335 25.00730 
1 1 1  -40   20   15 o  143.109   9.4216  8512.42  1088.67 11597.03  2817.33  7970.98  1180.36  159.371   22.389  138.032   10.613 21.33850 24.77717 
1 1 1  -40   20   16 o  147.471   10.212  9115.83  1215.25  5759.99  3061.98  9743.26  1323.99  102.857   32.644  152.211   10.783 -49.35389 34.37822 
1 1 1  -40   20   17 o  110.012   10.041  5113.00  887.033  5014.84  2724.26  5124.64  938.157   94.897   30.859  109.874   10.649 -14.97717 32.64460 
1 1 1  -40   20   18 o   28.379   12.468 -78.7337  553.872 -199.3950  2331.20 -71.5149  570.200   53.342   24.323   28.881   12.671 24.46077 27.42546 
1 1 1  -40   20   19 o  106.830   11.189  4971.58  956.135  6830.34  3147.15  4782.57  1003.57   98.991   33.206  104.181   12.088 -5.190628 35.33809 
1 1 1  -40   20   20 o   27.051   13.209 -1433.8320  953.697 -389.1150  2757.70 -1575.7531  1016.41   51.351   24.392   27.601   13.512 23.74937 27.88414 
1 1 1  -40   20   21 o   92.813   21.022  4950.67  1547.48  3127.49  3309.01  5461.02  1750.72   60.876   28.199   94.611   23.011 -33.73458 36.39651 
1 1 1  -40   20   22 f   36.794   16.378  327.811  986.259 -788.1721  3634.12  416.541  1024.72   45.398   22.770   37.903   16.792 7.495049 28.29173 
1 1 1  -40   22    1 o  233.936   15.914 22541.03  3004.95   0.0000   0.0000 22541.03  3004.95  ?   ?   233.936   15.914 0.000000 15.91440 
1 1 1  -40   22    2 o  316.566   18.665 41397.89  4776.40   0.0000   0.0000 41397.89  4776.40  ?   ?   316.566   18.665 0.000000 18.66480 
1 1 1  -40   22    3 o  497.698   22.560 102727.70  9116.80 100024.60 16446.92 103926.60 10953.67  476.632   42.959  497.546   27.217 -20.91379 50.85511 
1 1 1  -40   22    4 o  365.388   21.318 55478.20  6297.31   0.0000   0.0000 55478.20  6297.31  ?   ?   365.388   21.318 0.000000 21.31826 
1 1 1  -40   22    5 o  379.643   18.424 59467.64  5679.38 53004.25 10167.41 62398.98  6847.20  348.856   36.432  387.046   21.877 -38.19000 42.49579 
1 1 1  -40   22    6 o  386.393   21.716 62300.09  6785.56 61284.98 10242.19 63094.20  9058.86  376.047   33.909  384.697   29.220 -8.649719 44.76125 
1 1 1  -40   22    7 o  500.708   27.067 106482.90 10963.28 105124.60 16121.52 107651.40 14953.14  483.498   41.466  493.534   37.597 -10.03592 55.97337 
1 1 1  -40   22    8 o  195.755   14.222 15854.54  2245.11 15103.74  3725.28 16282.78  2813.45  187.393   25.115  197.383   17.744 -9.990387 30.75101 
1 1 1  -40   22    9 o  111.966   13.865  5246.41  1233.58  2943.83  2332.48  6140.56  1453.50   84.316   28.586  120.939   15.133 -36.62314 32.34403 
1 1 1  -40   22   10 o  234.964   16.093 23117.44  3051.85 20116.53  4872.14 25055.18  3915.09  212.013   29.067  242.663   20.050 -30.64920 35.31147 
1 1 1  -40   22   11 o   71.646   16.932  2242.95  969.437  2999.90  1962.62  1998.67  1114.95   82.309   26.136   67.635   19.334 14.67379 32.50953 
1 1 1  -40   22   12 o   16.344   7.7252 -311.8273  270.148 -310.4150  1811.77 -311.8594  273.202   50.540   22.362   16.476   7.7819 34.06367 23.67733 
1 1 1  -40   22   13 o   24.378   10.258   36.372  345.352 -2558.3640  2208.69  101.399  349.652   44.733   21.409   25.707   10.524 19.02622 23.85558 
1 1 1  -40   22   14 o  162.657   9.7253 11004.51  1278.55 11831.98  3555.93 10881.65  1370.18  155.124   29.306  161.421   10.511 -6.296982 31.13381 
1 1 1  -40   22   15 o   45.433   12.732  900.128  488.540 -1484.8311  2481.55  996.290  498.292   51.258   23.971   47.678   12.659 3.580029 27.10793 
1 1 1  -40   22   16 o  104.309   9.9364  4594.34  831.396  6212.25  3098.82  4468.85  863.038  103.927   32.824  102.634   10.504 1.293365 34.46382 
1 1 1  -40   22   17 o   86.468   10.976  3221.79  753.245 -1968.8760  3158.47  3534.81  775.624   53.730   25.684   90.732   10.736 -37.00186 27.83777 
1 1 1  -40   22   18 o   43.762   14.776  837.877  623.174  3325.26  2586.56  684.597  642.088   74.749   29.287   41.121   14.914 33.62760 32.86560 
1 1 1  -40   22   19 o   57.088   19.903  1668.67  1133.16  3662.84  3524.47  1438.77  1196.70   70.863   31.280   54.152   20.234 16.71119 37.25394 
1 1 1  -40   22   20 f   32.393   15.414 -812.8273  1110.60   31.646  3629.15 -900.0842  1166.57   53.182   25.925   32.782   15.653 20.40000 30.28422 
1 1 1  -40   22   21 o   43.762   18.334  930.429  1095.34 -2019.1630  4190.28  1146.76  1134.80   46.218   23.342   46.096   18.925 0.1226425 30.05024 
1 1 1  -40   24    1 o   97.064   15.572  3967.56  1185.79   0.0000   0.0000  3967.56  1185.79  ?   ?    97.064   15.572 0.000000 15.57209 
1 1 1  -40   24    2 o  415.156   23.362 72267.48  7843.28   0.0000   0.0000 72267.48  7843.28  ?   ?   415.156   23.362 0.000000 23.36238 
1 1 1  -40   24    3 o  471.856   25.377 93968.39  9687.03   0.0000   0.0000 93968.39  9687.03  ?   ?   471.856   25.377 0.000000 25.37706 
1 1 1  -40   24    4 o  157.544   14.211 10281.40  1798.36  4510.15  3831.08 11912.50  2036.70  104.901   36.595  169.502   14.952 -64.60158 39.53142 
1 1 1  -40   24    5 o  160.071   13.463 10601.76  1733.52  9750.18  3671.74 10846.03  1966.49  147.611   31.589  161.514   15.173 -13.90248 35.04403 
1 1 1  -40   24    6 o   54.638   16.495  1248.51  793.225 -428.8969  2056.27  1541.76  859.771   54.350   23.947   60.126   16.905 -5.776569 29.31254 
1 1 1  -40   24    7 f  145.891   14.396  8880.48  1683.04  7374.10  3304.25  9408.23  1955.76  126.746   32.079  149.632   16.364 -22.88527 36.01156 
1 1 1  -40   24    8 o  260.231   18.090 28555.15  3798.56 23721.00  6233.02 31411.33  4791.05  225.950   35.114  270.640   21.992 -44.69035 41.43270 
1 1 1  -40   24    9 o   38.486   15.136  372.312  693.152 -2151.6230  1993.99  719.225  739.255   43.977   20.846   44.656   16.029 -0.6796303 26.29582 
1 1 1  -40   24   10 o  202.336   15.924 17327.15  2595.08 14237.43  4451.89 18917.35  3193.81  172.320   33.020  209.729   18.960 -37.40891 38.07610 
1 1 1  -40   24   11 o  144.449   15.121  8882.16  1747.24  6046.04  3295.80  9990.84  2060.64  110.048   33.709  152.417   16.937 -42.36924 37.72484 
1 1 1  -40   24   12 o  145.418   9.7413  8782.83  1143.56  3746.83  3582.08  9354.33  1206.70   90.474   34.733  150.018   9.9631 -59.54372 36.13326 
1 1 1  -40   24   13 o  181.308   10.076 13698.55  1477.46 17874.93  4181.07 13102.63  1579.36  192.693   27.503  176.846   11.054 15.84659 29.64168 
1 1 1  -40   24   14 o  108.128   9.7319  4905.25  845.271 -2345.2849  3074.22  5498.21  879.156   54.098   25.713  114.594   9.5351 -60.49641 27.42436 
1 1 1  -40   24   15 o   53.968   11.698  1278.21  497.807  1247.51  3150.26  1278.99  504.141   68.406   29.902   53.948   11.834 14.45831 32.15895 
1 1 1  -40   24   16 o  135.011   10.116  7735.92  1100.95  7890.33  4137.28  7724.15  1142.13  105.263   37.904  134.668   10.529 -29.40451 39.33950 
1 1 1  -40   24   17 o   89.913   11.698  3545.42  833.830  956.259  3950.14  3666.17  853.052   65.572   30.523   91.411   11.766 -25.83900 32.71240 
1 1 1  -40   24   18 o   35.745   15.931 -58.0318  936.146 -502.5638  3895.03 -30.7790  964.416   57.409   27.719   36.441   16.210 20.96843 32.11057 
1 1 1  -40   24   19 o   53.054   21.125  1488.90  1365.84  2666.92  4471.34  1367.67  1434.40   61.435   29.671   52.009   21.306 9.426342 36.52860 
1 1 1  -40   24   20 f   38.410   17.686   56.173  1273.40 -3164.1931  4673.88  314.383  1323.46   46.756   23.728   40.538   18.423 6.218159 30.04060 
1 1 1  -40   26    1 o  261.387   18.795 28684.17  3962.46   0.0000   0.0000 28684.17  3962.46  ?   ?   261.387   18.795 0.000000 18.79543 
1 1 1  -40   26    2 o  227.949   17.844 21788.60  3276.36   0.0000   0.0000 21788.60  3276.36  ?   ?   227.949   17.844 0.000000 17.84421 
1 1 1  -40   26    3 o  363.602   21.913 56157.00  6439.33   0.0000   0.0000 56157.00  6439.33  ?   ?   363.602   21.913 0.000000 21.91340 
1 1 1  -40   26    4 o  133.315   14.707  7448.53  1565.53  7531.81  3972.43  7433.21  1703.39  126.274   36.612  132.762   16.133 -6.488007 40.00881 
1 1 1  -40   26    5 o  172.206   14.929 12406.01  2066.86 12486.36  4408.30 12383.38  2340.00  163.257   34.344  171.288   17.051 -8.031723 38.34364 
1 1 1  -40   26    6 o   92.267   29.641  3812.05  2518.80  4665.48  3156.60  2316.26  4179.00  101.069   33.234   88.998   36.402 12.07104 49.29150 
1 1 1  -40   26    7 o  187.161   15.152 14732.14  2282.92 12105.71  4627.06 15577.20  2624.61  156.838   36.943  191.621   17.047 -34.78369 40.68626 
1 1 1  -40   26    8 o  172.288   16.243 12611.79  2245.41 10343.36  4397.53 13411.80  2611.50  142.979   37.438  176.584   18.488 -33.60489 41.75366 
1 1 1  -40   26    9 o  133.338   16.143  7621.08  1712.12  5424.77  3756.65  8196.89  1923.50  104.761   36.255  137.681   17.609 -32.91947 40.30537 
1 1 1  -40   26   10 o  210.100   16.185 18892.30  2739.78 23250.64  5105.21 17129.31  3246.97  221.421   29.101  196.915   20.613 24.50548 35.66176 
1 1 1  -40   26   11 f   72.840   18.407  2394.45  1089.13  4433.32  2954.03  2073.70  1171.67   94.108   32.168   67.776   19.951 26.33209 37.85273 
1 1 1  -40   26   12 o   77.234   18.669  2723.30  1157.80  2398.21  3062.62  2777.51  1250.61   77.419   31.351   77.611   19.786 -0.1927567 37.07249 
1 1 1  -40   26   13 o  108.760   13.389  5112.11  1157.40 23082.97  3141.70  2290.14  1244.96  228.614   17.047   69.935   20.559 158.6783 26.70762 
1 1 1  -40   26   14 o  115.548   9.4295  5617.23  876.971  6458.45  3698.58  5567.12  902.714  101.446   35.911  114.881   9.7702 -13.43568 37.21661 
1 1 1  -40   26   15 o   38.458   12.611  625.456  454.596  673.979  3272.21  624.501  459.047   63.946   29.026   38.474   12.675 25.47211 31.67280 
1 1 1  -40   26   16 o   90.291   11.029  3550.95  791.773  8953.14  3873.77  3315.42  808.849  108.223   36.838   86.804   11.780 21.41909 38.67576 
1 1 1  -40   26   17 o   71.869   22.962  2924.01  1513.11  7925.05  4129.68  2148.52  1626.20   90.302   36.462   62.401   23.533 27.90087 43.39715 
1 1 1  -40   26   18 o   52.428   21.252  1419.41  1408.84 -2216.9709  4817.06  1759.55  1473.26   52.884   26.479   55.843   22.033 -2.959389 34.44700 
1 1 1  -40   26   19 o   38.628   17.871   1.1857  1322.72 -1918.7760  5440.86  121.786  1363.63   49.736   25.277   39.732   18.297 10.00449 31.20440 
1 1 1  -40   28    1 o  187.035   18.300 14897.02  2743.51   0.0000   0.0000 14897.02  2743.51  ?   ?   187.035   18.300 0.000000 18.29980 
1 1 1  -40   28    2 o  208.753   18.477 18563.03  3099.54   0.0000   0.0000 18563.03  3099.54  ?   ?   208.753   18.477 0.000000 18.47717 
1 1 1  -40   28    3 o  169.431   17.951 12254.82  2431.94   0.0000   0.0000 12254.82  2431.94  ?   ?   169.431   17.951 0.000000 17.95094 
1 1 1  -40   28    4 o  177.118   36.852 15412.57  5127.30   0.0000   0.0000 15412.57  5127.30  ?   ?   177.118   36.852 0.000000 36.85211 
1 1 1  -40   28    5 o   70.698   28.032  1564.36  2395.77  2158.40  3430.28  998.659  3347.48   82.054   33.197   74.644   31.701 7.410202 45.90209 
1 1 1  -40   28    6 o   46.466   17.488  711.607  897.023 -1583.0520  3149.61  914.166  935.778   60.170   27.745   49.832   18.015 10.33802 33.08046 
1 1 1  -40   28    7 o  209.002   17.049 18721.05  2867.97 15747.69  6263.02 19509.97  3226.09  166.384   45.190  212.108   18.931 -45.72331 48.99480 
1 1 1  -40   28    8 o  108.103   16.982  5102.25  1441.50  3530.23  3581.86  5406.07  1574.65   89.451   34.625  110.824   18.126 -21.37305 39.08261 
1 1 1  -40   28    9 o  134.764   16.784  7907.96  1796.79 11525.55  4402.27  7184.86  1968.19  146.107   37.053  126.770   19.766 19.33739 41.99570 
1 1 1  -40   28   10 o  121.448   17.581  6527.73  1683.27  6388.17  4505.01  6550.38  1814.70  105.610   39.299  120.775   19.144 -15.16493 43.71337 
1 1 1  -40   28   11 o   57.963   20.369  1427.45  1187.95  3062.20  3350.10  1192.33  1270.51   81.802   32.908   55.606   20.835 26.19670 38.94851 
1 1 1  -40   28   12 o  148.485   17.453  9892.71  2064.07 12593.45  4933.01  9319.53  2272.57  138.723   40.966  141.780   20.322 -3.057022 45.72924 
1 1 1  -40   28   13 o   15.437   7.4110 -381.6516  269.281  950.149  3304.11 -390.5567  270.180   66.583   29.783   15.383   7.3952 51.19936 30.68707 
1 1 1  -40   28   14 o   63.638   10.102  1752.78  504.550 -8314.9688  4593.34  1875.73  507.622   50.351   25.301   66.002   9.7670 -15.65032 27.12085 
1 1 1  -40   28   15 o  104.534   19.865  5439.56  1624.48  4937.43  4762.41  5505.67  1728.13   78.994   35.514  103.836   21.214 -24.84187 41.36737 
1 1 1  -40   28   16 o  126.179   21.868  8531.13  2159.31  8350.21  5512.09  8563.93  2346.88   81.288   37.194  122.831   24.391 -41.54379 44.47870 
1 1 1  -40   28   17 o   80.867   24.917  4301.84  1797.71 -650.4219  5354.55  4930.96  1908.48   55.570   27.838   86.284   25.481 -30.71339 37.73880 
1 1 1  -40   28   18 o   50.785   21.672  1581.31  1578.10 -6617.1699  5466.04  2326.82  1648.29   45.344   23.234   56.916   23.017 -11.57222 32.70453 
1 1 1  -40   30    1 o  123.889   36.358  7819.63  3896.51   0.0000   0.0000  7819.63  3896.51  ?   ?   123.889   36.358 0.000000 36.35826 
1 1 1  -40   30    2 o   98.014   35.213  4540.82  3568.66   0.0000   0.0000  4540.82  3568.66  ?   ?    98.014   35.213 0.000000 35.21288 
1 1 1  -40   30    3 o  146.481   20.001  9434.81  2316.74   0.0000   0.0000  9434.81  2316.74  ?   ?   146.481   20.001 0.000000 20.00134 
1 1 1  -40   30    4 o  132.782   19.911  7793.60  2080.52   0.0000   0.0000  7793.60  2080.52  ?   ?   132.782   19.911 0.000000 19.91097 
1 1 1  -40   30    5 o   31.134   14.074 -363.1105  759.966  -9.3423  4195.41 -375.1124  772.750   74.362   33.390   31.331   14.175 43.03188 36.27428 
1 1 1  -40   30    6 o  155.714   18.021 10604.78  2236.41 12627.88  6220.52 10304.47  2396.65  141.717   46.657  152.346   19.846 -10.62915 50.70226 
1 1 1  -40   30    7 o   67.186   21.666  2022.49  1344.81  3178.12  4411.50  1904.10  1412.01   88.285   36.875   65.860   22.242 22.42548 43.06355 
1 1 1  -40   30    8 o   30.883   14.516 -880.5594  929.911 -3527.0320  3960.73 -726.1672  956.652   59.124   28.395   32.506   15.094 26.61884 32.15724 
1 1 1  -40   30    9 o  121.950   19.437  6766.46  1860.06 11320.19  5264.15  6116.81  1988.32  131.177   42.908  113.963   22.286 17.21437 48.35015 
1 1 1  -40   30   10 o  125.812   18.955  7233.34  1876.30  9871.54  4954.97  6791.72  2027.26  120.186   41.635  119.913   21.616 0.2727432 46.91232 
1 1 1  -40   30   11 o   77.674   22.999  2999.88  1553.11  6570.72  5391.16  2676.71  1621.86   96.170   40.503   73.411   23.806 22.75883 46.98110 
1 1 1  -40   30   12 o   53.090   21.093  1042.09  1359.03  990.014  4559.04  1047.17  1423.76   70.712   32.874   53.665   21.501 17.04692 39.28066 
1 1 1  -40   30   13 o  162.423   20.587 12959.97  2654.18 10373.41  6866.23 13414.37  2877.89   94.677   42.596  162.870   22.351 -68.19260 48.10419 
1 1 1  -40   30   14 o  100.051   23.159  5440.15  1844.25 -5786.4468  5422.37  6908.74  1961.17   54.954   27.597  114.892   21.821 -59.93788 35.18140 
1 1 1  -40   30   15 o   95.137   24.337  5382.82  1887.55  293.245  5773.37  5991.96  1997.31   60.761   30.194  100.178   24.709 -39.41729 39.01533 
1 1 1  -40   30   16 f   40.652   18.622   56.764  1387.10 -10342.5498  5782.26  691.754  1428.82   45.971   23.578   45.339   19.970 0.6319427 30.89847 
1 1 1  -40   30   17 o   59.039   23.986  2793.92  1799.08  1442.84  6642.52  2900.88  1868.94   51.904   26.516   59.414   24.328 -7.510761 35.98558 
1 1 1  -40   32    1 o  190.191   22.483 16379.34  3404.79   0.0000   0.0000 16379.34  3404.79  ?   ?   190.191   22.483 0.000000 22.48257 
1 1 1  -40   32    2 f  136.846   23.235  8631.86  2489.42   0.0000   0.0000  8631.86  2489.42  ?   ?   136.846   23.235 0.000000 23.23509 
1 1 1  -40   32    3 o  149.267   22.042 10160.11  2591.13   0.0000   0.0000 10160.11  2591.13  ?   ?   149.267   22.042 0.000000 22.04207 
1 1 1  -40   32    4 f   47.398   20.078  280.810  1337.17   0.0000   0.0000  280.810  1337.17  ?   ?    47.398   20.078 0.000000 20.07790 
1 1 1  -40   32    5 o   81.010   23.659  3127.91  1653.53   0.0000   0.0000  3127.91  1653.53  ?   ?    81.010   23.659 0.000000 23.65940 
1 1 1  -40   32    6 o  239.861   20.695 26149.00  3991.03 37908.48 10056.38 23950.60  4348.12  224.566   55.476  225.295   24.145 -0.7289886 60.50292 
1 1 1  -40   32    7 o  193.232   20.263 17080.75  3131.90 14456.51  8352.59 17510.07  3378.39  125.207   51.367  193.965   21.830 -68.75839 55.81358 
1 1 1  -40   32    8 o  130.095   21.450  7996.56  2186.86  5134.36  7105.65  8296.03  2298.42   92.889   42.398  131.861   22.260 -38.97243 47.88620 
1 1 1  -40   32    9 o   50.245   20.434  757.921  1307.36 -2360.6399  6702.33  881.273  1332.97   72.473   35.307   51.751   20.779 20.72197 40.96806 
1 1 1  -40   32   10 f   50.951   21.170  742.194  1443.10 -1793.0170  6230.22  885.925  1483.44   69.681   33.968   52.628   21.626 17.05273 40.26782 
1 1 1  -40   32   11 o   69.463   23.176  2520.08  1533.02  4026.37  6531.53  2432.27  1577.08   78.985   37.524   68.306   23.499 10.67825 44.27485 
1 1 1  -40   32   12 o   62.014   22.885  2000.32  1521.39  5834.60  7381.29  1830.20  1554.77   77.454   37.578   60.222   22.938 17.23206 44.02600 
1 1 1  -40   32   13 o   55.649   22.075  1550.92  1486.24  2060.14  7638.58  1530.88  1515.20   66.515   33.310   55.523   22.203 10.99171 40.03181 
1 1 1  -40   32   14 o  100.040   25.891  6447.40  2119.32  1079.94  8534.54  6800.13  2187.85   60.647   30.902  102.418   26.202 -41.77070 40.51546 
1 1 1  -40   32   15 o   53.213   22.593  1771.01  1699.40  777.722  7099.98  1831.37  1750.27   54.619   27.862   53.649   22.857 0.9700623 36.03821 
1 1 1  -40   34    1 o   66.264   25.697  1773.94  1975.56   0.0000   0.0000  1773.94  1975.56  ?   ?    66.264   25.697 0.000000 25.69674 
1 1 1  -40   34    2 o  123.179   27.610  7686.42  2693.18   0.0000   0.0000  7686.42  2693.18  ?   ?   123.179   27.610 0.000000 27.61018 
1 1 1  -40   34    3 o   43.308   19.958 -813.9893  1626.25   0.0000   0.0000 -813.9893  1626.25  ?   ?    43.308   19.958 0.000000 19.95792 
1 1 1  -40   34    4 o   60.447   23.048  1486.19  1570.75   0.0000   0.0000  1486.19  1570.75  ?   ?    60.447   23.048 0.000000 23.04833 
1 1 1  -40   34    5 f   53.029   22.417  621.534  1661.40   0.0000   0.0000  621.534  1661.40  ?   ?    53.029   22.417 0.000000 22.41693 
1 1 1  -40   34    6 o  106.876   25.626  5894.44  2195.02   0.0000   0.0000  5894.44  2195.02  ?   ?   106.876   25.626 0.000000 25.62588 
1 1 1  -40   34    7 o   40.188   18.353 -480.6195  1333.60 13876.66  6870.59 -1042.7220  1359.46  116.930   47.095   37.258   17.524 79.67236 50.25015 
1 1 1  -40   34    8 o   52.340   22.123  761.798  1617.77  4956.54  8118.23  588.333  1650.88   83.162   40.119   51.282   22.032 31.88004 45.77042 
1 1 1  -40   34    9 o  100.753   24.787  5525.19  2013.92 -6171.0151  8766.03  6176.93  2069.26   66.652   33.674  107.378   24.300 -40.72503 41.52659 
1 1 1  -40   34   10 o   72.574   25.427  3081.73  1850.53 11647.78  8541.34  2659.84  1895.55   84.536   40.872   68.114   25.463 16.42139 48.15441 
1 1 1  -40   34   11 o   76.989   24.829  3609.71  1766.04  2798.34  8428.34  3646.97  1806.13   67.459   33.947   77.003   25.130 -9.544151 42.23700 
1 1 1  -40   34   12 f   36.798   17.240 -528.9146  1293.82 11174.68  7461.19 -891.7496  1313.72   72.996   35.910   35.127   16.728 37.86977 39.61530 
1 1 1  -40   34   13 o   62.997   24.881  2919.80  1880.53  1457.52  8300.93  2998.91  1930.73   56.764   29.050   63.352   25.150 -6.588402 38.42472 
1 1 1  -40   36    1 o   80.637   30.439  3680.55  2722.33   0.0000   0.0000  3680.55  2722.33  ?   ?    80.637   30.439 0.000000 30.43913 
1 1 1  -40   36    2 o   64.654   26.793  1713.20  2302.93   0.0000   0.0000  1713.20  2302.93  ?   ?    64.654   26.793 0.000000 26.79303 
1 1 1  -40   36    3 o  116.149   31.951  8145.33  3107.53   0.0000   0.0000  8145.33  3107.53  ?   ?   116.149   31.951 0.000000 31.95054 
1 1 1  -40   36    4 o  115.271   31.175  8014.04  2988.15   0.0000   0.0000  8014.04  2988.15  ?   ?   115.271   31.175 0.000000 31.17504 
1 1 1  -40   36    5 o   59.952   24.779  1498.66  1962.12   0.0000   0.0000  1498.66  1962.12  ?   ?    59.952   24.779 0.000000 24.77858 
1 1 1  -40   36    6 o   53.153   22.808  849.467  1765.43   0.0000   0.0000  849.467  1765.43  ?   ?    53.153   22.808 0.000000 22.80835 
1 1 1  -40   36    7 o  102.706   28.702  6570.98  2486.27  6825.24 11438.74  6558.37  2547.17   75.823   38.326  101.629   29.274 -25.80536 48.22736 
1 1 1  -40   36    8 f   48.181   21.401  458.914  1674.97 14538.92 10115.82   62.009  1698.41   79.954   39.770   45.900   20.864 34.05367 44.91092 
1 1 1  -40   36    9 o   47.861   21.706  381.486  1824.75 17044.50 11474.48 -50.8469  1848.27   74.219   37.613   45.689   21.133 28.52931 43.14355 
1 1 1  -40   36   10 o  100.246   29.015  7344.68  2496.87 14596.79 11368.63  6977.13  2559.36   67.205   34.362   95.154   29.798 -27.94890 45.48307 
1 1 1  -40   36   11 o   78.732   27.872  5120.48  2228.00  7749.95 12627.70  5036.00  2263.51   58.527   30.223   77.344   28.009 -18.81668 41.20596 
1 1 1  -40   38    1 o   83.575   33.398  5580.42  3425.75   0.0000   0.0000  5580.42  3425.75  ?   ?    83.575   33.398 0.000000 33.39806 
1 1 1  -40   38    2 o   81.027   31.477  4886.14  2968.30   0.0000   0.0000  4886.14  2968.30  ?   ?    81.027   31.477 0.000000 31.47687 
1 1 1  -40   38    3 o   65.863   28.546  2602.95  2819.94   0.0000   0.0000  2602.95  2819.94  ?   ?    65.863   28.546 0.000000 28.54605 
1 1 1  -40   38    4 o   51.860   23.707  470.302  2232.40   0.0000   0.0000  470.302  2232.40  ?   ?    51.860   23.707 0.000000 23.70717 
1 1 1  -40   38    5 o   79.802   31.748  5431.90  3082.45   0.0000   0.0000  5431.90  3082.45  ?   ?    79.802   31.748 0.000000 31.74764 
1 1 1  -40   38    6 o   46.197   21.915 -440.1837  2211.87   0.0000   0.0000 -440.1837  2211.87  ?   ?    46.197   21.915 0.000000 21.91503 
1 1 1  -40   38    7 o   63.251   27.518  3116.89  2640.25   0.0000   0.0000  3116.89  2640.25  ?   ?    63.251   27.518 0.000000 27.51779 
1 1 1  -39    1    1 o  440.423   22.437 79207.23  7997.12 80824.55 11311.62 77591.06 11307.66  443.667   31.607  434.547   32.278 9.119415 45.17593 
1 1 1  -39    1    3 o  703.775   48.591 205305.30 27596.82 205305.30 27596.82   0.0000   0.0000  703.775   48.591  ?   ?  0.000000 48.59096 
1 1 1  -39    1    4 o  125.518   7.9058  6424.56  801.615  5691.30  1147.42  7123.66  1120.38  117.705   12.182  131.988   10.542 -14.28213 16.11021 
1 1 1  -39    1    5 o  530.936   25.664 115098.90 11063.61 114925.00 15675.70 115271.60 15617.09  527.714   36.815  528.561   36.614 -0.8479004 51.92220 
1 1 1  -39    1    6 o  314.081   15.988 40261.67  4063.88 37631.46  5771.30 42848.40  5723.39  302.641   23.675  323.310   21.932 -20.66913 32.27203 
1 1 1  -39    1    7 o  567.628   39.810 134269.70 18231.91   0.0000   0.0000 134269.70 18231.91  ?   ?   567.628   39.810 0.000000 39.80951 
1 1 1  -39    1    8 o  126.646   7.1194  6538.12  729.138  3385.98  1330.22  7891.93  871.766   89.374   18.920  139.135   7.7473 -49.76051 20.44479 
1 1 1  -39    1    9 o   75.421   5.0345  2320.99  306.538  2207.06  438.962  2429.43  428.258   73.306   7.4795   77.006   6.9233 -3.699348 10.19192 
1 1 1  -39    1   10 o  250.652   8.7548 25556.41  1781.79 26043.15  2520.70 25070.34  2518.97  252.788   12.281  247.685   12.566 5.103348 17.57075 
1 1 1  -39    1   11 o  160.090   10.270 10479.26  1327.95  9699.62  1889.29 11240.55  1866.93  153.290   15.387  165.337   14.039 -12.04694 20.82910 
1 1 1  -39    1   12 o  398.057   13.999 64749.41  4524.54 66481.64  6398.78 63017.30  6398.57  402.091   19.599  390.812   20.233 11.27911 28.16926 
1 1 1  -39    1   13 o  144.765   6.6010  8522.65  775.911  8201.48  1085.20  8858.55  1109.82  141.567   9.4958  147.172   9.3357 -5.604843 13.31637 
1 1 1  -39    1   14 o  513.211   17.709 108484.90  7379.61 106575.20 10432.97 110397.10 10439.73  504.185   25.568  514.064   25.011 -9.878906 35.76730 
1 1 1  -39    1   15 o  234.244   9.2359 22381.67  1756.65 22199.42  2474.34 22566.88  2494.35  232.363   13.169  234.285   13.166 -1.921280 18.62113 
1 1 1  -39    1   16 o  211.939   8.7930 18334.23  1513.17 18516.41  2133.62 18149.87  2146.33  212.068   12.445  209.902   12.652 2.165665 17.74751 
1 1 1  -39    1   17 o   83.903   6.5765  2887.40  444.444  2830.93  599.210  2956.47  662.644   82.690   9.0737   84.381   9.8573 -1.691208 13.39769 
1 1 1  -39    1   18 o  143.700   7.4305  8472.48  864.022  8279.42  1213.32  8671.11  1230.69  141.268   10.656  144.617   10.554 -3.349213 14.99773 
1 1 1  -39    1   19 o   92.492   6.9529  3525.94  518.348  3242.26  721.962  3827.75  744.675   87.872   10.315   95.735   9.7144 -7.863380 14.16923 
1 1 1  -39    1   20 f   74.015   7.2768  2275.41  431.669  2353.37  604.689  2194.39  616.425   74.481   10.272   71.673   10.939 2.808792 15.00580 
1 1 1  -39    1   21 o  139.292   7.6766  8054.60  864.877  8339.53  1202.53  7749.28  1244.81  140.346   10.631  134.802   11.482 5.543457 15.64830 
1 1 1  -39    1   22 f  103.956   7.7450  4523.60  649.057  4884.92  903.051  4137.49  933.516  106.712   10.561   97.344   12.070 9.367729 16.03763 
1 1 1  -39    1   23 o   55.383   10.321  1355.72  447.053  1130.42  655.465  1551.68  611.300   49.130   15.030   58.001   13.268 -8.871662 20.04854 
1 1 1  -39    1   24 o   65.924   9.5393  1919.10  495.775  1669.95  679.161  2203.31  725.382   58.573   14.385   68.114   13.592 -9.540440 19.79072 
1 1 1  -39    1   25 o   29.819   11.247  352.874  371.431 -109.8183  503.090  907.279  550.698   25.361   11.459   42.439   13.878 -17.07822 17.99729 
1 1 1  -39    3    1 o  642.615   45.335 170756.30 23503.36   0.0000   0.0000 170756.30 23503.36  ?   ?   642.615   45.335 0.000000 45.33519 
1 1 1  -39    3    2 o  923.657   64.258 357727.41 47892.35 357727.41 47892.35   0.0000   0.0000  923.657   64.258  ?   ?  0.000000 64.25838 
1 1 1  -39    3    3 f  870.848   60.625 317511.00 42600.88 317511.00 42600.88   0.0000   0.0000  870.848   60.625  ?   ?  0.000000 60.62544 
1 1 1  -39    3    4 o  142.137   12.723  8278.25  1452.82  8278.25  1452.82   0.0000   0.0000  142.137   12.723  ?   ?  0.000000 12.72287 
1 1 1  -39    3    5 o  490.344   34.336 99145.63 13584.25 99145.63 13584.25   0.0000   0.0000  490.344   34.336  ?   ?  0.000000 34.33569 
1 1 1  -39    3    6 o  870.698   34.372 311958.81 24300.39 296744.81 42172.74 319521.00 29732.48  834.265   62.716  878.423   41.686 -44.15784 75.30615 
1 1 1  -39    3    7 o  412.839   16.539 69470.82  5544.01 68027.48  9685.37 70174.20  6761.25  405.715   29.605  414.532   20.088 -8.817017 35.77672 
1 1 1  -39    3    8 o  316.672   12.860 40838.03  3306.59 43072.03  5804.62 39764.86  4023.16  323.488   22.234  311.824   15.943 11.66370 27.35957 
1 1 1  -39    3    9 o   63.553   6.4495  1658.19  328.200  1938.02  694.271  1577.66  372.443   67.823   13.081   61.837   7.5763 5.986141 15.11681 
1 1 1  -39    3   10 o  363.848   14.518 54040.65  4289.05 59020.15  7495.93 51616.84  5229.76  377.565   24.585  354.584   18.226 22.98114 30.60418 
1 1 1  -39    3   11 o  560.252   19.636 128881.00  8932.38 129872.30 12629.67 127888.80 12634.92  559.245   27.813  554.137   28.174 5.107788 39.58983 
1 1 1  -39    3   12 o  681.626   23.221 192088.91 12852.06 188407.50 18170.95 195774.00 18180.18  667.752   33.622  682.020   32.829 -14.26794 46.99122 
1 1 1  -39    3   13 o  509.844   18.176 106922.00  7524.46 106517.10 10632.68 107328.20 10649.71  504.828   26.028  506.785   25.968 -1.956970 36.76672 
1 1 1  -39    3   14 o   33.049   9.0787  458.935  251.107  369.970  351.960  551.167  358.364   31.873   11.093   36.640   11.093 -4.766766 15.68826 
1 1 1  -39    3   15 o  188.041   7.9404 14406.37  1212.37 14455.84  1700.28 14355.20  1729.19  187.706   11.207  187.008   11.443 0.6984863 16.01680 
1 1 1  -39    3   16 o   20.088   8.3996   27.734  229.241   15.439  294.705   46.570  364.786   22.373   9.4486   25.345   10.596 -2.972195 14.19726 
1 1 1  -39    3   17 o  258.152   9.7413 27314.65  2041.89 26641.83  2877.08 27997.46  2898.36  253.297   14.044  259.782   13.790 -6.485428 19.68235 
1 1 1  -39    3   18 o   81.886   6.8382  2759.96  450.503  2998.94  585.773  2413.96  704.837   85.059   8.5996   75.459   11.898 9.600159 14.68041 
1 1 1  -39    3   19 o  140.387   7.3861  8112.17  838.974  8797.08  1168.25  7382.76  1205.61  145.416   9.9542  132.687   11.298 12.72888 15.05745 
1 1 1  -39    3   20 o  146.966   7.5757  8924.46  900.942  8819.92  1245.76  9039.10  1304.52  144.872   10.665  146.490   11.049 -1.618240 15.35662 
1 1 1  -39    3   21 o   90.594   7.6853  3421.49  559.989  3687.30  751.008  3088.64  840.399   93.222   10.082   84.174   12.690 9.047958 16.20804 
1 1 1  -39    3   22 o  123.588   8.0499  6401.74  803.391  5876.54  1075.28  7065.39  1208.73  116.501   11.518  127.638   11.796 -11.13743 16.48696 
1 1 1  -39    3   23 o  136.521   8.2960  7893.68  915.255  8059.01  1258.22  7707.88  1333.81  135.368   11.558  131.382   12.660 3.986771 17.14239 
1 1 1  -39    3   24 o   89.297   8.6597  3456.14  619.984  3139.34  790.836  3961.34  998.669   82.651   12.146   91.448   13.886 -8.796562 18.44888 
1 1 1  -39    3   25 o   42.072   11.554  856.107  406.747  452.556  505.680  1595.73  684.591   33.387   12.986   55.023   14.939 -21.63680 19.79395 
1 1 1  -39    5    1 o  966.862   68.264 394218.59 53246.73   0.0000   0.0000 394218.59 53246.73  ?   ?   966.862   68.264 0.000000 68.26371 
1 1 1  -39    5    6 o  233.984   10.188 22257.23  1935.60 20572.33  3446.73 23033.37  2339.31  223.759   19.156  237.650   12.164 -13.89087 22.69128 
1 1 1  -39    5    7 o  328.074   13.655 43830.75  3637.40 38793.39  6382.98 46253.27  4426.45  306.379   25.901  336.810   16.186 -30.43164 30.54233 
1 1 1  -39    5    8 o  206.085   11.270 17338.45  1878.79   0.0000   0.0000 17338.45  1878.79  ?   ?   206.085   11.270 0.000000 11.27046 
1 1 1  -39    5    9 o  649.459   25.712 173956.50 13558.70 181638.20 23552.61 170149.00 16581.97  652.093   44.754  639.614   31.929 12.47974 54.97561 
1 1 1  -39    5   10 o  297.956   12.316 36189.23  2979.71 42203.80  5224.42 33289.48  3627.58  320.052   20.208  284.978   15.738 35.07413 25.61319 
1 1 1  -39    5   11 o  277.496   11.890 31397.34  2679.08 28378.21  4698.42 32851.91  3261.21  261.488   22.344  283.595   14.163 -22.10745 26.45392 
1 1 1  -39    5   12 o  380.135   15.585 59168.62  4810.31 58333.16  8395.85 59576.88  5869.11  372.998   27.924  380.661   18.989 -7.662506 33.76888 
1 1 1  -39    5   13 o  453.789   18.368 84767.86  6768.05 85987.06 11792.64 84169.02  8264.70  449.469   32.533  450.026   22.691 -0.5570068 39.66420 
1 1 1  -39    5   14 o  116.510   6.4183  5538.82  604.843  6143.48  839.921  4887.52  871.718  122.506   8.4964  109.009   9.9586 13.49688 13.09051 
1 1 1  -39    5   15 o  278.850   10.441 31770.05  2364.13 31741.58  3323.81 31799.20  3363.31  277.457   14.807  277.661   14.973 -0.2041321 21.05846 
1 1 1  -39    5   16 o  236.904   9.3312 22935.34  1794.94 22772.27  2513.89 23104.94  2563.69  234.928   13.233  236.595   13.400 -1.667542 18.83255 
1 1 1  -39    5   17 o  168.943   7.5171 11658.58  1031.17 11014.73  1432.60 12350.79  1485.42  163.323   10.865  173.046   10.623 -9.723206 15.19523 
1 1 1  -39    5   18 o  251.758   9.9437 26135.51  2032.69 24479.31  2844.26 27864.47  2906.07  241.118   14.597  257.700   13.940 -16.58244 20.18398 
1 1 1  -39    5   19 o   94.945   7.1080  3719.13  543.993  3461.40  722.015  4057.55  827.342   90.877   9.9473   98.297   10.530 -7.420265 14.48536 
1 1 1  -39    5   20 o   61.731   7.5224  1593.16  369.251  1730.83  470.460  1372.28  595.898   63.911   9.3417   55.738   13.344 8.172390 16.28891 
1 1 1  -39    5   21 o   41.817   10.504  765.198  356.171  1089.04  407.695 -278.6154  731.946   50.005   10.381   30.745   13.863 19.25989 17.31890 
1 1 1  -39    5   22 o   56.892   8.6501  1386.05  387.002  1691.48  462.350  671.250  707.299   62.705   9.3681   41.762   15.565 20.94323 18.16704 
1 1 1  -39    5   23 o   40.382   11.045  734.375  372.582  454.160  444.458  1396.76  683.343   34.070   12.400   54.117   15.020 -20.04660 19.47765 
1 1 1  -39    5   24 o   15.241   7.4114 -475.2764  291.529 -552.8542  327.017 -174.9135  643.465   15.933   7.7705   28.430   12.892 -12.49669 15.05273 
1 1 1  -39    5   25 o   23.612   10.005   85.516  332.173   94.339  379.138   56.376  689.033   24.961   10.637   30.647   13.662 -5.685822 17.31454 
1 1 1  -39    7    1 o  305.025   23.948 38194.10  5883.46   0.0000   0.0000 38194.10  5883.46  ?   ?   305.025   23.948 0.000000 23.94772 
1 1 1  -39    7    2 o  310.076   17.168 39257.75  4305.57 42968.16  5878.92 34965.13  6323.34  323.811   22.499  291.275   27.045 32.53564 35.18054 
1 1 1  -39    7    3 o  467.855   32.916 90241.56 12424.38 90241.56 12424.38   0.0000   0.0000  467.855   32.916  ?   ?  0.000000 32.91555 
1 1 1  -39    7    4 o  257.146   19.381 27108.87  4016.90 27108.87  4016.90   0.0000   0.0000  257.146   19.381  ?   ?  0.000000 19.38104 
1 1 1  -39    7    7 o  700.279   49.796 209388.00 28129.91   0.0000   0.0000 209388.00 28129.91  ?   ?   700.279   49.796 0.000000 49.79644 
1 1 1  -39    7    8 o  406.884   20.070 67822.22  6630.66   0.0000   0.0000 67822.22  6630.66  ?   ?   406.884   20.070 0.000000 20.07001 
1 1 1  -39    7    9 o  443.517   21.861 80820.91  7872.56   0.0000   0.0000 80820.91  7872.56  ?   ?   443.517   21.861 0.000000 21.86087 
1 1 1  -39    7   10 o  599.029   29.663 149307.00 14427.86   0.0000   0.0000 149307.00 14427.86  ?   ?   599.029   29.663 0.000000 29.66302 
1 1 1  -39    7   11 o  372.778   18.794 57198.27  5670.46   0.0000   0.0000 57198.27  5670.46  ?   ?   372.778   18.794 0.000000 18.79447 
1 1 1  -39    7   12 f  421.967   21.064 73483.30  7216.97   0.0000   0.0000 73483.30  7216.97  ?   ?   421.967   21.064 0.000000 21.06387 
1 1 1  -39    7   13 o  109.076   7.7120  4866.77  678.619  7268.75  1400.86  4130.25  775.716  132.666   13.179  100.202   9.6537 32.46359 16.33651 
1 1 1  -39    7   14 o  239.877   10.776 23500.46  2098.85 24844.02  3774.04 22898.87  2525.40  244.363   19.175  236.071   13.228 8.291168 23.29513 
1 1 1  -39    7   15 f  303.949   12.958 37900.96  3197.88 41169.54  5670.07 36376.29  3872.55  312.807   22.474  296.505   16.146 16.30234 27.67257 
1 1 1  -39    7   16 o  154.033   8.8014  9725.37  1096.22 10904.82  2162.34  9317.38  1271.77  161.214   16.764  150.455   10.476 10.75970 19.76799 
1 1 1  -39    7   17 o  108.522   6.5673  4823.64  575.964  4256.76  766.649  5558.19  872.685  101.431   9.4161  116.031   9.3420 -14.60008 13.26409 
1 1 1  -39    7   18 o   57.999   7.5743  1401.83  348.180  1140.48  417.070  2002.82  632.459   51.657   10.305   68.518   11.794 -16.86044 15.66130 
1 1 1  -39    7   19 o   91.484   7.1532  3457.28  527.122  3792.49  697.959  3012.26  804.205   95.346   9.1270   83.970   12.148 11.37610 15.19471 
1 1 1  -39    7   20 o   40.114   8.9904  693.875  285.580  873.065  347.294  319.703  501.851   44.927   9.7965   33.304   12.941 11.62291 16.23108 
1 1 1  -39    7   21 o   84.412   7.7231  2979.38  523.466  2630.47  662.844  3557.62  853.305   78.220   10.718   90.629   11.882 -12.40914 16.00210 
1 1 1  -39    7   22 o   34.475   10.878  508.825  340.400  273.681  388.839  1280.18  704.255   29.640   11.427   52.472   15.474 -22.83172 19.23544 
1 1 1  -39    7   23 o   90.806   7.9007  3503.77  576.724  4434.56  688.601  1316.77  1055.52  101.948   8.3932   52.157   19.090 49.79037 20.85380 
1 1 1  -39    7   24 o   40.213   11.534  756.654  396.149  651.870  431.699  1315.40  996.878   37.603   12.287   49.914   18.504 -12.31082 22.21143 
1 1 1  -39    7   25 o   75.869   9.1573  2607.77  552.714  2776.00  654.139  2187.93  1033.40   76.843   10.781   58.829   18.995 18.01323 21.84130 
1 1 1  -39    9    1 o  245.280   20.824 24722.45  4108.09   0.0000   0.0000 24722.45  4108.09  ?   ?   245.280   20.824 0.000000 20.82404 
1 1 1  -39    9    2 o  259.604   18.500 27611.19  3874.15   0.0000   0.0000 27611.19  3874.15  ?   ?   259.604   18.500 0.000000 18.50025 
1 1 1  -39    9    3 o  647.981   32.160 172742.20 16920.63 161134.59 24033.66 184150.59 23826.46  619.074   48.192  663.688   44.471 -44.61328 65.57541 
1 1 1  -39    9    4 o  330.799   17.329 44738.39  4638.24 37352.49  6614.55 51883.25  6505.73  300.497   27.411  355.471   22.658 -54.97363 35.56342 
1 1 1  -39    9    5 o  298.644   15.342 36444.02  3707.76 38955.56  5287.03 34013.40  5201.17  307.900   21.278  287.401   22.467 20.49869 30.94386 
1 1 1  -39    9    6 o  406.175   20.280 67506.42  6688.38 64850.11  9493.31 70124.47  9424.67  395.254   29.799  411.507   28.380 -16.25208 41.15140 
1 1 1  -39    9    7 o  141.506   13.615  8237.04  1545.04  8237.04  1545.04   0.0000   0.0000  141.506   13.615  ?   ?  0.000000 13.61506 
1 1 1  -39    9    8 o  188.543   14.596 14592.37  2217.03   0.0000   0.0000 14592.37  2217.03  ?   ?   188.543   14.596 0.000000 14.59552 
1 1 1  -39    9    9 o  240.990   12.458 23739.09  2429.47 26969.63  3553.42 20903.51  3329.12  256.161   17.184  225.161   18.370 30.99969 25.15400 
1 1 1  -39    9   10 o  760.249   38.305 245614.70 23569.44 240174.20 33433.88 250989.41 33231.47  732.789   56.631  751.292   54.855 -18.50262 78.84232 
1 1 1  -39    9   11 o  561.952   40.720 136138.09 18453.97   0.0000   0.0000 136138.09 18453.97  ?   ?   561.952   40.720 0.000000 40.72002 
1 1 1  -39    9   12 o  345.864   25.238 50045.67  7038.68   0.0000   0.0000 50045.67  7038.68  ?   ?   345.864   25.238 0.000000 25.23805 
1 1 1  -39    9   13 o  318.119   23.591 42366.66  6050.11   0.0000   0.0000 42366.66  6050.11  ?   ?   318.119   23.591 0.000000 23.59071 
1 1 1  -39    9   14 o   99.843   13.669  4162.39  1079.01   0.0000   0.0000  4162.39  1079.01  ?   ?    99.843   13.669 0.000000 13.66870 
1 1 1  -39    9   15 f  340.500   25.658 49452.56  7041.63   0.0000   0.0000 49452.56  7041.63  ?   ?   340.500   25.658 0.000000 25.65794 
1 1 1  -39    9   16 o   75.993   14.841  2471.77  882.886   0.0000   0.0000  2471.77  882.886  ?   ?    75.993   14.841 0.000000 14.84086 
1 1 1  -39    9   17 o  285.706   15.666 34360.37  3620.29   0.0000   0.0000 34360.37  3620.29  ?   ?   285.706   15.666 0.000000 15.66553 
1 1 1  -39    9   18 o  134.642   11.217  7583.76  1215.11   0.0000   0.0000  7583.76  1215.11  ?   ?   134.642   11.217 0.000000 11.21667 
1 1 1  -39    9   19 o  135.241   11.550  7716.91  1256.11   0.0000   0.0000  7716.91  1256.11  ?   ?   135.241   11.550 0.000000 11.54963 
1 1 1  -39    9   20 o  134.312   11.196  7654.80  1209.84   0.0000   0.0000  7654.80  1209.84  ?   ?   134.312   11.196 0.000000 11.19561 
1 1 1  -39    9   21 o  133.236   11.570  7636.26  1239.25   0.0000   0.0000  7636.26  1239.25  ?   ?   133.236   11.570 0.000000 11.56999 
1 1 1  -39    9   22 o   42.266   15.722  712.933  720.914   0.0000   0.0000  712.933  720.914  ?   ?    42.266   15.722 0.000000 15.72205 
1 1 1  -39    9   23 o   82.276   16.161  3305.94  1041.11   0.0000   0.0000  3305.94  1041.11  ?   ?    82.276   16.161 0.000000 16.16080 
1 1 1  -39    9   24 o   88.420   8.7693  3434.76  621.280  3861.27  758.765  2567.07  1082.23   92.533   10.272   67.054   19.007 25.47837 21.60479 
1 1 1  -39   11    1 o  291.498   23.650 35018.59  5549.42   0.0000   0.0000 35018.59  5549.42  ?   ?   291.498   23.650 0.000000 23.65012 
1 1 1  -39   11    2 o  234.226   15.223 22448.76  2879.53   0.0000   0.0000 22448.76  2879.53  ?   ?   234.226   15.223 0.000000 15.22340 
1 1 1  -39   11    3 o  118.671   9.8193  5765.83  937.659  2925.31  1453.84  7788.92  1226.95   83.013   21.424  137.928   11.048 -54.91521 24.10536 
1 1 1  -39   11    4 o  294.312   14.547 35303.63  3476.34 44799.03  5021.95 26567.31  4817.03  330.585   18.787  253.431   23.684 77.15442 30.22983 
1 1 1  -39   11    5 o  269.835   15.109 29788.71  3296.99 22478.25  4741.06 36634.74  4587.99  232.427   25.543  298.709   19.015 -66.28236 31.84384 
1 1 1  -39   11    6 o  157.589   10.351 10149.61  1317.10  7930.61  1913.95 12145.75  1815.30  138.228   17.441  172.146   13.085 -33.91864 21.80392 
1 1 1  -39   11    7 o  467.504   23.528 90129.95  8902.50 86016.02 12649.12 94167.91 12531.77  452.583   34.685  474.500   32.727 -21.91739 47.68735 
1 1 1  -39   11    8 o  176.614   15.177 12832.92  2155.36   0.0000   0.0000 12832.92  2155.36  ?   ?   176.614   15.177 0.000000 15.17734 
1 1 1  -39   11    9 o  403.132   17.256 66555.41  5648.36 61777.25  9928.08 68842.17  6868.25  383.060   32.219  408.700   20.765 -25.64026 38.33081 
1 1 1  -39   11   10 f  522.904   21.236 112666.70  9016.51 121527.70 15759.07 108354.40 10993.72  534.341   36.542  510.007   26.640 24.33444 45.22166 
1 1 1  -39   11   11 o  342.780   13.984 48055.73  3892.01 57533.54  6895.80 43625.23  4714.73  372.095   22.936  325.356   17.916 46.73892 29.10377 
1 1 1  -39   11   12 o  286.210   12.517 33484.68  2908.89 32031.08  5209.35 34143.27  3506.48  276.671   23.409  288.196   15.037 -11.52509 27.82200 
1 1 1  -39   11   13 o  235.062   10.496 22558.59  2003.38 25495.74  3668.90 21310.79  2391.37  247.828   18.363  227.771   12.984 20.05708 22.48989 
1 1 1  -39   11   14 o  377.033   15.689 58587.23  4802.89 59973.08  8490.36 57935.07  5824.37  374.425   28.133  373.042   19.295 1.383087 34.11354 
1 1 1  -39   11   15 o  348.782   14.694 50244.85  4161.25 51485.95  7404.38 49671.89  5030.90  345.577   26.592  344.873   18.028 0.7041016 32.12739 
1 1 1  -39   11   16 o  295.784   13.143 36223.71  3156.41 36423.13  5687.46 36134.94  3794.38  288.928   24.473  293.668   15.973 -4.740265 29.22442 
1 1 1  -39   11   17 f   45.263   16.501  730.806  787.482 -831.4918  1384.86  1477.38  957.322   40.490   18.570   58.650   18.201 -18.15987 26.00219 
1 1 1  -39   11   18 o  132.475   12.528  7418.65  1331.55  7216.23  2112.38  7552.11  1715.24  126.116   21.393  131.886   16.369 -5.769897 26.93695 
1 1 1  -39   11   19 o   84.506   15.968  3179.02  1055.49  3295.54  1529.22  3073.01  1458.65   83.232   22.214   80.564   21.778 2.668747 31.10846 
1 1 1  -39   11   20 o  100.068   15.471  4469.55  1216.53  880.700  2043.21  6440.54  1514.18   58.408   24.785  120.144   15.913 -61.73613 29.45341 
1 1 1  -39   11   21 o   38.905   16.786  127.993  966.397 -1350.4160  1757.01  769.246  1157.16   41.234   19.552   48.080   19.341 -6.846626 27.50196 
1 1 1  -39   11   22 o   46.759   19.083  765.213  1145.13  3282.19  2030.46 -408.7727  1386.71   73.863   26.558   40.174   18.483 33.68852 32.35676 
1 1 1  -39   11   23 o   82.764   14.917  3306.76  965.586  2463.51  2163.79  3516.44  1078.98   61.818   25.823   84.041   16.401 -22.22353 30.59119 
1 1 1  -39   11   24 o   42.962   16.399  926.394  795.745   0.0000   0.0000  926.394  795.745  ?   ?    42.962   16.399 0.000000 16.39923 
1 1 1  -39   11   25 o   45.337   17.049  1286.60  852.297   0.0000   0.0000  1286.60  852.297  ?   ?    45.337   17.049 0.000000 17.04924 
1 1 1  -39   13    2 o  434.813   24.252 77880.16  8528.16 63642.83 12381.10 90733.26 11763.84  388.046   39.862  467.301   31.183 -79.25510 50.60939 
1 1 1  -39   13    3 o  327.171   17.627 43858.51  4665.32 42233.78  6844.76 45268.20  6375.69  319.150   26.657  331.158   23.871 -12.00821 35.78348 
1 1 1  -39   13    4 o  220.375   13.613 19870.06  2423.92 15273.70  3606.38 23657.31  3273.61  191.401   23.713  240.074   16.901 -48.67313 29.11993 
1 1 1  -39   13    5 o  182.626   11.561 13635.77  1705.54 12512.93  2553.91 14539.64  2291.40  173.947   18.360  188.155   15.126 -14.20818 23.78814 
1 1 1  -39   13    6 o  508.856   26.260 107168.10 10812.89 95220.28 15412.13 118749.80 15174.13  473.360   40.489  531.687   35.350 -58.32684 53.74903 
1 1 1  -39   13    7 o  743.951   38.013 233871.80 22885.44 214164.80 32470.94 253323.41 32259.88  693.938   58.165  761.042   52.527 -67.10413 78.37237 
1 1 1  -39   13    8 o  195.820   11.949 15690.27  1890.81 15599.37  2797.98 15766.67  2565.18  194.303   17.937  195.647   16.296 -1.344025 24.23423 
1 1 1  -39   13    9 o  151.179   10.806  9361.24  1317.66  6244.50  1978.73 11844.52  1766.24  121.528   20.800  169.863   12.902 -48.33465 24.47714 
1 1 1  -39   13   10 o  274.821   10.859 30796.10  2423.09 40857.21  4425.15 26487.59  2895.80  315.021   17.367  254.115   14.090 60.90648 22.36387 
1 1 1  -39   13   11 o  307.287   16.453 38879.32  4090.18 37237.23  6016.99 40289.94  5576.84  297.949   25.105  311.058   22.227 -13.10846 33.53070 
1 1 1  -39   13   12 f  415.025   17.211 70936.52  5799.76 74314.38 10267.52 69353.71  7028.44  417.536   30.496  408.326   21.273 9.210480 37.18260 
1 1 1  -39   13   13 o   83.370   8.6745  2864.27  578.611  5895.33  1452.99  2293.01  630.784  118.740   15.435   74.146   10.794 44.59432 18.83528 
1 1 1  -39   13   14 o  101.607   8.5807  4243.28  701.304  5700.39  1679.51  3935.57  771.811  115.738   18.495   97.626   9.8723 18.11190 20.96449 
1 1 1  -39   13   15 o  203.042   10.344 16957.83  1699.64 14959.95  3203.62 17740.46  2005.10  186.636   21.535  207.235   11.967 -20.59886 24.63696 
1 1 1  -39   13   16 o  186.788   10.274 14415.82  1552.28 13758.85  3054.71 14644.52  1802.33  177.295   21.671  187.720   11.886 -10.42490 24.71617 
1 1 1  -39   13   17 o   30.860   12.875  100.577  536.974  3874.15  1485.90 -466.2597  575.893   92.624   20.316   25.362   11.754 67.26199 23.47130 
1 1 1  -39   13   18 o   40.549   14.706  601.508  624.270 -512.1459  1546.86  818.180  682.302   44.521   20.106   45.089   15.460 -0.5681076 25.36281 
1 1 1  -39   13   19 o   64.949   12.975  1853.71  660.317  2656.31  1835.83  1734.45  707.679   74.179   25.359   62.367   14.282 11.81257 29.10451 
1 1 1  -39   13   20 o  159.727   10.609 10835.80  1368.05 13430.96  2995.03 10151.59  1537.85  165.701   22.870  153.308   12.462 12.39275 26.04512 
1 1 1  -39   13   21 o   57.262   15.655  1539.49  748.763  3416.19  2206.71  1295.30  795.986   76.671   27.672   52.676   16.636 23.99482 32.28786 
1 1 1  -39   13   22 o   40.791   15.846  634.378  752.245  822.154  2349.54  612.932  794.043   54.712   24.738   40.942   16.168 13.76936 29.55308 
1 1 1  -39   13   23 o   57.840   17.436  1788.55  886.781  1326.12  2734.62  1842.89  937.439   54.074   25.246   58.262   18.000 -4.188091 31.00563 
1 1 1  -39   13   24 o   45.327   18.232  1161.88  1028.26   0.0000   0.0000  1161.88  1028.26  ?   ?    45.327   18.232 0.000000 18.23228 
1 1 1  -39   15    1 o  163.900   11.903 10996.62  1573.23   0.0000   0.0000 10996.62  1573.23  ?   ?   163.900   11.903 0.000000 11.90284 
1 1 1  -39   15    2 o  408.174   19.554 68214.25  6480.56 54281.43 11522.54 74660.63  7837.67  357.195   40.441  425.807   22.752 -68.61182 46.40181 
1 1 1  -39   15    3 o  166.079   10.199 11266.79  1368.72  9280.21  2497.45 12119.61  1636.34  148.965   21.250  172.104   11.781 -23.13829 24.29703 
1 1 1  -39   15    4 f  404.769   21.336 67429.20  6987.51 64418.31 10153.66 70137.95  9630.72  392.236   32.164  410.494   29.083 -18.25812 43.36293 
1 1 1  -39   15    5 o  329.006   17.629 44420.62  4692.34 43715.38  6858.15 45041.34  6434.08  324.269   26.273  329.762   24.199 -5.492157 35.71907 
1 1 1  -39   15    6 o  480.425   25.434 95631.73  9886.03 84408.38 14182.95 106237.80 13787.37  444.854   39.682  502.541   33.989 -57.68649 52.24833 
1 1 1  -39   15    7 o  216.366   17.629 19307.17  3070.16   0.0000   0.0000 19307.17  3070.16  ?   ?   216.366   17.629 0.000000 17.62891 
1 1 1  -39   15    8 o  231.374   13.511 21938.86  2527.20 21855.26  3730.49 22009.77  3435.69  229.613   20.215  230.815   18.487 -1.202316 27.39413 
1 1 1  -39   15    9 o  306.520   16.288 38624.45  4039.19 41520.77  5874.85 36027.95  5562.48  315.908   23.063  294.022   23.496 21.88647 32.92336 
1 1 1  -39   15   10 o  513.335   21.465 109043.70  8946.87 106144.00 15781.97 110416.90 10860.70  494.034   39.678  513.621   26.128 -19.58652 47.50789 
1 1 1  -39   15   11 o   68.714   9.2905  1959.38  505.056 -26.9350  1398.63  2257.23  541.601   47.550   20.350   73.847   9.2344 -26.29674 22.34697 
1 1 1  -39   15   12 o  348.678   13.225 49838.11  3744.12 61726.21  6801.35 44668.95  4484.85  384.264   21.889  328.703   16.861 55.56113 27.62988 
1 1 1  -39   15   13 o  164.020   8.9942 11015.14  1193.27 12121.70  2471.78 10678.89  1362.56  169.971   18.193  161.247   10.464 8.723358 20.98705 
1 1 1  -39   15   14 o   69.675   10.155  2030.04  557.643  3208.19  1497.78  1840.44  600.838   85.471   21.579   65.980   11.641 19.49055 24.51828 
1 1 1  -39   15   15 o  119.115   8.7063  5846.04  836.214  8150.00  1979.36  5345.50  922.588  137.795   18.131  113.577   10.110 24.21853 20.75941 
1 1 1  -39   15   16 o  137.209   9.5473  7797.39  1057.03  5484.29  2385.22  8362.67  1179.14  107.650   27.260  141.891   10.305 -34.24039 29.14280 
1 1 1  -39   15   17 o   44.268   13.889  826.081  555.716  1226.12  1714.22  779.104  587.441   60.583   23.810   43.557   14.338 17.02595 27.79351 
1 1 1  -39   15   18 o   71.789   11.756  2219.61  661.521  3286.69  1956.96  2081.94  702.898   81.816   26.111   69.059   13.013 12.75731 29.17358 
1 1 1  -39   15   19 o   43.069   14.966  755.404  640.463  268.360  1643.53  842.607  695.439   50.115   21.757   45.134   15.600 4.981045 26.77159 
1 1 1  -39   15   20 o   68.940   13.286  2129.52  716.748  2340.26  1965.27  2097.19  769.768   68.238   25.838   67.882   14.411 0.3561325 29.58494 
1 1 1  -39   15   21 o   90.224   13.356  3680.61  948.875  5780.04  2749.58  3396.78  1010.98   92.365   31.038   85.431   15.128 6.933426 34.52821 
1 1 1  -39   15   22 o   88.513   17.205  3931.75  1191.97  4942.90  3036.69  3747.59  1295.99   75.903   31.037   84.133   19.372 -8.229507 36.58615 
1 1 1  -39   15   23 o   39.583   16.154  641.104  820.694 -649.4333  2498.32  797.213  868.915   44.328   21.587   41.871   16.789 2.457169 27.34755 
1 1 1  -39   15   24 o   25.041   12.333 -1229.6770  888.918   0.0000   0.0000 -1229.6770  888.918  ?   ?    25.041   12.333 0.000000 12.33345 
1 1 1  -39   17    1 o  197.072   13.216 15906.15  2102.54   0.0000   0.0000 15906.15  2102.54  ?   ?   197.072   13.216 0.000000 13.21613 
1 1 1  -39   17    2 o  133.412   12.086  7311.83  1295.05   0.0000   0.0000  7311.83  1295.05  ?   ?   133.412   12.086 0.000000 12.08630 
1 1 1  -39   17    3 o  433.366   18.479 76937.07  6502.49 79249.73 11519.22 75855.50  7877.60  434.490   32.895  428.755   22.709 5.735718 39.97262 
1 1 1  -39   17    4 o  445.244   19.406 81328.16  7015.71 72678.95 12301.03 85497.95  8541.03  413.824   36.999  454.939   23.199 -41.11496 43.67056 
1 1 1  -39   17    5 f  266.053   14.826 29012.64  3190.11 31692.02  4819.31 26923.01  4256.01  276.676   21.624  255.088   20.727 21.58772 29.95393 
1 1 1  -39   17    6 o  355.520   26.309 52714.36  7540.78   0.0000   0.0000 52714.36  7540.78  ?   ?   355.520   26.309 0.000000 26.30922 
1 1 1  -39   17    7 o  266.251   14.960 29093.59  3221.12 30880.12  4829.57 27662.11  4323.10  272.666   22.002  258.296   20.789 14.36957 30.26957 
1 1 1  -39   17    8 f  163.346   12.110 10952.13  1594.75  9283.34  2596.93 11962.44  2020.62  148.268   22.259  170.322   14.757 -22.05396 26.70586 
1 1 1  -39   17    9 o  153.032   11.638  9616.92  1435.20  9500.44  2297.15  9691.49  1838.11  150.631   19.220  153.061   14.982 -2.430725 24.36933 
1 1 1  -39   17   10 o  378.647   29.926 61040.57  9125.77 61040.57  9125.77   0.0000   0.0000  378.647   29.926  ?   ?  0.000000 29.92614 
1 1 1  -39   17   11 o  168.306   8.8016 11581.26  1198.65 12492.85  2541.33 11320.44  1359.35  172.873   18.387  166.207   10.121 6.666473 20.98851 
1 1 1  -39   17   12 o  106.044   7.8401  4609.43  670.282  8748.80  1828.77  3967.06  720.416  144.746   15.818   98.152   9.1448 46.59453 18.27084 
1 1 1  -39   17   13 o   80.530   8.9504  2683.73  575.344  2481.59  1540.92  2716.48  620.198   75.929   23.006   80.906   9.6300 -4.977089 24.94025 
1 1 1  -39   17   14 o   18.465   8.8624 -554.8604  384.496  1097.68  1220.72 -736.8652  405.117   55.702   20.508   17.759   8.6581 37.94320 22.26097 
1 1 1  -39   17   15 o   62.590   11.568  1673.20  566.248 -41.9288  1670.46  1895.87  601.882   50.343   21.895   66.734   11.524 -16.39108 24.74277 
1 1 1  -39   17   16 o   13.574   6.8821 -1393.4430  386.811 -4879.3442  1159.57 -956.9719  410.314  ?   ?    16.448   8.1522 0.000000 8.152221 
1 1 1  -39   17   17 o  150.150   9.6778  9402.90  1173.61  9924.06  2617.74  9271.79  1312.96  146.066   22.818  148.540   10.963 -2.473969 25.31528 
1 1 1  -39   17   18 o   83.252   11.835  2985.28  777.501  3225.52  2219.90  2951.69  830.078   79.834   27.856   82.377   12.828 -2.543144 30.66779 
1 1 1  -39   17   19 o  167.788   11.163 12022.95  1512.21 10430.10  3464.84 12397.76  1680.73  133.974   32.241  169.514   12.295 -35.53967 34.50576 
1 1 1  -39   17   20 o   57.704   15.988  1572.81  774.959  2570.93  2477.50  1464.56  815.901   69.143   28.126   55.593   16.717 13.54979 32.71897 
1 1 1  -39   17   21 o   23.319   11.551 -1671.4750  819.683  492.123  1941.06 -2141.0330  904.266   50.356   22.653   23.271   11.625 27.08512 25.46149 
1 1 1  -39   17   22 o  113.962   16.860  6613.39  1513.05  6328.99  3189.85  6695.96  1718.70   78.164   31.868  110.547   19.878 -32.38314 37.55969 
1 1 1  -39   17   23 o   37.287   16.341  417.854  946.230   0.0000   0.0000  417.854  946.230  ?   ?    37.287   16.341 0.000000 16.34124 
1 1 1  -39   19    1 o  335.634   18.939 46356.34  5140.30   0.0000   0.0000 46356.34  5140.30  ?   ?   335.634   18.939 0.000000 18.93924 
1 1 1  -39   19    2 o  173.826   12.727 12391.74  1783.80   0.0000   0.0000 12391.74  1783.80  ?   ?   173.826   12.727 0.000000 12.72690 
1 1 1  -39   19    3 o  207.508   12.350 17626.05  2071.41 13666.06  3859.32 19228.44  2454.98  179.490   27.345  216.518   14.040 -37.02773 30.73858 
1 1 1  -39   19    4 o  437.891   20.267 78895.18  7205.98 72463.67 12709.91 81941.86  8747.80  411.055   38.530  444.338   24.339 -33.28308 45.57372 
1 1 1  -39   19    5 o  290.898   22.522 35159.61  5278.32   0.0000   0.0000 35159.61  5278.32  ?   ?   290.898   22.522 0.000000 22.52241 
1 1 1  -39   19    6 o  209.266   14.146 17992.18  2389.58 14948.57  3790.63 19999.30  3078.25  188.027   25.485  220.045   17.370 -32.01805 30.84187 
1 1 1  -39   19    7 o  346.870   19.905 49791.77  5582.62 42847.94  8253.47 55647.92  7579.55  316.642   32.566  364.483   25.777 -47.84024 41.53333 
1 1 1  -39   19    8 o   47.693   13.949  948.082  574.388 -449.2714  1375.94  1242.99  632.099   43.858   19.443   54.111   14.206 -10.25250 24.07957 
1 1 1  -39   19    9 f  541.307   28.567 124156.50 12511.44 119805.80 18034.17 128193.60 17372.09  517.998   43.274  539.495   39.941 -21.49640 58.88922 
1 1 1  -39   19   10 o  331.678   18.526 45697.27  4969.22 45318.87  7384.60 46010.42  6717.72  325.513   28.219  329.636   25.291 -4.122894 37.89401 
1 1 1  -39   19   11 o  377.963   14.168 58836.45  4348.19 67103.37  8146.24 55542.76  5141.94  396.715   25.423  365.950   17.305 30.76501 30.75387 
1 1 1  -39   19   12 o  122.794   9.3138  6205.83  921.710  2406.89  2312.99  6922.97  1004.95   78.785   28.344  129.678   9.6127 -50.89262 29.92985 
1 1 1  -39   19   13 f  306.057   14.113 38964.84  3507.22 33833.74  6669.06 40926.42  4123.47  272.131   30.720  312.016   16.333 -39.88504 34.79171 
1 1 1  -39   19   14 o  197.685   10.755 16201.47  1719.81 12641.94  3647.74 17218.85  1950.16  164.826   28.274  203.364   11.862 -38.53786 30.66114 
1 1 1  -39   19   15 o   90.183   9.0943  3387.41  656.844  6102.69  1969.93  3047.76  696.715  115.934   21.725   85.191   10.280 30.74287 24.03446 
1 1 1  -39   19   16 f   96.178   9.6754  3875.24  745.331  6202.97  2131.29  3550.90  795.564  114.642   23.680   91.639   10.906 23.00294 26.07071 
1 1 1  -39   19   17 o   84.012   11.021  3011.67  733.691  537.744  1993.48  3399.28  789.078   56.366   24.213   89.292   11.125 -32.92578 26.64672 
1 1 1  -39   19   18 o   80.137   12.222  2798.87  770.120  3112.34  2434.81  2764.02  811.797   77.203   28.859   79.253   13.071 -2.049904 31.68091 
1 1 1  -39   19   19 o   22.817   10.856 -629.9789  550.618 -2250.4790  1883.15 -478.4849  575.781   39.131   18.984   24.767   11.570 14.36388 22.23184 
1 1 1  -39   19   20 f   84.916   19.865  3693.86  1345.30  1416.60  3027.44  4254.17  1501.71   61.465   27.907   90.336   20.890 -28.87133 34.85970 
1 1 1  -39   19   21 o  130.695   17.856  8686.14  1845.30  7465.59  3527.59  9145.95  2165.17   85.714   34.006  128.758   21.466 -43.04343 40.21422 
1 1 1  -39   19   22 o   33.224   15.137 -64.9833  900.527 -1285.0699  3275.11   34.804  936.630   45.566   22.659   34.528   15.615 11.03728 27.51847 
1 1 1  -39   21    1 o  265.885   16.542 29083.79  3553.46   0.0000   0.0000 29083.79  3553.46  ?   ?   265.885   16.542 0.000000 16.54161 
1 1 1  -39   21    2 o  233.720   15.818 22475.39  2984.15   0.0000   0.0000 22475.39  2984.15  ?   ?   233.720   15.818 0.000000 15.81797 
1 1 1  -39   21    3 o  167.876   12.391 11568.61  1677.04  8891.92  3379.64 12443.00  1931.63  143.113   30.041  173.919   13.792 -30.80629 33.05553 
1 1 1  -39   21    4 o  180.660   14.461 13442.21  2103.47   0.0000   0.0000 13442.21  2103.47  ?   ?   180.660   14.461 0.000000 14.46081 
1 1 1  -39   21    5 f  126.172   11.845  6556.87  1199.26  4276.79  2363.04  7347.87  1391.83   99.600   28.034  133.443   13.011 -33.84277 30.90625 
1 1 1  -39   21    6 o   73.896   14.178  2310.56  819.786  1130.81  1768.17  2633.60  925.239   63.234   24.370   78.871   14.996 -15.63707 28.61373 
1 1 1  -39   21    7 o   96.407   12.662  3866.91  967.175  3533.08  1961.63  3974.13  1111.69   90.565   25.560   97.404   14.498 -6.839737 29.38581 
1 1 1  -39   21    8 o  308.608   18.187 39510.75  4537.18 36917.27  6884.81 41501.82  6032.43  293.330   29.299  313.945   23.843 -20.61459 37.77412 
1 1 1  -39   21    9 o  184.620   23.230 14527.49  3405.18 14527.49  3405.18   0.0000   0.0000  184.620   23.230  ?   ?  0.000000 23.22992 
1 1 1  -39   21   10 o  307.629   17.863 39536.38  4442.74 40409.30  6777.90 38878.82  5882.73  305.149   27.656  301.527   24.233 3.621918 36.77052 
1 1 1  -39   21   11 o  251.458   15.979 26445.67  3245.59 27257.87  5161.99 25914.66  4173.81  249.579   25.847  246.278   21.075 3.300735 33.35022 
1 1 1  -39   21   12 o   16.952   7.9614 -293.2323  278.807 -2696.1479  1866.57 -238.3975  281.970   39.803   19.211   17.775   8.2331 22.02749 20.90045 
1 1 1  -39   21   13 o  177.146   10.358 13003.50  1483.33  9808.01  3610.34 13652.45  1627.00  141.928   32.083  181.253   11.109 -39.32600 33.95140 
1 1 1  -39   21   14 o  119.646   9.1575  5939.77  882.880  6774.32  2656.94  5836.18  936.071  118.420   28.062  118.400   9.8256 0.1939392E-01 29.73238 
1 1 1  -39   21   15 o  180.797   10.421 13651.96  1523.39 13395.55  3669.69 13705.34  1674.49  165.533   28.321  180.618   11.477 -15.08574 30.55815 
1 1 1  -39   21   16 o   69.174   11.366  2060.50  616.205  3420.88  2513.51  1973.51  635.602   82.423   29.558   67.442   12.049 14.98086 31.91992 
1 1 1  -39   21   17 o  109.285   10.402  5070.68  911.925  4367.97  3016.35  5141.37  956.694   87.455   32.232  109.833   10.870 -22.37885 34.01535 
1 1 1  -39   21   18 o  100.236   11.871  4374.16  947.365 -1661.2720  3169.60  4966.23  992.746   54.072   25.815  107.024   11.610 -52.95190 28.30536 
1 1 1  -39   21   19 f   60.355   15.149  1721.48  741.231  1948.37  3136.99  1708.06  762.832   65.196   29.101   59.930   15.545 5.265533 32.99263 
1 1 1  -39   21   20 o   37.555   17.035 -124.1380  1124.67  3029.22  3212.45 -564.6320  1200.66   65.433   29.310   35.716   16.693 29.71654 33.73067 
1 1 1  -39   21   21 f   55.232   19.739  1787.49  1120.02 -4016.2251  3654.04  2389.30  1176.66   43.683   22.029   63.101   20.258 -19.41848 29.92777 
1 1 1  -39   21   22 o   36.387   17.087 -53.1108  1283.59   0.0000   0.0000 -53.1108  1283.59  ?   ?    36.387   17.087 0.000000 17.08694 
1 1 1  -39   23    1 f  338.115   20.115 47383.09  5497.38   0.0000   0.0000 47383.09  5497.38  ?   ?   338.115   20.115 0.000000 20.11493 
1 1 1  -39   23    2 o  143.329   14.903  8510.51  1709.05   0.0000   0.0000  8510.51  1709.05  ?   ?   143.329   14.903 0.000000 14.90320 
1 1 1  -39   23    3 o  239.516   16.587 23695.95  3205.99   0.0000   0.0000 23695.95  3205.99  ?   ?   239.516   16.587 0.000000 16.58708 
1 1 1  -39   23    4 o  191.509   13.789 15104.73  2129.77 12715.71  4202.97 15930.10  2470.42  170.493   31.522  196.309   15.628 -25.81577 35.18324 
1 1 1  -39   23    5 o  192.785   14.166 15329.89  2201.91 11202.55  4258.81 16835.72  2572.41  158.592   34.087  201.697   15.835 -43.10509 37.58548 
1 1 1  -39   23    6 o  115.780   12.579  5556.01  1163.55  7727.43  2458.99  4929.56  1320.77  134.021   23.451  108.388   15.444 25.63361 28.07975 
1 1 1  -39   23    7 o  193.243   14.509 15459.30  2259.87 16827.34  3970.82 14803.93  2748.38  197.960   25.281  188.029   18.231 9.931335 31.16882 
1 1 1  -39   23    8 o  116.097   28.165  6034.50  2627.90  6034.50  2627.90   0.0000   0.0000  116.097   28.165  ?   ?  0.000000 28.16483 
1 1 1  -39   23    9 o  123.855   13.862  6418.74  1370.11  4576.76  2736.55  7034.92  1582.77  100.727   30.690  129.307   15.377 -28.57969 34.32644 
1 1 1  -39   23   10 o   91.504   14.798  3569.02  1061.95  499.259  2253.60  4445.23  1204.00   62.132   26.178  102.305   14.934 -40.17295 30.13847 
1 1 1  -39   23   11 o  112.856   14.370  5401.41  1286.91  6988.02  2753.69  4958.04  1455.66  122.285   28.295  107.029   17.344 15.25609 33.18719 
1 1 1  -39   23   12 o  135.153   9.4140  7562.80  1026.64  4262.69  2978.42  8007.76  1093.66   94.673   32.301  138.994   9.7523 -44.32042 33.74118 
1 1 1  -39   23   13 o   39.610   11.158  671.095  374.197 -2407.4419  2226.26  760.598  379.597   45.366   21.652   42.009   10.999 3.357025 24.28536 
1 1 1  -39   23   14 o   59.692   11.049  1532.31  515.780  9087.67  2732.24  1253.11  525.224  138.079   25.302   53.578   12.329 84.50108 28.14634 
1 1 1  -39   23   15 o  153.326   9.8092  9842.80  1214.80 10846.15  3776.20  9726.98  1283.00  140.502   33.561  152.107   10.452 -11.60484 35.15086 
1 1 1  -39   23   16 o  121.273   10.164  6221.48  991.596  8471.29  3581.41  6034.70  1031.94  118.197   34.905  119.128   10.785 -0.9301147 36.53376 
1 1 1  -39   23   17 o   97.147   10.918  4066.12  846.280 -248.4909  3582.23  4321.16  870.933   61.660   28.824  100.197   10.880 -38.53680 30.80876 
1 1 1  -39   23   18 o   41.882   14.708  748.114  619.359 -1982.3230  3480.22  837.420  629.406   53.348   25.864   43.613   14.849 9.734947 29.82371 
1 1 1  -39   23   19 o   51.416   20.426  1227.86  1274.35  2178.53  3849.91  1110.88  1350.48   63.282   29.677   50.594   20.694 12.68789 36.17935 
1 1 1  -39   23   20 o   31.963   14.994 -500.8101  984.281  1054.05  4097.65 -596.0173  1013.97   54.906   26.930   31.838   15.024 23.06865 30.83758 
1 1 1  -39   23   21 o   51.846   21.290  1871.62  1436.49 -4964.2378  4762.02  2555.92  1506.67   43.183   22.093   58.076   22.463 -14.89215 31.50715 
1 1 1  -39   25    1 o  326.021   20.542 44443.31  5409.95   0.0000   0.0000 44443.31  5409.95  ?   ?   326.021   20.542 0.000000 20.54167 
1 1 1  -39   25    2 o   78.887   18.380  2681.23  1155.47   0.0000   0.0000  2681.23  1155.47  ?   ?    78.887   18.380 0.000000 18.38006 
1 1 1  -39   25    3 o  194.453   16.455 15735.67  2573.70   0.0000   0.0000 15735.67  2573.70  ?   ?   194.453   16.455 0.000000 16.45507 
1 1 1  -39   25    4 o  422.808   19.795 74644.64  6795.85 80827.89 12594.09 72104.66  8071.88  424.533   36.903  412.102   24.230 12.43103 44.14618 
1 1 1  -39   25    5 o  275.090   16.781 31526.17  3730.36 29194.68  7069.86 32425.72  4391.42  254.126   35.209  277.728   19.599 -23.60280 40.29639 
1 1 1  -39   25    6 o   33.185   14.458 -120.5728  731.125 -3463.3291  2228.15  282.770  773.979   42.861   20.759   38.969   15.768 3.891590 26.06867 
1 1 1  -39   25    7 o   80.144   27.952  2628.48  2235.09  2628.48  2235.09   0.0000   0.0000   80.144   27.952  ?   ?  0.000000 27.95202 
1 1 1  -39   25    8 o  200.279   16.126 16890.85  2600.24 14787.76  4732.63 17800.22  3112.05  176.830   34.198  204.251   18.982 -27.42015 39.11324 
1 1 1  -39   25    9 o   86.909   16.219  3270.50  1102.41  4090.10  2712.41  3108.33  1206.56   94.274   30.798   84.104   18.197 10.16986 35.77218 
1 1 1  -39   25   10 o  316.090   20.574 43456.77  5251.57 40048.13  8299.67 45732.67  6781.81  283.799   36.890  317.428   26.557 -33.62823 45.45425 
1 1 1  -39   25   11 o  202.490   15.868 17511.07  2588.05 18107.20  4620.37 17238.51  3124.17  194.195   30.291  198.336   19.659 -4.141190 36.11083 
1 1 1  -39   25   12 o   32.948   10.934  431.814  341.363  814.107  2413.45  424.010  344.830   63.687   26.976   32.796   10.992 30.89072 29.12908 
1 1 1  -39   25   13 o  129.202   9.2237  6954.23  961.272  3363.74  3400.00  7266.17  1002.16   84.797   33.467  132.013   9.4110 -47.21556 34.76456 
1 1 1  -39   25   14 o   16.277   7.8645 -492.4971  314.954 -2282.7429  2556.88 -464.9149  317.371   48.632   23.209   16.625   7.9979 32.00713 24.54812 
1 1 1  -39   25   15 o   24.423   10.654 -51.9990  398.075  3709.47  2802.10 -129.4760  402.154   82.350   30.924   23.467   10.451 58.88322 32.64276 
1 1 1  -39   25   16 o   29.615   12.087  179.117  459.452 -1906.2610  3262.90  221.302  464.076   54.087   25.921   30.436   12.246 23.65086 28.66864 
1 1 1  -39   25   17 o   74.433   22.486  2969.04  1473.65  3605.90  4277.63  2883.27  1569.74   74.120   33.458   72.682   23.405 1.437660 40.83226 
1 1 1  -39   25   18 f   50.121   19.552  1155.03  1148.90  5614.91  3733.06  688.402  1207.50   77.912   33.292   45.611   19.187 32.30123 38.42537 
1 1 1  -39   25   19 o   47.325   19.546  1045.19  1219.65  7097.76  4923.68  649.521  1258.88   69.053   32.740   43.942   19.059 25.11047 37.88326 
1 1 1  -39   25   20 o   40.091   18.346  341.625  1341.53 -3163.0491  4377.85  704.830  1409.33   44.577   22.657   42.908   19.302 1.669262 29.76445 
1 1 1  -39   27    1 o   36.994   15.623   70.829  805.698   0.0000   0.0000   70.829  805.698  ?   ?    36.994   15.623 0.000000 15.62324 
1 1 1  -39   27    2 o  310.990   20.725 41106.82  5203.29   0.0000   0.0000 41106.82  5203.29  ?   ?   310.990   20.725 0.000000 20.72472 
1 1 1  -39   27    3 o  214.182   17.968 19373.67  3095.86   0.0000   0.0000 19373.67  3095.86  ?   ?   214.182   17.968 0.000000 17.96767 
1 1 1  -39   27    4 o  220.020   15.977 20309.24  2834.86 22331.81  6080.55 19747.52  3204.42  217.968   35.585  215.781   18.467 2.187607 40.09134 
1 1 1  -39   27    5 o  305.310   24.628 40814.86  6053.39 49584.75  8651.21 32402.27  8473.14  327.625   32.969  254.772   42.453 72.85287 53.75152 
1 1 1  -39   27    6 o  143.181   15.506  8676.91  1773.93 11961.24  4188.46  7959.00  1958.23  158.075   33.664  136.036   18.184 22.03862 38.26126 
1 1 1  -39   27    7 o  285.793   17.456 34740.16  4031.44 32688.62  7735.92 35505.05  4723.56  256.622   38.299  286.553   20.435 -29.93112 43.40946 
1 1 1  -39   27    8 o   73.507   18.261  2397.79  1085.03  3212.10  2709.08  2242.21  1184.15   85.471   30.683   70.973   19.799 14.49830 36.51649 
1 1 1  -39   27    9 o  233.851   18.054 23626.11  3401.58 23810.24  6279.45 23549.63  4046.74  215.573   37.220  230.266   21.908 -14.69270 43.18913 
1 1 1  -39   27   10 o   89.826   19.067  3630.51  1347.67  4241.35  3546.91  3527.45  1456.93   93.440   34.850   87.841   20.756 5.598999 40.56323 
1 1 1  -39   27   11 o   60.598   19.017  1627.46  1041.74 -1046.1710  2877.94  2030.59  1117.52   57.871   26.625   66.891   19.426 -9.019890 32.95832 
1 1 1  -39   27   12 o  135.859   17.172  8180.88  1851.99  3045.11  4302.96  9348.55  2051.76   84.549   35.926  144.889   17.816 -60.34061 40.10071 
1 1 1  -39   27   13 o   63.252   9.7003  1706.92  482.294 -1870.0020  3806.08  1765.29  486.213   60.813   28.819   64.378   9.5946 -3.564102 30.37458 
1 1 1  -39   27   14 o  144.041   10.108  8779.63  1174.69  8048.90  4437.28  8834.70  1218.15  106.030   39.091  144.283   10.469 -38.25277 40.46847 
1 1 1  -39   27   15 o  130.257   9.9639  7228.62  1045.83  6677.38  4457.95  7260.73  1075.86   92.392   37.672  130.373   10.246 -37.98101 39.04034 
1 1 1  -39   27   16 o   91.328   22.367  4436.17  1645.39  5472.68  4409.77  4268.53  1773.47   80.690   35.322   87.559   24.158 -6.869522 42.79332 
1 1 1  -39   27   17 o   76.234   23.736  3467.58  1626.52  1044.49  4656.48  3804.31  1735.86   61.079   29.682   79.027   24.507 -17.94733 38.49192 
1 1 1  -39   27   18 o   52.624   20.661  1551.29  1289.65 -1855.5050  4787.25  1817.87  1339.16   51.501   25.872   55.483   21.251 -3.981129 33.48133 
1 1 1  -39   27   19 o   21.226   10.723 -2438.1370  888.613 -2825.3789  4801.25 -2424.4021  904.235   45.893   23.365   21.544   10.876 24.34915 25.77199 
1 1 1  -39   29    1 f   60.300   21.080  1436.23  1271.55   0.0000   0.0000  1436.23  1271.55  ?   ?    60.300   21.080 0.000000 21.08009 
1 1 1  -39   29    2 o   69.747   21.492  2120.42  1337.48   0.0000   0.0000  2120.42  1337.48  ?   ?    69.747   21.492 0.000000 21.49216 
1 1 1  -39   29    3 o  105.675   37.843  5317.60  4118.44   0.0000   0.0000  5317.60  4118.44  ?   ?   105.675   37.843 0.000000 37.84266 
1 1 1  -39   29    4 o  101.422   18.941  4522.86  1502.42   0.0000   0.0000  4522.86  1502.42  ?   ?   101.422   18.941 0.000000 18.94066 
1 1 1  -39   29    5 o  318.029   18.879 43550.23  4853.34 50235.11 10063.99 41524.46  5540.12  311.874   40.714  307.016   22.378 4.857208 46.45841 
1 1 1  -39   29    6 o  220.699   17.611 20951.63  3129.69 20515.90  6796.64 21068.89  3525.72  191.938   44.480  219.571   19.995 -27.63283 48.76791 
1 1 1  -39   29    7 o   58.951   20.714  1410.12  1228.48  2111.14  4184.63  1344.01  1285.11   83.794   35.508   58.539   21.119 25.25501 41.31406 
1 1 1  -39   29    8 o  173.283   17.016 13027.21  2363.24 19708.72  5643.86 11606.65  2602.37  192.775   37.406  161.332   20.317 31.44328 42.56733 
1 1 1  -39   29    9 o  232.641   19.242 23979.33  3602.09 24827.22  6818.18 23651.04  4242.48  207.877   41.843  226.641   23.390 -18.76390 47.93673 
1 1 1  -39   29   10 o   70.311   20.505  2290.92  1242.76   66.979  3918.92  2539.57  1310.40   69.971   31.762   73.756   20.917 -3.784843 38.03128 
1 1 1  -39   29   11 o   68.353   20.689  2190.28  1246.67  1111.13  3999.53  2306.42  1312.04   73.234   32.762   69.920   21.239 3.314651 39.04389 
1 1 1  -39   29   12 o   75.494   21.070  2759.36  1340.74  725.207  4038.38  3011.35  1421.36   70.078   31.977   78.577   21.606 -8.499367 38.59204 
1 1 1  -39   29   13 o   18.103   8.3650 -220.5729  288.550 -990.3585  3667.75 -215.7788  289.447   60.229   28.468   18.201   8.3991 42.02810 29.68074 
1 1 1  -39   29   14 o  347.308   13.689 53389.35  3860.34 196491.80  7646.57  4441.71  4472.07  664.294   14.176   79.656   35.194 584.6388 37.94230 
1 1 1  -39   29   15 o   37.467   17.141 -329.7969  1170.07 -2713.1741  4555.42 -161.4531  1210.68   55.919   27.613   39.245   17.750 16.67403 32.82614 
1 1 1  -39   29   16 o   40.924   18.565   1.4102  1336.16  2352.54  4954.90 -182.9690  1387.56   62.876   30.570   40.321   18.527 22.55456 35.74614 
1 1 1  -39   29   17 o   95.768   24.261  5924.05  1888.75  4100.33  6141.09  6114.58  1984.96   59.466   29.793   95.601   25.210 -36.13461 39.02817 
1 1 1  -39   31    1 o  242.072   21.818 25952.08  4242.29   0.0000   0.0000 25952.08  4242.29  ?   ?   242.072   21.818 0.000000 21.81779 
1 1 1  -39   31    2 o   56.405   21.989  1007.71  1452.52   0.0000   0.0000  1007.71  1452.52  ?   ?    56.405   21.989 0.000000 21.98922 
1 1 1  -39   31    3 o   80.703   24.084  3006.70  1698.13   0.0000   0.0000  3006.70  1698.13  ?   ?    80.703   24.084 0.000000 24.08380 
1 1 1  -39   31    4 o   54.113   20.431  1032.07  1226.57   0.0000   0.0000  1032.07  1226.57  ?   ?    54.113   20.431 0.000000 20.43057 
1 1 1  -39   31    5 o  167.193   20.587 12491.88  2735.71   0.0000   0.0000 12491.88  2735.71  ?   ?   167.193   20.587 0.000000 20.58669 
1 1 1  -39   31    6 o   75.091   22.460  2613.78  1475.58 -891.4351  5303.95  2907.84  1536.23   76.467   35.519   78.882   22.738 -2.414413 42.17385 
1 1 1  -39   31    7 o  109.761   20.393  5513.49  1750.57   29.163  5566.90  6115.32  1844.12   79.477   36.731  115.743   20.366 -36.26595 41.99954 
1 1 1  -39   31    8 f   45.377   18.866  390.262  1147.25  159.250  4741.96  404.624  1182.38   74.617   34.273   46.022   19.145 28.59531 39.25784 
1 1 1  -39   31    9 o  185.028   18.949 15508.08  2806.68 19171.08  7462.56 14904.58  3029.08  152.519   51.133  179.059   21.249 -26.54001 55.37283 
1 1 1  -39   31   10 o   96.957   22.962  4635.02  1779.86  6098.83  5107.06  4432.65  1898.91   95.127   39.700   93.501   24.659 1.626564 46.73441 
1 1 1  -39   31   11 o   76.311   22.538  2932.13  1493.08  3821.26  5099.92  2848.78  1561.49   82.319   36.899   74.928   23.245 7.391647 43.60997 
1 1 1  -39   31   12 o  119.040   21.977  7109.55  2045.95   57.123  6215.38  7966.58  2166.70   70.942   34.433  126.177   21.945 -55.23467 40.83210 
1 1 1  -39   31   13 o   53.556   21.150  1242.18  1358.80  768.411  5476.15  1273.27  1402.67   67.115   32.516   54.112   21.451 13.00344 38.95442 
1 1 1  -39   31   14 o   92.702   24.142  4983.52  1835.20  4868.24  6123.71  4994.90  1923.61   70.947   34.376   91.390   25.137 -20.44305 42.58580 
1 1 1  -39   31   15 f   63.249   23.927  2568.17  1684.49  4237.15  5972.16  2423.92  1755.78   63.728   31.497   61.534   24.124 2.193989 39.67429 
1 1 1  -39   31   16 o   74.795   26.045  4370.33  1940.21  8991.85  6546.89  3925.36  2031.47   62.646   31.293   69.089   26.243 -6.442818 40.84024 
1 1 1  -39   33    1 o   84.767   27.578  3489.26  2175.70   0.0000   0.0000  3489.26  2175.70  ?   ?    84.767   27.578 0.000000 27.57796 
1 1 1  -39   33    2 o   41.096   18.308 -283.3001  1235.00   0.0000   0.0000 -283.3001  1235.00  ?   ?    41.096   18.308 0.000000 18.30794 
1 1 1  -39   33    3 o  150.156   23.577 10562.70  2779.80   0.0000   0.0000 10562.70  2779.80  ?   ?   150.156   23.577 0.000000 23.57663 
1 1 1  -39   33    4 o   48.023   20.379  314.866  1381.57   0.0000   0.0000  314.866  1381.57  ?   ?    48.023   20.379 0.000000 20.37918 
1 1 1  -39   33    5 o  110.283   24.709  5933.33  2157.74   0.0000   0.0000  5933.33  2157.74  ?   ?   110.283   24.709 0.000000 24.70918 
1 1 1  -39   33    6 o   57.889   23.082  1158.65  1632.84  5252.17  6991.78  922.515  1679.27   95.006   42.841   56.185   23.039 38.82062 48.64359 
1 1 1  -39   33    7 o   44.465   19.282  119.409  1287.90 -1262.9430  6619.67  173.793  1312.99   75.917   36.523   45.273   19.550 30.64396 41.42641 
1 1 1  -39   33    8 o   54.630   21.674  1080.97  1432.98  3373.79  5850.71  934.647  1478.00   83.460   38.236   53.590   21.752 29.86928 43.99071 
1 1 1  -39   33    9 o   47.083   20.248  350.675  1396.76 -2928.0381  6700.91  499.602  1428.13   69.277   34.071   48.686   20.692 20.59134 39.86254 
1 1 1  -39   33   10 o   63.661   22.977  2018.69  1521.39 -8389.0020  7933.15  2416.08  1550.16   63.908   32.257   68.287   23.303 -4.379086 39.79398 
1 1 1  -39   33   11 o   48.438   21.215  436.267  1592.72  3379.16  7894.57  311.402  1626.15   74.337   36.641   47.881   21.186 26.45611 42.32481 
1 1 1  -39   33   12 o   34.838   16.546 -976.3068  1268.35  7389.60  7028.76 -1257.8950  1289.52   75.845   36.768   33.765   16.212 42.07938 40.18348 
1 1 1  -39   33   13 o   63.141   24.314  2499.67  1758.92 20180.20  8992.59  1796.33  1793.56   81.920   40.121   56.887   23.615 25.03326 46.55507 
1 1 1  -39   33   14 o   51.084   21.828  1392.34  1604.58  9393.73  7357.85  992.819  1644.15   64.655   32.424   48.278   21.335 16.37628 38.81334 
1 1 1  -39   35    1 o   92.426   29.734  4628.02  2533.82   0.0000   0.0000  4628.02  2533.82  ?   ?    92.426   29.734 0.000000 29.73351 
1 1 1  -39   35    2 o   72.440   26.879  2517.52  2104.46   0.0000   0.0000  2517.52  2104.46  ?   ?    72.440   26.879 0.000000 26.87863 
1 1 1  -39   35    3 o  103.351   29.954  5903.88  2659.45   0.0000   0.0000  5903.88  2659.45  ?   ?   103.351   29.954 0.000000 29.95369 
1 1 1  -39   35    4 o   78.965   27.302  3274.91  2130.09   0.0000   0.0000  3274.91  2130.09  ?   ?    78.965   27.302 0.000000 27.30180 
1 1 1  -39   35    5 o   85.306   27.291  3955.99  2136.88   0.0000   0.0000  3955.99  2136.88  ?   ?    85.306   27.291 0.000000 27.29093 
1 1 1  -39   35    6 o   95.423   27.823  5099.52  2288.37   0.0000   0.0000  5099.52  2288.37  ?   ?    95.423   27.823 0.000000 27.82284 
1 1 1  -39   35    7 o  105.916   27.550  6329.21  2391.80 -345.7537 10448.40  6698.34  2457.05   76.620   38.454  108.936   27.712 -32.31572 47.39899 
1 1 1  -39   35    8 o   51.430   21.620  846.476  1531.53  534.718  9452.07  854.881  1552.04   73.451   36.823   51.666   21.744 21.78427 42.76387 
1 1 1  -39   35    9 o   54.408   22.300  1259.49  1572.28 -5140.8711  8194.84  1504.10  1602.04   63.273   32.035   56.766   22.784 6.506813 39.31130 
1 1 1  -39   35   10 o   37.826   18.050 -1118.5540  1546.02 14949.71 10813.04 -1453.8860  1562.07   77.242   38.814   36.580   17.635 40.66211 42.63245 
1 1 1  -39   35   11 o   54.730   22.524  1587.54  1612.34  533.229 11293.13  1609.48  1629.03   62.273   31.996   54.947   22.630 7.325718 39.19046 
1 1 1  -39   35   12 f   55.065   22.802  1855.51  1666.25 -9589.8506  9000.61  2261.68  1695.56   52.184   26.886   58.557   23.462 -6.372433 35.68369 
1 1 1  -39   37    1 o   85.329   32.553  4806.85  3134.48   0.0000   0.0000  4806.85  3134.48  ?   ?    85.329   32.553 0.000000 32.55330 
1 1 1  -39   37    2 o  116.551   33.826  8980.39  3389.35   0.0000   0.0000  8980.39  3389.35  ?   ?   116.551   33.826 0.000000 33.82560 
1 1 1  -39   37    3 o   49.538   23.094 -609.6044  2275.11   0.0000   0.0000 -609.6044  2275.11  ?   ?    49.538   23.094 0.000000 23.09441 
1 1 1  -39   37    4 o   91.276   31.163  5565.09  2772.24   0.0000   0.0000  5565.09  2772.24  ?   ?    91.276   31.163 0.000000 31.16293 
1 1 1  -39   37    5 o   63.108   26.851  1964.72  2409.63   0.0000   0.0000  1964.72  2409.63  ?   ?    63.108   26.851 0.000000 26.85139 
1 1 1  -39   37    6 f  102.203   32.387  7563.28  3014.87   0.0000   0.0000  7563.28  3014.87  ?   ?   102.203   32.387 0.000000 32.38671 
1 1 1  -39   37    7 o   51.907   23.289  723.265  2036.96   0.0000   0.0000  723.265  2036.96  ?   ?    51.907   23.289 0.000000 23.28944 
1 1 1  -39   37    8 o   75.782   38.262 20505.03 11212.50   0.0000   0.0000 20505.03 11212.50  ?   ?    75.782   38.262 0.000000 38.26236 
1 1 1  -39   37    9 o   55.058   23.494  1724.44  1854.42  7412.78 13608.73  1616.82  1871.88   62.201   32.091   54.303   23.397 7.898529 39.71404 
1 1 1  -39   39    1 o   69.075   30.968  3806.00  3594.23   0.0000   0.0000  3806.00  3594.23  ?   ?    69.075   30.968 0.000000 30.96824 
1 1 1  -39   39    2 o   61.342   28.124  2089.68  3173.26   0.0000   0.0000  2089.68  3173.26  ?   ?    61.342   28.124 0.000000 28.12398 
1 1 1  -39   39    3 o   68.305   31.011  4081.75  3737.60   0.0000   0.0000  4081.75  3737.60  ?   ?    68.305   31.011 0.000000 31.01100 
1 1 1  -39   39    4 o   81.333   33.806  7093.17  3682.19   0.0000   0.0000  7093.17  3682.19  ?   ?    81.333   33.806 0.000000 33.80637 
1 1 1  -38    0    1 o  527.914   38.050 115401.40 16115.53 115401.40 16115.53   0.0000   0.0000  527.914   38.050  527.914   38.050 0.000000 0.000000 
1 1 1  -38    0    3 o  167.394   13.486 11602.49  1805.60 11602.49  1805.60   0.0000   0.0000  167.394   13.486  167.394   13.486 0.000000 0.000000 
1 1 1  -38    0    4 o  279.555   20.467 32279.35  4588.67 32279.35  4588.67   0.0000   0.0000  279.555   20.467  279.555   20.467 0.000000 0.000000 
1 1 1  -38    0    5 o  935.602   65.245 366034.31 49011.38 366034.31 49011.38   0.0000   0.0000  935.602   65.245  935.602   65.245 0.000000 0.000000 
1 1 1  -38    0    6 o  172.922   14.464 12403.41  1998.14 12403.41  1998.14   0.0000   0.0000  172.922   14.464  172.922   14.464 0.000000 0.000000 
1 1 1  -38    0    8 o  927.921   46.193 357340.31 34606.69 325780.81 49001.18 388745.91 48881.54  873.035   70.168  959.206   63.397 0.000000 0.000000 
1 1 1  -38    0    9 o  605.904   27.801 150991.20 13611.78 185185.30 19316.00 117260.80 19184.60  668.812   35.804  526.981   45.622 0.000000 0.000000 
1 1 1  -38    0   10 o  191.617   10.660 15061.44  1646.75 16116.55  2406.56 14132.38  2258.23  197.272   15.233  184.479   15.319 0.000000 0.000000 
1 1 1  -38    0   11 o  ?   ?  -1503.1541  399.695 -1503.1541  399.695   0.0000   0.0000  ?   ?   ?   ?  0.000000 0.000000 
1 1 1  -38    0   12 o  353.040   18.793 51251.27  5352.35 41631.87  7657.88 60438.44  7483.85  314.050   30.705  382.139   24.346 0.000000 0.000000 
1 1 1  -38    0   13 o  ?   ?  -780.3306  183.828 -878.1219  567.143 -768.8505  194.319   14.626   10.458   14.626   10.458 0.000000 0.000000 
1 1 1  -38    0   14 o  220.451   12.549 19971.71  2229.66 18002.21  3256.28 21710.23  3059.37  207.163   19.772  228.942   16.660 0.000000 0.000000 
1 1 1  -38    0   15 o  162.344   10.389 10852.38  1356.60 10249.14  2075.82 11302.08  1792.30  155.801   16.914  164.910   13.598 0.000000 0.000000 
1 1 1  -38    0   16 o   14.448   9.9108 -256.6504  373.902 -292.4870  796.951 -246.5358  423.392   22.975   15.381   15.800   10.759 0.000000 0.000000 
1 1 1  -38    0   17 o  205.267   12.178 17362.44  2013.38 15911.02  3011.66 18535.31  2707.29  193.991   19.577  211.070   16.009 0.000000 0.000000 
1 1 1  -38    0   18 o   80.193   11.748  2787.85  716.930  4049.04  1693.73  2512.56  791.317   88.802   26.918   74.417   14.736 0.000000 0.000000 
1 1 1  -38    0   19 o  117.591   10.127  5771.31  950.396  6155.42  1782.42  5618.72  1123.42  116.822   20.740  115.199   12.371 0.000000 0.000000 
1 1 1  -38    0   20 o  103.348   10.338  4498.68  847.602  3204.22  1948.41  4800.83  941.342   72.003   31.749  106.553   11.161 0.000000 0.000000 
1 1 1  -38    0   21 o   22.241   13.243  223.014  419.728 -3602.8821  1394.07  604.406  440.152   18.944   13.890   31.557   15.030 0.000000 0.000000 
1 1 1  -38    0   22 o   64.179   14.793  1948.50  670.998  2327.58  2020.49  1901.51  711.371   59.000   31.311   62.305   16.274 0.000000 0.000000 
1 1 1  -38    0   23 o   63.930   14.465  1932.35  654.858  2097.38  1817.93  1907.75  701.984   55.536   29.630   62.407   16.027 0.000000 0.000000 
1 1 1  -38    0   24 o   22.077   13.778  145.092  503.964   0.0000   0.0000  145.092  503.964   22.077   13.778   22.077   13.778 0.000000 0.000000 
1 1 1  -38    0   25 o   58.130   16.691  1748.91  683.116   0.0000   0.0000  1748.91  683.116   58.130   16.691   58.130   16.691 0.000000 0.000000 
1 1 1  -38    2    1 o  602.779   29.622 148311.70 14498.31 146239.70 20508.88 150381.59 20498.55  595.347   42.710  603.903   42.067 -8.555847 59.94783 
1 1 1  -38    2    2 o  306.438   21.812 38430.45  5391.83 38430.45  5391.83   0.0000   0.0000  306.438   21.812  ?   ?  0.000000 21.81223 
1 1 1  -38    2    3 o  526.335   36.440 113991.20 15477.59 113991.20 15477.59   0.0000   0.0000  526.335   36.440  ?   ?  0.000000 36.44038 
1 1 1  -38    2    4 o  835.463   58.061 291540.00 39142.34 291540.00 39142.34   0.0000   0.0000  835.463   58.061  ?   ?  0.000000 58.06136 
1 1 1  -38    2    5 o   78.194   6.8464  2502.29  430.304  2414.17  639.446  2575.23  581.726   76.350   10.601   79.080   9.2336 -2.729767 14.05822 
1 1 1  -38    2    6 o  166.429   14.026 11346.71  1877.79 11346.71  1877.79   0.0000   0.0000  166.429   14.026  ?   ?  0.000000 14.02641 
1 1 1  -38    2    7 o  252.651   10.863 25953.92  2228.49 21801.89  3927.86 27924.84  2706.20  230.111   21.263  261.996   12.721 -31.88507 24.77768 
1 1 1  -38    2    8 f  764.030   29.934 240533.41 18570.09 243251.91 32225.23 239181.80 22722.19  755.035   52.898  758.994   36.870 -3.959412 64.47977 
1 1 1  -38    2    9 o  360.786   14.411 53079.52  4221.79 53866.13  7371.77 52695.62  5149.99  360.944   25.313  359.081   17.663 1.863342 30.86686 
1 1 1  -38    2   10 o  656.637   22.119 177195.30 11793.37 181220.59 16679.41 173171.00 16677.26  660.151   31.117  644.961   31.846 15.19006 44.52452 
1 1 1  -38    2   11 o  388.761   13.414 61672.23  4234.35 62369.79  5987.65 60974.37  5988.90  389.975   18.910  385.542   19.131 4.432861 26.89915 
1 1 1  -38    2   12 o  148.201   6.6445  8929.66  799.559  8978.14  1121.49  8879.54  1140.23  148.204   9.3679  147.361   9.5816 0.8428497 13.40018 
1 1 1  -38    2   13 o  112.353   6.4010  5149.48  581.526  5616.10  824.280  4687.09  820.536  117.122   8.7303  106.838   9.5597 10.28365 12.94630 
1 1 1  -38    2   14 f  193.856   7.5285 15296.07  1185.02 14772.46  1660.24 15839.85  1691.94  189.948   10.809  196.738   10.631 -6.790497 15.16109 
1 1 1  -38    2   15 o  331.963   12.099 45093.80  3261.14 43323.45  4602.46 46878.81  4621.48  323.515   17.587  336.790   16.954 -13.27502 24.42845 
1 1 1  -38    2   16 o  145.080   7.0141  8573.60  826.261  9152.35  1167.87  7993.57  1169.15  149.365   9.6817  139.431   10.402 9.934647 14.21034 
1 1 1  -38    2   17 o  221.828   8.8666 20124.48  1597.02 20019.81  2246.84 20231.36  2270.40  220.082   12.626  221.224   12.693 -1.142609 17.90316 
1 1 1  -38    2   18 o  163.001   7.6069 10873.95  1006.79 10328.81  1386.26 11482.44  1464.60  157.847   10.883  166.462   10.896 -8.615448 15.39978 
1 1 1  -38    2   19 o   65.607   7.5854  1789.79  396.632  1867.43  531.338  1692.09  596.069   66.437   10.174   62.671   12.152 3.766190 15.84873 
1 1 1  -38    2   20 o   96.705   7.2937  3868.81  568.499  3484.58  781.271  4301.21  828.789   90.725   10.819  101.120   10.235 -10.39532 14.89320 
1 1 1  -38    2   21 o  134.897   7.8085  7558.10  851.617  8027.63  1194.56  7072.85  1214.42  137.665   10.773  128.663   11.754 9.002380 15.94422 
1 1 1  -38    2   22 o   96.077   7.8848  3869.20  609.685  4395.21  834.432  3266.77  892.992  101.369   10.280   85.815   13.242 15.55344 16.76392 
1 1 1  -38    2   23 o  116.020   7.8715  5675.72  737.140  5474.79  998.726  5916.16  1092.52  111.898   11.140  115.882   11.775 -3.983749 16.20956 
1 1 1  -38    2   24 o  128.934   8.6215  7155.68  897.379  6459.30  1168.01  8158.95  1401.96  119.120   12.251  132.893   13.166 -13.77293 17.98378 
1 1 1  -38    2   25 o   20.778   9.4043 -120.7041  340.565  148.127  400.028 -828.7416  649.200   26.494   11.088   23.022   11.164 3.472826 15.73461 
1 1 1  -38    2   26 o   34.228   13.900  529.640  603.850   0.0000   0.0000  529.640  603.850  ?   ?    34.228   13.900 0.000000 13.90004 
1 1 1  -38    4    1 o  721.279   50.650 215726.30 29475.50   0.0000   0.0000 215726.30 29475.50  ?   ?   721.279   50.650 0.000000 50.65028 
1 1 1  -38    4    2 o  780.454   54.091 253249.41 34065.88 253249.41 34065.88   0.0000   0.0000  780.454   54.091  ?   ?  0.000000 54.09055 
1 1 1  -38    4    3 o  941.445   65.722 372415.59 49924.37 372415.59 49924.37   0.0000   0.0000  941.445   65.722  ?   ?  0.000000 65.72230 
1 1 1  -38    4    4 o  999.933   70.283 423244.69 56700.75 423244.69 56700.75   0.0000   0.0000  999.933   70.283  ?   ?  0.000000 70.28262 
1 1 1  -38    4    5 o  851.195   41.767 298698.50 28866.86 278257.91 40890.62 319006.19 40757.52  811.781   62.517  871.817   57.906 -60.03607 85.21442 
1 1 1  -38    4    6 o  299.596   12.431 36501.88  3024.09 34321.30  5324.31 37540.34  3674.28  289.038   22.874  303.715   14.899 -14.67722 27.29813 
1 1 1  -38    4    7 o  867.448   35.191 310819.69 24786.66 252514.00 43014.56 339804.59 30328.19  759.912   70.517  904.065   41.315 -144.1533 81.72840 
1 1 1  -38    4    8 o  590.758   28.697 143795.30 13765.05   0.0000   0.0000 143795.30 13765.05  ?   ?   590.758   28.697 0.000000 28.69659 
1 1 1  -38    4    9 o  723.648   28.434 216458.20 16707.18 228907.00 29002.63 210275.50 20439.19  729.912   49.223  709.731   35.468 20.18066 60.67043 
1 1 1  -38    4   10 o  289.716   11.914 34200.73  2802.65 41141.29  4914.17 30854.94  3411.95  316.270   19.227  274.427   15.374 41.84271 24.61819 
1 1 1  -38    4   11 o  341.605   14.195 47654.30  3937.23 43391.17  6874.08 49735.67  4803.14  322.626   26.474  348.549   16.972 -25.92261 31.44702 
1 1 1  -38    4   12 o  432.376   14.326 76421.68  5029.67 76343.64  7104.55 76500.09  7121.54  430.665   20.317  431.099   20.345 -0.4329529 28.75237 
1 1 1  -38    4   13 o  250.585   9.4777 25583.05  1928.41 26633.73  2717.48 24517.23  2736.98  254.928   13.173  244.440   13.847 10.48837 19.11207 
1 1 1  -38    4   14 o  162.175   7.0851 10702.61  932.970 10740.37  1302.26 10662.81  1337.27  161.976   9.9498  161.346   10.261 0.6306152 14.29287 
1 1 1  -38    4   15 o  111.449   6.3334  5070.16  570.761  5142.15  771.987  4983.37  847.667  111.992   8.5542  110.101   9.5773 1.891296 12.84133 
1 1 1  -38    4   16 o  156.422   7.1785  9969.51  911.732 10316.55  1261.05  9589.43  1319.72  158.571   9.8429  152.708   10.711 5.862518 14.54685 
1 1 1  -38    4   17 o  194.675   8.0403 15484.29  1270.92 16165.70  1778.11 14772.56  1817.24  198.044   11.102  189.079   11.897 8.965515 16.27293 
1 1 1  -38    4   18 o  147.569   7.4794  8935.72  893.259  9285.20  1220.35  8532.36  1311.04  149.793   10.092  143.196   11.369 6.597336 15.20253 
1 1 1  -38    4   19 o  151.404   7.3648  9408.20  905.394  9628.00  1254.60  9169.34  1307.90  152.084   10.219  148.130   10.952 3.954361 14.97904 
1 1 1  -38    4   20 o  128.352   7.2837  6801.63  755.963  6254.03  1032.95  7433.19  1109.31  121.949   10.535  133.098   10.346 -11.14959 14.76595 
1 1 1  -38    4   21 o   70.547   8.4526  2095.89  474.539  2098.52  596.610  2091.35  782.947   69.799   10.882   68.274   14.567 1.524857 18.18292 
1 1 1  -38    4   22 o   82.582   7.9029  2867.06  523.448  2714.72  664.041  3117.08  850.690   79.284   10.579   83.898   12.901 -4.614342 16.68367 
1 1 1  -38    4   23 o   20.922   9.3123 -92.7823  318.777   53.061  376.244 -463.8439  600.136   25.085   10.639   25.324   11.825 -0.2392025 15.90653 
1 1 1  -38    4   24 o   55.799   10.219  1399.92  445.913  1308.82  539.293  1596.82  792.836   52.602   12.758   55.990   16.392 -3.388226 20.77122 
1 1 1  -38    4   25 o   45.875   11.279  1007.88  417.199  1159.17  501.447  667.634  751.992   48.416   12.625   38.920   15.614 9.495457 20.07967 
1 1 1  -38    6    1 o  1179.68   84.242 596620.81 80161.27   0.0000   0.0000 596620.81 80161.27  ?   ?   1179.68   84.242 0.000000 84.24165 
1 1 1  -38    6    4 o  121.892   11.051  6088.10  1081.85   0.0000   0.0000  6088.10  1081.85  ?   ?   121.892   11.051 0.000000 11.05098 
1 1 1  -38    6    5 o  786.786   55.090 260509.91 34971.79   0.0000   0.0000 260509.91 34971.79  ?   ?   786.786   55.090 0.000000 55.08987 
1 1 1  -38    6    6 o   73.511   9.7879  2235.36  569.706   0.0000   0.0000  2235.36  569.706  ?   ?    73.511   9.7879 0.000000 9.787862 
1 1 1  -38    6    7 o  658.010   26.461 177788.20 14137.73 163036.80 24558.61 185099.91 17290.04  619.875   49.198  669.729   31.795 -49.85309 58.57767 
1 1 1  -38    6    8 o  771.000   38.410 248565.70 24045.55   0.0000   0.0000 248565.70 24045.55  ?   ?   771.000   38.410 0.000000 38.40977 
1 1 1  -38    6    9 o  378.634   15.345 58530.86  4717.63 64703.57  8247.30 55528.79  5751.53  395.274   25.839  367.699   19.332 27.57471 32.27030 
1 1 1  -38    6   10 o  409.613   16.677 68624.19  5546.73 70329.71  9675.00 67789.16  6769.75  410.582   29.212  405.818   20.613 4.763916 35.75180 
1 1 1  -38    6   11 o  417.397   16.802 71338.35  5694.32 80139.77  9927.11 67022.27  6951.70  438.246   28.045  402.988   21.321 35.25742 35.22913 
1 1 1  -38    6   12 o  748.901   30.001 234902.70 18242.83 242792.50 31659.28 230980.80 22321.07  736.026   53.337  735.500   37.501 0.5261841 65.20038 
1 1 1  -38    6   13 o  221.325   10.021 19969.26  1800.90 20725.94  3207.24 19620.82  2176.40  223.812   17.796  218.819   12.299 4.993118 21.63226 
1 1 1  -38    6   14 o  255.315   11.241 26627.01  2330.43 26211.35  4128.12 26821.44  2823.34  250.770   20.452  255.520   13.658 -4.749542 24.59307 
1 1 1  -38    6   15 o  499.060   20.320 103551.40  8234.15 104955.60 14347.05 102861.70 10055.06  488.850   36.406  493.740   25.165 -4.889496 44.25668 
1 1 1  -38    6   16 f  197.256   8.1694 15876.19  1308.46 15742.31  1829.49 16016.38  1872.12  195.599   11.571  197.261   11.741 -1.662201 16.48464 
1 1 1  -38    6   17 o   92.898   6.7996  3539.74  509.326  3690.93  655.636  3309.62  808.844   94.584   8.6322   88.955   11.465 5.628441 14.35152 
1 1 1  -38    6   18 o  127.686   7.1362  6692.58  736.896  6592.30  971.623  6828.35  1130.61  126.176   9.5547  128.032   10.982 -1.856018 14.55661 
1 1 1  -38    6   19 o   17.953   8.0852 -122.2373  248.074 -284.0678  290.137  317.681  478.364   17.491   8.1848   32.986   12.686 -15.49488 15.09685 
1 1 1  -38    6   20 o  143.728   7.7573  8547.90  901.937  9187.74  1235.50  7817.85  1319.72  147.958   10.349  135.605   12.113 12.35310 15.93243 
1 1 1  -38    6   21 o   75.729   8.3659  2411.72  505.825  2459.88  644.386  2334.40  816.463   75.652   10.797   72.185   14.434 3.467514 18.02546 
1 1 1  -38    6   22 o   64.180   8.4877  1753.29  431.459  1869.64  519.859  1495.75  773.456   65.726   10.061   56.543   16.082 9.183304 18.97016 
1 1 1  -38    6   23 o   52.116   9.7268  1196.52  396.466  910.585  467.586  1927.92  747.829   44.592   12.442   63.849   14.725 -19.25663 19.27810 
1 1 1  -38    6   24 o   58.266   9.9402  1521.59  453.397  1442.62  529.613  1738.29  877.276   55.511   12.092   57.445   17.348 -1.933586 21.14683 
1 1 1  -38    6   25 o   83.220   9.1493  3113.00  608.028  3875.13  738.244  1505.75  1072.07   92.051   10.040   49.754   19.025 42.29758 21.51132 
1 1 1  -38    8    1 o  350.588   26.645 50504.25  7528.21   0.0000   0.0000 50504.25  7528.21  ?   ?   350.588   26.645 0.000000 26.64516 
1 1 1  -38    8    2 o  1074.19   77.307 496702.91 66977.21   0.0000   0.0000 496702.91 66977.21  ?   ?   1074.19   77.307 0.000000 77.30706 
1 1 1  -38    8    3 o  1287.38   94.886 736875.88 98486.00 736875.88 98486.00   0.0000   0.0000  1287.38   94.886  ?   ?  0.000000 94.88571 
1 1 1  -38    8    4 o  727.493   51.124 222236.00 30006.94 222236.00 30006.94   0.0000   0.0000  727.493   51.124  ?   ?  0.000000 51.12367 
1 1 1  -38    8    5 f  467.531   33.075 90470.79 12474.88 90470.79 12474.88   0.0000   0.0000  467.531   33.075  ?   ?  0.000000 33.07499 
1 1 1  -38    8    7 o  314.827   22.469 40833.20  5705.92   0.0000   0.0000 40833.20  5705.92  ?   ?   314.827   22.469 0.000000 22.46865 
1 1 1  -38    8    8 o  368.056   26.105 56114.01  7750.94   0.0000   0.0000 56114.01  7750.94  ?   ?   368.056   26.105 0.000000 26.10532 
1 1 1  -38    8    9 o   70.275   7.4667  2030.38  419.526   0.0000   0.0000  2030.38  419.526  ?   ?    70.275   7.4667 0.000000 7.466668 
1 1 1  -38    8   10 o   58.309   8.3476  1411.09  383.942   0.0000   0.0000  1411.09  383.942  ?   ?    58.309   8.3476 0.000000 8.347590 
1 1 1  -38    8   11 o   18.233   8.2457 -147.8685  261.185   0.0000   0.0000 -147.8685  261.185  ?   ?    18.233   8.2457 0.000000 8.245665 
1 1 1  -38    8   12 o  473.909   23.585 93078.98  9075.45   0.0000   0.0000 93078.98  9075.45  ?   ?   473.909   23.585 0.000000 23.58495 
1 1 1  -38    8   13 o  377.759   19.171 59010.71  5861.08   0.0000   0.0000 59010.71  5861.08  ?   ?   377.759   19.171 0.000000 19.17124 
1 1 1  -38    8   14 o  113.243   7.9213  5248.52  723.771  4318.91  1535.55  5514.03  820.648  100.523   19.517  115.982   8.7792 -15.45982 21.40055 
1 1 1  -38    8   15 o  116.766   8.4013  5588.33  791.207  6584.06  1659.84  5295.56  900.042  125.196   16.748  113.440   9.8698 11.75654 19.43969 
1 1 1  -38    8   16 o  116.542   8.6160  5578.27  809.542  8138.69  1723.27  4853.22  917.028  139.382   15.489  108.329   10.560 31.05365 18.74592 
1 1 1  -38    8   17 o   25.196   11.253 -189.4871  469.877  1461.63  1167.20 -508.8175  513.307   60.009   20.222   23.204   10.867 36.80505 22.95705 
1 1 1  -38    8   18 o  217.806   10.842 19653.25  1917.43 18521.21  3511.20 20134.30  2288.85  204.717   21.441  219.191   12.918 -14.47356 25.03193 
1 1 1  -38    8   19 o  164.091   7.8087 11082.88  1040.41 10531.14  1412.18 11737.87  1538.67  158.527   11.040  167.232   11.399 -8.705032 15.86915 
1 1 1  -38    8   20 o  167.492   8.0826 11605.54  1099.21 12486.69  1508.29 10607.44  1605.28  172.151   10.846  157.579   12.653 14.57178 16.66515 
1 1 1  -38    8   21 o  220.831   9.7849 20500.85  1754.51 20310.64  2440.41 20704.34  2524.22  215.600   14.017  217.276   14.389 -1.675369 20.08775 
1 1 1  -38    8   22 o   49.704   9.5073  1077.25  369.712  1110.04  428.730  982.141  730.189   50.024   10.866   47.017   15.994 3.007313 19.33574 
1 1 1  -38    8   23 o  120.285   8.0127  6138.99  778.100  5407.07  995.333  7289.24  1247.77  110.584   11.241  127.641   12.187 -17.05721 16.58018 
1 1 1  -38    8   24 o   65.712   9.8968  1935.93  511.676  1672.29  571.410  3002.80  1149.47   59.559   12.225   73.555   19.083 -13.99596 22.66324 
1 1 1  -38    8   25 o   40.134   11.416  788.077  389.740  502.496  432.374  2025.72  900.104   33.315   12.215   58.399   17.558 -25.08343 21.38901 
1 1 1  -38   10    1 o  203.423   18.780 17014.45  3066.91   0.0000   0.0000 17014.45  3066.91  ?   ?   203.423   18.780 0.000000 18.77997 
1 1 1  -38   10    2 o  775.993   43.770 251132.20 27465.78   0.0000   0.0000 251132.20 27465.78  ?   ?   775.993   43.770 0.000000 43.76958 
1 1 1  -38   10    3 f  529.635   25.898 114918.10 11137.32 116441.10 15880.82 113444.00 15623.42  529.386   37.181  522.533   37.064 6.853760 52.49939 
1 1 1  -38   10    4 o  520.830   26.832 111609.70 11308.78 89752.71 16071.45 133045.30 15915.73  461.821   43.367  566.306   34.781 -104.4849 55.59162 
1 1 1  -38   10    5 o  518.750   26.106 110801.40 10961.04 97636.73 15555.14 123785.30 15447.91  482.250   40.088  545.377   35.071 -63.12790 53.26370 
1 1 1  -38   10    6 f  558.541   27.715 128581.80 12569.36 118353.20 17822.64 138703.50 17729.24  529.360   41.805  575.100   38.184 -45.73944 56.61907 
1 1 1  -38   10    7 o  129.228   9.0826  6825.75  946.972  7826.03  1369.01  5908.03  1311.29  138.060   12.343  119.602   13.753 18.45810 18.47933 
1 1 1  -38   10    9 o  185.334   9.8568 14021.31  1477.97 19487.81  2241.51  9816.70  1965.84  218.246   12.704  154.160   15.935 64.08609 20.37928 
1 1 1  -38   10   10 o  449.558   22.717 83553.34  8265.48 80569.16 11813.94 86414.66 11568.23  436.830   33.564  453.445   31.618 -16.61533 46.11121 
1 1 1  -38   10   11 o  565.140   27.398 133082.20 12572.29 140882.50 17899.04 125486.20 17663.12  573.108   38.691  539.279   40.637 33.82935 56.10974 
1 1 1  -38   10   12 o  524.785   26.472 115253.50 11243.36 113040.50 16017.01 117403.30 15786.52  510.998   38.895  521.943   37.500 -10.94534 54.02852 
1 1 1  -38   10   13 o  148.881   13.846  9156.74  1654.66   0.0000   0.0000  9156.74  1654.66  ?   ?   148.881   13.846 0.000000 13.84639 
1 1 1  -38   10   14 f  120.537   13.039  6022.36  1255.81   0.0000   0.0000  6022.36  1255.81  ?   ?   120.537   13.039 0.000000 13.03887 
1 1 1  -38   10   15 o   73.470   13.987  2293.13  803.913   0.0000   0.0000  2293.13  803.913  ?   ?    73.470   13.987 0.000000 13.98681 
1 1 1  -38   10   16 f  179.721   17.164 13605.05  2474.25   0.0000   0.0000 13605.05  2474.25  ?   ?   179.721   17.164 0.000000 17.16406 
1 1 1  -38   10   17 o  222.983   19.185 21376.52  3439.65   0.0000   0.0000 21376.52  3439.65  ?   ?   222.983   19.185 0.000000 19.18464 
1 1 1  -38   10   18 o   26.812   13.003 -1415.5200  881.537   0.0000   0.0000 -1415.5200  881.537  ?   ?    26.812   13.003 0.000000 13.00336 
1 1 1  -38   10   19 o   39.147   16.943  -0.0091  990.739   0.0000   0.0000  -0.0091  990.739  ?   ?    39.147   16.943 0.000000 16.94348 
1 1 1  -38   10   20 o  142.754   18.277  9237.86  2069.84   0.0000   0.0000  9237.86  2069.84  ?   ?   142.754   18.277 0.000000 18.27676 
1 1 1  -38   10   21 o   60.859   21.766  1726.55  1362.03   0.0000   0.0000  1726.55  1362.03  ?   ?    60.859   21.766 0.000000 21.76579 
1 1 1  -38   10   22 o   57.812   22.135  1582.57  1452.43   0.0000   0.0000  1582.57  1452.43  ?   ?    57.812   22.135 0.000000 22.13471 
1 1 1  -38   12    1 o  340.544   26.555 47907.08  7284.83   0.0000   0.0000 47907.08  7284.83  ?   ?   340.544   26.555 0.000000 26.55547 
1 1 1  -38   12    2 o  684.962   31.082 193601.30 17287.00 186286.59 30109.45 197198.09 21113.69  657.457   56.965  687.607   37.964 -30.14948 68.45662 
1 1 1  -38   12    3 o  183.002   11.450 13681.32  1692.88 13308.42  2566.28 13968.59  2252.47  179.673   17.826  184.493   15.171 -4.819962 23.40757 
1 1 1  -38   12    4 o  391.417   20.412 62867.60  6464.79 58555.34  9293.12 66911.38  8999.16  375.162   30.778  402.075   27.735 -26.91302 41.43088 
1 1 1  -38   12    5 o  422.377   21.900 73349.41  7484.93 65517.26 10692.22 80875.89 10481.49  395.726   33.594  441.402   29.413 -45.67593 44.65069 
1 1 1  -38   12    6 o   83.747   8.7939  2883.64  589.050  2987.89  892.396  2803.15  784.148   84.584   13.443   82.081   12.131 2.503426 18.10776 
1 1 1  -38   12    7 o  313.667   16.306 40310.88  4138.54 42563.23  5934.92 38179.05  5773.95  320.936   22.926  303.710   23.599 17.22650 32.90172 
1 1 1  -38   12    8 o  553.219   27.827 127146.90 12460.08 120141.40 17690.84 134043.30 17552.40  530.470   41.400  562.187   38.687 -31.71722 56.66294 
1 1 1  -38   12    9 o  574.155   22.020 135783.80 10265.55 160217.20 17948.67 123905.90 12514.45  615.350   36.081  545.212   28.367 70.13824 45.89651 
1 1 1  -38   12   10 o  749.864   29.949 235228.41 18235.16 258712.41 31748.27 223667.00 22276.10  763.369   51.522  723.841   38.035 39.52777 64.04070 
1 1 1  -38   12   11 o  651.645   31.150 178882.80 16481.79 194254.91 23485.07 163963.70 23136.39  666.437   43.641  608.404   47.204 58.03308 64.28678 
1 1 1  -38   12   12 o  338.334   14.332 46900.18  3937.34 46565.06  7015.71 47054.26  4757.15  332.668   26.185  337.730   17.407 -5.062317 31.44254 
1 1 1  -38   12   13 o  494.704   19.638 101359.30  7888.41 112281.70 13852.29 96117.32  9596.44  510.125   33.632  478.371   24.791 31.75381 41.78167 
1 1 1  -38   12   14 o  298.976   12.632 36658.52  3066.48 41719.73  5544.01 34427.59  3680.78  315.145   21.800  288.517   15.772 26.62781 26.90679 
1 1 1  -38   12   15 o  266.362   11.572 29128.88  2502.85 36777.03  4611.41 25935.08  2979.96  295.800   19.306  250.059   14.742 45.74034 24.29065 
1 1 1  -38   12   16 o  281.802   12.513 32849.81  2863.15 36838.27  5230.11 31143.03  3421.35  291.944   22.230  272.624   15.520 19.31989 27.11215 
1 1 1  -38   12   17 o  184.928   10.106 14160.70  1511.73 14731.76  2981.79 13963.14  1753.84  183.348   20.374  182.955   11.870 0.3935394 23.57935 
1 1 1  -38   12   18 o   34.988   13.285  381.455  520.434 -1302.4500  1439.44  634.677  558.195   38.349   18.036   40.378   13.975 -2.029613 22.81664 
1 1 1  -38   12   19 o  129.857   10.287  7083.95  1075.79  5950.42  2126.77  7473.71  1247.11  110.893   24.292  132.767   11.688 -21.87387 26.95730 
1 1 1  -38   12   20 o   18.691   9.2255 -1074.9420  506.300  494.332  1624.89 -1243.6820  532.825   51.497   21.984   18.571   9.2189 32.92602 23.83849 
1 1 1  -38   12   21 o  107.685   10.632  4982.77  917.469  3279.97  2110.64  5379.48  1018.75   76.762   27.133  111.465   11.417 -34.70310 29.43730 
1 1 1  -38   12   22 o   22.625   10.919 -830.4823  602.619  949.032  1637.01 -1109.4340  648.133   52.165   22.162   22.123   10.821 30.04198 24.66296 
1 1 1  -38   12   23 o   56.146   17.152  1633.99  853.954  1945.83  2524.44  1593.69  907.450   58.223   26.039   55.134   17.800 3.088558 31.54128 
1 1 1  -38   12   24 o   31.192   13.943   31.643  722.915   0.0000   0.0000   31.643  722.915  ?   ?    31.192   13.943 0.000000 13.94305 
1 1 1  -38   14    1 o  486.548   34.804 98887.62 13658.80   0.0000   0.0000 98887.62 13658.80  ?   ?   486.548   34.804 0.000000 34.80375 
1 1 1  -38   14    2 o  378.111   17.687 58413.37  5430.18 49499.57  9637.11 62559.95  6572.96  343.244   35.071  390.285   20.817 -47.04071 40.78373 
1 1 1  -38   14    3 o  449.598   18.918 82687.05  6906.08 84727.55 12092.82 81699.46  8412.95  450.429   33.301  445.443   23.342 4.986084 40.66652 
1 1 1  -38   14    4 o  268.576   14.078 29493.23  3059.46 34887.93  4537.38 24995.73  4142.92  291.321   19.291  246.071   20.934 45.24995 28.46727 
1 1 1  -38   14    5 o  266.660   15.043 29113.26  3243.74 27012.63  4765.89 30926.14  4427.45  255.312   23.244  273.995   20.040 -18.68231 30.69034 
1 1 1  -38   14    6 o   87.493   9.7293  3153.54  679.483  2018.81  1075.36  3907.68  876.663   69.075   18.710   97.302   11.307 -28.22626 21.86147 
1 1 1  -38   14    7 o  149.537   14.172  9208.97  1700.26   0.0000   0.0000  9208.97  1700.26  ?   ?   149.537   14.172 0.000000 14.17241 
1 1 1  -38   14    8 o  485.390   24.461 97615.14  9609.55 97817.42 13712.07 97419.89 13471.06  480.681   35.381  480.019   34.799 0.6622314 49.62638 
1 1 1  -38   14    9 o  386.331   19.819 61551.68  6196.12 62974.64  8886.74 60205.52  8643.59  387.636   28.433  379.034   28.289 8.601532 40.10855 
1 1 1  -38   14   10 o  334.260   14.178 45708.04  3848.09 46701.30  6914.18 45262.32  4631.71  334.076   25.686  331.585   17.263 2.491333 30.94800 
1 1 1  -38   14   11 o  228.173   14.418 21410.24  2657.42 14431.34  4029.57 26781.48  3535.11  183.587   27.911  254.649   17.198 -71.06149 32.78411 
1 1 1  -38   14   12 o  388.625   15.694 62073.17  4952.38 65210.31  8831.28 60634.08  5981.38  392.312   27.906  382.432   19.325 9.880493 33.94391 
1 1 1  -38   14   13 o  197.321   10.159 15946.31  1622.15 15330.97  3153.97 16167.63  1891.50  190.866   20.682  198.391   11.795 -7.524689 23.80920 
1 1 1  -38   14   14 o  209.258   9.6711 17905.25  1643.22 23653.88  3150.44 15756.87  1925.95  238.408   16.374  195.527   12.192 42.88052 20.41439 
1 1 1  -38   14   15 o  258.779   11.995 27605.88  2520.36 28415.50  4649.76 27269.04  2999.18  256.856   22.522  255.925   14.492 0.9308777 26.78200 
1 1 1  -38   14   16 o  110.096   9.8077  5028.92  867.578  3590.15  1969.14  5375.48  966.435   88.500   25.811  113.657   10.594 -25.15703 27.90042 
1 1 1  -38   14   17 o   25.962   11.668 -226.5233  513.567 -188.7737  1489.63 -231.6155  547.110   46.273   20.385   26.880   12.065 19.39227 23.68774 
1 1 1  -38   14   18 o   87.547   11.131  3251.90  773.361  3229.02  1940.48  3256.22  843.222   81.831   25.988   87.222   12.244 -5.390465 28.72800 
1 1 1  -38   14   19 f  106.470   10.840  4810.99  924.059  2263.39  2258.27  5323.33  1012.72   71.195   27.512  111.838   11.308 -40.64331 29.74475 
1 1 1  -38   14   20 o   75.370   13.805  2536.75  813.726  4368.10  2213.25  2250.51  875.011   89.150   27.676   69.991   15.775 19.15873 31.85623 
1 1 1  -38   14   21 o   38.108   14.438  529.210  613.934 -902.4763  1849.55  706.489  650.835   43.842   20.563   41.558   15.024 2.284519 25.46690 
1 1 1  -38   14   22 o   50.617   17.483  1244.13  873.396  2649.60  2594.69  1064.53  927.522   65.254   27.816   48.095   17.845 17.15899 33.04821 
1 1 1  -38   14   23 o   24.056   11.439 -578.0568  609.744 -5423.8081  2155.84 -156.7192  635.700   31.807   16.139   28.258   12.814 3.548817 20.60744 
1 1 1  -38   14   24 o   39.819   16.479  746.524  869.497   0.0000   0.0000  746.524  869.497  ?   ?    39.819   16.479 0.000000 16.47905 
1 1 1  -38   16    1 o  189.433   12.854 14689.60  1965.38   0.0000   0.0000 14689.60  1965.38  ?   ?   189.433   12.854 0.000000 12.85375 
1 1 1  -38   16    2 o  161.694   9.7221 10675.82  1270.48 14998.90  2429.45  9048.55  1490.54  191.015   15.806  148.505   12.477 42.50998 20.13709 
1 1 1  -38   16    3 f  352.219   15.836 50669.06  4529.05 48558.24  8024.69 51655.72  5486.38  341.176   29.250  354.644   19.123 -13.46753 34.94688 
1 1 1  -38   16    4 o  222.973   13.813 20358.15  2488.51 18695.64  3815.82 21588.52  3282.62  212.098   22.501  229.011   17.793 -16.91370 28.68576 
1 1 1  -38   16    5 o  356.309   19.539 52220.90  5631.15 46855.61  8215.05 56976.23  7734.00  334.259   30.608  370.456   25.874 -36.19708 40.07903 
1 1 1  -38   16    6 o  456.775   23.404 86257.54  8651.07 85731.05 12471.83 86745.77 12010.16  450.758   34.334  454.184   32.787 -3.426270 47.47481 
1 1 1  -38   16    7 o  476.552   23.417 93788.32  9061.23 101633.70 13042.07 86467.55 12598.46  491.067   32.899  451.905   34.597 39.16220 47.74241 
1 1 1  -38   16    8 o  163.744   11.040 10980.22  1459.19 14295.13  2267.77  8638.05  1906.22  186.310   15.121  144.260   16.575 42.05019 22.43611 
1 1 1  -38   16    9 o  411.259   21.154 70026.55  7039.83 71617.00 10139.99 68546.60  9781.35  411.634   30.556  402.896   30.118 8.738159 42.90388 
1 1 1  -38   16   10 o  274.644   12.090 30818.07  2696.01 28998.77  5031.73 31550.68  3193.02  263.035   23.818  277.197   14.235 -14.16183 27.74725 
1 1 1  -38   16   11 o  189.070   9.3314 14575.56  1432.54 16078.37  2848.30 14066.70  1657.42  196.637   18.041  185.253   11.069 11.38434 21.16582 
1 1 1  -38   16   12 o  469.275   17.903 91088.30  6821.68 98895.01 12159.78 87502.93  8240.60  478.991   31.440  457.694   22.174 21.29715 38.47259 
1 1 1  -38   16   13 o  237.713   10.899 23142.65  2103.63 25402.65  4067.70 22317.53  2457.83  245.539   20.593  232.643   13.064 12.89627 24.38736 
1 1 1  -38   16   14 o  165.821   9.1583 11290.60  1228.31 13862.64  2614.87 10562.37  1391.37  181.050   18.027  160.018   10.771 21.03172 20.99995 
1 1 1  -38   16   15 o  169.023   9.8510 11791.45  1346.10 10029.43  2833.95 12304.81  1529.67  149.863   24.107  172.335   10.989 -22.47270 26.49334 
1 1 1  -38   16   16 o   95.898   9.4010  3827.30  722.603  3531.64  1712.15  3891.38  797.069   87.432   23.578   96.463   10.338 -9.030136 25.74462 
1 1 1  -38   16   17 o  154.247   9.8573  9907.16  1228.10 11046.66  2704.03  9611.02  1378.48  155.684   22.004  151.322   11.301 4.361969 24.73631 
1 1 1  -38   16   18 o  253.452   12.139 27153.52  2498.16 32166.13  4888.41 25381.69  2906.33  261.839   23.234  242.317   14.843 19.52182 27.57076 
1 1 1  -38   16   19 o   60.769   14.747  1670.81  720.260  2264.93  2071.58  1589.11  768.187   69.534   26.479   59.005   15.742 10.52889 30.80566 
1 1 1  -38   16   20 o   97.133   11.834  4114.27  914.024  4508.61  2227.91  4034.47  1002.26   88.766   27.803   95.334   13.311 -6.567497 30.82460 
1 1 1  -38   16   21 o  130.330   10.929  7406.94  1145.89 11141.97  2798.90  6654.83  1255.97  141.572   25.276  121.891   12.886 19.68139 28.37076 
1 1 1  -38   16   22 o   92.503   17.054  4305.24  1233.75  150.399  2691.79  5410.19  1388.14   51.217   24.262  103.903   17.045 -52.68544 29.65062 
1 1 1  -38   16   23 o   28.257   13.344 -513.6937  802.773   0.0000   0.0000 -513.6937  802.773  ?   ?    28.257   13.344 0.000000 13.34425 
1 1 1  -38   18    1 o  484.511   25.147 97132.03  9859.12   0.0000   0.0000 97132.03  9859.12  ?   ?   484.511   25.147 0.000000 25.14732 
1 1 1  -38   18    2 o  233.810   14.655 22408.31  2768.21   0.0000   0.0000 22408.31  2768.21  ?   ?   233.810   14.655 0.000000 14.65541 
1 1 1  -38   18    3 o  248.185   12.121 25109.62  2442.68 28228.80  4457.82 23771.21  2920.09  261.226   21.200  240.760   15.012 20.46619 25.97674 
1 1 1  -38   18    4 o  426.982   17.479 74680.30  6059.90 79269.15 10660.42 72489.61  7365.70  435.047   30.369  419.123   21.718 15.92358 37.33596 
1 1 1  -38   18    5 o  260.057   16.825 27811.57  3533.74 18751.88  5357.84 34786.78  4701.23  209.243   32.597  290.233   20.073 -80.99013 38.28178 
1 1 1  -38   18    6 o  158.468   14.953 10360.86  1901.33   0.0000   0.0000 10360.86  1901.33  ?   ?   158.468   14.953 0.000000 14.95348 
1 1 1  -38   18    7 o  221.271   14.115 20101.68  2522.68 17683.06  3884.85 21865.17  3317.23  205.313   23.741  230.055   17.899 -24.74252 29.73275 
1 1 1  -38   18    8 o  495.054   25.879 102437.40 10366.47 98861.35 14951.91 105747.50 14385.31  477.837   38.874  496.519   35.924 -18.68155 52.93150 
1 1 1  -38   18    9 o  347.684   18.268 49942.51  5139.04 54461.12  7565.46 46071.29  7002.55  359.959   26.061  330.834   26.285 29.12546 37.01435 
1 1 1  -38   18   10 f  121.994   21.353  6349.85  2038.02  6349.85  2038.02   0.0000   0.0000  121.994   21.353  ?   ?  0.000000 21.35250 
1 1 1  -38   18   11 o  125.783   8.1150  6475.11  824.372  9080.72  2157.24  6029.54  892.077  146.973   18.486  121.226   9.1300 25.74748 20.61753 
1 1 1  -38   18   12 o   23.314   9.5483   74.971  287.985  1017.77  1308.48   26.977  295.224   56.283   21.133   22.608   9.4974 33.67562 23.16892 
1 1 1  -38   18   13 o   21.486   9.9323 -332.5913  407.412  841.491  1267.78 -467.8052  430.233   53.470   20.627   20.893   9.8369 32.57689 22.85261 
1 1 1  -38   18   14 o  124.527   8.6165  6387.56  865.870  7587.33  2118.81  6147.02  948.703  131.772   20.467  121.921   9.6624 9.851006 22.63317 
1 1 1  -38   18   15 o  135.763   9.2918  7627.94  1018.13  7514.40  2392.20  7653.06  1125.11  128.385   23.825  135.699   10.288 -7.312943 25.95137 
1 1 1  -38   18   16 o  120.118   9.1473  5994.42  885.442  5429.94  2250.17  6097.84  963.144  106.256   26.237  120.924   9.8961 -14.66728 28.04159 
1 1 1  -38   18   17 o  103.807   10.241  4534.67  851.935  3691.17  2308.46  4667.67  916.641   85.828   28.431  105.090   10.901 -19.26147 30.44873 
1 1 1  -38   18   18 o   27.154   12.025 -131.2107  524.938 -1274.1740  1970.12 -43.8646  544.627   45.382   21.266   28.758   12.505 16.62401 24.66966 
1 1 1  -38   18   19 o   33.256   13.618  230.734  585.615 -991.3039  2256.32  319.000  606.395   48.933   22.875   34.976   14.025 13.95746 26.83198 
1 1 1  -38   18   20 o  120.580   11.333  6336.53  1096.60  4033.14  2847.33  6737.69  1188.27   78.602   30.747  123.894   11.961 -45.29171 32.99133 
1 1 1  -38   18   21 o   51.161   19.666  1245.70  1149.33  4797.88  2977.07  623.536  1245.93   77.362   31.057   45.328   19.298 32.03407 36.56376 
1 1 1  -38   18   22 o   80.674   20.118  3726.89  1313.31  7383.67  3576.88  3157.10  1411.93   77.791   32.889   70.952   22.118 6.838768 39.63458 
1 1 1  -38   18   23 o   51.807   19.831  1792.88  1165.62   0.0000   0.0000  1792.88  1165.62  ?   ?    51.807   19.831 0.000000 19.83074 
1 1 1  -38   20    1 o  584.151   28.966 142151.80 13738.92   0.0000   0.0000 142151.80 13738.92  ?   ?   584.151   28.966 0.000000 28.96603 
1 1 1  -38   20    2 o  256.942   16.396 27139.57  3402.74   0.0000   0.0000 27139.57  3402.74  ?   ?   256.942   16.396 0.000000 16.39553 
1 1 1  -38   20    3 o  377.479   17.714 58450.46  5429.44 55366.33  9787.26 59821.52  6525.61  361.134   33.770  380.471   21.208 -19.33679 39.87666 
1 1 1  -38   20    4 o  361.495   20.740 54016.29  6062.10 48981.54  9053.62 58107.98  8161.78  339.428   33.278  372.655   27.161 -33.22632 42.95494 
1 1 1  -38   20    5 o  174.740   16.428 12626.95  2303.50   0.0000   0.0000 12626.95  2303.50  ?   ?   174.740   16.428 0.000000 16.42808 
1 1 1  -38   20    6 o  425.464   22.868 75221.08  7870.98 73582.33 11572.64 76631.66 10736.80  414.679   34.689  425.227   31.317 -10.54788 46.73420 
1 1 1  -38   20    7 o  159.861   12.378 10505.22  1594.17 11874.25  2697.50  9770.45  1976.20  168.419   20.124  153.462   16.099 14.95741 25.77162 
1 1 1  -38   20    8 o  248.489   15.496 25450.76  3111.02 23442.39  4791.43 26914.52  4090.52  235.427   25.471  254.324   19.969 -18.89711 32.36589 
1 1 1  -38   20    9 o  143.505   22.006  8762.27  2482.38  8762.27  2482.38   0.0000   0.0000  143.505   22.006  ?   ?  0.000000 22.00622 
1 1 1  -38   20   10 o  317.890   17.715 41982.43  4554.36 45052.88  6877.31 39584.11  6078.15  325.003   26.286  305.377   24.725 19.62677 36.08741 
1 1 1  -38   20   11 o  238.635   10.141 23312.22  1964.89 30422.86  4189.87 21307.53  2224.69  269.078   19.305  227.439   12.090 41.63971 22.77872 
1 1 1  -38   20   12 o  221.027   9.9095 20039.91  1778.42 23768.08  3892.51 19056.38  1999.29  235.980   20.519  214.858   11.502 21.12186 23.52295 
1 1 1  -38   20   13 o   84.685   8.8782  2973.98  601.392  2574.65  1973.50  3014.86  631.424   77.495   26.294   85.189   9.2786 -7.693771 27.88295 
1 1 1  -38   20   14 o   66.951   10.146  1891.23  534.290  3592.61  1918.41  1748.16  556.301   87.966   25.425   64.088   11.092 23.87811 27.73904 
1 1 1  -38   20   15 f  229.674   11.365 21991.65  2119.41 24055.83  4478.37 21395.91  2405.89  228.733   24.494  225.163   13.217 3.570190 27.83260 
1 1 1  -38   20   16 o  215.813   11.905 19640.26  2078.03 15379.66  4467.59 20816.53  2347.42  170.866   33.399  221.323   13.121 -50.45757 35.88387 
1 1 1  -38   20   17 o   50.633   14.036  1139.16  597.115  1609.57  2265.54  1104.04  619.001   65.944   26.868   49.909   14.447 16.03577 30.50612 
1 1 1  -38   20   18 o   75.586   12.636  2513.95  748.135  5189.87  2592.71  2270.91  781.372   95.108   30.023   71.151   14.024 23.95728 33.13637 
1 1 1  -38   20   19 o   82.366   12.462  3009.09  807.360  744.958  2508.05  3270.83  852.751   58.148   25.983   85.847   12.609 -27.69931 28.88136 
1 1 1  -38   20   20 o   25.221   12.421 -1632.9460  901.111 -5767.6870  2645.53 -1090.2740  958.422   37.474   18.878   28.986   13.933 8.487745 23.46305 
1 1 1  -38   20   21 o   87.759   20.036  4249.26  1396.33  3753.21  3657.51  4333.89  1510.76   64.348   29.751   86.626   21.563 -22.27760 36.74371 
1 1 1  -38   20   22 o   49.412   19.480  1463.71  1150.73  4057.51  3760.67  1195.76  1208.71   57.061   27.471   46.565   19.363 10.49590 33.60923 
1 1 1  -38   22    1 o  185.280   14.824 14139.04  2211.47   0.0000   0.0000 14139.04  2211.47  ?   ?   185.280   14.824 0.000000 14.82405 
1 1 1  -38   22    2 o  264.496   16.859 28824.23  3601.76   0.0000   0.0000 28824.23  3601.76  ?   ?   264.496   16.859 0.000000 16.85873 
1 1 1  -38   22    3 o  186.943   15.428 14417.29  2320.92   0.0000   0.0000 14417.29  2320.92  ?   ?   186.943   15.428 0.000000 15.42803 
1 1 1  -38   22    4 o  468.938   21.511 91008.80  8190.43 88457.50 14591.77 92182.38  9896.50  450.240   40.342  469.201   26.080 -18.96103 48.03760 
1 1 1  -38   22    5 f  573.567   25.033 137308.80 11658.27 132516.30 20473.90 139608.41 14182.02  543.817   46.824  573.828   30.548 -30.01099 55.90745 
1 1 1  -38   22    6 o  386.695   22.394 62384.22  7001.33 55937.42 10478.07 67584.27  9410.50  358.220   36.536  398.824   29.264 -40.60464 46.81062 
1 1 1  -38   22    7 o  537.280   27.957 122467.60 12154.02 127170.10 17758.81 118324.30 16669.61  534.302   41.254  516.611   40.053 17.69177 57.49871 
1 1 1  -38   22    8 o  220.658   24.578 20736.94  4328.70 20736.94  4328.70   0.0000   0.0000  220.658   24.578  ?   ?  0.000000 24.57781 
1 1 1  -38   22    9 o  171.364   13.345 12151.45  1842.24 13736.95  3178.73 11349.57  2260.60  179.404   22.303  164.553   17.172 14.85170 28.14775 
1 1 1  -38   22   10 o  221.506   14.847 20416.25  2654.82 21465.71  4314.45 19776.74  3367.92  222.794   24.241  216.155   19.396 6.638809 31.04535 
1 1 1  -38   22   11 o  263.810   16.839 29302.17  3588.12 28017.11  5624.24 30184.21  4659.55  250.144   28.182  264.566   21.887 -14.42162 35.68280 
1 1 1  -38   22   12 o   43.104   10.663  796.664  371.121 -2212.3201  1924.54  912.878  378.220   42.463   20.229   46.173   10.345 -3.709682 22.72066 
1 1 1  -38   22   13 o   54.317   10.650  1261.81  452.927  4674.27  2314.53  1125.93  461.857   99.065   27.696   51.113   11.417 47.95205 29.95684 
1 1 1  -38   22   14 o   15.176   7.4700 -679.3909  324.319 -2904.7161  2221.61 -630.9339  327.832   43.423   20.958   15.672   7.6723 27.75137 22.31832 
1 1 1  -38   22   15 o  132.236   9.5441  7297.11  1017.88  7192.17  2911.85  7311.71  1086.42  118.065   30.241  132.113   10.207 -14.04845 31.91688 
1 1 1  -38   22   16 o   29.435   12.206  122.561  478.375 -1379.1340  2547.55  177.447  487.038   51.824   24.252   30.524   12.450 21.29991 27.26047 
1 1 1  -38   22   17 o   83.218   11.312  2989.95  744.568  2936.51  3065.47  2993.30  767.554   76.284   31.187   83.098   11.700 -6.814201 33.30929 
1 1 1  -38   22   18 f   96.702   11.445  4069.88  881.179  7000.79  3431.05  3862.91  911.762  100.233   34.651   93.721   12.277 6.512085 36.76103 
1 1 1  -38   22   19 o   37.389   16.234  140.900  915.361  347.921  2704.30  114.112  972.782   55.262   25.561   38.020   16.618 17.24245 30.48853 
1 1 1  -38   22   20 o   59.630   21.462  2039.10  1326.27 -1078.0179  3224.45  2673.85  1455.05   49.925   24.359   66.650   22.578 -16.72464 33.21324 
1 1 1  -38   22   21 o   24.126   12.090 -2266.3311  1014.15 -8331.0645  3809.36 -1803.6970  1052.12   38.522   19.712   26.321   13.047 12.20099 23.63861 
1 1 1  -38   24    1 o  283.029   18.288 33179.37  4180.33   0.0000   0.0000 33179.37  4180.33  ?   ?   283.029   18.288 0.000000 18.28818 
1 1 1  -38   24    2 f  395.204   23.104 65298.37  7381.59   0.0000   0.0000 65298.37  7381.59  ?   ?   395.204   23.104 0.000000 23.10392 
1 1 1  -38   24    3 o  524.015   28.794 116601.10 12204.28   0.0000   0.0000 116601.10 12204.28  ?   ?   524.015   28.794 0.000000 28.79377 
1 1 1  -38   24    4 o  333.356   16.479 45798.98  4460.33 47294.56  8341.82 45200.21  5278.23  331.085   31.406  329.521   19.819 1.564117 37.13669 
1 1 1  -38   24    5 o  186.292   13.518 14318.78  2030.86 16775.00  4087.74 13513.83  2340.09  197.718   26.100  180.330   16.153 17.38785 30.69447 
1 1 1  -38   24    6 o   61.126   16.405  1597.79  831.200  566.636  2000.04  1813.07  913.857   60.675   25.042   65.006   17.088 -4.331028 30.31697 
1 1 1  -38   24    7 o  119.461   29.989  6434.78  2904.58  6434.78  2904.58   0.0000   0.0000  119.461   29.989  ?   ?  0.000000 29.98944 
1 1 1  -38   24    8 o   83.676   16.453  3009.72  1078.03  483.620  2249.08  3763.20  1228.33   62.503   26.233   93.735   16.754 -31.23280 31.12679 
1 1 1  -38   24    9 o  207.004   15.514 17960.09  2588.66 16153.16  4376.97 18932.14  3210.31  188.816   29.516  210.973   18.942 -22.15720 35.07108 
1 1 1  -38   24   10 o  135.908   14.078  7773.89  1530.98  8586.98  2995.48  7486.40  1781.20  136.497   27.968  132.302   16.972 4.194977 32.71454 
1 1 1  -38   24   11 o  108.570   15.772  5064.12  1349.73  819.529  2725.08  6443.90  1553.70   67.943   28.715  122.620   15.985 -54.67609 32.86476 
1 1 1  -38   24   12 o  221.419   11.269 20422.18  2019.22 18212.44  4878.08 20879.10  2218.19  192.709   32.319  223.361   12.278 -30.65236 34.57304 
1 1 1  -38   24   13 o   81.130   9.0150  2751.15  583.822 -1663.8571  2583.60  2988.73  599.324   52.458   24.508   84.642   8.8514 -32.18355 26.05697 
1 1 1  -38   24   14 o  108.985   9.3364  4964.05  818.218  4592.33  2980.88  4994.34  850.900   93.409   32.297  109.197   9.6978 -15.78853 33.72167 
1 1 1  -38   24   15 o  131.435   9.6793  7250.52  1025.71 11097.32  3744.33  6938.43  1066.51  141.398   33.183  128.272   10.327 13.12614 34.75320 
1 1 1  -38   24   16 o   76.111   11.313  2508.43  677.888  6458.81  3489.75  2353.53  691.051  100.699   34.938   73.397   12.011 27.30189 36.94501 
1 1 1  -38   24   17 o   79.909   11.850  2805.07  745.540  2957.70  3788.36  2798.92  760.410   74.167   32.596   79.677   12.137 -5.509972 34.78234 
1 1 1  -38   24   18 f   25.685   12.709 -1937.6630  982.206 -1395.5470  3632.77 -1980.4189  1020.20   54.803   26.535   26.247   12.981 28.55680 29.53982 
1 1 1  -38   24   19 o   32.425   15.469 -938.4527  1133.69  1163.59  4129.75 -1109.7720  1178.98   58.955   28.484   32.263   15.494 26.69165 32.42484 
1 1 1  -38   24   20 o   37.099   17.302 -239.3100  1279.17  3755.51  4609.94 -572.5494  1331.45   58.488   28.662   35.859   17.009 22.62908 33.32881 
1 1 1  -38   26    1 o  153.952   16.952  9938.20  2083.92   0.0000   0.0000  9938.20  2083.92  ?   ?   153.952   16.952 0.000000 16.95166 
1 1 1  -38   26    2 o   93.977   17.314  3776.16  1272.51   0.0000   0.0000  3776.16  1272.51  ?   ?    93.977   17.314 0.000000 17.31428 
1 1 1  -38   26    3 o  139.360   16.197  8151.85  1798.64   0.0000   0.0000  8151.85  1798.64  ?   ?   139.360   16.197 0.000000 16.19744 
1 1 1  -38   26    4 o  106.157   15.820  4769.32  1321.97  1718.66  3250.75  5373.80  1447.03   80.556   32.412  112.680   16.288 -32.12428 36.27510 
1 1 1  -38   26    5 o  103.483   16.005  4549.53  1301.44  3638.65  3049.23  4752.42  1439.10   93.138   32.639  105.408   17.423 -12.26997 36.99822 
1 1 1  -38   26    6 o  114.741   27.833  5991.34  2566.56  6543.20  3176.69  4953.94  4355.47  118.467   32.187  106.518   38.810 11.94873 50.42076 
1 1 1  -38   26    7 o  181.469   15.068 13819.60  2200.18 16288.00  4437.18 13014.83  2533.58  188.820   29.941  174.814   18.112 14.00616 34.99259 
1 1 1  -38   26    8 o   77.267   17.400  2616.06  1065.41  2540.34  2574.13  2631.71  1170.35   80.094   29.725   77.199   18.837 2.894936 35.19158 
1 1 1  -38   26    9 o  175.883   15.658 13125.05  2212.74 14788.55  4384.54 12556.58  2563.08  175.939   31.865  170.388   18.841 5.551300 37.01872 
1 1 1  -38   26   10 o  246.707   18.204 26266.92  3620.93 23621.68  6236.70 27611.95  4447.22  215.577   36.960  249.470   22.186 -33.89290 43.10779 
1 1 1  -38   26   11 o   32.083   14.310 -250.1775  756.988 -2183.1941  2171.18   17.312  807.667   45.497   21.620   35.966   15.430 9.530399 26.56190 
1 1 1  -38   26   12 o  218.222   12.451 20090.68  2197.08 14200.27  5486.49 21215.69  2397.73  153.663   42.529  223.706   13.259 -70.04300 44.54807 
1 1 1  -38   26   13 o   62.449   9.7196  1659.07  476.819 -4164.7939  2958.62  1814.37  483.134   47.573   23.238   65.466   9.3550 -17.89330 25.05060 
1 1 1  -38   26   14 o  103.947   9.1918  4537.21  767.805 11759.11  3467.46  4164.85  787.351  149.450   29.621   99.295   9.8976 50.15530 31.23105 
1 1 1  -38   26   15 o  197.484   11.294 16652.02  1803.41 16505.90  5191.44 16672.07  1923.18  155.317   40.681  196.905   12.087 -41.58821 42.43876 
1 1 1  -38   26   16 o   87.360   10.932  3312.11  758.442 10802.59  3804.22  3002.06  773.980  126.312   35.576   82.647   11.875 43.66492 37.50560 
1 1 1  -38   26   17 o  120.226   20.811  7413.12  1957.98  6200.67  4626.92  7677.60  2161.01   81.260   35.856  119.559   23.097 -38.29959 42.65105 
1 1 1  -38   26   18 o   45.463   19.618  637.305  1320.15 -8210.5859  4622.35  1423.10  1377.52   45.618   23.195   53.029   21.183 -7.411247 31.41252 
1 1 1  -38   26   19 o   31.944   15.414 -1041.3280  1200.07 -8056.5420  5188.23 -644.7828  1233.52   44.746   22.905   34.363   16.320 10.38245 28.12423 
1 1 1  -38   28    1 o   59.457   19.101  1470.20  1045.92   0.0000   0.0000  1470.20  1045.92  ?   ?    59.457   19.101 0.000000 19.10070 
1 1 1  -38   28    2 o   52.732   19.194  992.875  1064.97   0.0000   0.0000  992.875  1064.97  ?   ?    52.732   19.194 0.000000 19.19445 
1 1 1  -38   28    3 o  112.576   19.078  5498.21  1681.64   0.0000   0.0000  5498.21  1681.64  ?   ?   112.576   19.078 0.000000 19.07849 
1 1 1  -38   28    4 o  154.723   39.292 12014.75  4945.53   0.0000   0.0000 12014.75  4945.53  ?   ?   154.723   39.292 0.000000 39.29234 
1 1 1  -38   28    5 o  295.819   17.700 37159.13  4231.93 45389.36  8475.47 34425.72  4884.39  309.446   34.309  281.771   21.511 27.67416 40.49537 
1 1 1  -38   28    6 o  349.282   19.639 52483.93  5547.09 57314.44 10566.04 50645.99  6517.50  338.577   39.156  338.623   23.857 -0.4565430E-01 45.85165 
1 1 1  -38   28    7 o  127.657   17.090  7031.21  1726.98  7947.48  4354.42  6860.18  1881.26  123.219   38.909  125.173   19.116 -1.954453 43.35123 
1 1 1  -38   28    8 o  166.649   16.208 11898.47  2165.45 16225.51  4805.26 10795.81  2425.72  180.620   34.013  156.896   19.459 23.72350 39.18592 
1 1 1  -38   28    9 o   84.891   18.829  3238.15  1263.88  3293.68  3299.20  3228.60  1368.27   86.414   33.292   84.253   20.251 2.161270 38.96784 
1 1 1  -38   28   10 o  206.895   18.029 18757.00  2998.41 18811.25  5796.93 18737.19  3503.47  183.144   40.094  203.710   21.506 -20.56558 45.49786 
1 1 1  -38   28   11 o  191.914   17.468 16218.52  2692.18 17112.85  5399.23 15922.59  3105.82  172.179   39.464  187.200   20.784 -15.02066 44.60257 
1 1 1  -38   28   12 o  117.363   18.568  6260.61  1710.58 -3081.3621  4398.32  7925.46  1856.75   62.153   29.868  132.929   17.638 -70.77670 34.68750 
1 1 1  -38   28   13 o   96.362   9.1546  3909.98  707.677  3012.85  3827.56  3941.74  720.092   79.377   33.809   96.707   9.2846 -17.33025 35.06105 
1 1 1  -38   28   14 o   59.089   10.562  1520.36  488.125  3112.70  3912.07  1495.18  491.970   77.128   33.525   58.519   10.750 18.60896 35.20671 
1 1 1  -38   28   15 o   60.813   21.418  1831.48  1314.07 -5352.4800  4170.88  2623.16  1384.58   51.204   25.480   71.016   21.865 -19.81183 33.57560 
1 1 1  -38   28   16 o   36.549   16.153   18.652  942.621 -6322.5430  4254.26  346.038  966.648   48.130   24.207   40.059   17.025 8.070763 29.59441 
1 1 1  -38   28   17 o   33.389   16.045 -1130.9960  1269.20  562.691  4584.48 -1271.5830  1320.83   57.654   28.320   33.485   16.161 24.16899 32.60687 
1 1 1  -38   28   18 o   66.962   24.582  3325.21  1752.06  1703.41  5580.04  3502.59  1845.38   54.849   27.604   67.665   25.157 -12.81650 37.34817 
1 1 1  -38   30    1 o  267.479   36.133 35009.07  7646.63   0.0000   0.0000 35009.07  7646.63  ?   ?   267.479   36.133 0.000000 36.13286 
1 1 1  -38   30    2 o   76.501   22.904  2621.36  1534.02   0.0000   0.0000  2621.36  1534.02  ?   ?    76.501   22.904 0.000000 22.90430 
1 1 1  -38   30    3 o  166.792   19.993 12154.12  2653.64   0.0000   0.0000 12154.12  2653.64  ?   ?   166.792   19.993 0.000000 19.99268 
1 1 1  -38   30    4 o   69.714   22.371  2133.00  1435.02   0.0000   0.0000  2133.00  1435.02  ?   ?    69.714   22.371 0.000000 22.37091 
1 1 1  -38   30    5 o  148.252   18.461  9584.95  2174.12 11046.74  5778.00  9343.85  2346.58  137.469   44.953  145.244   20.465 -7.775101 49.39169 
1 1 1  -38   30    6 o   96.647   20.244  4217.22  1537.78  5762.80  4680.10  4030.16  1628.19  105.201   39.863   93.773   21.798 11.42815 45.43327 
1 1 1  -38   30    7 o   29.056   13.966 -1326.3120  962.644  4068.21  3949.66 -1667.0031  992.576   92.704   36.227   27.987   13.625 64.71683 38.70406 
1 1 1  -38   30    8 o   89.790   21.187  3734.12  1519.71  6490.24  5074.33  3462.55  1592.82  106.181   41.181   85.863   22.555 20.31745 46.95346 
1 1 1  -38   30    9 o  250.800   21.174 28603.56  4271.69 25659.39  8068.63 29750.14  5035.23  191.263   51.016  250.554   25.087 -59.29140 56.85050 
1 1 1  -38   30   10 o  154.464   19.651 10876.03  2408.84  8851.05  5858.17 11288.09  2642.58  111.407   43.942  155.834   21.453 -44.42696 48.89899 
1 1 1  -38   30   11 o   67.493   21.438  2165.23  1320.42 -617.1821  4494.42  2428.07  1381.38   68.389   32.070   70.990   21.837 -2.600891 38.79819 
1 1 1  -38   30   12 o   60.763   21.496  1705.98  1325.02  5317.17  5135.54  1448.44  1371.46   88.692   38.482   57.884   21.655 30.80854 44.15611 
1 1 1  -38   30   13 o  119.561   9.9064  6094.87  953.047 10049.62  5782.67  5984.45  966.261  101.567   42.303  118.324   10.156 -16.75642 43.50545 
1 1 1  -38   30   14 o   38.653   17.407 -163.0532  1149.87 -2469.1670  4413.84   4.8523  1190.99   56.923   27.926   40.535   18.023 16.38831 33.23672 
1 1 1  -38   30   15 o   44.141   19.344  379.794  1325.91  3423.96  4934.69  142.919  1376.53   67.861   32.346   42.903   19.205 24.95807 37.61740 
1 1 1  -38   30   16 o   40.899   18.741  -5.2449  1406.44  1585.32  5647.81 -110.4012  1452.19   58.974   29.396   40.723   18.799 18.25122 34.89344 
1 1 1  -38   30   17 o   36.178   17.248 -593.2960  1404.99 -7202.8281  6035.04 -214.5423  1444.69   46.335   23.786   38.468   18.085 7.867458 29.88049 
1 1 1  -38   32    1 o   85.648   26.153  3461.62  1985.64   0.0000   0.0000  3461.62  1985.64  ?   ?    85.648   26.153 0.000000 26.15266 
1 1 1  -38   32    2 o  258.819   23.031 30281.61  4789.41   0.0000   0.0000 30281.61  4789.41  ?   ?   258.819   23.031 0.000000 23.03083 
1 1 1  -38   32    3 o  122.479   23.824  6977.99  2283.93   0.0000   0.0000  6977.99  2283.93  ?   ?   122.479   23.824 0.000000 23.82355 
1 1 1  -38   32    4 o   35.867   16.779 -1030.5341  1217.75   0.0000   0.0000 -1030.5341  1217.75  ?   ?    35.867   16.779 0.000000 16.77886 
1 1 1  -38   32    5 o   40.009   17.500 -91.4018  1080.54   0.0000   0.0000 -91.4018  1080.54  ?   ?    40.009   17.500 0.000000 17.50030 
1 1 1  -38   32    6 o   99.378   22.509  4660.15  1774.12  2111.71  6422.60  4870.67  1845.94   88.464   40.351  101.384   22.957 -12.92011 46.42496 
1 1 1  -38   32    7 o   93.232   23.520  4203.29  1780.37 -6408.7778  6109.50  5188.10  1861.15   66.419   32.639  104.451   22.601 -38.03226 39.70020 
1 1 1  -38   32    8 o   79.864   24.269  3144.06  1712.87  1944.35  6321.25  3239.13  1779.44   84.111   38.967   80.812   24.772 3.298645 46.17405 
1 1 1  -38   32    9 o  132.475   22.407  8446.05  2324.31 14401.51  7467.75  7807.23  2445.80  122.752   49.219  124.930   24.984 -2.178345 55.19726 
1 1 1  -38   32   10 o  105.295   22.395  5484.54  1855.78  3157.15  5878.76  5742.14  1955.78   81.522   37.701  107.141   23.157 -25.61858 44.24470 
1 1 1  -38   32   11 o  152.352   21.346 11396.29  2568.10 17129.01  7331.10 10594.42  2741.83  120.766   48.645  143.163   24.466 -22.39658 54.45137 
1 1 1  -38   32   12 o   91.763   25.329  4730.83  1949.08 13387.50  6640.67  3914.79  2038.88  102.646   44.146   81.640   26.703 21.00620 51.59430 
1 1 1  -38   32   13 o   77.557   25.666  3663.65  1881.47  2006.49  6761.29  3802.75  1958.84   67.779   33.502   78.380   26.198 -10.60043 42.52929 
1 1 1  -38   32   14 o  123.656   24.849  9124.11  2408.36 10977.92  7776.51  8927.44  2532.89   73.611   36.299  118.696   26.902 -45.08504 45.18150 
1 1 1  -38   32   15 o   74.627   25.692  4077.16  1885.38 -844.1721  7230.23  4436.21  1952.95   55.031   28.076   77.419   26.157 -22.38793 38.37279 
1 1 1  -38   34    1 o   64.408   25.351  1550.78  1946.02   0.0000   0.0000  1550.78  1946.02  ?   ?    64.408   25.351 0.000000 25.35089 
1 1 1  -38   34    2 o   73.686   26.470  2521.52  2016.43   0.0000   0.0000  2521.52  2016.43  ?   ?    73.686   26.470 0.000000 26.46957 
1 1 1  -38   34    3 o  155.466   24.764 11641.68  3021.17   0.0000   0.0000 11641.68  3021.17  ?   ?   155.466   24.764 0.000000 24.76403 
1 1 1  -38   34    4 o  458.413   21.441 96934.70  7980.75   0.0000   0.0000 96934.70  7980.75  ?   ?   458.413   21.441 0.000000 21.44119 
1 1 1  -38   34    5 o  101.595   26.169  5264.92  2171.98   0.0000   0.0000  5264.92  2171.98  ?   ?   101.595   26.169 0.000000 26.16945 
1 1 1  -38   34    6 o   68.907   25.821  2214.82  1951.58   0.0000   0.0000  2214.82  1951.58  ?   ?    68.907   25.821 0.000000 25.82127 
1 1 1  -38   34    7 o   38.706   18.038 -884.6639  1385.78 -7226.8389  6392.31 -571.9008  1419.54   63.002   31.383   41.082   18.826 21.91950 36.59653 
1 1 1  -38   34    8 o   59.344   22.900  1532.79  1562.95  686.602  7853.54  1567.69  1594.86   77.457   37.841   59.854   23.123 17.60281 44.34658 
1 1 1  -38   34    9 o   90.059   27.578  4684.44  2206.07  7293.19  8231.04  4482.54  2289.85   85.463   41.014   87.239   28.287 -1.776367 49.82292 
1 1 1  -38   34   10 o   80.060   25.981  3734.19  1931.42  9919.60  9424.27  3463.00  1973.31   83.033   40.749   76.831   26.291 6.201599 48.49475 
1 1 1  -38   34   11 o   92.088   26.452  5179.14  2082.37  8980.17  9266.96  4977.01  2137.02   75.987   37.840   89.067   27.117 -13.08006 46.55337 
1 1 1  -38   34   12 f   42.559   19.779 -277.3612  1648.09  4681.95  7143.77 -556.1528  1693.78   66.715   33.223   41.603   19.566 25.11240 38.55653 
1 1 1  -38   34   13 o   48.415   21.339  944.720  1634.05 11540.21  7722.52  448.097  1671.91   68.250   34.076   45.443   20.674 22.80707 39.85692 
1 1 1  -38   36    1 o   92.917   31.413  5049.90  2816.72   0.0000   0.0000  5049.90  2816.72  ?   ?    92.917   31.413 0.000000 31.41343 
1 1 1  -38   36    2 o   65.833   26.545  1864.22  2185.34   0.0000   0.0000  1864.22  2185.34  ?   ?    65.833   26.545 0.000000 26.54482 
1 1 1  -38   36    3 o   38.802   18.438 -1407.2510  1578.76   0.0000   0.0000 -1407.2510  1578.76  ?   ?    38.802   18.438 0.000000 18.43829 
1 1 1  -38   36    4 o   89.348   30.539  4776.00  2662.42   0.0000   0.0000  4776.00  2662.42  ?   ?    89.348   30.539 0.000000 30.53926 
1 1 1  -38   36    5 f   85.946   29.077  4370.55  2413.25   0.0000   0.0000  4370.55  2413.25  ?   ?    85.946   29.077 0.000000 29.07657 
1 1 1  -38   36    6 o   77.156   28.553  3534.82  2371.72   0.0000   0.0000  3534.82  2371.72  ?   ?    77.156   28.553 0.000000 28.55305 
1 1 1  -38   36    7 o   78.694   28.078  3816.34  2265.26 -4728.6982 11868.07  4139.42  2307.69   70.218   35.838   81.508   28.404 -11.28996 45.72876 
1 1 1  -38   36    8 o   55.673   23.743  1250.67  1892.05 -7487.9292  9647.93  1600.19  1929.52   63.171   32.247   58.435   24.396 4.736385 40.43542 
1 1 1  -38   36    9 o   53.224   22.647  1195.67  1714.24 -6567.1621 11104.88  1385.17  1735.04   62.395   32.044   54.793   23.022 7.601902 39.45641 
1 1 1  -38   36   10 o   73.719   27.922  4069.35  2295.69  5068.24 10884.60  4022.85  2348.52   64.449   33.005   72.876   28.086 -8.426994 43.33728 
1 1 1  -38   36   11 o   53.055   23.062  1561.95  1851.12 15559.23 13433.41  1291.01  1868.95   62.878   32.416   51.301   22.705 11.57746 39.57681 
1 1 1  -38   38    1 o   47.007   22.739 -1999.9800  2652.60   0.0000   0.0000 -1999.9800  2652.60  ?   ?    47.007   22.739 0.000000 22.73926 
1 1 1  -38   38    2 o   46.369   22.166 -1351.1870  2352.89   0.0000   0.0000 -1351.1870  2352.89  ?   ?    46.369   22.166 0.000000 22.16623 
1 1 1  -38   38    3 o   81.278   31.461  4832.39  2957.15   0.0000   0.0000  4832.39  2957.15  ?   ?    81.278   31.461 0.000000 31.46139 
1 1 1  -38   38    4 o  112.523   36.488 10487.61  3810.13   0.0000   0.0000 10487.61  3810.13  ?   ?   112.523   36.488 0.000000 36.48848 
1 1 1  -38   38    5 o   57.611   25.451  1453.51  2337.91   0.0000   0.0000  1453.51  2337.91  ?   ?    57.611   25.451 0.000000 25.45090 
1 1 1  -38   38    6 o   52.494   23.744  836.341  2166.95   0.0000   0.0000  836.341  2166.95  ?   ?    52.494   23.744 0.000000 23.74438 
1 1 1  -38   38    7 o   42.178   19.806 -399.5279  1724.53   0.0000   0.0000 -399.5279  1724.53  ?   ?    42.178   19.806 0.000000 19.80607 
1 1 1  -38   38    8 o   60.724   26.687  2788.39  2539.20  7077.15 16745.37  2687.45  2568.90   60.407   31.331   60.115   26.612 0.2918625 41.10746 
1 1 1  -37    1    1 o  412.414   21.141 69415.16  7055.65 68828.40  9981.20 70001.20  9975.18  409.540   30.229  413.076   29.944 -3.535767 42.54954 
1 1 1  -37    1    3 o  639.148   44.053 168648.80 22722.58 168648.80 22722.58   0.0000   0.0000  639.148   44.053  ?   ?  0.000000 44.05328 
1 1 1  -37    1    4 o  429.508   20.947 75116.02  7305.15 72284.71 10351.57 77924.99 10310.64  419.542   30.598  435.885   29.303 -16.34314 42.36624 
1 1 1  -37    1    5 o  321.588   16.200 42174.61  4216.58 40885.20  5992.31 43439.24  5934.42  315.827   23.536  325.715   22.578 -9.887268 32.61486 
1 1 1  -37    1    6 o  419.013   20.747 71547.84  7058.67 63653.30 10006.83 79365.96  9958.29  393.009   31.626  439.758   28.035 -46.74817 42.26326 
1 1 1  -37    1    7 o  681.405   47.474 194144.09 26102.28   0.0000   0.0000 194144.09 26102.28  ?   ?   681.405   47.474 0.000000 47.47406 
1 1 1  -37    1    8 o  552.180   21.778 124667.60  9764.09 129624.90 16960.65 122210.10 11941.39  557.951   37.658  545.685   26.951 12.26581 46.30854 
1 1 1  -37    1    9 o  768.870   26.161 243246.80 16332.07 238200.91 23097.69 248292.00 23096.39  755.471   37.654  771.748   36.858 -16.27661 52.69093 
1 1 1  -37    1   10 o  453.742   15.366 84062.78  5661.37 84939.05  8006.81 83186.71  8005.96  454.822   21.681  450.052   21.908 4.769501 30.82287 
1 1 1  -37    1   11 o  396.720   19.997 64757.16  6420.69 62917.27  9091.77 66587.73  9068.72  388.177   29.056  399.743   28.119 -11.56619 40.43466 
1 1 1  -37    1   12 o  447.606   15.261 81938.54  5546.41 80368.81  7843.45 83508.56  7844.18  441.598   21.875  450.269   21.455 -8.670746 30.64042 
1 1 1  -37    1   13 o  257.945   9.2635 27098.03  1940.16 26380.19  2737.71 27822.29  2749.94  253.732   13.335  260.972   12.977 -7.240189 18.60761 
1 1 1  -37    1   14 o  107.245   6.0965  4692.05  528.683  4764.30  741.076  4617.17  754.444  107.823   8.5345  106.098   8.8379 1.724876 12.28598 
1 1 1  -37    1   15 o   20.250   8.4699   27.101  233.204 -429.2166  313.346  593.671  349.154   16.952   8.0995   37.705   10.832 -20.75326 13.52517 
1 1 1  -37    1   16 o  295.925   10.943 35827.17  2629.48 37093.43  3712.20 34552.10  3725.11  299.639   15.309  288.955   15.939 10.68433 22.09996 
1 1 1  -37    1   17 o  238.120   9.5193 23202.90  1840.52 24582.82  2601.48 21820.01  2604.29  243.876   13.187  229.444   14.047 14.43185 19.26632 
1 1 1  -37    1   18 f  177.529   8.0261 12903.72  1156.94 13475.72  1645.61 12344.65  1626.89  180.344   11.295  172.456   11.687 7.888062 16.25315 
1 1 1  -37    1   19 o   27.428   9.5765  277.821  262.385  349.814  356.647  192.881  387.393   31.215   11.141   28.538   11.286 2.676830 15.85822 
1 1 1  -37    1   20 o   90.858   7.0141  3411.17  513.454  2908.97  722.794  3922.76  729.520   82.766   11.030   96.834   9.3967 -14.06770 14.48988 
1 1 1  -37    1   21 o   45.066   11.082  888.904  402.672  686.369  550.253  1122.42  590.841   40.947   13.884   50.253   13.974 -9.306084 19.69846 
1 1 1  -37    1   22 o   44.077   10.940  858.013  389.690  913.343  532.581  794.255  571.707   45.301   13.480   42.945   14.145 2.355385 19.53959 
1 1 1  -37    1   23 o   96.417   7.9886  3926.49  619.770  3986.00  858.853  3861.82  895.256   95.352   11.314   93.361   12.094 1.990479 16.56098 
1 1 1  -37    1   24 f  141.538   9.0170  8642.77  1030.88  8217.40  1359.26  9218.71  1581.64  134.313   12.611  140.519   14.051 -6.206070 18.88029 
1 1 1  -37    1   25 o   49.094   11.300  1141.76  441.117  662.598  601.007  1701.33  649.477   38.173   14.324   58.244   13.922 -20.07064 19.97554 
1 1 1  -37    1   26 o   23.767   11.021 -212.6654  507.323   0.0000   0.0000 -212.6654  507.323  ?   ?    23.767   11.021 0.000000 11.02069 
1 1 1  -37    3    1 o  1151.32   55.807 548285.50 52170.27 518616.31 73790.17 577938.31 73769.64  1104.80   82.861  1169.40   78.142 -64.59741 113.8952 
1 1 1  -37    3    2 o  872.197   60.397 317235.50 42509.53 317235.50 42509.53   0.0000   0.0000  872.197   60.397  ?   ?  0.000000 60.39688 
1 1 1  -37    3    4 o  1034.42   72.533 452266.41 60536.46 452266.41 60536.46   0.0000   0.0000  1034.42   72.533  ?   ?  0.000000 72.53306 
1 1 1  -37    3    5 o  419.111   20.946 71557.20  7127.95 64575.47 10138.38 78381.58 10023.49  396.015   31.798  437.112   28.395 -41.09753 42.63093 
1 1 1  -37    3    6 o  350.854   17.957 50256.05  5098.58 44500.00  7269.99 55827.41  7152.40  328.798   27.483  369.071   23.998 -40.27255 36.48581 
1 1 1  -37    3    7 o  286.872   11.831 33467.07  2755.84 35037.16  4852.00 32719.34  3348.36  292.313   20.574  283.149   14.614 9.164490 25.23569 
1 1 1  -37    3    8 o  283.219   14.417 32757.00  3304.35   0.0000   0.0000 32757.00  3304.35  ?   ?   283.219   14.417 0.000000 14.41659 
1 1 1  -37    3    9 o  174.713   8.2967 12410.12  1176.97 10018.85  2101.99 13502.26  1420.55  155.735   16.894  181.939   9.6504 -26.20351 19.45583 
1 1 1  -37    3   10 o  284.416   11.675 32951.41  2696.19 40036.98  4735.82 29553.44  3279.58  312.129   18.774  268.632   15.097 43.49667 24.09070 
1 1 1  -37    3   11 o  219.019   8.3453 19512.69  1484.10 19370.31  2091.97 19656.95  2105.77  217.681   11.881  219.292   11.871 -1.610962 16.79462 
1 1 1  -37    3   12 o  714.142   24.342 211000.59 14114.90 218470.20 19954.89 203521.20 19968.08  720.197   34.124  693.230   35.595 26.96631 49.30966 
1 1 1  -37    3   13 o  488.283   16.674 97807.79  6610.75 96408.35  9338.15 99213.75  9359.92  482.171   23.852  489.260   23.561 -7.089417 33.52658 
1 1 1  -37    3   14 o   97.126   5.9904  3850.45  470.112  3786.69  652.526  3919.27  677.876   96.057   8.4523   97.714   8.6327 -1.657082 12.08161 
1 1 1  -37    3   15 o  211.872   8.4778 18294.28  1458.47 17388.50  2048.80 19224.84  2076.65  205.766   12.319  216.482   11.859 -10.71677 17.10001 
1 1 1  -37    3   16 o   33.695   9.8272  472.356  285.451  638.486  353.930  163.192  482.824   38.937   10.811   30.749   12.449 8.188137 16.48827 
1 1 1  -37    3   17 f  366.733   13.761 55541.99  4097.76 56067.50  5782.04 55011.70  5808.27  364.841   19.590  361.184   19.882 3.656219 27.91143 
1 1 1  -37    3   18 o  292.809   10.725 35352.79  2549.85 32314.30  3571.41 38512.00  3641.67  276.960   15.949  303.518   14.777 -26.55795 21.74188 
1 1 1  -37    3   19 o   89.784   7.3119  3327.29  528.417  3608.77  704.449  2965.14  799.046   93.035   9.4568   83.499   12.141 9.536095 15.38972 
1 1 1  -37    3   20 f   54.442   8.2677  1249.97  353.984  1325.93  439.527  1109.75  597.172   55.646   10.100   50.290   14.071 5.355904 17.32062 
1 1 1  -37    3   21 o   79.022   8.1251  2614.09  513.909  2910.78  664.014  2170.94  811.536   82.787   10.087   69.582   14.818 13.20444 17.92519 
1 1 1  -37    3   22 o   26.963   10.660  187.539  345.569   58.279  421.002  454.481  605.007   26.686   11.283   37.053   14.262 -10.36653 18.18534 
1 1 1  -37    3   23 o  143.988   8.1693  8747.50  951.163  8192.40  1299.48  9388.11  1395.99  136.544   11.838  146.199   11.862 -9.654617 16.75854 
1 1 1  -37    3   24 o   41.437   12.801  796.620  474.142  295.315  572.192  1895.12  847.015   32.922   13.468   61.139   16.624 -28.21609 21.39536 
1 1 1  -37    3   25 o   61.772   10.141  1746.71  491.010  1691.14  616.215  1843.35  812.633   58.482   13.280   58.271   16.453 0.2112274 21.14403 
1 1 1  -37    3   26 o   32.339   13.946  334.686  666.253   0.0000   0.0000  334.686  666.253  ?   ?    32.339   13.946 0.000000 13.94588 
1 1 1  -37    5    1 o  270.039   21.648 29882.92  4706.66   0.0000   0.0000 29882.92  4706.66  ?   ?   270.039   21.648 0.000000 21.64784 
1 1 1  -37    5    3 o  405.832   28.720 67579.13  9402.75 67579.13  9402.75   0.0000   0.0000  405.832   28.720  ?   ?  0.000000 28.72001 
1 1 1  -37    5    4 o  179.053   9.4931 13061.34  1375.22 17751.04  2011.38  8944.50  1884.53  208.649   11.922  147.425   16.000 61.22440 19.95331 
1 1 1  -37    5    5 o  201.464   10.845 16542.61  1767.45 18470.99  2551.27 14763.02  2450.86  212.578   14.875  189.806   16.053 22.77222 21.88511 
1 1 1  -37    5    6 o  450.403   18.214 82651.63  6661.19 74777.03 11615.79 86510.13  8131.01  425.254   33.923  460.449   21.748 -35.19495 40.29558 
1 1 1  -37    5    7 o  1161.47   47.715 564911.38 44998.67 454284.91 78010.77 620074.19 55086.91  990.818   98.262  1209.84   56.076 -219.0267 113.1375 
1 1 1  -37    5    8 o  673.128   33.040 187521.50 18058.10   0.0000   0.0000 187521.50 18058.10  ?   ?   673.128   33.040 0.000000 33.03969 
1 1 1  -37    5    9 o  321.713   13.395 42186.43  3499.00 39585.06  6121.40 43448.84  4264.31  309.252   24.581  326.203   16.100 -16.95151 29.38411 
1 1 1  -37    5   10 o  267.501   11.486 29148.64  2494.87 26844.60  4377.77 30256.88  3036.16  254.800   21.357  271.993   13.793 -17.19221 25.42362 
1 1 1  -37    5   11 o  710.620   28.348 209782.20 16356.92 208562.91 28382.37 210388.59 20014.97  689.743   51.041  707.554   34.838 -17.81128 61.79705 
1 1 1  -37    5   12 o  568.963   22.709 133684.91 10491.13 136517.00 18228.95 132282.30 12828.68  563.779   40.082  563.477   28.039 0.3012085 48.91624 
1 1 1  -37    5   13 f  532.798   21.423 117312.50  9267.69 117604.40 16117.12 117168.30 11327.79  522.335   38.268  530.101   26.318 -7.766357 46.44403 
1 1 1  -37    5   14 o  274.043   10.592 30647.04  2356.79 33339.49  3321.59 27917.24  3344.54  284.850   14.408  260.245   15.904 24.60501 21.45996 
1 1 1  -37    5   15 o  307.249   10.879 38575.92  2714.01 38158.15  3821.37 39001.13  3855.25  304.181   15.524  307.542   15.488 -3.361420 21.92885 
1 1 1  -37    5   16 o   86.823   6.5476  3086.85  458.193  2843.99  589.029  3458.97  729.126   83.004   8.8774   91.456   9.9807 -8.451202 13.35749 
1 1 1  -37    5   17 o  300.063   11.041 36989.39  2690.01 38124.64  3788.39 35834.92  3820.32  302.555   15.473  292.990   16.121 9.565216 22.34459 
1 1 1  -37    5   18 o   25.275   9.3787  203.536  256.226  179.081  291.977  285.453  534.390   25.672   9.9003   33.810   13.292 -8.137793 16.57381 
1 1 1  -37    5   19 o   87.916   7.2707  3191.97  514.356  3052.88  673.605  3386.49  796.583   85.347   9.9045   89.576   11.197 -4.229095 14.94881 
1 1 1  -37    5   20 o  113.968   7.2335  5365.07  665.909  5166.95  896.094  5609.41  995.151  110.955   10.056  115.383   10.746 -4.427406 14.71687 
1 1 1  -37    5   21 o  260.598   10.866 28648.54  2299.28 30054.26  3249.50 27239.05  3253.85  261.706   15.359  248.020   16.247 13.68639 22.35803 
1 1 1  -37    5   22 o  157.662   8.4647 10427.99  1079.66 10783.33  1487.32 10032.17  1569.74  158.078   11.670  151.476   12.885 6.601868 17.38452 
1 1 1  -37    5   23 o   60.921   9.5817  1616.58  458.319  1413.46  543.089  2119.19  854.307   55.731   12.328   66.454   16.020 -10.72352 20.21456 
1 1 1  -37    5   24 o   29.951   10.900  350.754  343.373  609.768  391.235 -517.8293  716.444   36.740   11.669   27.226   12.779 9.514885 17.30520 
1 1 1  -37    5   25 o   63.232   9.9559  1828.63  494.256  1568.11  592.730  2423.18  895.437   56.106   13.227   66.725   16.596 -10.61922 21.22236 
1 1 1  -37    7    1 o  727.894   51.254 220246.80 30099.10   0.0000   0.0000 220246.80 30099.10  ?   ?   727.894   51.254 0.000000 51.25407 
1 1 1  -37    7    2 f  563.985   40.334 131358.59 18348.63   0.0000   0.0000 131358.59 18348.63  ?   ?   563.985   40.334 0.000000 40.33418 
1 1 1  -37    7    4 o  266.878   19.578 29170.02  4212.86   0.0000   0.0000 29170.02  4212.86  ?   ?   266.878   19.578 0.000000 19.57792 
1 1 1  -37    7    5 o  429.887   30.274 76124.88 10499.71   0.0000   0.0000 76124.88 10499.71  ?   ?   429.887   30.274 0.000000 30.27383 
1 1 1  -37    7    6 o  606.863   42.566 153779.50 20841.95   0.0000   0.0000 153779.50 20841.95  ?   ?   606.863   42.566 0.000000 42.56638 
1 1 1  -37    7    7 o  572.641   23.632 134353.91 10988.08 114192.60 19097.82 144330.70 13434.48  519.681   45.725  592.452   27.927 -72.77130 53.57895 
1 1 1  -37    7    8 o  415.055   20.747 70555.29  6992.00   0.0000   0.0000 70555.29  6992.00  ?   ?   415.055   20.747 0.000000 20.74710 
1 1 1  -37    7    9 o  383.671   15.701 60114.88  4891.27 62594.25  8546.49 58907.22  5964.70  388.309   27.280  378.717   19.463 9.591217 33.51082 
1 1 1  -37    7   10 o  209.589   9.7234 17879.10  1654.72 14088.89  2962.45 19597.89  1994.94  184.230   20.132  219.053   11.254 -34.82248 23.06378 
1 1 1  -37    7   11 o   68.577   6.8472  1930.96  376.166  4185.31  807.588  1306.33  425.097  100.891   9.9895   55.842   9.7290 45.04858 13.94431 
1 1 1  -37    7   12 o  591.880   23.651 145025.30 11366.45 150558.41 19752.09 142285.80 13898.25  590.168   41.483  582.484   29.482 7.683655 50.89207 
1 1 1  -37    7   13 o  127.412   7.6793  6630.57  790.748  5327.98  1480.56  7150.42  935.322  112.741   16.677  132.216   8.7621 -19.47503 18.83852 
1 1 1  -37    7   14 o  222.488   10.237 20199.06  1849.31 19267.52  3296.25 20626.96  2234.03  215.156   19.066  224.247   12.317 -9.091232 22.69794 
1 1 1  -37    7   15 f  112.083   8.1298  5146.54  734.843  5516.87  1409.96  5008.44  861.031  114.768   15.529  110.347   9.7088 4.420959 18.31424 
1 1 1  -37    7   16 o  259.111   9.9895 27463.23  2101.68 27491.13  2956.37 27434.74  2988.34  257.894   14.173  257.572   14.346 0.3216248 20.16581 
1 1 1  -37    7   17 f  107.990   6.7056  4775.80  585.067  5366.93  764.034  3937.73  909.724  114.254   8.2922   97.072   11.783 17.18172 14.40871 
1 1 1  -37    7   18 o   92.521   6.7462  3518.57  503.308  3438.48  654.645  3634.34  787.087   91.026   8.9741   93.223   10.586 -2.196770 13.87797 
1 1 1  -37    7   19 o  118.027   7.3150  5740.88  697.575  5496.99  940.364  6039.32  1040.22  114.678   10.206  120.046   10.787 -5.367775 14.84968 
1 1 1  -37    7   20 o  124.036   7.3228  6358.46  734.235  6738.14  1002.30  5918.76  1078.62  126.826   9.8094  118.185   11.381 8.640648 15.02482 
1 1 1  -37    7   21 o  132.706   8.0238  7334.83  860.526  8048.44  1154.18  6441.65  1291.26  137.885   10.385  121.692   13.284 16.19385 16.86168 
1 1 1  -37    7   22 o   51.207   9.8524  1144.09  394.778  1187.02  447.126  992.253  840.821   51.812   10.970   48.014   17.109 3.797836 20.32377 
1 1 1  -37    7   23 o  116.221   8.1053  5723.31  760.091  6045.32  996.931  5276.25  1174.67  117.803   10.534  107.490   13.776 10.31328 17.34161 
1 1 1  -37    7   24 o  109.285   9.1596  5212.78  805.284  5451.61  1000.05  4772.29  1358.12  109.750   11.388   95.594   18.161 14.15552 21.43636 
1 1 1  -37    7   25 o   91.542   9.1498  3761.83  670.984  4044.78  810.422  3145.13  1196.45   93.130   10.925   71.118   19.924 22.01225 22.72220 
1 1 1  -37    9    1 o  423.713   31.207 73943.17 10660.92   0.0000   0.0000 73943.17 10660.92  ?   ?   423.713   31.207 0.000000 31.20698 
1 1 1  -37    9    2 o  861.549   42.588 306677.00 29792.07 327375.59 42023.21 285762.09 42242.34  881.342   59.064  820.610   63.901 60.73187 87.01724 
1 1 1  -37    9    3 o  472.427   33.605 92136.20 12806.68 92136.20 12806.68   0.0000   0.0000  472.427   33.605  ?   ?  0.000000 33.60503 
1 1 1  -37    9    4 o  717.979   50.609 216608.20 29315.19 216608.20 29315.19   0.0000   0.0000  717.979   50.609  ?   ?  0.000000 50.60941 
1 1 1  -37    9    5 o  291.987   21.824 35032.84  5136.60 35032.84  5136.60   0.0000   0.0000  291.987   21.824  ?   ?  0.000000 21.82351 
1 1 1  -37    9    8 o  515.427   36.389 111642.60 15131.18   0.0000   0.0000 111642.60 15131.18  ?   ?   515.427   36.389 0.000000 36.38867 
1 1 1  -37    9    9 o  422.824   20.906 73392.61  7177.45   0.0000   0.0000 73392.61  7177.45  ?   ?   422.824   20.906 0.000000 20.90606 
1 1 1  -37    9   10 o  107.042   8.0308  4686.45  692.903   0.0000   0.0000  4686.45  692.903  ?   ?   107.042   8.0308 0.000000 8.030797 
1 1 1  -37    9   11 o  503.286   24.956 104929.60 10198.45   0.0000   0.0000 104929.60 10198.45  ?   ?   503.286   24.956 0.000000 24.95632 
1 1 1  -37    9   12 o  251.040   13.501 25834.71  2741.79   0.0000   0.0000 25834.71  2741.79  ?   ?   251.040   13.501 0.000000 13.50056 
1 1 1  -37    9   13 o  244.522   13.303 24534.89  2631.25   0.0000   0.0000 24534.89  2631.25  ?   ?   244.522   13.303 0.000000 13.30275 
1 1 1  -37    9   14 o  305.216   15.940 38421.84  3936.54   0.0000   0.0000 38421.84  3936.54  ?   ?   305.216   15.940 0.000000 15.93967 
1 1 1  -37    9   15 o  169.606   8.9201 11770.05  1224.11 12418.38  2290.01 11510.69  1448.41  172.641   16.539  167.434   10.710 5.206741 19.70371 
1 1 1  -37    9   16 o  139.467   16.083  8171.39  1787.86   0.0000   0.0000  8171.39  1787.86  ?   ?   139.467   16.083 0.000000 16.08256 
1 1 1  -37    9   17 o  206.522   10.214 17543.69  1712.72 19691.56  3179.47 16665.62  2032.89  215.009   18.389  200.251   12.566 14.75764 22.27254 
1 1 1  -37    9   18 o  129.810   8.9749  6969.91  940.157  8218.95  1845.68  6532.26  1092.52  138.016   16.817  125.107   10.863 12.90908 20.02064 
1 1 1  -37    9   19 o   83.031   10.353  2908.34  682.839  2727.59  1426.71  2962.05  777.698   76.630   21.858   83.346   11.823 -6.715775 24.85098 
1 1 1  -37    9   20 o   25.042   11.074 -115.8876  443.740 -1022.1730  1211.64   24.497  476.871   35.424   16.624   27.941   11.918 7.482916 20.45478 
1 1 1  -37    9   21 o  111.073   7.6660  5141.15  687.143  5479.74  873.733  4592.23  1112.49  113.903   9.5350  102.082   13.773 11.82045 16.75171 
1 1 1  -37    9   22 f   56.372   9.1814  1372.76  405.785  1398.87  460.241  1281.60  859.992   56.462   10.423   52.491   17.351 3.971283 20.24110 
1 1 1  -37    9   23 o   31.880   10.910  422.079  339.819  331.870  370.065  907.247  858.218   30.194   11.258   45.555   17.113 -15.36131 20.48384 
1 1 1  -37    9   24 o   26.897   10.669  218.443  347.197   76.803  367.813  1376.72  1051.82   24.778   10.515   50.577   18.956 -25.79934 21.67668 
1 1 1  -37    9   25 o   47.966   10.741  1102.34  407.908  1121.04  450.897  1018.07  957.216   47.706   11.724   43.195   17.515 4.510502 21.07661 
1 1 1  -37   11    1 o  200.080   18.700 16467.18  3002.68   0.0000   0.0000 16467.18  3002.68  ?   ?   200.080   18.700 0.000000 18.69962 
1 1 1  -37   11    2 o  558.844   25.416 127897.90 11532.65 113641.30 20098.03 134896.70 14081.70  518.947   48.250  572.083   30.424 -53.13556 57.04097 
1 1 1  -37   11    3 o  444.330   23.865 81041.64  8578.42 64176.26 12282.18 97105.18 11986.65  391.436   39.169  484.859   30.604 -93.42252 49.70745 
1 1 1  -37   11    4 o  259.262   15.058 27479.55  3156.32 18177.95  4562.12 36019.73  4371.41  208.582   27.616  296.521   18.245 -87.93864 33.09879 
1 1 1  -37   11    5 o   74.644   8.6778  2295.66  516.136  742.214  789.270  3456.32  682.228   46.331   16.569   91.729   9.2878 -45.39820 18.99463 
1 1 1  -37   11    6 o  213.391   12.377 18606.89  2135.25 15198.85  3075.19 21779.56  2967.10  191.675   20.056  230.471   15.954 -38.79604 25.62747 
1 1 1  -37   11    7 f  322.649   16.693 42644.64  4358.14 43538.11  6223.03 41784.64  6105.33  324.548   23.780  317.899   23.826 6.648743 33.66287 
1 1 1  -37   11    9 o  260.021   12.708 27572.21  2683.00 33813.54  3961.96 22285.65  3646.34  286.937   17.083  232.271   19.515 54.66589 25.93547 
1 1 1  -37   11   10 o  196.700   10.769 15811.57  1713.49 19302.53  2608.77 13162.85  2272.39  216.792   14.911  178.677   15.827 38.11467 21.74446 
1 1 1  -37   11   11 o  240.799   13.207 23757.55  2572.48 23719.08  3809.05 23789.81  3488.17  239.256   19.785  240.024   18.030 -0.7680206 26.76769 
1 1 1  -37   11   12 o   77.614   10.005  2495.96  615.834  4231.62  1204.81  1882.10  716.508  100.510   15.241   66.629   13.702 33.88058 20.49436 
1 1 1  -37   11   13 o  266.965   13.582 29265.85  2934.45 37424.44  4328.21 22325.51  3992.01  300.819   17.799  230.996   21.532 69.82309 27.93633 
1 1 1  -37   11   14 o  131.469   13.194  7156.00  1389.42   0.0000   0.0000  7156.00  1389.42  ?   ?   131.469   13.194 0.000000 13.19377 
1 1 1  -37   11   15 o  102.019   13.074  4345.42  1058.10   0.0000   0.0000  4345.42  1058.10  ?   ?   102.019   13.074 0.000000 13.07437 
1 1 1  -37   11   16 o  168.001   15.866 11852.00  2138.73   0.0000   0.0000 11852.00  2138.73  ?   ?   168.001   15.866 0.000000 15.86641 
1 1 1  -37   11   17 o  234.096   19.804 23675.12  3728.92   0.0000   0.0000 23675.12  3728.92  ?   ?   234.096   19.804 0.000000 19.80352 
1 1 1  -37   11   18 o  144.169   16.564  8990.62  1903.81   0.0000   0.0000  8990.62  1903.81  ?   ?   144.169   16.564 0.000000 16.56429 
1 1 1  -37   11   19 o  144.597   17.173  9214.80  1976.81   0.0000   0.0000  9214.80  1976.81  ?   ?   144.597   17.173 0.000000 17.17285 
1 1 1  -37   11   20 o   62.288   20.659  1780.92  1218.73   0.0000   0.0000  1780.92  1218.73  ?   ?    62.288   20.659 0.000000 20.65864 
1 1 1  -37   11   21 o   98.774   20.860  4770.96  1620.55   0.0000   0.0000  4770.96  1620.55  ?   ?    98.774   20.860 0.000000 20.86022 
1 1 1  -37   11   22 o   46.644   20.817  150.737  1604.46   0.0000   0.0000  150.737  1604.46  ?   ?    46.644   20.817 0.000000 20.81699 
1 1 1  -37   13    1 o  1016.07   48.323 436382.81 39867.43   0.0000   0.0000 436382.81 39867.43  ?   ?   1016.07   48.323 0.000000 48.32308 
1 1 1  -37   13    2 f  364.869   22.132 54722.77  6525.87 34724.06  9518.19 72462.88  8964.61  285.052   42.416  419.018   26.485 -133.9658 50.00591 
1 1 1  -37   13    3 o  199.749   10.992 16284.77  1775.99 22756.26  2722.68 11491.94  2343.10  235.868   14.284  166.850   17.559 69.01758 22.63478 
1 1 1  -37   13    4 o  157.188   11.198 10107.17  1419.92  6725.74  2159.62 12681.96  1884.51  126.346   21.841  175.930   13.290 -49.58398 25.56712 
1 1 1  -37   13    5 o  424.165   22.570 74053.46  7745.41 62553.14 11103.15 84954.62 10810.05  385.648   35.869  452.245   29.602 -66.59653 46.50681 
1 1 1  -37   13    6 o  455.298   23.398 85447.30  8620.88 78675.30 12309.04 91967.21 12077.77  432.650   35.348  469.422   31.876 -36.77252 47.59771 
1 1 1  -37   13    7 o  511.873   25.431 108111.60 10569.92 108223.70 15054.08 108002.50 14844.38  506.484   36.859  506.220   36.357 0.2636108 51.77241 
1 1 1  -37   13    8 o  420.448   21.590 72879.91  7345.63 68959.15 10489.97 76652.24 10289.51  405.204   32.147  428.324   29.771 -23.12009 43.81489 
1 1 1  -37   13    9 o  288.916   12.507 34052.35  2934.07 32810.69  5285.11 34605.51  3527.61  281.000   23.376  290.568   15.003 -9.567810 27.77636 
1 1 1  -37   13   10 o  357.946   14.651 52406.58  4258.03 56458.14  7578.71 50537.70  5147.23  367.929   25.526  350.356   18.156 17.57300 31.32460 
1 1 1  -37   13   11 o  272.061   13.544 30269.51  2992.03 36084.37  4462.07 25518.91  4033.12  295.512   18.692  247.919   20.211 47.59291 27.52990 
1 1 1  -37   13   12 o  116.588   8.1925  5562.51  770.621  4923.92  1682.66  5732.00  866.876  107.498   20.014  118.252   9.0983 -10.75305 21.98510 
1 1 1  -37   13   13 o  316.348   13.363 41019.55  3432.50 42430.19  6183.80 40391.37  4126.61  317.500   24.168  312.784   16.305 4.715546 29.15403 
1 1 1  -37   13   14 o  487.914   19.433 99075.66  7698.88 110050.00 13567.81 93864.02  9349.93  501.373   33.521  470.935   24.537 30.43784 41.54181 
1 1 1  -37   13   15 o  476.205   19.681 95258.66  7609.89 99954.11 13427.14 93036.73  9236.56  469.527   35.482  465.804   24.507 3.722412 43.12260 
1 1 1  -37   13   16 o  239.595   11.280 23685.07  2194.45 26418.29  4125.71 22606.73  2591.43  247.671   20.706  232.790   13.771 14.88095 24.86702 
1 1 1  -37   13   17 o   49.041   13.257  1040.07  540.474  1690.84  1298.81  903.780  594.382   63.283   21.332   46.318   14.337 16.96439 25.70156 
1 1 1  -37   13   18 f  124.507   9.6212  6458.72  965.112  5667.63  2026.81  6690.69  1097.53  110.048   23.403  126.321   10.804 -16.27241 25.77634 
1 1 1  -37   13   19 o   44.382   14.971  812.849  639.736  2741.29  1747.97  514.588  687.430   75.493   24.727   39.845   15.235 35.64790 29.04303 
1 1 1  -37   13   20 o  132.047   10.814  7414.11  1149.29  6614.90  2611.36  7606.11  1279.91  110.389   28.823  133.088   11.972 -22.69871 31.21049 
1 1 1  -37   13   21 o  159.735   11.245 10996.60  1449.21  9190.50  2996.41 11548.07  1655.74  125.786   29.796  162.478   12.650 -36.69211 32.37045 
1 1 1  -37   13   22 o   70.769   15.231  2376.49  849.292  3387.38  2499.69  2244.57  903.010   72.207   28.633   67.875   16.537 4.331680 33.06507 
1 1 1  -37   13   23 o   58.494   17.172  1788.95  869.047 -382.4837  2268.77  2162.35  940.804   46.255   22.016   64.082   17.560 -17.82638 28.16119 
1 1 1  -37   15    1 o  456.586   22.789 85542.81  8448.69   0.0000   0.0000 85542.81  8448.69  ?   ?   456.586   22.789 0.000000 22.78915 
1 1 1  -37   15    2 o  280.110   13.402 31975.24  3048.20 29336.11  5500.68 33144.82  3661.86  265.744   25.819  284.529   15.914 -18.78485 30.32908 
1 1 1  -37   15    3 o  556.377   23.818 127239.50 10760.14 112489.20 18780.00 134448.20 13128.76  513.085   45.552  570.463   28.344 -57.37823 53.65038 
1 1 1  -37   15    4 o  671.361   34.821 188552.59 18916.37 173155.91 27003.94 203387.30 26506.58  631.038   53.199  688.597   47.702 -57.55872 71.45329 
1 1 1  -37   15    5 o  511.260   26.815 108262.70 11092.66 97259.06 15903.57 118687.80 15479.80  477.987   41.385  531.184   36.105 -53.19681 54.92108 
1 1 1  -37   15    6 o  340.673   18.003 47647.23  4962.29 47268.98  7208.45 47987.95  6841.41  337.130   26.548  340.172   24.943 -3.041351 36.42737 
1 1 1  -37   15    7 o   86.417   13.025  3113.73  885.545   0.0000   0.0000  3113.73  885.545  ?   ?    86.417   13.025 0.000000 13.02480 
1 1 1  -37   15    8 o  165.238   11.391 11182.31  1518.96 10171.73  2332.34 11926.63  2001.64  156.344   18.746  170.211   14.625 -13.86678 23.77652 
1 1 1  -37   15    9 o  188.408   12.221 14546.78  1859.49 12502.44  2782.17 16197.29  2499.86  173.137   20.168  198.289   15.654 -25.15236 25.53069 
1 1 1  -37   15   10 o  112.189   7.7479  5146.24  701.461  2521.56  1541.79  5831.34  787.707   77.398   22.914  119.412   8.1733 -42.01422 24.32850 
1 1 1  -37   15   11 o  154.134   7.9157  9697.60  987.319 12343.95  2085.65  8933.28  1120.86  172.863   15.008  147.749   9.3919 25.11391 17.70477 
1 1 1  -37   15   12 o   50.420   10.270  1075.20  406.168  3228.89  1261.60  826.160  429.009   86.824   18.464   44.181   11.754 42.64316 21.88726 
1 1 1  -37   15   13 o   77.282   8.8004  2467.70  542.382  2671.48  1467.84  2435.48  583.692   78.765   22.069   76.643   9.5892 2.121590 24.06185 
1 1 1  -37   15   14 o  174.569   9.5054 12500.54  1342.26 12601.44  2733.21 12468.48  1540.86  172.357   19.896  174.052   10.959 -1.695267 22.71425 
1 1 1  -37   15   15 o   17.893   8.7254 -751.9927  411.991  152.269  1012.79 -931.2975  450.991   41.878   17.592   18.006   8.8522 23.87232 19.69351 
1 1 1  -37   15   16 o  169.458   9.9154 11877.26  1358.36 11406.68  2698.57 12036.96  1572.04  160.959   21.161  170.079   11.450 -9.120605 24.06021 
1 1 1  -37   15   17 f  129.539   9.7144  6978.96  1014.33  7510.34  2321.20  6853.54  1127.70  127.819   23.221  127.950   10.960 -0.1310425 25.67760 
1 1 1  -37   15   18 o  163.992   9.9614 11230.42  1320.14 10971.82  2778.68 11305.81  1500.27  153.406   23.018  163.873   11.345 -10.46733 25.66219 
1 1 1  -37   15   19 o   40.903   14.877  629.724  639.607  1885.53  1989.82  485.018  675.453   66.532   25.792   39.038   15.057 27.49371 29.86587 
1 1 1  -37   15   20 o  134.014   10.766  7670.79  1161.63  8396.25  2906.95  7532.93  1267.21  122.286   29.596  132.052   11.948 -9.766464 31.91638 
1 1 1  -37   15   21 o   25.577   11.851 -402.3393  585.031 -2056.8210  2310.73 -289.0225  604.734   44.074   21.297   27.152   12.384 16.92179 24.63544 
1 1 1  -37   15   22 o   40.033   16.103  557.581  802.146 -548.3563  2206.59  725.984  861.055   46.716   22.080   42.842   16.863 3.873249 27.78310 
1 1 1  -37   15   23 o   29.517   13.569 -248.7817  745.414 -1647.4871  2853.12 -146.3145  772.236   44.319   21.879   30.888   14.051 13.43110 26.00292 
1 1 1  -37   15   24 o   25.434   12.254 -708.9766  751.501   0.0000   0.0000 -708.9766  751.501  ?   ?    25.434   12.254 0.000000 12.25362 
1 1 1  -37   17    1 o  498.399   25.149 102603.10 10144.61   0.0000   0.0000 102603.10 10144.61  ?   ?   498.399   25.149 0.000000 25.14918 
1 1 1  -37   17    2 o  381.737   17.076 59579.70  5292.93 56715.99  9489.50 60872.93  6377.04  367.905   32.088  384.737   20.487 -16.83121 38.07030 
1 1 1  -37   17    3 o  420.800   19.346 72566.16  6610.23 60564.39 11656.93 78254.67  8025.30  377.492   38.573  435.631   22.767 -58.13910 44.79096 
1 1 1  -37   17    4 o  467.796   20.694 89848.05  7860.20 77066.95 13751.97 96049.48  9579.14  424.989   40.335  481.976   24.559 -56.98706 47.22340 
1 1 1  -37   17    5 o  188.657   12.617 14578.26  1921.53 13000.08  2981.62 15699.32  2512.98  176.613   21.216  195.307   15.987 -18.69464 26.56508 
1 1 1  -37   17    6 o  336.015   24.999 46945.80  6771.71   0.0000   0.0000 46945.80  6771.71  ?   ?   336.015   24.999 0.000000 24.99891 
1 1 1  -37   17    7 o   43.092   13.043  762.295  495.449 -861.4592  1025.30  1256.96  565.906   33.946   15.715   54.409   12.989 -20.46313 20.38822 
1 1 1  -37   17    8 o  237.563   14.002 23153.67  2688.94 24475.90  4099.49 22155.25  3562.30  242.735   21.007  231.313   19.139 11.42209 28.41793 
1 1 1  -37   17    9 o  380.823   19.328 59914.02  5956.81 67008.86  8667.47 53563.30  8200.34  399.651   26.866  356.356   28.581 43.29465 39.22585 
1 1 1  -37   17   10 o   94.453   22.053  3845.85  1660.57  3845.85  1660.57   0.0000   0.0000   94.453   22.053  ?   ?  0.000000 22.05273 
1 1 1  -37   17   11 o   60.654   8.4498  1527.75  404.842  771.732  1442.89  1592.36  421.784   55.586   21.845   61.919   8.6235 -6.333130 23.48533 
1 1 1  -37   17   12 o  188.201   9.2540 14457.22  1414.14 15401.56  2905.59 14164.10  1618.80  191.763   18.907  185.801   10.776 5.961884 21.76239 
1 1 1  -37   17   13 o   81.912   8.9041  2773.15  582.676  1432.40  1542.25  2996.40  629.319   63.379   23.094   85.125   9.2540 -21.74588 24.87922 
1 1 1  -37   17   14 o  139.977   9.0265  8058.82  1020.46  6159.21  2295.11  8526.88  1139.26  117.305   24.868  143.835   9.8134 -26.53076 26.73439 
1 1 1  -37   17   15 o  238.411   11.899 23561.51  2303.45 18933.01  4432.79 25273.64  2696.03  203.590   27.521  245.825   13.559 -42.23503 30.67962 
1 1 1  -37   17   16 o   62.088   13.081  1672.08  638.622 -2124.0081  1787.00  2227.88  683.777   40.352   19.298   72.188   12.093 -31.83567 22.77387 
1 1 1  -37   17   17 o   67.229   12.395  1955.06  651.695  2702.19  1931.84  1859.12  692.275   76.265   26.014   65.187   13.522 11.07768 29.31883 
1 1 1  -37   17   18 o  188.689   10.834 14992.71  1652.86 16309.41  3614.68 14644.63  1858.54  183.782   24.861  185.444   12.415 -1.662125 27.78843 
1 1 1  -37   17   19 o   54.186   15.194  1332.69  695.486 -1916.4500  2198.81  1693.89  733.126   45.040   21.502   61.045   14.917 -16.00461 26.17014 
1 1 1  -37   17   20 o   56.020   17.009  1479.33  841.620 -3014.3870  2463.29  2073.23  895.510   43.265   21.149   66.144   16.678 -22.87853 26.93366 
1 1 1  -37   17   21 o  109.623   16.393  5726.79  1414.31  4536.54  3162.23  6024.41  1581.28   77.612   31.696  110.618   18.241 -33.00535 36.57060 
1 1 1  -37   17   22 o   47.351   18.270  1076.10  994.736  3903.30  3021.51  732.429  1053.46   67.259   29.346   43.701   18.117 23.55704 34.48751 
1 1 1  -37   17   23 o   51.075   19.325  1582.42  1098.97   0.0000   0.0000  1582.42  1098.97  ?   ?    51.075   19.325 0.000000 19.32548 
1 1 1  -37   19    1 o  231.273   14.902 21937.75  2783.49   0.0000   0.0000 21937.75  2783.49  ?   ?   231.273   14.902 0.000000 14.90201 
1 1 1  -37   19    2 o  428.036   22.971 75707.02  7954.57   0.0000   0.0000 75707.02  7954.57  ?   ?   428.036   22.971 0.000000 22.97144 
1 1 1  -37   19    3 o  573.314   25.248 135958.80 11753.26 123193.20 20663.96 142063.50 14289.87  530.974   48.464  582.960   30.294 -51.98633 57.15252 
1 1 1  -37   19    4 o  358.821   16.114 52693.33  4694.69 50858.48  8304.47 53555.14  5691.42  348.049   29.669  360.564   19.513 -12.51480 35.51033 
1 1 1  -37   19    5 o  389.344   28.874 63553.42  9062.96   0.0000   0.0000 63553.42  9062.96  ?   ?   389.344   28.874 0.000000 28.87377 
1 1 1  -37   19    6 o  225.709   14.780 20930.24  2693.70 16909.38  4165.62 23819.94  3531.39  200.060   26.280  240.137   18.248 -40.07756 31.99368 
1 1 1  -37   19    7 o  165.719   12.015 11269.50  1605.70 13109.53  2658.07 10212.20  2014.89  177.553   18.719  157.031   16.027 20.52232 24.64327 
1 1 1  -37   19    8 o  268.868   15.883 29763.50  3451.97 28518.70  5237.16 30719.76  4590.21  260.473   25.072  271.784   20.962 -11.31122 32.68072 
1 1 1  -37   19    9 o  407.559   21.405 69077.19  7058.55 70880.27 10302.96 67482.33  9689.83  407.388   31.389  398.186   30.195 9.202759 43.55455 
1 1 1  -37   19   10 o  275.111   16.406 31283.87  3648.04 30032.23  5548.81 32236.74  4841.45  265.986   26.026  277.481   21.660 -11.49536 33.85994 
1 1 1  -37   19   11 o  305.545   13.613 38363.30  3377.33 37407.28  6446.08 38725.03  3965.12  295.395   27.180  305.879   16.021 -10.48389 31.55043 
1 1 1  -37   19   12 o   53.902   10.225  1228.52  431.151  1796.58  1579.16  1182.76  448.179   67.790   23.503   52.773   10.823 15.01701 25.87550 
1 1 1  -37   19   13 o  370.095   15.876 57181.16  4770.77 52526.00  8825.56 59103.03  5670.69  339.208   32.439  374.305   18.658 -35.09741 37.42210 
1 1 1  -37   19   14 o  271.036   12.853 30545.86  2828.57 26456.20  5505.84 32012.25  3296.91  239.989   28.832  276.073   14.761 -36.08452 32.39097 
1 1 1  -37   19   15 o   42.707   13.024  768.953  492.703 -120.4244  1661.74  854.675  515.901   49.390   21.650   44.777   13.255 4.613174 25.38544 
1 1 1  -37   19   16 o  152.959   10.298  9766.07  1271.51  5227.95  2819.34 10924.78  1424.61  101.043   31.215  161.543   10.925 -60.49950 33.07195 
1 1 1  -37   19   17 o   50.801   13.517  1139.21  567.350 -800.5036  2055.54  1299.16  590.279   49.315   22.619   54.199   13.471 -4.884068 26.32711 
1 1 1  -37   19   18 o   51.336   14.811  1180.95  651.568 -3300.2510  2228.37  1599.89  681.345   40.986   20.052   59.644   14.262 -18.65798 24.60637 
1 1 1  -37   19   19 o   25.715   11.821 -349.8619  565.584 -778.8700  2303.39 -322.3366  583.446   50.032   23.296   26.461   12.105 23.57088 26.25304 
1 1 1  -37   19   20 o   66.474   15.239  2083.86  804.950 -3217.2300  2417.67  2744.75  853.654   41.398   20.380   77.262   14.128 -35.86433 24.79817 
1 1 1  -37   19   21 o   78.340   19.532  3272.21  1238.10  2297.86  3243.37  3438.41  1339.54   62.004   28.429   79.185   20.628 -17.18194 35.12471 
1 1 1  -37   19   22 o   85.756   20.479  4306.12  1406.37  6849.56  3725.49  3883.44  1518.74   71.230   31.760   77.573   22.680 -6.343430 39.02674 
1 1 1  -37   19   23 o   38.794   17.757  425.986  1257.80   0.0000   0.0000  425.986  1257.80  ?   ?    38.794   17.757 0.000000 17.75682 
1 1 1  -37   21    1 o  283.595   17.347 33097.43  3975.25   0.0000   0.0000 33097.43  3975.25  ?   ?   283.595   17.347 0.000000 17.34684 
1 1 1  -37   21    2 o  275.733   17.533 31311.42  3905.01   0.0000   0.0000 31311.42  3905.01  ?   ?   275.733   17.533 0.000000 17.53300 
1 1 1  -37   21    3 o  404.478   18.335 67209.16  6021.47 65043.33 10851.67 68172.69  7238.00  390.768   34.557  405.737   22.053 -14.96915 40.99446 
1 1 1  -37   21    4 o  472.437   26.102 93166.29  9973.89   0.0000   0.0000 93166.29  9973.89  ?   ?   472.437   26.102 0.000000 26.10180 
1 1 1  -37   21    5 o  375.445   18.720 58018.02  5706.69 47716.13 10069.02 62893.04  6926.55  331.687   38.077  389.307   22.002 -57.62039 43.97698 
1 1 1  -37   21    6 o  166.147   13.730 11371.76  1835.61  7936.52  3125.86 13179.90  2267.81  134.938   29.364  178.558   15.805 -43.62006 33.34739 
1 1 1  -37   21    7 o  239.900   15.353 23713.29  2974.99 22381.24  4651.92 24635.06  3869.77  230.146   25.312  243.387   19.752 -13.24097 32.10673 
1 1 1  -37   21    8 o  295.582   17.506 36153.97  4182.75 34180.63  6355.02 37662.19  5555.81  283.244   27.999  299.680   23.008 -16.43539 36.23955 
1 1 1  -37   21    9 o   86.877   26.400  3225.36  2026.91  3225.36  2026.91   0.0000   0.0000   86.877   26.400  ?   ?  0.000000 26.39978 
1 1 1  -37   21   10 o   33.143   13.817   97.772  617.768 -2057.1240  1671.11  438.876  664.867   39.687   18.891   39.191   14.983 0.4956360 24.11112 
1 1 1  -37   21   11 o  227.386   11.017 21228.09  2034.03 20174.18  4332.81 21526.01  2303.65  215.419   25.250  228.292   12.475 -12.87337 28.16376 
1 1 1  -37   21   12 f  128.671   8.6101  6810.75  894.369  9784.83  2855.75  6487.33  941.744  148.435   24.553  125.425   9.3137 23.01045 26.25993 
1 1 1  -37   21   13 o  101.940   8.7979  4298.66  721.082  6346.65  2432.25  4101.31  755.025  117.182   26.218   99.407   9.4686 17.77480 27.87563 
1 1 1  -37   21   14 o   78.118   9.6536  2555.99  599.296  724.851  2233.51  2698.05  622.109   62.088   26.105   80.266   9.7453 -18.17804 27.86485 
1 1 1  -37   21   15 o   87.607   9.8467  3220.25  688.298  1789.34  2336.55  3356.22  720.258   69.942   27.699   89.384   10.101 -19.44170 29.48339 
1 1 1  -37   21   16 o  184.260   10.303 14218.05  1535.25 17776.98  3616.53 13435.72  1695.62  194.674   23.345  178.270   11.781 16.40358 26.14905 
1 1 1  -37   21   17 o  172.847   10.757 12631.80  1502.16 11822.47  3866.08 12775.71  1630.25  144.377   33.608  173.236   11.658 -28.85950 35.57246 
1 1 1  -37   21   18 o   93.465   11.477  3781.82  852.713  1118.43  3066.56  4005.02  887.724   64.910   28.888   96.152   11.605 -31.24172 31.13174 
1 1 1  -37   21   19 f   67.101   14.636  2088.98  774.944 -3146.7119  3072.07  2444.78  800.843   47.772   23.408   73.097   14.003 -25.32539 27.27659 
1 1 1  -37   21   20 o   84.794   21.363  3921.35  1470.21  238.540  3568.03  4674.52  1613.56   56.995   27.260   92.377   21.854 -35.38151 34.93835 
1 1 1  -37   21   21 o   53.831   19.867  1639.03  1146.66  396.984  3685.79  1772.12  1206.53   52.899   25.861   55.314   20.385 -2.414722 32.92904 
1 1 1  -37   21   22 o   41.144   18.662  551.876  1349.25   0.0000   0.0000  551.876  1349.25  ?   ?    41.144   18.662 0.000000 18.66158 
1 1 1  -37   23    1 o  132.949   14.971  7330.01  1588.02   0.0000   0.0000  7330.01  1588.02  ?   ?   132.949   14.971 0.000000 14.97123 
1 1 1  -37   23    2 o   96.039   15.642  3877.39  1177.78   0.0000   0.0000  3877.39  1177.78  ?   ?    96.039   15.642 0.000000 15.64191 
1 1 1  -37   23    3 o  392.541   18.600 63494.59  5928.50 66096.04 10893.19 62399.76  7066.73  392.193   34.560  387.181   22.576 5.011627 41.28093 
1 1 1  -37   23    4 o  543.889   24.500 123396.20 10819.58 111088.30 19233.42 129094.10 13086.58  495.571   48.417  552.475   29.277 -56.90405 56.58033 
1 1 1  -37   23    5 o  412.353   19.054 70267.70  6379.49 79655.21 11436.93 66027.63  7686.35  430.496   32.970  397.040   23.954 33.45663 40.75313 
1 1 1  -37   23    6 o  333.128   19.868 46171.02  5349.53 43777.74  8197.17 47946.46  7060.26  318.216   32.167  336.623   26.033 -18.40744 41.38158 
1 1 1  -37   23    7 o  302.207   18.500 37990.57  4517.67 36497.50  7069.83 39020.98  5873.20  290.360   30.440  303.841   24.002 -13.48111 38.76413 
1 1 1  -37   23    8 o   47.431   21.176 -599.9165  1662.05 -599.9165  1662.05   0.0000   0.0000   47.431   21.176  ?   ?  0.000000 21.17631 
1 1 1  -37   23    9 o  313.500   19.105 41315.24  4839.98 38679.14  7450.08 43240.27  6366.47  294.763   31.622  317.002   24.936 -22.23859 40.27060 
1 1 1  -37   23   10 o  300.830   17.950 38143.29  4364.60 39951.61  6767.60 36855.55  5710.99  300.145   28.096  291.246   24.374 8.899506 37.19518 
1 1 1  -37   23   11 o  103.010   14.246  4500.15  1159.64  5903.88  2399.01  4072.15  1324.69  113.407   26.526   96.883   17.483 16.52380 31.76864 
1 1 1  -37   23   12 f  325.513   14.007 44370.87  3702.02 45040.77  7483.19 44153.80  4259.82  310.510   30.057  322.609   16.315 -12.09940 34.19927 
1 1 1  -37   23   13 f  249.840   11.269 25953.69  2286.02 30548.90  5071.58 24781.98  2560.94  259.286   24.376  242.856   13.035 16.42949 27.64183 
1 1 1  -37   23   14 o  134.110   9.2040  7474.67  996.183  9190.69  3335.02  7306.56  1043.84  134.492   31.152  132.390   9.7797 2.102310 32.65067 
1 1 1  -37   23   15 o  161.833   10.493 10990.18  1371.43  5568.15  3974.04 11723.20  1461.20   98.700   36.874  166.984   10.835 -68.28463 38.43308 
1 1 1  -37   23   16 o   68.706   11.721  2050.02  630.411  2043.61  3061.14  2050.31  644.221   72.375   30.503   68.608   12.001 3.766426 32.77878 
1 1 1  -37   23   17 o   29.526   12.909 -54.6700  587.380 -3006.7329  3086.75   56.242  598.312   50.003   24.269   31.159   13.322 18.84407 27.68495 
1 1 1  -37   23   18 o   40.724   14.706  674.404  623.379  3212.51  3424.57  587.421  633.971   73.518   31.661   39.342   14.722 34.17572 34.91615 
1 1 1  -37   23   19 o   62.911   21.721  2159.61  1347.99  1995.57  3894.10  2181.94  1436.82   64.070   29.983   62.895   22.370 1.175438 37.40826 
1 1 1  -37   23   20 o   64.101   21.089  2429.07  1270.92  801.395  4309.61  2584.11  1330.07   56.033   27.510   65.590   21.573 -9.557209 34.96032 
1 1 1  -37   23   21 o   71.484   24.235  3874.20  1676.47  8032.41  4963.02  3338.63  1781.16   62.213   30.325   64.173   24.526 -1.959526 39.00187 
1 1 1  -37   25    1 o   80.913   17.888  2808.11  1144.00   0.0000   0.0000  2808.11  1144.00  ?   ?    80.913   17.888 0.000000 17.88835 
1 1 1  -37   25    2 o  216.753   16.787 19492.99  2931.46   0.0000   0.0000 19492.99  2931.46  ?   ?   216.753   16.787 0.000000 16.78728 
1 1 1  -37   25    3 o   84.842   18.758  3096.76  1257.85   0.0000   0.0000  3096.76  1257.85  ?   ?    84.842   18.758 0.000000 18.75756 
1 1 1  -37   25    4 o  515.908   23.389 111904.70  9797.64 123414.00 17695.28 106816.30 11765.76  520.854   42.204  498.583   29.191 22.27100 51.31533 
1 1 1  -37   25    5 o  336.261   17.657 47053.45  4803.96 41269.83  8879.12 49447.14  5712.21  302.814   36.874  343.241   20.591 -40.42651 42.23333 
1 1 1  -37   25    6 o  312.651   23.248 41627.67  5859.63 41241.28  7920.68 42094.77  8708.83  304.583   32.530  305.004   35.849 -0.4212646 48.40860 
1 1 1  -37   25    7 o  171.946   15.242 12354.96  2106.00 11520.35  3875.99 12704.58  2508.62  159.212   31.098  173.397   18.084 -14.18532 35.97382 
1 1 1  -37   25    8 o  158.502   15.182 10545.59  1929.99  7484.69  3630.76 11751.13  2278.57  125.516   34.539  166.693   17.076 -41.17754 38.52981 
1 1 1  -37   25    9 o  162.506   15.092 11121.59  1968.66  9854.55  3782.64 11592.28  2305.51  143.672   33.106  164.946   17.481 -21.27428 37.43744 
1 1 1  -37   25   10 o  236.244   16.926 23738.73  3225.30 23278.19  5431.73 23989.55  4008.47  222.837   30.847  234.456   21.288 -11.61911 37.48007 
1 1 1  -37   25   11 o  241.888   16.836 25027.08  3285.98 26563.87  5531.32 24188.92  4084.93  237.684   29.280  233.881   21.760 3.803360 36.48050 
1 1 1  -37   25   12 o   79.754   8.9321  2655.06  568.493  2366.81  2679.35  2668.65  581.739   76.984   29.906   79.912   9.1295 -2.927864 31.26822 
1 1 1  -37   25   13 o  105.114   9.0316  4603.91  763.353  3263.15  3057.17  4693.06  788.323   83.830   32.109  106.069   9.2458 -22.23852 33.41407 
1 1 1  -37   25   14 o   55.895   11.166  1354.80  489.020 -1131.1040  2752.08  1435.85  496.928   55.356   25.669   57.623   11.023 -2.266941 27.93517 
1 1 1  -37   25   15 o   61.211   11.351  1630.60  543.374  1401.16  2956.39  1638.62  552.791   67.946   29.339   61.305   11.528 6.641304 31.52242 
1 1 1  -37   25   16 o   23.401   10.696 -264.6702  454.267 -1546.1851  3163.42 -237.6878  459.025   54.953   26.109   23.853   10.844 31.09970 28.27168 
1 1 1  -37   25   17 o   25.711   11.464 -132.2515  485.351 -115.2513  3870.91 -132.5231  489.212   61.460   29.108   25.816   11.510 35.64413 31.30080 
1 1 1  -37   25   18 o   71.634   21.065  2779.11  1306.79 -2022.0630  4528.72  3215.18  1364.84   56.091   27.667   77.134   21.156 -21.04329 34.82911 
1 1 1  -37   25   19 o   50.512   19.789  1304.99  1180.86 -48.1032  4831.25  1390.96  1217.80   55.789   27.706   51.549   20.124 4.239765 34.24280 
1 1 1  -37   25   20 o   69.059   22.716  3305.76  1474.71  1529.13  5547.21  3440.88  1529.76   52.595   26.597   69.780   23.145 -17.18541 35.25795 
1 1 1  -37   27    1 o  177.202   17.451 13207.39  2478.34   0.0000   0.0000 13207.39  2478.34  ?   ?   177.202   17.451 0.000000 17.45125 
1 1 1  -37   27    2 o  356.659   22.263 54156.94  6414.95   0.0000   0.0000 54156.94  6414.95  ?   ?   356.659   22.263 0.000000 22.26264 
1 1 1  -37   27    3 o  303.004   20.157 38872.39  4930.94   0.0000   0.0000 38872.39  4930.94  ?   ?   303.004   20.157 0.000000 20.15708 
1 1 1  -37   27    4 o  190.166   15.644 15142.79  2394.20 12872.22  5212.08 15750.03  2695.40  162.562   39.805  193.298   17.359 -30.73553 43.42558 
1 1 1  -37   27    5 o  303.246   24.670 40070.37  6021.80 40723.65  8461.28 39399.88  8572.02  294.786   36.105  288.481   37.481 6.305481 52.04219 
1 1 1  -37   27    6 o  220.031   15.867 20357.32  2815.78 18592.03  5699.21 20927.38  3238.68  196.117   37.150  221.954   18.129 -25.83710 41.33745 
1 1 1  -37   27    7 o  207.653   15.814 18196.56  2646.39 17376.32  5277.10 18472.14  3058.81  189.344   35.632  207.910   18.306 -18.56584 40.05946 
1 1 1  -37   27    8 o  175.042   16.534 13055.41  2322.05 11783.17  4552.51 13502.79  2699.62  152.653   37.094  176.666   19.125 -24.01303 41.73367 
1 1 1  -37   27    9 o  220.712   17.886 20970.49  3177.74 17552.42  5744.05 22477.98  3814.65  182.673   39.848  226.166   21.013 -43.49275 45.04851 
1 1 1  -37   27   10 o  209.103   17.445 18903.21  2934.79 17528.23  5575.37 19430.21  3451.70  181.000   39.081  209.603   20.546 -28.60309 44.15218 
1 1 1  -37   27   11 o  148.109   17.243  9591.23  2034.84  917.383  4138.73 12356.34  2336.78   76.455   33.815  168.225   17.357 -91.77081 38.00925 
1 1 1  -37   27   12 o  109.229   17.583  5322.47  1506.49  3216.26  3810.31  5712.71  1640.12   84.796   34.730  112.676   18.574 -27.87992 39.38520 
1 1 1  -37   27   13 o   29.837   10.891  311.283  343.224  1487.23  3583.45  300.396  344.810   72.897   31.878   29.612   10.900 43.28473 33.68998 
1 1 1  -37   27   14 o   88.853   9.6984  3345.46  688.333 -178.9977  3663.28  3474.45  700.816   64.471   29.796   90.574   9.6792 -26.10288 31.32891 
1 1 1  -37   27   15 o   50.781   12.353  1154.79  504.492  1973.26  3623.09  1138.61  509.455   70.724   31.441   50.385   12.510 20.33873 33.83890 
1 1 1  -37   27   16 f   45.561   19.064  568.240  1182.03 -3565.5549  3826.10  1004.42  1242.83   52.068   25.634   50.589   20.149 1.478844 32.60484 
1 1 1  -37   27   17 o   49.927   20.710  984.052  1377.92  932.814  4253.33  990.060  1456.47   61.351   29.454   50.476   21.144 10.87527 36.25735 
1 1 1  -37   27   18 o   60.726   21.635  2202.54  1344.55 -2959.9570  4756.42  2650.89  1401.72   51.030   25.656   65.885   22.161 -14.85472 33.90215 
1 1 1  -37   27   19 o   23.464   11.728 -1972.5620  925.846 -6917.3618  4726.92 -1775.2930  944.133   42.889   21.948   24.488   12.176 18.40105 25.09865 
1 1 1  -37   29    1 o  110.288   20.740  5351.73  1789.14   0.0000   0.0000  5351.73  1789.14  ?   ?   110.288   20.740 0.000000 20.74039 
1 1 1  -37   29    2 o  148.828   35.835 10827.35  4278.62   0.0000   0.0000 10827.35  4278.62  ?   ?   148.828   35.835 0.000000 35.83538 
1 1 1  -37   29    3 o  145.327   36.190 10426.77  4254.17   0.0000   0.0000 10426.77  4254.17  ?   ?   145.327   36.190 0.000000 36.18995 
1 1 1  -37   29    4 o   66.955   22.168  1896.93  1403.58   0.0000   0.0000  1896.93  1403.58  ?   ?    66.955   22.168 0.000000 22.16837 
1 1 1  -37   29    5 o  129.659   17.807  7266.48  1825.21  7774.69  4693.50  7175.93  1981.15  122.028   40.545  127.999   19.693 -5.971466 45.07423 
1 1 1  -37   29    6 o  143.795   17.525  8926.57  2003.89  4839.35  4807.13  9786.18  2204.56  102.297   39.969  150.166   18.470 -47.86927 44.02990 
1 1 1  -37   29    7 o   29.174   13.367 -461.9019  715.087 -1803.6930  3671.26 -408.9883  729.050   63.745   29.590   29.995   13.648 33.74956 32.58562 
1 1 1  -37   29    8 o  203.920   17.248 17979.43  2829.12 18926.45  6188.11 17729.18  3181.03  183.719   42.350  200.593   19.788 -16.87369 46.74548 
1 1 1  -37   29    9 o  122.641   18.930  6701.84  1824.38 -2299.9629  4546.19  8429.76  1991.80   67.797   31.937  138.226   18.188 -70.42831 36.75313 
1 1 1  -37   29   10 o  108.465   19.622  5346.86  1664.49  9112.33  4255.50  4666.73  1808.57  125.103   38.301   99.342   22.892 25.76157 44.62073 
1 1 1  -37   29   11 o   50.263   19.277  889.021  1102.70  582.532  4224.30  911.432  1142.31   72.939   33.058   50.946   19.600 21.99311 38.43155 
1 1 1  -37   29   12 o  178.346   19.098 14544.12  2722.62  8729.13  5764.28 16213.92  3088.89  107.447   43.186  186.561   20.742 -79.11477 47.90914 
1 1 1  -37   29   13 o  155.246   10.658 10248.18  1335.35  6294.06  5109.82 10538.02  1383.43   93.082   39.329  157.273   10.901 -64.19094 40.81195 
1 1 1  -37   29   14 f   27.842   10.872  220.906  355.517 -421.6335  3954.01  226.143  356.963   62.184   29.442   27.987   10.903 34.19771 31.39574 
1 1 1  -37   29   15 o   62.872   22.185  2068.13  1410.49 -2674.3279  4745.40  2527.72  1477.25   57.699   28.434   68.339   22.748 -10.64048 36.41364 
1 1 1  -37   29   16 o   44.026   19.321  388.460  1326.84 -6278.1328  4853.45  926.951  1379.39   49.763   25.131   48.973   20.549 0.7905083 32.46294 
1 1 1  -37   29   17 o   50.768   20.493  1354.55  1304.15 -1775.0300  5427.04  1546.35  1343.52   53.274   26.864   52.774   20.971 0.5006790 34.07983 
1 1 1  -37   29   18 o   55.168   23.027  2255.43  1718.64 -2885.7419  6087.58  2700.69  1791.52   48.410   24.783   58.452   23.863 -10.04210 34.40370 
1 1 1  -37   31    1 o   95.855   23.969  4237.19  1860.65   0.0000   0.0000  4237.19  1860.65  ?   ?    95.855   23.969 0.000000 23.96912 
1 1 1  -37   31    2 o  180.403   20.542 14315.75  2955.40   0.0000   0.0000 14315.75  2955.40  ?   ?   180.403   20.542 0.000000 20.54233 
1 1 1  -37   31    3 o  240.998   21.188 25625.94  4104.04   0.0000   0.0000 25625.94  4104.04  ?   ?   240.998   21.188 0.000000 21.18824 
1 1 1  -37   31    4 o  174.300   19.782 13371.86  2750.01   0.0000   0.0000 13371.86  2750.01  ?   ?   174.300   19.782 0.000000 19.78152 
1 1 1  -37   31    5 f  133.607   19.722  7935.21  2075.17 10146.60  5687.58  7595.62  2228.82  129.570   44.623  129.346   22.010 0.2235718 49.75607 
1 1 1  -37   31    6 o  107.346   21.865  5298.09  1841.04  6398.66  5546.99  5161.85  1951.67  107.021   42.585  105.042   23.474 1.979500 48.62576 
1 1 1  -37   31    7 o  184.229   17.944 14919.60  2650.12 21157.49  6321.69 13589.65  2918.99  191.126   41.892  173.226   21.195 17.90083 46.94825 
1 1 1  -37   31    8 o   72.006   21.703  2416.39  1373.92 -5782.5791  5555.29  2950.57  1417.97   65.019   31.778   79.246   21.493 -14.22657 38.36412 
1 1 1  -37   31    9 o   45.678   19.146  364.063  1195.27 -917.7982  4516.05  460.624  1239.48   69.276   32.377   47.224   19.620 22.05250 37.85788 
1 1 1  -37   31   10 o  102.938   21.788  5083.36  1764.32  7951.43  5561.41  4762.40  1860.42  104.593   42.285   98.236   23.615 6.356750 48.43279 
1 1 1  -37   31   11 o  144.211   20.517  9848.31  2334.64  9986.64  6609.54  9828.59  2495.51  105.257   44.616  142.274   22.338 -37.01695 49.89533 
1 1 1  -37   31   12 o  137.973   22.339  9466.26  2417.07  2330.30  6402.85 10652.18  2610.20   77.440   36.893  145.965   22.766 -68.52522 43.35209 
1 1 1  -37   31   13 o   37.481   17.161 -410.1774  1175.98  329.130  5049.59 -452.5737  1209.22   66.416   31.939   37.718   17.318 28.69774 36.33210 
1 1 1  -37   31   14 o   40.672   18.286 -35.0184  1262.67  903.338  5222.16 -93.2840  1301.29   64.207   31.255   40.755   18.420 23.45168 36.27952 
1 1 1  -37   31   15 o   57.831   22.598  1902.81  1536.87 -206.0586  5700.46  2068.11  1595.97   58.586   29.255   59.410   23.080 -0.8235741 37.26333 
1 1 1  -37   31   16 o   67.216   23.571  3089.51  1590.43  1547.60  6180.73  3198.85  1645.85   56.073   28.323   67.797   23.960 -11.72369 37.09838 
1 1 1  -37   33    1 o  108.421   27.277  5747.90  2399.26   0.0000   0.0000  5747.90  2399.26  ?   ?   108.421   27.277 0.000000 27.27732 
1 1 1  -37   33    2 o   43.243   19.406 -408.2159  1415.01   0.0000   0.0000 -408.2159  1415.01  ?   ?    43.243   19.406 0.000000 19.40584 
1 1 1  -37   33    3 o   93.739   26.458  4303.74  2101.77   0.0000   0.0000  4303.74  2101.77  ?   ?    93.739   26.458 0.000000 26.45807 
1 1 1  -37   33    4 o   80.436   24.582  3098.93  1753.87   0.0000   0.0000  3098.93  1753.87  ?   ?    80.436   24.582 0.000000 24.58237 
1 1 1  -37   33    5 o   74.973   24.345  2667.11  1695.80   0.0000   0.0000  2667.11  1695.80  ?   ?    74.973   24.345 0.000000 24.34511 
1 1 1  -37   33    6 o   82.899   25.277  3396.63  1855.80  5862.97  7263.88  3224.41  1919.51   98.509   44.105   80.780   25.868 17.72922 51.13092 
1 1 1  -37   33    7 o   71.130   23.950  2420.67  1637.27 -81.3863  6776.37  2575.79  1687.26   79.971   38.059   72.962   24.313 7.009476 45.16182 
1 1 1  -37   33    8 o  151.338   21.392 10855.02  2555.47 22476.59  7949.57  9515.68  2698.71  156.347   52.774  138.124   24.982 18.22205 58.38837 
1 1 1  -37   33    9 o  118.476   23.969  7071.56  2226.63  5502.77  8281.61  7193.80  2311.75   88.738   42.185  118.716   24.783 -29.97890 48.92645 
1 1 1  -37   33   10 f   70.037   24.125  2537.67  1662.51 -952.7892  6778.87  2761.04  1714.88   71.406   34.943   72.490   24.511 -1.083389 42.68214 
1 1 1  -37   33   11 o  115.500   24.383  7143.58  2214.95  8423.98  7623.35  7025.53  2314.81   85.526   40.605  112.696   25.847 -27.17051 48.13335 
1 1 1  -37   33   12 o  125.218   24.801  8757.98  2432.42  7918.41  9091.14  8822.71  2524.46   76.580   38.026  124.106   25.889 -47.52673 46.00280 
1 1 1  -37   33   13 o   78.617   25.677  3968.63  1885.39  8849.06  7805.92  3666.28  1942.92   72.657   35.929   74.724   26.061 -2.067307 44.38557 
1 1 1  -37   33   14 o   40.230   18.616 -126.0070  1436.53  2449.00  7610.80 -221.1335  1462.82   59.582   30.242   39.952   18.589 19.63054 35.49820 
1 1 1  -37   33   15 o   43.075   19.628  511.149  1514.77 -9280.4541  8006.10  874.678  1542.64   48.159   24.837   45.563   20.367 2.596458 32.11989 
1 1 1  -37   35    1 o   66.808   26.610  1771.27  2167.81   0.0000   0.0000  1771.27  2167.81  ?   ?    66.808   26.610 0.000000 26.60963 
1 1 1  -37   35    2 o   89.930   29.398  4310.72  2471.24   0.0000   0.0000  4310.72  2471.24  ?   ?    89.930   29.398 0.000000 29.39792 
1 1 1  -37   35    3 o   76.366   27.972  2898.03  2266.71   0.0000   0.0000  2898.03  2266.71  ?   ?    76.366   27.972 0.000000 27.97161 
1 1 1  -37   35    4 o  145.412   27.355 10885.25  3111.21   0.0000   0.0000 10885.25  3111.21  ?   ?   145.412   27.355 0.000000 27.35456 
1 1 1  -37   35    5 o  108.361   28.361  6358.35  2524.44   0.0000   0.0000  6358.35  2524.44  ?   ?   108.361   28.361 0.000000 28.36134 
1 1 1  -37   35    6 o  159.879   27.510 13521.72  3442.50   0.0000   0.0000 13521.72  3442.50  ?   ?   159.879   27.510 0.000000 27.51028 
1 1 1  -37   35    7 o  172.038   24.759 15238.75  3358.98 13073.51 11440.07 15443.03  3513.85   93.992   45.865  171.306   26.086 -77.31454 52.76441 
1 1 1  -37   35    8 o  151.464   24.710 12085.76  2934.19  9679.22  9732.93 12326.34  3077.36   86.823   42.353  151.186   26.006 -64.36224 49.70053 
1 1 1  -37   35    9 o   40.150   18.859 -869.5299  1565.39  5336.77  8794.96 -1072.5750  1590.80   76.868   38.034   39.481   18.687 37.38673 42.37689 
1 1 1  -37   35   10 o   59.155   23.418  1814.28  1669.57  5086.05  9284.14  1704.94  1697.24   71.854   36.087   58.207   23.420 13.64691 43.02092 
1 1 1  -37   35   11 o   63.306   24.337  2444.61  1760.23 -3000.6609  9627.52  2632.93  1790.42   61.347   31.388   65.035   24.653 -3.687878 39.91163 
1 1 1  -37   35   12 o   47.883   21.540  723.171  1755.23 -1688.1770  8461.46  831.600  1794.26   57.232   29.293   48.751   21.867 8.480259 36.55447 
1 1 1  -37   37    1 o   52.772   23.908  -1.1450  2206.95   0.0000   0.0000  -1.1450  2206.95  ?   ?    52.772   23.908 0.000000 23.90796 
1 1 1  -37   37    2 o   92.640   31.811  5451.57  2889.33   0.0000   0.0000  5451.57  2889.33  ?   ?    92.640   31.811 0.000000 31.81058 
1 1 1  -37   37    3 o   62.465   26.829  1495.41  2446.83   0.0000   0.0000  1495.41  2446.83  ?   ?    62.465   26.829 0.000000 26.82932 
1 1 1  -37   37    4 o   81.547   30.738  4261.26  2773.40   0.0000   0.0000  4261.26  2773.40  ?   ?    81.547   30.738 0.000000 30.73756 
1 1 1  -37   37    5 f  118.098   32.585  9197.58  3226.50   0.0000   0.0000  9197.58  3226.50  ?   ?   118.098   32.585 0.000000 32.58506 
1 1 1  -37   37    6 o  106.727   31.535  7686.09  2922.45   0.0000   0.0000  7686.09  2922.45  ?   ?   106.727   31.535 0.000000 31.53480 
1 1 1  -37   37    7 o   96.171   30.961  6560.97  2746.90   0.0000   0.0000  6560.97  2746.90  ?   ?    96.171   30.961 0.000000 30.96060 
1 1 1  -37   37    8 o   66.020   26.956  2867.63  2286.29 19797.93 13636.85  2377.99  2319.12   74.200   37.914   62.510   26.458 11.68937 46.23336 
1 1 1  -37   37    9 o   79.292   28.530  4811.40  2343.46 -8587.6689 11939.92  5348.25  2389.94   58.246   30.051   83.684   28.920 -25.43720 41.70620 
1 1 1  -37   37   10 o   79.580   29.179  5454.14  2467.59  4698.66 12243.10  5486.13  2519.29   59.276   30.576   79.077   29.395 -19.80094 42.41454 
1 1 1  -37   39    1 o   65.848   29.311  2731.83  3158.93   0.0000   0.0000  2731.83  3158.93  ?   ?    65.848   29.311 0.000000 29.31149 
1 1 1  -37   39    2 o   77.811   32.572  5270.65  3452.58   0.0000   0.0000  5270.65  3452.58  ?   ?    77.811   32.572 0.000000 32.57166 
1 1 1  -37   39    3 o   68.891   29.503  3523.73  2943.30   0.0000   0.0000  3523.73  2943.30  ?   ?    68.891   29.503 0.000000 29.50289 
1 1 1  -37   39    4 o   52.216   24.757  113.125  2815.07   0.0000   0.0000  113.125  2815.07  ?   ?    52.216   24.757 0.000000 24.75662 
1 1 1  -37   39    5 o   61.020   27.780  2475.09  3025.90   0.0000   0.0000  2475.09  3025.90  ?   ?    61.020   27.780 0.000000 27.78041 
1 1 1  -36    0    1 o  329.971   25.409 45068.08  6714.91 45068.08  6714.91   0.0000   0.0000  329.971   25.409  329.971   25.409 0.000000 0.000000 
1 1 1  -36    0    3 o  896.230   62.206 334507.81 44766.75 334507.81 44766.75   0.0000   0.0000  896.230   62.206  896.230   62.206 0.000000 0.000000 
1 1 1  -36    0    4 f  405.941   28.705 68066.44  9352.87 68066.44  9352.87   0.0000   0.0000  405.941   28.705  405.941   28.705 0.000000 0.000000 
1 1 1  -36    0    5 o  714.315   49.688 211784.59 28498.77 211784.59 28498.77   0.0000   0.0000  714.315   49.688  714.315   49.688 0.000000 0.000000 
1 1 1  -36    0    6 o   49.912   12.391  1180.56  434.589  1180.56  434.589   0.0000   0.0000   49.912   12.391   49.912   12.391 0.000000 0.000000 
1 1 1  -36    0    8 o  632.434   30.940 164458.70 15801.27 160266.59 22404.42 168607.59 22288.76  619.823   45.065  636.519   43.595 0.000000 0.000000 
1 1 1  -36    0    9 o  225.436   12.839 20858.79  2332.68 14369.94  3364.82 26863.00  3236.73  183.339   23.693  255.547   15.736 0.000000 0.000000 
1 1 1  -36    0   10 o  192.139   10.426 15135.25  1615.69 18514.67  2359.83 12153.25  2216.74  212.016   13.843  170.495   16.359 0.000000 0.000000 
1 1 1  -36    0   11 o  475.952   34.104 94499.41 13024.35 94499.41 13024.35   0.0000   0.0000  475.952   34.104  475.952   34.104 0.000000 0.000000 
1 1 1  -36    0   12 o  860.466   42.463 309219.69 29502.74 303855.50 41801.11 314544.09 41645.68  839.707   62.089  855.685   60.640 0.000000 0.000000 
1 1 1  -36    0   13 o  102.823   8.7294  4388.74  716.724  5115.64  1141.24  3915.32  921.008  109.774   13.327   95.779   12.419 0.000000 0.000000 
1 1 1  -36    0   14 o   62.137   9.6215  1678.15  450.788  1509.60  774.361  1764.55  554.415   52.527   19.528   62.592   12.251 0.000000 0.000000 
1 1 1  -36    0   15 o  103.304   9.1704  4440.51  755.263  3308.13  1254.13  5084.88  946.052   82.780   21.593  110.242   10.807 0.000000 0.000000 
1 1 1  -36    0   16 o   81.248   9.5756  2794.79  608.685  1541.92  1099.18  3348.91  731.000   50.675   23.796   88.911   10.512 0.000000 0.000000 
1 1 1  -36    0   17 o  196.465   11.733 15897.48  1856.46 15285.58  2785.70 16386.35  2489.97  190.558   18.398  198.402   15.682 0.000000 0.000000 
1 1 1  -36    0   18 f   97.225   10.177  3977.83  783.247  1308.25  1548.76  4895.23  907.908   47.791   26.703  108.046   10.582 0.000000 0.000000 
1 1 1  -36    0   19 o   72.724   10.731  2295.43  593.179  1350.76  1421.62  2494.57  652.713   47.495   25.924   75.714   11.374 0.000000 0.000000 
1 1 1  -36    0   20 o  209.191   12.471 18153.11  2101.03 22071.46  3356.32 15628.22  2694.22  228.282   18.381  191.744   17.649 0.000000 0.000000 
1 1 1  -36    0   21 o  112.394   10.847  5323.15  968.713  4407.43  1883.51  5652.49  1129.56   90.471   29.058  115.276   12.434 0.000000 0.000000 
1 1 1  -36    0   22 o  101.425   11.580  4396.65  921.493  4350.41  2194.57  4406.55  1015.34   84.854   33.265  100.901   12.984 0.000000 0.000000 
1 1 1  -36    0   23 o  111.023   11.736  5264.75  1030.96  6894.28  2111.55  4754.72  1181.33  119.645   24.605  103.713   14.926 0.000000 0.000000 
1 1 1  -36    0   24 o   17.868   11.988 -168.4156  488.695  934.704  1798.53 -256.3529  507.801   42.904   26.440   17.417   11.838 0.000000 0.000000 
1 1 1  -36    0   25 o   30.475   16.489  584.142  570.519   0.0000   0.0000  584.142  570.519   30.475   16.489   30.475   16.489 0.000000 0.000000 
1 1 1  -36    0   26 f   19.903   12.952   9.2545  504.965   0.0000   0.0000   9.2545  504.965   19.903   12.952   19.903   12.952 0.000000 0.000000 
1 1 1  -36    2    1 f  1862.39   92.370 1478296.00 139682.70 1417435.00 197551.70 1539144.00 197530.59  1768.19  138.711  1851.53  132.262 -83.33142 191.6609 
1 1 1  -36    2    2 o  785.905   54.198 256301.00 34374.17 256301.00 34374.17   0.0000   0.0000  785.905   54.198  ?   ?  0.000000 54.19843 
1 1 1  -36    2    4 o  852.626   59.154 303226.81 40699.52 303226.81 40699.52   0.0000   0.0000  852.626   59.154  ?   ?  0.000000 59.15441 
1 1 1  -36    2    5 o  909.022   43.943 340095.09 32434.36 328911.81 45915.34 351233.41 45823.01  884.984   64.338  915.732   61.993 -30.74835 89.34476 
1 1 1  -36    2    6 o  773.511   38.513 245884.80 24188.59 208693.91 34262.58 282838.91 34153.33  704.033   60.525  824.273   51.284 -120.2399 79.33008 
1 1 1  -36    2    7 o  369.627   14.801 55594.11  4442.29 56916.19  7756.56 54948.80  5419.04  372.253   25.822  367.262   18.172 4.990356 31.57524 
1 1 1  -36    2    8 o  524.232   20.621 112242.70  8777.56 112219.40 15257.76 112254.30 10731.13  519.708   36.387  523.479   25.247 -3.771545 44.28762 
1 1 1  -36    2    9 o   74.691   5.0792  2276.45  306.204  1841.13  436.288  2699.03  429.860   66.798   8.2172   81.238   6.5731 -14.43925 10.52274 
1 1 1  -36    2   10 o  290.458   10.243 34336.03  2415.80 34898.43  3416.19 33773.44  3416.72  292.476   14.385  287.323   14.695 5.152863 20.56360 
1 1 1  -36    2   11 o  167.865   8.0791 11460.18  1101.19 12365.63  1965.17 11045.74  1329.53  173.499   14.071  164.423   10.006 9.076416 17.26600 
1 1 1  -36    2   12 o  262.147   9.6333 27979.78  2050.49 28811.45  2896.22 27143.96  2903.44  265.312   13.489  257.427   13.943 7.884735 19.39946 
1 1 1  -36    2   13 o  236.258   9.1926 22730.40  1763.44 23719.40  2485.72 21728.30  2502.12  240.670   12.766  230.207   13.444 10.46326 18.53970 
1 1 1  -36    2   14 o  290.634   10.231 34446.55  2414.44 32409.95  3404.73 36506.80  3424.44  280.805   14.987  298.595   14.124 -17.78983 20.59379 
1 1 1  -36    2   15 o  289.369   10.719 34194.91  2518.62 34734.64  3551.88 33649.07  3571.93  290.426   15.114  285.749   15.452 4.677643 21.61528 
1 1 1  -36    2   16 o  288.057   10.668 33928.21  2495.12 33159.46  3516.91 34707.30  3540.46  283.305   15.346  289.941   15.091 -6.636292 21.52279 
1 1 1  -36    2   17 o   49.197   8.1809  1014.22  315.318  908.509  443.420  1122.37  448.476   46.159   11.789   51.344   11.082 -5.185387 16.18013 
1 1 1  -36    2   18 o   88.339   6.8323  3205.76  486.262  3006.57  649.920  3459.06  732.886   85.042   9.5789   91.187   10.066 -6.144173 13.89549 
1 1 1  -36    2   19 o   91.202   7.0533  3427.19  518.258  3713.18  711.175  3103.33  756.807   94.436   9.3996   85.805   11.124 8.631699 14.56387 
1 1 1  -36    2   20 o  188.484   8.1844 14653.69  1252.57 13566.99  1754.98 15782.04  1788.30  179.319   12.125  193.869   11.411 -14.55022 16.64960 
1 1 1  -36    2   21 o  157.531   7.8442 10265.69  1003.35 10050.16  1414.90 10483.71  1423.04  153.915   11.403  157.327   11.213 -3.411346 15.99237 
1 1 1  -36    2   22 o   58.893   10.644  1510.52  490.262  1703.14  673.548  1293.47  714.975   61.409   13.840   53.205   15.563 8.203754 20.82649 
1 1 1  -36    2   23 o  100.192   8.1946  4243.20  660.818  4103.65  895.582  4409.97  979.062   96.627   11.650   99.753   12.352 -3.125175 16.97897 
1 1 1  -36    2   24 o   68.038   9.7460  2037.46  523.031  1944.22  674.718  2177.84  827.927   64.370   13.347   66.675   15.574 -2.305893 20.51121 
1 1 1  -36    2   25 o  106.401   9.1544  5010.75  783.184  5324.56  1056.69  4628.25  1166.63  106.078   12.509   95.299   15.618 10.77833 20.00973 
1 1 1  -36    2   26 o   27.318   12.247   13.527  562.180   0.0000   0.0000   13.527  562.180  ?   ?    27.318   12.247 0.000000 12.24748 
1 1 1  -36    4    1 o  608.281   25.211 150787.00 12452.05 154355.50 15204.66 143518.70 21699.26  614.903   30.453  589.190   45.716 25.71271 54.93008 
1 1 1  -36    4    2 o  490.752   34.195 98944.34 13540.80 98944.34 13540.80   0.0000   0.0000  490.752   34.195  ?   ?  0.000000 34.19529 
1 1 1  -36    4    3 o  833.190   57.781 289135.19 38848.71 289135.19 38848.71   0.0000   0.0000  833.190   57.781  ?   ?  0.000000 57.78111 
1 1 1  -36    4    4 o  654.840   45.408 177349.41 23994.55 177349.41 23994.55   0.0000   0.0000  654.840   45.408  ?   ?  0.000000 45.40778 
1 1 1  -36    4    5 o  675.713   32.735 186875.91 17960.14 181046.30 25459.79 192650.50 25339.58  660.448   47.799  681.915   46.034 -21.46680 66.36223 
1 1 1  -36    4    6 o  589.239   23.674 141668.30 11326.80 120959.90 19699.79 151895.30 13843.99  539.060   45.431  609.532   27.972 -70.47296 53.35196 
1 1 1  -36    4    7 o  1247.87   50.936 651289.88 51610.03 538820.62 89464.48 707386.62 63183.25  1084.08  102.869  1293.02   60.181 -208.9371 119.1794 
1 1 1  -36    4    8 o  245.795   12.887 24657.45  2563.08   0.0000   0.0000 24657.45  2563.08  ?   ?   245.795   12.887 0.000000 12.88743 
1 1 1  -36    4    9 o  240.712   10.547 23576.32  2061.49 18340.53  3623.47 26082.10  2506.71  210.501   21.502  253.085   12.198 -42.58391 24.72087 
1 1 1  -36    4   10 o  149.601   7.7727  9123.99  940.908  7399.13  1690.21  9898.54  1132.63  133.666   15.884  155.734   8.9954 -22.06778 18.25456 
1 1 1  -36    4   11 o  355.865   14.508 51712.98  4191.98 55776.92  7310.01 49721.69  5116.94  366.791   24.689  347.912   18.177 18.87894 30.65805 
1 1 1  -36    4   12 o  543.732   18.877 121388.10  8334.03 122861.50 11775.87 119909.50 11796.35  543.998   26.660  536.562   27.165 7.435425 38.06145 
1 1 1  -36    4   13 o  604.631   21.197 150900.30 10406.62 150791.70 14705.12 151009.20 14729.28  598.578   30.355  598.990   30.384 -0.4122925 42.94926 
1 1 1  -36    4   14 o   63.936   10.506  1710.86  526.465  2040.52  635.769  991.619  939.082   69.768   11.633   51.914   18.118 17.85356 21.53052 
1 1 1  -36    4   15 o  250.948   9.8536 25697.37  2007.79 26369.37  2818.19 25004.71  2861.18  253.236   13.758  246.435   14.361 6.800430 19.88752 
1 1 1  -36    4   16 o  475.142   16.654 93310.82  6424.93 89400.77  9068.57 97251.50  9103.99  459.878   24.373  480.995   23.311 -21.11719 33.72581 
1 1 1  -36    4   17 o  257.636   9.8785 27182.43  2066.50 26648.36  2902.73 27731.27  2942.61  253.568   14.155  258.719   14.061 -5.150269 19.95150 
1 1 1  -36    4   18 o  134.029   7.3351  7366.89  795.222  7074.09  1058.29  7746.63  1205.21  130.753   10.045  136.624   10.956 -5.870941 14.86417 
1 1 1  -36    4   19 o   99.064   7.0830  4041.75  565.977  4478.55  758.719  3493.74  849.835  103.847   9.0896   90.886   11.794 12.96088 14.89020 
1 1 1  -36    4   20 o   64.427   7.8420  1734.61  401.777  1907.46  523.737  1487.41  626.325   67.071   9.9159   58.146   13.522 8.925224 16.76789 
1 1 1  -36    4   21 o  259.925   10.363 28359.30  2187.16 28940.43  3087.98 27774.29  3098.27  257.867   14.810  252.152   15.204 5.715027 21.22514 
1 1 1  -36    4   22 o  204.148   9.1268 17494.45  1512.88 18514.79  2137.74 16470.69  2141.32  206.434   12.817  193.771   13.698 12.66316 18.75942 
1 1 1  -36    4   23 o  156.988   8.5727 10427.20  1088.62 10308.24  1521.31 10552.04  1558.45  152.817   12.367  154.454   12.535 -1.637482 17.60832 
1 1 1  -36    4   24 o   23.124   10.049  -8.9059  351.277  140.006  408.731 -429.7240  687.100   27.148   11.272   27.365   12.736 -0.2170525 17.00745 
1 1 1  -36    4   25 o   37.439   11.848  663.025  403.567  432.057  480.594  1215.37  743.204   32.970   12.705   47.826   16.136 -14.85567 20.53786 
1 1 1  -36    4   26 f   24.871   11.785 -406.0699  636.196   0.0000   0.0000 -406.0699  636.196  ?   ?    24.871   11.785 0.000000 11.78530 
1 1 1  -36    6    1 o  798.504   55.958 265247.41 36051.93   0.0000   0.0000 265247.41 36051.93  ?   ?   798.504   55.958 0.000000 55.95849 
1 1 1  -36    6    4 o  732.955   34.401 220059.20 20473.20 247306.41 29000.55 192988.20 28906.62  772.872   46.428  680.418   52.734 92.45398 70.25948 
1 1 1  -36    6    5 o  653.787   31.338 175009.91 16636.13 182497.09 23561.35 167566.09 23492.88  663.537   43.981  635.122   45.864 28.41461 63.54394 
1 1 1  -36    6    6 o  673.743   32.984 186429.20 18044.38 158282.91 25542.08 214472.30 25495.19  613.697   51.741  718.202   43.931 -104.5054 67.87495 
1 1 1  -36    6    7 o  632.115   25.823 163710.91 13253.60 123672.20 23017.45 183570.41 16210.66  539.162   53.274  668.329   29.873 -129.1672 61.07795 
1 1 1  -36    6    8 o  353.927   17.910 51273.52  5130.11   0.0000   0.0000 51273.52  5130.11  ?   ?   353.927   17.910 0.000000 17.90979 
1 1 1  -36    6    9 o  459.034   18.241 86176.61  6798.78 97908.98 11837.81 80401.83  8305.12  485.325   30.190  441.793   23.234 43.53177 38.09478 
1 1 1  -36    6   10 o  179.503   8.4619 13105.24  1233.33 15493.67  2210.29 12025.34  1486.22  194.359   14.102  171.522   10.725 22.83728 17.71701 
1 1 1  -36    6   11 o  460.516   18.361 86936.80  6865.53 98347.88 11948.94 81313.01  8388.42  484.832   30.508  443.460   23.379 41.37146 38.43621 
1 1 1  -36    6   12 o   90.835   9.1550  3392.96  666.021  2912.45  961.790  3835.66  923.188   83.179   14.782   96.222   12.083 -13.04309 19.09192 
1 1 1  -36    6   13 o  240.812   10.646 23646.96  2081.59 24222.80  3683.53 23376.79  2523.08  241.880   18.906  238.818   13.061 3.061371 22.97857 
1 1 1  -36    6   14 o  134.918   6.4571  7404.24  707.372  7118.70  983.990  7709.62  1017.61  131.838   9.2506  137.234   9.1854 -5.395706 13.03628 
1 1 1  -36    6   15 o   94.603   6.3218  3657.60  482.808  3375.62  645.680  4015.23  727.145   90.558   8.8960   98.803   9.1683 -8.244850 12.77487 
1 1 1  -36    6   16 o  220.188   8.3428 19778.30  1491.57 19443.20  2087.49 20127.85  2132.01  217.466   11.867  221.262   11.911 -3.796112 16.81360 
1 1 1  -36    6   17 o  219.043   8.8265 19627.30  1569.83 19700.44  2192.95 19550.44  2248.24  218.306   12.423  217.352   12.796 0.9534760 17.83416 
1 1 1  -36    6   18 o  125.192   6.9451  6426.77  703.212  6112.02  943.897  6819.37  1054.20  121.514   9.6459  128.251   10.208 -6.736534 14.04440 
1 1 1  -36    6   19 o  338.025   11.853 47684.75  3253.36 49111.70  4598.45 46254.71  4603.43  338.509   16.730  327.468   17.375 11.04160 24.12056 
1 1 1  -36    6   20 o   54.377   8.7953  1253.48  375.076  890.923  463.306  1943.02  638.936   45.217   12.295   66.977   12.198 -21.75999 17.31944 
1 1 1  -36    6   21 o  154.746   8.3583  9972.38  1046.32 10697.26  1428.16  9132.50  1537.29  158.762   11.149  145.396   13.164 13.36586 17.25140 
1 1 1  -36    6   22 o   66.330   8.6875  1871.49  456.637  1621.08  554.778  2397.52  804.084   60.569   11.704   72.839   14.105 -12.27071 18.32877 
1 1 1  -36    6   23 o   77.709   8.6854  2582.77  538.655  1970.60  682.600  3593.16  876.950   65.574   13.276   89.676   12.373 -24.10257 18.14773 
1 1 1  -36    6   24 o   65.478   10.308  1916.62  529.940  1981.81  609.317  1714.17  1073.77   65.675   11.863   56.353   19.390 9.322147 22.73096 
1 1 1  -36    6   25 o   20.154   9.0554 -89.8733  309.108  106.948  341.370 -985.9933  728.404   24.340   10.218   23.827   11.615 0.5133018 15.46993 
1 1 1  -36    8    1 o  539.221   38.519 119937.40 16753.91   0.0000   0.0000 119937.40 16753.91  ?   ?   539.221   38.519 0.000000 38.51932 
1 1 1  -36    8    2 o  534.057   38.367 117689.30 16526.37   0.0000   0.0000 117689.30 16526.37  ?   ?   534.057   38.367 0.000000 38.36676 
1 1 1  -36    8    4 o  114.147   11.587  5350.82  1059.05   0.0000   0.0000  5350.82  1059.05  ?   ?   114.147   11.587 0.000000 11.58717 
1 1 1  -36    8    5 o  672.400   47.026 188872.30 25513.17   0.0000   0.0000 188872.30 25513.17  ?   ?   672.400   47.026 0.000000 47.02635 
1 1 1  -36    8    6 o   93.714   11.163  3621.93  832.731   0.0000   0.0000  3621.93  832.731  ?   ?    93.714   11.163 0.000000 11.16335 
1 1 1  -36    8    7 o  153.418   9.0244  9601.89  1119.22   0.0000   0.0000  9601.89  1119.22  ?   ?   153.418   9.0244 0.000000 9.024401 
1 1 1  -36    8    8 o  260.639   13.919 27768.58  2934.98   0.0000   0.0000 27768.58  2934.98  ?   ?   260.639   13.919 0.000000 13.91880 
1 1 1  -36    8    9 o  119.882   7.1717  5862.76  694.889  5273.73  1342.45  6078.34  812.159  112.686   15.048  121.982   8.2483 -9.295929 17.16036 
1 1 1  -36    8   10 o  388.339   15.768 61635.87  4971.84 72235.46  8696.01 56488.40  6060.00  417.333   25.789  370.442   20.224 46.89044 32.77290 
1 1 1  -36    8   11 o  459.313   18.358 86535.00  6846.48 93252.77 11931.18 83236.95  8359.84  471.262   31.359  448.602   23.028 22.66049 38.90665 
1 1 1  -36    8   12 o  126.176   7.5215  6499.30  767.084  5440.25  1435.37  6922.69  907.555  114.179   15.915  130.126   8.6387 -15.94692 18.10852 
1 1 1  -36    8   13 o   34.788   11.021  485.118  349.112  1340.31  748.961  247.726  394.603   56.371   15.753   30.090   11.533 26.28042 19.52396 
1 1 1  -36    8   14 o   54.758   9.5554  1257.99  409.395  855.712  906.317  1361.12  458.879   49.447   17.748   56.888   10.314 -7.440182 20.52702 
1 1 1  -36    8   15 o  142.212   8.4188  8273.57  967.805  8468.32  1812.54  8195.90  1144.63  142.517   15.936  141.314   10.041 1.202530 18.83562 
1 1 1  -36    8   16 f  203.101   9.8204 16870.99  1619.50 17474.72  2955.33 16611.88  1936.09  204.206   18.008  200.844   11.926 3.362076 21.59893 
1 1 1  -36    8   17 o  188.489   9.8968 14619.89  1509.37 13801.62  2725.12 14982.01  1812.84  179.948   18.935  190.285   11.791 -10.33643 22.30626 
1 1 1  -36    8   18 o  188.130   10.029 14640.57  1526.49 13968.61  2770.74 14933.42  1829.13  179.334   19.334  189.273   11.963 -9.939575 22.73587 
1 1 1  -36    8   19 o   69.511   7.2470  2004.35  403.015  2077.46  507.867  1880.02  662.294   70.361   9.1029   65.866   12.845 4.495644 15.74360 
1 1 1  -36    8   20 o   91.309   7.3378  3455.85  539.428  3662.29  695.119  3143.31  855.278   93.453   9.2835   85.308   12.738 8.145554 15.76182 
1 1 1  -36    8   21 o   15.036   7.1869 -329.9096  247.234 -181.9464  268.333 -1161.3320  636.076   17.830   8.1762   21.845   10.693 -4.014452 13.46044 
1 1 1  -36    8   22 o  103.680   7.7392  4505.21  646.822  4229.33  830.680  4930.09  1030.89   99.162   10.475  106.135   12.183 -6.972374 16.06746 
1 1 1  -36    8   23 o   54.695   10.048  1321.53  429.788  1276.69  486.580  1480.70  916.709   53.085   11.612   54.811   17.904 -1.726292 21.34015 
1 1 1  -36    8   24 o   78.900   9.0083  2724.82  566.763  2396.25  662.969  3616.95  1092.42   72.205   11.709   84.589   16.498 -12.38404 20.23064 
1 1 1  -36    8   25 o   24.724   10.206  146.026  332.324  -6.5912  361.556  977.026  843.672   22.922   10.072   43.137   16.775 -20.21491 19.56617 
1 1 1  -36   10    1 o  290.519   23.175 34666.05  5421.42   0.0000   0.0000 34666.05  5421.42  ?   ?   290.519   23.175 0.000000 23.17546 
1 1 1  -36   10    2 o  1173.88   58.404 579318.88 55667.25 629795.88 78653.10 528656.12 78797.85  1202.90   81.000  1093.63   89.522 109.2682 120.7275 
1 1 1  -36   10    3 o  712.506   50.412 212936.41 28976.80 212936.41 28976.80   0.0000   0.0000  712.506   50.412  ?   ?  0.000000 50.41229 
1 1 1  -36   10    4 o   91.792   12.616  3491.67  915.418  3491.67  915.418   0.0000   0.0000   91.792   12.616  ?   ?  0.000000 12.61572 
1 1 1  -36   10    5 o  434.504   31.142 78122.14 10913.97 78122.14 10913.97   0.0000   0.0000  434.504   31.142  ?   ?  0.000000 31.14155 
1 1 1  -36   10    6 o  246.212   19.245 24918.15  3816.88 24918.15  3816.88   0.0000   0.0000  246.212   19.245  ?   ?  0.000000 19.24545 
1 1 1  -36   10    8 o  151.720   12.488  9442.26  1524.77   0.0000   0.0000  9442.26  1524.77  ?   ?   151.720   12.488 0.000000 12.48818 
1 1 1  -36   10    9 f  168.751   13.566 11690.17  1843.08   0.0000   0.0000 11690.17  1843.08  ?   ?   168.751   13.566 0.000000 13.56583 
1 1 1  -36   10   10 o  182.949   10.755 13680.90  1590.57   0.0000   0.0000 13680.90  1590.57  ?   ?   182.949   10.755 0.000000 10.75473 
1 1 1  -36   10   11 o  551.839   27.793 127099.20 12413.42   0.0000   0.0000 127099.20 12413.42  ?   ?   551.839   27.793 0.000000 27.79302 
1 1 1  -36   10   12 o  416.991   21.093 71972.91  7118.35   0.0000   0.0000 71972.91  7118.35  ?   ?   416.991   21.093 0.000000 21.09254 
1 1 1  -36   10   13 o  269.329   14.200 29796.07  3094.37   0.0000   0.0000 29796.07  3094.37  ?   ?   269.329   14.200 0.000000 14.19998 
1 1 1  -36   10   14 o  190.069   11.426 14820.20  1755.15   0.0000   0.0000 14820.20  1755.15  ?   ?   190.069   11.426 0.000000 11.42581 
1 1 1  -36   10   15 o  187.429   11.350 14433.79  1719.15   0.0000   0.0000 14433.79  1719.15  ?   ?   187.429   11.350 0.000000 11.34988 
1 1 1  -36   10   16 o  154.887   10.481  9878.48  1310.35   0.0000   0.0000  9878.48  1310.35  ?   ?   154.887   10.481 0.000000 10.48090 
1 1 1  -36   10   17 o  118.738   8.9482  5815.29  856.364  4705.71  1679.80  6204.93  995.435  103.190   20.767  122.414   10.105 -19.22469 23.09552 
1 1 1  -36   10   18 o  166.445   9.6906 11474.56  1303.99 11877.15  2561.75 11333.77  1514.94  164.546   19.557  164.799   11.391 -0.2530365 22.63268 
1 1 1  -36   10   19 o  143.359   9.5945  8558.03  1110.38  8917.66  2291.78  8447.71  1269.31  140.296   20.744  141.828   11.111 -1.532486 23.53210 
1 1 1  -36   10   20 o  103.576   9.8399  4516.91  817.596  4239.87  1740.13  4595.40  926.193   93.447   23.072  103.965   11.146 -10.51818 25.62315 
1 1 1  -36   10   21 o  208.390   11.517 18562.13  1941.19 17695.46  3622.36 18911.30  2299.20  188.332   24.252  208.233   13.674 -19.90118 27.84114 
1 1 1  -36   10   22 o   69.374   14.169  2205.58  771.149  3496.73  1736.82  1888.54  860.632   79.827   24.474   62.913   16.605 16.91445 29.57503 
1 1 1  -36   10   23 o   31.560   14.151 -131.1093  750.708  407.313  1681.34 -265.1735  838.979   47.665   21.288   32.078   14.613 15.58662 25.82148 
1 1 1  -36   10   24 o   49.448   19.579  1290.37  1167.17   0.0000   0.0000  1290.37  1167.17  ?   ?    49.448   19.579 0.000000 19.57873 
1 1 1  -36   10   25 o   37.237   16.252  483.862  927.260   0.0000   0.0000  483.862  927.260  ?   ?    37.237   16.252 0.000000 16.25163 
1 1 1  -36   12    1 o   91.001   15.596  3468.18  1110.93   0.0000   0.0000  3468.18  1110.93  ?   ?    91.001   15.596 0.000000 15.59604 
1 1 1  -36   12    2 o  323.265   15.763 42580.20  4137.57 36783.54  7305.91 45317.22  5020.24  297.441   30.692  332.736   18.657 -35.29529 35.91751 
1 1 1  -36   12    3 o  621.057   32.147 159527.30 16155.41 140605.91 23029.03 177862.50 22669.61  575.560   49.767  651.188   43.119 -75.62781 65.84793 
1 1 1  -36   12    4 o  486.423   24.856 97327.29  9784.24 90475.71 13983.66 103898.80 13694.88  465.126   37.341  499.856   33.943 -34.73050 50.46314 
1 1 1  -36   12    5 o  355.158   18.609 51689.41  5347.67 47427.22  7668.59 55724.11  7461.15  338.092   28.192  367.418   25.161 -29.32571 37.78690 
1 1 1  -36   12    6 o  132.231   9.6236  7150.27  1026.18  6290.12  1523.39  7864.77  1388.45  123.189   15.578  138.394   12.490 -15.20533 19.96728 
1 1 1  -36   12    7 o  126.542   9.8223  6554.69  1001.32  4494.72  1524.20  8118.74  1328.12  103.210   18.884  140.703   11.732 -37.49314 22.23147 
1 1 1  -36   12    8 f  280.949   14.919 32317.53  3391.26 34114.53  4870.59 30626.60  4724.66  287.514   21.009  272.222   21.551 15.29181 30.09702 
1 1 1  -36   12    9 o  264.306   10.434 28448.92  2239.18 40191.69  4062.18 23323.49  2683.73  313.094   16.033  238.629   13.911 74.46428 21.22656 
1 1 1  -36   12   10 o  386.883   18.741 61452.33  5887.20 66674.27  8502.96 56644.11  8159.18  400.016   26.326  368.135   27.495 31.88113 38.06602 
1 1 1  -36   12   11 o  376.360   18.063 58194.52  5519.96 65709.45  7986.75 51322.02  7637.74  397.092   24.897  349.903   27.094 47.18900 36.79609 
1 1 1  -36   12   12 o  359.250   18.673 53307.23  5428.18 51973.17  7864.33 54521.11  7501.72  351.095   27.814  360.569   25.794 -9.473724 37.93341 
1 1 1  -36   12   13 o  326.419   17.068 43994.66  4508.11 44785.47  6570.77 43291.36  6196.54  326.266   24.993  321.217   23.930 5.048370 34.60192 
1 1 1  -36   12   14 o  261.898   14.481 28275.21  3067.37 28567.53  4532.33 28028.17  4166.55  260.868   21.592  258.993   19.967 1.875061 29.40876 
1 1 1  -36   12   15 o  145.844   11.079  8765.66  1302.23 10248.06  2201.12  7967.40  1615.23  156.093   17.679  138.228   14.613 17.86470 22.93623 
1 1 1  -36   12   16 o   32.779   14.428 -183.1458  744.564   0.0000   0.0000 -183.1458  744.564  ?   ?    32.779   14.428 0.000000 14.42751 
1 1 1  -36   12   17 o  146.965   16.726  9247.95  1960.37   0.0000   0.0000  9247.95  1960.37  ?   ?   146.965   16.726 0.000000 16.72607 
1 1 1  -36   12   18 o   38.141   16.461 -10.3375  929.826   0.0000   0.0000 -10.3375  929.826  ?   ?    38.141   16.461 0.000000 16.46130 
1 1 1  -36   12   19 o   49.905   19.000  874.261  1066.38   0.0000   0.0000  874.261  1066.38  ?   ?    49.905   19.000 0.000000 18.99979 
1 1 1  -36   12   20 o   80.865   20.377  3117.60  1337.43   0.0000   0.0000  3117.60  1337.43  ?   ?    80.865   20.377 0.000000 20.37728 
1 1 1  -36   12   21 o   70.706   21.723  2505.18  1367.52   0.0000   0.0000  2505.18  1367.52  ?   ?    70.706   21.723 0.000000 21.72293 
1 1 1  -36   12   22 o   71.658   24.971  2913.57  1783.65   0.0000   0.0000  2913.57  1783.65  ?   ?    71.658   24.971 0.000000 24.97134 
1 1 1  -36   14    1 o  500.452   35.839 104617.50 14466.84   0.0000   0.0000 104617.50 14466.84  ?   ?   500.452   35.839 0.000000 35.83918 
1 1 1  -36   14    2 o  379.914   21.589 59309.00  6632.20 46882.52  9670.80 70342.76  9112.76  333.810   36.263  412.419   27.368 -78.60913 45.43183 
1 1 1  -36   14    3 o  228.643   14.277 21392.74  2637.29 16491.12  3972.19 25256.78  3526.80  198.761   25.177  248.034   17.627 -49.27328 30.73415 
1 1 1  -36   14    4 o  402.695   20.275 66572.03  6608.09 69758.48  9549.08 63643.83  9153.94  409.953   28.872  391.445   29.007 18.50851 40.92641 
1 1 1  -36   14    5 o  307.329   16.594 38692.85  4125.41 37104.43  6005.38 40112.27  5676.90  299.238   24.944  311.762   22.579 -12.52377 33.64506 
1 1 1  -36   14    6 o  452.506   23.722 84475.82  8685.60 74789.87 12437.96 93694.57 12134.26  420.977   36.756  473.712   31.731 -52.73529 48.55766 
1 1 1  -36   14    7 o  372.526   27.150 57709.67  8155.77   0.0000   0.0000 57709.67  8155.77  ?   ?   372.526   27.150 0.000000 27.15002 
1 1 1  -36   14    8 o  131.922   10.092  7127.33  1072.81  7205.27  1643.13  7069.41  1416.36  131.851   15.654  130.930   13.517 0.9214172 20.68235 
1 1 1  -36   14    9 o  420.318   21.815 73001.63  7419.55 67845.45 10611.75 77932.98 10377.82  400.707   32.906  431.098   29.831 -30.39157 44.41508 
1 1 1  -36   14   10 o  400.882   16.125 65856.84  5248.90 75589.60  9331.29 61351.84  6348.49  425.067   27.178  385.352   20.362 39.71436 33.95996 
1 1 1  -36   14   11 o   46.593   10.896  921.197  404.858  2106.67  1043.44  711.101  439.271   70.252   18.160   41.418   12.223 28.83459 21.89000 
1 1 1  -36   14   12 o  413.234   16.460 70219.43  5522.78 77016.80  9807.91 67063.46  6683.00  426.563   28.481  401.926   20.547 24.63715 35.11902 
1 1 1  -36   14   13 o  321.665   13.267 42420.14  3465.08 47618.37  6276.77 40141.52  4155.71  336.770   23.094  311.668   16.480 25.10110 28.37113 
1 1 1  -36   14   14 o   81.769   8.7658  2759.86  572.914  2679.34  1582.67  2772.00  614.594   78.958   23.172   81.846   9.4199 -2.887672 25.01327 
1 1 1  -36   14   15 o  240.780   11.201 23821.66  2189.93 26148.87  4152.01 22924.73  2577.63  247.896   20.820  235.183   13.556 12.71323 24.84446 
1 1 1  -36   14   16 o  180.850   10.018 13499.31  1465.32 11768.73  2875.59 14106.29  1703.02  163.666   22.213  184.434   11.428 -20.76773 24.98010 
1 1 1  -36   14   17 o  151.003   9.8102  9456.62  1196.30  8704.45  2557.98  9667.19  1353.44  138.187   23.648  152.267   11.022 -14.07944 26.09015 
1 1 1  -36   14   18 o   39.177   14.468  535.280  608.336  3838.82  1685.16   40.259  652.324   90.272   22.942   32.711   13.946 57.56161 26.84835 
1 1 1  -36   14   19 o   76.837   13.050  2573.71  785.031  2000.35  2039.54  2673.42  850.562   68.401   26.220   77.990   13.943 -9.589226 29.69696 
1 1 1  -36   14   20 o   82.157   13.104  2969.03  844.773  2092.60  2255.15  3112.09  911.114   68.275   27.157   83.778   13.880 -15.50320 30.49855 
1 1 1  -36   14   21 f  118.405   11.462  6086.28  1088.15  6296.10  2792.80  6048.73  1181.53  100.218   31.086  117.257   12.608 -17.03909 33.54528 
1 1 1  -36   14   22 o   48.455   17.036  1094.95  831.002  473.130  2116.36  1208.30  903.572   51.797   23.444   50.418   17.760 1.378475 29.41166 
1 1 1  -36   14   23 o   40.194   16.343  608.959  836.098  2006.76  2813.75  473.586  875.649   57.536   26.417   39.003   16.369 18.53262 31.07797 
1 1 1  -36   14   24 o   33.283   14.843  138.979  814.165   0.0000   0.0000  138.979  814.165  ?   ?    33.283   14.843 0.000000 14.84324 
1 1 1  -36   16    1 o  184.251   12.425 13890.52  1847.95   0.0000   0.0000 13890.52  1847.95  ?   ?   184.251   12.425 0.000000 12.42468 
1 1 1  -36   16    2 o  126.539   9.4362  6549.46  962.557  8910.83  1830.41  5646.84  1131.67  146.947   15.578  117.133   12.072 29.81380 19.70822 
1 1 1  -36   16    3 o  385.899   15.901 60807.80  4982.33 60557.00  8775.65 60927.09  6052.35  381.673   28.523  385.259   19.410 -3.586334 34.50123 
1 1 1  -36   16    4 o  576.382   31.153 138388.30 14525.49 116551.90 20826.36 159072.20 20269.27  518.437   50.099  612.513   40.992 -94.07556 64.73180 
1 1 1  -36   16    5 o  573.315   30.859 137043.30 14312.26 114297.40 20476.15 158771.80 20012.97  512.685   49.817  611.522   40.535 -98.83704 64.22481 
1 1 1  -36   16    6 o  262.956   15.287 28345.24  3249.89 25250.14  4823.29 30918.75  4398.14  246.232   24.448  273.782   19.921 -27.55057 31.53647 
1 1 1  -36   16    7 o  660.732   33.465 183568.50 17895.17 180211.50 25519.07 186816.59 25101.29  641.896   49.340  655.312   47.497 -13.41638 68.48662 
1 1 1  -36   16    8 o  497.384   24.796 102463.70 10014.07 106076.40 14356.17 99040.09 13975.56  499.752   35.612  482.633   35.920 17.11942 50.58115 
1 1 1  -36   16    9 o  142.397   10.748  8313.38  1233.56 10124.62  1948.12  7101.10  1593.78  156.479   15.538  130.828   15.292 25.65117 21.80090 
1 1 1  -36   16   10 o  147.209   7.3076  8817.26  873.471 11514.84  1412.40  7146.61  1111.51  167.718   10.423  131.971   10.458 35.74620 14.76549 
1 1 1  -36   16   11 o  204.063   9.3013 16974.62  1541.16 20693.29  3024.56 15670.51  1791.12  223.688   16.775  195.555   11.329 28.13303 20.24190 
1 1 1  -36   16   12 o  238.558   10.121 23234.25  1960.52 29384.34  3762.66 20942.34  2296.96  266.260   17.502  225.803   12.578 40.45760 21.55250 
1 1 1  -36   16   13 o  130.339   8.4511  6958.93  889.566  6553.67  2055.46  7052.33  986.763  123.588   21.249  131.088   9.3316 -7.499977 23.20787 
1 1 1  -36   16   14 o  174.765   9.8739 12547.89  1395.40 11414.31  2864.84 12900.49  1597.75  162.775   22.259  176.921   11.180 -14.14537 24.90886 
1 1 1  -36   16   15 o  259.132   12.362 27785.54  2601.10 24705.63  4947.48 28962.04  3057.80  235.566   26.316  263.340   14.355 -27.77379 29.97650 
1 1 1  -36   16   16 o  161.263   9.9799 10772.96  1300.35  9131.73  2774.61 11234.91  1472.02  141.187   25.124  164.314   11.098 -23.12645 27.46594 
1 1 1  -36   16   17 o   64.217   12.772  1787.46  642.525  739.244  1737.55  1953.50  691.545   56.560   23.342   67.090   13.165 -10.53016 26.79873 
1 1 1  -36   16   18 o  196.556   11.229 16253.82  1784.70 12685.17  3684.68 17347.64  2039.96  158.062   29.803  202.256   12.483 -44.19441 32.31161 
1 1 1  -36   16   19 o   97.975   11.974  4131.52  932.730  4959.28  2314.26  3970.99  1019.17   96.706   27.917   95.290   13.554 1.416245 31.03396 
1 1 1  -36   16   20 o  120.604   11.136  6253.48  1078.23  4038.00  2792.72  6641.59  1168.87   82.518   30.895  123.929   11.757 -41.41123 33.05635 
1 1 1  -36   16   21 o   31.824   13.747   52.372  649.539  2124.82  2352.36 -118.6801  675.813   64.579   26.946   30.489   13.566 34.09001 30.16851 
1 1 1  -36   16   22 o   50.923   17.461  1292.60  870.371 -5087.2241  2693.34  2036.53  919.718   38.330   19.276   63.039   17.399 -24.70943 25.96675 
1 1 1  -36   16   23 o   47.922   18.484  1230.88  1017.87   0.0000   0.0000  1230.88  1017.87  ?   ?    47.922   18.484 0.000000 18.48377 
1 1 1  -36   16   24 o   28.719   13.594 -408.2047  842.144   0.0000   0.0000 -408.2047  842.144  ?   ?    28.719   13.594 0.000000 13.59438 
1 1 1  -36   18    1 o  106.768   12.100  4703.86  1030.49   0.0000   0.0000  4703.86  1030.49  ?   ?   106.768   12.100 0.000000 12.10040 
1 1 1  -36   18    2 f  203.495   14.343 16982.74  2354.81   0.0000   0.0000 16982.74  2354.81  ?   ?   203.495   14.343 0.000000 14.34346 
1 1 1  -36   18    3 o  378.483   17.064 58606.21  5243.93 59002.68  9307.73 58421.83  6347.14  375.362   30.811  376.625   20.836 -1.263580 37.19492 
1 1 1  -36   18    4 o  352.618   16.051 50842.18  4595.63 47510.28  8090.26 52429.49  5584.02  336.694   29.904  357.001   19.336 -20.30756 35.61095 
1 1 1  -36   18    5 o  431.497   22.761 76952.81  7946.42 74758.22 11566.38 78914.70 10935.96  420.666   34.158  433.620   31.270 -12.95456 46.30967 
1 1 1  -36   18    6 o  188.462   12.594 14556.32  1916.04 13970.86  2999.97 14959.67  2490.07  183.183   20.522  190.481   16.255 -7.298309 26.18005 
1 1 1  -36   18    7 o   75.852   12.096  2405.27  719.935  1353.88  1373.70  2803.40  845.325   61.534   21.875   81.840   13.168 -20.30570 25.53202 
1 1 1  -36   18    8 o  229.072   14.410 21555.36  2666.61 18437.47  4046.03 23949.72  3545.63  209.468   24.237  240.683   18.280 -31.21509 30.35708 
1 1 1  -36   18    9 f   80.485   12.586  2709.82  795.581  2303.94  1721.62  2820.03  897.115   75.464   24.531   81.883   13.996 -6.419128 28.24277 
1 1 1  -36   18   10 o  585.551   45.694 153761.41 21553.23 153761.41 21553.23   0.0000   0.0000  585.551   45.694  ?   ?  0.000000 45.69421 
1 1 1  -36   18   11 o  324.661   12.715 43178.38  3351.75 48108.91  6284.43 41218.33  3962.35  338.568   22.997  316.542   15.416 22.02570 27.68596 
1 1 1  -36   18   12 o  200.399   9.5811 16406.71  1559.00 16767.13  3304.63 16303.54  1768.13  199.335   20.720  199.280   10.970 0.5526733E-01 23.44476 
1 1 1  -36   18   13 o  239.752   10.937 23588.17  2129.06 25086.25  4197.14 23069.13  2470.52  242.727   21.519  236.264   12.927 6.463470 25.10338 
1 1 1  -36   18   14 o   99.199   9.0187  4067.02  718.489  3626.26  1869.43  4143.41  778.265   89.693   24.826   99.995   9.7078 -10.30221 26.65623 
1 1 1  -36   18   15 o   55.996   12.176  1351.31  537.806  2993.07  1601.91  1142.76  570.944   81.195   23.162   51.379   13.507 29.81633 26.81275 
1 1 1  -36   18   16 o   39.607   13.430  619.968  514.862  1946.22  1590.63  464.751  544.157   67.505   23.578   36.986   13.679 30.51949 27.25887 
1 1 1  -36   18   17 o  125.681   9.7759  6601.02  989.766  6198.29  2536.16  6673.38  1075.01  111.216   28.080  126.059   10.601 -14.84253 30.01453 
1 1 1  -36   18   18 o  145.264   10.575  8901.15  1238.70  6638.05  2798.68  9452.49  1381.37  111.015   30.232  149.219   11.489 -38.20392 32.34150 
1 1 1  -36   18   19 o  118.714   10.660  6010.50  1016.59  5727.44  2838.23  6052.16  1088.82   98.417   31.449  118.704   11.438 -20.28645 33.46434 
1 1 1  -36   18   20 o   54.844   16.482  1418.10  793.235  3316.11  2623.39  1227.11  832.190   74.795   29.436   51.529   17.070 23.26587 34.02722 
1 1 1  -36   18   21 o   71.387   19.071  2637.19  1126.40  1401.79  3012.01  2838.05  1214.53   60.022   27.475   73.423   19.883 -13.40143 33.91459 
1 1 1  -36   18   22 f   89.759   19.539  4416.15  1383.58  7986.91  3568.40  3784.35  1501.00   84.111   33.918   78.865   22.394 5.246590 40.64403 
1 1 1  -36   18   23 o   51.000   20.764  1724.95  1351.84   0.0000   0.0000  1724.95  1351.84  ?   ?    51.000   20.764 0.000000 20.76416 
1 1 1  -36   20    1 o  437.952   23.194 79316.96  8218.42   0.0000   0.0000 79316.96  8218.42  ?   ?   437.952   23.194 0.000000 23.19391 
1 1 1  -36   20    2 o  237.050   15.926 23090.01  3047.57   0.0000   0.0000 23090.01  3047.57  ?   ?   237.050   15.926 0.000000 15.92590 
1 1 1  -36   20    3 o  290.732   14.675 34634.54  3453.01 32864.38  6272.42 35404.28  4136.18  279.799   27.984  293.401   17.440 -13.60275 32.97409 
1 1 1  -36   20    4 o  276.739   17.682 31536.91  3952.41   0.0000   0.0000 31536.91  3952.41  ?   ?   276.739   17.682 0.000000 17.68189 
1 1 1  -36   20    5 o  139.898   12.930  8059.27  1452.12  4151.24  2457.32 10156.27  1800.04   98.684   28.848  156.971   14.279 -58.28683 32.18873 
1 1 1  -36   20    6 o  304.923   18.162 38347.80  4476.20 33088.45  6729.81 42520.55  5994.42  279.278   30.156  319.585   23.260 -40.30634 38.08449 
1 1 1  -36   20    7 o  340.438   19.598 47944.95  5394.58 42028.73  8010.46 52854.88  7297.47  313.859   31.875  355.279   25.466 -41.41925 40.79863 
1 1 1  -36   20    8 o  118.659   12.141  5813.16  1153.24  5424.71  2022.98  6000.17  1403.65  112.328   22.955  120.117   14.699 -7.788673 27.25805 
1 1 1  -36   20    9 o  253.293   24.394 27057.97  4954.98 27057.97  4954.98   0.0000   0.0000  253.293   24.394  ?   ?  0.000000 24.39405 
1 1 1  -36   20   10 f  162.389   13.038 10881.68  1704.69  9315.92  2853.74 11750.37  2125.60  147.016   24.788  168.184   15.749 -21.16809 29.36774 
1 1 1  -36   20   11 o  122.962   8.9241  6206.04  884.918  2695.64  2455.38  6730.06  948.670   82.954   29.271  128.033   9.1865 -45.07891 30.67892 
1 1 1  -36   20   12 o  126.043   8.7671  6527.86  891.657  5631.54  2483.93  6660.44  955.331  111.706   27.557  127.226   9.3126 -15.51948 29.08754 
1 1 1  -36   20   13 o  177.394   9.4639 12954.87  1358.23 14993.74  3137.36 12484.61  1506.75  186.034   21.146  173.792   10.730 12.24248 23.71218 
1 1 1  -36   20   14 o   19.969   9.2702 -311.1153  360.442 -3312.2329  1649.69 -160.6653  369.366   34.052   16.777   22.174   9.9354 11.87747 19.49857 
1 1 1  -36   20   15 o  206.504   11.192 17785.94  1869.59 11741.75  4037.33 19435.86  2109.39  152.174   33.575  215.412   12.109 -63.23814 35.69223 
1 1 1  -36   20   16 o  132.592   10.022  7347.37  1071.05  5694.40  2860.44  7616.91  1155.08  104.641   31.264  134.773   10.642 -30.13221 33.02596 
1 1 1  -36   20   17 f   72.282   12.035  2261.85  681.512  4565.81  2370.85  2054.32  711.543   93.546   28.580   68.369   13.296 25.17696 31.52117 
1 1 1  -36   20   18 o  117.619   10.714  5890.35  1012.03  5758.17  2959.81  5907.84  1076.94   98.834   32.166  117.418   11.441 -18.58380 34.14053 
1 1 1  -36   20   19 o  108.174   11.145  5060.38  964.857  3735.36  3093.92  5203.12  1015.50   78.406   31.595  109.426   11.607 -31.02006 33.65936 
1 1 1  -36   20   20 o   41.937   18.007  340.876  1101.54  3346.62  2870.15 -178.3372  1192.89   71.557   29.804   38.915   17.608 32.64195 34.61657 
1 1 1  -36   20   21 o   52.726   19.110  1453.63  1053.92 -787.4828  2747.97  1840.13  1141.19   48.250   23.293   57.799   19.983 -9.548878 30.69039 
1 1 1  -36   20   22 o   77.815   23.002  4065.47  1554.60  4525.91  3983.76  3982.75  1688.47   59.584   28.578   74.058   24.304 -14.47459 37.51571 
1 1 1  -36   22    1 o  356.072   20.304 52390.93  5845.88   0.0000   0.0000 52390.93  5845.88  ?   ?   356.072   20.304 0.000000 20.30376 
1 1 1  -36   22    2 o  317.370   18.665 41549.84  4788.80   0.0000   0.0000 41549.84  4788.80  ?   ?   317.370   18.665 0.000000 18.66548 
1 1 1  -36   22    3 o  231.251   15.837 22016.75  2955.85   0.0000   0.0000 22016.75  2955.85  ?   ?   231.251   15.837 0.000000 15.83743 
1 1 1  -36   22    4 o  341.123   17.037 47787.89  4718.86 42270.07  8519.80 50229.68  5667.60  313.975   33.960  348.395   20.121 -34.41968 39.47328 
1 1 1  -36   22    5 o  293.298   15.737 35387.80  3733.94 29740.51  6696.85 37935.44  4498.00  263.354   31.974  302.994   18.370 -39.63962 36.87486 
1 1 1  -36   22    6 o  128.183   13.238  6793.85  1358.01  7432.40  2512.48  6530.31  1614.10  131.572   24.417  125.060   16.282 6.511909 29.34758 
1 1 1  -36   22    7 o  286.197   17.598 33894.64  4069.58 31438.91  6319.35 35634.74  5319.47  271.157   29.160  291.705   22.636 -20.54712 36.91501 
1 1 1  -36   22    8 o  276.034   26.512 32440.02  5869.08 32440.02  5869.08   0.0000   0.0000  276.034   26.512  ?   ?  0.000000 26.51221 
1 1 1  -36   22    9 o  273.022   16.990 30968.20  3747.84 28957.72  5793.48 32415.04  4914.75  258.992   27.995  277.245   22.013 -18.25250 35.61329 
1 1 1  -36   22   10 o  231.691   15.516 22329.27  2902.13 21394.45  4694.12 22907.67  3692.35  221.740   26.603  233.004   19.701 -11.26425 33.10363 
1 1 1  -36   22   11 o  271.460   17.359 30995.63  3806.19 28021.12  5959.93 33044.36  4946.23  249.691   29.997  277.351   22.148 -27.66075 37.28790 
1 1 1  -36   22   12 o  107.041   8.5243  4726.02  734.739  4855.51  2406.66  4712.71  771.576  102.252   28.113  106.797   8.9811 -4.544975 29.51308 
1 1 1  -36   22   13 o  258.625   12.036 27804.59  2527.49 30694.21  5421.15 27002.03  2857.00  259.935   26.036  253.518   13.933 6.416855 29.52915 
1 1 1  -36   22   14 o  129.905   9.0424  6994.02  947.834  9024.70  3026.23  6773.15  998.051  137.046   28.138  127.630   9.7035 9.415611 29.76408 
1 1 1  -36   22   15 o  143.969   9.8229  8645.40  1141.42  8742.17  3351.23  8632.70  1214.01  129.622   32.027  143.598   10.484 -13.97612 33.69949 
1 1 1  -36   22   16 o   93.987   10.398  3737.93  780.219  2866.75  2919.41  3804.94  809.669   78.593   31.013   94.718   10.716 -16.12434 32.81260 
1 1 1  -36   22   17 o   61.081   13.343  1663.36  643.215  3182.26  2875.95  1583.39  659.932   78.427   30.834   59.380   13.928 19.04751 33.83427 
1 1 1  -36   22   18 o   27.133   12.168 -184.0851  555.249  890.801  2937.75 -223.9054  565.440   62.378   27.979   26.972   12.171 35.40531 30.51208 
1 1 1  -36   22   19 o   38.322   16.489  197.580  927.319  175.607  3268.02  199.504  967.069   58.245   27.324   38.945   16.798 19.30026 32.07412 
1 1 1  -36   22   20 f   80.571   20.713  3563.12  1362.52  3213.63  3963.65  3609.96  1450.94   65.455   30.504   79.856   21.777 -14.40118 37.47948 
1 1 1  -36   22   21 o   77.039   23.435  3942.38  1596.59  1200.26  4414.35  4355.08  1712.53   54.039   26.775   79.879   24.265 -25.83981 36.13435 
1 1 1  -36   22   22 o   35.135   16.277   29.227  1102.86   0.0000   0.0000   29.227  1102.86  ?   ?    35.135   16.277 0.000000 16.27701 
1 1 1  -36   24    1 o  275.933   17.994 31487.56  4009.40   0.0000   0.0000 31487.56  4009.40  ?   ?   275.933   17.994 0.000000 17.99373 
1 1 1  -36   24    2 o  162.628   15.348 10947.05  2002.72   0.0000   0.0000 10947.05  2002.72  ?   ?   162.628   15.348 0.000000 15.34802 
1 1 1  -36   24    3 o  311.124   19.699 40183.43  4950.62   0.0000   0.0000 40183.43  4950.62  ?   ?   311.124   19.699 0.000000 19.69858 
1 1 1  -36   24    4 o  319.059   16.458 42008.61  4249.07 50983.23  7866.05 38310.94  5049.09  346.370   28.214  303.245   20.629 43.12460 34.95122 
1 1 1  -36   24    5 o  449.156   20.722 83861.93  7557.27 83698.78 13522.04 83936.03  9113.44  434.995   38.688  446.200   25.258 -11.20508 46.20318 
1 1 1  -36   24    6 o   40.113   15.759  389.589  750.685 -2177.6589  1858.42  890.150  820.612   42.358   20.092   48.833   16.942 -6.474937 26.28178 
1 1 1  -36   24    7 f   48.796   21.947 -784.8563  1821.25 -784.8563  1821.25   0.0000   0.0000   48.796   21.947  ?   ?  0.000000 21.94733 
1 1 1  -36   24    8 f   70.001   16.747  2115.90  939.087  3606.53  2284.94  1812.94  1030.11   90.862   28.107   65.043   18.580 25.81914 33.69300 
1 1 1  -36   24    9 o  123.614   14.900  6429.62  1465.40  2636.51  2721.16  7978.94  1739.11   82.924   30.605  137.586   15.858 -54.66235 34.46902 
1 1 1  -36   24   10 o  168.923   14.188 11951.14  1928.03 13911.62  3495.17 11093.65  2311.54  177.035   25.011  161.230   17.962 15.80455 30.79303 
1 1 1  -36   24   11 o  265.166   17.594 29971.85  3766.67 28474.07  6038.89 30925.61  4818.95  246.891   30.793  265.371   22.579 -18.47989 38.18450 
1 1 1  -36   24   12 o  373.857   19.013 60460.79  5752.59 45930.43 11065.84 65841.73  6734.03  279.584   50.609  386.864   21.523 -107.2800 54.99505 
1 1 1  -36   24   13 o  184.768   10.633 14226.93  1588.45 16336.21  4079.92 13850.08  1724.53  185.057   28.030  181.783   11.746 3.273636 30.39186 
1 1 1  -36   24   14 o  132.886   9.6824  7369.35  1037.54  5341.59  3272.34  7595.98  1093.98   99.826   33.858  134.777   10.069 -34.95033 35.32399 
1 1 1  -36   24   15 o  105.394   9.4680  4661.08  801.587 10062.88  3290.57  4320.31  826.484  138.786   30.069  101.174   10.200 37.61178 31.75214 
1 1 1  -36   24   16 o   59.179   12.681  1552.07  590.978 -2405.2180  3324.24  1681.23  600.545   54.594   26.164   61.740   12.410 -7.145359 28.95825 
1 1 1  -36   24   17 o  104.598   11.081  4719.25  926.789  8318.59  3913.10  4505.35  953.930  107.672   37.017  101.809   11.756 5.863075 38.83889 
1 1 1  -36   24   18 o   53.504   20.536  1286.73  1252.09  771.445  3233.20  1377.64  1358.06   60.584   27.997   55.007   21.313 5.577114 35.18621 
1 1 1  -36   24   19 o  103.316   21.835  5854.89  1774.41  8087.25  4763.16  5495.17  1912.03   81.809   36.225   96.412   24.403 -14.60386 43.67751 
1 1 1  -36   24   20 o   46.561   19.986  937.169  1356.21  1148.51  4710.63  918.068  1416.17   55.239   27.420   46.701   20.235 8.538040 34.07774 
1 1 1  -36   24   21 o   45.226   20.064  1101.98  1467.85  5240.75  5204.79  744.364  1529.95   54.028   27.119   43.058   19.661 10.96992 33.49637 
1 1 1  -36   26    1 o  193.687   17.005 15635.50  2647.22   0.0000   0.0000 15635.50  2647.22  ?   ?   193.687   17.005 0.000000 17.00466 
1 1 1  -36   26    2 o  475.174   26.655 96388.86 10242.68   0.0000   0.0000 96388.86 10242.68  ?   ?   475.174   26.655 0.000000 26.65504 
1 1 1  -36   26    3 o  306.411   19.899 39358.25  4924.00   0.0000   0.0000 39358.25  4924.00  ?   ?   306.411   19.899 0.000000 19.89907 
1 1 1  -36   26    4 o  210.311   14.991 18359.32  2543.25 20495.19  5198.91 17687.40  2915.98  215.287   30.603  205.541   17.643 9.745270 35.32416 
1 1 1  -36   26    5 o  362.712   25.042 56519.46  7329.86 57392.39 10283.03 55617.78 10450.98  355.280   36.150  348.273   37.551 7.007446 52.12375 
1 1 1  -36   26    6 o  245.129   15.535 25058.03  3076.06 24684.69  5969.17 25193.02  3589.35  233.490   32.355  244.597   18.203 -11.10750 37.12403 
1 1 1  -36   26    7 o   93.186   16.296  3724.97  1188.12  3613.04  2577.51  3755.17  1338.85   90.698   30.042   92.974   18.386 -2.276031 35.22155 
1 1 1  -36   26    8 o  110.275   16.082  5193.77  1397.64  4662.74  3192.83  5319.65  1554.49  100.526   33.442  111.025   17.848 -10.49879 37.90721 
1 1 1  -36   26    9 o  187.855   16.147 14965.64  2438.99 12693.16  4474.28 15926.40  2909.23  160.727   35.254  192.369   18.868 -31.64230 39.98584 
1 1 1  -36   26   10 o  161.658   16.015 11154.34  2074.50  6964.54  4102.12 12594.07  2404.66  116.021   37.873  171.041   17.564 -55.02049 41.74798 
1 1 1  -36   26   11 o  257.791   17.978 28757.20  3739.58 29017.07  6233.62 28611.10  4674.05  243.236   32.366  252.205   23.080 -8.969315 39.75268 
1 1 1  -36   26   12 o  216.572   11.966 19698.63  2096.02 15486.48  5275.67 20488.13  2284.02  166.393   39.618  220.341   12.822 -53.94768 41.64087 
1 1 1  -36   26   13 o  123.882   9.2164  6399.24  920.422  6929.36  3501.92  6359.90  953.962  111.448   34.849  123.361   9.5995 -11.91317 36.14680 
1 1 1  -36   26   14 o   25.239   10.578   59.524  364.790 -2099.3411  2837.83   95.796  367.842   52.080   24.740   25.975   10.732 26.10530 26.96724 
1 1 1  -36   26   15 o  123.639   9.5948  6447.11  955.683  5942.25  3849.71  6480.26  986.566   95.719   36.182  123.812   9.8962 -28.09325 37.51053 
1 1 1  -36   26   16 o   59.748   13.191  1611.51  622.838 -6212.7910  3517.63  1864.74  632.837   45.939   22.946   64.676   12.503 -18.73653 26.13116 
1 1 1  -36   26   17 o   68.411   22.493  2515.34  1445.89  165.266  3927.83  2883.71  1555.09   61.133   29.059   72.446   23.292 -11.31339 37.24205 
1 1 1  -36   26   18 o   77.574   23.831  3606.64  1645.79  5595.01  4900.76  3353.89  1747.27   72.535   33.842   73.461   24.742 -0.9263535 41.92184 
1 1 1  -36   26   19 o   49.935   21.175  1265.97  1489.70  1711.16  5386.81  1229.10  1550.16   56.853   28.397   49.810   21.373 7.043427 35.54155 
1 1 1  -36   26   20 o   49.722   21.242  1646.53  1519.15 -3627.7549  5982.78  2010.03  1570.63   46.405   23.813   52.581   21.986 -6.176247 32.41036 
1 1 1  -36   28    1 o  141.968   18.563  8602.53  2088.60   0.0000   0.0000  8602.53  2088.60  ?   ?   141.968   18.563 0.000000 18.56322 
1 1 1  -36   28    2 o  269.417   19.737 30839.41  4287.54   0.0000   0.0000 30839.41  4287.54  ?   ?   269.417   19.737 0.000000 19.73686 
1 1 1  -36   28    3 o  105.745   35.998  5109.78  3699.18   0.0000   0.0000  5109.78  3699.18  ?   ?   105.745   35.998 0.000000 35.99825 
1 1 1  -36   28    4 f  220.319   34.380 22772.93  5949.41   0.0000   0.0000 22772.93  5949.41  ?   ?   220.319   34.380 0.000000 34.37956 
1 1 1  -36   28    5 f  243.566   15.931 24962.23  3133.18 30867.78  6480.52 23160.70  3579.32  258.606   31.514  232.795   19.104 25.81076 36.85287 
1 1 1  -36   28    6 o  143.316   15.947  8727.37  1824.26  9828.03  4312.34  8487.46  2013.28  139.987   37.275  140.439   18.075 -0.4521942 41.42658 
1 1 1  -36   28    7 o  297.660   18.288 37924.89  4398.52 43284.55  8380.53 35887.14  5167.47  298.521   35.255  285.849   22.444 12.67206 41.79332 
1 1 1  -36   28    8 o   38.799   16.481   83.319  905.052 -331.9037  2521.46  144.727  969.670   58.962   26.220   40.673   17.156 18.28899 31.33407 
1 1 1  -36   28    9 o   48.676   18.399  798.212  995.445  4640.90  2824.90  253.400  1063.67   97.202   31.408   43.309   18.100 53.89285 36.25001 
1 1 1  -36   28   10 o   32.108   14.593 -430.7437  830.396 -3722.0129  2856.51 -126.9286  867.877   48.532   23.506   35.693   15.646 12.83921 28.23699 
1 1 1  -36   28   11 o   76.372   19.767  2684.82  1235.27 -1103.7200  3376.12  3270.39  1327.30   61.980   28.631   84.374   19.727 -22.39383 34.76892 
1 1 1  -36   28   12 o  119.199   17.904  6381.90  1679.32  3885.99  3928.12  6940.08  1857.63   87.609   35.496  123.583   19.131 -35.97354 40.32311 
1 1 1  -36   28   13 o   85.590   9.1958  3087.78  629.059  4977.98  3602.68  3028.34  638.874   91.963   34.944   84.666   9.4547 7.296249 36.20033 
1 1 1  -36   28   14 o   36.372   11.819  555.159  399.686 -453.1323  3716.98  566.953  402.017   62.779   29.351   36.681   11.848 26.09747 31.65231 
1 1 1  -36   28   15 f   35.755   12.431  517.679  441.900 -3170.7019  4531.95  553.084  444.016   58.008   28.425   36.563   12.472 21.44518 31.04075 
1 1 1  -36   28   16 o   68.499   20.856  2473.39  1264.09 -3758.6799  4483.89  3011.46  1317.53   54.067   26.823   75.700   20.796 -21.63322 33.94063 
1 1 1  -36   28   17 o   46.533   20.101  676.873  1389.04 -2736.0249  4670.29  1008.07  1454.87   53.228   26.564   49.733   20.998 3.495010 33.86079 
1 1 1  -36   28   18 o   50.740   21.556  1377.21  1548.68 -327.7808  5234.00  1540.80  1621.28   53.451   26.879   52.168   22.104 1.283142 34.80026 
1 1 1  -36   30    1 o  248.762   20.805 26826.28  4163.68   0.0000   0.0000 26826.28  4163.68  ?   ?   248.762   20.805 0.000000 20.80465 
1 1 1  -36   30    2 o  127.980   20.952  7223.02  2101.90   0.0000   0.0000  7223.02  2101.90  ?   ?   127.980   20.952 0.000000 20.95217 
1 1 1  -36   30    3 o   41.071   17.689  -9.9870  1069.14   0.0000   0.0000  -9.9870  1069.14  ?   ?    41.071   17.689 0.000000 17.68892 
1 1 1  -36   30    4 o  161.044   19.329 11286.51  2477.02   0.0000   0.0000 11286.51  2477.02  ?   ?   161.044   19.329 0.000000 19.32910 
1 1 1  -36   30    5 o  321.459   20.055 44966.20  5208.63 50928.52 10737.56 43131.50  5956.35  306.007   44.521  310.631   23.796 -4.624054 50.48124 
1 1 1  -36   30    6 o   57.836   19.878  1374.12  1128.39  4469.34  3523.17  1020.34  1191.13   96.269   34.932   53.769   20.168 42.50036 40.33573 
1 1 1  -36   30    7 o  158.337   18.490 10986.42  2332.40  7353.65  5783.85 11691.90  2548.84  113.438   43.975  162.609   19.707 -49.17146 48.18845 
1 1 1  -36   30    8 o   61.036   20.298  1612.94  1176.30 -3107.4260  4013.10  2056.62  1230.34   61.382   29.233   67.494   20.581 -6.111343 35.75152 
1 1 1  -36   30    9 o  144.293   19.298  9332.56  2204.39  6385.03  5391.44  9924.21  2415.52  104.299   41.821  147.859   20.686 -43.55923 46.65722 
1 1 1  -36   30   10 o   95.193   20.967  4243.61  1576.83 -514.6845  4286.72  4988.18  1695.72   69.665   32.209  103.455   20.906 -33.78965 38.39898 
1 1 1  -36   30   11 o   32.722   15.197 -696.1953  970.063 -5553.6309  3908.66 -377.3642  1001.39   52.397   25.818   35.717   16.150 16.67997 30.45292 
1 1 1  -36   30   12 o   68.882   21.814  2305.71  1367.89 -2706.5791  5057.58  2701.30  1420.84   64.805   31.361   74.066   22.013 -9.261101 38.31562 
1 1 1  -36   30   13 o   14.327   6.9863 -471.4200  264.085 -4184.0718  4144.29 -456.2830  264.623   54.637   26.856   14.486   7.0482 40.15052 27.76523 
1 1 1  -36   30   14 o   53.638   20.872  1240.89  1306.79 -495.7564  4513.02  1399.83  1365.28   62.684   30.157   55.668   21.425 7.015884 36.99276 
1 1 1  -36   30   15 o   67.095   23.029  2540.98  1514.20  2472.59  5095.94  2547.60  1585.82   67.188   32.251   66.838   23.530 0.3495483 39.92266 
1 1 1  -36   30   16 o  119.106   24.860  8583.16  2326.52  9456.06  7317.22  8484.99  2453.86   71.044   35.066  114.985   26.781 -43.94113 44.12352 
1 1 1  -36   30   17 f   90.381   26.752  6056.00  2101.57  3597.27  6752.62  6319.69  2211.40   57.105   28.931   90.543   27.589 -33.43822 39.97665 
1 1 1  -36   32    1 o   99.898   25.304  4699.66  2054.77   0.0000   0.0000  4699.66  2054.77  ?   ?    99.898   25.304 0.000000 25.30379 
1 1 1  -36   32    2 f  109.172   24.286  5554.87  2097.24   0.0000   0.0000  5554.87  2097.24  ?   ?   109.172   24.286 0.000000 24.28603 
1 1 1  -36   32    3 o  102.996   24.107  4965.85  1980.39   0.0000   0.0000  4965.85  1980.39  ?   ?   102.996   24.107 0.000000 24.10695 
1 1 1  -36   32    4 o   91.263   24.173  3931.00  1819.73   0.0000   0.0000  3931.00  1819.73  ?   ?    91.263   24.173 0.000000 24.17287 
1 1 1  -36   32    5 o  104.276   23.728  5122.54  1963.84   0.0000   0.0000  5122.54  1963.84  ?   ?   104.276   23.728 0.000000 23.72838 
1 1 1  -36   32    6 o  125.222   21.382  7194.87  2095.98 17497.89  6624.57  6048.74  2209.49  163.118   47.275  112.349   24.877 50.76928 53.42101 
1 1 1  -36   32    7 o   38.192   17.656 -817.3611  1287.45  4875.67  5213.65 -1187.0580  1328.59   95.473   40.000   36.765   17.302 58.70738 43.58147 
1 1 1  -36   32    8 o  212.073   19.451 20352.00  3312.12 24984.21  8096.94 19421.14  3629.69  179.978   52.295  203.973   22.278 -23.99448 56.84292 
1 1 1  -36   32    9 o  229.454   19.501 24080.39  3598.78 39788.17  8592.49 20738.80  3963.13  245.545   44.746  207.087   24.015 38.45784 50.78310 
1 1 1  -36   32   10 o  179.486   21.718 15409.86  3100.72 19876.15  7692.37 14543.38  3388.17  142.326   51.620  169.984   25.321 -27.65862 57.49597 
1 1 1  -36   32   11 o   51.856   20.991  919.886  1372.29 -1133.4399  6418.45  1018.24  1404.77   71.068   34.607   53.106   21.328 17.96218 40.65176 
1 1 1  -36   32   12 o  118.640   22.986  7273.60  2134.35  6930.38  6793.11  7311.19  2248.21   84.717   39.631  117.338   24.393 -32.62146 46.53587 
1 1 1  -36   32   13 o  162.565   23.388 14163.11  2998.28  8118.79  8045.59 15137.89  3231.02   78.919   38.500  165.797   24.759 -86.87798 45.77403 
1 1 1  -36   32   14 f  125.582   24.862  9230.49  2445.44  1884.23  7557.78 10089.55  2584.47   64.560   32.443  130.805   25.248 -66.24560 41.10950 
1 1 1  -36   32   15 f   51.666   21.658  1398.28  1529.99 -4447.0410  6593.41  1730.94  1572.93   52.781   26.917   54.623   22.337 -1.842354 34.97809 
1 1 1  -36   32   16 o   44.167   20.139  644.626  1597.87  4032.83  6847.19  449.487  1643.24   55.002   27.993   43.283   19.987 11.71810 34.39571 
1 1 1  -36   34    1 o   82.128   28.380  3281.02  2301.44   0.0000   0.0000  3281.02  2301.44  ?   ?    82.128   28.380 0.000000 28.37963 
1 1 1  -36   34    2 o  128.983   27.557  8258.33  2798.49   0.0000   0.0000  8258.33  2798.49  ?   ?   128.983   27.557 0.000000 27.55746 
1 1 1  -36   34    3 o   35.038   16.532 -1162.9640  1227.06   0.0000   0.0000 -1162.9640  1227.06  ?   ?    35.038   16.532 0.000000 16.53171 
1 1 1  -36   34    4 o   63.686   24.942  1560.16  1875.41   0.0000   0.0000  1560.16  1875.41  ?   ?    63.686   24.942 0.000000 24.94191 
1 1 1  -36   34    5 o  103.925   26.785  5502.78  2274.49   0.0000   0.0000  5502.78  2274.49  ?   ?   103.925   26.785 0.000000 26.78542 
1 1 1  -36   34    6 o  118.563   25.025  7003.40  2333.44  9597.96  8933.52  6813.42  2417.36  103.754   47.428  115.723   26.321 -11.96896 54.24215 
1 1 1  -36   34    7 f   54.941   22.356  981.461  1565.91  1752.74  6849.88  938.932  1608.50   81.591   38.665   54.940   22.541 26.65088 44.75552 
1 1 1  -36   34    8 o  202.662   22.403 20025.06  3624.95 23284.16  9651.02 19489.76  3911.33  130.037   54.447  195.829   25.182 -65.79211 59.98874 
1 1 1  -36   34    9 o   60.366   23.696  1614.18  1695.90 14116.38  7411.09  923.330  1742.13  108.612   46.672   54.687   23.028 53.92518 52.04401 
1 1 1  -36   34   10 o  126.835   25.083  8675.28  2491.70 19537.47  8749.69  7716.65  2599.33  108.104   48.403  115.500   28.006 -7.395889 55.92094 
1 1 1  -36   34   11 o   64.058   24.402  2251.77  1759.60  4708.53  7984.66  2126.36  1803.95   73.697   36.424   62.860   24.505 10.83775 43.89989 
1 1 1  -36   34   12 f   81.966   26.522  4358.96  2013.75 -2486.5540  9718.31  4666.06  2058.43   62.975   32.164   84.732   26.751 -21.75726 41.83524 
1 1 1  -36   34   13 o   45.666   20.505  494.758  1582.04  2342.86  9775.77  445.055  1603.17   61.065   31.273   45.503   20.517 15.56237 37.40218 
1 1 1  -36   34   14 o   49.305   21.738  1250.40  1697.31  2065.32  9059.23  1220.75  1727.91   55.593   28.570   49.185   21.797 6.407806 35.93501 
1 1 1  -36   36    1 o  105.510   30.831  6289.81  2807.26   0.0000   0.0000  6289.81  2807.26  ?   ?   105.510   30.831 0.000000 30.83119 
1 1 1  -36   36    2 o  126.441   32.030  9131.76  3292.12   0.0000   0.0000  9131.76  3292.12  ?   ?   126.441   32.030 0.000000 32.02980 
1 1 1  -36   36    3 o   60.318   25.776  1038.47  2237.92   0.0000   0.0000  1038.47  2237.92  ?   ?    60.318   25.776 0.000000 25.77578 
1 1 1  -36   36    4 o   97.376   29.814  5453.93  2578.50   0.0000   0.0000  5453.93  2578.50  ?   ?    97.376   29.814 0.000000 29.81413 
1 1 1  -36   36    5 o   48.709   22.238 -345.0723  1956.16   0.0000   0.0000 -345.0723  1956.16  ?   ?    48.709   22.238 0.000000 22.23786 
1 1 1  -36   36    6 o  102.091   29.539  6190.28  2588.33   0.0000   0.0000  6190.28  2588.33  ?   ?   102.091   29.539 0.000000 29.53945 
1 1 1  -36   36    7 o  110.529   29.401  7353.98  2684.56 20467.57 11946.74  6656.60  2755.02   94.604   46.314  102.651   30.686 -8.046242 55.55746 
1 1 1  -36   36    8 o   89.228   27.983  4943.72  2256.17 21169.87 11172.49  4253.90  2303.62   91.701   44.871   81.816   28.386 9.884842 53.09568 
1 1 1  -36   36    9 o   48.593   21.643  454.299  1724.95  7997.09  9292.81  185.135  1755.46   74.181   37.089   47.181   21.353 27.00010 42.79636 
1 1 1  -36   36   10 o   78.319   27.737  4327.97  2206.72 -6336.7759 12165.27  4690.82  2243.94   61.378   31.605   81.426   28.029 -20.04765 42.24344 
1 1 1  -36   36   11 o   37.732   18.215 -1214.6860  1680.57 -4012.2529 10735.37 -1144.4050  1701.55   57.644   29.682   38.233   18.425 19.41122 34.93561 
1 1 1  -36   38    1 o   90.308   33.755  5979.24  3330.91   0.0000   0.0000  5979.24  3330.91  ?   ?    90.308   33.755 0.000000 33.75486 
1 1 1  -36   38    2 o   84.940   32.401  5129.93  3104.86   0.0000   0.0000  5129.93  3104.86  ?   ?    84.940   32.401 0.000000 32.40050 
1 1 1  -36   38    3 o   79.331   31.714  4453.06  3090.18   0.0000   0.0000  4453.06  3090.18  ?   ?    79.331   31.714 0.000000 31.71373 
1 1 1  -36   38    4 o   60.584   26.722  1546.75  2567.16   0.0000   0.0000  1546.75  2567.16  ?   ?    60.584   26.722 0.000000 26.72164 
1 1 1  -36   38    5 o   53.504   24.664  372.066  2486.32   0.0000   0.0000  372.066  2486.32  ?   ?    53.504   24.664 0.000000 24.66406 
1 1 1  -36   38    6 o   67.099   28.691  3056.09  2775.78   0.0000   0.0000  3056.09  2775.78  ?   ?    67.099   28.691 0.000000 28.69081 
1 1 1  -36   38    7 o   70.426   29.335  3920.58  2781.00   0.0000   0.0000  3920.58  2781.00  ?   ?    70.426   29.335 0.000000 29.33510 
1 1 1  -36   38    8 o   48.633   21.980  708.115  1852.34 -2392.2361 15517.59  752.932  1865.69   60.178   31.183   48.966   22.101 11.21188 38.22042 
1 1 1  -35    1    1 o  912.970   44.135 342222.41 32717.15 336722.31 46275.54 347719.41 46262.54  898.023   63.880  913.058   62.783 -15.03485 89.56763 
1 1 1  -35    1    3 o  456.222   31.653 85415.14 11652.92 85415.14 11652.92   0.0000   0.0000  456.222   31.653  ?   ?  0.000000 31.65300 
1 1 1  -35    1    4 o  352.541   17.462 50554.64  4998.63 47431.55  7090.37 53640.58  7048.07  340.117   25.868  362.033   24.114 -21.91541 35.36494 
1 1 1  -35    1    5 o  776.457   37.413 247073.59 23587.13 238244.80 33388.09 255869.91 33326.45  756.591   54.718  784.924   52.595 -28.33258 75.89650 
1 1 1  -35    1    6 o  811.389   32.153 269377.91 21182.84 226560.70 36739.77 290699.31 25925.95  733.915   62.239  841.604   37.939 -107.6883 72.89109 
1 1 1  -35    1    7 o  987.827   46.387 404060.69 37206.58 451973.69 52671.98 356343.31 52564.30  1034.55   63.003  913.110   71.467 121.4438 95.27333 
1 1 1  -35    1    8 o  114.894   5.6616  5361.38  528.166  6206.81  750.407  4531.39  743.520  123.373   7.5270  105.232   8.7820 18.14080 11.56630 
1 1 1  -35    1    9 f  202.781   7.6328 16710.89  1256.75 16290.52  1777.21 17131.35  1777.43  199.806   10.997  204.938   10.719 -5.132324 15.35645 
1 1 1  -35    1   10 o  371.683   12.929 56295.93  3901.98 56113.58  5518.18 56478.27  5518.28  370.381   18.349  371.591   18.289 -1.210602 25.90720 
1 1 1  -35    1   11 o  246.490   10.799 24741.80  2161.28 23822.27  3794.02 25183.53  2629.65  240.253   19.620  248.163   13.097 -7.909821 23.58971 
1 1 1  -35    1   12 o  518.360   18.149 110164.80  7638.82 113115.40 10800.48 107211.60 10805.37  522.792   25.443  508.008   26.286 14.78400 36.58289 
1 1 1  -35    1   13 o  212.253   8.3177 18334.48  1433.50 18769.54  2020.84 17893.84  2033.76  214.194   11.663  209.070   12.031 5.123322 16.75658 
1 1 1  -35    1   14 o  285.843   10.540 33324.25  2446.38 32924.95  3454.04 33726.17  3465.40  283.056   15.083  286.520   14.948 -3.463226 21.23493 
1 1 1  -35    1   15 o  251.648   9.7854 25831.70  1999.45 25385.89  2820.52 26282.05  2834.83  248.463   14.038  252.864   13.860 -4.401001 19.72730 
1 1 1  -35    1   16 o  243.340   9.4111 24168.53  1859.47 23152.23  2619.96 25200.08  2639.54  237.090   13.667  247.507   13.182 -10.41667 18.98826 
1 1 1  -35    1   17 f   14.215   6.7553 -268.4599  212.012 -320.3399  291.507 -210.2003  308.911   17.200   8.0977   19.295   8.8199 -2.095070 11.97346 
1 1 1  -35    1   18 o   56.351   7.8093  1322.75  347.709  1275.03  468.359  1381.35  519.000   54.716   10.925   56.873   11.631 -2.157341 15.95720 
1 1 1  -35    1   19 o  246.256   9.4674 25002.82  1893.02 24575.65  2674.69 25431.54  2679.58  241.790   13.680  246.109   13.460 -4.319077 19.19153 
1 1 1  -35    1   20 o  180.605   8.1040 13442.50  1188.41 13472.18  1674.66 13412.39  1686.73  179.085   11.579  178.626   11.694 0.4591217 16.45658 
1 1 1  -35    1   21 o  154.867   8.0758  9951.22  1011.99 10211.71  1418.90  9681.51  1443.77  155.293   11.331  150.881   11.881 4.412186 16.41804 
1 1 1  -35    1   22 o   36.650   11.795  566.679  398.702  531.615  503.274  625.775  653.355   37.056   13.233   40.709   15.001 -3.652782 20.00380 
1 1 1  -35    1   23 o  122.664   7.9799  6328.37  790.474  6257.90  1084.30  6408.31  1154.83  119.953   11.265  120.928   11.916 -0.9752731 16.39766 
1 1 1  -35    1   24 o   54.296   11.017  1333.12  469.118  1037.48  627.881  1706.69  705.799   46.745   14.776   59.548   14.689 -12.80286 20.83500 
1 1 1  -35    1   25 o   44.649   12.520  964.157  472.215  1283.53  688.826  680.984  648.613   49.814   15.436   39.058   14.830 10.75534 21.40586 
1 1 1  -35    1   26 o   39.380   14.658  811.328  626.843   0.0000   0.0000  811.328  626.843  ?   ?    39.380   14.658 0.000000 14.65812 
1 1 1  -35    3    1 o  152.077   9.7406  9432.98  1196.45 10840.70  1421.06  6005.39  2217.43  162.996   10.799  119.346   23.718 43.65031 26.06081 
1 1 1  -35    3    2 o  703.208   48.501 204487.59 27523.73 204487.59 27523.73   0.0000   0.0000  703.208   48.501  ?   ?  0.000000 48.50074 
1 1 1  -35    3    3 o  472.470   32.960 91664.33 12565.40 91664.33 12565.40   0.0000   0.0000  472.470   32.960  ?   ?  0.000000 32.96043 
1 1 1  -35    3    4 o  959.524   66.834 386185.50 51745.70 386185.50 51745.70   0.0000   0.0000  959.524   66.834  ?   ?  0.000000 66.83446 
1 1 1  -35    3    5 o  679.713   26.707 188497.50 14739.67 181613.91 25606.25 191908.59 18025.50  661.915   47.969  685.038   32.407 -23.12311 57.88984 
1 1 1  -35    3    6 o  161.936   9.4056 10689.72  1231.38 11211.25  1791.69 10222.86  1695.19  165.514   13.448  158.011   13.337 7.503098 18.94037 
1 1 1  -35    3    7 o  348.296   14.195 49348.59  4014.39 46319.92  7018.23 50821.36  4894.06  335.672   25.951  353.299   17.060 -17.62689 31.05695 
1 1 1  -35    3    8 o   90.626   7.3607  3358.84  536.963   0.0000   0.0000  3358.84  536.963  ?   ?    90.626   7.3607 0.000000 7.360721 
1 1 1  -35    3    9 o  214.032   9.5308 18628.58  1656.32 17500.13  2932.73 19157.09  2007.06  206.291   17.680  216.667   11.449 -10.37691 21.06297 
1 1 1  -35    3   10 o  170.558   7.4388 11825.11  1030.18 13731.68  1455.66  9912.09  1458.12  183.447   9.8082  155.580   11.627 27.86697 15.21110 
1 1 1  -35    3   11 o  145.082   6.5595  8555.24  772.723  9026.12  1082.23  8065.52  1103.67  148.675   9.0074  140.437   9.7389 8.237625 13.26575 
1 1 1  -35    3   12 f  502.428   17.571 103450.10  7168.27 104979.20 10128.29 101915.50 10146.66  503.816   24.759  495.605   25.299 8.210144 35.39790 
1 1 1  -35    3   13 o  549.051   18.590 123894.30  8287.65 120826.40 11707.80 126975.50 11733.24  538.704   26.766  552.554   26.152 -13.85004 37.42134 
1 1 1  -35    3   14 o  500.722   17.533 103110.10  7128.56 97293.62 10068.33 108956.60 10094.34  482.176   25.810  511.717   24.295 -29.54047 35.44566 
1 1 1  -35    3   15 o  300.604   11.181 36917.16  2729.16 36903.60  3844.57 36930.93  3874.84  299.192   15.882  299.269   16.004 -0.7662964E-01 22.54735 
1 1 1  -35    3   16 o  226.918   9.1174 21012.04  1679.88 19935.11  2357.73 22122.47  2394.11  220.016   13.260  231.930   12.762 -11.91405 18.40361 
1 1 1  -35    3   17 o  152.604   7.2590  9495.89  899.459  9044.52  1256.42  9970.40  1288.23  148.219   10.508  155.707   10.247 -7.487976 14.67681 
1 1 1  -35    3   18 o   67.569   7.2959  1887.06  393.926  1626.38  507.361  2282.73  625.068   62.062   10.439   73.718   10.760 -11.65549 14.99137 
1 1 1  -35    3   19 o   46.001   9.5219  904.104  343.939  672.261  444.318  1250.72  543.274   40.126   12.391   53.705   12.664 -13.57905 17.71815 
1 1 1  -35    3   20 o  187.000   8.2591 14423.85  1254.05 14096.35  1735.18 14781.97  1814.45  183.065   11.735  187.338   11.991 -4.272964 16.77823 
1 1 1  -35    3   21 o  219.465   9.2955 20065.59  1656.44 19981.27  2305.27 20155.60  2381.73  215.875   13.215  216.463   13.620 -0.5881348 18.97787 
1 1 1  -35    3   22 o  133.294   8.0144  7418.48  863.368  6443.23  1177.08  8554.12  1270.20  122.089   12.030  141.388   11.155 -19.29852 16.40599 
1 1 1  -35    3   23 o   33.245   11.548  445.777  381.339  126.980  472.458  1041.67  645.938   28.903   12.069   47.671   14.977 -18.76857 19.23473 
1 1 1  -35    3   24 o   56.213   10.554  1417.48  464.019  1347.67  571.286  1552.84  795.466   53.483   13.229   55.776   16.444 -2.292866 21.10494 
1 1 1  -35    3   25 o   71.795   10.159  2336.00  575.662  1690.81  754.502  3234.79  890.518   56.740   15.795   81.178   14.017 -24.43837 21.11804 
1 1 1  -35    3   26 o   50.924   16.850  1573.09  810.941   0.0000   0.0000  1573.09  810.941  ?   ?    50.924   16.850 0.000000 16.84986 
1 1 1  -35    5    1 o  195.104   11.862 15523.99  1870.22 16945.23  2511.04 13753.38  2802.73  203.586   15.302  182.862   19.161 20.72342 24.52151 
1 1 1  -35    5    2 o  188.653   15.249 14563.68  2315.94 14563.68  2315.94   0.0000   0.0000  188.653   15.249  ?   ?  0.000000 15.24945 
1 1 1  -35    5    3 o  1029.40   71.955 446279.81 59764.14 446279.81 59764.14   0.0000   0.0000  1029.40   71.955  ?   ?  0.000000 71.95483 
1 1 1  -35    5    4 o  576.112   29.181 135865.70 13605.77 108431.90 19296.51 162988.59 19186.90  510.927   47.042  629.496   37.712 -118.5687 60.29225 
1 1 1  -35    5    5 o  333.586   16.649 45271.63  4509.69 45412.99  6421.97 45134.09  6334.28  332.891   23.918  331.897   23.660 0.9939880 33.64323 
1 1 1  -35    5    6 o  537.904   21.157 117933.70  9240.57 119220.20 16071.40 117298.40 11294.12  537.410   37.057  535.919   25.955 1.491028 45.24238 
1 1 1  -35    5    7 o  651.773   27.224 173927.20 14407.34 110297.80 25012.28 205521.20 17624.90  506.923   62.064  707.702   30.672 -200.7789 69.22941 
1 1 1  -35    5    8 o  210.445   11.433 18068.50  1946.21   0.0000   0.0000 18068.50  1946.21  ?   ?   210.445   11.433 0.000000 11.43261 
1 1 1  -35    5    9 o  161.853   7.8417 10648.37  1030.55 13301.36  1853.61  9461.44  1239.83  180.268   12.746  152.172   10.092 28.09532 16.25728 
1 1 1  -35    5   10 o  433.594   17.420 76888.54  6132.96 80286.32 10669.51 75211.91  7494.88  438.929   30.119  427.458   21.665 11.47055 37.10182 
1 1 1  -35    5   11 o  183.507   8.5969 13699.14  1280.95 17199.09  2262.40 12047.77  1554.04  204.849   13.681  171.607   11.215 33.24203 17.68968 
1 1 1  -35    5   12 o  216.622   9.1549 19101.36  1610.27 19778.30  1961.47 17702.07  2820.07  220.301   10.965  207.208   16.909 13.09303 20.15332 
1 1 1  -35    5   13 o   93.341   5.9015  3555.84  444.975  3430.41  603.794  3704.94  658.315   91.441   8.2201   95.011   8.6275 -3.569572 11.91649 
1 1 1  -35    5   14 o  535.956   18.160 118300.50  7902.99 117252.30 11162.90 119353.80 11190.19  529.663   25.956  534.489   25.785 -4.826111 36.58636 
1 1 1  -35    5   15 o  321.427   11.362 42227.11  2965.46 41311.19  4176.39 43158.45  4211.42  316.397   16.312  323.884   16.014 -7.486694 22.85902 
1 1 1  -35    5   16 o  354.242   12.871 51491.54  3702.01 49563.48  5213.98 53451.64  5257.14  345.061   18.679  358.637   18.112 -13.57565 26.01824 
1 1 1  -35    5   17 o  170.501   7.5909 11862.50  1050.90 12695.63  1468.06 10986.89  1505.02  175.711   10.335  163.178   11.431 12.53313 15.41075 
1 1 1  -35    5   18 f   69.146   7.1481  1974.67  395.529  2131.90  504.252  1723.23  637.673   71.563   8.8679   63.376   12.832 8.187340 15.59801 
1 1 1  -35    5   19 o  197.790   8.3730 16090.57  1344.69 15334.72  1871.08 16897.98  1933.84  191.396   12.102  201.048   11.899 -9.651276 16.97215 
1 1 1  -35    5   20 o   49.913   8.7622  1058.91  342.159  1045.53  421.084  1084.91  587.029   49.137   10.845   49.777   13.959 -0.6399040 17.67689 
1 1 1  -35    5   21 o  152.924   8.1809  9719.06  1012.14  9986.45  1404.46  9430.14  1459.91  153.400   11.356  148.545   12.212 4.854736 16.67649 
1 1 1  -35    5   22 o  252.444   10.195 26959.23  2089.65 26382.39  2935.87 27551.53  2974.95  243.881   14.897  249.441   14.754 -5.559296 20.96688 
1 1 1  -35    5   23 o  101.753   7.9444  4367.98  651.163  4344.62  847.368  4401.66  1017.59  100.047   10.592   99.190   12.943 0.8565750 16.72493 
1 1 1  -35    5   24 o   36.660   11.641  602.271  389.383  750.068  450.253  163.818  775.507   40.394   12.474   34.761   15.018 5.632645 19.52261 
1 1 1  -35    5   25 o  104.182   9.4490  4839.85  790.616  4717.06  1015.35  5028.95  1260.06   99.194   12.913   98.194   16.381 1.000099 20.85853 
1 1 1  -35    5   26 o   78.597   20.077  4113.72  1285.89   0.0000   0.0000  4113.72  1285.89  ?   ?    78.597   20.077 0.000000 20.07684 
1 1 1  -35    7    1 o  146.113   15.690  8780.76  1832.33   0.0000   0.0000  8780.76  1832.33  ?   ?   146.113   15.690 0.000000 15.69028 
1 1 1  -35    7    3 o  274.023   13.617 30524.27  3029.83 36887.93  4328.53 24411.25  4242.43  300.573   17.815  243.860   21.651 56.71277 28.03830 
1 1 1  -35    7    4 o  1285.74   92.484 718025.12 95906.74 718025.12 95906.74   0.0000   0.0000  1285.74   92.484  ?   ?  0.000000 92.48432 
1 1 1  -35    7    5 o  229.504   12.339 21474.26  2290.85 21619.29  3255.48 21332.00  3224.24  229.784   17.582  228.250   17.531 1.534073 24.82861 
1 1 1  -35    7    6 o  278.955   14.441 31748.11  3259.77 32495.57  4624.82 31010.15  4595.35  281.556   20.367  274.961   20.736 6.594696 29.06527 
1 1 1  -35    7    7 o  385.425   16.132 60529.71  5048.68 46487.88  8803.45 67411.14  6162.83  334.336   32.853  406.494   18.672 -72.15805 37.78851 
1 1 1  -35    7    8 f  311.030   15.887 39554.81  3998.82   0.0000   0.0000 39554.81  3998.82  ?   ?   311.030   15.887 0.000000 15.88701 
1 1 1  -35    7    9 o  425.337   17.499 73949.66  6043.54 71859.35 10530.12 74976.40  7380.03  415.031   31.482  427.590   21.257 -12.55862 37.98622 
1 1 1  -35    7   10 o  283.675   11.784 32785.92  2714.34 40212.88  4767.82 29224.53  3301.60  312.753   18.863  267.075   15.288 45.67792 24.28082 
1 1 1  -35    7   11 o  591.478   23.343 144271.00 11210.84 171440.09 19475.44 130806.70 13710.16  635.766   37.899  559.491   30.292 76.27539 48.51768 
1 1 1  -35    7   12 o  435.592   21.609 78230.88  7642.98 81037.98 10858.93 75475.00 10759.36  438.980   30.658  423.150   31.542 15.82971 43.98600 
1 1 1  -35    7   13 o   57.293   8.8759  1368.03  399.555  1171.39  815.235  1430.20  458.383   53.680   16.819   58.425   10.024 -4.744686 19.57927 
1 1 1  -35    7   14 o  145.522   8.2677  8652.07  972.875  6735.24  1784.78  9462.39  1160.43  126.688   17.845  152.065   9.4450 -25.37739 20.19035 
1 1 1  -35    7   15 o  262.983   9.8644 28228.38  2106.39 28590.51  2963.23 27858.49  2994.78  263.620   13.893  260.130   14.233 3.489838 19.88903 
1 1 1  -35    7   16 o  397.921   14.115 65179.18  4560.69 65678.68  6436.03 64675.39  6463.63  396.208   20.071  393.016   20.324 3.191864 28.56458 
1 1 1  -35    7   17 o  209.417   8.3544 17927.38  1420.57 17196.10  1978.67 18705.27  2040.75  204.023   11.997  212.858   11.855 -8.835297 16.86593 
1 1 1  -35    7   18 f   97.621   6.5595  3910.49  516.917  3680.39  668.771  4251.97  814.703   94.276   8.8398  101.118   10.056 -6.842072 13.38912 
1 1 1  -35    7   19 o  283.690   9.9725 33321.52  2297.13 32720.35  3239.14 33929.79  3258.22  277.874   14.406  283.484   14.155 -5.610016 20.19639 
1 1 1  -35    7   20 o  170.229   7.9828 11957.60  1103.39 11657.47  1553.22 12263.36  1567.72  166.245   11.579  170.636   11.380 -4.391037 16.23536 
1 1 1  -35    7   21 o  133.362   8.0238  7398.52  864.814  8301.37  1129.42  6118.87  1344.60  140.393   9.9725  118.165   14.306 22.22806 17.43841 
1 1 1  -35    7   22 o   43.721   9.1362  831.150  313.888  1176.40  352.981 -473.6759  686.212   52.392   8.5957   27.717   12.840 24.67470 15.45172 
1 1 1  -35    7   23 o   79.860   8.5740  2722.95  547.273  2481.75  684.116  3151.65  912.062   74.695   11.661   82.831   14.064 -8.135796 18.26931 
1 1 1  -35    7   24 o   45.341   11.961  959.696  446.725  1078.22  519.170  621.677  876.763   47.628   13.042   41.144   16.734 6.484066 21.21571 
1 1 1  -35    7   25 o   81.052   9.1752  2939.68  593.197  2602.48  702.854  3774.55  1105.95   73.769   12.158   83.687   16.858 -9.918297 20.78502 
1 1 1  -35    9    1 o  731.880   51.591 222980.80 30462.41   0.0000   0.0000 222980.80 30462.41  ?   ?   731.880   51.591 0.000000 51.59111 
1 1 1  -35    9    2 o  343.191   18.574 48088.21  5156.52 54369.47  7194.40 41452.52  7394.58  364.268   24.466  317.166   29.036 47.10226 37.96933 
1 1 1  -35    9    5 o  416.199   29.514 71379.59  9909.19   0.0000   0.0000 71379.59  9909.19  ?   ?   416.199   29.514 0.000000 29.51378 
1 1 1  -35    9    6 o  183.644   15.209 13830.08  2247.42   0.0000   0.0000 13830.08  2247.42  ?   ?   183.644   15.209 0.000000 15.20886 
1 1 1  -35    9    7 o  117.296   12.594  5665.17  1180.65   0.0000   0.0000  5665.17  1180.65  ?   ?   117.296   12.594 0.000000 12.59365 
1 1 1  -35    9    8 o  324.111   16.581 43008.10  4349.03   0.0000   0.0000 43008.10  4349.03  ?   ?   324.111   16.581 0.000000 16.58121 
1 1 1  -35    9    9 o  559.721   22.563 128765.90 10254.47 135969.70 17846.39 125215.10 12529.33  567.125   38.992  549.394   28.182 17.73132 48.11058 
1 1 1  -35    9   10 o  616.650   25.216 157055.80 12625.67 169509.00 21950.71 150899.00 15434.33  629.060   43.238  600.683   31.758 28.37640 53.64756 
1 1 1  -35    9   11 o  627.633   24.906 163003.91 12692.53 185237.59 22068.03 152013.20 15515.70  656.978   41.583  601.737   31.870 55.24109 52.39133 
1 1 1  -35    9   12 o   86.101   7.2986  3037.02  505.454  2254.99  1011.92  3297.00  583.452   72.699   17.379   89.648   8.1030 -16.94894 19.17495 
1 1 1  -35    9   13 o  260.997   11.435 27807.04  2423.28 27381.16  4294.60 28005.97  2935.20  256.589   20.792  261.232   13.888 -4.642609 25.00362 
1 1 1  -35    9   14 f  317.256   13.447 41228.33  3464.05 40735.15  6104.31 41462.59  4207.06  311.364   24.339  317.066   16.398 -5.702271 29.34711 
1 1 1  -35    9   15 o  195.567   9.5123 15611.42  1510.50 15424.38  2725.64 15694.33  1814.64  192.371   17.646  195.517   11.481 -3.145508 21.05255 
1 1 1  -35    9   16 o  222.305   10.529 20238.59  1900.57 19771.28  3425.10 20446.49  2284.56  216.591   19.691  222.662   12.689 -6.071381 23.42514 
1 1 1  -35    9   17 o  282.255   12.629 32935.79  2894.30 31667.42  5156.32 33519.24  3497.20  269.831   23.778  283.198   15.265 -13.36719 28.25608 
1 1 1  -35    9   18 o  263.574   12.082 28879.30  2585.72 30613.05  4701.27 28127.36  3096.07  263.467   22.182  258.220   14.829 5.246399 26.68253 
1 1 1  -35    9   19 o   67.817   12.289  1981.77  651.768  934.007  1592.89  2192.46  714.300   56.676   22.730   71.254   12.818 -14.57747 26.09443 
1 1 1  -35    9   20 o  181.600   8.4817 13655.42  1250.66 13918.68  1747.29 13378.84  1790.92  181.271   11.938  177.343   12.518 3.928085 17.29767 
1 1 1  -35    9   21 o   56.766   9.1644  1377.79  408.015  1491.32  459.672  956.102  885.881   58.854   9.9754   48.488   17.528 10.36577 20.16793 
1 1 1  -35    9   22 o   80.953   8.2684  2769.30  535.865  2884.43  668.489  2562.32  896.314   81.784   10.295   74.488   15.331 7.296455 18.46658 
1 1 1  -35    9   23 o   81.569   8.0524  2831.30  526.358  1964.15  632.206  4790.37  950.250   65.789   12.287  104.094   11.431 -38.30510 16.78185 
1 1 1  -35    9   24 o   68.686   9.3084  2083.23  505.761  2165.23  577.018  1811.39  1050.63   69.257   10.598   57.165   19.186 12.09223 21.91854 
1 1 1  -35    9   25 f   77.115   9.5688  2704.99  586.279  2616.47  658.347  3044.21  1288.76   74.378   11.253   67.390   21.152 6.988251 23.95890 
1 1 1  -35   11    1 o  270.257   22.100 30005.78  4807.16   0.0000   0.0000 30005.78  4807.16  ?   ?   270.257   22.100 0.000000 22.09982 
1 1 1  -35   11    2 o  471.632   19.688 90699.73  7539.64 98568.42 13172.29 86865.57  9194.86  488.579   33.404  460.336   24.690 28.24283 41.53821 
1 1 1  -35   11    3 o  651.235   31.900 174320.50 16868.35 172261.50 24004.02 176329.30 23709.61  641.468   46.399  649.509   45.240 -8.041748 64.80386 
1 1 1  -35   11    4 o  330.228   24.788 44889.22  6598.00 44889.22  6598.00   0.0000   0.0000  330.228   24.788  ?   ?  0.000000 24.78793 
1 1 1  -35   11    5 o  539.516   38.478 121502.30 16745.53 121502.30 16745.53   0.0000   0.0000  539.516   38.478  ?   ?  0.000000 38.47800 
1 1 1  -35   11    6 o  346.447   25.582 49576.97  7145.34 49576.97  7145.34   0.0000   0.0000  346.447   25.582  ?   ?  0.000000 25.58175 
1 1 1  -35   11    7 o  345.835   25.640 49499.45  7148.65 49499.45  7148.65   0.0000   0.0000  345.835   25.640  ?   ?  0.000000 25.64016 
1 1 1  -35   11    9 o  514.967   36.532 111956.90 15176.24   0.0000   0.0000 111956.90 15176.24  ?   ?   514.967   36.532 0.000000 36.53204 
1 1 1  -35   11   10 o  236.651   17.681 23072.04  3372.93   0.0000   0.0000 23072.04  3372.93  ?   ?   236.651   17.681 0.000000 17.68111 
1 1 1  -35   11   11 o  259.929   13.482 27671.29  2835.75   0.0000   0.0000 27671.29  2835.75  ?   ?   259.929   13.482 0.000000 13.48245 
1 1 1  -35   11   12 f  467.220   23.643 90781.92  8940.12   0.0000   0.0000 90781.92  8940.12  ?   ?   467.220   23.643 0.000000 23.64281 
1 1 1  -35   11   13 o  217.835   12.249 19457.18  2157.79   0.0000   0.0000 19457.18  2157.79  ?   ?   217.835   12.249 0.000000 12.24926 
1 1 1  -35   11   14 o  364.216   18.417 54974.82  5428.88   0.0000   0.0000 54974.82  5428.88  ?   ?   364.216   18.417 0.000000 18.41726 
1 1 1  -35   11   15 o  235.105   13.134 22770.63  2497.14   0.0000   0.0000 22770.63  2497.14  ?   ?   235.105   13.134 0.000000 13.13356 
1 1 1  -35   11   16 o   86.993   11.017  3154.88  760.721   0.0000   0.0000  3154.88  760.721  ?   ?    86.993   11.017 0.000000 11.01657 
1 1 1  -35   11   17 o   57.503   16.112  1430.33  782.397   0.0000   0.0000  1430.33  782.397  ?   ?    57.503   16.112 0.000000 16.11216 
1 1 1  -35   11   18 o  102.611   11.136  4420.28  912.964   0.0000   0.0000  4420.28  912.964  ?   ?   102.611   11.136 0.000000 11.13647 
1 1 1  -35   11   19 o  110.575   9.7854  5113.52  869.494  5874.62  1973.90  4930.28  968.520  112.313   22.430  108.074   11.199 4.239128 25.07061 
1 1 1  -35   11   20 o  172.359   10.206 12479.30  1421.96 13529.89  2802.24 12114.97  1650.20  171.185   20.572  168.658   12.131 2.526749 23.88283 
1 1 1  -35   11   21 o  144.549   11.258  8941.95  1310.97  8047.85  2707.79  9215.70  1498.28  122.225   27.899  145.686   12.796 -23.46149 30.69344 
1 1 1  -35   11   22 f   86.913   13.053  3380.88  892.658  4221.81  2285.14  3229.45  969.706   83.495   28.294   83.853   14.783 -0.3580246 31.92301 
1 1 1  -35   11   23 o   98.641   15.968  4683.19  1235.23  5007.76  2671.01  4594.89  1393.15   81.556   30.277   94.983   18.730 -13.42712 35.60213 
1 1 1  -35   11   24 o   60.719   21.328  2289.98  1302.32   0.0000   0.0000  2289.98  1302.32  ?   ?    60.719   21.328 0.000000 21.32753 
1 1 1  -35   11   25 o   32.434   14.959 -53.4424  916.220   0.0000   0.0000 -53.4424  916.220  ?   ?    32.434   14.959 0.000000 14.95854 
1 1 1  -35   13    1 o  471.271   23.962 91199.61  9139.18   0.0000   0.0000 91199.61  9139.18  ?   ?   471.271   23.962 0.000000 23.96243 
1 1 1  -35   13    2 o  638.678   26.764 167506.00 13879.44 145076.41 24202.06 178497.59 16942.29  583.468   51.618  657.791   31.721 -74.32275 60.58579 
1 1 1  -35   13    3 o  488.584   26.119 98309.45 10324.11 82942.87 14815.36 112815.80 14394.72  443.727   41.606  520.918   34.223 -77.19135 53.87305 
1 1 1  -35   13    4 o   92.182   8.8519  3486.64  654.411  3892.77  1042.03  3222.14  840.929   96.813   13.634   88.156   12.065 8.656708 18.20527 
1 1 1  -35   13    5 o  307.856   16.137 38785.99  4019.66 40109.18  5824.94 37583.01  5554.05  311.781   23.175  301.823   22.832 9.958618 32.53271 
1 1 1  -35   13    6 o  647.888   32.818 174905.70 17208.16 161650.30 24451.16 187914.30 24222.47  612.825   49.563  664.106   45.189 -51.28101 67.07122 
1 1 1  -35   13    7 o  388.742   28.135 62826.45  8820.53   0.0000   0.0000 62826.45  8820.53  ?   ?   388.742   28.135 0.000000 28.13458 
1 1 1  -35   13    8 o  652.292   32.218 177474.50 17063.90 178702.70 24229.83 176265.91 24035.34  643.800   46.668  639.417   46.615 4.382813 65.96142 
1 1 1  -35   13    9 o  796.788   33.738 266355.81 21827.01 247832.41 37991.55 275482.41 26667.46  736.258   64.193  803.253   41.024 -66.99420 76.18194 
1 1 1  -35   13   10 o  493.152   21.931 100306.20  8781.56 86274.76 15398.27 107069.40 10690.45  445.815   43.075  507.261   26.043 -61.44659 50.33571 
1 1 1  -35   13   11 o  248.361   12.278 25185.09  2476.02 32499.66  3736.02 19455.88  3306.45  281.035   16.444  216.645   18.988 64.38925 25.11870 
1 1 1  -35   13   12 o  241.517   13.614 23946.57  2658.78 23257.05  4006.07 24489.40  3554.48  236.173   21.113  243.221   18.129 -7.047455 27.82835 
1 1 1  -35   13   13 o   80.548   10.258  2690.20  655.644  1248.17  1399.27  3095.86  742.156   60.307   21.994   86.406   10.815 -26.09875 24.50940 
1 1 1  -35   13   14 f  138.258   10.862  7864.19  1209.62  6002.90  2095.33  8794.56  1481.40  117.904   22.711  145.935   12.626 -28.03112 25.98460 
1 1 1  -35   13   15 o  253.027   14.158 26493.97  2897.10 29166.17  4378.07 24412.33  3864.14  262.768   20.687  240.603   19.960 22.16472 28.74616 
1 1 1  -35   13   16 o   64.295   14.886  1787.67  761.832 -19.2629  1339.83  2650.99  926.112   45.969   19.800   78.545   15.069 -32.57648 24.88235 
1 1 1  -35   13   17 o   74.569   16.246  2436.95  955.838  565.567  1679.04  3334.20  1162.61   55.184   22.874   87.273   17.018 -32.08972 28.50994 
1 1 1  -35   13   18 o  163.868   12.838 11339.15  1694.45 12045.68  2748.86 10906.17  2151.91  163.772   21.167  158.440   16.992 5.331970 27.14379 
1 1 1  -35   13   19 o   32.791   15.123 -614.8819  936.489   0.0000   0.0000 -614.8819  936.489  ?   ?    32.791   15.123 0.000000 15.12339 
1 1 1  -35   13   20 o   52.340   19.604  1079.96  1124.64   0.0000   0.0000  1079.96  1124.64  ?   ?    52.340   19.604 0.000000 19.60387 
1 1 1  -35   13   21 o   96.054   20.753  4542.31  1571.31   0.0000   0.0000  4542.31  1571.31  ?   ?    96.054   20.753 0.000000 20.75301 
1 1 1  -35   13   22 o   66.363   20.129  2274.18  1179.14  3710.84  2087.95  1601.44  1428.78   77.971   27.026   57.416   21.961 20.55433 34.82381 
1 1 1  -35   13   23 o   85.851   32.865  6804.07  3201.69  6804.07  3201.69   0.0000   0.0000   85.851   32.865  ?   ?  0.000000 32.86523 
1 1 1  -35   15    1 o  235.873   14.376 22762.68  2740.22   0.0000   0.0000 22762.68  2740.22  ?   ?   235.873   14.376 0.000000 14.37628 
1 1 1  -35   15    2 o  332.270   15.133 45029.64  4082.67 39555.96  7257.63 47563.63  4938.06  308.142   29.362  340.715   17.912 -32.57281 34.39483 
1 1 1  -35   15    3 o  249.378   12.712 25398.56  2565.38 22435.34  4561.06 26769.78  3102.67  232.371   24.545  255.747   15.007 -23.37543 28.76944 
1 1 1  -35   15    4 o  113.624   10.013  5293.48  914.307  4666.09  1481.03  5679.84  1162.22  105.396   17.949  117.439   12.374 -12.04300 21.80154 
1 1 1  -35   15    5 o  778.077   40.574 255809.41 25544.82 229765.09 36328.00 281281.91 35927.00  717.899   62.958  802.609   55.469 -84.70996 83.90761 
1 1 1  -35   15    6 o  411.623   21.277 69743.95  7086.91 67974.34 10215.25 71385.97  9840.08  403.098   31.460  413.881   29.473 -10.78320 43.10904 
1 1 1  -35   15    7 o  462.872   33.387 90028.69 12463.85   0.0000   0.0000 90028.69 12463.85  ?   ?   462.872   33.387 0.000000 33.38709 
1 1 1  -35   15    8 o  376.727   19.807 58447.69  6037.56 55312.27  8690.73 61372.54  8393.81  363.237   29.727  383.726   27.115 -20.48880 40.23542 
1 1 1  -35   15    9 o  236.571   13.949 22946.31  2667.66 20180.73  3917.64 25337.25  3642.63  220.088   22.227  247.804   18.232 -27.71603 28.74779 
1 1 1  -35   15   10 o  242.484   11.777 23995.45  2318.81 19602.84  4293.78 25803.96  2755.10  215.896   24.954  250.883   13.575 -34.98689 28.40713 
1 1 1  -35   15   11 o  232.021   10.446 21957.60  1967.94 24273.50  3716.61 21055.32  2319.84  241.926   19.075  226.611   12.658 15.31450 22.89302 
1 1 1  -35   15   12 o  294.277   12.664 35435.87  3025.87 38986.60  5557.14 33939.50  3607.55  305.299   22.578  287.024   15.537 18.27576 27.40726 
1 1 1  -35   15   13 o  122.050   8.2828  6099.66  815.974  7834.49  1843.56  5677.01  909.960  136.772   16.965  117.545   9.6183 19.22633 19.50164 
1 1 1  -35   15   14 o  207.407   10.157 17600.28  1710.44 17150.56  3276.54 17768.74  2005.37  201.507   20.302  207.761   11.938 -6.254623 23.55191 
1 1 1  -35   15   15 o  342.377   14.708 48671.40  4088.94 47946.50  7418.00 48987.80  4900.69  329.468   27.994  341.355   17.742 -11.88739 33.14317 
1 1 1  -35   15   16 o  122.474   9.1294  6196.39  901.349  7567.39  2102.26  5887.59  997.706  131.355   20.370  119.052   10.426 12.30291 22.88363 
1 1 1  -35   15   17 o  173.888   10.204 12558.97  1434.47  9747.46  2868.05 13496.92  1656.56  144.994   25.280  179.787   11.407 -34.79288 27.73468 
1 1 1  -35   15   18 o   75.918   12.868  2491.28  764.867  2143.61  1933.07  2555.81  832.834   70.418   25.825   76.553   13.911 -6.134804 29.33364 
1 1 1  -35   15   19 o   36.288   14.116  389.736  597.591 -48.3082  1879.29  439.012  630.307   51.163   22.700   37.650   14.539 13.51377 26.95636 
1 1 1  -35   15   20 o  200.554   11.532 17197.21  1869.93 17593.47  3970.35 17084.26  2119.74  183.163   27.549  198.318   13.240 -15.15428 30.56571 
1 1 1  -35   15   21 o  106.082   11.769  4922.07  996.628  4364.31  2782.94  5004.13  1067.42   82.502   30.850  106.432   12.596 -23.93014 33.32275 
1 1 1  -35   15   22 o   24.889   11.768 -588.0289  627.724 -6175.3262  2464.05 -200.2532  649.142   34.925   17.669   28.781   13.009 6.144173 21.94186 
1 1 1  -35   15   23 o   27.894   13.375 -851.0958  871.036   62.157  2221.08 -1017.0760  946.888   46.840   22.143   28.373   13.691 18.46687 26.03400 
1 1 1  -35   15   24 f   37.304   16.811  308.782  1074.47   0.0000   0.0000  308.782  1074.47  ?   ?    37.304   16.811 0.000000 16.81056 
1 1 1  -35   17    1 o  427.289   22.053 75128.38  7625.11   0.0000   0.0000 75128.38  7625.11  ?   ?   427.289   22.053 0.000000 22.05310 
1 1 1  -35   17    2 o  471.085   20.461 90968.79  7826.63 82581.73 13831.03 94919.53  9492.67  441.793   38.955  479.625   24.456 -37.83279 45.99598 
1 1 1  -35   17    3 o  281.274   13.969 32269.68  3190.29 32159.61  5681.14 32320.38  3855.63  278.195   25.432  280.678   16.998 -2.482666 30.58952 
1 1 1  -35   17    4 o  874.118   45.388 327006.81 32103.35 310319.41 45700.45 343263.81 45107.36  824.575   68.889  873.944   64.011 -49.36884 94.03784 
1 1 1  -35   17    5 o  384.898   21.143 61039.72  6582.36 53226.85  9571.66 68049.84  9066.60  355.339   33.572  404.367   27.783 -49.02811 43.57732 
1 1 1  -35   17    6 o  217.984   17.782 19591.77  3119.84   0.0000   0.0000 19591.77  3119.84  ?   ?   217.984   17.782 0.000000 17.78157 
1 1 1  -35   17    7 o  422.946   22.216 73937.44  7602.75 70646.72 10989.93 76957.74 10528.72  408.862   33.396  428.220   30.480 -19.35721 45.21385 
1 1 1  -35   17    8 f  162.070   12.042 10775.26  1573.31  8916.10  2547.56 11921.53  2000.36  145.365   22.295  170.121   14.624 -24.75612 26.66319 
1 1 1  -35   17    9 o  296.665   16.120 36190.29  3868.35 38358.17  5704.37 34344.53  5263.54  303.383   23.336  287.165   22.760 16.21790 32.59742 
1 1 1  -35   17   10 o  458.588   23.736 87675.24  8807.99 85443.25 12814.09 89674.31 12127.05  445.428   35.731  458.427   32.796 -12.99866 48.50040 
1 1 1  -35   17   11 o  154.230   8.8274  9725.50  1100.86  7701.60  2358.05 10289.55  1244.85  134.413   22.394  158.538   9.7173 -24.12476 24.41131 
1 1 1  -35   17   12 o  152.372   8.5834  9496.04  1057.62  9570.41  2299.81  9476.09  1191.04  150.783   19.222  152.057   9.6973 -1.274323 21.52939 
1 1 1  -35   17   13 o  217.404   10.226 19336.39  1805.17 19065.79  3568.56 19429.44  2092.66  212.364   20.969  217.316   11.905 -4.952545 24.11296 
1 1 1  -35   17   14 o   94.697   9.1788  3704.94  696.907  1055.55  1736.01  4213.93  760.911   61.170   23.986  101.012   9.3846 -39.84232 25.75640 
1 1 1  -35   17   15 o  151.953   9.1736  9515.45  1126.54  8731.07  2523.91  9710.59  1258.90  140.236   22.960  153.250   10.175 -13.01422 25.11372 
1 1 1  -35   17   16 o  154.085   9.6639  9835.67  1202.94  9783.30  2682.44  9848.85  1345.87  147.044   23.239  153.792   10.847 -6.747986 25.64614 
1 1 1  -35   17   17 o  168.651   10.319 11861.36  1406.22 12583.71  3093.04 11673.15  1578.82  164.950   23.781  166.657   11.742 -1.707306 26.52195 
1 1 1  -35   17   18 o  160.711   10.778 10865.40  1398.34  7443.13  3157.60 11700.30  1559.61  117.196   32.194  166.330   11.621 -49.13453 34.22707 
1 1 1  -35   17   19 o   71.649   13.648  2277.86  764.988  3556.56  2291.56  2117.49  811.543   81.906   28.318   68.469   15.011 13.43752 32.05054 
1 1 1  -35   17   20 o   42.615   15.852  701.081  732.917  4069.39  2357.69  340.763  771.123   83.682   28.735   38.032   15.606 45.64922 32.69958 
1 1 1  -35   17   21 o   27.766   12.642 -270.4851  626.862  2764.69  2510.12 -472.3718  647.375   68.496   28.137   26.458   12.330 42.03792 30.71983 
1 1 1  -35   17   22 o   72.942   19.174  2858.07  1150.55  1686.64  3143.20  3039.32  1236.36   58.536   27.241   74.410   20.023 -15.87305 33.80836 
1 1 1  -35   17   23 o   34.743   16.166 -239.5428  1106.11   0.0000   0.0000 -239.5428  1106.11  ?   ?    34.743   16.166 0.000000 16.16569 
1 1 1  -35   19    1 o  424.060   22.436 74176.00  7697.73   0.0000   0.0000 74176.00  7697.73  ?   ?   424.060   22.436 0.000000 22.43597 
1 1 1  -35   19    2 o  447.997   24.286 83014.23  8801.22   0.0000   0.0000 83014.23  8801.22  ?   ?   447.997   24.286 0.000000 24.28591 
1 1 1  -35   19    3 o  325.051   15.510 43185.67  4093.69 39250.93  7325.93 44972.11  4936.28  305.772   29.889  330.745   18.455 -24.97284 35.12745 
1 1 1  -35   19    4 o  311.159   14.918 39565.60  3768.93 40672.30  6690.49 39051.16  4561.57  312.193   26.649  308.092   18.317 4.101074 32.33684 
1 1 1  -35   19    5 o  124.772   14.460  6445.38  1437.78   0.0000   0.0000  6445.38  1437.78  ?   ?   124.772   14.460 0.000000 14.45980 
1 1 1  -35   19    6 o  137.999   11.636  7821.22  1291.64  7766.82  2157.99  7851.59  1612.35  135.974   20.156  137.811   14.633 -1.837219 24.90783 
1 1 1  -35   19    7 o  366.121   20.303 55405.47  6011.99 50228.28  8815.16 59907.65  8220.44  344.050   31.919  378.246   26.942 -34.19598 41.76933 
1 1 1  -35   19    8 o  340.860   18.732 47976.44  5164.61 46608.61  7612.64 49142.85  7029.83  332.319   28.488  342.588   25.454 -10.26895 38.20266 
1 1 1  -35   19    9 f  148.551   20.726  9296.80  2431.88  9296.80  2431.88   0.0000   0.0000  148.551   20.726  ?   ?  0.000000 20.72638 
1 1 1  -35   19   10 o  226.355   14.258 21097.48  2607.21 21654.02  4070.73 20710.40  3394.90  227.052   22.371  223.073   18.921 3.978745 29.30000 
1 1 1  -35   19   11 o  245.148   11.616 24598.03  2312.23 24401.04  4620.67 24663.83  2670.67  239.923   24.042  244.771   13.490 -4.848007 27.56826 
1 1 1  -35   19   12 o  202.818   11.266 16911.87  1848.06 12975.30  3811.20 18122.02  2113.11  171.759   28.315  209.681   12.468 -37.92175 30.93791 
1 1 1  -35   19   13 o   73.349   9.6523  2241.77  560.895  242.484  1745.28  2472.05  592.317   54.309   22.968   77.079   9.6775 -22.76958 24.92354 
1 1 1  -35   19   14 o  127.515   8.6278  6697.32  888.040  8033.72  2292.14  6461.30  963.272  135.094   21.626  125.032   9.5608 10.06203 23.64480 
1 1 1  -35   19   15 o   81.611   9.5978  2782.77  623.850  2782.62  1903.31  2782.78  660.328   78.638   25.804   81.461   10.207 -2.822815 27.74972 
1 1 1  -35   19   16 o   20.794   9.8558 -521.3473  445.472  1100.21  1545.96 -668.1801  465.204   57.853   22.649   20.218   9.7153 37.63586 24.64466 
1 1 1  -35   19   17 o   39.841   13.997  614.310  560.903  3052.41  1973.33  400.014  585.034   79.413   26.285   36.361   14.016 43.05198 29.78858 
1 1 1  -35   19   18 o  172.746   11.218 12651.71  1564.94  9857.46  3448.63 13376.31  1756.16  133.255   32.226  176.891   12.304 -43.63507 34.49486 
1 1 1  -35   19   19 o  136.716   10.569  7969.96  1164.19  6100.78  2904.76  8327.66  1270.72  100.327   31.790  139.274   11.335 -38.94706 33.74997 
1 1 1  -35   19   20 o  128.229   11.389  7163.93  1173.49  9528.11  3331.25  6828.99  1253.86  119.954   33.115  124.244   12.603 -4.289360 35.43228 
1 1 1  -35   19   21 f   49.016   18.396  1123.18  991.357  1901.09  2486.37  976.133  1081.00   60.232   26.441   47.652   18.850 12.57946 32.47228 
1 1 1  -35   19   22 o   68.805   21.886  2955.94  1375.74 -1027.6300  3522.22  3673.09  1494.46   48.837   24.147   76.412   22.543 -27.57536 33.03431 
1 1 1  -35   19   23 o   54.984   20.725  2127.51  1260.81   0.0000   0.0000  2127.51  1260.81  ?   ?    54.984   20.725 0.000000 20.72479 
1 1 1  -35   21    1 o  160.672   13.921 10622.51  1798.20   0.0000   0.0000 10622.51  1798.20  ?   ?   160.672   13.921 0.000000 13.92108 
1 1 1  -35   21    2 o  385.564   21.014 61391.14  6553.91   0.0000   0.0000 61391.14  6553.91  ?   ?   385.564   21.014 0.000000 21.01392 
1 1 1  -35   21    3 o  442.467   23.977 81242.06  8581.97   0.0000   0.0000 81242.06  8581.97  ?   ?   442.467   23.977 0.000000 23.97684 
1 1 1  -35   21    4 o  434.415   19.437 77638.26  6855.88 76129.43 12160.98 78341.21  8300.72  422.268   35.806  434.413   23.622 -12.14487 42.89559 
1 1 1  -35   21    5 o  450.687   20.861 83809.05  7633.79 70590.18 13376.18 90194.02  9296.37  402.447   41.531  465.439   24.687 -62.99179 48.31437 
1 1 1  -35   21    6 o  203.587   14.478 17052.46  2377.71 14826.15  3837.87 18439.29  3029.07  186.935   25.988  211.042   17.844 -24.10706 31.52416 
1 1 1  -35   21    7 o  248.181   15.189 25350.43  3046.09 26783.78  4760.40 24356.65  3963.82  252.817   23.457  241.938   20.367 10.87892 31.06539 
1 1 1  -35   21    8 o  302.463   17.821 37838.71  4357.29 35203.80  6570.45 39907.21  5821.56  287.602   28.512  308.626   23.405 -21.02475 36.88814 
1 1 1  -35   21    9 o  326.795   18.475 44313.72  4882.10 44691.58  7337.61 44013.57  6539.73  323.626   28.206  322.745   25.154 0.8811340 37.79253 
1 1 1  -35   21   10 o  120.994   12.961  6076.06  1253.47  4246.68  2277.01  6871.49  1501.45   98.319   27.465  128.384   14.667 -30.06506 31.13549 
1 1 1  -35   21   11 o  114.012   8.2509  5334.63  758.650  6698.64  2256.56  5160.81  805.539  123.880   23.289  112.024   8.9302 11.85589 24.94249 
1 1 1  -35   21   12 o  213.579   11.302 18828.30  1953.10 13962.87  4278.27 20109.25  2195.20  174.417   31.362  220.410   12.315 -45.99348 33.69369 
1 1 1  -35   21   13 o   72.930   10.315  2232.75  593.783 -1407.6740  1916.25  2619.43  624.522   46.032   21.371   79.186   9.9316 -33.15479 23.56608 
1 1 1  -35   21   14 o   87.713   9.1322  3201.18  640.856  4205.94  2352.04  3120.60  666.056   94.105   28.403   86.468   9.6514 7.636749 29.99821 
1 1 1  -35   21   15 o  146.327   9.9147  8910.32  1171.05  8144.50  3050.57  9042.68  1268.21  128.176   29.865  147.126   10.689 -18.94981 31.72038 
1 1 1  -35   21   16 o   28.506   11.955   76.304  466.450 -3792.1809  2231.32  253.084  476.989   40.349   19.807   31.685   12.525 8.664066 23.43514 
1 1 1  -35   21   17 o   82.711   11.386  2935.72  744.371  4533.16  2732.77  2807.70  773.623   91.145   30.941   80.538   12.213 10.60687 33.26438 
1 1 1  -35   21   18 o   68.779   13.438  2110.95  723.522  2663.64  2854.86  2073.01  747.940   73.624   30.098   67.891   14.032 5.732651 33.20782 
1 1 1  -35   21   19 o   54.043   14.978  1358.09  680.018  1402.84  3037.60  1355.73  697.727   64.026   28.604   53.934   15.252 10.09205 32.41574 
1 1 1  -35   21   20 o   83.318   21.308  3734.08  1447.19  2898.78  3560.95  3899.34  1583.89   67.503   30.494   83.633   22.730 -16.13020 38.03350 
1 1 1  -35   21   21 o   98.481   21.822  5585.61  1699.02  3932.30  4096.60  5929.07  1867.18   63.924   30.175   98.842   23.592 -34.91804 38.30295 
1 1 1  -35   21   22 o   32.976   15.412 -284.7526  1023.57   0.0000   0.0000 -284.7526  1023.57  ?   ?    32.976   15.412 0.000000 15.41243 
1 1 1  -35   23    1 o  361.292   20.620 54024.84  6023.81   0.0000   0.0000 54024.84  6023.81  ?   ?   361.292   20.620 0.000000 20.61954 
1 1 1  -35   23    2 o  133.006   14.216  7319.60  1511.49   0.0000   0.0000  7319.60  1511.49  ?   ?   133.006   14.216 0.000000 14.21588 
1 1 1  -35   23    3 o  323.870   16.175 43039.80  4253.57 45888.57  7880.97 41868.84  5052.70  329.073   29.819  318.055   19.662 11.01788 35.71758 
1 1 1  -35   23    4 o  387.429   17.655 61756.18  5553.77 64442.42 10011.04 60561.89  6675.15  388.797   31.996  381.834   21.619 6.963654 38.61470 
1 1 1  -35   23    5 o  192.749   12.884 15264.72  2004.74 17927.85  3844.95 14270.44  2349.36  206.346   23.360  185.788   15.721 20.55847 28.15771 
1 1 1  -35   23    6 o  101.535   14.011  4304.09  1124.35  3073.99  2244.76  4716.05  1299.05   86.323   28.009  106.054   15.547 -19.73154 32.03440 
1 1 1  -35   23    7 o  276.353   27.786 32634.11  6150.35 32634.11  6150.35   0.0000   0.0000  276.353   27.786  ?   ?  0.000000 27.78583 
1 1 1  -35   23    8 f   69.408   16.148  2067.00  892.923  2858.46  2029.70  1877.06  994.310   82.677   26.613   66.211   18.015 16.46621 32.13743 
1 1 1  -35   23    9 o  254.705   16.607 27018.51  3415.82 24657.17  5387.84 28605.50  4416.95  237.569   28.500  260.140   21.093 -22.57127 35.45618 
1 1 1  -35   23   10 o  272.858   16.671 31159.47  3675.78 33603.59  5775.90 29495.80  4765.32  277.686   25.916  262.195   22.604 15.49127 34.38931 
1 1 1  -35   23   11 o  112.842   14.061  5369.77  1260.34  4653.54  2504.46  5612.67  1458.47  100.467   29.053  114.765   16.094 -14.29741 33.21302 
1 1 1  -35   23   12 o  195.534   11.563 15885.65  1827.73 11226.23  4218.93 16962.17  2027.91  150.597   35.144  201.714   12.442 -51.11684 37.28127 
1 1 1  -35   23   13 o  260.510   12.604 28337.88  2665.96 25089.83  5671.15 29259.26  3020.51  228.161   31.448  263.409   14.175 -35.24803 34.49463 
1 1 1  -35   23   14 o   44.354   11.539  851.540  419.503 -10806.8301  2531.14  1180.82  425.386  ?   ?    52.468   10.353 0.000000 10.35280 
1 1 1  -35   23   15 o   33.416   12.073  401.461  420.190 -1716.3390  2636.09  456.673  425.632   52.201   24.505   34.715   12.193 17.48603 27.37041 
1 1 1  -35   23   16 o   78.245   11.176  2626.32  689.857  3563.88  3087.72  2577.07  707.747   83.069   32.150   77.329   11.632 5.739944 34.18976 
1 1 1  -35   23   17 o   32.114   13.125  209.581  542.700  5949.36  3074.76   25.020  551.357   98.943   32.813   29.692   12.744 69.25104 35.20129 
1 1 1  -35   23   18 o   70.173   13.390  2222.20  735.120 -48.2093  3521.09  2325.67  751.684   60.787   28.467   71.831   13.380 -11.04365 31.45453 
1 1 1  -35   23   19 o   50.355   20.020  1073.27  1225.06 -139.0430  3741.56  1218.83  1296.53   58.169   27.846   52.321   20.661 5.847233 34.67363 
1 1 1  -35   23   20 o   48.957   19.294  1154.16  1128.54  874.973  4128.43  1176.71  1173.22   57.155   27.815   49.373   19.604 7.781815 34.02953 
1 1 1  -35   23   21 o   58.292   21.209  2221.35  1300.03  413.105  4697.96  2371.30  1352.86   51.252   25.731   59.619   21.644 -8.366909 33.62353 
1 1 1  -35   25    1 o  256.302   17.674 27217.03  3655.65   0.0000   0.0000 27217.03  3655.65  ?   ?   256.302   17.674 0.000000 17.67410 
1 1 1  -35   25    2 o  218.034   16.727 19693.32  2938.79   0.0000   0.0000 19693.32  2938.79  ?   ?   218.034   16.727 0.000000 16.72748 
1 1 1  -35   25    3 f  274.093   18.293 31192.70  4047.77   0.0000   0.0000 31192.70  4047.77  ?   ?   274.093   18.293 0.000000 18.29284 
1 1 1  -35   25    4 o  345.070   17.818 49370.79  4975.33 54024.08  9213.72 47455.43  5911.26  352.715   32.538  336.583   21.746 16.13202 39.13614 
1 1 1  -35   25    5 o  234.720   14.615 22760.59  2771.50 22656.13  5391.68 22798.10  3231.05  228.161   29.817  234.168   17.112 -6.007538 34.37798 
1 1 1  -35   25    6 o  415.529   26.444 73942.00  8875.85 76265.95 12243.68 71367.97 12885.60  412.073   36.987  394.519   40.815 17.55383 55.08112 
1 1 1  -35   25    7 o  292.680   19.154 36002.26  4526.67 32256.21  7155.81 38501.33  5844.70  267.760   33.657  299.714   24.224 -31.95358 41.46815 
1 1 1  -35   25    8 o  123.990   15.637  6487.41  1539.25  4493.92  3146.81  7114.40  1764.79  100.399   33.191  129.431   17.220 -29.03269 37.39198 
1 1 1  -35   25    9 o  230.996   15.998 22419.37  2982.08 24889.71  5021.74 21073.69  3706.35  236.730   26.585  221.333   20.870 15.39690 33.79811 
1 1 1  -35   25   10 o   50.985   17.300  1035.62  854.341 -857.3735  2297.81  1339.29  920.318   54.068   24.454   56.404   17.896 -2.336651 30.30273 
1 1 1  -35   25   11 o  134.687   14.976  7718.22  1610.07  6397.41  3233.57  8153.65  1856.59  113.646   33.055  137.612   16.976 -23.96606 37.15961 
1 1 1  -35   25   12 o  262.453   14.051 29095.31  2983.51 24140.07  6485.19 30425.62  3360.21  214.040   38.742  267.243   15.553 -53.20222 41.74694 
1 1 1  -35   25   13 o  112.455   8.4679  5244.80  767.529 12194.78  3024.30  4766.35  793.508  162.377   23.632  106.960   9.2270 55.41656 25.36910 
1 1 1  -35   25   14 o  106.484   9.4853  4747.20  811.526  3061.95  3165.85  4865.72  839.579   81.546   32.259  107.741   9.7012 -26.19396 33.68579 
1 1 1  -35   25   15 o  153.781   9.7701  9925.29  1213.60 12229.11  3889.66  9676.83  1277.37  148.394   33.121  151.482   10.449 -3.087906 34.73033 
1 1 1  -35   25   16 o  131.322   10.318  7323.81  1091.32  5758.00  4008.69  7449.15  1134.16   92.852   36.436  132.258   10.651 -39.40616 37.96128 
1 1 1  -35   25   17 o   67.969   12.297  2057.10  653.672 -4916.7261  4025.03  2246.01  662.466   51.519   25.534   71.299   11.860 -19.78049 28.15353 
1 1 1  -35   25   18 o  108.450   19.999  5978.46  1696.18  6890.28  4830.04  5850.19  1811.56   82.683   36.552  105.077   21.941 -22.39399 42.63135 
1 1 1  -35   25   19 o   85.857   21.875  4221.39  1529.29  7587.42  4352.87  3747.41  1633.41   78.651   34.738   77.998   23.698 0.6535034 42.05159 
1 1 1  -35   25   20 o   37.261   17.023   39.142  1148.88  6233.37  5200.00 -278.7377  1177.99   61.337   30.135   35.517   16.578 25.81952 34.39439 
1 1 1  -35   27    1 o  204.368   17.673 17502.28  2903.81   0.0000   0.0000 17502.28  2903.81  ?   ?   204.368   17.673 0.000000 17.67309 
1 1 1  -35   27    2 o  230.461   18.006 22265.39  3342.59   0.0000   0.0000 22265.39  3342.59  ?   ?   230.461   18.006 0.000000 18.00577 
1 1 1  -35   27    3 o  125.490   18.039  6696.18  1785.24   0.0000   0.0000  6696.18  1785.24  ?   ?   125.490   18.039 0.000000 18.03928 
1 1 1  -35   27    4 o  123.952   25.904  6840.04  2523.14 11483.95  3727.84  2914.13  3427.56  159.622   29.860   89.519   34.068 70.10295 45.30157 
1 1 1  -35   27    5 o   61.635   18.929  1607.40  1038.47 -187.6163  2719.78  1913.75  1123.59   63.481   27.766   66.664   19.513 -3.182266 33.93658 
1 1 1  -35   27    6 o   84.398   17.364  3091.59  1150.26  5131.09  3253.22  2800.20  1229.69  105.310   33.671   79.867   19.199 25.44288 38.76054 
1 1 1  -35   27    7 o  165.944   15.528 11613.82  2067.98 10057.08  4399.02 12055.44  2343.01  142.461   37.512  168.311   17.395 -25.85043 41.34953 
1 1 1  -35   27    8 o   47.174   17.924  705.250  947.813  2421.41  2638.01  450.875  1015.63   79.218   29.949   45.018   18.116 34.20005 35.00208 
1 1 1  -35   27    9 o  130.417   16.328  7298.20  1691.19  5169.14  3625.85  7890.17  1911.90  102.967   35.619  134.977   17.885 -32.01046 39.85733 
1 1 1  -35   27   10 o  119.219   16.775  6165.94  1578.93  1570.15  3493.82  7345.45  1769.99   77.326   32.588  130.099   17.175 -52.77306 36.83735 
1 1 1  -35   27   11 o   46.995   18.468  641.477  1031.20  1517.14  2602.01  478.318  1123.17   70.070   28.700   46.441   18.919 23.62936 34.37464 
1 1 1  -35   27   12 o   80.710   18.809  2969.51  1209.80  6843.17  2986.07  2208.81  1323.26  114.722   31.222   69.390   21.377 45.33194 37.83876 
1 1 1  -35   27   13 o   90.544   9.0680  3436.58  657.705  1311.22  3457.65  3516.37  669.937   71.941   31.391   91.578   9.1313 -19.63663 32.69172 
1 1 1  -35   27   14 o  138.480   9.8396  8071.31  1099.18  9996.40  4193.60  7929.30  1139.00  125.351   37.947  137.013   10.314 -11.66191 39.32351 
1 1 1  -35   27   15 o  117.471   9.8223  5852.10  928.277  8906.91  4141.69  5690.52  952.509  112.281   38.091  115.609   10.253 -3.327370 39.44711 
1 1 1  -35   27   16 o   68.347   11.889  2072.33  635.838  3485.89  3955.35  2034.83  644.217   75.497   33.241   67.572   12.190 7.925339 35.40543 
1 1 1  -35   27   17 o  110.058   21.892  6426.41  1887.48  9363.70  4841.81  5900.05  2049.63   92.555   38.643  101.243   25.066 -8.687553 46.06067 
1 1 1  -35   27   18 o   46.822   19.482  898.874  1224.67  2541.75  4559.10  771.110  1271.40   61.725   29.847   45.940   19.525 15.78544 35.66616 
1 1 1  -35   27   19 o   53.393   21.111  1770.49  1355.21 -1946.2120  5097.62  2053.15  1405.80   49.638   25.146   56.177   21.707 -6.539326 33.21952 
1 1 1  -35   29    1 o  115.789   34.140  6390.61  3428.44   0.0000   0.0000  6390.61  3428.44  ?   ?   115.789   34.140 0.000000 34.13982 
1 1 1  -35   29    2 o  194.265   31.920 17518.59  4860.02   0.0000   0.0000 17518.59  4860.02  ?   ?   194.265   31.920 0.000000 31.92002 
1 1 1  -35   29    3 o  120.866   20.012  6373.02  1895.21   0.0000   0.0000  6373.02  1895.21  ?   ?   120.866   20.012 0.000000 20.01162 
1 1 1  -35   29    4 o  192.561   19.232 15936.97  2966.74   0.0000   0.0000 15936.97  2966.74  ?   ?   192.561   19.232 0.000000 19.23181 
1 1 1  -35   29    5 o  204.545   16.877 17787.51  2777.99 18559.43  6134.45 17588.37  3115.78  189.940   40.979  202.058   19.223 -12.11865 45.26376 
1 1 1  -35   29    6 o   65.907   20.494  1890.20  1212.96  1753.09  3491.80  1909.02  1293.52   79.527   32.977   66.448   21.231 13.07907 39.22014 
1 1 1  -35   29    7 o  146.541   17.182  9259.93  2005.65 10362.99  4654.24  9008.38  2222.60  139.397   39.382  143.279   19.620 -3.881866 43.99849 
1 1 1  -35   29    8 o  140.433   17.109  8548.19  1910.60  8658.71  4735.26  8526.69  2088.12  124.731   40.690  139.285   18.956 -14.55473 44.88886 
1 1 1  -35   29    9 o   67.323   20.618  2035.21  1233.01 -845.9626  3275.06  2511.03  1330.93   63.034   28.776   74.102   21.103 -11.06776 35.68493 
1 1 1  -35   29   10 o  144.644   18.190  9260.51  2089.05  7566.64  5138.32  9595.94  2286.56  111.869   41.903  146.221   19.766 -34.35173 46.33035 
1 1 1  -35   29   11 o   60.452   20.796  1593.37  1235.07 10043.87  4219.71  801.598  1291.64  130.958   37.666   51.484   20.529 79.47408 42.89742 
1 1 1  -35   29   12 o  178.925   18.890 14528.00  2702.93  9209.83  5653.56 16103.78  3077.43  112.058   43.466  186.585   20.660 -74.52729 48.12616 
1 1 1  -35   29   13 o  179.164   10.255 13563.56  1485.71 16513.19  5255.02 13307.31  1548.90  157.131   40.820  177.064   10.825 -19.93330 42.23099 
1 1 1  -35   29   14 o  110.064   9.4643  5139.17  837.589  6594.21  4513.12  5087.26  852.397   92.928   37.899  109.387   9.6976 -16.45890 39.12007 
1 1 1  -35   29   15 o   95.985   20.642  4664.21  1561.02  5337.01  5008.40  4591.82  1642.85   80.482   36.279   93.957   21.933 -13.47460 42.39371 
1 1 1  -35   29   16 f   86.121   24.053  4310.01  1746.57  1831.55  5264.30  4616.57  1851.44   65.108   31.622   88.315   24.799 -23.20686 40.18649 
1 1 1  -35   29   17 f   23.795   11.808 -1735.2220  871.047 -8790.7402  4910.95 -1506.0480  885.081   45.267   23.099   25.024   12.321 20.24390 26.17970 
1 1 1  -35   29   18 o   39.525   18.496 -81.1008  1481.82  1968.82  5695.37 -229.9432  1534.68   53.907   27.224   39.210   18.497 14.69691 32.91296 
1 1 1  -35   31    1 o  173.319   20.273 13137.62  2799.05   0.0000   0.0000 13137.62  2799.05  ?   ?   173.319   20.273 0.000000 20.27264 
1 1 1  -35   31    2 o  165.496   21.138 12082.39  2775.54   0.0000   0.0000 12082.39  2775.54  ?   ?   165.496   21.138 0.000000 21.13772 
1 1 1  -35   31    3 o  189.451   20.512 15757.51  3104.90   0.0000   0.0000 15757.51  3104.90  ?   ?   189.451   20.512 0.000000 20.51174 
1 1 1  -35   31    4 o  150.040   20.806  9987.26  2466.48   0.0000   0.0000  9987.26  2466.48  ?   ?   150.040   20.806 0.000000 20.80563 
1 1 1  -35   31    5 o   70.386   23.263  2188.41  1545.85 -1200.3770  4549.14  2630.81  1643.66   72.445   33.384   76.023   23.892 -3.578598 41.05205 
1 1 1  -35   31    6 o   44.096   18.908   94.163  1211.60  1799.61  4444.31 -42.7640  1259.30   82.822   35.866   43.689   19.006 39.13276 40.59081 
1 1 1  -35   31    7 o  236.813   19.108 24731.09  3642.89 25904.72  8068.08 24430.55  4082.76  200.697   49.757  232.554   21.879 -31.85718 54.35496 
1 1 1  -35   31    8 o   93.650   22.887  4150.61  1725.59  4137.66  5676.44  4151.93  1811.32   94.326   40.692   93.172   23.843 1.153786 47.16262 
1 1 1  -35   31    9 o  220.184   19.575 21841.40  3463.21 19630.06  7544.54 22431.76  3898.17  160.062   51.287  220.259   22.094 -60.19719 55.84400 
1 1 1  -35   31   10 o  143.025   20.308  9459.32  2292.15  5762.21  5589.87 10206.63  2513.16   95.999   40.873  147.481   21.629 -51.48254 46.24306 
1 1 1  -35   31   11 o  163.140   19.631 12354.80  2548.20 16998.62  6293.63 11444.26  2786.85  146.523   46.832  153.483   23.076 -6.959686 52.20855 
1 1 1  -35   31   12 o   64.520   22.381  2019.73  1431.96  7717.08  5122.93  1536.86  1491.41   97.934   40.209   59.159   22.482 38.77489 46.06764 
1 1 1  -35   31   13 o   58.553   22.009  1605.14  1420.05  7031.75  5223.41  1172.06  1475.62   89.003   38.713   54.343   21.847 34.65982 44.45238 
1 1 1  -35   31   14 o   49.209   20.496  841.686  1357.35  2583.68  5207.44  714.705  1405.95   69.396   33.119   48.481   20.565 20.91539 38.98438 
1 1 1  -35   31   15 o   74.535   24.173  3404.30  1672.15  4916.06  5788.76  3266.68  1746.61   68.906   33.395   72.204   24.735 -3.298470 41.55793 
1 1 1  -35   31   16 o   51.741   21.077  1458.90  1393.87  2989.84  5820.47  1365.75  1435.64   59.373   29.634   50.940   21.136 8.432816 36.39947 
1 1 1  -35   33    1 o  260.475   24.358 31171.68  5091.88   0.0000   0.0000 31171.68  5091.88  ?   ?   260.475   24.358 0.000000 24.35816 
1 1 1  -35   33    2 o  112.063   26.802  6079.29  2405.86   0.0000   0.0000  6079.29  2405.86  ?   ?   112.063   26.802 0.000000 26.80159 
1 1 1  -35   33    3 o   59.722   22.838  1303.19  1544.94   0.0000   0.0000  1303.19  1544.94  ?   ?    59.722   22.838 0.000000 22.83766 
1 1 1  -35   33    4 o   80.147   26.502  3058.98  2006.21   0.0000   0.0000  3058.98  2006.21  ?   ?    80.147   26.502 0.000000 26.50190 
1 1 1  -35   33    5 o   70.716   25.157  2243.04  1817.27   0.0000   0.0000  2243.04  1817.27  ?   ?    70.716   25.157 0.000000 25.15736 
1 1 1  -35   33    6 o  126.191   23.069  7530.26  2276.57  5553.24  7567.89  7726.97  2387.15   99.186   44.663  127.139   24.004 -27.95318 50.70493 
1 1 1  -35   33    7 o  143.716   21.988  9695.75  2484.29 12432.71  6925.61  9291.57  2661.41  123.554   48.057  138.400   24.584 -14.84582 53.98007 
1 1 1  -35   33    8 o  104.401   23.199  5331.33  1915.58 10632.87  6872.54  4884.75  1994.63  111.898   46.321   98.502   24.920 13.39581 52.59890 
1 1 1  -35   33    9 o  103.768   24.251  5444.23  2006.53  4712.92  6925.44  5511.25  2096.45   88.236   40.846  103.607   25.169 -15.37037 47.97799 
1 1 1  -35   33   10 o  319.854   25.520 52712.14  6572.74 65346.99 13976.34 49124.34  7447.71  206.619   69.974  292.356   31.891 -85.73694 76.89882 
1 1 1  -35   33   11 o  195.316   24.096 19807.21  3740.32 14777.13  9279.99 20782.85  4086.99   96.982   45.668  196.186   26.320 -99.20423 52.70965 
1 1 1  -35   33   12 o   84.995   25.352  4181.24  1882.01 -6795.3091  7238.28  4977.10  1949.04   60.240   30.454   93.513   25.130 -33.27357 39.48372 
1 1 1  -35   33   13 o  123.671   25.751  9025.33  2501.76  635.839  8306.04  9862.37  2623.60   65.122   32.886  129.211   25.909 -64.08873 41.86621 
1 1 1  -35   33   14 o   38.576   18.001 -386.5212  1387.34 -4234.5249  8384.34 -278.1978  1406.73   56.689   29.026   39.410   18.302 17.27893 34.31408 
1 1 1  -35   33   15 o   39.909   18.611 -76.1997  1479.13  448.105  7690.84 -96.3376  1507.26   54.392   27.846   40.042   18.711 14.35003 33.54830 
1 1 1  -35   35    1 o   91.075   30.342  4388.97  2627.97   0.0000   0.0000  4388.97  2627.97  ?   ?    91.075   30.342 0.000000 30.34226 
1 1 1  -35   35    2 o   89.111   29.051  4151.50  2413.87   0.0000   0.0000  4151.50  2413.87  ?   ?    89.111   29.051 0.000000 29.05098 
1 1 1  -35   35    3 o   95.553   27.790  4757.04  2285.55   0.0000   0.0000  4757.04  2285.55  ?   ?    95.553   27.790 0.000000 27.78988 
1 1 1  -35   35    4 o   78.927   27.131  3163.74  2102.04   0.0000   0.0000  3163.74  2102.04  ?   ?    78.927   27.131 0.000000 27.13099 
1 1 1  -35   35    5 o   74.915   27.575  2808.56  2206.66   0.0000   0.0000  2808.56  2206.66  ?   ?    74.915   27.575 0.000000 27.57463 
1 1 1  -35   35    6 o   86.014   27.965  4028.88  2237.32   0.0000   0.0000  4028.88  2237.32  ?   ?    86.014   27.965 0.000000 27.96486 
1 1 1  -35   35    7 o   78.848   27.785  3411.95  2211.65 17090.83  9212.33  2575.33  2278.28  111.620   49.843   71.264   27.607 40.35615 56.97804 
1 1 1  -35   35    8 o   52.919   22.146  872.181  1595.55  5719.04  8655.48  701.687  1623.37   83.688   40.623   51.777   22.035 31.91105 46.21452 
1 1 1  -35   35    9 o   48.355   21.266  348.472  1614.99 -970.6852  7977.94  404.839  1649.14   70.153   34.964   49.086   21.541 21.06777 41.06677 
1 1 1  -35   35   10 o   47.779   21.204  352.898  1640.80 -2104.5601 10120.73  419.233  1662.80   67.940   34.523   48.425   21.425 19.51496 40.63123 
1 1 1  -35   35   11 o   59.042   24.270  1883.19  1869.29  2130.48  9259.68  1872.69  1908.58   66.406   33.668   59.008   24.417 7.397877 41.59052 
1 1 1  -35   35   12 o   51.012   22.398  1087.43  1784.83  6053.58 10856.72  949.479  1809.45   63.872   32.728   50.216   22.277 13.65620 39.59022 
1 1 1  -35   35   13 o   30.232   15.002 -2246.6421  1405.66  7642.30  9526.57 -2466.7310  1421.22   59.693   30.592   29.771   14.824 29.92257 33.99419 
1 1 1  -35   37    1 o   73.671   29.812  2818.35  2767.07   0.0000   0.0000  2818.35  2767.07  ?   ?    73.671   29.812 0.000000 29.81181 
1 1 1  -35   37    2 o   84.474   31.922  4378.83  2996.21   0.0000   0.0000  4378.83  2996.21  ?   ?    84.474   31.922 0.000000 31.92246 
1 1 1  -35   37    3 o   68.502   28.143  2267.85  2511.47   0.0000   0.0000  2267.85  2511.47  ?   ?    68.502   28.143 0.000000 28.14251 
1 1 1  -35   37    4 o   99.200   31.779  6271.28  2896.68   0.0000   0.0000  6271.28  2896.68  ?   ?    99.200   31.779 0.000000 31.77857 
1 1 1  -35   37    5 o   57.612   25.673  786.556  2430.55   0.0000   0.0000  786.556  2430.55  ?   ?    57.612   25.673 0.000000 25.67332 
1 1 1  -35   37    6 o   43.611   20.751 -1276.0920  2012.41   0.0000   0.0000 -1276.0920  2012.41  ?   ?    43.611   20.751 0.000000 20.75083 
1 1 1  -35   37    7 o  105.239   32.277  7809.58  3020.68 16916.06 12336.75  7228.81  3115.52   81.679   41.100   98.658   33.039 -16.97925 52.73290 
1 1 1  -35   37    8 f   64.893   27.028  2587.13  2360.46  9586.34 12861.50  2343.16  2401.25   71.776   36.687   63.235   26.853 8.540798 45.46459 
1 1 1  -35   37    9 o   70.430   27.470  3563.63  2267.73 15418.06 12967.80  3189.68  2303.22   70.078   35.898   67.281   27.208 2.796860 45.04409 
1 1 1  -35   37   10 o   47.947   21.646  704.135  1791.05 -16168.0596 10962.23  1166.88  1815.44   53.218   27.504   50.951   22.472 2.266319 35.51728 
1 1 1  -35   39    1 o   72.145   31.480  3814.49  3477.44   0.0000   0.0000  3814.49  3477.44  ?   ?    72.145   31.480 0.000000 31.47972 
1 1 1  -35   39    2 o   50.728   24.198 -751.6904  2772.85   0.0000   0.0000 -751.6904  2772.85  ?   ?    50.728   24.198 0.000000 24.19774 
1 1 1  -35   39    3 o  100.096   35.968  8999.23  3723.63   0.0000   0.0000  8999.23  3723.63  ?   ?   100.096   35.968 0.000000 35.96842 
1 1 1  -35   39    4 f   56.681   26.055  1112.31  2747.73   0.0000   0.0000  1112.31  2747.73  ?   ?    56.681   26.055 0.000000 26.05465 
1 1 1  -35   39    5 o   56.571   26.301  1199.98  2918.55   0.0000   0.0000  1199.98  2918.55  ?   ?    56.571   26.301 0.000000 26.30068 
1 1 1  -35   39    6 o   91.337   35.710  9278.02  3839.23   0.0000   0.0000  9278.02  3839.23  ?   ?    91.337   35.710 0.000000 35.70993 
1 1 1  -34    0    1 o  360.975   27.240 53913.88  7879.41 53913.88  7879.41   0.0000   0.0000  360.975   27.240  360.975   27.240 0.000000 0.000000 
1 1 1  -34    0    3 o  448.849   31.489 83228.74 11346.54 83228.74 11346.54   0.0000   0.0000  448.849   31.489  448.849   31.489 0.000000 0.000000 
1 1 1  -34    0    4 f  115.441   10.983  5557.78  1008.08  5557.78  1008.08   0.0000   0.0000  115.441   10.983  115.441   10.983 0.000000 0.000000 
1 1 1  -34    0    5 o  780.163   54.213 252835.41 33961.43 252835.41 33961.43   0.0000   0.0000  780.163   54.213  780.163   54.213 0.000000 0.000000 
1 1 1  -34    0    6 o  1372.04   96.777 798595.00 106581.80 798595.00 106581.80   0.0000   0.0000  1372.04   96.777  1372.04   96.777 0.000000 0.000000 
1 1 1  -34    0    7 o  418.514   29.488 72394.17  9906.48   0.0000   0.0000 72394.17  9906.48  418.514   29.488  418.514   29.488 0.000000 0.000000 
1 1 1  -34    0    8 o  116.716   8.2414  5614.65  772.086  4085.07  1158.53  6836.77  1035.57   96.458   16.154  128.570   10.062 0.000000 0.000000 
1 1 1  -34    0    9 o  194.591   10.574 15520.05  1659.37 18866.93  2419.38 12547.14  2280.21  214.061   14.059  173.317   16.550 0.000000 0.000000 
1 1 1  -34    0   10 o   95.439   7.9383  3776.11  605.373  2849.68  979.464  4348.77  770.071   78.440   17.618  102.162   9.4704 0.000000 0.000000 
1 1 1  -34    0   11 f  635.492   45.158 169798.59 23031.17 169798.59 23031.17   0.0000   0.0000  635.492   45.158  635.492   45.158 0.000000 0.000000 
1 1 1  -34    0   12 o  285.745   14.357 33476.84  3311.81 38709.15  4758.15 28560.08  4612.44  306.329   19.306  261.776   22.061 0.000000 0.000000 
1 1 1  -34    0   13 o  138.804   9.3638  7936.93  1044.31  7187.55  1566.41  8536.51  1401.13  130.221   15.378  143.323   12.246 0.000000 0.000000 
1 1 1  -34    0   14 o   19.427   11.785  140.408  344.945  864.495  571.888 -273.6697  432.470   38.296   17.206   15.765   10.773 0.000000 0.000000 
1 1 1  -34    0   15 o  319.798   15.715 41998.05  4058.18 50559.50  5844.38 34026.70  5639.37  349.774   20.746  284.842   24.816 0.000000 0.000000 
1 1 1  -34    0   16 f  374.471   19.443 57828.52  5875.56 53698.31  8418.99 61750.27  8203.78  357.007   29.507  384.560   26.564 0.000000 0.000000 
1 1 1  -34    0   17 o  317.992   16.489 41673.97  4231.19 42743.97  6111.13 40688.72  5864.12  319.517   23.861  311.773   23.470 0.000000 0.000000 
1 1 1  -34    0   18 o   79.123   10.337  2678.27  632.720  1202.40  1041.27  3542.21  796.666   44.519   22.771   91.204   11.212 0.000000 0.000000 
1 1 1  -34    0   19 f   56.381   14.288  1524.87  565.585  680.548  1360.36  1701.32  621.882   39.302   23.622   59.699   14.824 0.000000 0.000000 
1 1 1  -34    0   20 o   16.151   10.768 -121.4923  383.725  982.394  1625.55 -186.6347  394.885   44.217   26.186   15.673   10.592 0.000000 0.000000 
1 1 1  -34    0   21 o   16.410   11.171 -254.6305  455.576 -264.2691  1383.80 -253.4588  482.473   31.281   20.723   17.036   11.568 0.000000 0.000000 
1 1 1  -34    0   22 o   89.113   12.970  3475.08  880.461  2467.83  2091.31  3692.08  970.680   60.837   31.971   91.461   14.059 0.000000 0.000000 
1 1 1  -34    0   23 o  105.157   11.908  4742.75  983.108  5346.95  2367.20  4616.82  1080.71   95.555   33.622  102.869   13.601 0.000000 0.000000 
1 1 1  -34    0   24 o   68.232   14.900  2198.14  723.037  3326.94  1973.13  2023.05  777.090   69.957   31.939   63.260   17.492 0.000000 0.000000 
1 1 1  -34    0   25 o   50.001   18.130  1418.92  676.093   0.0000   0.0000  1418.92  676.093   50.001   18.130   50.001   18.130 0.000000 0.000000 
1 1 1  -34    0   26 o   36.009   17.658  854.863  613.229   0.0000   0.0000  854.863  613.229   36.009   17.658   36.009   17.658 0.000000 0.000000 
1 1 1  -34    2    1 o  190.677   17.137 14904.84  2624.88   0.0000   0.0000 14904.84  2624.88  ?   ?   190.677   17.137 0.000000 17.13710 
1 1 1  -34    2    2 o  720.900   49.658 215048.41 28889.78 215048.41 28889.78   0.0000   0.0000  720.900   49.658  ?   ?  0.000000 49.65784 
1 1 1  -34    2    3 o  294.346   21.217 35451.99  5036.84 35451.99  5036.84   0.0000   0.0000  294.346   21.217  ?   ?  0.000000 21.21698 
1 1 1  -34    2    4 o  648.709   31.063 171874.00 16362.02 173372.80 23187.79 170387.50 23091.29  648.071   44.332  642.393   44.545 5.678589 62.84555 
1 1 1  -34    2    5 o  323.014   13.406 42409.78  3515.96 34589.92  6151.32 46204.19  4284.90  290.043   26.409  337.082   15.655 -47.03979 30.70063 
1 1 1  -34    2    6 o  450.303   18.394 82525.92  6725.27 60815.26 11707.24 93219.12  8216.22  383.172   38.136  478.398   21.152 -95.22610 43.60866 
1 1 1  -34    2    7 o  527.814   20.391 113515.20  8739.03 130619.50 15192.45 105057.10 10683.45  563.512   33.352  506.527   26.064 56.98425 42.32860 
1 1 1  -34    2    8 o  646.494   30.826 171583.30 16181.75   0.0000   0.0000 171583.30 16181.75  ?   ?   646.494   30.826 0.000000 30.82639 
1 1 1  -34    2    9 o  434.814   14.785 77030.66  5219.77 78053.90  7380.12 76006.46  7383.60  436.932   20.802  431.121   21.093 5.811188 29.62490 
1 1 1  -34    2   10 o  217.129   7.9489 19166.33  1401.40 19421.51  1978.48 18909.39  1985.29  218.137   11.208  215.214   11.402 2.923004 15.98810 
1 1 1  -34    2   11 o  654.354   25.714 176787.30 13662.37 185864.20 23713.95 172277.50 16715.32  658.711   44.600  643.006   32.016 15.70532 54.90156 
1 1 1  -34    2   12 o  461.063   15.753 86934.51  5897.27 85651.17  8334.10 88221.48  8345.91  455.926   22.513  462.808   22.209 -6.881470 31.62390 
1 1 1  -34    2   13 o  413.996   14.260 70068.44  4793.50 70472.78  6770.38 69662.00  6787.70  413.761   20.152  411.326   20.324 2.435272 28.62100 
1 1 1  -34    2   14 o  164.314   7.2065 10984.25  961.469 10050.14  1342.21 11968.75  1377.94  156.624   10.617  171.068   9.9634 -14.44440 14.55982 
1 1 1  -34    2   15 o  258.116   9.6263 27170.02  2017.51 27092.07  2840.35 27249.40  2866.19  256.807   13.671  257.535   13.756 -0.7281799 19.39403 
1 1 1  -34    2   16 f  154.846   7.0623  9762.96  887.942 10433.09  1248.07  9076.10  1263.55  159.578   9.6780  148.667   10.536 10.91145 14.30610 
1 1 1  -34    2   17 o   97.811   6.4761  3913.65  511.413  3884.74  713.828  3944.13  733.050   97.079   9.1643   97.795   9.3454 -0.7160416 13.08895 
1 1 1  -34    2   18 o  120.493   6.9861  5947.24  680.564  5818.45  924.122  6099.86  1006.01  118.692   9.6730  121.411   10.302 -2.719215 14.13148 
1 1 1  -34    2   19 o  204.424   8.4648 17171.30  1405.04 18272.71  1990.45 16077.43  1983.63  209.413   11.754  196.048   12.527 13.36423 17.17736 
1 1 1  -34    2   20 o   88.744   7.2491  3255.85  517.791  3249.21  707.363  3263.51  760.000   87.924   10.091   87.880   10.884 0.4399109E-01 14.84197 
1 1 1  -34    2   21 o  131.517   7.7041  7166.69  819.114  8000.93  1131.81  6249.17  1186.96  137.977   10.174  120.911   12.260 17.06618 15.93159 
1 1 1  -34    2   22 o   34.354   11.542  480.146  380.264  801.011  486.382 -24.3564  609.884   42.762   12.918   30.492   13.245 12.27020 18.50203 
1 1 1  -34    2   23 o   27.771   11.147  186.279  383.465   22.204  494.398  434.025  607.517   27.960   12.035   36.471   14.220 -8.511705 18.62964 
1 1 1  -34    2   24 o   99.778   8.7158  4273.73  699.035  4459.63  910.987  4007.52  1090.12  100.067   11.416   91.889   15.138 8.178741 18.96034 
1 1 1  -34    2   25 o   65.108   10.730  1940.93  547.487  2394.90  677.920  1089.57  928.365   71.401   12.127   46.354   17.709 25.04712 21.46302 
1 1 1  -34    2   26 o   24.995   11.993 -617.8061  703.211   0.0000   0.0000 -617.8061  703.211  ?   ?    24.995   11.993 0.000000 11.99333 
1 1 1  -34    4    1 o  412.490   20.326 69243.41  6807.79 67697.85  9447.62 70912.68  9818.43  406.363   28.820  415.886   29.262 -9.523438 41.07154 
1 1 1  -34    4    2 o  1117.81   78.281 527994.50 70601.53 527994.50 70601.53   0.0000   0.0000  1117.81   78.281  ?   ?  0.000000 78.28105 
1 1 1  -34    4    3 o  1045.26   73.000 459952.41 61567.07 459952.41 61567.07   0.0000   0.0000  1045.26   73.000  ?   ?  0.000000 73.00000 
1 1 1  -34    4    4 o  496.085   24.056 100280.30  9689.82 99569.33 13761.59 100979.50 13646.09  492.164   34.658  495.747   34.108 -3.583679 48.62666 
1 1 1  -34    4    5 f  882.399   43.224 320154.31 30969.19 289858.81 43849.37 350305.69 43744.91  830.476   65.561  916.233   59.116 -85.75720 88.27764 
1 1 1  -34    4    6 o  463.189   23.022 87460.58  8658.42 76776.98 12289.18 97991.41 12201.01  431.366   35.398  488.522   30.919 -57.15576 47.00003 
1 1 1  -34    4    7 o  899.309   35.928 332420.59 26235.21 285599.19 45503.34 355734.69 32109.38  817.594   69.193  927.998   42.613 -110.4043 81.26237 
1 1 1  -34    4    8 o  284.790   14.654 33106.22  3377.06   0.0000   0.0000 33106.22  3377.06  ?   ?   284.790   14.654 0.000000 14.65382 
1 1 1  -34    4    9 o  237.761   10.227 22992.91  1974.43 27107.33  3470.94 21024.64  2400.68  257.228   16.709  226.848   13.089 30.37909 21.22532 
1 1 1  -34    4   10 o  703.272   27.681 204302.41 15807.02 223819.20 27418.53 194586.70 19345.48  723.261   46.942  682.004   35.053 41.25684 58.58582 
1 1 1  -34    4   11 o  557.311   19.069 127303.70  8629.09 135680.80 12192.56 118896.80 12214.23  572.946   26.209  534.888   28.223 38.05737 38.51534 
1 1 1  -34    4   12 o  493.426   19.070 99930.89  7640.19 97877.33  9346.84 104065.70 13262.89  486.911   23.642  497.166   33.043 -10.25525 40.62954 
1 1 1  -34    4   13 o  547.565   19.209 123309.80  8540.48 119661.40 12064.50 126974.70 12091.67  534.954   27.871  552.208   26.968 -17.25378 38.78246 
1 1 1  -34    4   14 o  454.712   16.222 84864.73  5989.38 86373.42  8455.47 83345.44  8485.13  455.738   22.923  447.418   23.438 8.320404 32.78424 
1 1 1  -34    4   15 o  361.130   13.155 53403.25  3857.25 54539.28  5437.06 52252.13  5473.06  362.985   18.509  355.070   19.053 7.914764 26.56319 
1 1 1  -34    4   16 o  150.537   7.1752  9229.05  877.036  9033.04  1205.21  9449.68  1278.68  148.371   10.064  151.709   10.444 -3.337860 14.50353 
1 1 1  -34    4   17 o  238.433   9.2178 23240.62  1784.57 22674.96  2505.85 23822.75  2542.05  234.303   13.226  240.221   13.082 -5.917953 18.60264 
1 1 1  -34    4   18 o  205.434   8.7492 17294.07  1459.42 16177.34  2008.81 18542.37  2123.84  197.333   12.603  211.380   12.429 -14.04684 17.70070 
1 1 1  -34    4   19 o   54.279   8.1157  1235.63  346.699  1131.86  437.640  1410.50  568.116   51.347   10.837   57.092   12.593 -5.745220 16.61461 
1 1 1  -34    4   20 o  125.739   7.4525  6523.18  757.475  6630.32  1048.21  6406.09  1095.83  125.849   10.350  123.430   11.051 2.419571 15.14081 
1 1 1  -34    4   21 o   46.227   10.873  932.329  401.257  1061.68  496.786  689.558  680.576   49.088   12.446   42.512   15.364 6.575760 19.77290 
1 1 1  -34    4   22 o  149.629   8.0910  9343.76  979.357  8993.29  1363.29  9717.51  1407.83  144.665   11.706  150.472   11.613 -5.806961 16.48917 
1 1 1  -34    4   23 o  118.306   8.1083  5896.02  774.188  5663.85  1050.45  6172.06  1145.44  113.886   11.518  118.526   12.070 -4.640297 16.68414 
1 1 1  -34    4   24 o   42.875   11.263  840.268  397.183  744.344  467.683  1088.45  752.271   40.399   12.751   47.710   16.234 -7.311611 20.64264 
1 1 1  -34    4   25 o   60.377   10.494  1670.65  495.803  1582.68  603.721  1852.89  868.954   56.820   13.318   58.294   17.187 -1.474365 21.74329 
1 1 1  -34    4   26 o   37.954   15.508  693.776  757.550   0.0000   0.0000  693.776  757.550  ?   ?    37.954   15.508 0.000000 15.50849 
1 1 1  -34    6    1 o  730.352   51.130 220950.30 30129.64   0.0000   0.0000 220950.30 30129.64  ?   ?   730.352   51.130 0.000000 51.12951 
1 1 1  -34    6    2 o  560.017   38.854 129096.60 17558.17 129096.60 17558.17   0.0000   0.0000  560.017   38.854  ?   ?  0.000000 38.85392 
1 1 1  -34    6    3 o  1183.69   83.495 596552.31 79734.64 596552.31 79734.64   0.0000   0.0000  1183.69   83.495  ?   ?  0.000000 83.49541 
1 1 1  -34    6    4 o  263.528   13.883 28309.26  2960.14 24001.51  4215.20 32500.73  4157.92  241.796   21.701  282.035   18.254 -40.23918 28.35767 
1 1 1  -34    6    5 o  671.326   32.479 184418.00 17704.27 170694.91 25055.23 198102.50 25020.04  641.049   48.495  691.969   44.771 -50.92023 66.00133 
1 1 1  -34    6    6 o  803.177   32.476 264351.31 21179.58 227203.20 36741.43 282838.69 25919.38  733.183   62.307  829.231   38.496 -96.04724 73.24023 
1 1 1  -34    6    7 o  238.859   10.192 23190.38  1976.70 23940.48  3474.44 22831.40  2403.61  241.744   17.826  236.598   12.557 5.146027 21.80481 
1 1 1  -34    6    8 o  288.701   15.015 34045.48  3507.64   0.0000   0.0000 34045.48  3507.64  ?   ?   288.701   15.015 0.000000 15.01513 
1 1 1  -34    6    9 o  150.796   7.7977  9267.72  951.498  7589.04  1725.46 10001.26  1140.60  135.449   15.998  156.569   9.0100 -21.12000 18.36050 
1 1 1  -34    6   10 o  368.842   15.038 55534.68  4503.69 60151.03  7851.23 53270.71  5498.25  381.105   25.519  360.203   18.865 20.90253 31.73516 
1 1 1  -34    6   11 o  370.069   15.081 55946.90  4531.62 59419.19  7898.68 54243.21  5532.75  378.273   25.872  363.290   18.821 14.98227 31.99335 
1 1 1  -34    6   12 o  277.677   14.790 31606.94  3322.53 29362.87  4738.58 33777.16  4659.94  266.006   22.140  285.918   20.202 -19.91241 29.97211 
1 1 1  -34    6   13 f  185.809   7.3191 14044.26  1104.24 14706.62  1548.66 13359.24  1574.94  189.706   10.090  180.694   10.784 9.011749 14.76816 
1 1 1  -34    6   14 o  431.758   15.084 76433.43  5288.19 73999.18  7464.15 78886.66  7493.20  422.023   21.857  436.568   21.139 -14.54514 30.40700 
1 1 1  -34    6   15 o  246.340   9.7991 24759.88  1960.01 26160.69  2756.84 23328.07  2787.16  252.298   13.506  237.983   14.493 14.31541 19.81060 
1 1 1  -34    6   16 o  131.552   6.8505  7066.15  729.214  6394.98  989.420  7864.23  1078.91  124.734   9.8493  138.431   9.6593 -13.69700 13.79527 
1 1 1  -34    6   17 o  367.818   13.350 55795.82  3987.05 55976.23  5619.60 55612.96  5657.69  365.044   19.025  363.727   19.225 1.317383 27.04744 
1 1 1  -34    6   18 o  126.617   7.0509  6571.65  722.020  6801.64  971.913  6288.40  1078.58  128.353   9.3910  123.025   10.911 5.327980 14.39556 
1 1 1  -34    6   19 o  190.269   8.1814 14881.20  1263.96 14828.35  1770.39 14936.15  1805.12  188.418   11.629  189.016   11.821 -0.5986481 16.58215 
1 1 1  -34    6   20 o  116.291   7.3119  5582.65  686.908  5681.98  942.635  5470.18  1003.05  116.476   10.066  113.941   10.978 2.534851 14.89406 
1 1 1  -34    6   21 o  227.562   9.8837 21664.85  1826.24 22001.11  2554.16 21313.13  2612.20  225.625   14.011  221.478   14.608 4.146545 20.24106 
1 1 1  -34    6   22 o  179.337   8.6740 13452.68  1263.06 13050.66  1725.75 13916.46  1853.56  173.709   12.315  178.926   12.844 -5.217346 17.79408 
1 1 1  -34    6   23 o   46.319   10.801  958.170  398.743  759.937  469.956  1467.66  753.419   41.259   12.744   55.568   15.896 -14.30879 20.37395 
1 1 1  -34    6   24 o   31.253   11.298  386.774  368.086  490.596  413.624  -8.3838  806.948   34.181   12.019   33.540   14.878 0.6403847 19.12603 
1 1 1  -34    6   25 o  108.042   9.3043  5188.24  808.272  5056.15  1010.88  5422.39  1345.84  103.480   12.270  101.237   16.973 2.243462 20.94398 
1 1 1  -34    6   26 o   34.389   15.666  214.225  964.216   0.0000   0.0000  214.225  964.216  ?   ?    34.389   15.666 0.000000 15.66618 
1 1 1  -34    8    1 o  868.436   60.909 315045.50 42677.80   0.0000   0.0000 315045.50 42677.80  ?   ?   868.436   60.909 0.000000 60.90918 
1 1 1  -34    8    2 o  739.213   51.146 226774.70 30510.01   0.0000   0.0000 226774.70 30510.01  ?   ?   739.213   51.146 0.000000 51.14606 
1 1 1  -34    8    3 o  569.023   39.518 133536.59 18145.33   0.0000   0.0000 133536.59 18145.33  ?   ?   569.023   39.518 0.000000 39.51831 
1 1 1  -34    8    4 o  918.872   44.322 348069.81 33068.61 343815.50 46794.13 352314.00 46738.09  903.696   64.190  915.304   63.276 -11.60736 90.13437 
1 1 1  -34    8    5 o  691.855   33.277 196282.80 18694.01 206359.80 26455.37 186233.20 26419.32  704.622   46.502  668.361   49.024 36.26105 67.57065 
1 1 1  -34    8    6 o  349.617   17.681 49925.69  5002.83 46537.68  7089.99 53285.32  7060.25  336.276   26.173  360.286   24.276 -24.00931 35.69756 
1 1 1  -34    8    7 o  189.062   9.0353 14528.83  1387.03  8654.84  2462.54 17258.29  1678.63  143.935   21.749  206.029   10.034 -62.09410 23.95213 
1 1 1  -34    8    8 o  515.042   25.465 108989.00 10649.37   0.0000   0.0000 108989.00 10649.37  ?   ?   515.042   25.465 0.000000 25.46494 
1 1 1  -34    8    9 o  583.942   23.285 140137.70 11040.58 150810.50 19190.10 134857.09 13498.30  597.678   39.770  570.131   29.257 27.54614 49.37255 
1 1 1  -34    8   10 o  406.910   16.903 67714.14  5584.82 63776.76  9740.53 69642.43  6816.54  390.430   30.980  411.983   20.377 -21.55307 37.08101 
1 1 1  -34    8   11 o  385.302   15.737 60706.34  4923.28 69147.93  8598.29 56588.71  6005.15  407.887   26.099  370.662   20.027 37.22479 32.89724 
1 1 1  -34    8   12 o  213.668   9.7122 18593.56  1684.99 19380.20  2977.97 18223.13  2043.58  216.778   17.056  211.021   11.976 5.757370 20.84112 
1 1 1  -34    8   13 o  246.411   10.925 24766.24  2185.88 24275.54  3861.31 24997.66  2651.68  241.892   19.834  246.936   13.274 -5.043747 23.86600 
1 1 1  -34    8   14 o  158.963   8.5274 10322.87  1096.64  8860.75  1973.23 10976.29  1319.12  145.815   16.984  163.750   9.9686 -17.93497 19.69374 
1 1 1  -34    8   15 o  119.105   8.3113  5809.23  798.741  6718.33  1498.26  5448.27  944.090  127.043   14.802  115.067   10.211 11.97569 17.98215 
1 1 1  -34    8   16 o  278.150   12.172 31739.84  2748.92 33675.07  4882.42 30841.66  3326.22  282.707   21.429  273.039   15.062 9.667877 26.19260 
1 1 1  -34    8   17 o  233.581   9.1888 22339.68  1742.75 23013.63  2437.76 21635.20  2492.39  235.820   12.779  228.375   13.501 7.444702 18.58968 
1 1 1  -34    8   18 o  163.939   7.7013 11007.32  1025.14 10785.85  1409.58 11255.98  1493.60  161.251   10.829  164.609   11.242 -3.357468 15.60915 
1 1 1  -34    8   19 o  127.632   7.1346  6701.32  736.420  6367.73  1009.56  7080.68  1076.58  123.575   10.151  130.314   10.257 -6.739990 14.43134 
1 1 1  -34    8   20 o  194.740   8.6198 15692.93  1362.98 15916.27  1916.03 15464.14  1939.26  193.937   12.230  190.928   12.580 3.008713 17.54498 
1 1 1  -34    8   21 o   33.142   10.577  456.330  321.104  345.186  365.499  832.286  672.222   31.004   11.251   44.769   15.345 -13.76562 19.02780 
1 1 1  -34    8   22 o  108.328   8.0635  4921.40  704.179  3590.50  872.997  7400.03  1191.37   90.558   12.182  131.063   11.306 -40.50516 16.61968 
1 1 1  -34    8   23 f  133.161   8.1311  7492.80  874.942  7028.67  1164.72  8093.92  1325.52  126.552   11.459  135.193   12.207 -8.641777 16.74275 
1 1 1  -34    8   24 o   86.009   8.9925  3220.02  618.716  3296.85  732.947  3029.54  1154.08   85.844   10.751   75.259   18.910 10.58525 21.75220 
1 1 1  -34    8   25 o   43.260   12.107  914.138  442.040  1061.31  503.697  420.961  922.051   46.143   12.927   37.562   16.302 8.580208 20.80527 
1 1 1  -34   10    1 o  303.030   23.737 37679.42  5793.71   0.0000   0.0000 37679.42  5793.71  ?   ?   303.030   23.737 0.000000 23.73660 
1 1 1  -34   10    2 o  151.867   11.215  9424.54  1373.20 10227.96  1887.05  8520.23  2002.04  157.876   14.897  143.621   17.532 14.25500 23.00602 
1 1 1  -34   10    6 o  464.325   32.890 89380.30 12319.75   0.0000   0.0000 89380.30 12319.75  ?   ?   464.325   32.890 0.000000 32.88975 
1 1 1  -34   10    7 o  386.923   27.805 61951.96  8677.28   0.0000   0.0000 61951.96  8677.28  ?   ?   386.923   27.805 0.000000 27.80520 
1 1 1  -34   10    8 o  332.041   16.858 45154.04  4530.05   0.0000   0.0000 45154.04  4530.05  ?   ?   332.041   16.858 0.000000 16.85776 
1 1 1  -34   10    9 o  200.701   10.864 16448.68  1763.89   0.0000   0.0000 16448.68  1763.89  ?   ?   200.701   10.864 0.000000 10.86438 
1 1 1  -34   10   10 o  176.126   9.0194 12655.00  1285.52 12116.75  2373.40 12878.46  1529.27  171.196   17.312  177.510   10.660 -6.313187 20.33061 
1 1 1  -34   10   11 o  325.632   13.508 43296.76  3571.51 46341.17  6298.01 41853.62  4336.16  334.218   23.355  319.234   16.788 14.98450 28.76216 
1 1 1  -34   10   12 o  114.243   7.5647  5332.87  697.744  6110.50  1429.57  5089.69  799.433  121.318   14.821  111.453   8.9083 9.865311 17.29182 
1 1 1  -34   10   13 o  186.448   50.756 16200.52  7890.23   0.0000   0.0000 16200.52  7890.23  ?   ?   186.448   50.756 0.000000 50.75607 
1 1 1  -34   10   14 o  398.918   16.475 65487.93  5336.23 65439.83  9346.57 65511.18  6499.67  391.983   29.584  397.156   20.222 -5.172455 35.83515 
1 1 1  -34   10   15 o  289.238   12.545 34290.95  2946.33 34443.99  5215.04 34219.19  3570.82  286.016   22.641  287.870   15.332 -1.853241 27.34378 
1 1 1  -34   10   16 o  184.057   9.4845 13890.14  1412.63 13505.25  2624.66 14047.10  1676.10  179.108   18.305  184.736   11.227 -5.627960 21.47370 
1 1 1  -34   10   17 o  110.352   9.6550  5035.57  856.396  3127.04  1579.33  5830.48  1019.26   83.783   22.666  118.570   10.702 -34.78652 25.06608 
1 1 1  -34   10   18 o  241.765   11.530 24261.13  2263.43 27184.86  4247.05 23101.28  2674.96  248.800   21.226  234.253   14.130 14.54753 25.49905 
1 1 1  -34   10   19 o  101.236   9.8818  4287.60  801.931  4777.26  1826.67  4170.70  892.541  101.219   22.776   99.401   11.257 1.818260 25.40645 
1 1 1  -34   10   20 o   86.275   11.090  3171.48  758.884  2041.79  1814.07  3411.11  835.504   67.985   25.005   89.246   11.821 -21.26132 27.65824 
1 1 1  -34   10   21 o  127.268   11.252  6919.12  1150.73  8421.22  2669.12  6576.19  1275.34  127.523   26.637  123.073   12.957 4.450211 29.62079 
1 1 1  -34   10   22 o   75.420   8.5075  2413.62  511.881  2120.65  603.925  3161.07  964.627   69.617   11.053   83.199   14.823 -13.58124 18.49012 
1 1 1  -34   10   23 o   95.093   8.6522  3867.84  660.748  3805.97  773.279  4035.24  1271.92   93.304   10.383   90.173   18.002 3.131165 20.78193 
1 1 1  -34   10   24 o   78.554   9.0238  2707.33  565.121  2422.35  648.562  3606.01  1151.73   72.742   11.351   83.000   17.634 -10.25845 20.97142 
1 1 1  -34   10   25 o   29.947   11.169  372.226  364.336  226.678  384.505  1651.41  1139.90   27.311   11.092   50.789   19.569 -23.47783 22.49337 
1 1 1  -34   12    1 o  386.188   21.153 61054.33  6607.73   0.0000   0.0000 61054.33  6607.73  ?   ?   386.188   21.153 0.000000 21.15291 
1 1 1  -34   12    2 o  465.928   20.335 88588.57  7693.28 89762.25 13447.72 88017.56  9379.85  465.178   35.881  463.153   25.035 2.024994 43.75128 
1 1 1  -34   12    3 o  209.017   12.868 17842.89  2173.21 14006.01  3232.91 21006.00  2935.36  183.843   22.100  226.512   16.064 -42.66849 27.32182 
1 1 1  -34   12    4 o  357.626   19.511 52371.69  5644.21 41474.77  8118.46 62566.16  7852.43  315.645   32.124  389.990   24.928 -74.34518 40.66169 
1 1 1  -34   12    5 o  503.940   36.250 105920.40 14733.76 105920.40 14733.76   0.0000   0.0000  503.940   36.250  ?   ?  0.000000 36.24999 
1 1 1  -34   12    6 o  426.079   30.979 75470.09 10644.19 75470.09 10644.19   0.0000   0.0000  426.079   30.979  ?   ?  0.000000 30.97893 
1 1 1  -34   12    7 o  1030.59   79.893 494198.50 66332.48 494198.50 66332.48   0.0000   0.0000  1030.59   79.893  ?   ?  0.000000 79.89291 
1 1 1  -34   12    8 o   33.123   14.298 -83.0403  701.797 -83.0403  701.797   0.0000   0.0000   33.123   14.298  ?   ?  0.000000 14.29833 
1 1 1  -34   12    9 o  106.183   10.367  4634.12  882.373   0.0000   0.0000  4634.12  882.373  ?   ?   106.183   10.367 0.000000 10.36656 
1 1 1  -34   12   10 o  350.988   25.122 51220.45  7112.06   0.0000   0.0000 51220.45  7112.06  ?   ?   350.988   25.122 0.000000 25.12155 
1 1 1  -34   12   11 o  444.541   31.836 83435.52 11415.09   0.0000   0.0000 83435.52 11415.09  ?   ?   444.541   31.836 0.000000 31.83566 
1 1 1  -34   12   12 o  164.164   13.859 11102.26  1830.04   0.0000   0.0000 11102.26  1830.04  ?   ?   164.164   13.859 0.000000 13.85876 
1 1 1  -34   12   13 o  341.186   17.305 48041.45  4778.39   0.0000   0.0000 48041.45  4778.39  ?   ?   341.186   17.305 0.000000 17.30518 
1 1 1  -34   12   14 o  379.167   19.145 59699.50  5875.16   0.0000   0.0000 59699.50  5875.16  ?   ?   379.167   19.145 0.000000 19.14509 
1 1 1  -34   12   15 o  182.016   11.364 13624.07  1671.06   0.0000   0.0000 13624.07  1671.06  ?   ?   182.016   11.364 0.000000 11.36373 
1 1 1  -34   12   16 f   83.680   11.720  2935.12  774.484   0.0000   0.0000  2935.12  774.484  ?   ?    83.680   11.720 0.000000 11.72008 
1 1 1  -34   12   17 o  113.493   11.211  5371.70  1019.63   0.0000   0.0000  5371.70  1019.63  ?   ?   113.493   11.211 0.000000 11.21118 
1 1 1  -34   12   18 o  193.993   12.439 15788.38  1948.94   0.0000   0.0000 15788.38  1948.94  ?   ?   193.993   12.439 0.000000 12.43852 
1 1 1  -34   12   19 o   77.527   13.490  2611.77  818.353   0.0000   0.0000  2611.77  818.353  ?   ?    77.527   13.490 0.000000 13.49013 
1 1 1  -34   12   20 o   24.209   11.285 -465.4220  543.147   0.0000   0.0000 -465.4220  543.147  ?   ?    24.209   11.285 0.000000 11.28533 
1 1 1  -34   12   21 o   30.894   13.247   41.157  594.754   0.0000   0.0000   41.157  594.754  ?   ?    30.894   13.247 0.000000 13.24725 
1 1 1  -34   12   22 o   25.589   11.668 -266.8476  536.484   0.0000   0.0000 -266.8476  536.484  ?   ?    25.589   11.668 0.000000 11.66829 
1 1 1  -34   12   23 f  105.946   17.175  5541.17  1426.90   0.0000   0.0000  5541.17  1426.90  ?   ?   105.946   17.175 0.000000 17.17511 
1 1 1  -34   12   24 o   21.782   10.861 -1684.6880  773.667   0.0000   0.0000 -1684.6880  773.667  ?   ?    21.782   10.861 0.000000 10.86082 
1 1 1  -34   12   25 o   31.496   14.669 -159.3406  914.175   0.0000   0.0000 -159.3406  914.175  ?   ?    31.496   14.669 0.000000 14.66867 
1 1 1  -34   14    1 o  1060.89   79.731 508246.69 68178.45   0.0000   0.0000 508246.69 68178.45  ?   ?   1060.89   79.731 0.000000 79.73106 
1 1 1  -34   14    2 f  434.530   23.413 77611.48  8230.19 67249.59 11887.50 87150.83 11405.92  400.644   36.959  458.531   30.814 -57.88782 48.11936 
1 1 1  -34   14    3 o  429.909   22.353 75927.20  7775.92 72262.70 11227.92 79304.80 10779.42  416.329   33.498  437.197   30.558 -20.86749 45.34169 
1 1 1  -34   14    4 o  291.017   16.352 34673.16  3848.16 30084.67  5625.42 38708.77  5275.64  269.200   26.062  306.678   21.319 -37.47769 33.67096 
1 1 1  -34   14    5 o  422.678   22.605 73527.55  7729.93 62149.41 11098.97 84244.99 10771.91  384.426   35.976  450.399   29.620 -65.97281 46.60057 
1 1 1  -34   14    6 o  214.647   12.974 18845.14  2250.50 15945.37  3321.05 21307.45  3060.31  196.064   21.199  227.770   16.663 -31.70560 26.96365 
1 1 1  -34   14    7 o  298.552   22.292 36829.43  5364.87   0.0000   0.0000 36829.43  5364.87  ?   ?   298.552   22.292 0.000000 22.29180 
1 1 1  -34   14    8 o  376.344   19.831 58274.57  6038.69 52520.00  8658.68 63724.11  8426.07  354.024   30.417  391.548   26.662 -37.52390 40.44839 
1 1 1  -34   14    9 f  197.871   11.928 16021.34  1907.44 17127.25  2815.10 15082.67  2593.54  203.780   17.174  191.195   16.880 12.58482 24.08010 
1 1 1  -34   14   10 f  308.720   11.740 38876.39  2942.76 51240.13  5342.12 33490.25  3525.96  352.672   18.722  285.678   15.256 66.99323 24.15102 
1 1 1  -34   14   11 o  359.168   17.792 53021.50  5188.74 56603.69  7574.10 49853.61  7122.66  367.922   25.511  345.150   25.598 22.77231 36.13940 
1 1 1  -34   14   12 o  270.019   13.633 29922.68  2979.32 35395.24  4452.76 25486.79  4008.89  292.353   18.858  247.531   20.120 44.82195 27.57651 
1 1 1  -34   14   13 o  111.772   9.8857  5137.32  887.927  7140.00  1689.53  4373.10  1043.68  130.744   16.267  102.568   12.811 28.17544 20.70589 
1 1 1  -34   14   14 o  159.245   11.057 10425.88  1420.81 11794.76  2419.98  9705.82  1755.16  167.775   18.048  152.964   14.297 14.81004 23.02494 
1 1 1  -34   14   15 o   24.651   11.503 -535.2175  566.630  509.601  1366.10 -752.3204  622.723   51.464   20.904   24.525   11.632 26.93933 23.92285 
1 1 1  -34   14   16 o  171.844   12.774 12296.17  1769.58  8664.48  2792.14 14734.20  2287.71  138.720   25.737  187.268   15.176 -48.54828 29.87769 
1 1 1  -34   14   17 o  138.354   12.337  8030.28  1371.42  7157.00  2381.81  8463.39  1677.38  124.993   24.344  141.063   14.869 -16.06950 28.52530 
1 1 1  -34   14   18 o   59.819   16.811  1588.35  850.400  2085.22  1493.52  1349.97  1034.47   68.478   22.876   56.537   19.038 11.94119 29.76114 
1 1 1  -34   14   19 o  106.035   14.722  4909.10  1233.28  6116.62  1984.94  4149.87  1573.94  113.916   22.258   94.014   21.133 19.90141 30.69201 
1 1 1  -34   14   20 o   56.001   19.308  1389.02  1064.96  2722.35  1719.43  559.198  1356.46   73.904   24.539   49.028   20.460 24.87555 31.95010 
1 1 1  -34   14   21 o   81.826   20.646  3336.80  1371.68  2114.48  2495.52  3865.97  1641.96   67.245   27.881   86.335   23.007 -19.09059 36.14751 
1 1 1  -34   14   22 o   99.792   18.931  4958.88  1477.85  4542.50  2907.27  5103.97  1716.12   79.629   31.091   97.947   22.103 -18.31834 38.14699 
1 1 1  -34   14   23 o   55.178   25.748  1168.84  2838.37  1168.84  2838.37   0.0000   0.0000   55.178   25.748  ?   ?  0.000000 25.74771 
1 1 1  -34   16    1 o  568.601   27.631 133320.30 12756.92   0.0000   0.0000 133320.30 12756.92  ?   ?   568.601   27.631 0.000000 27.63120 
1 1 1  -34   16    2 o  511.024   20.645 106974.00  8566.36 109323.80 15048.95 105847.70 10419.13  510.586   36.541  507.194   25.300 3.392120 44.44458 
1 1 1  -34   16    3 o  435.701   19.048 77681.17  6738.67 76594.37 11791.91 78208.22  8211.61  427.643   34.247  435.730   23.294 -8.087067 41.41839 
1 1 1  -34   16    4 o  705.323   37.314 208930.91 21293.71 182709.09 30370.88 234283.41 29863.25  643.848   58.741  737.271   50.184 -93.42291 77.25906 
1 1 1  -34   16    5 o  644.581   32.024 172882.91 16760.44 173187.20 23922.91 172589.59 23488.74  635.065   46.722  634.567   45.897 0.4978027 65.49383 
1 1 1  -34   16    6 o  337.018   24.908 47099.68  6767.74   0.0000   0.0000 47099.68  6767.74  ?   ?   337.018   24.908 0.000000 24.90806 
1 1 1  -34   16    7 o  227.300   13.690 21161.68  2514.75 19592.20  3795.25 22390.06  3357.60  217.173   21.818  233.122   17.874 -15.94974 28.20468 
1 1 1  -34   16    8 o  226.331   12.876 20970.84  2356.46 25552.22  3559.98 17398.06  3143.78  249.049   17.720  204.990   19.108 44.05928 26.05989 
1 1 1  -34   16    9 f  164.257   11.619 11059.27  1539.66  9163.94  2374.20 12434.85  2022.64  147.864   20.311  173.792   14.465 -25.92833 24.93561 
1 1 1  -34   16   10 o  301.391   16.976 37408.75  4137.44 32813.64  6166.60 41170.88  5579.75  278.927   27.590  314.761   21.970 -35.83395 35.26856 
1 1 1  -34   16   11 o  299.665   12.635 36717.04  3074.21 37189.42  5655.50 36518.92  3662.57  298.127   23.555  298.012   15.186 0.1149292 28.02616 
1 1 1  -34   16   12 o  173.014   9.2429 12240.64  1293.76 11823.51  2630.95 12373.68  1485.82  167.911   19.670  173.762   10.582 -5.850693 22.33545 
1 1 1  -34   16   13 o  245.861   11.134 24731.53  2222.60 26998.72  4240.50 23872.76  2609.81  253.694   20.768  240.779   13.402 12.91533 24.71683 
1 1 1  -34   16   14 o  113.205   8.8382  5267.42  805.955  5347.24  1954.77  5251.08  884.647  110.666   22.520  112.879   9.7477 -2.212524 24.53926 
1 1 1  -34   16   15 o   69.376   11.674  2036.28  634.276  4042.05  1640.28  1683.63  687.778   95.502   21.652   62.525   13.907 32.97676 25.73337 
1 1 1  -34   16   16 o  130.740   9.8696  7083.03  1039.99  2871.32  2318.36  8144.08  1163.64   81.235   28.460  140.118   10.300 -58.88301 30.26682 
1 1 1  -34   16   17 o   44.579   14.359  825.266  590.770  2468.79  1654.19  584.997  632.480   73.895   24.047   40.535   14.786 33.36037 28.22935 
1 1 1  -34   16   18 o   43.559   14.151  792.608  572.929  874.049  1787.97  783.289  604.822   57.592   23.713   43.644   14.557 13.94783 27.82460 
1 1 1  -34   16   19 o  101.245   11.389  4376.74  920.007  6135.36  2335.26  4053.65  1000.96  109.764   26.502   96.643   13.093 13.12112 29.56020 
1 1 1  -34   16   20 o   87.112   12.967  3340.21  889.212  3887.74  2431.43  3255.67  955.395   83.059   29.143   85.297   14.301 -2.237434 32.46315 
1 1 1  -34   16   21 o   28.146   12.915 -359.0047  671.091 -2323.7510  2318.08 -179.2726  701.114   43.365   21.044   30.527   13.683 12.83769 25.10082 
1 1 1  -34   16   22 f   76.163   20.007  3093.97  1253.25  4358.04  2930.17  2810.96  1386.46   74.773   30.521   70.626   21.902 4.147629 37.56641 
1 1 1  -34   16   23 o   63.773   21.714  2554.60  1345.93   0.0000   0.0000  2554.60  1345.93  ?   ?    63.773   21.714 0.000000 21.71396 
1 1 1  -34   16   24 o   47.449   19.713  1448.86  1251.20   0.0000   0.0000  1448.86  1251.20  ?   ?    47.449   19.713 0.000000 19.71305 
1 1 1  -34   18    1 o  335.510   18.450 46206.02  5007.01   0.0000   0.0000 46206.02  5007.01  ?   ?   335.510   18.450 0.000000 18.45045 
1 1 1  -34   18    2 f  276.543   13.312 31182.08  2989.10 35516.51  5448.13 29315.48  3575.25  293.003   23.087  267.322   16.553 25.68094 28.40795 
1 1 1  -34   18    3 o  367.250   16.767 55145.24  4999.96 49522.39  8860.97 57771.85  6056.21  343.416   32.152  374.826   19.971 -31.41064 37.84960 
1 1 1  -34   18    4 o  204.279   11.529 17055.04  1904.52 20599.51  3396.46 15429.42  2300.17  223.423   18.900  193.842   14.724 29.58086 23.95816 
1 1 1  -34   18    5 o  325.464   24.513 43966.50  6430.44   0.0000   0.0000 43966.50  6430.44  ?   ?   325.464   24.513 0.000000 24.51320 
1 1 1  -34   18    6 o  525.377   27.201 114856.80 11563.90 110135.20 16619.01 119288.70 16100.94  506.874   40.724  529.611   37.688 -22.73721 55.48689 
1 1 1  -34   18    7 o  292.401   16.252 35118.68  3843.31 35455.83  5699.21 34837.47  5204.90  291.749   24.279  289.752   22.294 1.996887 32.96206 
1 1 1  -34   18    8 o  115.310   11.380  5475.51  1051.57  4806.13  1816.38  5812.97  1289.69  106.019   21.827  118.490   13.655 -12.47095 25.74658 
1 1 1  -34   18    9 o  166.394   12.092 11365.54  1622.60 11917.68  2636.44 11028.88  2058.69  168.951   19.582  163.274   15.723 5.676514 25.11275 
1 1 1  -34   18   10 o  332.263   17.857 45596.10  4799.94 47799.93  7065.45 43707.23  6541.12  337.062   26.017  322.596   25.171 14.46643 36.20090 
1 1 1  -34   18   11 o  283.366   11.963 32843.01  2752.58 35784.28  5252.19 31729.24  3231.99  292.326   22.296  277.701   14.383 14.62512 26.53237 
1 1 1  -34   18   12 o  216.447   11.348 19226.16  1987.45 11868.20  3943.20 21731.91  2301.11  163.889   30.762  229.930   12.371 -66.04071 33.15604 
1 1 1  -34   18   13 o  248.228   12.091 25314.54  2436.96 20413.88  4720.07 27095.65  2845.55  216.247   27.504  256.022   13.739 -39.77493 30.74459 
1 1 1  -34   18   14 o   91.241   9.1647  3444.80  669.786  2950.61  1781.85  3526.12  722.794   81.817   24.728   92.197   9.8057 -10.37992 26.60124 
1 1 1  -34   18   15 o  256.309   12.435 27286.59  2587.84 24479.83  5017.50 28303.80  3020.60  232.073   27.140  259.698   14.381 -27.62462 30.71436 
1 1 1  -34   18   16 o  118.188   9.6548  5807.03  918.431  4136.81  2265.75  6135.42  1004.67   92.961   27.837  121.313   10.297 -28.35223 29.68007 
1 1 1  -34   18   17 o   51.163   13.513  1147.62  569.694  4158.57  1884.13  844.649  597.670   93.111   24.566   44.870   14.441 48.24159 28.49594 
1 1 1  -34   18   18 o   64.392   13.771  1835.14  698.231  1939.00  2114.62  1822.44  739.719   68.220   26.549   63.908   14.578 4.312222 30.28825 
1 1 1  -34   18   19 o   45.835   15.553  891.844  690.476  1014.34  2255.12  879.173  725.310   60.505   25.866   45.878   15.927 14.62740 30.37626 
1 1 1  -34   18   20 o  112.592   11.846  5524.90  1066.71  1203.63  2998.44  6151.05  1141.38   63.561   28.406  118.747   12.002 -55.18630 30.83730 
1 1 1  -34   18   21 o   48.265   18.062  1034.37  954.258  3132.98  2352.49  621.058  1044.01   70.549   27.840   43.970   18.114 26.57934 33.21369 
1 1 1  -34   18   22 o   31.742   15.002 -683.5861  1018.43 -567.8277  3008.36 -698.5699  1082.34   49.719   24.091   32.684   15.453 17.03529 28.62136 
1 1 1  -34   18   23 o   36.702   16.378  251.915  992.907   0.0000   0.0000  251.915  992.907  ?   ?    36.702   16.378 0.000000 16.37823 
1 1 1  -34   20    1 o  180.784   13.818 13416.76  2013.06   0.0000   0.0000 13416.76  2013.06  ?   ?   180.784   13.818 0.000000 13.81850 
1 1 1  -34   20    2 o  302.479   17.602 37600.70  4304.36   0.0000   0.0000 37600.70  4304.36  ?   ?   302.479   17.602 0.000000 17.60176 
1 1 1  -34   20    3 o  120.023   11.057  5919.05  1065.43  6397.18  2066.03  5745.83  1243.54  122.964   21.474  117.932   13.214 5.031822 25.21400 
1 1 1  -34   20    4 o  259.085   16.793 27605.59  3513.69   0.0000   0.0000 27605.59  3513.69  ?   ?   259.085   16.793 0.000000 16.79296 
1 1 1  -34   20    5 o  242.645   15.572 24193.25  3051.75 20970.56  4691.42 26557.20  4018.04  223.249   26.391  253.392   19.684 -30.14325 32.92340 
1 1 1  -34   20    6 o  176.808   12.692 12829.47  1809.90 14443.94  2944.63 11849.20  2294.49  186.315   19.766  169.152   16.933 17.16301 26.02792 
1 1 1  -34   20    7 o  212.790   14.310 18611.37  2458.06 15507.61  3856.04 20735.91  3190.28  191.494   25.429  223.962   17.687 -32.46826 30.97519 
1 1 1  -34   20    8 o  185.627   12.934 14156.47  1937.24 14875.64  3098.72 13695.05  2482.09  188.657   20.562  181.772   17.015 6.885086 26.68894 
1 1 1  -34   20    9 o  164.492   21.345 11398.62  2783.64 11398.62  2783.64   0.0000   0.0000  164.492   21.345  ?   ?  0.000000 21.34461 
1 1 1  -34   20   10 o  253.408   15.317 26501.78  3136.73 27040.31  4824.43 26107.43  4128.44  253.145   23.749  249.903   20.527 3.241302 31.39081 
1 1 1  -34   20   11 o   89.566   7.9530  3296.10  572.360  4699.99  2020.00  3173.55  596.819  103.569   24.418   87.799   8.4771 15.76943 25.84804 
1 1 1  -34   20   12 o  190.684   9.9009 14926.09  1527.67 16656.15  3467.94 14509.54  1701.67  197.385   22.013  187.704   11.216 9.682007 24.70587 
1 1 1  -34   20   13 o   72.917   9.2088  2213.13  533.060  2302.04  1868.41  2205.25  556.177   74.608   25.583   72.695   9.6620 1.913803 27.34644 
1 1 1  -34   20   14 o  202.756   11.152 17048.05  1828.85 11635.93  3922.70 18551.17  2067.27  155.816   32.074  211.140   12.109 -55.32410 34.28385 
1 1 1  -34   20   15 o   47.921   12.818  993.920  508.470 -6426.7588  1857.12  1595.28  528.671   29.670   15.047   61.114   11.061 -31.44415 18.67475 
1 1 1  -34   20   16 o   64.075   12.123  1773.72  607.636  3019.78  2194.27  1670.23  632.366   80.211   27.711   61.899   12.996 18.31228 30.60739 
1 1 1  -34   20   17 o  106.761   10.300  4803.11  881.757  5002.26  2666.50  4778.65  934.319   97.176   30.413  106.219   10.992 -9.043243 32.33851 
1 1 1  -34   20   18 o  127.960   10.436  6934.62  1074.84  7991.23  2748.47  6743.86  1167.84  123.139   28.108  125.581   11.584 -2.442818 30.40130 
1 1 1  -34   20   19 o   85.304   11.775  3176.19  793.851  5271.40  2442.41  2928.70  839.428   95.348   28.981   81.158   13.191 14.18997 31.84185 
1 1 1  -34   20   20 o  153.094   11.737 10279.24  1447.85 10953.13  3967.31 10175.70  1555.11  118.537   37.097  151.291   12.779 -32.75407 39.23587 
1 1 1  -34   20   21 o   46.072   18.502  888.458  1057.10  4137.06  3235.90  500.351  1118.47   70.370   30.539   42.584   18.211 27.78534 35.55641 
1 1 1  -34   20   22 o   57.063   20.491  1997.90  1208.37  3672.32  3723.71  1800.82  1277.50   59.423   28.260   54.304   20.767 5.119366 35.07009 
1 1 1  -34   22    1 o  178.333   14.670 13091.70  2105.45   0.0000   0.0000 13091.70  2105.45  ?   ?   178.333   14.670 0.000000 14.67045 
1 1 1  -34   22    2 o  233.623   16.118 22462.19  3038.74   0.0000   0.0000 22462.19  3038.74  ?   ?   233.623   16.118 0.000000 16.11777 
1 1 1  -34   22    3 o  218.171   13.509 19524.69  2381.29 18618.04  4484.60 19880.70  2810.20  209.834   26.944  219.738   15.857 -9.904404 31.26369 
1 1 1  -34   22    4 o  219.829   13.677 19832.76  2429.14 17774.12  4503.60 20677.41  2884.74  204.548   27.839  224.050   15.961 -19.50214 32.09036 
1 1 1  -34   22    5 o  163.613   12.659 11002.13  1668.64  7593.21  3044.16 12466.33  1995.07  132.091   29.163  173.955   14.250 -41.86404 32.45801 
1 1 1  -34   22    6 f  372.731   22.292 57806.04  6715.53 46187.72  9977.94 67427.05  9079.86  325.188   38.539  399.851   28.146 -74.66299 47.72298 
1 1 1  -34   22    7 o  327.133   19.024 44333.16  5031.39 42588.60  7617.81 45683.05  6700.96  315.949   30.057  329.632   25.228 -13.68359 39.24079 
1 1 1  -34   22    8 o  320.655   28.551 43855.63  7355.87 43855.63  7355.87   0.0000   0.0000  320.655   28.551  ?   ?  0.000000 28.55124 
1 1 1  -34   22    9 f  309.813   18.026 39884.02  4515.10 39732.71  6858.62 39999.73  5998.16  304.342   28.071  307.458   24.223 -3.116028 37.07734 
1 1 1  -34   22   10 o   98.195   13.875  4046.85  1075.49  3315.54  2118.15  4300.88  1248.39   87.642   27.053  100.839   15.763 -13.19684 31.31070 
1 1 1  -34   22   11 o   65.181   16.320  1837.39  861.796  3425.39  1874.67  1411.87  970.413   87.936   25.047   58.245   18.365 29.69119 31.05835 
1 1 1  -34   22   12 o   82.139   8.1547  2788.22  536.680  1993.65  2041.06  2847.23  556.253   72.286   26.533   82.973   8.3709 -10.68765 27.82202 
1 1 1  -34   22   13 o  176.057   10.075 12821.47  1434.33 11985.54  3635.59 12975.57  1560.95  160.048   29.046  176.828   10.925 -16.78072 31.03262 
1 1 1  -34   22   14 o   51.942   11.506  1164.45  472.492  1590.84  2352.56  1146.53  482.320   69.423   27.699   51.490   11.790 17.93330 30.10365 
1 1 1  -34   22   15 o   66.625   11.033  1896.45  575.976  633.950  2564.31  1963.53  591.080   63.610   27.395   67.792   11.124 -4.182678 29.56773 
1 1 1  -34   22   16 o  128.932   9.9141  6966.91  1029.94  8310.65  3243.93  6816.27  1086.14  124.603   31.920  127.236   10.610 -2.633224 33.63757 
1 1 1  -34   22   17 o   22.134   10.417 -486.1243  481.689  986.487  2625.96 -537.4001  490.004   63.574   27.550   21.940   10.381 41.63361 29.44111 
1 1 1  -34   22   18 o   76.954   13.742  2650.26  827.147  6159.31  3216.00  2401.69  855.942   97.937   33.564   72.546   15.025 25.39101 36.77361 
1 1 1  -34   22   19 o  112.043   11.134  5466.94  999.504  7332.65  3307.52  5279.44  1048.53  100.857   34.041  109.514   11.987 -8.656670 36.08970 
1 1 1  -34   22   20 o   51.329   19.220  1277.77  1080.87  1875.48  3080.07  1193.83  1154.28   61.136   27.908   50.558   19.632 10.57855 34.12181 
1 1 1  -34   22   21 o  114.816   21.941  7716.23  1970.90  9585.49  4786.33  7334.56  2162.77   76.073   34.752  105.542   25.518 -29.46906 43.11448 
1 1 1  -34   22   22 o   32.399   15.679 -875.7932  1264.14   0.0000   0.0000 -875.7932  1264.14  ?   ?    32.399   15.679 0.000000 15.67863 
1 1 1  -34   24    1 o  262.601   17.560 28481.03  3722.68   0.0000   0.0000 28481.03  3722.68  ?   ?   262.601   17.560 0.000000 17.56026 
1 1 1  -34   24    2 o   67.022   17.267  1916.45  945.459   0.0000   0.0000  1916.45  945.459  ?   ?    67.022   17.267 0.000000 17.26687 
1 1 1  -34   24    3 o  210.517   13.692 18218.44  2327.70 20129.48  4650.64 17579.68  2688.72  217.679   26.883  206.266   16.184 11.41318 31.37881 
1 1 1  -34   24    4 o  303.312   16.224 37921.95  3981.23 34764.59  7378.95 39218.49  4728.53  283.954   32.595  307.606   19.025 -23.65149 37.74112 
1 1 1  -34   24    5 f  334.220   16.140 45958.23  4380.02 53642.97  7987.71 42654.07  5237.67  355.479   27.898  320.171   20.252 35.30814 34.47357 
1 1 1  -34   24    6 o  216.784   13.726 19358.74  2403.57 22669.45  4514.35 18048.91  2839.50  231.256   24.411  208.502   16.918 22.75365 29.70014 
1 1 1  -34   24    7 o  130.966   27.686  7554.51  2852.03  7554.51  2852.03   0.0000   0.0000  130.966   27.686  ?   ?  0.000000 27.68589 
1 1 1  -34   24    8 o  221.263   15.884 20358.63  2834.68 19382.29  4757.58 20896.00  3529.61  210.448   28.582  222.775   19.716 -12.32750 34.72247 
1 1 1  -34   24    9 o  280.122   18.293 32979.32  4137.83 28293.90  6480.42 36204.42  5376.52  250.334   32.660  290.769   22.959 -40.43509 39.92273 
1 1 1  -34   24   10 o  245.012   16.444 25227.64  3252.34 24964.10  5279.13 25388.85  4128.97  236.347   28.057  243.161   21.122 -6.814362 35.11913 
1 1 1  -34   24   11 o   29.667   13.463 -386.4098  703.363  1320.51  1911.78 -653.6234  756.417   64.646   25.220   28.751   13.375 35.89492 28.54702 
1 1 1  -34   24   12 o  199.012   10.826 16436.34  1742.75 11145.28  4230.01 17518.07  1912.62  148.565   35.543  205.180   11.527 -56.61438 37.36516 
1 1 1  -34   24   13 o  111.165   9.0482  5129.29  809.629  3947.96  2840.66  5233.73  844.663   90.717   31.519  112.215   9.3556 -21.49786 32.87828 
1 1 1  -34   24   14 o   46.119   11.859  924.777  446.582  2239.56  2372.11  876.465  454.713   73.527   28.255   44.939   12.164 28.58809 30.76249 
1 1 1  -34   24   15 o   35.870   12.180  511.307  423.488 -1461.5100  2763.36  558.755  428.550   54.177   25.323   37.028   12.249 17.14925 28.12945 
1 1 1  -34   24   16 o  139.718   10.457  8253.80  1177.68  8625.52  4047.56  8219.42  1230.94  115.989   37.608  139.142   10.985 -23.15305 39.17914 
1 1 1  -34   24   17 o  166.179   11.214 11829.62  1504.21 11237.53  4728.39 11896.28  1586.64  121.686   40.703  166.157   11.838 -44.47106 42.38918 
1 1 1  -34   24   18 o   75.785   13.105  2588.27  777.205  5596.26  3988.07  2469.52  792.398   84.680   35.189   73.626   13.761 11.05408 37.78377 
1 1 1  -34   24   19 o   28.987   14.117 -1484.1899  1069.17 -1871.8340  3148.26 -1433.6541  1136.73   49.352   24.078   30.394   14.746 18.95873 28.23434 
1 1 1  -34   24   20 o   41.167   18.553  219.960  1309.20  6325.85  4613.17 -314.8910  1365.34   68.590   32.268   38.366   17.888 30.22403 36.89448 
1 1 1  -34   24   21 o   43.174   19.482  714.512  1448.74   0.0000   0.0000  714.512  1448.74  ?   ?    43.174   19.482 0.000000 19.48214 
1 1 1  -34   26    1 o   38.405   16.166   81.489  858.160   0.0000   0.0000   81.489  858.160  ?   ?    38.405   16.166 0.000000 16.16630 
1 1 1  -34   26    2 o  168.934   16.306 11880.33  2208.88   0.0000   0.0000 11880.33  2208.88  ?   ?   168.934   16.306 0.000000 16.30599 
1 1 1  -34   26    3 o  154.054   16.083  9898.08  1982.13   0.0000   0.0000  9898.08  1982.13  ?   ?   154.054   16.083 0.000000 16.08317 
1 1 1  -34   26    4 o  164.020   14.257 11158.01  1879.87 14852.19  4007.66 10115.90  2128.57  184.697   27.567  155.363   17.160 29.33415 32.47192 
1 1 1  -34   26    5 o  179.212   22.032 13709.29  3138.39 17865.94  4198.33  8444.53  4724.91  203.078   26.062  134.178   40.203 68.89984 47.91156 
1 1 1  -34   26    6 o  354.454   18.091 52604.27  5189.44 52556.07  9551.43 52624.47  6181.37  340.597   35.037  352.182   21.722 -11.58545 41.22446 
1 1 1  -34   26    7 o  163.361   15.712 11199.21  2058.42  9030.92  3887.91 12043.72  2426.40  138.440   34.665  168.630   17.999 -30.18929 39.05912 
1 1 1  -34   26    8 o  105.742   16.615  4787.56  1379.52  1161.52  3099.88  5683.02  1540.46   74.620   31.017  115.280   16.965 -40.65997 35.35361 
1 1 1  -34   26    9 o   91.069   16.907  3597.44  1204.15  1913.67  2719.59  4008.02  1342.96   76.052   29.958   95.916   17.902 -19.86394 34.89929 
1 1 1  -34   26   10 f  110.207   15.897  5217.47  1381.38  7930.85  3158.68  4575.79  1536.06  128.424   30.707  101.804   19.289 26.62038 36.26239 
1 1 1  -34   26   11 o  114.542   15.563  5646.22  1409.98  6680.01  2970.60  5345.59  1601.93  116.421   30.908  110.126   18.576 6.294937 36.06075 
1 1 1  -34   26   12 o   59.861   9.6361  1518.17  452.473  2378.62  2745.98  1494.15  458.743   77.150   30.190   59.318   9.8716 17.83247 31.76322 
1 1 1  -34   26   13 o  170.989   9.9367 12194.44  1373.63 15687.47  4136.70 11761.55  1456.26  177.271   29.796  167.533   10.762 9.738388 31.68059 
1 1 1  -34   26   14 o   69.258   10.199  2044.10  556.355  833.827  3058.69  2085.51  565.793   66.869   29.341   69.947   10.268 -3.078690 31.08582 
1 1 1  -34   26   15 o   78.625   10.178  2636.83  634.516  3722.72  3338.00  2596.12  646.300   82.813   33.009   77.894   10.485 4.918755 34.63373 
1 1 1  -34   26   16 o  150.237   10.280  9604.35  1246.54  8126.46  4430.70  9731.39  1299.01  103.074   38.851  150.969   10.666 -47.89559 40.28837 
1 1 1  -34   26   17 f   51.965   20.650  1094.67  1302.83  7297.69  3719.04  226.956  1390.97   96.554   35.750   44.993   19.763 51.56072 40.84936 
1 1 1  -34   26   18 o   39.663   18.026 -144.7844  1266.97 -141.3904  4159.17 -145.1316  1330.19   58.158   28.214   40.460   18.420 17.69758 33.69454 
1 1 1  -34   26   19 o   34.651   16.505 -821.3832  1280.07 -3317.7981  5064.29 -651.0030  1323.03   50.949   25.723   36.085   17.069 14.86363 30.87086 
1 1 1  -34   26   20 o   87.422   26.041  5895.60  1986.67 -1915.1920  6329.06  6749.31  2092.42   49.181   25.185   94.038   26.349 -44.85704 36.44901 
1 1 1  -34   28    1 o  235.952   19.092 23531.30  3626.47   0.0000   0.0000 23531.30  3626.47  ?   ?   235.952   19.092 0.000000 19.09235 
1 1 1  -34   28    2 o  104.483   33.578  4942.06  3232.11   0.0000   0.0000  4942.06  3232.11  ?   ?   104.483   33.578 0.000000 33.57840 
1 1 1  -34   28    3 o  287.676   33.570 37837.55  7693.89   0.0000   0.0000 37837.55  7693.89  ?   ?   287.676   33.570 0.000000 33.56983 
1 1 1  -34   28    4 o  343.482   18.889 49919.48  5247.93 56944.33 10213.53 47399.55  6117.20  348.443   36.649  331.586   22.860 16.85699 43.19432 
1 1 1  -34   28    5 o  181.335   15.860 13846.12  2311.71 13695.63  4952.48 13888.04  2613.95  167.813   37.312  180.666   18.061 -12.85359 41.45351 
1 1 1  -34   28    6 f   75.027   18.868  2481.30  1148.29  1916.78  2999.96  2578.21  1242.95   78.230   31.257   76.335   19.863 1.894539 37.03392 
1 1 1  -34   28    7 o  113.243   16.705  5516.15  1489.92  7902.11  3931.58  5116.03  1610.00  125.607   36.424  108.107   19.037 17.50060 41.09914 
1 1 1  -34   28    8 o   53.612   18.963  1112.19  1031.08  2696.45  3016.72  902.642  1097.15   82.718   31.844   51.499   19.348 31.21858 37.26151 
1 1 1  -34   28    9 f   50.783   18.594  943.212  1001.45 -6520.9380  3150.70  1782.05  1056.22   45.350   22.496   63.609   18.997 -18.25872 29.44423 
1 1 1  -34   28   10 o  137.600   17.113  8242.83  1870.70  5878.00  4127.30  8854.26  2098.65  105.286   37.864  141.794   18.683 -36.50736 42.22280 
1 1 1  -34   28   11 o   64.204   19.834  1849.71  1138.21 -874.1998  3173.31  2251.90  1219.34   61.435   28.151   70.181   20.266 -8.745987 34.68683 
1 1 1  -34   28   12 o   89.510   19.350  3683.69  1365.35  2709.35  3453.64  3864.19  1486.44   80.184   32.979   91.088   20.583 -10.90424 38.87477 
1 1 1  -34   28   13 o  180.929   10.005 13738.40  1464.13 16222.82  4805.91 13484.23  1537.20  167.462   36.385  178.867   10.632 -11.40555 37.90630 
1 1 1  -34   28   14 o   93.231   9.3382  3673.50  697.404  2737.84  4035.34  3702.30  708.058   77.555   33.874   93.554   9.4506 -15.99910 35.16757 
1 1 1  -34   28   15 o   25.662   10.955   27.391  403.542  1986.67  3819.00   5.2680  405.814   70.661   31.782   25.384   10.915 45.27679 33.60366 
1 1 1  -34   28   16 o   38.518   17.445 -231.1215  1174.04  2519.73  4133.72 -472.4890  1224.47   69.544   31.964   37.625   17.331 31.91899 36.36000 
1 1 1  -34   28   17 o   60.690   22.702  2062.70  1507.30  5831.23  4785.97  1647.75  1588.12   74.358   34.256   56.518   22.685 17.84034 41.08668 
1 1 1  -34   28   18 o   47.227   20.587  880.091  1484.03  2019.12  5082.20  773.915  1551.66   58.136   28.792   46.827   20.708 11.30909 35.46522 
1 1 1  -34   28   19 o   70.507   25.600  4167.36  1892.67  9086.12  6012.93  3626.42  1994.03   59.982   29.966   64.052   25.518 -4.070580 39.35902 
1 1 1  -34   30    1 o  250.026   20.925 27038.86  4209.04   0.0000   0.0000 27038.86  4209.04  ?   ?   250.026   20.925 0.000000 20.92525 
1 1 1  -34   30    2 o  188.305   19.606 15300.13  2953.71   0.0000   0.0000 15300.13  2953.71  ?   ?   188.305   19.606 0.000000 19.60571 
1 1 1  -34   30    3 o  172.289   19.426 12839.60  2670.13   0.0000   0.0000 12839.60  2670.13  ?   ?   172.289   19.426 0.000000 19.42603 
1 1 1  -34   30    4 o   60.330   22.263  1342.10  1439.92   0.0000   0.0000  1342.10  1439.92  ?   ?    60.330   22.263 0.000000 22.26346 
1 1 1  -34   30    5 o   82.067   21.004  3036.05  1405.50  5393.38  3932.36  2690.79  1504.91  104.761   37.035   77.261   22.573 27.49986 43.37187 
1 1 1  -34   30    6 o  156.862   17.111 10602.68  2144.02 16113.63  4980.60  9349.17  2375.38  178.850   35.549  145.283   20.724 33.56700 41.14878 
1 1 1  -34   30    7 o  131.132   17.896  7513.87  1855.74  7778.64  4763.08  7466.48  2014.96  118.364   40.832  129.750   19.749 -11.38531 45.35682 
1 1 1  -34   30    8 o  178.809   17.801 13946.26  2550.16 18597.74  6160.94 12984.54  2801.41  180.176   42.755  170.494   20.658 9.682297 47.48443 
1 1 1  -34   30    9 o  204.965   19.473 18674.08  3201.87 18663.95  6250.51 18677.68  3728.16  176.077   43.878  201.437   23.219 -25.36029 49.64254 
1 1 1  -34   30   10 o  157.234   18.825 11071.17  2355.60  8928.32  5243.27 11613.04  2636.67  117.165   42.599  159.443   20.867 -42.27814 47.43519 
1 1 1  -34   30   11 o  227.173   20.922 23789.10  3815.86 18023.86  7503.98 25799.84  4431.61  146.793   51.216  232.698   23.789 -85.90453 56.47093 
1 1 1  -34   30   12 o  157.048   19.241 11379.68  2402.21  9696.24  5706.33 11742.28  2648.31  110.782   43.472  157.582   21.239 -46.80005 48.38308 
1 1 1  -34   30   13 o  142.189   10.417  8604.36  1194.30  4814.19  5352.55  8802.95  1225.18   85.364   38.065  143.730   10.572 -58.36530 39.50612 
1 1 1  -34   30   14 o   72.135   22.635  2728.07  1475.90  7322.82  4641.10  2211.14  1556.71   92.629   38.179   65.584   23.289 27.04453 44.72187 
1 1 1  -34   30   15 o   53.738   21.321  1299.31  1386.73  4291.81  5497.90  1096.00  1433.06   73.342   34.722   52.000   21.299 21.34210 40.73413 
1 1 1  -34   30   16 o   42.984   19.333  181.932  1413.02  3928.61  5433.02 -89.8861  1463.38   66.280   32.176   41.746   19.125 24.53371 37.43034 
1 1 1  -34   30   17 o   74.728   25.623  4076.99  1874.31  7446.64  6366.46  3757.22  1961.23   63.857   31.728   70.280   25.973 -6.423069 41.00353 
1 1 1  -34   32    1 o   97.336   25.373  4444.46  2025.79   0.0000   0.0000  4444.46  2025.79  ?   ?    97.336   25.373 0.000000 25.37271 
1 1 1  -34   32    2 f   77.091   24.829  2695.25  1766.45   0.0000   0.0000  2695.25  1766.45  ?   ?    77.091   24.829 0.000000 24.82886 
1 1 1  -34   32    3 o   85.467   25.045  3417.72  1850.06   0.0000   0.0000  3417.72  1850.06  ?   ?    85.467   25.045 0.000000 25.04452 
1 1 1  -34   32    4 o  179.529   22.190 14525.00  3165.81   0.0000   0.0000 14525.00  3165.81  ?   ?   179.529   22.190 0.000000 22.19004 
1 1 1  -34   32    5 o   45.125   19.817 -129.8687  1397.81   0.0000   0.0000 -129.8687  1397.81  ?   ?    45.125   19.817 0.000000 19.81688 
1 1 1  -34   32    6 o   46.446   19.688  249.857  1287.18  175.321  5193.17  254.736  1328.64   79.084   36.155   47.090   19.984 31.99387 41.31036 
1 1 1  -34   32    7 o  164.711   19.625 12183.12  2572.90 12423.57  6518.50 12138.74  2800.27  132.328   47.585  162.709   21.739 -30.38086 52.31617 
1 1 1  -34   32    8 o  161.468   20.356 11897.87  2609.52 10778.66  7374.01 12058.09  2790.06  117.210   48.196  161.243   21.875 -44.03304 52.92819 
1 1 1  -34   32    9 o   97.105   22.447  4545.59  1734.47 -11130.7998  6426.42  5777.25  1801.32   60.332   30.262  111.052   20.739 -50.72029 36.68692 
1 1 1  -34   32   10 o   99.581   23.596  4933.77  1878.63  3115.83  5456.94  5178.20  2000.94   83.165   37.643  101.292   24.579 -18.12742 44.95662 
1 1 1  -34   32   11 o   92.477   23.952  4396.78  1812.91  1318.09  6698.09  4640.14  1883.20   77.759   37.232   94.741   24.348 -16.98249 44.48699 
1 1 1  -34   32   12 o  224.622   23.165 25597.11  4164.31 26148.82  9196.18 25454.79  4670.62  131.768   53.960  216.316   27.193 -84.54794 60.42482 
1 1 1  -34   32   13 o   60.658   22.821  1866.19  1527.29 -1854.3600  6065.14  2118.08  1578.14   63.595   31.488   63.406   23.322 0.1886864 39.18406 
1 1 1  -34   32   14 o   30.648   14.902 -1525.3719  1177.81  471.157  5843.84 -1609.9070  1202.48   62.753   31.042   30.691   14.953 32.06252 34.45537 
1 1 1  -34   32   15 o   75.335   25.211  3817.85  1814.09   91.005  6761.77  4106.90  1883.12   58.438   29.530   77.623   25.676 -19.18492 39.13185 
1 1 1  -34   32   16 o   69.762   24.100  3510.39  1659.64  9644.38  7084.72  3154.24  1707.14   62.022   31.200   65.261   24.210 -3.239037 39.49164 
1 1 1  -34   34    1 o  122.728   28.510  7509.40  2786.76   0.0000   0.0000  7509.40  2786.76  ?   ?   122.728   28.510 0.000000 28.50990 
1 1 1  -34   34    2 o  266.680   26.058 33847.51  5570.31   0.0000   0.0000 33847.51  5570.31  ?   ?   266.680   26.058 0.000000 26.05768 
1 1 1  -34   34    3 o  280.216   25.840 37457.73  5813.10   0.0000   0.0000 37457.73  5813.10  ?   ?   280.216   25.840 0.000000 25.84029 
1 1 1  -34   34    4 o   94.709   26.689  4492.29  2140.35   0.0000   0.0000  4492.29  2140.35  ?   ?    94.709   26.689 0.000000 26.68861 
1 1 1  -34   34    5 o  104.241   28.067  5593.00  2428.36   0.0000   0.0000  5593.00  2428.36  ?   ?   104.241   28.067 0.000000 28.06658 
1 1 1  -34   34    6 o  142.208   23.513  9721.80  2620.08 18326.54  8991.90  8923.44  2738.93  133.623   53.857  133.706   26.165 -0.8340454E-01 59.87637 
1 1 1  -34   34    7 o  109.825   24.372  6009.95  2116.55 -6539.3208  8056.22  6940.36  2193.61   72.030   35.772  119.010   23.535 -46.97948 42.81973 
1 1 1  -34   34    8 o   83.249   25.507  3618.68  1886.93 11602.62  7557.00  3087.81  1948.65  107.411   46.642   77.099   26.128 30.31153 53.46154 
1 1 1  -34   34    9 o   73.733   24.968  2844.49  1779.43  3616.42  8407.82  2808.29  1820.67   82.818   40.163   73.245   25.246 9.572899 47.43886 
1 1 1  -34   34   10 o  103.353   26.518  5955.19  2236.34  4087.29  9113.94  6074.86  2306.86   79.671   39.289  103.724   27.094 -24.05267 47.72558 
1 1 1  -34   34   11 o   94.032   26.795  5229.59  2145.07  6723.08  8149.89  5118.43  2223.47   78.626   38.441   91.820   27.594 -13.19386 47.31964 
1 1 1  -34   34   12 o  103.947   27.002  6663.31  2299.50 13183.26  8648.15  6167.27  2385.37   80.951   39.582   97.127   28.431 -16.17642 48.73490 
1 1 1  -34   34   13 o   50.469   21.804  1058.29  1634.53  1717.23  8286.89  1031.61  1667.28   62.050   31.501   50.427   21.903 11.62244 38.36693 
1 1 1  -34   34   14 o   40.448   18.861 -123.6814  1519.13 -7368.4839  8575.30  111.048  1543.55   52.054   26.790   41.958   19.374 10.09562 33.06157 
1 1 1  -34   36    1 o  112.135   32.849  7252.13  3183.20   0.0000   0.0000  7252.13  3183.20  ?   ?   112.135   32.849 0.000000 32.84904 
1 1 1  -34   36    2 o   79.607   28.763  3308.42  2384.93   0.0000   0.0000  3308.42  2384.93  ?   ?    79.607   28.763 0.000000 28.76256 
1 1 1  -34   36    3 o   78.007   27.932  3171.38  2243.77   0.0000   0.0000  3171.38  2243.77  ?   ?    78.007   27.932 0.000000 27.93246 
1 1 1  -34   36    4 o   71.235   27.789  2454.86  2320.90   0.0000   0.0000  2454.86  2320.90  ?   ?    71.235   27.789 0.000000 27.78867 
1 1 1  -34   36    5 o  160.883   28.814 14035.32  3625.73   0.0000   0.0000 14035.32  3625.73  ?   ?   160.883   28.814 0.000000 28.81355 
1 1 1  -34   36    6 o  130.789   31.204 10045.06  3267.45   0.0000   0.0000 10045.06  3267.45  ?   ?   130.789   31.204 0.000000 31.20377 
1 1 1  -34   36    7 o   71.191   27.028  2777.69  2154.14  7103.25 10746.70  2596.62  2198.77   83.266   41.346   69.620   27.078 13.64620 49.42413 
1 1 1  -34   36    8 o  106.700   29.604  7042.14  2654.93 22127.82 11143.60  6134.32  2733.64   96.718   46.743   96.756   30.858 -0.3782654E-01 56.01019 
1 1 1  -34   36    9 o   35.435   17.319 -2167.1399  1650.49 -234.4437  8358.04 -2245.5649  1683.65   67.370   33.890   35.600   17.419 31.76993 38.10512 
1 1 1  -34   36   10 o   40.473   19.287 -1031.9440  1752.60 -5823.0752  9741.34 -871.6730  1781.67   61.111   31.290   41.485   19.677 19.62647 36.96252 
1 1 1  -34   36   11 f   79.293   28.631  4851.28  2362.60  6420.79 12730.72  4795.30  2404.36   63.884   32.866   78.283   28.788 -14.39924 43.69158 
1 1 1  -34   36   12 o   58.932   25.110  2533.76  2112.43 34122.96 10910.46  1303.46  2153.17   76.000   38.293   51.525   23.449 24.47438 44.90221 
1 1 1  -34   38    1 o   56.871   25.695  495.931  2529.50   0.0000   0.0000  495.931  2529.50  ?   ?    56.871   25.695 0.000000 25.69522 
1 1 1  -34   38    2 o  107.862   35.082  8353.55  3520.96   0.0000   0.0000  8353.55  3520.96  ?   ?   107.862   35.082 0.000000 35.08229 
1 1 1  -34   38    3 o   54.584   25.253 -21.5161  2641.39   0.0000   0.0000 -21.5161  2641.39  ?   ?    54.584   25.253 0.000000 25.25278 
1 1 1  -34   38    4 o   90.579   32.371  5875.11  3012.02   0.0000   0.0000  5875.11  3012.02  ?   ?    90.579   32.371 0.000000 32.37053 
1 1 1  -34   38    5 f   58.382   25.856  1265.81  2427.48   0.0000   0.0000  1265.81  2427.48  ?   ?    58.382   25.856 0.000000 25.85567 
1 1 1  -34   38    6 o  111.211   34.903  9782.03  3509.11   0.0000   0.0000  9782.03  3509.11  ?   ?   111.211   34.903 0.000000 34.90250 
1 1 1  -34   38    7 o   54.281   23.985  1169.38  2077.39   0.0000   0.0000  1169.38  2077.39  ?   ?    54.281   23.985 0.000000 23.98479 
1 1 1  -34   38    8 o   32.394   15.977 -2230.9829  1509.09 -8411.8711 12486.10 -2139.3579  1520.23   59.036   30.468   32.845   16.168 26.19110 34.49201 
1 1 1  -34   38    9 o   43.271   20.416 -243.9106  1871.13 -5726.6431 14650.04 -152.9885  1886.58   57.503   29.811   43.794   20.613 13.70845 36.24362 
1 1 1  -34   40    1 o   69.063   31.929  4494.65  4211.92   0.0000   0.0000  4494.65  4211.92  ?   ?    69.063   31.929 0.000000 31.92918 
1 1 1  -34   40    2 o   41.081   20.311 -2820.7229  2490.78   0.0000   0.0000 -2820.7229  2490.78  ?   ?    41.081   20.311 0.000000 20.31102 
1 1 1  -33    1    1 o  585.099   41.262 141085.70 19477.34   0.0000   0.0000 141085.70 19477.34  ?   ?   585.099   41.262 0.000000 41.26234 
1 1 1  -33    1    3 o  454.245   31.536 84677.81 11559.42 84677.81 11559.42   0.0000   0.0000  454.245   31.536  ?   ?  0.000000 31.53603 
1 1 1  -33    1    4 o  699.263   33.583 199902.91 19067.97 195199.41 26989.70 204590.00 26942.74  686.709   48.721  703.454   47.447 -16.74481 68.00719 
1 1 1  -33    1    5 o  1381.73   66.986 797344.19 75152.91 802990.31 106313.40 791704.81 106251.20  1363.39   96.661  1353.16   97.355 10.23462 137.1912 
1 1 1  -33    1    6 o  232.976   9.8722 22050.71  1867.50 23269.01  3278.41 21465.49  2272.19  238.562   17.037  229.496   12.238 9.065872 20.97657 
1 1 1  -33    1    7 o  640.458   30.393 167768.91 15805.46 178631.00 22402.39 157003.41 22302.53  657.326   42.196  615.320   44.950 42.00604 61.65269 
1 1 1  -33    1    8 o  507.934   17.109 105063.50  7056.06 105248.50  9977.90 104878.40  9979.66  507.605   24.209  506.706   24.256 0.8992920 34.26995 
1 1 1  -33    1    9 o  594.362   19.665 144242.09  9490.36 140823.80 13421.48 147660.30 13421.32  585.510   28.231  599.718   27.562 -14.20782 39.45445 
1 1 1  -33    1   10 o  335.028   11.516 45691.17  3132.70 45506.85  4429.32 45875.64  4431.28  333.900   16.337  335.256   16.278 -1.356720 23.06294 
1 1 1  -33    1   11 o  473.852   18.846 91965.78  7250.90 96375.55 12608.00 89786.49  8863.31  479.905   32.548  466.512   23.474 13.39307 40.12992 
1 1 1  -33    1   12 o  395.534   13.885 63864.63  4459.21 60042.59  6300.85 67699.85  6311.71  381.782   20.400  406.237   19.135 -24.45587 27.96946 
1 1 1  -33    1   13 o   79.336   5.9684  2572.82  381.655  2100.08  531.105  3077.62  548.815   71.203   9.4174   86.621   7.8896 -15.41774 12.28548 
1 1 1  -33    1   14 o   68.836   6.4787  1943.88  357.848  2230.02  507.626  1661.22  504.534   73.500   8.6729   63.045   10.205 10.45487 13.39243 
1 1 1  -33    1   15 o  526.825   18.382 114469.90  7863.21 113071.40 11114.22 115871.50 11126.32  518.646   26.480  525.904   26.056 -7.257874 37.14975 
1 1 1  -33    1   16 o  185.260   7.7517 13981.47  1166.04 13313.16  1641.47 14662.24  1656.70  180.089   11.282  189.106   10.835 -9.016083 15.64235 
1 1 1  -33    1   17 o   88.537   6.5360  3209.75  466.542  4193.66  661.306  2234.81  658.285  101.066   8.1273   72.979   11.489 28.08678 14.07297 
1 1 1  -33    1   18 o  189.993   8.1009 14759.90  1249.70 13687.89  1741.66 15897.58  1794.21  181.858   11.860  196.207   11.310 -14.34875 16.38816 
1 1 1  -33    1   19 o   56.945   8.5903  1360.82  384.839  1579.80  536.683  1129.05  552.135   60.840   11.279   51.073   13.214 9.767414 17.37313 
1 1 1  -33    1   20 o   44.754   9.1030  856.546  319.530  778.757  434.157  948.478  471.976   42.545   12.031   46.730   12.279 -4.184788 17.19061 
1 1 1  -33    1   21 o   52.341   10.673  1186.32  438.234  1325.31  588.425  1013.21  656.693   54.737   13.357   48.328   15.088 6.409073 20.15068 
1 1 1  -33    1   22 o   45.642   10.756  914.379  392.106  872.235  525.708  967.221  588.659   44.540   13.425   46.761   14.231 -2.220303 19.56389 
1 1 1  -33    1   23 o  171.946   8.7654 12470.64  1219.71 11853.64  1690.45 13140.69  1761.62  164.224   12.778  173.107   12.620 -8.883011 17.95941 
1 1 1  -33    1   24 o   93.688   8.5188  3755.80  640.957  3476.29  907.273  4034.31  905.629   87.095   13.247   94.826   12.033 -7.730988 17.89612 
1 1 1  -33    1   25 o   80.666   9.4432  2883.89  606.809  2377.01  824.463  3483.02  896.352   68.787   15.169   85.420   13.361 -16.63235 20.21454 
1 1 1  -33    1   26 o   32.649   11.852  484.719  405.652  200.410  546.624  833.221  605.195   29.631   12.703   40.108   14.489 -10.47732 19.26904 
1 1 1  -33    3    1 o  842.661   58.850 295490.50 40013.32   0.0000   0.0000 295490.50 40013.32  ?   ?   842.661   58.850 0.000000 58.85037 
1 1 1  -33    3    2 o  779.451   53.829 252060.59 33858.99 252060.59 33858.99   0.0000   0.0000  779.451   53.829  ?   ?  0.000000 53.82902 
1 1 1  -33    3    3 o  567.692   39.342 132681.50 18022.59 132681.50 18022.59   0.0000   0.0000  567.692   39.342  ?   ?  0.000000 39.34166 
1 1 1  -33    3    4 o  464.980   32.482 88772.93 12186.35 88772.93 12186.35   0.0000   0.0000  464.980   32.482  ?   ?  0.000000 32.48161 
1 1 1  -33    3    5 o  1019.41   48.608 428371.69 40234.50 440877.31 56957.48 415916.31 56843.03  1024.32   68.883  993.779   70.910 30.54028 98.85881 
1 1 1  -33    3    6 o  328.158   15.737 43796.74  4193.17 54006.97  5977.74 33906.04  5883.45  363.630   20.327  287.211   25.494 76.41977 32.60561 
1 1 1  -33    3    7 o  1332.00   53.263 737609.38 57605.74 649416.62 99836.13 781626.12 70531.13  1208.73  102.696  1364.32   63.669 -155.5898 120.8308 
1 1 1  -33    3    8 o  640.456   30.844 168313.20 16039.83   0.0000   0.0000 168313.20 16039.83  ?   ?   640.456   30.844 0.000000 30.84410 
1 1 1  -33    3    9 o  568.060   19.404 131780.50  8949.90 139373.20 12651.12 124173.60 12663.03  582.661   26.741  548.847   28.513 33.81378 39.09061 
1 1 1  -33    3   10 o  257.517   9.1340 26970.19  1909.87 28169.16  2692.98 25756.90  2709.02  262.969   12.612  251.057   13.337 11.91151 18.35611 
1 1 1  -33    3   11 o  277.228   11.632 31308.97  2618.38 34462.74  4576.79 29774.52  3192.43  289.303   19.599  269.690   14.633 19.61310 24.45956 
1 1 1  -33    3   12 o  153.362   6.7202  9561.19  836.833  9732.21  1168.85  9381.34  1198.63  154.350   9.3708  151.487   9.7972 2.862549 13.55717 
1 1 1  -33    3   13 o  325.406   11.688 43188.01  3088.21 43459.67  4353.08 42912.74  4381.83  325.271   16.537  323.162   16.757 2.108398 23.54244 
1 1 1  -33    3   14 o  374.420   13.257 57315.59  4030.21 55713.05  5686.07 58933.44  5713.19  367.285   19.133  378.389   18.595 -11.10477 26.68036 
1 1 1  -33    3   15 o  213.364   8.5918 18547.49  1488.49 18617.03  2087.22 18475.53  2123.34  213.056   12.115  212.195   12.378 0.8608551 17.32001 
1 1 1  -33    3   16 o  127.059   6.7988  6590.46  698.881  7129.71  963.677  5992.17  1015.06  131.900   9.0528  120.661   10.464 11.23888 13.83665 
1 1 1  -33    3   17 o  187.028   8.1249 14272.80  1233.85 14450.19  1734.48 14091.07  1755.55  187.383   11.455  184.967   11.750 2.416687 16.40973 
1 1 1  -33    3   18 o   47.730   9.5314  966.826  356.462  609.617  472.129  1440.42  543.627   39.152   12.852   58.074   11.928 -18.92139 17.53432 
1 1 1  -33    3   19 o  189.475   8.2394 14739.35  1267.62 13283.66  1768.86 16276.18  1817.49  178.271   12.295  197.813   11.363 -19.54124 16.74211 
1 1 1  -33    3   20 o   78.396   7.5530  2549.05  474.837  2204.93  627.200  3011.14  726.798   71.954   11.092   84.389   10.859 -12.43430 15.52226 
1 1 1  -33    3   21 o   98.822   7.8836  4059.59  627.318  5052.93  828.629  2725.89  960.156  109.814   9.3832   78.061   15.693 31.75319 18.28402 
1 1 1  -33    3   22 o   97.894   8.1405  4011.11  641.193  4565.34  837.354  3225.47  996.952  103.684   10.073   84.686   15.050 18.99799 18.10998 
1 1 1  -33    3   23 o   26.335   11.157   57.931  412.968 -363.5442  494.018  1035.73  752.458   23.453   10.875   48.026   16.236 -24.57327 19.54191 
1 1 1  -33    3   24 o   49.242   11.440  1105.60  448.681  1497.34  520.361 -29.7592  885.876   57.441   11.557   34.969   15.546 22.47169 19.37171 
1 1 1  -33    3   25 o  118.105   9.7194  6189.09  923.791  5748.70  1198.22  6834.45  1450.51  109.309   13.808  116.733   15.702 -7.423965 20.90967 
1 1 1  -33    3   26 o   53.199   17.118  1694.85  839.760   0.0000   0.0000  1694.85  839.760  ?   ?    53.199   17.118 0.000000 17.11764 
1 1 1  -33    5    1 f  589.458   23.100 141502.20 11055.99 71318.56 15479.52 214588.09 15796.34  413.940   46.882  725.504   26.815 -311.5645 54.00913 
1 1 1  -33    5    2 o  359.652   25.642 52983.46  7439.13 52983.46  7439.13   0.0000   0.0000  359.652   25.642  ?   ?  0.000000 25.64219 
1 1 1  -33    5    3 o  1057.22   73.882 470881.81 63024.08 470881.81 63024.08   0.0000   0.0000  1057.22   73.882  ?   ?  0.000000 73.88229 
1 1 1  -33    5    4 o  757.058   36.487 234647.91 22428.85 227894.50 31761.26 241365.50 31677.27  740.816   53.155  763.037   51.429 -22.22089 73.96196 
1 1 1  -33    5    5 o  130.842   8.5514  6983.50  903.501  5236.88  1303.80  8597.18  1253.19  112.554   14.611  145.068   10.715 -32.51450 18.11879 
1 1 1  -33    5    6 o  587.654   22.971 140771.91 10960.70 134963.59 19038.78 143651.41 13404.98  571.392   41.315  593.071   27.837 -21.67853 49.81760 
1 1 1  -33    5    7 o  192.202   9.0782 15009.39  1416.75  8346.49  2497.40 18171.17  1720.37  141.316   22.521  211.461   10.020 -70.14452 24.64915 
1 1 1  -33    5    8 o  660.710   32.202 179599.41 17275.65   0.0000   0.0000 179599.41 17275.65  ?   ?   660.710   32.202 0.000000 32.20217 
1 1 1  -33    5    9 o  517.545   20.559 109552.20  8639.42 118644.20 15010.05 105047.90 10564.89  533.866   34.817  505.076   25.848 28.79044 43.36319 
1 1 1  -33    5   10 o  495.646   19.865 100627.90  7994.81 96634.74 13889.29 102606.50  9776.91  479.689   35.921  499.449   24.109 -19.76044 43.26120 
1 1 1  -33    5   11 o  166.956   8.1555 11336.16  1105.58 13582.75  1984.38 10324.90  1331.35  181.980   13.526  158.913   10.375 23.06657 17.04693 
1 1 1  -33    5   12 o  144.176   7.5504  8476.60  880.822  7577.37  1069.28 10375.00  1553.62  136.077   9.7420  159.053   12.121 -22.97560 15.55096 
1 1 1  -33    5   13 o   73.347   5.9330  2201.05  350.314  2019.71  459.701  2452.20  541.008   69.968   8.2503   77.117   8.7975 -7.149422 12.06080 
1 1 1  -33    5   14 o  159.106   7.0111 10298.33  905.758 10419.52  1268.77 10172.37  1293.45  159.582   9.8398  157.630   10.160 1.951721 14.14376 
1 1 1  -33    5   15 o  312.242   10.865 39813.04  2754.64 37785.04  3881.03 41871.90  3910.44  302.797   15.841  319.353   15.081 -16.55655 21.87108 
1 1 1  -33    5   16 o  458.644   16.492 86808.32  6141.86 84787.24  8666.26 88847.82  8705.67  448.741   23.871  459.706   23.400 -10.96503 33.42717 
1 1 1  -33    5   17 o   14.647   6.9723 -295.0578  227.712 -103.2301  265.323 -831.4620  443.676   19.090   8.4965   18.441   9.0061 0.6490917 12.38145 
1 1 1  -33    5   18 o  190.450   8.0341 14841.18  1242.38 13766.88  1720.45 16011.88  1795.97  182.282   11.686  196.766   11.288 -14.48320 16.24755 
1 1 1  -33    5   19 o   32.486   9.3539  444.813  260.109  417.659  312.345  506.252  469.823   32.233   10.447   36.685   12.814 -4.451614 16.53297 
1 1 1  -33    5   20 o  138.930   7.6404  7964.39  858.574  6932.10  1173.59  9153.06  1259.35  128.313   11.383  147.920   10.555 -19.60741 15.52300 
1 1 1  -33    5   21 o  164.120   8.4009 11191.73  1115.76 11149.27  1537.02 11239.03  1622.27  162.049   11.762  162.308   12.404 -0.2593842 17.09336 
1 1 1  -33    5   22 o   56.050   9.4532  1351.25  414.917  1244.53  501.787  1581.97  737.786   52.981   11.949   58.761   15.310 -5.780525 19.42072 
1 1 1  -33    5   23 o  146.844   8.4664  9096.47  1005.20  8600.50  1364.47  9685.08  1486.47  140.060   12.117  148.373   12.454 -8.312668 17.37610 
1 1 1  -33    5   24 o   25.440   10.478  125.223  349.291  320.785  379.446 -960.5208  894.069   30.051   11.359   28.266   13.553 1.784401 17.68341 
1 1 1  -33    5   25 o   65.499   10.010  1940.45  515.459  2080.00  618.253  1622.27  933.521   66.539   11.879   53.916   18.085 12.62323 21.63762 
1 1 1  -33    5   26 o   43.666   16.874  1108.72  849.566   0.0000   0.0000  1108.72  849.566  ?   ?    43.666   16.874 0.000000 16.87419 
1 1 1  -33    7    1 o  858.971   60.066 307410.91 41629.78   0.0000   0.0000 307410.91 41629.78  ?   ?   858.971   60.066 0.000000 60.06611 
1 1 1  -33    7    2 o  477.710   24.844 93248.20  9603.20 70973.27 13653.45 115056.30 13509.63  413.983   41.164  529.813   31.547 -115.8303 51.86208 
1 1 1  -33    7    3 o  105.508   7.7108  4545.30  656.003  4090.45  944.523  4969.18  911.798   99.622   11.913  110.114   10.318 -10.49132 15.76030 
1 1 1  -33    7    4 o  1099.66   53.330 500485.69 47617.45 441625.59 67354.20 559300.50 67328.29  1016.84   82.284  1151.25   72.395 -134.4163 109.5974 
1 1 1  -33    7    5 o   82.649   7.2388  2795.61  480.888  3187.95  690.073  2425.21  670.504   88.036   9.8212   76.456   11.127 11.58027 14.84146 
1 1 1  -33    7    6 o  277.435   14.369 31390.59  3225.80 31798.08  4572.96 30987.01  4551.05  278.606   20.356  274.990   20.531 3.615967 28.91116 
1 1 1  -33    7    7 o  540.271   22.248 119195.20  9759.81 93070.64 16958.13 132134.09 11934.46  471.262   44.859  568.260   25.865 -96.99811 51.78166 
1 1 1  -33    7    8 o  740.370   36.417 227146.20 21892.32   0.0000   0.0000 227146.20 21892.32  ?   ?   740.370   36.417 0.000000 36.41702 
1 1 1  -33    7    9 o  356.766   14.902 51907.67  4316.81 49100.85  7534.54 53279.26  5266.97  344.168   27.183  361.081   17.965 -16.91263 32.58284 
1 1 1  -33    7   10 o   13.360   6.1998 -143.5639  161.018 -639.5313  487.810 -82.9178  170.579   21.394   10.190   15.009   6.7366 6.384263 12.21515 
1 1 1  -33    7   11 o  537.367   21.262 118693.30  9277.33 142968.50 16120.89 106672.80 11344.08  583.200   34.193  506.563   27.685 76.63657 43.99563 
1 1 1  -33    7   12 o  309.171   15.826 39214.46  3959.57 43563.47  5649.78 35016.34  5550.90  324.506   21.565  290.180   23.767 34.32544 32.09275 
1 1 1  -33    7   13 f  558.227   22.413 128865.70 10158.76 130319.00 17656.00 128146.50 12420.66  549.444   39.847  554.054   27.609 -4.609558 48.47713 
1 1 1  -33    7   14 o  179.358   7.3678 13091.31  1073.00 12332.46  1496.65 13893.87  1539.15  173.534   10.674  184.278   10.328 -10.74455 14.85245 
1 1 1  -33    7   15 f  186.794   7.8492 14211.27  1190.49 15890.25  1667.54 12465.98  1700.15  197.002   10.462  174.155   12.098 22.84770 15.99446 
1 1 1  -33    7   16 o  641.533   22.513 172603.20 11727.07 175863.70 16570.06 169331.20 16599.15  636.413   32.171  623.528   32.903 12.88446 46.01665 
1 1 1  -33    7   17 o  187.131   8.2185 14303.29  1248.75 15664.12  1747.23 12882.39  1785.38  195.046   11.078  176.460   12.542 18.58556 16.73441 
1 1 1  -33    7   18 o   37.088   8.5955  586.325  253.788  817.815  293.784 -94.4770  503.817   43.933   8.5433   27.396   11.967 16.53721 14.70389 
1 1 1  -33    7   19 o  299.579   11.278 37305.96  2743.28 38627.40  3867.85 35968.38  3891.42  301.053   15.879  289.842   16.604 11.21149 22.97495 
1 1 1  -33    7   20 o   56.977   7.6409  1359.42  344.586  1539.12  404.971  887.994  655.922   60.488   8.4784   46.113   15.149 14.37558 17.36019 
1 1 1  -33    7   21 o   28.628   10.549  279.755  323.084  326.717  368.779  124.702  670.091   30.681   11.276   33.886   14.276 -3.205524 18.19179 
1 1 1  -33    7   22 o  143.465   8.2524  8611.28  957.259  8106.92  1280.17  9250.97  1441.72  137.227   11.598  146.165   12.261 -8.938004 16.87728 
1 1 1  -33    7   23 o  103.661   8.2355  4544.80  687.461  4191.89  845.570  5232.90  1180.71   98.144   10.789  107.582   13.837 -9.437820 17.54629 
1 1 1  -33    7   24 o   88.752   8.8152  3405.51  626.847  3885.13  745.825  2251.57  1156.86   94.115   9.9087   64.129   20.026 29.98569 22.34330 
1 1 1  -33    7   25 o   32.144   11.464  446.709  377.587  225.559  419.876  1381.66  863.320   28.318   11.556   50.058   17.377 -21.73967 20.86844 
1 1 1  -33    9    1 o  146.225   15.714  8795.03  1836.44   0.0000   0.0000  8795.03  1836.44  ?   ?   146.225   15.714 0.000000 15.71396 
1 1 1  -33    9    2 o  327.288   19.090 43745.78  5050.96   0.0000   0.0000 43745.78  5050.96  ?   ?   327.288   19.090 0.000000 19.08951 
1 1 1  -33    9    3 o  508.487   35.505 106454.30 14567.16   0.0000   0.0000 106454.30 14567.16  ?   ?   508.487   35.505 0.000000 35.50515 
1 1 1  -33    9    4 o  1255.44   90.465 685623.69 91599.33   0.0000   0.0000 685623.69 91599.33  ?   ?   1255.44   90.465 0.000000 90.46456 
1 1 1  -33    9    5 o  787.149   38.062 255051.20 24327.01 252445.41 34434.27 257647.70 34372.98  775.560   55.038  783.868   54.341 -8.307861 77.34431 
1 1 1  -33    9    6 o  346.535   17.474 49053.72  4900.81 52382.69  6954.91 45770.55  6906.92  357.167   24.123  333.488   25.706 23.67905 35.25208 
1 1 1  -33    9    7 o  122.336   8.7018  6113.59  858.730  3847.78  1225.93  8296.29  1203.24   95.837   16.340  142.449   10.476 -46.61227 19.41030 
1 1 1  -33    9    8 o  291.000   14.340 34515.05  3388.30   0.0000   0.0000 34515.05  3388.30  ?   ?   291.000   14.340 0.000000 14.34006 
1 1 1  -33    9    9 o  269.803   12.194 29654.73  2671.39 24293.81  4709.50 32197.90  3243.71  241.805   24.317  280.597   14.284 -38.79239 28.20168 
1 1 1  -33    9   10 o  267.072   11.594 29059.04  2514.22 31360.78  4440.35 27972.86  3050.30  275.808   19.963  261.392   14.428 14.41617 24.63053 
1 1 1  -33    9   11 o  132.368   7.5211  7148.17  805.017  7179.01  1484.19  7135.32  958.213  131.856   14.081  132.111   8.9861 -0.2552338 16.70369 
1 1 1  -33    9   12 o   67.549   7.8928  1881.57  424.739  2573.22  854.104  1654.33  489.566   78.198   13.964   62.976   9.9009 15.22287 17.11782 
1 1 1  -33    9   13 f  250.808   11.102 25663.54  2260.91 25373.77  4006.69 25798.91  2738.57  247.232   20.134  250.821   13.497 -3.588943 24.23915 
1 1 1  -33    9   14 o  311.428   13.209 39698.30  3340.23 39977.61  5884.31 39565.51  4057.28  308.936   23.637  309.870   16.182 -0.9338074 28.64554 
1 1 1  -33    9   15 o  209.325   10.056 17890.29  1709.24 15152.61  3050.91 19142.63  2063.47  190.064   20.073  215.982   11.811 -25.91736 23.29002 
1 1 1  -33    9   16 o  155.271   8.8510  9875.00  1111.27 10121.27  2082.33  9776.93  1314.03  155.472   16.760  154.209   10.558 1.262772 19.80856 
1 1 1  -33    9   17 o   67.511   10.958  1919.74  580.097  2351.90  1027.15  1717.35  702.932   73.533   17.463   63.193   14.062 10.34021 22.42090 
1 1 1  -33    9   18 o  171.045   7.9513 11991.88  1104.30 12469.63  1538.42 11484.05  1586.10  173.342   10.987  166.030   11.843 7.311569 16.15467 
1 1 1  -33    9   19 o  167.354   8.1813 11525.66  1111.72 12167.62  1555.06 10854.58  1589.94  170.573   11.292  160.635   12.283 9.938034 16.68468 
1 1 1  -33    9   20 f   10.952   5.5049 -658.3577  218.241 -873.6625  251.408  -0.0198  439.619   11.113   5.6247   26.588   11.395 -15.47551 12.70737 
1 1 1  -33    9   21 o  131.005   7.7887  7132.40  824.764  6574.06  1091.31  7876.05  1259.46  124.376   10.917  135.875   11.524 -11.49894 15.87405 
1 1 1  -33    9   22 o   70.712   8.4190  2118.69  473.884  3080.75  559.232 -331.4980  892.468   85.536   8.1506   33.420   15.166 52.11575 17.21706 
1 1 1  -33    9   23 o  130.589   8.2732  7220.27  872.710  6820.58  1145.96  7772.12  1346.56  124.604   11.455  131.926   12.729 -7.322014 17.12397 
1 1 1  -33    9   24 o   77.139   9.5536  2619.97  585.582  2467.98  688.066  3019.28  1115.23   73.281   11.978   75.588   18.354 -2.306419 21.91676 
1 1 1  -33    9   25 o   59.514   10.030  1629.05  467.457  1606.57  524.836  1715.31  1028.18   58.030   11.545   53.232   18.925 4.797878 22.16809 
1 1 1  -33   11    1 o  539.124   38.645 120166.30 16804.71   0.0000   0.0000 120166.30 16804.71  ?   ?   539.124   38.645 0.000000 38.64511 
1 1 1  -33   11    2 o  156.766   11.640 10044.83  1471.03 13378.88  2038.42  6421.61  2124.98  180.829   13.992  123.666   21.967 57.16324 26.04482 
1 1 1  -33   11    3 o  284.010   22.163 33107.18  5070.52 33107.18  5070.52   0.0000   0.0000  284.010   22.163  ?   ?  0.000000 22.16322 
1 1 1  -33   11    6 o  399.112   28.534 65845.26  9185.91   0.0000   0.0000 65845.26  9185.91  ?   ?   399.112   28.534 0.000000 28.53398 
1 1 1  -33   11    7 o  240.022   18.506 23682.88  3578.78   0.0000   0.0000 23682.88  3578.78  ?   ?   240.022   18.506 0.000000 18.50594 
1 1 1  -33   11    8 o  396.568   17.790 64306.99  5728.51   0.0000   0.0000 64306.99  5728.51  ?   ?   396.568   17.790 0.000000 17.79041 
1 1 1  -33   11    9 o  232.163   11.035 21949.59  2080.22   0.0000   0.0000 21949.59  2080.22  ?   ?   232.163   11.035 0.000000 11.03514 
1 1 1  -33   11   10 o  316.833   13.972 40979.10  3594.34 41815.77  6369.37 40588.16  4353.83  317.228   24.929  314.432   17.118 2.796967 30.23991 
1 1 1  -33   11   11 o  329.525   14.105 44367.13  3774.11 40254.02  6677.77 46297.59  4574.84  310.249   26.770  336.177   16.760 -25.92789 31.58404 
1 1 1  -33   11   12 o   70.917   7.8528  2071.43  444.596  778.662  1126.37  2310.02  483.885   51.497   19.546   74.908   8.0838 -23.41117 21.15143 
1 1 1  -33   11   13 o  180.548   9.0186 13280.86  1322.12 14093.13  2455.87 12949.37  1568.87  184.500   16.570  177.804   10.920 6.695801 19.84468 
1 1 1  -33   11   14 o  139.414   8.4507  7948.46  952.102 10162.38  1959.65  7264.37  1089.31  156.486   15.632  133.031   10.161 23.45445 18.64445 
1 1 1  -33   11   15 o  259.402   11.686 27553.74  2461.34 26409.04  4424.10 28066.87  2962.08  250.385   21.984  260.952   14.031 -10.56694 26.07972 
1 1 1  -33   11   16 o   23.468   10.446 -153.5268  401.207  1034.28  924.900 -428.8401  445.283   52.074   17.991   21.802   10.182 30.27154 20.67244 
1 1 1  -33   11   17 o   23.446   10.829 -382.4811  482.739 -936.2682  946.809 -187.9519  561.156   31.317   14.696   27.921   12.395 3.396696 19.22547 
1 1 1  -33   11   18 o   40.423   13.762  639.932  540.624  1950.18  1755.51  502.649  568.241   68.935   24.705   38.176   14.002 30.75846 28.39658 
1 1 1  -33   11   19 o   20.780   9.9079 -591.3474  463.797 -423.3642  1814.59 -603.0884  479.731   49.001   21.984   21.195   10.098 27.80595 24.19216 
1 1 1  -33   11   20 o  156.246   10.168 10243.57  1282.96 12127.48  2714.40  9701.64  1455.85  161.937   21.149  151.104   11.964 10.83279 24.29827 
1 1 1  -33   11   21 o  166.860   11.541 11900.22  1554.01 11648.54  3328.79 11970.36  1757.25  147.661   28.798  166.142   13.133 -18.48152 31.65172 
1 1 1  -33   11   22 o  100.906   13.170  4527.50  1053.33  4594.50  2828.85  4516.71  1134.94   84.616   31.209   99.971   14.397 -15.35503 34.37002 
1 1 1  -33   11   23 o  174.807   15.534 14359.62  2181.91 11928.09  3812.06 15544.31  2660.87  123.133   35.912  176.449   18.865 -53.31566 40.56573 
1 1 1  -33   11   24 o   25.964   12.598 -1055.7581  829.992   0.0000   0.0000 -1055.7581  829.992  ?   ?    25.964   12.598 0.000000 12.59785 
1 1 1  -33   11   25 o   52.033   19.486  1761.39  1111.01   0.0000   0.0000  1761.39  1111.01  ?   ?    52.033   19.486 0.000000 19.48550 
1 1 1  -33   13    1 o  512.503   27.300 107992.70 11319.46   0.0000   0.0000 107992.70 11319.46  ?   ?   512.503   27.300 0.000000 27.29981 
1 1 1  -33   13    2 o  270.946   12.762 29871.30  2807.70 31382.38  4992.26 29172.21  3395.63  276.171   22.457  267.143   15.724 9.027771 27.41482 
1 1 1  -33   13    3 o  884.957   44.885 328222.09 32146.56 307561.59 45658.57 348530.81 45268.17  840.247   67.493  899.109   62.393 -58.86169 91.91408 
1 1 1  -33   13    4 o  544.414   27.666 122143.10 12189.48 114071.30 17400.09 129922.00 17081.40  521.255   41.454  557.945   37.930 -36.69006 56.18806 
1 1 1  -33   13    5 o  400.102   21.023 65700.09  6805.90 58274.90  9764.02 72716.95  9491.75  373.893   32.485  419.269   28.043 -45.37564 42.91487 
1 1 1  -33   13    6 o   59.852   14.987  1518.38  726.683  1518.38  726.683   0.0000   0.0000   59.852   14.987  ?   ?  0.000000 14.98660 
1 1 1  -33   13    8 o  117.910   15.638  5776.62  1460.26  5776.62  1460.26   0.0000   0.0000  117.910   15.638  ?   ?  0.000000 15.63837 
1 1 1  -33   13    9 o  148.968   9.5401  9069.03  1147.88  9646.92  1865.12  8716.68  1456.37  152.912   15.224  145.690   12.430 7.221924 19.65424 
1 1 1  -33   13   10 o  256.069   18.837 27058.08  3889.04   0.0000   0.0000 27058.08  3889.04  ?   ?   256.069   18.837 0.000000 18.83683 
1 1 1  -33   13   11 o   27.806   10.667  209.730  337.744   0.0000   0.0000  209.730  337.744  ?   ?    27.806   10.667 0.000000 10.66732 
1 1 1  -33   13   12 o  530.070   38.630 121641.30 16511.85   0.0000   0.0000 121641.30 16511.85  ?   ?   530.070   38.630 0.000000 38.62988 
1 1 1  -33   13   13 o  149.502   13.365  9223.33  1605.28   0.0000   0.0000  9223.33  1605.28  ?   ?   149.502   13.365 0.000000 13.36505 
1 1 1  -33   13   14 o  157.199   10.192 10134.27  1293.87   0.0000   0.0000 10134.27  1293.87  ?   ?   157.199   10.192 0.000000 10.19174 
1 1 1  -33   13   15 o  276.210   14.554 31546.51  3252.59   0.0000   0.0000 31546.51  3252.59  ?   ?   276.210   14.554 0.000000 14.55418 
1 1 1  -33   13   16 o  219.056   12.828 19886.15  2271.64   0.0000   0.0000 19886.15  2271.64  ?   ?   219.056   12.828 0.000000 12.82757 
1 1 1  -33   13   17 o   22.407   10.685 -697.6224  539.859   0.0000   0.0000 -697.6224  539.859  ?   ?    22.407   10.685 0.000000 10.68522 
1 1 1  -33   13   18 o   22.489   10.731 -702.8109  546.101   0.0000   0.0000 -702.8109  546.101  ?   ?    22.489   10.731 0.000000 10.73063 
1 1 1  -33   13   19 o  200.658   12.850 17084.71  2082.58   0.0000   0.0000 17084.71  2082.58  ?   ?   200.658   12.850 0.000000 12.84974 
1 1 1  -33   13   20 o  119.435   11.724  6093.19  1122.28   0.0000   0.0000  6093.19  1122.28  ?   ?   119.435   11.724 0.000000 11.72379 
1 1 1  -33   13   21 f   18.105   9.0184 -1297.7290  527.628   0.0000   0.0000 -1297.7290  527.628  ?   ?    18.105   9.0184 0.000000 9.018353 
1 1 1  -33   13   22 o   49.154   16.004  1118.03  732.671   0.0000   0.0000  1118.03  732.671  ?   ?    49.154   16.004 0.000000 16.00416 
1 1 1  -33   13   23 o   93.126   18.279  4427.23  1332.82   0.0000   0.0000  4427.23  1332.82  ?   ?    93.126   18.279 0.000000 18.27899 
1 1 1  -33   13   24 o   34.904   15.227  231.497  813.373   0.0000   0.0000  231.497  813.373  ?   ?    34.904   15.227 0.000000 15.22746 
1 1 1  -33   15    1 o  647.085   46.520 177584.09 24278.96   0.0000   0.0000 177584.09 24278.96  ?   ?   647.085   46.520 0.000000 46.51988 
1 1 1  -33   15    2 o  304.647   16.474 37982.57  4059.85 39893.96  5980.53 36348.91  5529.00  310.907   23.873  296.844   23.122 14.06293 33.23417 
1 1 1  -33   15    3 o  553.274   24.360 125743.50 10943.52 113582.90 19053.64 131729.80 13368.45  516.434   45.918  564.109   29.287 -47.67474 54.46244 
1 1 1  -33   15    4 o  345.697   19.130 49036.74  5348.69 41439.98  7769.03 55881.96  7374.73  314.960   30.772  367.823   24.838 -52.86343 39.54568 
1 1 1  -33   15    5 f  346.480   17.721 49204.11  4968.74 53000.32  7208.97 45768.65  6857.88  358.006   24.956  332.400   25.606 25.60645 35.75571 
1 1 1  -33   15    6 o  368.647   19.009 55792.70  5670.48 56954.34  8204.65 54730.42  7845.90  370.265   27.486  363.130   26.799 7.135315 38.38890 
1 1 1  -33   15    7 o  198.972   11.897 16188.76  1913.24 18453.18  2882.25 14405.00  2558.13  211.756   16.904  186.907   17.044 24.84875 24.00480 
1 1 1  -33   15    8 o  129.462   10.419  6869.14  1085.99  5779.38  1736.57  7569.05  1391.69  117.289   18.875  135.634   12.788 -18.34486 22.79891 
1 1 1  -33   15    9 o  272.145   14.833 30365.67  3265.32 31912.65  4759.92 28990.50  4487.80  277.606   21.279  264.569   21.065 13.03668 29.94240 
1 1 1  -33   15   10 o  468.730   18.254 90258.58  6947.44 98590.46 12292.41 86347.96  8421.48  483.395   31.490  457.000   22.695 26.39438 38.81620 
1 1 1  -33   15   11 f  114.618   7.9064  5372.38  731.318  2852.22  1613.17  6024.31  820.473   81.843   23.207  121.355   8.3779 -39.51143 24.67322 
1 1 1  -33   15   12 f  186.265   9.0230 14139.21  1364.64 17298.52  2730.34 13087.20  1575.55  204.456   16.590  178.717   10.910 25.73926 19.85546 
1 1 1  -33   15   13 o  197.813   9.0375 15957.83  1451.58 22691.93  2889.19 13684.04  1678.85  234.438   15.261  182.593   11.380 51.84460 19.03707 
1 1 1  -33   15   14 o   79.327   10.866  2622.47  681.517  3749.69  1556.17  2354.96  758.081   92.921   21.106   74.688   12.971 18.23363 24.77345 
1 1 1  -33   15   15 f  128.408   11.196  6823.67  1155.68  8080.59  2073.55  6257.30  1391.91  137.542   19.081  122.178   14.301 15.36419 23.84558 
1 1 1  -33   15   16 o  137.649   11.414  7877.85  1264.17 11313.78  2225.90  6241.89  1535.92  162.984   17.073  120.979   16.031 42.00572 23.41959 
1 1 1  -33   15   17 o  258.948   15.954 28555.82  3338.01 26367.65  5091.15 30205.71  4420.82  239.145   26.673  262.009   20.955 -22.86485 33.92058 
1 1 1  -33   15   18 o   62.047   16.391  1716.86  838.112 -1136.8370  1791.70  2516.18  948.253   44.655   20.708   75.310   16.001 -30.65479 26.16981 
1 1 1  -33   15   19 o  131.590   13.496  7457.93  1421.64  6225.82  2407.77  8117.35  1761.46  111.075   26.967  135.607   16.325 -24.53294 31.52404 
1 1 1  -33   15   20 o  119.598   14.438  6307.87  1373.66  6407.01  2389.25  6258.92  1678.89  110.410   26.899  116.418   18.370 -6.007935 32.57304 
1 1 1  -33   15   21 o  137.972   13.225  8405.18  1463.39 23408.10  2608.10  1511.64  1767.90  229.610   14.057   59.407   23.903 170.2031 27.72987 
1 1 1  -33   15   22 o  234.500   48.469 52878.02  8923.69 52878.02  8923.69   0.0000   0.0000  234.500   48.469  ?   ?  0.000000 48.46867 
1 1 1  -33   15   23 o   49.770   23.868 -92.2095  2776.13 -92.2095  2776.13   0.0000   0.0000   49.770   23.868  ?   ?  0.000000 23.86754 
1 1 1  -33   17    1 o  310.525   17.477 39527.62  4388.70   0.0000   0.0000 39527.62  4388.70  ?   ?   310.525   17.477 0.000000 17.47713 
1 1 1  -33   17    2 o  614.130   25.621 155341.70 12776.09 142551.50 22359.61 161541.80 15567.72  576.217   48.234  624.319   30.710 -48.10193 57.18062 
1 1 1  -33   17    3 o  451.223   19.202 83357.56  7035.32 75560.52 12327.82 87123.39  8567.46  423.701   36.180  460.486   22.914 -36.78497 42.82584 
1 1 1  -33   17    4 o  527.485   27.280 115270.50 11644.26 109750.40 16729.59 120457.80 16217.29  508.386   40.873  534.512   37.606 -26.12619 55.54136 
1 1 1  -33   17    5 o  663.140   34.058 184245.41 18276.34 174104.50 26087.75 194019.80 25612.10  632.385   51.247  671.049   47.309 -38.66431 69.74504 
1 1 1  -33   17    6 o  445.385   32.311 83228.09 11605.43   0.0000   0.0000 83228.09 11605.43  ?   ?   445.385   32.311 0.000000 32.31114 
1 1 1  -33   17    7 o  387.162   19.650 61706.38  6157.04 66744.92  8934.81 57150.09  8496.45  400.042   27.677  369.724   28.523 30.31851 39.74373 
1 1 1  -33   17    8 o  392.825   20.214 63647.63  6425.66 66156.59  9315.80 61370.61  8874.75  397.229   29.085  382.647   28.775 14.58194 40.91365 
1 1 1  -33   17    9 o  127.052   11.047  6631.80  1128.26  6113.35  1892.08  6917.87  1405.48  120.282   20.081  129.406   13.579 -9.124031 24.24120 
1 1 1  -33   17   10 o  143.585   9.1226  8432.28  1058.05 13525.88  1979.21  6394.22  1251.95  181.351   13.539  124.476   12.559 56.87572 18.46663 
1 1 1  -33   17   11 o  217.898   10.190 19369.76  1802.82 20514.27  3535.96 18967.74  2095.66  221.918   19.832  215.088   12.048 6.829880 23.20523 
1 1 1  -33   17   12 o  128.031   7.9831  6703.68  825.760  9117.57  1916.17  6153.15  915.093  147.953   16.216  122.477   9.2705 25.47588 18.67891 
1 1 1  -33   17   13 o  219.249   10.376 19658.35  1847.23 18739.50  3640.55 19976.94  2143.69  210.539   21.602  220.427   12.023 -9.888626 24.72227 
1 1 1  -33   17   14 o  134.892   9.4065  7482.04  1023.83  6510.00  2233.80  7740.54  1151.95  121.822   23.434  137.016   10.433 -15.19466 25.65127 
1 1 1  -33   17   15 o  103.074   9.0692  4390.66  751.299  6329.28  1848.42  4007.01  822.287  120.669   19.533   98.134   10.482 22.53540 22.16760 
1 1 1  -33   17   16 o  107.969   9.4099  4837.49  816.693  4964.74  1867.92  4807.41  908.088  104.485   22.669  107.334   10.556 -2.849091 25.00642 
1 1 1  -33   17   17 o  133.724   9.6896  7439.29  1044.96  5814.53  2350.79  7839.38  1166.54  109.882   26.627  136.981   10.570 -27.09904 28.64839 
1 1 1  -33   17   18 o   73.913   11.780  2348.58  683.264  2767.88  1803.10  2278.28  738.327   76.224   25.121   72.343   13.050 3.881287 28.30796 
1 1 1  -33   17   19 f   88.954   12.237  3421.65  860.469  4489.65  2396.96  3263.66  921.920   91.426   28.868   86.232   13.619 5.193169 31.91903 
1 1 1  -33   17   20 o   90.074   12.039  3539.73  858.450  2067.06  2280.05  3782.98  926.637   66.982   27.077   92.854   12.617 -25.87232 29.87210 
1 1 1  -33   17   21 o   43.351   15.690  791.512  710.127 -1855.5670  2168.39  1109.52  751.573   43.109   20.781   49.016   16.221 -5.906925 26.36253 
1 1 1  -33   17   22 o   65.988   20.381  2395.34  1202.02 -455.4318  2612.21  3161.12  1353.87   49.454   23.562   75.193   21.239 -25.73888 31.72146 
1 1 1  -33   17   23 o   52.038   19.495  1561.67  1112.35   0.0000   0.0000  1561.67  1112.35  ?   ?    52.038   19.495 0.000000 19.49535 
1 1 1  -33   19    1 o   45.154   12.635  854.199  481.464   0.0000   0.0000  854.199  481.464  ?   ?    45.154   12.635 0.000000 12.63475 
1 1 1  -33   19    2 o  311.745   14.831 39679.75  3754.03 37942.00  6817.62 40435.91  4497.21  301.394   28.186  313.835   17.721 -12.44073 33.29369 
1 1 1  -33   19    3 o  228.738   12.245 21387.08  2265.91 20635.29  4103.84 21716.79  2717.73  222.737   23.024  230.168   14.618 -7.431473 27.27206 
1 1 1  -33   19    4 f  285.145   13.662 33182.97  3163.08 31515.03  5613.91 33958.76  3828.66  275.015   25.428  287.661   16.460 -12.64526 30.29073 
1 1 1  -33   19    5 o  382.437   20.823 60319.14  6441.58 57304.66  9433.14 62952.99  8817.52  368.919   31.802  388.254   28.161 -19.33521 42.47846 
1 1 1  -33   19    6 o  466.649   24.788 90391.94  9358.59 84335.87 13533.98 95941.02 12955.09  444.250   37.882  476.437   33.706 -32.18683 50.70622 
1 1 1  -33   19    7 o  238.908   14.237 23417.71  2749.24 25223.95  4203.75 22067.77  3634.16  246.459   21.213  230.807   19.576 15.65224 28.86580 
1 1 1  -33   19    8 o  540.716   26.855 121995.70 11790.55 129318.80 16960.33 115146.50 16402.37  547.956   38.362  516.090   39.441 31.86609 55.01983 
1 1 1  -33   19    9 o  330.454   27.313 46028.70  7263.01 46028.70  7263.01   0.0000   0.0000  330.454   27.313  ?   ?  0.000000 27.31350 
1 1 1  -33   19   10 o  213.169   13.831 18694.50  2381.09 19942.18  3809.50 17894.54  3050.37  218.134   21.800  207.510   18.291 10.62308 28.45725 
1 1 1  -33   19   11 o  122.213   8.5222  6117.85  840.385  5904.96  2248.80  6152.40  906.029  116.600   24.530  122.473   9.1777 -5.872841 26.19054 
1 1 1  -33   19   12 f  159.612   8.0718 10416.11  1042.70 16604.52  2506.14  9120.60  1146.66  199.979   15.557  149.116   9.5202 50.86337 18.23843 
1 1 1  -33   19   13 o  161.756   10.145 10764.70  1325.72  6181.40  2954.88 11919.77  1483.39  116.273   30.806  170.101   10.796 -53.82761 32.64285 
1 1 1  -33   19   14 f  102.695   9.0643  4358.05  748.066  2876.37  2040.29  4588.17  804.061   81.271   26.719  105.301   9.5067 -24.03011 28.35979 
1 1 1  -33   19   15 o  176.765   9.6751 12914.51  1383.37 17940.74  3076.03 11640.21  1548.84  203.735   18.807  167.180   11.480 36.55478 22.03360 
1 1 1  -33   19   16 o   50.008   13.325  1088.33  550.830  437.735  1758.56  1159.11  580.018   54.536   23.059   51.553   13.644 2.982559 26.79307 
1 1 1  -33   19   17 o   20.209   9.7327 -697.3857  472.999  1652.39  1810.20 -869.5745  490.023   64.771   24.732   19.531   9.5222 45.23994 26.50174 
1 1 1  -33   19   18 o   59.684   14.473  1595.09  694.147  1071.90  2260.13  1649.58  729.400   62.106   26.194   60.581   14.925 1.525410 30.14815 
1 1 1  -33   19   19 o   43.727   14.922  805.049  635.628  1026.84  2352.36  787.580  660.186   60.827   26.218   43.616   15.193 17.21143 30.30157 
1 1 1  -33   19   20 o   21.021   10.412 -1436.0660  665.161 -751.0555  1864.34 -1535.9821  712.021   44.850   20.908   21.710   10.756 23.13965 23.51230 
1 1 1  -33   19   21 o   39.191   16.673  325.906  928.739  799.051  2867.30  270.447  981.661   56.925   26.327   39.351   16.949 17.57385 31.31086 
1 1 1  -33   19   22 o   32.494   15.414 -720.8392  1093.83  4094.71  3157.10 -1377.7469  1166.05   66.055   29.359   30.353   14.774 35.70145 32.86644 
1 1 1  -33   19   23 o   40.181   17.571  612.890  1088.77   0.0000   0.0000  612.890  1088.77  ?   ?    40.181   17.571 0.000000 17.57141 
1 1 1  -33   21    1 o  611.269   31.581 156640.00 15621.08   0.0000   0.0000 156640.00 15621.08  ?   ?   611.269   31.581 0.000000 31.58102 
1 1 1  -33   21    2 o  514.494   26.975 110164.20 11229.70   0.0000   0.0000 110164.20 11229.70  ?   ?   514.494   26.975 0.000000 26.97526 
1 1 1  -33   21    3 f  494.299   26.061 101618.40 10422.72   0.0000   0.0000 101618.40 10422.72  ?   ?   494.299   26.061 0.000000 26.06098 
1 1 1  -33   21    4 o  315.953   18.083 41103.61  4619.89 42783.18  6980.86 39794.77  6162.44  319.612   27.157  308.973   24.772 10.63892 36.75798 
1 1 1  -33   21    5 o  495.428   26.401 102398.80 10582.23 98227.05 15365.50 106162.90 14595.25  476.999   40.043  498.613   36.300 -21.61392 54.04734 
1 1 1  -33   21    6 o  190.971   13.699 14987.86  2110.16 15310.31  3426.13 14790.79  2678.46  191.103   22.512  188.947   17.663 2.155762 28.61426 
1 1 1  -33   21    7 o  410.464   22.739 70076.17  7549.07 64065.18 11071.92 75298.16 10319.71  385.692   35.761  421.667   30.344 -35.97452 46.90014 
1 1 1  -33   21    8 o  481.954   38.198 101115.00 14825.50 101115.00 14825.50   0.0000   0.0000  481.954   38.198  ?   ?  0.000000 38.19773 
1 1 1  -33   21    9 f  319.747   18.367 42367.41  4748.54 40430.38  7110.10 43927.06  6379.98  307.837   28.780  323.084   24.503 -15.24710 37.79741 
1 1 1  -33   21   10 o  171.266   13.333 12108.44  1839.52 11027.38  3059.62 12720.44  2302.06  160.339   24.259  174.841   16.408 -14.50186 29.28701 
1 1 1  -33   21   11 o  239.423   11.630 23512.65  2260.84 22124.54  4739.89 23921.47  2572.31  226.278   26.288  240.793   13.207 -14.51472 29.41901 
1 1 1  -33   21   12 o   74.158   8.7836  2280.61  518.620 -79.8951  2117.81  2431.20  534.907   56.999   24.721   76.605   8.7570 -19.60582 26.22644 
1 1 1  -33   21   13 f  157.208   9.6092 10190.30  1220.70  8474.19  3132.00 10497.69  1325.53  135.010   29.403  159.390   10.297 -24.38057 31.15421 
1 1 1  -33   21   14 o   21.924   10.126 -331.9373  422.010 -1264.5350  1950.63 -286.1432  432.247   46.984   21.724   22.777   10.419 24.20716 24.09363 
1 1 1  -33   21   15 o  127.953   9.3012  6794.83  959.721  9104.84  2737.32  6471.08  1024.77  139.890   25.017  124.570   10.222 15.32049 27.02496 
1 1 1  -33   21   16 o  136.521   9.8896  7783.23  1088.83  5694.58  2827.63  8146.85  1179.81  104.663   31.042  139.446   10.497 -34.78329 32.76910 
1 1 1  -33   21   17 o   35.904   13.638  417.686  548.619  1743.18  2434.50  346.772  563.103   68.257   27.836   34.958   13.674 33.29942 31.01321 
1 1 1  -33   21   18 o   83.525   11.995  3030.37  790.162 -1266.7841  2522.65  3497.83  832.031   51.062   23.971   89.988   11.661 -38.92525 26.65679 
1 1 1  -33   21   19 o   94.860   11.639  3924.95  877.676 -708.7120  3282.89  4281.63  910.830   57.431   27.080   99.189   11.524 -41.75773 29.42998 
1 1 1  -33   21   20 o   51.458   18.780  1240.89  1020.47 -355.5733  2758.72  1493.97  1098.38   52.726   24.850   55.094   19.563 -2.367867 31.62626 
1 1 1  -33   21   21 o   72.549   22.367  3148.05  1448.40  395.425  3833.77  3606.36  1564.34   55.454   26.945   76.905   23.153 -21.45092 35.52616 
1 1 1  -33   21   22 o   43.465   18.568  836.980  1160.63   0.0000   0.0000  836.980  1160.63  ?   ?    43.465   18.568 0.000000 18.56785 
1 1 1  -33   23    1 o  202.117   15.500 16826.61  2524.41   0.0000   0.0000 16826.61  2524.41  ?   ?   202.117   15.500 0.000000 15.50029 
1 1 1  -33   23    2 o  311.792   18.762 40127.84  4727.73   0.0000   0.0000 40127.84  4727.73  ?   ?   311.792   18.762 0.000000 18.76189 
1 1 1  -33   23    3 o  657.846   28.096 181100.20 15007.32 192909.50 26498.20 175523.50 18209.16  656.609   50.079  641.487   35.092 15.12207 61.15080 
1 1 1  -33   23    4 o  318.198   15.869 41529.23  4100.00 41919.22  7437.38 41358.98  4914.13  314.566   29.462  316.236   19.229 -1.670105 35.18181 
1 1 1  -33   23    5 o   98.362   13.303  4028.43  1035.20  8898.66  2295.55  2785.17  1159.83  145.512   19.954   80.693   18.143 64.81938 26.96915 
1 1 1  -33   23    6 o  158.073   13.953 10314.88  1772.50  9262.09  2989.50 10885.60  2201.12  146.718   26.048  161.790   17.010 -15.07185 31.11056 
1 1 1  -33   23    7 o  266.029   27.348 30133.33  5823.31 30133.33  5823.31   0.0000   0.0000  266.029   27.348  ?   ?  0.000000 27.34835 
1 1 1  -33   23    8 o  373.991   21.325 58512.80  6448.92 56154.21  9665.80 60405.01  8657.57  358.674   33.580  375.654   28.599 -16.98050 44.10796 
1 1 1  -33   23    9 o  307.371   18.369 39415.55  4563.41 38078.93  6970.87 40417.95  6036.72  296.022   29.390  308.202   24.320 -12.18036 38.14807 
1 1 1  -33   23   10 o  136.604   13.563  7772.50  1484.54  7822.87  2740.44  7751.59  1766.13  132.750   26.354  135.651   16.365 -2.900925 31.02175 
1 1 1  -33   23   11 o  267.351   17.099 30086.04  3692.44 28824.28  5803.84 30944.02  4785.94  253.771   28.669  267.953   22.197 -14.18207 36.25809 
1 1 1  -33   23   12 o  203.277   10.371 17071.36  1706.15 16962.28  3992.83 17095.72  1887.11  194.195   25.973  203.024   11.495 -8.828583 28.40296 
1 1 1  -33   23   13 o   45.295   11.154  883.548  407.492 -1988.1370  2051.78  1001.47  415.774   45.015   21.281   48.261   10.871 -3.246147 23.89713 
1 1 1  -33   23   14 o   69.494   10.128  2040.47  554.711 -1537.8770  2645.74  2205.00  567.321   53.955   25.070   72.347   9.9188 -18.39200 26.96092 
1 1 1  -33   23   15 o   42.889   12.915  787.242  486.681  3476.51  2211.56  650.379  498.912   84.333   27.822   39.929   13.217 44.40360 30.80192 
1 1 1  -33   23   16 o   94.248   10.270  3756.86  773.175  6512.72  3159.28  3581.29  797.424  107.779   33.002   91.758   10.917 16.02085 34.76071 
1 1 1  -33   23   17 o  153.045   10.657  9936.22  1316.09 11925.97  4087.18  9706.04  1390.13  139.930   35.821  150.764   11.441 -10.83456 37.60342 
1 1 1  -33   23   18 o   31.444   13.229  128.549  574.104 -1194.0930  2704.13  190.980  587.497   51.717   24.444   32.603   13.524 19.11341 27.93553 
1 1 1  -33   23   19 o   89.755   21.390  4224.54  1536.76  1755.43  4033.28  4643.87  1662.14   65.864   30.720   93.372   22.241 -27.50793 37.92639 
1 1 1  -33   23   20 f   70.970   22.879  3012.01  1499.65  7396.78  4307.36  2407.20  1599.74   79.596   34.875   63.160   23.435 16.43657 42.01737 
1 1 1  -33   23   21 o   94.830   22.118  5517.43  1671.78  3990.11  4997.66  5709.86  1773.97   58.332   28.827   94.550   23.266 -36.21838 37.04445 
1 1 1  -33   25    1 o  114.542   16.444  5500.16  1485.47   0.0000   0.0000  5500.16  1485.47  ?   ?   114.542   16.444 0.000000 16.44366 
1 1 1  -33   25    2 o  343.629   21.109 49149.53  5861.10   0.0000   0.0000 49149.53  5861.10  ?   ?   343.629   21.109 0.000000 21.10856 
1 1 1  -33   25    3 o  231.354   17.009 22163.24  3172.74   0.0000   0.0000 22163.24  3172.74  ?   ?   231.354   17.009 0.000000 17.00889 
1 1 1  -33   25    4 o  166.180   13.850 11404.23  1851.78 10540.26  3742.27 11684.37  2130.95  154.771   30.861  167.796   15.828 -13.02429 34.68333 
1 1 1  -33   25    5 o  224.839   14.518 20863.24  2636.30 23470.67  5071.47 19897.76  3086.02  233.998   27.200  218.737   17.523 15.26082 32.35521 
1 1 1  -33   25    6 f  139.528   24.153  8417.05  2637.26  6872.84  3314.99 11079.45  4352.77  123.569   32.577  156.207   35.166 -32.63786 47.93624 
1 1 1  -33   25    7 o  241.547   17.164 24339.23  3344.43 21971.38  5483.72 25741.59  4220.15  222.765   31.171  246.708   21.275 -23.94270 37.73946 
1 1 1  -33   25    8 o  220.762   16.909 20413.71  3007.87 16557.62  5084.37 22489.90  3730.75  189.925   34.229  230.329   20.151 -40.40335 39.72017 
1 1 1  -33   25    9 o  211.219   15.908 18712.00  2708.18 17470.34  4593.85 19373.37  3352.73  196.568   29.709  213.214   19.585 -16.64603 35.58397 
1 1 1  -33   25   10 o  237.675   16.832 23892.82  3227.29 22606.71  5373.61 24618.45  4036.32  221.314   30.733  238.630   21.047 -17.31625 37.24909 
1 1 1  -33   25   11 o   63.034   19.081  1727.82  1060.38  1839.22  2688.85  1707.31  1153.90   74.659   29.667   63.055   20.042 11.60446 35.80275 
1 1 1  -33   25   12 o   17.589   8.3478 -391.6519  321.715 -26.3474  2194.17 -399.6779  325.229   56.794   24.887   17.644   8.3798 39.14935 26.26028 
1 1 1  -33   25   13 o   69.419   9.1848  2024.21  505.000 -5670.1460  2612.40  2322.89  514.708   40.731   20.252   74.570   8.6621 -33.83966 22.02662 
1 1 1  -33   25   14 o   54.236   11.262  1274.54  479.733  2286.33  2660.24  1240.53  487.729   74.662   29.559   53.419   11.579 21.24323 31.74627 
1 1 1  -33   25   15 o   35.180   12.760  450.556  470.064 -4009.6111  2710.09  588.902  477.299   44.976   22.027   38.190   12.931 6.786163 25.54203 
1 1 1  -33   25   16 o  113.149   9.8940  5417.59  899.861  5857.49  3131.88  5378.00  939.475   98.567   33.125  112.495   10.403 -13.92805 34.72038 
1 1 1  -33   25   17 o   48.104   13.985  1048.35  578.941 -2147.5459  3864.95  1121.71  585.548   57.115   27.585   49.660   13.947 7.455605 30.91063 
1 1 1  -33   25   18 o  ?   ?  -3408.7490  706.869  1882.48  3026.83 -3713.9690  726.970   64.214   28.630  ?   ?  0.000000 28.63003 
1 1 1  -33   25   19 o   37.953   17.493 -301.4858  1250.00 -4144.8311  4558.47   11.006  1299.82   50.711   25.444   40.656   18.390 10.05580 31.39362 
1 1 1  -33   25   20 o   35.037   16.554 -544.6774  1238.26 -7065.1421  4985.27 -115.9509  1278.32   45.165   23.065   38.006   17.578 7.158890 28.99965 
1 1 1  -33   27    1 o  138.091   17.011  8016.21  1867.01   0.0000   0.0000  8016.21  1867.01  ?   ?   138.091   17.011 0.000000 17.01068 
1 1 1  -33   27    2 o  160.643   16.947 10813.63  2177.11   0.0000   0.0000 10813.63  2177.11  ?   ?   160.643   16.947 0.000000 16.94669 
1 1 1  -33   27    3 o   91.132   20.306  3610.50  1464.09   0.0000   0.0000  3610.50  1464.09  ?   ?    91.132   20.306 0.000000 20.30557 
1 1 1  -33   27    4 o  139.280   25.407  8527.19  2767.47 11725.63  3865.02  5162.04  3964.47  161.473   30.599  108.489   37.261 52.98351 48.21537 
1 1 1  -33   27    5 o  237.599   15.722 23547.14  3015.93 24577.26  5888.02 23180.75  3511.56  233.606   31.874  234.501   18.595 -0.8946991 36.90123 
1 1 1  -33   27    6 o  117.962   15.943  5895.76  1487.93  1963.86  3622.99  6693.50  1631.90   83.985   34.068  125.675   16.382 -41.68962 37.80193 
1 1 1  -33   27    7 o  208.392   15.443 18220.47  2594.52 18599.20  5010.51 18081.71  3032.79  200.728   31.802  206.263   18.298 -5.534592 36.69084 
1 1 1  -33   27    8 o  222.857   17.446 21102.47  3131.66 19324.75  5410.18 21998.27  3840.47  201.158   34.357  225.194   21.255 -24.03653 40.40026 
1 1 1  -33   27    9 o  168.490   16.302 12090.33  2202.35 10918.30  4242.91 12522.56  2576.65  147.773   35.750  170.130   18.976 -22.35699 40.47400 
1 1 1  -33   27   10 o  113.721   16.778  5605.85  1502.73  2571.13  3329.33  6382.29  1684.04   82.823   32.980  121.090   17.647 -38.26653 37.40472 
1 1 1  -33   27   11 o   90.515   17.954  3643.08  1272.95  3435.87  2999.66  3688.59  1405.81   86.604   32.099   90.374   19.713 -3.769135 37.66873 
1 1 1  -33   27   12 o  186.171   10.518 14471.56  1583.39 13319.75  4479.65 14636.01  1692.65  157.499   35.836  186.882   11.207 -29.38248 37.54725 
1 1 1  -33   27   13 o  331.377   15.479 47436.45  4165.01 46901.68  8972.90 47583.32  4702.28  285.137   39.845  328.523   17.693 -43.38596 43.59645 
1 1 1  -33   27   14 o  211.061   11.114 18833.86  1897.98 21317.48  5360.87 18477.93  2029.43  193.915   35.350  208.331   12.049 -14.41579 37.34690 
1 1 1  -33   27   15 o  153.365   12.302 10145.18  1519.04  8634.19  4929.07 10303.75  1596.76  106.120   40.742  154.139   12.876 -48.01885 42.72815 
1 1 1  -33   27   16 o   83.056   11.078  3000.11  728.485  2206.38  4010.19  3027.20  740.811   71.284   32.267   83.361   11.231 -12.07683 34.16563 
1 1 1  -33   27   17 o   38.646   17.570 -249.1675  1205.15   79.172  3944.28 -282.9767  1265.68   60.235   28.768   39.276   17.914 20.95848 33.88984 
1 1 1  -33   27   18 o   44.250   18.822  619.777  1183.36  1463.91  4431.40  554.960  1227.95   60.444   29.276   44.067   18.968 16.37677 34.88361 
1 1 1  -33   27   19 f   42.990   19.357  451.129  1421.12  1151.82  4006.27  350.270  1519.97   53.795   26.434   43.057   19.636 10.73823 32.92935 
1 1 1  -33   29    1 o  249.924   32.017 28577.60  6347.85   0.0000   0.0000 28577.60  6347.85  ?   ?   249.924   32.017 0.000000 32.01706 
1 1 1  -33   29    2 o  245.696   19.885 25773.13  3932.94   0.0000   0.0000 25773.13  3932.94  ?   ?   245.696   19.885 0.000000 19.88481 
1 1 1  -33   29    3 o  234.609   19.657 23528.05  3710.04   0.0000   0.0000 23528.05  3710.04  ?   ?   234.609   19.657 0.000000 19.65698 
1 1 1  -33   29    4 o   34.288   15.786 -716.4954  1013.99   0.0000   0.0000 -716.4954  1013.99  ?   ?    34.288   15.786 0.000000 15.78589 
1 1 1  -33   29    5 f   99.703   18.916  4353.67  1475.36  4424.42  3955.61  4342.24  1590.10   99.681   36.877   99.029   20.452 0.6516800 42.16926 
1 1 1  -33   29    6 o   44.444   18.118  381.607  1030.95  826.013  3127.88  327.444  1091.97   71.804   30.573   44.851   18.507 26.95227 35.73810 
1 1 1  -33   29    7 o  139.691   17.533  8423.76  1944.89  7862.78  4786.52  8534.69  2128.52  121.599   40.951  139.791   19.264 -18.19199 45.25568 
1 1 1  -33   29    8 o  106.518   18.159  4988.20  1514.24  4486.63  3748.27  5086.02  1655.33   97.007   35.896  106.851   19.809 -9.843857 40.99899 
1 1 1  -33   29    9 o   70.323   20.714  2232.79  1262.68  4566.81  3218.23  1808.12  1372.75   95.934   33.536   64.813   21.930 31.12032 40.06996 
1 1 1  -33   29   10 o   81.387   20.564  3049.20  1359.43  6509.27  3737.97  2521.80  1459.36  109.184   36.178   73.916   22.387 35.26735 42.54477 
1 1 1  -33   29   11 f   35.845   15.958 -241.6620  936.490 -7465.2959  3270.06  403.716  977.430   43.833   21.928   43.093   17.613 0.7395859 28.12584 
1 1 1  -33   29   12 o   44.866   18.446  451.142  1079.90  2682.50  3450.67  208.877  1137.01   78.820   32.741   43.285   18.432 35.53579 37.57272 
1 1 1  -33   29   13 o   35.909   11.248  545.095  364.624  4087.82  3517.32  506.610  366.599   85.278   33.917   34.932   11.317 50.34603 35.75572 
1 1 1  -33   29   14 o   92.342   9.3590  3616.89  692.036 11209.38  4228.80  3407.97  701.493  128.141   37.952   89.418   9.8238 38.72275 39.20309 
1 1 1  -33   29   15 o   91.765   10.214  3630.08  748.098  1496.94  4784.79  3683.54  757.413   69.441   32.727   92.417   10.267 -22.97661 34.29996 
1 1 1  -33   29   16 o   46.162   19.910  526.376  1358.33  4751.65  4720.33  144.908  1418.32   74.359   34.169   43.868   19.576 30.49065 39.37938 
1 1 1  -33   29   17 o   31.016   14.806 -903.1350  1042.22  1661.29  4970.10 -1021.0870  1065.92   60.405   29.634   30.783   14.769 29.62186 33.11043 
1 1 1  -33   29   18 o   51.798   21.980  1587.85  1607.02  1792.07  5788.04  1570.80  1672.78   55.165   27.808   51.699   22.194 3.466064 35.57859 
1 1 1  -33   31    1 o  128.399   23.051  7403.79  2314.92   0.0000   0.0000  7403.79  2314.92  ?   ?   128.399   23.051 0.000000 23.05128 
1 1 1  -33   31    2 o   96.480   24.850  4293.08  1958.59   0.0000   0.0000  4293.08  1958.59  ?   ?    96.480   24.850 0.000000 24.85005 
1 1 1  -33   31    3 o  141.918   21.860  8965.00  2438.12   0.0000   0.0000  8965.00  2438.12  ?   ?   141.918   21.860 0.000000 21.86005 
1 1 1  -33   31    4 o  108.836   22.855  5394.05  1955.42   0.0000   0.0000  5394.05  1955.42  ?   ?   108.836   22.855 0.000000 22.85484 
1 1 1  -33   31    5 o  129.675   19.506  7423.18  1990.22 10703.08  5212.79  6863.49  2153.34  137.632   42.433  123.100   22.367 14.53258 47.96731 
1 1 1  -33   31    6 o  181.546   18.758 14417.33  2725.20  9176.91  6529.52 15522.74  2998.88  122.477   46.923  187.536   20.003 -65.05828 51.00839 
1 1 1  -33   31    7 o   50.364   20.370  636.440  1291.25  3576.65  4334.07  350.040  1352.67   90.736   37.088   48.447   20.340 42.28903 42.29885 
1 1 1  -33   31    8 o  177.261   18.926 13931.78  2681.85  9681.23  6400.30 14837.02  2953.65  120.484   46.384  181.810   20.357 -61.32616 50.65436 
1 1 1  -33   31    9 o  195.915   19.391 17209.19  3044.16 16813.13  7202.66 17295.32  3358.91  150.087   50.236  194.196   21.672 -44.10883 54.71081 
1 1 1  -33   31   10 o  157.947   19.664 11374.42  2467.23 12994.00  5686.38 10998.82  2738.42  136.220   44.597  152.549   22.808 -16.32851 50.09116 
1 1 1  -33   31   11 o  105.959   21.911  5405.64  1822.90  2943.12  5294.44  5736.82  1941.61   82.958   37.357  108.586   22.750 -25.62733 43.73867 
1 1 1  -33   31   12 o   51.513   20.626  907.286  1309.51  3105.51  4822.31  732.283  1360.64   79.708   35.794   50.284   20.693 29.42372 41.34462 
1 1 1  -33   31   13 o   98.229   9.1527  4096.29  721.604  4719.74  5394.53  4084.93  728.148   81.864   37.201   98.044   9.2561 -16.17989 38.33554 
1 1 1  -33   31   14 f  132.970   21.335  9021.11  2225.59 18836.94  6193.38  7565.60  2384.90  130.922   46.457  115.758   26.008 15.16327 53.24165 
1 1 1  -33   31   15 o   42.428   18.873  188.111  1307.18 -1552.2209  5220.24  304.536  1350.20   58.052   28.824   43.767   19.338 14.28481 34.71030 
1 1 1  -33   31   16 o   86.906   25.514  5017.81  1918.44 10997.47  6170.55  4377.96  2018.48   74.817   35.801   78.088   26.591 -3.270767 44.59606 
1 1 1  -33   31   17 o   78.891   26.901  5107.41  2065.72  6392.35  7325.00  4996.39  2153.11   57.329   29.155   76.090   27.350 -18.76168 39.97538 
1 1 1  -33   33    1 o  181.949   22.660 14987.74  3275.11   0.0000   0.0000 14987.74  3275.11  ?   ?   181.949   22.660 0.000000 22.65953 
1 1 1  -33   33    2 o  225.567   22.696 23016.82  4100.39   0.0000   0.0000 23016.82  4100.39  ?   ?   225.567   22.696 0.000000 22.69596 
1 1 1  -33   33    3 o  115.920   25.145  6368.85  2298.61   0.0000   0.0000  6368.85  2298.61  ?   ?   115.920   25.145 0.000000 25.14467 
1 1 1  -33   33    4 o   78.847   26.078  2917.23  1942.47   0.0000   0.0000  2917.23  1942.47  ?   ?    78.847   26.078 0.000000 26.07775 
1 1 1  -33   33    5 o  196.090   22.696 17676.74  3546.78   0.0000   0.0000 17676.74  3546.78  ?   ?   196.090   22.696 0.000000 22.69569 
1 1 1  -33   33    6 o  164.064   21.130 12307.19  2749.46 14372.08  7364.88 11972.81  2963.73  135.973   50.316  159.722   23.560 -23.74847 55.55917 
1 1 1  -33   33    7 o   50.978   21.020  629.245  1407.56  2925.41  6015.44  496.244  1447.75   87.926   39.685   50.260   21.069 37.66667 44.93111 
1 1 1  -33   33    8 o  205.015   22.451 19830.24  3676.20  8686.47  8603.21 22319.49  4066.10  103.501   47.013  216.105   23.554 -112.6045 52.58335 
1 1 1  -33   33    9 o  232.880   22.118 25825.38  4132.04 27110.38 10233.06 25575.05  4516.63  147.952   58.165  227.501   24.855 -79.54877 63.25307 
1 1 1  -33   33   10 o  201.157   22.074 19635.28  3546.11 17793.16  8841.99 19988.36  3871.06  118.280   50.906  199.510   24.405 -81.23018 56.45362 
1 1 1  -33   33   11 o  144.415   23.727 10680.45  2685.59 14071.58  8492.21 10303.62  2830.88  101.381   46.304  138.923   26.053 -37.54271 53.13010 
1 1 1  -33   33   12 o  112.550   24.983  6949.79  2223.56  3239.58  7427.34  7315.05  2330.44   74.534   36.495  114.701   25.664 -40.16737 44.61515 
1 1 1  -33   33   13 o  134.299   24.465 10118.78  2569.55 17804.74  8190.60  9279.75  2706.16   93.060   43.528  123.441   27.682 -30.38113 51.58491 
1 1 1  -33   33   14 o   63.305   24.190  2514.72  1732.63  2980.98  7441.45  2488.00  1781.59   63.432   31.918   62.866   24.396 0.5667572 40.17394 
1 1 1  -33   33   15 o   40.457   18.829 -93.2914  1502.34 10097.25  7484.77 -521.0875  1533.55   64.503   32.397   38.555   18.278 25.94853 37.19695 
1 1 1  -33   35    1 o   95.209   29.380  4715.24  2498.36   0.0000   0.0000  4715.24  2498.36  ?   ?    95.209   29.380 0.000000 29.37999 
1 1 1  -33   35    2 f   40.182   19.299 -2143.4170  1830.59   0.0000   0.0000 -2143.4170  1830.59  ?   ?    40.182   19.299 0.000000 19.29932 
1 1 1  -33   35    3 o   66.413   26.215  1747.28  2086.47   0.0000   0.0000  1747.28  2086.47  ?   ?    66.413   26.215 0.000000 26.21476 
1 1 1  -33   35    4 o   48.162   21.886 -513.9136  1867.21   0.0000   0.0000 -513.9136  1867.21  ?   ?    48.162   21.886 0.000000 21.88643 
1 1 1  -33   35    5 f   42.104   19.476 -842.5463  1570.45   0.0000   0.0000 -842.5463  1570.45  ?   ?    42.104   19.476 0.000000 19.47650 
1 1 1  -33   35    6 o   45.765   20.544 -235.5013  1587.24   0.0000   0.0000 -235.5013  1587.24  ?   ?    45.765   20.544 0.000000 20.54431 
1 1 1  -33   35    7 o   62.034   24.583  1613.34  1841.42  5070.75  8883.94  1458.13  1882.29   87.950   42.312   60.915   24.610 27.03495 48.94825 
1 1 1  -33   35    8 o  100.657   27.078  5590.36  2261.47  2337.43  9376.38  5791.28  2330.27   80.760   39.831  102.057   27.500 -21.29749 48.40199 
1 1 1  -33   35    9 o   58.260   23.758  1414.69  1773.34  3773.35  7882.78  1288.95  1819.99   78.353   38.198   57.475   23.818 20.87734 45.01568 
1 1 1  -33   35   10 o   46.850   21.053  109.304  1671.44  3448.18  8479.72 -25.6625  1704.89   73.875   36.691   46.360   21.007 27.51559 42.27879 
1 1 1  -33   35   11 o   49.238   21.780  574.956  1717.55  144.510 10089.36  587.802  1742.99   66.932   34.056   49.514   21.920 17.41782 40.50059 
1 1 1  -33   35   12 o   66.473   25.770  2953.70  1986.37  1386.33  9395.03  3027.04  2032.32   62.831   32.051   66.898   26.030 -4.066769 41.28939 
1 1 1  -33   35   13 o   67.280   26.284  3495.31  2078.79 14235.81 10023.87  3012.63  2124.99   65.278   33.282   63.056   25.894 2.221992 42.16846 
1 1 1  -33   37    1 o  124.941   35.090  9783.19  3706.42   0.0000   0.0000  9783.19  3706.42  ?   ?   124.941   35.090 0.000000 35.08979 
1 1 1  -33   37    2 o   61.207   26.491  1069.21  2421.73   0.0000   0.0000  1069.21  2421.73  ?   ?    61.207   26.491 0.000000 26.49089 
1 1 1  -33   37    3 f   67.999   27.478  2174.84  2347.13   0.0000   0.0000  2174.84  2347.13  ?   ?    67.999   27.478 0.000000 27.47755 
1 1 1  -33   37    4 f  165.898   32.578 16366.76  4231.74   0.0000   0.0000 16366.76  4231.74  ?   ?   165.898   32.578 0.000000 32.57780 
1 1 1  -33   37    5 o  124.748   31.931  9586.32  3248.03   0.0000   0.0000  9586.32  3248.03  ?   ?   124.748   31.931 0.000000 31.93139 
1 1 1  -33   37    6 o  140.324   31.709 12191.48  3527.79   0.0000   0.0000 12191.48  3527.79  ?   ?   140.324   31.709 0.000000 31.70904 
1 1 1  -33   37    7 o   62.463   26.592  1874.32  2365.59  9183.27 12398.78  1598.21  2409.86   78.055   39.506   60.864   26.384 17.19059 47.50655 
1 1 1  -33   37    8 o  171.523   30.052 18529.63  4032.87  9803.86 13336.92 19407.78  4230.94   73.833   37.708  173.142   31.245 -99.30939 48.97043 
1 1 1  -33   37    9 o  148.265   31.567 15156.03  3683.71 19342.13 14099.99 14849.38  3816.25   73.272   37.526  142.093   33.604 -68.82099 50.37345 
1 1 1  -33   37   10 o   53.862   24.138  1337.51  2181.41 -8049.7192 10689.15  1745.46  2228.30   57.092   29.409   56.307   24.862 0.7850266 38.51017 
1 1 1  -33   37   11 o   74.757   28.547  4903.80  2411.87 -4974.9668 13146.29  5247.89  2453.51   55.680   28.847   77.074   28.938 -21.39375 40.86017 
1 1 1  -33   39    1 o   76.329   32.450  4387.56  3514.07   0.0000   0.0000  4387.56  3514.07  ?   ?    76.329   32.450 0.000000 32.45041 
1 1 1  -33   39    2 o   36.606   18.335 -4652.0342  2318.42   0.0000   0.0000 -4652.0342  2318.42  ?   ?    36.606   18.335 0.000000 18.33483 
1 1 1  -33   39    3 o   72.727   30.640  3814.35  3086.86   0.0000   0.0000  3814.35  3086.86  ?   ?    72.727   30.640 0.000000 30.63978 
1 1 1  -33   39    4 o   90.373   34.077  7062.80  3409.68   0.0000   0.0000  7062.80  3409.68  ?   ?    90.373   34.077 0.000000 34.07740 
1 1 1  -33   39    5 o   55.303   25.515  896.654  2669.15   0.0000   0.0000  896.654  2669.15  ?   ?    55.303   25.515 0.000000 25.51484 
1 1 1  -33   39    6 o   57.662   26.205  1672.81  2677.37   0.0000   0.0000  1672.81  2677.37  ?   ?    57.662   26.205 0.000000 26.20519 
1 1 1  -33   39    7 o   68.144   28.999  4018.84  2811.37   0.0000   0.0000  4018.84  2811.37  ?   ?    68.144   28.999 0.000000 28.99919 
1 1 1  -32    0    3 o  173.598   13.843 12473.74  1922.67 12473.74  1922.67   0.0000   0.0000  173.598   13.843  173.598   13.843 0.000000 0.000000 
1 1 1  -32    0    4 o  893.872   62.076 332715.50 44555.41 332715.50 44555.41   0.0000   0.0000  893.872   62.076  893.872   62.076 0.000000 0.000000 
1 1 1  -32    0    6 o  1069.80   52.759 471941.69 45574.36 425741.00 64500.71 518002.69 64403.17  1005.05   80.214  1114.08   71.882 0.000000 0.000000 
1 1 1  -32    0    7 o  687.669   32.935 194003.20 18293.40 203288.09 25920.11 184788.59 25821.71  700.672   46.015  666.914   48.265 0.000000 0.000000 
1 1 1  -32    0    8 o  420.348   20.589 72375.36  6988.88 75568.53  9936.74 69249.39  9831.64  427.801   28.909  408.995   29.975 0.000000 0.000000 
1 1 1  -32    0    9 o  139.205   8.6363  7960.97  967.546 10143.63  1439.15  6160.70  1307.01  156.768   11.446  120.823   13.787 0.000000 0.000000 
1 1 1  -32    0   10 f  212.980   11.667 18600.44  2003.80 18811.36  2899.10 18407.51  2772.74  213.006   17.012  210.816   16.428 0.000000 0.000000 
1 1 1  -32    0   11 o  190.314   10.785 14862.32  1654.39 16213.74  2417.19 13671.35  2269.16  197.878   15.253  181.287   15.686 0.000000 0.000000 
1 1 1  -32    0   12 o  587.762   28.255 142451.30 13413.26 154347.30 19038.11 130726.00 18901.06  607.911   38.936  557.358   42.326 0.000000 0.000000 
1 1 1  -32    0   13 o  535.460   26.478 118268.90 11447.83 116766.10 16261.96 119745.30 16118.35  527.410   38.443  534.591   37.559 0.000000 0.000000 
1 1 1  -32    0   14 o   43.068   12.747  927.577  387.671 -119.7475  750.039  1309.37  452.852   23.728   15.562   53.128   12.039 0.000000 0.000000 
1 1 1  -32    0   15 o  322.019   16.698 42633.21  4339.15 42049.98  6231.49 43182.19  6045.70  317.475   24.510  322.174   23.394 0.000000 0.000000 
1 1 1  -32    0   16 o   29.524   14.353  522.362  403.688  357.721  843.299  571.307  459.793   30.487   18.461   30.865   15.264 0.000000 0.000000 
1 1 1  -32    0   17 o   15.336   10.471 -251.9556  406.837 -639.8854  813.330 -122.4997  469.841   20.733   14.321   18.216   12.071 0.000000 0.000000 
1 1 1  -32    0   18 o  167.988   10.778 11643.72  1456.19 11582.02  2187.39 11692.83  1951.48  165.681   16.645  167.214   14.631 0.000000 0.000000 
1 1 1  -32    0   19 o  177.659   11.379 13054.24  1625.95 14617.00  2588.31 12035.54  2089.75  185.941   17.500  169.086   15.522 0.000000 0.000000 
1 1 1  -32    0   20 o   14.668   10.090 -283.1913  393.968  1368.85  1616.84 -387.4687  406.212   48.348   27.178   14.053   9.8024 0.000000 0.000000 
1 1 1  -32    0   21 o  197.426   12.694 16232.33  2015.55 15185.62  3169.81 16942.78  2611.48  186.316   21.724  200.147   16.319 0.000000 0.000000 
1 1 1  -32    0   22 f  153.054   11.724  9812.26  1437.31  8452.64  2485.31 10495.52  1761.83  134.122   25.502  157.365   14.046 0.000000 0.000000 
1 1 1  -32    0   23 o  135.160   12.268  7743.73  1320.82  6888.47  2632.34  8031.52  1526.96  112.504   33.154  136.804   14.089 0.000000 0.000000 
1 1 1  -32    0   24 o   28.965   16.125  495.681  562.509  1194.77  1816.29  421.514  591.596   45.494   27.319   27.826   16.104 0.000000 0.000000 
1 1 1  -32    0   25 o   26.415   15.579  365.741  571.158   0.0000   0.0000  365.741  571.158   26.415   15.579   26.415   15.579 0.000000 0.000000 
1 1 1  -32    0   26 o   33.269   17.320  729.820  609.467   0.0000   0.0000  729.820  609.467   33.269   17.320   33.269   17.320 0.000000 0.000000 
1 1 1  -32    2    1 o  438.788   31.663 79047.44 11205.26   0.0000   0.0000 79047.44 11205.26  ?   ?   438.788   31.663 0.000000 31.66327 
1 1 1  -32    2    2 o  518.560   35.830 110551.10 14993.81 110551.10 14993.81   0.0000   0.0000  518.560   35.830  ?   ?  0.000000 35.83000 
1 1 1  -32    2    3 o  796.918   55.096 263889.31 35432.29 263889.31 35432.29   0.0000   0.0000  796.918   55.096  ?   ?  0.000000 55.09618 
1 1 1  -32    2    4 o  779.424   37.948 248847.80 24015.95 230038.20 34011.70 267551.50 33915.87  743.276   56.786  803.378   52.278 -60.10181 77.18525 
1 1 1  -32    2    5 o  514.842   20.148 107888.10  8422.74 113024.70 14648.09 105350.90 10294.86  524.532   34.587  508.405   24.939 16.12671 42.64041 
1 1 1  -32    2    6 o  743.808   29.196 225904.80 17632.63 207492.91 30594.53 235062.09 21576.48  706.108   53.766  757.773   35.067 -51.66498 64.19144 
1 1 1  -32    2    7 o  796.919   39.184 260892.80 25354.72 229944.20 35904.59 291677.91 35809.57  740.019   60.278  837.018   52.963 -96.99982 80.24026 
1 1 1  -32    2    8 o  385.508   15.430 60477.99  4829.98 62763.08  8313.99 59313.88  5934.06  390.978   26.342  381.051   19.241 9.927338 32.62146 
1 1 1  -32    2    9 o  501.248   16.653 102400.50  6777.56 101429.00  9581.94 103373.30  9587.90  497.874   23.703  502.658   23.492 -4.784088 33.37167 
1 1 1  -32    2   10 o  329.343   11.286 44144.95  3017.94 43471.08  4263.00 44822.00  4273.04  326.403   16.085  331.457   15.877 -5.054260 22.60112 
1 1 1  -32    2   11 o  616.447   24.446 156535.50 12236.01 151692.50 21232.56 158943.70 14972.20  595.760   44.208  619.009   29.789 -23.24896 53.30768 
1 1 1  -32    2   12 o  503.693   17.513 103887.60  7162.56 103657.10 10119.62 104119.10 10139.18  500.962   24.878  502.080   24.871 -1.117737 35.17804 
1 1 1  -32    2   13 o  160.083   6.9546 10420.40  903.979 10947.15  1257.06  9856.26  1300.90  163.694   9.4985  155.195   10.383 8.499069 14.07258 
1 1 1  -32    2   14 o  361.079   12.493 53250.42  3662.68 53101.17  5167.40 53401.11  5192.32  359.488   17.703  360.493   17.739 -1.005096 25.06128 
1 1 1  -32    2   15 o   44.725   8.8012  843.313  308.239  633.873  396.976  1161.30  489.147   39.148   11.636   52.290   11.801 -13.14201 16.57272 
1 1 1  -32    2   16 o  168.644   7.3049 11580.92  1000.29 11197.23  1400.94 11979.97  1428.72  165.239   10.496  170.964   10.341 -5.724380 14.73432 
1 1 1  -32    2   17 o  287.144   10.696 33750.82  2493.74 31890.41  3511.60 35643.53  3541.95  277.405   15.654  293.594   14.907 -16.18942 21.61633 
1 1 1  -32    2   18 o  201.576   8.2268 16614.50  1346.50 15277.82  1873.82 18041.66  1936.20  192.151   12.071  209.061   11.450 -16.90971 16.63778 
1 1 1  -32    2   19 o   83.559   7.3858  2880.67  495.946  2363.58  683.471  3455.73  720.760   74.676   11.652   91.047   9.9097 -16.37035 15.29637 
1 1 1  -32    2   20 o  214.971   8.6443 19059.90  1508.85 17872.22  2119.55 20280.16  2148.43  205.936   12.738  219.812   12.084 -13.87585 17.55793 
1 1 1  -32    2   21 o   41.602   11.512  750.988  402.035  596.139  519.398  982.430  634.990   38.914   13.480   47.651   14.830 -8.737488 20.04068 
1 1 1  -32    2   22 o   64.720   9.9383  1796.21  505.565  2139.45  682.353  1378.46  752.779   69.783   12.502   55.040   15.932 14.74263 20.25134 
1 1 1  -32    2   23 o   81.503   8.9381  2826.64  581.798  2965.61  789.739  2661.69  860.364   81.942   12.245   76.414   14.395 5.527267 18.89850 
1 1 1  -32    2   24 o   65.520   9.5553  1874.07  493.383  2240.76  646.473  1362.54  763.549   70.619   11.683   52.933   16.227 17.68546 19.99502 
1 1 1  -32    2   25 o   89.963   9.3895  3571.43  675.769  3737.88  895.339  3351.09  1030.14   89.252   12.714   81.174   16.197 8.078316 20.59107 
1 1 1  -32    2   26 o   30.325   11.795  363.333  417.236 -180.3380  527.230  1274.38  682.500   24.880   11.428   47.986   15.431 -23.10597 19.20191 
1 1 1  -32    4    1 o  892.565   62.368 332413.41 44916.14   0.0000   0.0000 332413.41 44916.14  ?   ?   892.565   62.368 0.000000 62.36809 
1 1 1  -32    4    2 o  929.013   64.514 360782.19 48363.14 360782.19 48363.14   0.0000   0.0000  929.013   64.514  ?   ?  0.000000 64.51425 
1 1 1  -32    4    3 o  498.501   34.736 102112.80 13972.27 102112.80 13972.27   0.0000   0.0000  498.501   34.736  ?   ?  0.000000 34.73640 
1 1 1  -32    4    4 o  1274.96   90.430 696319.31 93008.40 696319.31 93008.40   0.0000   0.0000  1274.96   90.430  ?   ?  0.000000 90.43016 
1 1 1  -32    4    5 o  363.612   14.512 53749.60  4284.60 56358.63  7490.67 52480.91  5223.46  371.005   25.012  359.168   17.911 11.83743 30.76354 
1 1 1  -32    4    6 o  612.765   29.686 153385.20 14769.97 146789.59 20920.88 159939.41 20855.06  595.810   43.546  622.563   41.494 -26.75275 60.15011 
1 1 1  -32    4    7 o  709.814   28.208 205901.09 16257.49 185031.20 28209.01 216280.50 19893.60  665.551   52.629  726.461   33.726 -60.90924 62.50797 
1 1 1  -32    4    8 o  381.075   18.914 59187.61  5852.22   0.0000   0.0000 59187.61  5852.22  ?   ?   381.075   18.914 0.000000 18.91351 
1 1 1  -32    4    9 o  287.570   12.036 33648.21  2810.38 34761.82  4907.15 33104.67  3428.30  290.901   20.915  284.685   14.883 6.216064 25.66960 
1 1 1  -32    4   10 o  205.563   8.2779 17179.77  1381.68 20365.96  1945.28 13935.90  1962.81  223.708   10.709  184.473   13.191 39.23409 16.99102 
1 1 1  -32    4   11 o  220.208   8.5858 19723.25  1535.15 21407.68  2159.21 18001.44  2183.04  228.946   11.654  209.743   12.881 19.20294 17.37012 
1 1 1  -32    4   12 o  327.262   12.991 43692.49  3452.05 40695.05  4216.81 49782.89  6010.79  314.939   16.548  347.252   21.423 -32.31284 27.06968 
1 1 1  -32    4   13 o  365.131   12.087 54391.12  3583.43 63978.32  5054.65 44704.00  5080.92  395.334   15.747  329.294   19.085 66.03925 24.74237 
1 1 1  -32    4   14 o  138.348   6.6568  7784.32  747.792  7798.39  1034.01  7768.89  1082.75  138.051   9.2785  137.732   9.7447 0.3184052 13.45542 
1 1 1  -32    4   15 o  131.089   6.6626  7009.24  706.834  7107.60  976.431  6900.96  1024.53  131.734   9.1861  129.717   9.7995 2.017227 13.43188 
1 1 1  -32    4   16 o  326.940   12.357 43776.20  3280.27 44516.85  4619.19 43022.72  4659.06  327.853   17.414  322.116   17.884 5.737732 24.96179 
1 1 1  -32    4   17 o  241.685   9.1298 23863.51  1791.62 24021.34  2513.49 23700.48  2554.49  241.408   12.869  239.699   13.176 1.709030 18.41780 
1 1 1  -32    4   18 o  255.650   9.8563 26822.38  2045.95 24035.81  2843.83 29812.14  2945.69  240.031   14.662  267.905   13.586 -27.87439 19.98863 
1 1 1  -32    4   19 o  180.449   7.8756 13354.13  1153.92 12440.13  1605.36 14331.11  1659.76  172.823   11.506  185.719   11.057 -12.89539 15.95727 
1 1 1  -32    4   20 f  180.987   8.1518 13492.21  1197.95 13762.29  1690.17 13219.57  1698.17  181.151   11.551  177.376   11.859 3.774704 16.55501 
1 1 1  -32    4   21 o   78.358   8.4546  2570.77  529.393  2173.48  688.244  3146.42  828.451   70.721   12.440   85.465   12.292 -14.74422 17.48817 
1 1 1  -32    4   22 f   31.982   11.556  375.530  384.959  586.426  467.230 -70.2458  679.290   37.826   12.794   31.608   13.849 6.217926 18.85445 
1 1 1  -32    4   23 o   57.889   9.9127  1458.60  449.177  1842.18  549.958  690.033  778.479   64.835   10.829   42.709   16.240 22.12603 19.51915 
1 1 1  -32    4   24 o   58.841   10.580  1543.57  486.913  1250.07  586.276  2196.10  874.181   51.471   13.762   66.908   16.252 -15.43748 21.29628 
1 1 1  -32    4   25 o  120.281   9.7914  6420.27  947.965  6036.45  1209.24  7032.24  1526.89  112.477   13.511  117.503   16.455 -5.025566 21.29123 
1 1 1  -32    4   26 o   33.254   14.519  279.369  740.827   0.0000   0.0000  279.369  740.827  ?   ?    33.254   14.519 0.000000 14.51948 
1 1 1  -32    6    1 o  1068.89   75.044 481195.41 64717.76   0.0000   0.0000 481195.41 64717.76  ?   ?   1068.89   75.044 0.000000 75.04394 
1 1 1  -32    6    2 o  1125.81   78.894 535911.62 71662.32 535911.62 71662.32   0.0000   0.0000  1125.81   78.894  ?   ?  0.000000 78.89368 
1 1 1  -32    6    3 o  538.884   26.683 118407.30 11675.38 91535.95 16539.29 145098.59 16483.81  470.122   43.833  594.736   34.280 -124.6141 55.64598 
1 1 1  -32    6    4 o  770.426   37.063 243076.09 23185.25 229223.91 32800.05 256909.59 32777.74  742.456   54.796  787.273   51.561 -44.81738 75.24017 
1 1 1  -32    6    5 o  792.490   38.221 257517.00 24594.24 227519.80 34790.92 287481.81 34772.10  737.868   58.551  832.414   51.702 -94.54608 78.11050 
1 1 1  -32    6    6 o  962.479   37.644 380223.81 29418.81 364002.69 51006.64 388309.81 36012.28  928.079   68.164  970.158   45.716 -42.07959 82.07465 
1 1 1  -32    6    7 o  265.776   11.962 28716.95  2581.38 15758.72  4517.03 35001.29  3145.65  194.040   29.608  293.376   13.205 -99.33614 32.41892 
1 1 1  -32    6    8 o  446.908   22.199 81606.18  8055.40   0.0000   0.0000 81606.18  8055.40  ?   ?   446.908   22.199 0.000000 22.19887 
1 1 1  -32    6    9 o  146.305   7.7149  8723.48  913.253  5640.46  1651.87 10080.63  1095.98  116.178   18.101  157.237   8.6172 -41.05899 20.04732 
1 1 1  -32    6   10 o  362.333   14.730 53562.62  4333.46 59136.60  7555.16 50829.75  5290.18  378.260   24.735  351.980   18.576 26.27991 30.93370 
1 1 1  -32    6   11 o  721.443   28.462 215790.59 16672.59 250172.20 28921.11 198677.00 20404.40  762.079   46.968  686.643   36.731 75.43677 59.62472 
1 1 1  -32    6   12 o  362.247   18.095 53798.86  5322.21 59609.23  7566.05 48107.69  7488.04  378.951   24.725  339.393   27.406 39.55795 36.91096 
1 1 1  -32    6   13 o  378.883   13.976 58679.40  4299.51 59881.52  6065.79 57465.61  6095.17  380.987   19.675  373.043   20.198 7.943970 28.19724 
1 1 1  -32    6   14 o  101.941   6.0606  4240.33  499.399  4301.71  669.636  4163.41  749.628  102.478   8.1140  100.665   9.2756 1.812164 12.32370 
1 1 1  -32    6   15 o  269.711   10.023 29680.05  2194.92 28842.80  3088.32 30534.62  3120.09  264.799   14.418  272.542   14.148 -7.742615 20.20010 
1 1 1  -32    6   16 o  287.064   10.520 33679.96  2451.97 33741.73  3447.17 33616.69  3488.42  285.999   14.896  285.403   15.107 0.5956421 21.21578 
1 1 1  -32    6   17 o  250.282   9.7464 25628.52  1980.67 26886.13  2780.60 24333.16  2822.02  255.117   13.471  242.367   14.405 12.75050 19.72232 
1 1 1  -32    6   18 o  272.101   10.002 30426.72  2209.72 27422.54  3096.87 33542.60  3153.93  256.009   14.963  284.207   13.667 -28.19775 20.26545 
1 1 1  -32    6   19 o  160.837   7.7056 10611.45  1006.31 11157.61  1400.64 10028.71  1446.76  163.859   10.584  154.958   11.582 8.901047 15.68979 
1 1 1  -32    6   20 o  149.626   7.6321  9233.73  924.154  8413.77  1289.89 10098.55  1324.71  141.476   11.324  155.404   10.561 -13.92781 15.48414 
1 1 1  -32    6   21 o   79.066   8.5819  2621.55  542.101  2491.08  652.098  2913.42  975.357   76.343   10.823   80.802   15.429 -4.458870 18.84637 
1 1 1  -32    6   22 o  164.324   8.3990 11284.56  1116.89  9883.13  1523.09 12914.81  1642.74  151.138   12.524  173.523   11.728 -22.38495 17.15808 
1 1 1  -32    6   23 o   84.663   8.1479  3031.58  553.199  2944.94  681.691  3198.70  946.711   82.411   10.420   83.636   14.464 -1.225830 17.82674 
1 1 1  -32    6   24 o  102.405   9.0116  4521.82  741.680  4466.43  881.445  4656.14  1372.58  100.378   10.995   95.959   18.284 4.418800 21.33503 
1 1 1  -32    6   25 o   40.355   11.750  772.560  408.409  871.042  464.383  436.314  858.075   42.488   12.575   37.771   16.046 4.717239 20.38643 
1 1 1  -32    6   26 o   46.915   17.770  1368.93  929.804   0.0000   0.0000  1368.93  929.804  ?   ?    46.915   17.770 0.000000 17.77009 
1 1 1  -32    8    1 o  731.610   51.236 221790.59 30244.11   0.0000   0.0000 221790.59 30244.11  ?   ?   731.610   51.236 0.000000 51.23566 
1 1 1  -32    8    2 o  241.419   12.368 23746.68  2416.26 29950.24  3499.16 18092.70  3340.56  270.925   15.977  209.919   19.834 61.00572 25.46868 
1 1 1  -32    8    3 o  1046.75   73.371 462400.81 61965.73 462400.81 61965.73   0.0000   0.0000  1046.75   73.371  ?   ?  0.000000 73.37085 
1 1 1  -32    8    4 o  555.129   26.972 125747.00 12157.64 121336.70 17217.56 130132.80 17169.53  542.382   39.364  562.123   37.838 -19.74042 54.60025 
1 1 1  -32    8    5 o  144.554   9.1461  8522.91  1067.97  8091.53  1519.16  8944.42  1501.68  140.431   13.489  147.799   12.635 -7.367477 18.48199 
1 1 1  -32    8    6 o  371.600   18.548 56243.14  5596.51 52249.08  7926.12 60214.20  7903.25  356.418   27.603  383.103   25.554 -26.68491 37.61556 
1 1 1  -32    8    7 o  822.995   33.447 278750.69 22350.48 225425.50 38772.22 305289.59 27352.47  723.081   66.793  859.109   39.211 -136.0281 77.45216 
1 1 1  -32    8    8 o  706.026   35.757 207059.20 20431.52   0.0000   0.0000 207059.20 20431.52  ?   ?   706.026   35.757 0.000000 35.75692 
1 1 1  -32    8    9 o  219.218   9.8628 19549.79  1755.56 17938.71  3113.04 20301.08  2125.84  208.647   18.569  222.985   11.783 -14.33844 21.99235 
1 1 1  -32    8   10 o  506.437   20.352 105184.80  8369.14 114863.80 14557.51 100406.50 10228.44  523.305   34.453  492.709   25.656 30.59613 42.95630 
1 1 1  -32    8   11 o  397.321   16.098 64551.84  5193.51 74853.93  9059.82 59509.46  6338.32  424.521   26.414  380.080   20.615 44.44031 33.50682 
1 1 1  -32    8   12 o   89.352   7.3327  3268.64  527.305  2966.73  1007.78  3382.45  618.764   83.879   15.363   90.778   8.4934 -6.898872 17.55473 
1 1 1  -32    8   13 o  252.132   11.070 25926.69  2266.35 26404.08  3996.10 25700.33  2751.70  252.479   19.647  250.379   13.586 2.100006 23.88729 
1 1 1  -32    8   14 o  224.643   10.302 20583.92  1879.21 19099.69  3324.11 21281.08  2278.19  214.316   19.310  227.854   12.360 -13.53886 22.92666 
1 1 1  -32    8   15 o  387.484   16.138 61792.80  5077.29 58272.01  8885.27 63499.84  6186.89  369.223   29.894  391.599   19.458 -22.37625 35.66887 
1 1 1  -32    8   16 o  271.018   10.295 30028.61  2265.46 29911.50  3189.25 30147.89  3218.63  269.150   14.649  270.190   14.727 -1.040405 20.77151 
1 1 1  -32    8   17 o  190.128   7.6522 14754.98  1181.33 12630.62  1628.14 17116.68  1716.68  174.949   11.526  204.059   10.395 -29.11081 15.52134 
1 1 1  -32    8   18 o   90.822   6.7507  3388.00  494.266  2858.02  636.057  4195.84  785.291   82.840   9.6363  100.556   9.7401 -17.71616 13.70141 
1 1 1  -32    8   19 o  141.120   7.8690  8204.56  898.079  9400.33  1237.49  6873.99  1305.38  150.364   10.196  127.585   12.772 22.77924 16.34300 
1 1 1  -32    8   20 o   69.863   7.9857  2037.40  444.865  2025.58  564.549  2056.76  722.563   69.020   10.396   68.609   13.451 0.4103165 17.00056 
1 1 1  -32    8   21 o   85.379   7.8014  3039.56  534.856  3256.11  674.291  2672.13  878.331   87.812   9.6141   77.576   14.477 10.23646 17.37826 
1 1 1  -32    8   22 o   52.317   9.6382  1185.54  394.344  968.613  451.417  1884.40  810.243   46.652   11.884   63.833   15.733 -17.18053 19.71717 
1 1 1  -32    8   23 o   62.257   8.9833  1670.29  440.970  1288.00  517.317  2686.37  843.378   53.299   12.215   76.501   14.097 -23.20216 18.65293 
1 1 1  -32    8   24 o   24.602   10.111  120.676  324.295  187.756  352.056 -255.0497  833.202   26.642   10.685   31.778   14.510 -5.135786 18.01988 
1 1 1  -32    8   25 o   72.400   9.4697  2354.12  543.347  1947.90  627.460  3571.92  1086.40   63.497   12.615   81.738   16.926 -18.24126 21.11003 
1 1 1  -32   10    1 o  466.304   33.710 89441.62 12677.50   0.0000   0.0000 89441.62 12677.50  ?   ?   466.304   33.710 0.000000 33.71021 
1 1 1  -32   10    2 o  640.104   33.973 168215.00 17593.99   0.0000   0.0000 168215.00 17593.99  ?   ?   640.104   33.973 0.000000 33.97297 
1 1 1  -32   10    3 o  491.799   34.397 99575.03 13649.04   0.0000   0.0000 99575.03 13649.04  ?   ?   491.799   34.397 0.000000 34.39693 
1 1 1  -32   10    4 o  544.411   37.995 122415.10 16689.91   0.0000   0.0000 122415.10 16689.91  ?   ?   544.411   37.995 0.000000 37.99451 
1 1 1  -32   10    5 o  222.699   12.649 20233.04  2277.75 15263.75  3271.09 24910.52  3173.58  192.283   21.310  246.872   15.917 -54.58865 26.59799 
1 1 1  -32   10    6 o  110.892   8.4973  5026.37  759.284  4934.96  1123.92  5103.12  1029.82  109.381   12.903  111.424   11.550 -2.042671 17.31778 
1 1 1  -32   10    7 o  683.086   32.987 192780.09 18296.08 207655.41 25914.04 177995.00 25835.26  702.041   45.710  647.720   49.498 54.32080 67.37534 
1 1 1  -32   10    8 o  200.634   10.506 16423.59  1705.59   0.0000   0.0000 16423.59  1705.59  ?   ?   200.634   10.506 0.000000 10.50618 
1 1 1  -32   10    9 o  604.086   24.215 150204.80 11877.45 155097.80 20668.40 147792.20 14513.25  604.082   42.407  596.303   30.072 7.779297 51.98688 
1 1 1  -32   10   10 o  291.388   12.818 34620.63  3032.60 32311.65  5350.11 35713.69  3681.08  279.053   23.841  295.274   15.407 -16.22144 28.38619 
1 1 1  -32   10   11 o  301.691   12.683 37130.20  3106.81 39120.43  5476.19 36185.58  3772.74  307.416   22.086  297.044   15.698 10.37173 27.09648 
1 1 1  -32   10   12 o  286.709   12.162 33543.74  2831.24 34782.36  4999.17 32958.87  3435.26  289.657   21.407  283.439   14.980 6.217804 26.12799 
1 1 1  -32   10   13 o  116.482   7.7539  5546.16  729.176  5034.98  1378.38  5744.80  859.252  109.693   15.942  118.422   9.0036 -8.728683 18.30922 
1 1 1  -32   10   14 o  345.895   14.578 49066.79  4094.36 45347.71  7192.53 50849.70  4979.98  327.413   27.304  351.357   17.456 -23.94379 32.40702 
1 1 1  -32   10   15 o  464.288   19.184 89368.20  7232.24 82776.23 12640.90 92575.96  8818.05  434.324   36.174  470.365   23.089 -36.04141 42.91420 
1 1 1  -32   10   16 o   70.341   9.9310  2062.67  551.425  586.877  1140.36  2513.05  629.974   49.073   19.377   77.718   10.232 -28.64523 21.91259 
1 1 1  -32   10   17 o  152.898   9.7830  9628.02  1208.18  4248.17  2187.75 11988.72  1449.21   96.931   26.866  170.504   10.519 -73.57277 28.85188 
1 1 1  -32   10   18 o  131.314   9.5852  7137.52  1014.94  8895.18  2253.36  6690.18  1136.78  142.482   20.031  126.674   11.166 15.80814 22.93281 
1 1 1  -32   10   19 o  116.638   9.5379  5662.71  895.396  6573.28  1954.17  5420.74  1007.36  120.724   20.680  113.621   11.059 7.103256 23.45114 
1 1 1  -32   10   20 o  209.721   8.8112 18225.86  1500.43 18033.88  2100.72 18425.79  2143.80  206.099   12.614  208.243   12.740 -2.143707 17.92814 
1 1 1  -32   10   21 o  124.324   7.8046  6428.34  783.849  6731.07  1042.06  6033.84  1189.59  126.153   10.262  118.214   12.587 7.939415 16.24021 
1 1 1  -32   10   22 o   82.127   8.0345  2840.33  528.916  2367.27  646.116  3801.32  920.892   73.685   11.148   92.956   12.519 -19.27142 16.76307 
1 1 1  -32   10   23 o  180.033   9.0905 13823.19  1324.55 13075.50  1824.01 14657.36  1926.60  170.539   13.277  180.667   13.225 -10.12738 18.73995 
1 1 1  -32   10   24 o   52.486   18.885  1455.98  1026.85   0.0000   0.0000  1455.98  1026.85  ?   ?    52.486   18.885 0.000000 18.88534 
1 1 1  -32   10   25 o   22.096   9.9088 -80.8485  368.214 -442.3108  402.650  1765.32  909.981   19.204   9.1772   54.912   17.834 -35.70788 20.05655 
1 1 1  -32   12    1 o  403.340   29.940 66996.57  9735.44   0.0000   0.0000 66996.57  9735.44  ?   ?   403.340   29.940 0.000000 29.94028 
1 1 1  -32   12    2 o  839.903   41.350 291507.69 28199.34 319524.91 39840.16 263378.41 39919.73  871.029   56.639  787.102   62.990 83.92749 84.70973 
1 1 1  -32   12    3 o  503.226   36.180 104840.40 14684.76 104840.40 14684.76   0.0000   0.0000  503.226   36.180  ?   ?  0.000000 36.18044 
1 1 1  -32   12    4 o  806.490   57.599 276491.09 37470.06 276491.09 37470.06   0.0000   0.0000  806.490   57.599  ?   ?  0.000000 57.59882 
1 1 1  -32   12    7 o  669.649   47.992 191585.00 25921.75   0.0000   0.0000 191585.00 25921.75  ?   ?   669.649   47.992 0.000000 47.99194 
1 1 1  -32   12    8 o  911.548   68.656 375898.09 50442.66   0.0000   0.0000 375898.09 50442.66  ?   ?   911.548   68.656 0.000000 68.65632 
1 1 1  -32   12    9 o  215.173   11.683 18918.27  2033.56   0.0000   0.0000 18918.27  2033.56  ?   ?   215.173   11.683 0.000000 11.68319 
1 1 1  -32   12   10 o  353.965   18.498 51507.58  5297.89   0.0000   0.0000 51507.58  5297.89  ?   ?   353.965   18.498 0.000000 18.49761 
1 1 1  -32   12   11 o  318.547   16.452 41673.04  4240.79 42168.13  6171.80 41230.20  5836.97  318.392   24.051  315.143   22.969 3.249146 33.25668 
1 1 1  -32   12   12 o  373.740   15.338 57219.12  4654.55 60798.97  8234.86 55538.51  5642.31  380.922   26.795  366.865   19.007 14.05734 32.85164 
1 1 1  -32   12   13 o  146.912   8.6173  8821.37  1023.44  4721.79  2077.22 10135.58  1176.10  104.390   24.862  157.436   9.2407 -53.04608 26.52413 
1 1 1  -32   12   14 o  201.286   9.9066 16534.02  1619.11 15267.40  3021.17 17044.40  1917.77  191.009   19.766  203.846   11.635 -12.83685 22.93581 
1 1 1  -32   12   15 o  283.368   12.147 32915.66  2794.76 39352.95  5089.56 30136.70  3344.03  306.472   20.572  269.965   15.319 36.50693 25.64889 
1 1 1  -32   12   16 o   72.953   10.875  2230.05  624.523  507.632  1368.54  2683.08  701.865   51.449   20.913   80.117   11.086 -28.66873 23.67004 
1 1 1  -32   12   17 f   78.753   10.242  2593.63  639.444  2681.36  1179.85  2557.15  760.882   77.981   18.844   77.654   12.491 0.3274460 22.60767 
1 1 1  -32   12   18 f  161.378   10.004 10802.40  1304.33 14879.71  2619.73  9458.52  1504.01  185.650   17.589  150.081   12.455 35.56900 21.55181 
1 1 1  -32   12   19 o   31.875   13.378   98.225  584.808  205.853  1950.23   87.591  613.018   54.646   23.712   32.399   13.652 22.24644 27.36106 
1 1 1  -32   12   20 o  120.437   10.699  6129.15  1035.36  7589.77  2645.98  5865.07  1125.07  122.404   27.316  117.215   11.990 5.189590 29.83123 
1 1 1  -32   12   21 o   43.650   16.450  701.658  794.245  888.232  2357.72  677.775  843.550   60.169   26.090   43.894   16.854 16.27520 31.06031 
1 1 1  -32   12   22 o   88.919   13.716  3560.09  958.428  2980.99  2406.20  3669.29  1044.90   72.373   28.277   89.543   14.895 -17.17004 31.96040 
1 1 1  -32   12   23 o  102.056   17.049  5088.85  1362.91  4654.25  3268.04  5180.35  1499.54   75.875   31.719  101.000   18.982 -25.12440 36.96515 
1 1 1  -32   12   24 o   48.258   18.933  1195.21  1082.11   0.0000   0.0000  1195.21  1082.11  ?   ?    48.258   18.933 0.000000 18.93280 
1 1 1  -32   12   25 o   43.470   18.187  1034.57  1075.71   0.0000   0.0000  1034.57  1075.71  ?   ?    43.470   18.187 0.000000 18.18737 
1 1 1  -32   14    1 f  581.949   29.037 139229.50 13720.58   0.0000   0.0000 139229.50 13720.58  ?   ?   581.949   29.037 0.000000 29.03682 
1 1 1  -32   14    2 o  280.429   12.222 32000.80  2782.93 33989.95  4934.81 31073.20  3369.91  287.568   21.286  275.758   15.108 11.80984 26.10237 
1 1 1  -32   14    3 o  494.401   24.511 100224.40  9839.73 102383.40 14119.25 98185.76 13720.27  495.909   35.295  485.678   35.027 10.23038 49.72552 
1 1 1  -32   14    4 o  509.462   26.641 107008.90 10982.30 93186.11 15702.70 120244.30 15365.42  470.127   41.564  537.056   35.435 -66.92844 54.61888 
1 1 1  -32   14    5 o  411.267   21.830 69513.34  7263.65 60082.30 10427.29 78403.98 10124.14  378.827   34.270  434.940   28.831 -56.11301 44.78496 
1 1 1  -32   14    6 o  533.454   38.827 119920.80 16702.59 119920.80 16702.59   0.0000   0.0000  533.454   38.827  ?   ?  0.000000 38.82747 
1 1 1  -32   14    8 o  276.990   22.043 31734.23  4916.61 31734.23  4916.61   0.0000   0.0000  276.990   22.043  ?   ?  0.000000 22.04310 
1 1 1  -32   14    9 o  243.618   16.457 24391.90  3236.32 10596.39  4804.65 35849.62  4378.66  155.322   38.331  295.168   18.361 -139.8460 42.50151 
1 1 1  -32   14   10 o  510.982   24.857 108140.30 10313.14 112228.00 14807.02 104289.00 14372.65  514.111   35.692  495.338   35.981 18.77222 50.68085 
1 1 1  -32   14   11 o  301.465   21.901 37741.52  5324.30   0.0000   0.0000 37741.52  5324.30  ?   ?   301.465   21.901 0.000000 21.90100 
1 1 1  -32   14   12 o  258.122   19.249 27624.40  4005.30   0.0000   0.0000 27624.40  4005.30  ?   ?   258.122   19.249 0.000000 19.24893 
1 1 1  -32   14   13 o  464.772   34.024 93181.20 12750.78   0.0000   0.0000 93181.20 12750.78  ?   ?   464.772   34.024 0.000000 34.02417 
1 1 1  -32   14   14 o  228.674   17.947 21769.42  3305.50   0.0000   0.0000 21769.42  3305.50  ?   ?   228.674   17.947 0.000000 17.94667 
1 1 1  -32   14   15 o  207.896   16.965 18061.41  2838.84   0.0000   0.0000 18061.41  2838.84  ?   ?   207.896   16.965 0.000000 16.96522 
1 1 1  -32   14   16 o  166.410   15.679 11652.55  2093.57   0.0000   0.0000 11652.55  2093.57  ?   ?   166.410   15.679 0.000000 15.67907 
1 1 1  -32   14   17 o   87.540   11.848  3234.14  820.517   0.0000   0.0000  3234.14  820.517  ?   ?    87.540   11.848 0.000000 11.84802 
1 1 1  -32   14   18 o  169.651   11.831 12073.89  1619.47   0.0000   0.0000 12073.89  1619.47  ?   ?   169.651   11.831 0.000000 11.83056 
1 1 1  -32   14   19 o  146.038   11.725  9018.86  1378.61   0.0000   0.0000  9018.86  1378.61  ?   ?   146.038   11.725 0.000000 11.72501 
1 1 1  -32   14   20 o   38.300   15.423  367.435  736.715   0.0000   0.0000  367.435  736.715  ?   ?    38.300   15.423 0.000000 15.42315 
1 1 1  -32   14   21 o   50.278   16.785  1130.81  804.093   0.0000   0.0000  1130.81  804.093  ?   ?    50.278   16.785 0.000000 16.78510 
1 1 1  -32   14   22 o   48.112   16.169  1064.07  746.196   0.0000   0.0000  1064.07  746.196  ?   ?    48.112   16.169 0.000000 16.16899 
1 1 1  -32   14   23 o   81.124   19.320  3503.21  1254.35   0.0000   0.0000  3503.21  1254.35  ?   ?    81.124   19.320 0.000000 19.31967 
1 1 1  -32   14   24 o   65.931   19.967  2640.59  1160.92   0.0000   0.0000  2640.59  1160.92  ?   ?    65.931   19.967 0.000000 19.96716 
1 1 1  -32   16    1 o  690.450   34.223 198015.50 19185.96   0.0000   0.0000 198015.50 19185.96  ?   ?   690.450   34.223 0.000000 34.22262 
1 1 1  -32   16    2 o  649.807   26.854 173927.91 14168.97 157062.50 24724.46 182175.30 17289.72  604.579   50.838  662.987   32.118 -58.40778 60.13332 
1 1 1  -32   16    3 o  603.000   25.111 149569.41 12294.54 135682.80 21398.29 156412.70 15021.47  563.401   47.211  614.896   30.087 -51.49567 55.98310 
1 1 1  -32   16    4 o  462.573   23.953 88189.16  8965.80 84437.96 12903.90 91690.36 12466.53  448.511   35.730  468.601   32.975 -20.08987 48.62028 
1 1 1  -32   16    5 f  512.844   27.180 108897.40 11277.85 93592.98 16149.01 123467.50 15756.79  468.504   42.929  542.285   35.990 -73.78036 56.01911 
1 1 1  -32   16    6 o  415.399   30.085 71980.98 10078.62   0.0000   0.0000 71980.98 10078.62  ?   ?   415.399   30.085 0.000000 30.08487 
1 1 1  -32   16    7 o  219.597   13.336 19743.17  2366.60 18612.44  3572.30 20627.60  3159.36  211.845   21.046  223.813   17.525 -11.96803 27.38761 
1 1 1  -32   16    8 o  209.710   12.781 18006.74  2165.88 18042.25  3263.96 17978.81  2895.13  208.759   19.481  208.828   17.228 -0.6901550E-01 26.00593 
1 1 1  -32   16    9 o  427.023   21.554 75351.07  7449.31 79319.20 10712.60 71635.72 10365.78  434.368   30.569  412.408   31.186 21.96042 43.66924 
1 1 1  -32   16   10 o  122.275   9.3555  6125.08  921.792  5748.81  1703.75  6280.81  1096.07  116.861   18.577  123.615   11.036 -6.754265 21.60818 
1 1 1  -32   16   11 o  110.325   7.5965  4976.92  676.348  6191.06  1572.76  4701.43  749.158  121.755   16.320  107.091   8.6905 14.66393 18.48926 
1 1 1  -32   16   12 o   16.325   7.7012 -302.9953  266.049 -299.2172  1041.25 -303.2592  275.184   38.561   17.013   16.721   7.8709 21.83932 18.74510 
1 1 1  -32   16   13 o  339.883   14.281 47459.92  3941.14 47445.34  7145.09 47466.29  4724.92  334.096   26.558  338.577   17.244 -4.480225 31.66522 
1 1 1  -32   16   14 o  150.112   8.8794  9234.21  1077.45 10216.70  2264.67  8946.76  1224.98  155.710   18.259  147.511   10.292 8.199127 20.95966 
1 1 1  -32   16   15 o  114.770   8.9395  5424.47  826.498  6418.19  2016.95  5223.94  906.062  121.349   21.244  112.408   10.033 8.941338 23.49402 
1 1 1  -32   16   16 o  114.358   9.1305  5406.67  840.748  3407.00  2064.07  5804.43  920.578   86.515   26.706  118.392   9.6606 -31.87708 28.39947 
1 1 1  -32   16   17 o  150.369   12.175  9492.26  1473.77 11730.51  2602.08  8435.15  1788.24  162.952   20.092  140.020   16.017 22.93263 25.69491 
1 1 1  -32   16   18 o   50.263   16.644  1062.43  791.208  653.937  1801.91  1160.00  880.645   56.161   23.522   52.476   17.566 3.685463 29.35690 
1 1 1  -32   16   19 o  117.495   14.550  6027.08  1358.43  2359.74  2554.33  7473.33  1604.07   73.370   28.991  130.435   15.446 -57.06522 32.84914 
1 1 1  -32   16   20 o   65.462   18.657  2029.71  1039.89  732.758  1955.48  2541.09  1227.91   56.020   24.021   72.478   20.141 -16.45759 31.34748 
1 1 1  -32   16   21 o   62.069   19.676  1899.75  1112.72  254.128  2138.44  2510.73  1303.01   52.849   23.775   70.124   21.135 -17.27439 31.81119 
1 1 1  -32   16   22 o   43.384   17.803  630.702  1003.67  3006.25  2210.81   13.994  1126.44   68.879   27.049   39.095   17.445 29.78419 32.18703 
1 1 1  -32   16   23 o   52.786   19.279  1530.78  1075.69   0.0000   0.0000  1530.78  1075.69  ?   ?    52.786   19.279 0.000000 19.27912 
1 1 1  -32   16   24 o   27.123   13.027 -714.5743  834.109   0.0000   0.0000 -714.5743  834.109  ?   ?    27.123   13.027 0.000000 13.02723 
1 1 1  -32   18    1 o  226.927   14.652 21094.75  2685.32   0.0000   0.0000 21094.75  2685.32  ?   ?   226.927   14.652 0.000000 14.65205 
1 1 1  -32   18    2 o  381.060   16.703 59335.09  5167.90 61247.34  9198.85 58453.22  6246.90  383.380   29.784  377.066   20.481 6.314056 36.14639 
1 1 1  -32   18    3 o  520.180   21.817 111117.70  9214.91 108074.10 16129.51 112592.40 11227.62  505.065   39.650  521.538   26.602 -16.47296 47.74676 
1 1 1  -32   18    4 o  207.732   14.100 17687.49  2364.22 12607.63  3601.01 21536.09  3134.37  172.804   26.511  228.867   16.988 -56.06303 31.48674 
1 1 1  -32   18    5 o  323.016   24.403 43270.18  6353.13   0.0000   0.0000 43270.18  6353.13  ?   ?   323.016   24.403 0.000000 24.40294 
1 1 1  -32   18    6 o  387.936   20.747 62027.79  6511.31 58741.58  9458.63 64987.85  8977.01  373.865   31.451  394.647   28.200 -20.78143 42.24215 
1 1 1  -32   18    7 f  419.646   21.294 72692.23  7231.94 77416.52 10478.99 68395.70  9993.32  429.575   30.236  403.432   30.738 26.14340 43.11671 
1 1 1  -32   18    8 o  312.555   16.976 40170.91  4291.98 41150.58  6317.21 39330.99  5849.31  314.068   24.979  307.446   23.612 6.622009 34.37207 
1 1 1  -32   18    9 o  289.898   15.837 34548.66  3713.84 37938.45  5530.91 31765.42  5011.71  301.896   22.730  276.161   22.547 25.73538 32.01601 
1 1 1  -32   18   10 o  144.485   11.616  8578.98  1351.27 11434.76  2274.45  7021.11  1679.89  165.924   17.129  129.778   16.302 36.14639 23.64593 
1 1 1  -32   18   11 o  234.104   11.322 22391.00  2152.18 19830.62  4211.21 23296.13  2503.86  216.610   24.367  238.206   12.995 -21.59589 27.61505 
1 1 1  -32   18   12 o  203.754   9.7749 16949.67  1617.17 19408.69  3313.26 16180.65  1852.87  215.541   19.130  198.531   11.544 17.00932 22.34362 
1 1 1  -32   18   13 o  385.594   14.907 61367.94  4667.21 68735.74  8541.07 58231.32  5572.81  400.392   26.420  374.035   18.349 26.35709 32.16727 
1 1 1  -32   18   14 o  252.341   11.855 26223.81  2429.03 24690.91  4656.78 26796.77  2847.01  238.433   24.397  254.071   13.853 -15.63809 28.05583 
1 1 1  -32   18   15 o  144.260   9.2137  8582.00  1073.61  7530.47  2359.57  8856.53  1205.64  129.854   23.232  146.302   10.213 -16.44772 25.37774 
1 1 1  -32   18   16 o  170.442   9.8137 12034.54  1352.41 12482.76  2963.90 11916.67  1519.86  166.921   22.436  169.122   11.130 -2.200638 25.04535 
1 1 1  -32   18   17 o   47.890   14.039  992.355  581.228 -1761.3790  1838.84  1298.02  612.637   42.400   20.075   54.374   13.841 -11.97455 24.38416 
1 1 1  -32   18   18 o  154.492   10.443 10022.15  1302.35  9011.04  3061.18 10245.61  1439.08  132.609   29.218  155.689   11.465 -23.08060 31.38708 
1 1 1  -32   18   19 o   82.892   11.973  2976.76  782.473  2686.33  2417.63  3010.74  826.985   74.134   28.516   83.076   12.660 -8.941856 31.20039 
1 1 1  -32   18   20 o  105.659   11.995  4864.25  1010.86  6461.67  2531.05  4561.09  1102.61  106.372   28.660  101.213   13.775 5.159042 31.79795 
1 1 1  -32   18   21 o   48.489   19.184  941.123  1119.81  4573.44  2781.10  238.270  1223.37   81.177   30.736   42.676   18.645 38.50051 35.94935 
1 1 1  -32   18   22 o   43.620   17.793  735.779  994.908  2321.98  3100.20  553.664  1050.47   60.996   27.904   42.184   17.828 18.81170 33.11314 
1 1 1  -32   18   23 o   58.024   20.696  2141.17  1230.60   0.0000   0.0000  2141.17  1230.60  ?   ?    58.024   20.696 0.000000 20.69573 
1 1 1  -32   20    1 o  228.267   15.076 21374.62  2778.56   0.0000   0.0000 21374.62  2778.56  ?   ?   228.267   15.076 0.000000 15.07619 
1 1 1  -32   20    2 f  251.590   15.647 25968.95  3180.64   0.0000   0.0000 25968.95  3180.64  ?   ?   251.590   15.647 0.000000 15.64732 
1 1 1  -32   20    3 o  156.068   13.159 10007.24  1651.96   0.0000   0.0000 10007.24  1651.96  ?   ?   156.068   13.159 0.000000 13.15882 
1 1 1  -32   20    4 o  245.960   15.842 24845.75  3147.02   0.0000   0.0000 24845.75  3147.02  ?   ?   245.960   15.842 0.000000 15.84211 
1 1 1  -32   20    5 o  457.684   24.818 86952.73  9188.34 79130.45 13339.18 94015.23 12674.81  429.888   38.628  471.899   33.293 -42.01108 50.99498 
1 1 1  -32   20    6 o  160.885   12.500 10627.47  1620.15 10969.49  2644.26 10421.90  2050.01  161.966   20.571  158.718   16.131 3.248779 26.14134 
1 1 1  -32   20    7 o  412.059   22.785 70468.11  7593.85 61855.70 11053.13 78167.49 10450.83  379.645   36.299  430.645   30.077 -51.00076 47.14044 
1 1 1  -32   20    8 o  321.579   17.419 42625.61  4531.33 46478.15  6752.14 39468.84  6112.09  333.190   25.143  307.056   24.725 26.13379 35.26320 
1 1 1  -32   20    9 o  120.961   21.936  6246.11  2075.16  6246.11  2075.16   0.0000   0.0000  120.961   21.936  ?   ?  0.000000 21.93633 
1 1 1  -32   20   10 o  121.420   12.481  6095.81  1212.93  4366.06  2125.82  6930.75  1476.94  100.113   25.941  129.205   14.319 -29.09209 29.63027 
1 1 1  -32   20   11 o  365.339   15.450 54991.56  4583.23 59266.30  8573.97 53281.41  5423.06  371.793   28.622  357.933   18.725 13.85983 34.20248 
1 1 1  -32   20   12 o  239.761   11.841 23596.43  2305.14 22088.29  4722.15 24068.24  2641.21  225.935   26.229  241.381   13.531 -15.44606 29.51295 
1 1 1  -32   20   13 o   68.536   9.3092  1958.71  504.641  3058.51  1888.55  1874.14  523.683   83.427   25.511   66.889   9.9448 16.53841 27.38066 
1 1 1  -32   20   14 o  148.698   9.2247  9116.60  1108.28 11462.65  2748.44  8661.06  1211.11  161.804   21.448  144.624   10.383 17.18005 23.82930 
1 1 1  -32   20   15 o   19.043   9.0446 -464.4700  378.996 -3741.3831  1669.56 -286.4347  389.156   32.998   16.370   21.280   9.7906 11.71726 19.07443 
1 1 1  -32   20   16 o  103.448   9.7855  4470.90  812.183  4855.14  2467.82  4424.23  860.097   99.008   28.900  102.697   10.461 -3.688934 30.73521 
1 1 1  -32   20   17 o   19.753   9.5594 -743.8394  469.997 -1573.0100  2042.30 -697.4708  482.959   45.629   21.467   20.508   9.8660 25.12067 23.62586 
1 1 1  -32   20   18 o   27.325   12.288 -225.5471  570.640  2627.18  2273.38 -417.3722  589.513   73.874   27.832   25.930   11.973 47.94379 30.29840 
1 1 1  -32   20   19 o  111.370   11.104  5330.86  990.776 10512.22  3081.65  4733.53  1046.33  139.084   28.252  104.047   12.645 35.03720 30.95246 
1 1 1  -32   20   20 o  180.269   11.761 14185.29  1712.06 14876.63  4379.16 14060.55  1860.11  144.145   37.174  178.170   12.946 -34.02490 39.36390 
1 1 1  -32   20   21 o   56.611   20.685  1688.45  1238.51 -3025.9399  3234.36  2498.49  1340.69   46.736   23.114   66.665   21.647 -19.92898 31.66768 
1 1 1  -32   20   22 o   56.511   20.361  1896.46  1193.98  2947.01  3671.35  1772.21  1262.61   58.779   27.985   54.690   20.709 4.088974 34.81398 
1 1 1  -32   20   23 o   49.163   20.947  1674.75  1470.11   0.0000   0.0000  1674.75  1470.11  ?   ?    49.163   20.947 0.000000 20.94711 
1 1 1  -32   22    1 o  207.816   14.989 17750.95  2512.18   0.0000   0.0000 17750.95  2512.18  ?   ?   207.816   14.989 0.000000 14.98851 
1 1 1  -32   22    2 o  262.512   16.788 28351.56  3559.58   0.0000   0.0000 28351.56  3559.58  ?   ?   262.512   16.788 0.000000 16.78770 
1 1 1  -32   22    3 o  371.918   17.065 56721.57  5153.26 61401.52  9291.57 54642.51  6193.04  381.845   30.215  363.510   21.073 18.33478 36.83766 
1 1 1  -32   22    4 o  180.215   12.577 13324.31  1828.78 11394.70  3439.27 14084.96  2159.35  163.440   26.849  185.005   14.491 -21.56480 30.50938 
1 1 1  -32   22    5 o  223.764   13.346 20538.16  2413.82 19212.80  4390.37 21112.36  2889.77  213.378   25.869  226.419   15.818 -13.04080 30.32197 
1 1 1  -32   22    6 o  330.094   18.995 45036.80  5069.58 44323.29  7645.17 45596.77  6772.77  323.496   29.428  329.831   25.487 -6.335419 38.93039 
1 1 1  -32   22    7 o  305.002   18.206 38459.03  4488.12 36094.22  6805.51 40279.11  5970.46  291.376   29.157  310.184   23.889 -18.80728 37.69367 
1 1 1  -32   22    8 o  234.206   24.207 23142.78  4536.90 23142.78  4536.90   0.0000   0.0000  234.206   24.207  ?   ?  0.000000 24.20665 
1 1 1  -32   22    9 o  257.002   15.595 27287.79  3238.88 30664.79  5095.54 24998.44  4195.47  269.629   23.510  244.075   21.386 25.55336 31.78154 
1 1 1  -32   22   10 o  197.285   13.480 16073.44  2146.42 20985.16  3547.06 13235.77  2696.08  223.530   19.746  177.397   19.014 46.13281 27.41237 
1 1 1  -32   22   11 o   83.738   14.987  2986.24  981.597  2384.46  2011.99  3174.22  1124.51   76.912   26.537   85.982   16.709 -9.069801 31.35968 
1 1 1  -32   22   12 o   20.567   9.0653 -85.1237  294.953 -1774.0730  1677.30 -31.2296  299.622   40.756   19.260   21.661   9.3465 19.09568 21.40784 
1 1 1  -32   22   13 o   70.300   9.5018  2068.02  528.475 -197.4236  2329.47  2190.95  542.624   58.020   25.528   72.404   9.4557 -14.38482 27.22334 
1 1 1  -32   22   14 o   73.222   9.5276  2246.84  553.031  2430.76  2445.63  2236.93  567.737   77.145   28.906   72.984   9.8304 4.161316 30.53186 
1 1 1  -32   22   15 o   91.623   9.5898  3510.72  702.859  4905.99  2697.36  3409.09  728.009   98.818   30.533   90.122   10.124 8.696037 32.16791 
1 1 1  -32   22   16 o   76.275   10.991  2480.58  661.028 -3952.0259  2760.55  2871.85  680.835   46.179   22.533   82.359   10.414 -36.17969 24.82327 
1 1 1  -32   22   17 o   92.237   11.265  3638.13  826.118  575.328  3024.41  3885.07  858.776   64.527   28.705   95.333   11.315 -30.80538 30.85442 
1 1 1  -32   22   18 o   61.709   14.185  1724.65  695.885 -1348.5050  3083.43  1889.57  714.315   55.240   26.107   64.725   13.999 -9.484715 29.62353 
1 1 1  -32   22   19 o   83.639   13.254  3139.58  870.118  4652.49  3537.36  3042.15  897.700   81.637   33.453   81.868   14.008 -0.2307129 36.26742 
1 1 1  -32   22   20 o   56.010   19.760  1599.04  1118.91  753.981  3700.69  1684.06  1173.85   59.621   28.302   57.119   20.230 2.501808 34.78842 
1 1 1  -32   22   21 o   69.084   21.529  2866.93  1337.80  3887.32  4258.15  2755.18  1409.15   62.936   30.012   66.747   22.218 -3.811096 37.34060 
1 1 1  -32   22   22 o   50.666   21.427  1705.00  1519.00   0.0000   0.0000  1705.00  1519.00  ?   ?    50.666   21.427 0.000000 21.42743 
1 1 1  -32   24    1 o  266.705   17.508 29351.91  3770.49   0.0000   0.0000 29351.91  3770.49  ?   ?   266.705   17.508 0.000000 17.50840 
1 1 1  -32   24    2 o   92.122   16.405  3584.64  1182.14   0.0000   0.0000  3584.64  1182.14  ?   ?    92.122   16.405 0.000000 16.40529 
1 1 1  -32   24    3 o  168.745   13.183 11714.92  1791.97 13988.61  3721.81 11028.77  2044.55  181.354   26.020  163.254   15.614 18.10001 30.34591 
1 1 1  -32   24    4 o   53.766   16.481  1189.62  787.690  1118.61  1892.74  1204.49  866.270   64.526   25.116   54.594   17.367 9.931957 30.53560 
1 1 1  -32   24    5 o  102.761   14.029  4405.46  1139.94  9209.46  2571.48  3230.49  1271.73  147.358   22.179   86.881   18.589 60.47729 28.93921 
1 1 1  -32   24    6 o  221.299   26.607 20885.53  4685.20 20885.53  4685.20   0.0000   0.0000  221.299   26.607  ?   ?  0.000000 26.60743 
1 1 1  -32   24    7 o  177.831   14.997 13099.83  2145.27 10470.65  3779.58 14349.44  2605.68  153.713   31.345  185.531   17.504 -31.81862 35.90129 
1 1 1  -32   24    8 o  133.081   14.431  7376.47  1534.41  6768.48  2956.13  7600.69  1795.18  123.023   29.889  134.525   16.801 -11.50104 34.28716 
1 1 1  -32   24    9 o  161.370   14.143 10829.88  1834.43 10269.18  3218.79 11099.60  2232.47  152.509   26.980  162.480   17.183 -9.970688 31.98719 
1 1 1  -32   24   10 o   92.660   15.572  3664.34  1130.06  1200.18  2549.35  4266.93  1260.68   70.409   28.572  100.014   16.068 -29.60476 32.78012 
1 1 1  -32   24   11 o  174.047   14.837 12732.18  2076.81 11803.97  3786.56 13131.53  2483.72  159.383   30.368  175.555   17.664 -16.17192 35.13179 
1 1 1  -32   24   12 o   45.736   10.623  897.987  386.947  1970.38  2143.84  861.876  393.408   71.949   27.043   44.784   10.918 27.16523 29.16395 
1 1 1  -32   24   13 o   57.044   9.9493  1382.21  444.067  441.497  2300.05  1418.64  452.582   60.821   26.064   57.795   10.007 3.025169 27.91926 
1 1 1  -32   24   14 o  124.634   9.2731  6459.22  931.707  6059.85  3063.23  6499.94  978.045  108.098   32.367  124.883   9.7219 -16.78553 33.79506 
1 1 1  -32   24   15 o  112.423   9.3440  5282.25  845.225  5936.15  2832.91  5218.35  885.559  105.984   30.972  111.549   9.8793 -5.565224 32.50979 
1 1 1  -32   24   16 o  140.461   10.339  8320.13  1170.88  9193.97  3995.97  8238.06  1224.63  122.198   37.053  139.476   10.900 -17.27788 38.62300 
1 1 1  -32   24   17 o   85.521   11.514  3167.58  779.247  6767.17  3701.14  3000.61  797.115  100.765   35.897   82.888   12.210 17.87734 37.91613 
1 1 1  -32   24   18 o   16.480   8.2662 -1339.6219  479.591  1003.08  3535.82 -1383.5310  484.065   64.314   29.561   16.415   8.2435 47.89963 30.68849 
1 1 1  -32   24   19 o   61.718   20.657  2014.02  1217.85 -628.1085  4222.03  2253.81  1271.92   58.198   28.278   64.754   21.087 -6.555786 35.27478 
1 1 1  -32   24   20 o   65.785   21.191  2539.29  1286.67 -976.1545  3962.05  2953.74  1360.40   52.167   25.759   70.587   21.663 -18.42023 33.65732 
1 1 1  -32   24   21 o   65.572   22.893  3063.92  1499.38   0.0000   0.0000  3063.92  1499.38  ?   ?    65.572   22.893 0.000000 22.89259 
1 1 1  -32   26    1 o  166.553   16.562 11539.29  2210.03   0.0000   0.0000 11539.29  2210.03  ?   ?   166.553   16.562 0.000000 16.56171 
1 1 1  -32   26    2 o  281.977   19.129 33090.20  4353.80   0.0000   0.0000 33090.20  4353.80  ?   ?   281.977   19.129 0.000000 19.12904 
1 1 1  -32   26    3 o  175.740   16.341 12842.00  2305.02   0.0000   0.0000 12842.00  2305.02  ?   ?   175.740   16.341 0.000000 16.34060 
1 1 1  -32   26    4 o  222.454   20.994 20823.87  3747.25 23805.36  5276.02 17788.90  5323.12  234.803   28.240  199.852   34.022 34.95081 44.21564 
1 1 1  -32   26    5 o  285.884   21.932 34489.82  5052.14 36709.47  7090.74 32201.16  7200.12  289.969   30.577  269.469   33.640 20.50021 45.46014 
1 1 1  -32   26    6 o  360.133   18.648 54257.57  5434.29 56130.79  9813.11 53429.02  6526.39  354.006   34.581  354.812   22.774 -0.8061218 41.40660 
1 1 1  -32   26    7 o  165.501   15.316 11452.74  2034.86 13235.26  3802.10 10737.22  2408.89  172.587   28.098  158.950   19.044 13.63730 33.94388 
1 1 1  -32   26    8 o  279.393   18.730 33029.44  4224.46 31674.77  6831.98 33868.00  5375.22  263.153   32.678  279.429   23.922 -16.27588 40.49784 
1 1 1  -32   26    9 o  185.983   15.272 14548.04  2285.92 18086.23  4153.58 13010.76  2737.84  201.332   26.017  173.800   19.752 27.53204 32.66491 
1 1 1  -32   26   10 o  192.288   16.208 15692.99  2507.01 13754.37  4566.52 16529.37  2999.45  167.729   34.676  195.757   19.114 -28.02773 39.59520 
1 1 1  -32   26   11 o   64.180   18.543  1816.30  1020.58 -572.6641  2672.25  2224.26  1104.29   59.295   26.635   70.633   18.888 -11.33775 32.65246 
1 1 1  -32   26   12 o   93.607   8.7033  3640.68  653.925  2590.51  2967.38  3694.28  670.406   80.135   31.377   94.259   8.8635 -14.12391 32.60468 
1 1 1  -32   26   13 o  110.911   8.9786  5119.21  801.647  1551.84  3235.25  5352.56  827.451   73.679   31.222  113.401   9.0621 -39.72200 32.51019 
1 1 1  -32   26   14 o  166.175   10.374 11581.62  1392.80  6992.81  4235.14 12138.11  1474.84  107.489   38.387  169.939   10.744 -62.45010 39.86259 
1 1 1  -32   26   15 o  185.976   11.515 14697.08  1730.29 10479.76  4904.67 15296.57  1849.19  122.610   41.452  189.315   12.093 -66.70480 43.18024 
1 1 1  -32   26   16 o   93.779   10.173  3753.66  762.214  190.505  3679.45  3913.42  779.114   64.560   29.846   95.772   10.175 -31.21236 31.53253 
1 1 1  -32   26   17 o   99.514   11.316  4314.86  898.138 -1939.6730  4055.44  4637.44  921.008   57.650   27.943  103.298   11.158 -45.64806 30.08825 
1 1 1  -32   26   18 o   66.778   22.921  2502.76  1500.06  1293.54  4392.91  2662.38  1596.00   63.429   30.312   68.198   23.629 -4.769188 38.43383 
1 1 1  -32   26   19 o   62.728   23.129  2447.51  1553.47  3902.61  4459.56  2246.56  1657.27   64.327   30.686   60.226   23.485 4.101021 38.64152 
1 1 1  -32   26   20 o   51.401   20.940  1633.49  1375.75  3971.46  5840.54  1496.15  1415.58   55.836   28.119   50.089   20.902 5.747299 35.03685 
1 1 1  -32   28    1 o   76.604   27.715  2224.81  2215.45   0.0000   0.0000  2224.81  2215.45  ?   ?    76.604   27.715 0.000000 27.71495 
1 1 1  -32   28    2 o  239.161   31.117 25571.81  5899.55   0.0000   0.0000 25571.81  5899.55  ?   ?   239.161   31.117 0.000000 31.11709 
1 1 1  -32   28    3 o  258.839   19.216 28299.76  4009.87   0.0000   0.0000 28299.76  4009.87  ?   ?   258.839   19.216 0.000000 19.21648 
1 1 1  -32   28    4 o  256.362   16.386 27518.74  3392.98 28920.54  6973.81 27084.01  3883.62  249.834   35.366  252.982   19.046 -3.147736 40.16848 
1 1 1  -32   28    5 o  319.544   18.138 43099.18  4686.68 47910.00  8948.24 41280.61  5501.64  321.285   34.860  309.947   22.004 11.33835 41.22402 
1 1 1  -32   28    6 o   95.888   17.879  3990.42  1340.80  3892.76  3511.73  4007.09  1450.70   95.387   34.835   95.628   19.348 -0.2414093 39.84702 
1 1 1  -32   28    7 o  138.307   16.307  8145.31  1796.05  7433.59  3927.41  8333.51  2019.61  122.403   36.648  139.089   18.329 -16.68562 40.97650 
1 1 1  -32   28    8 o   91.196   18.508  3663.56  1323.66 -406.1438  3323.94  4430.57  1443.01   67.100   29.953  100.574   18.346 -33.47427 35.12523 
1 1 1  -32   28    9 o   83.475   20.497  3141.87  1379.08  4953.60  3137.57  2708.05  1535.34  100.688   33.135   77.330   22.859 23.35798 40.25532 
1 1 1  -32   28   10 o   42.653   18.023  175.130  1073.18  4242.35  2835.96 -504.6385  1159.40   93.414   31.521   38.400   17.369 55.01417 35.98938 
1 1 1  -32   28   11 o   83.279   19.509  3157.34  1296.10 -1612.1770  3310.58  4020.73  1408.54   60.065   27.954   94.439   19.026 -34.37386 33.81461 
1 1 1  -32   28   12 o   82.771   19.629  3156.69  1299.22  3960.80  3308.29  3010.06  1412.72   88.654   33.534   80.151   21.332 8.503136 39.74360 
1 1 1  -32   28   13 o  119.046   9.7027  5948.40  929.719  2334.72  4264.45  6128.73  952.635   79.794   34.838  120.810   9.7958 -41.01672 36.18872 
1 1 1  -32   28   14 o  238.714   12.822 24511.38  2476.22 23803.47  6620.56 24626.52  2670.01  184.901   44.611  238.149   13.868 -53.24783 46.71684 
1 1 1  -32   28   15 o  142.566   10.454  8665.96  1201.74  5230.84  4835.01  8892.14  1240.67   86.366   37.405  144.283   10.666 -57.91727 38.89637 
1 1 1  -32   28   16 o   57.845   20.097  1629.51  1154.87 -6388.0601  4208.16  2282.55  1200.99   49.425   24.748   66.994   20.313 -17.56851 32.01688 
1 1 1  -32   28   17 o   85.001   23.730  4161.59  1700.33 -1707.1470  4951.99  4945.98  1810.40   57.782   28.581   93.019   23.855 -35.23652 37.22863 
1 1 1  -32   28   18 o   56.623   22.574  1882.92  1561.45  8198.21  5126.41  1237.10  1639.35   73.523   34.405   51.205   21.976 22.31804 40.82410 
1 1 1  -32   28   19 o   46.629   20.055  1113.70  1370.56  4535.75  5576.12  893.676  1413.93   56.506   28.322   45.049   19.853 11.45659 34.58669 
1 1 1  -32   30    1 o   85.517   24.418  3289.86  1779.46   0.0000   0.0000  3289.86  1779.46  ?   ?    85.517   24.418 0.000000 24.41772 
1 1 1  -32   30    2 o  314.032   22.478 42883.87  5693.61   0.0000   0.0000 42883.87  5693.61  ?   ?   314.032   22.478 0.000000 22.47801 
1 1 1  -32   30    3 o  260.415   20.775 29314.81  4356.25   0.0000   0.0000 29314.81  4356.25  ?   ?   260.415   20.775 0.000000 20.77479 
1 1 1  -32   30    4 o  137.597   20.603  8300.80  2231.03   0.0000   0.0000  8300.80  2231.03  ?   ?   137.597   20.603 0.000000 20.60290 
1 1 1  -32   30    5 o  148.092   18.071  9466.41  2127.95  2755.51  4962.90 10978.10  2355.46   92.840   38.968  159.370   18.550 -66.52960 43.15761 
1 1 1  -32   30    6 f  204.874   17.121 17974.69  2821.93 16991.59  6217.89 18229.71  3166.86  175.740   43.746  204.946   19.256 -29.20558 47.79671 
1 1 1  -32   30    7 o   51.593   19.274  935.324  1085.76 -141.2819  4086.83  1017.09  1126.24   73.438   32.967   53.075   19.669 20.36345 38.38839 
1 1 1  -32   30    8 o   33.971   15.454 -490.1471  934.199  3105.51  3522.82 -762.1307  968.887   85.960   34.021   32.694   15.185 53.26594 37.25588 
1 1 1  -32   30    9 o   48.214   19.129  656.091  1116.25 -493.8231  3366.09  798.171  1183.21   64.956   29.467   50.669   19.820 14.28670 35.51270 
1 1 1  -32   30   10 o  144.940   18.867  9392.01  2167.81 14076.95  5263.47  8434.97  2378.95  153.143   41.358  134.721   22.544 18.42188 47.10306 
1 1 1  -32   30   11 o   88.643   21.554  3729.03  1536.35  3082.13  4392.15  3819.22  1639.95   84.219   36.053   89.144   22.620 -4.925545 42.56127 
1 1 1  -32   30   12 o   54.092   20.401  1151.01  1222.26 -7947.2959  4071.72  2052.05  1281.36   49.092   24.546   66.010   21.135 -16.91785 32.39082 
1 1 1  -32   30   13 o   58.246   10.313  1470.36  469.897  1380.73  4237.31  1471.47  472.813   71.906   32.790   58.248   10.377 13.65772 34.39257 
1 1 1  -32   30   14 o  132.242   9.7433  7440.24  1038.84  8447.23  5139.43  7397.34  1060.73   97.462   40.175  131.704   9.9935 -34.24162 41.39911 
1 1 1  -32   30   15 o   80.880   23.189  3590.64  1601.63  1401.33  4870.73  3856.06  1695.94   66.895   31.954   83.219   23.862 -16.32420 39.88111 
1 1 1  -32   30   16 o   40.868   18.471  -8.3015  1308.22  881.927  5290.25 -66.2867  1350.16   61.730   30.342   40.965   18.614 20.76566 35.59682 
1 1 1  -32   30   17 o   71.714   25.009  3580.99  1789.12 -6144.2988  6169.40  4473.98  1869.45   50.428   25.745   80.522   25.501 -30.09423 36.23750 
1 1 1  -32   30   18 o   46.667   20.904  1087.92  1634.00  4407.67  6413.66  857.485  1689.76   54.568   27.703   45.426   20.711 9.142021 34.58952 
1 1 1  -32   32    1 o   62.756   24.015  1379.75  1709.15   0.0000   0.0000  1379.75  1709.15  ?   ?    62.756   24.015 0.000000 24.01529 
1 1 1  -32   32    2 o   60.645   23.788  1170.25  1707.93   0.0000   0.0000  1170.25  1707.93  ?   ?    60.645   23.788 0.000000 23.78783 
1 1 1  -32   32    3 o   76.678   24.098  2669.33  1672.16   0.0000   0.0000  2669.33  1672.16  ?   ?    76.678   24.098 0.000000 24.09801 
1 1 1  -32   32    4 o  123.316   23.748  7005.79  2291.63   0.0000   0.0000  7005.79  2291.63  ?   ?   123.316   23.748 0.000000 23.74839 
1 1 1  -32   32    5 o   98.206   22.763  4471.13  1779.67  8111.77  5344.36  4017.08  1887.39  117.825   42.982   92.208   24.709 25.61732 49.57774 
1 1 1  -32   32    6 o  126.174   20.499  7183.72  2028.05 12688.51  5616.54  6358.39  2174.77  144.131   43.979  116.599   23.777 27.53168 49.99477 
1 1 1  -32   32    7 o   54.058   21.447  898.701  1403.18  4699.35  4331.84  453.167  1483.15   95.407   37.737   50.815   21.314 44.59195 43.33996 
1 1 1  -32   32    8 o  156.788   19.759 11108.75  2459.63 14799.35  6610.78 10515.76  2649.88  143.385   48.127  150.438   22.375 -7.052231 53.07357 
1 1 1  -32   32    9 o  176.671   19.958 14244.71  2812.80 12824.36  7014.02 14516.90  3070.52  125.508   48.489  176.455   21.902 -50.94682 53.20636 
1 1 1  -32   32   10 f   96.946   23.622  4650.95  1842.36 12954.60  5255.22  3487.39  1967.21  136.000   42.717   82.511   26.163 53.48933 50.09244 
1 1 1  -32   32   11 o  123.273   22.336  7426.39  2153.38 12341.38  6228.54  6759.16  2294.89  117.434   45.603  114.673   25.323 2.761024 52.16234 
1 1 1  -32   32   12 o  159.638   21.258 12459.68  2686.92 19033.24  7157.29 11381.26  2898.95  132.656   49.500  147.959   25.022 -15.30302 55.46528 
1 1 1  -32   32   13 o   64.398   23.285  2161.36  1563.56  3902.61  5966.85  2032.98  1620.17   75.918   36.008   63.019   23.544 12.89917 43.02254 
1 1 1  -32   32   14 o   48.645   20.760  753.198  1448.24  7613.51  6038.62  334.524  1491.78   78.981   37.080   45.810   20.279 33.17136 42.26316 
1 1 1  -32   32   15 o   53.628   22.020  1478.14  1536.56 -3072.4790  6293.65  1766.58  1584.51   55.816   28.239   56.330   22.642 -0.5137634 36.19492 
1 1 1  -32   32   16 o   38.194   17.905 -299.9373  1399.32 -1239.6720  6415.73 -253.0003  1433.84   53.188   27.072   38.796   18.168 14.39185 32.60316 
1 1 1  -32   34    1 o  175.050   24.835 14353.05  3430.93   0.0000   0.0000 14353.05  3430.93  ?   ?   175.050   24.835 0.000000 24.83487 
1 1 1  -32   34    2 o  110.940   26.736  6018.61  2380.06   0.0000   0.0000  6018.61  2380.06  ?   ?   110.940   26.736 0.000000 26.73625 
1 1 1  -32   34    3 o   94.576   27.316  4441.84  2215.09   0.0000   0.0000  4441.84  2215.09  ?   ?    94.576   27.316 0.000000 27.31576 
1 1 1  -32   34    4 o  111.650   27.714  6246.43  2500.72   0.0000   0.0000  6246.43  2500.72  ?   ?   111.650   27.714 0.000000 27.71415 
1 1 1  -32   34    5 o  188.207   23.427 16654.30  3502.52   0.0000   0.0000 16654.30  3502.52  ?   ?   188.207   23.427 0.000000 23.42650 
1 1 1  -32   34    6 f  165.770   22.939 12991.23  3004.86 12500.01  8456.50 13062.21  3214.65  117.482   50.152  164.285   24.877 -46.80341 55.98314 
1 1 1  -32   34    7 o   43.584   19.326 -137.7190  1360.34 -13421.4404  6841.72  409.047  1388.05   59.476   30.013   48.360   20.469 11.11567 36.32831 
1 1 1  -32   34    8 o  127.586   25.231  8212.01  2521.21  5274.80  7992.74  8536.56  2656.85   90.971   42.693  129.113   26.238 -38.14165 50.11127 
1 1 1  -32   34    9 o  123.579   25.465  7903.19  2470.21 11511.46  8012.52  7524.23  2596.69  102.652   46.115  118.147   27.571 -15.49499 53.72856 
1 1 1  -32   34   10 o  257.724   24.237 34115.34  5012.27 38218.14 11687.35 33190.67  5548.42  141.455   59.608  245.129   28.403 -103.6742 66.02915 
1 1 1  -32   34   11 o  126.675   26.145  8913.45  2599.97 13150.17  8438.80  8469.11  2732.91   92.169   43.446  120.032   28.471 -27.86284 51.94417 
1 1 1  -32   34   12 o   36.372   17.344 -1144.5410  1421.98  4149.66  7309.43 -1352.7860  1449.67   71.467   35.232   35.803   17.190 35.66458 39.20221 
1 1 1  -32   34   13 o   46.602   20.744  493.041  1581.96 -933.8445  7937.23  552.068  1614.35   61.105   31.001   47.248   20.997 13.85646 37.44252 
1 1 1  -32   34   14 o   76.682   26.874  4442.35  2067.15 -1245.6990 10156.97  4688.13  2111.33   57.316   29.481   78.501   27.179 -21.18409 40.09750 
1 1 1  -32   36    1 o  172.443   29.950 15590.39  4041.46   0.0000   0.0000 15590.39  4041.46  ?   ?   172.443   29.950 0.000000 29.95040 
1 1 1  -32   36    2 o   52.650   23.888 -371.0495  2213.34   0.0000   0.0000 -371.0495  2213.34  ?   ?    52.650   23.888 0.000000 23.88846 
1 1 1  -32   36    3 o   77.914   29.330  3095.10  2523.61   0.0000   0.0000  3095.10  2523.61  ?   ?    77.914   29.330 0.000000 29.33006 
1 1 1  -32   36    4 o   83.056   29.815  3763.96  2558.01   0.0000   0.0000  3763.96  2558.01  ?   ?    83.056   29.815 0.000000 29.81540 
1 1 1  -32   36    5 o  171.539   29.054 15803.06  3902.24   0.0000   0.0000 15803.06  3902.24  ?   ?   171.539   29.054 0.000000 29.05361 
1 1 1  -32   36    6 o  152.868   28.781 12764.28  3441.26   0.0000   0.0000 12764.28  3441.26  ?   ?   152.868   28.781 0.000000 28.78051 
1 1 1  -32   36    7 o   61.365   25.708  1484.69  2153.35  3006.56 10096.98  1412.17  2204.05   80.512   39.995   61.121   25.828 19.39111 47.60996 
1 1 1  -32   36    8 o   77.190   28.368  3571.14  2334.16  2790.29  9189.53  3625.00  2413.31   76.424   37.997   77.391   28.770 -0.9667664 47.65977 
1 1 1  -32   36    9 o   75.607   27.294  3516.36  2146.87  562.512  9414.68  3678.39  2204.96   70.548   35.550   76.835   27.671 -6.286667 45.04954 
1 1 1  -32   36   10 o   64.246   26.000  2442.28  2104.88  6805.34 10102.02  2244.26  2152.11   71.792   36.256   62.716   25.938 9.075745 44.57917 
1 1 1  -32   36   11 o   76.140   28.417  4341.17  2359.09  8880.56 10853.06  4116.06  2416.88   67.646   34.502   73.735   28.470 -6.089142 44.73190 
1 1 1  -32   36   12 o   86.543   29.901  6308.96  2554.78  7269.52 11442.21  6258.57  2620.94   61.149   31.444   84.895   30.211 -23.74578 43.60571 
1 1 1  -32   38    1 o  122.035   35.033  9960.24  3653.55   0.0000   0.0000  9960.24  3653.55  ?   ?   122.035   35.033 0.000000 35.03339 
1 1 1  -32   38    2 o   92.770   34.631  6173.70  3503.93   0.0000   0.0000  6173.70  3503.93  ?   ?    92.770   34.631 0.000000 34.63113 
1 1 1  -32   38    3 o  160.224   34.389 16519.49  4340.09   0.0000   0.0000 16519.49  4340.09  ?   ?   160.224   34.389 0.000000 34.38920 
1 1 1  -32   38    4 o  101.416   33.622  7274.00  3228.30   0.0000   0.0000  7274.00  3228.30  ?   ?   101.416   33.622 0.000000 33.62227 
1 1 1  -32   38    5 o   36.115   17.734 -2596.6421  1793.28   0.0000   0.0000 -2596.6421  1793.28  ?   ?    36.115   17.734 0.000000 17.73409 
1 1 1  -32   38    6 o   50.314   23.224   0.5767  2215.01   0.0000   0.0000   0.5767  2215.01  ?   ?    50.314   23.224 0.000000 23.22377 
1 1 1  -32   38    7 o   55.109   24.580  1086.69  2233.42   0.0000   0.0000  1086.69  2233.42  ?   ?    55.109   24.580 0.000000 24.58022 
1 1 1  -32   38    8 o  130.620   34.704 13549.55  3743.20 16223.32 14512.10 13358.98  3874.30   69.684   35.812  125.446   36.095 -55.76152 50.84588 
1 1 1  -32   38    9 o   96.898   32.823  8389.80  3075.22 11582.24 13612.88  8218.11  3156.83   64.031   32.993   93.821   33.181 -29.78944 46.79217 
1 1 1  -32   40    1 o   75.084   33.726  5758.39  4284.11   0.0000   0.0000  5758.39  4284.11  ?   ?    75.084   33.726 0.000000 33.72589 
1 1 1  -32   40    2 o   59.224   27.459  1590.93  3148.04   0.0000   0.0000  1590.93  3148.04  ?   ?    59.224   27.459 0.000000 27.45906 
1 1 1  -32   40    3 o   52.121   24.714  140.142  2806.99   0.0000   0.0000  140.142  2806.99  ?   ?    52.121   24.714 0.000000 24.71428 
1 1 1  -32   40    4 o   71.161   31.230  4869.48  3466.28   0.0000   0.0000  4869.48  3466.28  ?   ?    71.161   31.230 0.000000 31.22951 
1 1 1  -31    1    4 o  232.451   12.023 22015.65  2261.56 24265.73  3222.19 19831.04  3174.98  243.723   16.377  220.062   17.925 23.66136 24.27984 
1 1 1  -31    1    5 o  241.647   10.038 23721.88  1969.64 27258.10  3460.54 22027.35  2395.51  258.361   16.584  232.463   12.740 25.89774 20.91214 
1 1 1  -31    1    6 o  998.108   47.933 410543.81 38846.04 413798.09 54951.77 407293.19 54921.43  992.217   68.630  984.088   69.173 8.128479 97.44235 
1 1 1  -31    1    7 o  724.968   28.495 214637.30 16773.74 213932.91 20551.35 216042.80 29030.95  722.695   35.023  721.356   49.871 1.338867 60.94005 
1 1 1  -31    1    8 o  159.534   7.6786 10338.15  994.658 12134.09  1674.97  9359.83  1236.24  172.350   12.045  151.431   10.112 20.91910 15.72687 
1 1 1  -31    1    9 o  476.142   15.670 92326.20  6058.12 91740.84  8566.12 92911.92  8568.84  473.885   22.262  476.918   22.128 -3.032928 31.38888 
1 1 1  -31    1   10 o  577.297   19.322 136210.00  9057.00 135313.50 12806.21 137107.20 12810.84  573.437   27.504  577.274   27.331 -3.836792 38.77451 
1 1 1  -31    1   11 o  675.456   26.820 188364.80 14709.27 180864.91 25516.48 192097.50 18001.26  647.954   48.859  679.402   32.632 -31.44855 58.75394 
1 1 1  -31    1   12 o  276.768   10.257 31187.84  2305.07 32012.12  3255.49 30359.11  3264.26  279.652   14.386  272.246   14.823 7.405365 20.65574 
1 1 1  -31    1   13 o   29.399   9.1014  349.921  239.533  458.385  321.955  215.449  358.484   33.736   10.569   28.497   10.976 5.238449 15.23730 
1 1 1  -31    1   14 o  162.286   7.0608 10712.31  930.411 11250.74  1307.01 10159.15  1324.77  165.892   9.7460  157.528   10.416 8.363556 14.26460 
1 1 1  -31    1   15 o  147.724   6.8663  8878.19  823.589  8388.14  1162.46  9372.09  1167.01  143.066   10.071  151.332   9.5464 -8.265366 13.87673 
1 1 1  -31    1   16 o  202.282   8.2342 16672.98  1352.43 16521.94  1907.41 16825.69  1917.89  200.647   11.759  202.497   11.715 -1.850174 16.59837 
1 1 1  -31    1   17 o  218.505   8.8435 19488.37  1569.02 19909.62  2212.16 19061.93  2225.75  219.937   12.438  215.101   12.802 4.835922 17.84915 
1 1 1  -31    1   18 o   87.064   6.5881  3108.17  462.284  2688.55  653.770  3527.78  653.766   80.326   10.258   92.449   8.8161 -12.12270 13.52595 
1 1 1  -31    1   19 o   47.038   9.4461  941.860  348.249  1323.89  454.316  397.589  542.274   55.790   10.412   35.899   13.577 19.89095 17.10995 
1 1 1  -31    1   20 o  161.593   7.9036 10737.27  1037.02  9640.21  1440.94 11915.98  1493.60  151.521   11.805  168.925   10.948 -17.40356 16.10061 
1 1 1  -31    1   21 o  154.513   8.1922  9892.56  1024.11 10381.12  1463.49  9423.74  1433.61  156.739   11.581  149.116   11.941 7.623001 16.63444 
1 1 1  -31    1   22 o  160.581   8.4047 10750.77  1092.05 11485.74  1528.26  9983.93  1561.04  164.122   11.542  152.165   12.752 11.95743 17.19961 
1 1 1  -31    1   23 f   56.333   11.035  1399.22  486.680  819.987  690.802  1970.05  685.765   44.093   15.529   66.132   13.233 -22.03896 20.40281 
1 1 1  -31    1   24 o   57.305   9.9839  1447.14  447.661  981.566  594.349  2057.54  680.548   45.977   14.354   66.982   12.982 -21.00558 19.35325 
1 1 1  -31    1   25 o   30.320   11.829  314.842  420.539 -65.3312  552.270  839.502  648.783   27.499   12.247   42.241   15.031 -14.74219 19.38895 
1 1 1  -31    1   26 o   17.727   8.5169 -436.5598  357.134 -94.0428  470.762 -900.9517  548.154   24.558   11.091   19.970   9.8059 4.588026 14.80453 
1 1 1  -31    3    1 o  1806.26  136.000 1483512.00 197997.30   0.0000   0.0000 1483512.00 197997.30  ?   ?   1806.26  136.000 0.000000 136.0003 
1 1 1  -31    3    2 o  702.629   48.542 204339.70 27524.04 204339.70 27524.04   0.0000   0.0000  702.629   48.542  ?   ?  0.000000 48.54212 
1 1 1  -31    3    4 o  1131.09   79.438 542196.62 72493.31 542196.62 72493.31   0.0000   0.0000  1131.09   79.438  ?   ?  0.000000 79.43754 
1 1 1  -31    3    5 o  776.975   30.758 246556.20 19404.75 222768.00 33677.38 258379.09 23742.15  731.127   57.185  794.364   36.810 -63.23749 68.00771 
1 1 1  -31    3    6 o  293.804   12.157 35079.43  2900.22 33940.61  5080.48 35629.94  3532.33  287.852   21.901  296.033   14.695 -8.181244 26.37454 
1 1 1  -31    3    7 o  873.557   34.245 312548.19 24290.14 304366.69 42122.45 316624.19 29731.36  851.840   61.310  877.370   41.734 -25.52966 74.16653 
1 1 1  -31    3    8 o  561.136   27.094 128726.40 12344.48   0.0000   0.0000 128726.40 12344.48  ?   ?   561.136   27.094 0.000000 27.09359 
1 1 1  -31    3    9 o  810.285   27.548 269284.09 18124.63 263103.81 25622.66 275473.50 25641.53  796.633   39.612  815.520   38.723 -18.88702 55.39499 
1 1 1  -31    3   10 o  585.545   19.559 140203.91  9299.01 135091.50 13140.79 145331.91 13160.80  572.536   28.267  594.143   27.281 -21.60706 39.28425 
1 1 1  -31    3   11 o  382.241   15.402 59657.42  4780.20 64597.02  8318.71 57222.25  5840.83  394.834   26.095  373.260   19.338 21.57471 32.47955 
1 1 1  -31    3   12 o  235.887   10.063 22653.41  1927.43 22424.73  2347.27 23126.77  3377.10  234.201   12.387  237.007   17.676 -2.806046 21.58436 
1 1 1  -31    3   13 o   91.782   6.0997  3439.15  451.984  3648.94  617.589  3197.19  663.256   94.355   8.1408   88.119   9.4156 6.236389 12.44695 
1 1 1  -31    3   14 o  262.238   9.8346 28021.96  2094.07 26796.73  2943.84 29277.00  2979.42  255.538   14.245  267.227   13.778 -11.68842 19.81790 
1 1 1  -31    3   15 f  319.458   11.691 41690.33  3032.60 40726.00  4273.62 42668.43  4304.04  314.275   16.808  321.783   16.529 -7.508331 23.57382 
1 1 1  -31    3   16 o  263.550   9.8321 28349.15  2104.01 29036.02  2959.54 27647.24  2991.76  265.705   13.765  259.129   14.274 6.576172 19.83000 
1 1 1  -31    3   17 o  425.688   15.101 74760.84  5219.50 74908.92  7368.78 74611.75  7394.27  422.127   21.571  421.205   21.694 0.9221191 30.59302 
1 1 1  -31    3   18 o  333.111   11.963 45718.27  3235.70 41842.86  4541.39 49714.02  4611.36  315.437   17.804  345.116   16.456 -29.67923 24.24417 
1 1 1  -31    3   19 o   42.545   9.6657  774.503  326.306  616.530  411.803  1041.04  534.906   38.565   11.933   49.133   13.149 -10.56809 17.75617 
1 1 1  -31    3   20 o  171.266   8.0599 12070.57  1120.83 11089.18  1558.57 13121.72  1613.02  162.481   11.896  177.105   11.276 -14.62366 16.39089 
1 1 1  -31    3   21 o   64.007   8.7589  1727.28  443.269  1817.08  572.263  1592.59  700.862   64.950   11.259   59.801   14.568 5.148453 18.41214 
1 1 1  -31    3   22 o   98.296   43.855  7897.55  7114.57  7274.21  9823.20  8585.29 10318.09   94.869   45.334   96.950   46.366 -2.080795 64.84592 
1 1 1  -31    3   23 o   53.200   11.510  1259.78  482.761  997.539  625.149  1647.21  759.847   47.024   14.727   59.380   15.569 -12.35631 21.43083 
1 1 1  -31    3   24 o  119.310   8.4311  6059.56  811.508  5448.00  1096.54  6800.08  1206.63  110.145   12.481  123.413   12.201 -13.26808 17.45420 
1 1 1  -31    3   25 o  110.741   9.4463  5396.15  841.265  5039.38  1108.29  5881.17  1292.24  102.952   13.590  109.775   14.881 -6.822540 20.15321 
1 1 1  -31    3   26 o   37.446   12.941  688.862  478.520  207.332  622.463  1384.61  748.218   31.042   13.433   49.454   16.177 -18.41180 21.02675 
1 1 1  -31    5    1 o  953.902   66.738 380942.91 51365.06   0.0000   0.0000 380942.91 51365.06  ?   ?   953.902   66.738 0.000000 66.73762 
1 1 1  -31    5    2 o  538.152   37.367 119127.80 16226.66 119127.80 16226.66   0.0000   0.0000  538.152   37.367  ?   ?  0.000000 37.36681 
1 1 1  -31    5    3 o  1250.91   88.482 668475.12 89291.09 668475.12 89291.09   0.0000   0.0000  1250.91   88.482  ?   ?  0.000000 88.48190 
1 1 1  -31    5    4 o  561.094   27.442 128412.00 12502.34 111109.80 17706.86 145613.50 17655.22  518.582   42.423  595.301   36.705 -76.71912 56.09789 
1 1 1  -31    5    5 o  1189.56   83.993 603116.62 80606.24 603116.62 80606.24   0.0000   0.0000  1189.56   83.993  ?   ?  0.000000 83.99293 
1 1 1  -31    5    6 f  740.177   29.070 223741.80 17470.93 213091.09 30309.12 229041.59 21380.31  715.777   52.517  747.862   35.209 -32.08557 63.22738 
1 1 1  -31    5    7 o  777.480   31.233 247387.59 19716.87 206065.20 34196.89 267965.09 24131.83  699.417   60.822  807.917   36.786 -108.5005 71.08085 
1 1 1  -31    5    8 o  408.549   20.326 68069.78  6742.68   0.0000   0.0000 68069.78  6742.68  ?   ?   408.549   20.326 0.000000 20.32592 
1 1 1  -31    5    9 o  408.809   16.483 68132.60  5471.42 70665.85  9520.26 66883.21  6685.88  413.688   28.517  404.085   20.444 9.602905 35.08773 
1 1 1  -31    5   10 o  649.938   25.617 173830.70 13518.67 190109.59 23453.09 165730.70 16543.52  670.132   43.334  631.313   32.382 38.81897 54.09706 
1 1 1  -31    5   11 f  935.485   37.301 367676.50 28333.28 392054.91 49113.81 355516.41 34687.23  932.601   65.270  909.801   47.117 22.80005 80.49982 
1 1 1  -31    5   12 o  342.280   14.199 47838.55  3946.27 48359.49  4822.16 46782.23  6866.64  343.223   17.360  335.460   25.398 7.763336 30.76373 
1 1 1  -31    5   13 o   72.618   9.6150  2184.74  552.994  2250.94  670.856  2044.40  976.787   73.404   11.644   69.274   17.391 4.130295 20.92969 
1 1 1  -31    5   14 o  304.961   11.457 37952.91  2837.08 38663.61  3995.95 37230.50  4028.73  306.622   16.107  300.759   16.561 5.862732 23.10169 
1 1 1  -31    5   15 o  161.604   7.1159 10628.02  933.725 10737.25  1297.29 10510.61  1344.97  161.952   9.9131  160.160   10.399 1.791397 14.36666 
1 1 1  -31    5   16 o  343.737   12.579 48403.41  3510.85 47597.68  4941.51 49224.71  4989.02  338.814   18.027  344.625   17.891 -5.811707 25.39784 
1 1 1  -31    5   17 o  356.810   13.029 52348.54  3774.64 53619.87  5321.19 51060.87  5355.27  358.467   18.343  349.473   18.943 8.993927 26.36901 
1 1 1  -31    5   18 o  151.945   7.2908  9428.78  899.494  8703.59  1230.44 10261.18  1318.25  145.159   10.511  157.712   10.352 -12.55293 14.75232 
1 1 1  -31    5   19 o  270.614   10.087 30225.84  2216.44 30303.64  3118.18 30146.39  3151.12  268.373   14.362  267.542   14.560 0.8302917 20.45138 
1 1 1  -31    5   20 o  150.928   7.9069  9398.56  965.610  8689.94  1330.32 10187.63  1403.80  143.830   11.487  155.940   11.161 -12.10988 16.01599 
1 1 1  -31    5   21 f   93.889   8.4719  3678.93  638.896  3757.03  806.210  3547.07  1047.52   94.130   10.741   89.730   14.900 4.400497 18.36789 
1 1 1  -31    5   22 o   77.411   8.7021  2528.29  537.498  2779.25  647.664  1972.98  963.418   80.699   10.106   64.927   17.761 15.77163 20.43490 
1 1 1  -31    5   23 o   46.743   11.476  977.399  432.366  973.990  517.830  985.246  785.670   46.385   13.147   47.393   16.570 -1.008297 21.15207 
1 1 1  -31    5   24 o   82.784   9.0732  2958.77  599.883  3025.96  726.543  2814.85  1063.33   82.540   11.124   74.830   17.766 7.710312 20.96123 
1 1 1  -31    5   25 o   42.135   12.108  843.365  436.207  559.740  507.423  1646.43  853.833   36.018   13.228   55.391   17.189 -19.37321 21.68992 
1 1 1  -31    5   26 o   38.571   15.955  685.662  814.446   0.0000   0.0000  685.662  814.446  ?   ?    38.571   15.955 0.000000 15.95459 
1 1 1  -31    7    1 o  664.738   46.598 182524.50 24992.03   0.0000   0.0000 182524.50 24992.03  ?   ?   664.738   46.598 0.000000 46.59797 
1 1 1  -31    7    2 o  278.460   14.017 31596.41  3159.04 37560.23  4512.67 25865.26  4423.76  303.304   18.411  251.101   21.917 52.20277 28.62370 
1 1 1  -31    7    3 o  595.168   29.004 144549.80 14016.22 121854.90 19839.96 167162.50 19803.95  542.608   45.450  637.673   38.428 -95.06555 59.51837 
1 1 1  -31    7    4 o  290.799   14.980 34471.90  3524.95 30252.08  4994.99 38658.22  4975.12  271.568   22.865  307.537   20.033 -35.96872 30.39972 
1 1 1  -31    7    5 o  538.340   26.144 118213.30 11428.10 106190.60 16169.17 130214.10 16154.39  507.208   39.574  562.798   35.533 -55.58997 53.18597 
1 1 1  -31    7    6 o  508.287   24.798 105398.90 10234.51 87961.43 14480.42 122804.40 14467.17  461.105   39.043  546.716   32.741 -85.61099 50.95377 
1 1 1  -31    7    7 o  963.709   38.881 382695.81 30424.10 309995.69 52745.28 418944.31 37244.41  846.011   77.650  1005.53   45.617 -159.5182 90.05835 
1 1 1  -31    7    8 o  608.065   30.113 151941.30 14867.76   0.0000   0.0000 151941.30 14867.76  ?   ?   608.065   30.113 0.000000 30.11324 
1 1 1  -31    7    9 o  205.835   9.3856 17228.29  1568.63 16911.51  2777.67 17376.62  1900.74  202.861   17.021  206.329   11.390 -3.468048 20.47985 
1 1 1  -31    7   10 o  410.826   16.334 68941.56  5448.51 86277.67  9487.78 60411.33  6655.33  456.852   25.681  383.138   21.480 73.71371 33.47997 
1 1 1  -31    7   11 o  276.851   11.766 31230.60  2644.93 34058.58  4634.83 29864.90  3220.88  287.461   19.981  270.055   14.744 17.40588 24.83244 
1 1 1  -31    7   12 o  200.521   11.730 16447.28  1901.58 13035.35  2742.84 19604.99  2638.68  177.165   19.383  218.510   14.962 -41.34505 24.48635 
1 1 1  -31    7   13 o  307.334   12.884 38571.23  3215.04 41042.95  5632.53 37376.75  3915.57  314.491   22.200  301.640   16.045 12.85083 27.39124 
1 1 1  -31    7   14 o  222.945   8.9146 20246.09  1613.75 22109.64  2266.87 18331.32  2297.82  232.355   12.057  211.275   13.465 21.07950 18.07388 
1 1 1  -31    7   15 o  154.551   7.2711  9722.90  912.452 10771.00  1271.30  8609.34  1310.40  162.217   9.6963  144.741   11.238 17.47609 14.84291 
1 1 1  -31    7   16 o  163.198   7.1784 10846.87  951.216 10123.50  1319.98 11628.34  1371.97  157.053   10.410  168.422   10.079 -11.36938 14.48963 
1 1 1  -31    7   17 o  268.202   9.9651 29443.69  2170.10 27842.05  3046.83 31092.79  3091.64  259.230   14.534  274.208   13.932 -14.97812 20.13258 
1 1 1  -31    7   18 o   66.210   6.7411  1808.01  357.351  2120.43  429.299  1103.12  644.843   71.638   7.4911   50.880   14.751 20.75879 16.54384 
1 1 1  -31    7   19 o  185.980   8.0516 14203.20  1215.87 13247.69  1693.06 15220.81  1747.21  178.113   11.773  191.169   11.306 -13.05516 16.32311 
1 1 1  -31    7   20 o  248.982   9.6067 25704.24  1942.15 25034.12  2740.20 26380.69  2753.07  242.563   13.972  249.275   13.654 -6.712021 19.53576 
1 1 1  -31    7   21 o  123.387   7.6658  6311.63  764.212  5560.20  1009.89  7318.49  1169.00  114.520   10.996  131.484   11.052 -16.96406 15.59038 
1 1 1  -31    7   22 o  101.529   8.2812  4320.85  676.743  3750.27  839.383  5380.60  1143.94   93.274   11.315  111.021   12.932 -17.74660 17.18331 
1 1 1  -31    7   23 f   78.813   8.6892  2645.21  546.810  2435.31  667.303  3074.20  954.001   74.361   11.417   81.648   14.941 -7.287338 18.80342 
1 1 1  -31    7   24 o   28.869   11.054  281.016  362.264  327.712  401.967   79.056  835.965   30.598   11.661   35.044   15.359 -4.445950 19.28421 
1 1 1  -31    7   25 o   80.673   9.3462  2894.16  600.875  2454.55  712.504  3976.76  1118.12   71.709   12.702   87.754   16.292 -16.04492 20.65824 
1 1 1  -31    7   26 o   32.219   14.651   73.501  838.515   0.0000   0.0000   73.501  838.515  ?   ?    32.219   14.651 0.000000 14.65102 
1 1 1  -31    9    1 o  489.211   35.052 98393.52 13831.19   0.0000   0.0000 98393.52 13831.19  ?   ?   489.211   35.052 0.000000 35.05203 
1 1 1  -31    9    2 o  1225.75   87.011 642100.38 86037.25 642100.38 86037.25   0.0000   0.0000  1225.75   87.011  ?   ?  0.000000 87.01134 
1 1 1  -31    9    3 o  1059.64   52.227 464165.00 44936.07 416239.91 63617.04 511886.31 63481.56  988.855   79.915  1102.23   71.313 -113.3769 107.1075 
1 1 1  -31    9    4 o  633.508   31.181 164079.91 16039.16 140351.91 22722.82 187641.41 22642.98  581.099   48.605  674.416   41.552 -93.31610 63.94503 
1 1 1  -31    9    5 o   79.587   7.5942  2596.18  484.798  2513.90  700.468  2671.83  671.656   77.823   11.425   80.401   10.542 -2.578308 15.54608 
1 1 1  -31    9    6 o  157.564   9.7370 10127.17  1239.62  9445.44  1772.44 10779.91  1734.35  151.674   14.571  162.266   13.280 -10.59184 19.71487 
1 1 1  -31    9    7 o  569.709   28.027 133122.00 12965.03 110799.70 18354.29 155352.20 18316.40  514.068   44.408  612.073   37.029 -98.00513 57.82112 
1 1 1  -31    9    8 o  407.862   20.369 68013.95  6745.52   0.0000   0.0000 68013.95  6745.52  ?   ?   407.862   20.369 0.000000 20.36873 
1 1 1  -31    9    9 o  551.991   21.990 124989.50  9856.05 131800.41 17144.25 121627.30 12045.56  559.999   37.928  542.301   27.445 17.69769 46.81640 
1 1 1  -31    9   10 o  532.695   21.737 116557.50  9402.06 118500.80 16358.70 115599.00 11489.28  529.453   38.311  528.236   26.876 1.217163 46.79812 
1 1 1  -31    9   11 o  580.846   23.198 139048.59 10940.79 145685.80 19022.87 135768.00 13374.14  584.595   40.322  570.905   28.946 13.68939 49.63625 
1 1 1  -31    9   12 o  277.240   11.742 31344.19  2643.28 34720.65  4655.48 29737.89  3211.06  289.930   19.896  269.304   14.741 20.62650 24.76176 
1 1 1  -31    9   13 o  110.407   7.5189  4982.33  670.038  6149.29  1286.54  4548.00  784.887  121.970   13.201  105.265   9.2778 16.70508 16.13544 
1 1 1  -31    9   14 o  288.909   12.450 34122.10  2920.69 33652.82  5153.30 34344.18  3545.04  283.865   22.544  288.983   15.161 -5.118073 27.16754 
1 1 1  -31    9   15 o  215.460   10.122 18950.07  1770.86 17432.01  3165.52 19641.55  2136.44  204.334   19.308  218.779   12.073 -14.44429 22.77226 
1 1 1  -31    9   16 o  231.351   10.743 21899.18  2018.15 22802.46  3618.76 21491.43  2431.36  233.345   19.272  228.378   13.167 4.967728 23.34079 
1 1 1  -31    9   17 o  202.347   8.5076 16737.64  1397.79 15254.96  1932.71 18363.70  2024.01  192.037   12.462  210.945   11.865 -18.90714 17.20722 
1 1 1  -31    9   18 o  214.363   10.662 18955.44  1855.76 19255.35  3448.73 18833.21  2201.69  210.857   20.398  212.566   12.816 -1.709503 24.09036 
1 1 1  -31    9   19 o   34.982   9.6146  521.501  281.537  627.444  316.491  119.780  616.295   38.252   10.057   33.024   13.787 5.227360 17.06543 
1 1 1  -31    9   20 o   72.306   7.9304  2180.23  457.950  2223.33  576.905  2106.81  752.994   72.453   10.079   69.306   13.865 3.147141 17.14154 
1 1 1  -31    9   21 o   32.887   10.431  449.562  312.702  845.010  351.406 -1054.8370  685.402   44.087   10.041   23.795   11.522 20.29220 15.28353 
1 1 1  -31    9   22 o   27.543   10.651  222.976  338.683  130.965  366.636  758.293  884.342   26.424   10.792   45.242   17.284 -18.81832 20.37639 
1 1 1  -31    9   23 o   96.154   8.1434  3913.09  629.812  3482.31  784.997  4691.35  1055.13   89.147   11.084  102.325   12.992 -13.17770 17.07792 
1 1 1  -31    9   24 o   43.510   11.072  868.923  392.114  944.251  431.563  512.477  938.781   45.150   11.683   40.689   17.004 4.460720 20.63079 
1 1 1  -31    9   25 o   44.145   11.980  943.613  440.396  578.518  474.962  3181.57  1175.93   35.708   12.844   73.605   19.401 -37.89656 23.26791 
1 1 1  -31   11    1 o  863.260   60.819 312472.50 42357.84   0.0000   0.0000 312472.50 42357.84  ?   ?   863.260   60.819 0.000000 60.81903 
1 1 1  -31   11    2 o  1157.26   82.955 575649.50 77432.20   0.0000   0.0000 575649.50 77432.20  ?   ?   1157.26   82.955 0.000000 82.95517 
1 1 1  -31   11    3 o  819.641   57.243 281561.31 37857.34   0.0000   0.0000 281561.31 37857.34  ?   ?   819.641   57.243 0.000000 57.24314 
1 1 1  -31   11    4 o  289.507   21.316 34358.84  4975.58   0.0000   0.0000 34358.84  4975.58  ?   ?   289.507   21.316 0.000000 21.31628 
1 1 1  -31   11    5 o  232.464   17.866 22148.01  3346.36   0.0000   0.0000 22148.01  3346.36  ?   ?   232.464   17.866 0.000000 17.86552 
1 1 1  -31   11    6 o  858.482   42.234 306733.19 29439.64 293079.00 41698.86 320302.59 41569.32  825.082   62.712  865.122   59.540 -40.03973 86.47446 
1 1 1  -31   11    7 o  721.996   34.672 216078.09 20326.16 238129.59 28802.58 194200.41 28688.82  749.858   47.552  673.587   52.879 76.27130 71.11530 
1 1 1  -31   11    8 f  279.708   14.799 31998.41  3349.05 32514.98  4804.12 31510.03  4671.23  280.884   21.221  276.535   20.960 4.348938 29.82679 
1 1 1  -31   11    9 o   95.505   6.4686  3723.77  498.660  3887.61  1022.57  3672.65  571.179   96.743   13.375   94.753   7.4850 1.989395 15.32736 
1 1 1  -31   11   10 o   80.997   6.8154  2685.66  444.060  1870.70  936.690  2921.91  504.335   66.388   17.228   84.448   7.4308 -18.05981 18.76201 
1 1 1  -31   11   11 o  226.591   12.589 21009.78  2307.00 20548.68  3398.58 21403.81  3141.71  222.972   18.952  227.965   17.098 -4.992935 25.52433 
1 1 1  -31   11   12 o  253.780   11.357 26266.71  2340.31 22809.98  4170.55 27855.49  2827.44  233.995   22.217  260.773   13.399 -26.77745 25.94463 
1 1 1  -31   11   13 o  303.612   12.934 37683.30  3188.41 37106.54  5649.15 37952.91  3862.40  298.056   23.534  303.806   15.711 -5.750732 28.29648 
1 1 1  -31   11   14 o  305.243   13.299 38154.03  3296.24 32476.99  5842.25 40805.13  3992.38  277.078   26.283  315.162   15.601 -38.08398 30.56419 
1 1 1  -31   11   15 o   94.402   8.5631  3663.25  649.236  1563.11  1312.91  4343.03  746.955   63.282   21.446  102.789   9.0417 -39.50668 23.27451 
1 1 1  -31   11   16 o  192.564   9.7048 15203.07  1512.52 16210.61  2801.02 14788.36  1797.04  196.672   17.731  189.482   11.738 7.189850 21.26423 
1 1 1  -31   11   17 o  138.514   9.1845  7898.16  1027.11  6910.54  1957.54  8273.35  1206.53  126.375   19.721  141.466   10.580 -15.09076 22.38002 
1 1 1  -31   11   18 o   76.519   11.032  2470.75  665.627  2549.45  1859.31  2459.19  712.874   76.165   25.523   76.102   11.929 0.6306458E-01 28.17330 
1 1 1  -31   11   19 o   92.574   10.499  3602.97  775.228  3787.10  1865.12  3564.52  852.342   89.300   24.826   91.695   11.716 -2.395164 27.45133 
1 1 1  -31   11   20 o  138.288   10.568  8041.84  1177.61 12322.10  2730.98  7064.20  1305.19  163.796   21.019  128.593   12.665 35.20294 24.53957 
1 1 1  -31   11   21 o   75.010   14.532  2518.11  853.117  1535.23  2413.85  2658.41  911.974   65.351   27.285   76.831   15.157 -11.48039 31.21214 
1 1 1  -31   11   22 o   24.718   11.784 -757.6315  655.674  632.578  1964.76 -931.8590  695.547   54.201   23.656   24.570   11.825 29.63153 26.44688 
1 1 1  -31   11   23 o   32.324   15.114 -631.6707  985.802  2237.33  2250.55 -1312.8350  1096.60   63.818   26.470   30.475   14.713 33.34265 30.28386 
1 1 1  -31   11   24 o   28.207   13.785 -1444.1140  1044.91   0.0000   0.0000 -1444.1140  1044.91  ?   ?    28.207   13.785 0.000000 13.78526 
1 1 1  -31   11   25 o   25.327   10.100  198.393  312.673  319.354  330.974 -805.5501  953.511   28.363   10.633   28.741   13.836 -0.3781242 17.44928 
1 1 1  -31   13    1 o  771.601   38.536 245786.59 24143.50   0.0000   0.0000 245786.59 24143.50  ?   ?   771.601   38.536 0.000000 38.53622 
1 1 1  -31   13    2 o  517.900   26.356 110064.20 11046.56 128838.40 15596.43 91165.39 15648.10  558.381   34.570  467.359   41.673 91.02112 54.14512 
1 1 1  -31   13    3 o  714.974   51.097 215447.00 29468.30 215447.00 29468.30   0.0000   0.0000  714.974   51.097  ?   ?  0.000000 51.09722 
1 1 1  -31   13    4 o  482.684   34.941 96716.31 13601.51 96716.31 13601.51   0.0000   0.0000  482.684   34.941  ?   ?  0.000000 34.94083 
1 1 1  -31   13    8 o  562.025   40.279 133844.50 18259.20   0.0000   0.0000 133844.50 18259.20  ?   ?   562.025   40.279 0.000000 40.27884 
1 1 1  -31   13    9 o  269.979   13.654 29813.92  2983.34   0.0000   0.0000 29813.92  2983.34  ?   ?   269.979   13.654 0.000000 13.65361 
1 1 1  -31   13   10 o  124.354   7.9621  6315.71  799.729   0.0000   0.0000  6315.71  799.729  ?   ?   124.354   7.9621 0.000000 7.962145 
1 1 1  -31   13   11 o  250.421   18.614 25897.91  3757.73   0.0000   0.0000 25897.91  3757.73  ?   ?   250.421   18.614 0.000000 18.61368 
1 1 1  -31   13   12 o  276.345   15.041 31370.80  3362.25   0.0000   0.0000 31370.80  3362.25  ?   ?   276.345   15.041 0.000000 15.04107 
1 1 1  -31   13   13 o  235.685   10.686 22669.99  2045.02 26317.71  3803.41 21186.58  2425.46  251.917   18.728  227.156   13.207 24.76147 22.91665 
1 1 1  -31   13   14 o  366.266   15.260 55155.50  4538.39 56756.38  8096.13 54421.96  5480.41  365.533   27.479  362.232   18.697 3.301575 33.23667 
1 1 1  -31   13   15 o  121.272   8.5983  6031.03  841.174  2699.12  1930.67  6811.71  934.539   80.400   25.964  128.863   8.9879 -48.46238 27.47553 
1 1 1  -31   13   16 o  176.541   9.7918 12809.35  1398.11 12289.49  2683.36 13003.06  1638.02  169.747   19.843  177.487   11.427 -7.740051 22.89815 
1 1 1  -31   13   17 o  180.088   10.271 13402.42  1495.71 11502.72  2976.80 14044.00  1729.94  160.953   23.468  183.907   11.645 -22.95349 26.19855 
1 1 1  -31   13   18 o  100.039   10.256  4183.49  821.296  5226.83  1932.07  3953.38  907.356  106.647   22.989   96.772   11.791 9.874962 25.83658 
1 1 1  -31   13   19 o  200.512   11.035 16842.66  1789.71 19815.71  3707.67 15939.48  2043.55  208.178   22.280  193.855   13.059 14.32361 25.82537 
1 1 1  -31   13   20 o  108.544   10.883  4997.62  946.236  5240.15  2614.84  4961.08  1015.03   98.728   29.982  107.746   11.795 -9.018707 32.21815 
1 1 1  -31   13   21 o   87.453   13.257  3372.69  911.858  1183.71  2287.96  3786.04  994.232   61.347   26.135   92.540   13.641 -31.19308 29.48072 
1 1 1  -31   13   22 o  101.033   14.087  4614.43  1124.21  5097.22  3077.62  4540.10  1207.67   86.067   32.392   99.186   15.503 -13.11884 35.91047 
1 1 1  -31   13   23 o   81.825   19.629  3517.62  1287.42  7403.29  2843.42  2515.65  1443.90  100.339   31.406   66.343   22.491 33.99593 38.62886 
1 1 1  -31   13   24 o   47.392   19.297  1125.27  1167.66   0.0000   0.0000  1125.27  1167.66  ?   ?    47.392   19.297 0.000000 19.29693 
1 1 1  -31   13   25 o   40.685   17.744  767.335  1103.71   0.0000   0.0000  767.335  1103.71  ?   ?    40.685   17.744 0.000000 17.74431 
1 1 1  -31   15    1 o  849.056   61.741 312724.81 42273.31   0.0000   0.0000 312724.81 42273.31  ?   ?   849.056   61.741 0.000000 61.74119 
1 1 1  -31   15    2 o  404.448   21.554 67130.46  7052.62 61248.75 10181.36 72556.09  9778.64  383.465   33.022  418.763   28.936 -35.29758 43.90598 
1 1 1  -31   15    3 o  824.820   41.837 285735.91 27927.73 270745.59 39695.39 300428.50 39299.14  786.799   62.654  832.799   58.488 -45.99957 85.71140 
1 1 1  -31   15    4 o  333.849   18.716 45701.96  5053.09 36536.99  7323.77 54028.76  6980.85  295.687   30.964  362.007   23.884 -66.32037 39.10472 
1 1 1  -31   15    5 o   57.008   10.767  1366.17  480.128  408.647  801.673  1901.72  599.546   41.550   16.298   67.435   11.353 -25.88465 19.86204 
1 1 1  -31   15    6 o  555.639   39.791 130459.80 17833.22   0.0000   0.0000 130459.80 17833.22  ?   ?   555.639   39.791 0.000000 39.79088 
1 1 1  -31   15    7 o  401.417   30.091 67230.73  9736.44 67230.73  9736.44   0.0000   0.0000  401.417   30.091  ?   ?  0.000000 30.09106 
1 1 1  -31   15    8 o  222.025   19.439 20367.59  3469.13 20367.59  3469.13   0.0000   0.0000  222.025   19.439  ?   ?  0.000000 19.43920 
1 1 1  -31   15    9 f  415.632   31.063 72538.05 10407.30 72538.05 10407.30   0.0000   0.0000  415.632   31.063  ?   ?  0.000000 31.06288 
1 1 1  -31   15   10 o  104.423   8.6076  4467.99  723.311  6915.40  1446.17  3651.50  835.296  129.342   13.993   93.986   11.164 35.35661 17.90095 
1 1 1  -31   15   11 o  173.253   10.667 12285.76  1493.33 13157.52  2417.94 11748.19  1898.73  178.265   16.907  168.907   13.970 9.357834 21.93181 
1 1 1  -31   15   12 o  149.382   12.889  9193.03  1548.01   0.0000   0.0000  9193.03  1548.01  ?   ?   149.382   12.889 0.000000 12.88875 
1 1 1  -31   15   13 o  350.780   25.639 51914.54  7251.95   0.0000   0.0000 51914.54  7251.95  ?   ?   350.780   25.639 0.000000 25.63897 
1 1 1  -31   15   14 o  295.341   22.166 36721.01  5276.88   0.0000   0.0000 36721.01  5276.88  ?   ?   295.341   22.166 0.000000 22.16640 
1 1 1  -31   15   15 o  271.497   21.049 31244.89  4603.85   0.0000   0.0000 31244.89  4603.85  ?   ?   271.497   21.049 0.000000 21.04871 
1 1 1  -31   15   16 o   75.171   16.316  2455.45  967.279   0.0000   0.0000  2455.45  967.279  ?   ?    75.171   16.316 0.000000 16.31582 
1 1 1  -31   15   17 o  133.637   15.104  7612.73  1610.17   0.0000   0.0000  7612.73  1610.17  ?   ?   133.637   15.104 0.000000 15.10415 
1 1 1  -31   15   18 o   45.324   17.437  650.439  903.968   0.0000   0.0000  650.439  903.968  ?   ?    45.324   17.437 0.000000 17.43650 
1 1 1  -31   15   19 o   83.447   21.176  3280.67  1437.21   0.0000   0.0000  3280.67  1437.21  ?   ?    83.447   21.176 0.000000 21.17635 
1 1 1  -31   15   20 o   50.179   19.399  909.317  1123.24   0.0000   0.0000  909.317  1123.24  ?   ?    50.179   19.399 0.000000 19.39930 
1 1 1  -31   15   21 o  132.265   20.776  8524.53  2157.65   0.0000   0.0000  8524.53  2157.65  ?   ?   132.265   20.776 0.000000 20.77566 
1 1 1  -31   17    1 o  185.570   13.016 14097.84  1948.83   0.0000   0.0000 14097.84  1948.83  ?   ?   185.570   13.016 0.000000 13.01624 
1 1 1  -31   17    2 o  372.203   16.438 56565.35  4967.80 55084.84  8778.56 57262.84  6025.43  363.731   29.991  373.471   19.942 -9.739532 36.01598 
1 1 1  -31   17    3 o  387.635   16.790 61381.22  5284.73 58753.25  9264.53 62648.76  6434.20  375.388   30.663  390.536   20.361 -15.14777 36.80751 
1 1 1  -31   17    4 o  459.382   24.301 87071.53  9031.95 79411.05 13011.72 94194.78 12547.17  433.934   37.292  474.812   32.745 -40.87842 49.62789 
1 1 1  -31   17    5 o  533.295   27.204 117835.80 11740.48 114616.10 16819.26 120895.40 16395.93  519.837   40.159  535.154   37.979 -15.31744 55.27365 
1 1 1  -31   17    6 f  140.559   10.658  8090.66  1207.34 10673.89  1945.05  6471.46  1539.93  160.979   15.056  124.921   15.516 36.05772 21.61983 
1 1 1  -31   17    7 o  187.493   12.126 14390.43  1836.14 14334.14  2813.61 14432.19  2423.28  186.033   18.889  187.179   16.101 -1.145706 24.81982 
1 1 1  -31   17    8 o   85.215   11.795  3016.53  794.235  5011.02  1516.78  2263.07  932.262  109.209   17.712   72.955   16.163 36.25423 23.97836 
1 1 1  -31   17    9 o  269.834   14.499 29860.36  3165.13 36007.81  4708.20 24791.22  4275.38  295.177   19.758  244.178   21.793 50.99890 29.41641 
1 1 1  -31   17   10 f  120.787   10.018  5986.82  973.630  2875.89  1858.89  7162.89  1142.94   82.892   25.303  132.097   10.749 -49.20533 27.49127 
1 1 1  -31   17   11 o  164.938   9.8867 11132.18  1317.97  6608.33  2706.21 12538.80  1509.02  123.184   27.726  174.975   10.672 -51.79198 29.70870 
1 1 1  -31   17   12 o  270.174   12.905 29889.64  2830.96 25129.25  5289.08 31801.03  3351.46  242.810   27.301  277.898   14.907 -35.08795 31.10539 
1 1 1  -31   17   13 f  118.257   8.2605  5729.50  788.201  6946.76  1903.00  5477.44  865.973  128.104   18.860  115.469   9.3157 12.63555 21.03486 
1 1 1  -31   17   14 o  244.657   12.019 24593.95  2387.71 19611.07  4510.59 26533.84  2814.37  212.163   26.780  253.309   13.735 -41.14592 30.09653 
1 1 1  -31   17   15 o   62.902   12.596  1691.70  620.922  250.896  1563.60  1961.44  676.554   51.645   21.785   67.814   12.755 -16.16901 25.24435 
1 1 1  -31   17   16 o  130.018   9.4479  6994.28  990.597  5893.38  2290.34  7247.61  1098.68  112.935   25.571  132.127   10.323 -19.19246 27.57624 
1 1 1  -31   17   17 o  116.942   10.130  5705.02  952.357  6143.04  2315.18  5615.81  1044.85  113.982   25.637  115.652   11.270 -1.669701 28.00468 
1 1 1  -31   17   18 o   51.621   14.062  1172.72  605.395  2900.19  1963.74  991.299  636.391   78.091   26.230   47.969   14.832 30.12172 30.13329 
1 1 1  -31   17   19 o   37.258   15.049  328.477  703.650  298.312  2028.72  332.602  750.221   54.831   23.982   38.145   15.492 16.68677 28.55040 
1 1 1  -31   17   20 o   67.234   13.877  2032.78  732.477  1699.16  2412.73  2066.65  768.761   65.362   27.283   67.555   14.452 -2.192673 30.87443 
1 1 1  -31   17   21 o   92.622   13.337  3849.80  974.073  4827.23  2885.35  3724.08  1034.83   84.912   31.480   90.240   14.623 -5.327766 34.71033 
1 1 1  -31   17   22 o   64.337   19.065  2174.52  1066.91 -542.3111  3027.94  2559.64  1140.02   52.152   24.988   69.571   19.433 -17.41901 31.65492 
1 1 1  -31   17   23 o   70.284   21.090  2989.84  1299.58   0.0000   0.0000  2989.84  1299.58  ?   ?    70.284   21.090 0.000000 21.09026 
1 1 1  -31   17   24 o   73.181   23.891  4219.62  1632.38   0.0000   0.0000  4219.62  1632.38  ?   ?    73.181   23.891 0.000000 23.89146 
1 1 1  -31   19    1 o  132.138   12.424  7177.27  1317.38   0.0000   0.0000  7177.27  1317.38  ?   ?   132.138   12.424 0.000000 12.42439 
1 1 1  -31   19    2 o  463.560   18.929 88014.45  7124.62 96774.53 12611.01 83907.75  8634.61  480.983   32.481  450.909   23.667 30.07458 40.18888 
1 1 1  -31   19    3 o  536.461   22.506 118356.10  9803.30 106191.00 17172.52 124237.30 11940.11  498.250   42.864  548.151   26.827 -49.90137 50.56718 
1 1 1  -31   19    4 o  211.516   14.659 18354.33  2502.06   0.0000   0.0000 18354.33  2502.06  ?   ?   211.516   14.659 0.000000 14.65896 
1 1 1  -31   19    5 f  227.483   14.378 21215.89  2642.15 20086.18  4033.11 22065.27  3497.09  219.644   22.953  231.228   18.789 -11.58408 29.66273 
1 1 1  -31   19    6 o  214.990   14.107 18959.04  2448.93 15561.11  3744.08 21499.68  3237.50  192.552   24.502  228.383   17.594 -35.83037 30.16494 
1 1 1  -31   19    7 o  498.933   26.509 103704.80 10700.84 94303.87 15399.33 112483.00 14880.54  467.534   40.978  514.348   35.855 -46.81409 54.44999 
1 1 1  -31   19    8 o  194.799   13.111 15571.86  2061.73 15090.35  3235.69 15900.98  2675.10  190.080   21.333  196.161   16.962 -6.081070 27.25470 
1 1 1  -31   19    9 o  368.504   29.496 57413.50  8751.68 57413.50  8751.68   0.0000   0.0000  368.504   29.496  ?   ?  0.000000 29.49625 
1 1 1  -31   19   10 o  343.636   18.074 48789.27  5025.34 54244.33  7425.06 44178.36  6826.42  359.317   25.618  323.851   26.184 35.46640 36.63165 
1 1 1  -31   19   11 o  195.966   9.6278 15667.60  1531.95 17701.12  3314.97 15115.38  1727.48  205.695   20.105  192.008   11.128 13.68637 22.97938 
1 1 1  -31   19   12 o  160.679   8.8750 10566.61  1153.40 11539.79  2667.35 10342.80  1279.18  165.268   20.304  158.794   9.9716 6.473602 22.62059 
1 1 1  -31   19   13 o  249.812   12.016 25645.40  2437.36 24236.87  4802.83 26133.98  2828.68  236.844   25.369  251.299   13.917 -14.45468 28.93581 
1 1 1  -31   19   14 o  266.079   12.540 29264.80  2709.31 28688.50  5277.37 29471.05  3157.12  255.182   25.826  265.763   14.688 -10.58109 29.71001 
1 1 1  -31   19   15 o  223.026   10.368 20524.63  1877.50 27843.82  3895.47 18309.95  2142.81  254.392   18.996  209.472   12.658 44.92010 22.82704 
1 1 1  -31   19   16 o  269.515   13.048 30448.29  2855.30 25231.08  5579.48 32299.39  3323.46  228.436   30.872  275.932   14.889 -47.49619 34.27459 
1 1 1  -31   19   17 o  183.940   10.912 14166.78  1622.39 11422.24  3607.00 14862.85  1816.51  150.507   30.559  187.844   11.972 -37.33713 32.82056 
1 1 1  -31   19   18 o  155.249   10.655 10150.60  1335.00  9298.62  3243.64 10324.36  1464.81  132.486   30.746  156.038   11.645 -23.55225 32.87723 
1 1 1  -31   19   19 o   71.791   13.000  2276.45  729.900  5770.82  2516.19  1955.39  762.694  102.316   28.974   65.762   14.658 36.55391 32.47065 
1 1 1  -31   19   20 o   90.175   12.769  3601.37  908.830  1154.63  2906.27  3866.57  956.817   62.831   28.031   93.362   12.972 -30.53127 30.88694 
1 1 1  -31   19   21 o   56.456   20.400  1600.39  1199.79  1803.31  2968.20  1560.76  1311.72   62.529   28.080   56.132   21.143 6.397243 35.15000 
1 1 1  -31   19   22 o   46.213   18.209  984.865  1004.95 -1172.8870  2697.10  1332.73  1082.93   46.250   22.502   50.763   19.190 -4.512634 29.57350 
1 1 1  -31   19   23 o  110.046   25.428  8558.03  2226.46   0.0000   0.0000  8558.03  2226.46  ?   ?   110.046   25.428 0.000000 25.42821 
1 1 1  -31   21    1 o  257.888   16.282 27312.68  3391.85   0.0000   0.0000 27312.68  3391.85  ?   ?   257.888   16.282 0.000000 16.28186 
1 1 1  -31   21    2 o  378.057   20.527 58915.81  6277.64   0.0000   0.0000 58915.81  6277.64  ?   ?   378.057   20.527 0.000000 20.52728 
1 1 1  -31   21    3 o  325.971   15.751 43467.27  4168.94 42839.34  7494.05 43748.68  5016.88  319.453   29.215  325.921   19.040 -6.467957 34.87202 
1 1 1  -31   21    4 o  412.639   18.902 69922.88  6332.96 64885.39 11183.37 72300.86  7683.67  390.433   35.671  417.954   22.727 -27.52097 42.29542 
1 1 1  -31   21    5 o  384.574   21.361 61159.48  6643.94 57091.05  9756.05 64678.14  9072.98  366.862   33.108  392.707   28.652 -25.84540 43.78456 
1 1 1  -31   21    6 o  467.516   24.552 90932.49  9287.45 91386.10 13520.76 90527.26 12779.43  462.159   36.323  461.196   34.373 0.9624329 50.00885 
1 1 1  -31   21    7 o  273.808   17.022 30903.12  3765.65 25494.33  5675.27 35157.32  5033.22  244.946   29.105  290.866   21.463 -45.91972 36.16282 
1 1 1  -31   21    8 o  313.810   27.390 41573.83  6909.04 41573.83  6909.04   0.0000   0.0000  313.810   27.390  ?   ?  0.000000 27.38974 
1 1 1  -31   21    9 f  157.682   12.680 10237.96  1609.70 11157.16  2701.43  9731.92  2004.40  162.788   20.922  152.980   16.392 9.807465 26.57867 
1 1 1  -31   21   10 o  244.016   14.913 24569.31  2940.60 26837.83  4570.69 22967.21  3841.10  252.554   22.525  234.251   20.398 18.30331 30.38883 
1 1 1  -31   21   11 o  170.233   10.208 11892.63  1404.51  8587.87  3204.29 12678.55  1562.62  139.016   29.311  175.636   11.013 -36.61934 31.31148 
1 1 1  -31   21   12 o  298.425   12.795 36696.54  3100.25 42120.82  6159.18 34855.84  3587.93  312.885   24.438  289.546   15.316 23.33884 28.84042 
1 1 1  -31   21   13 o  175.074   9.9117 12629.70  1403.22 12132.40  3235.47 12744.90  1557.30  165.411   24.859  175.582   10.978 -10.17079 27.17494 
1 1 1  -31   21   14 o   95.962   8.7211  3812.26  672.110  9087.93  2421.58  3371.93  699.597  143.388   21.459   89.980   9.7305 53.40758 23.56202 
1 1 1  -31   21   15 o   58.039   12.847  1462.08  589.419  453.166  2078.17  1550.34  614.659   58.486   24.912   59.754   13.035 -1.268051 28.11624 
1 1 1  -31   21   16 o  121.274   10.270  6156.17  1001.79  2639.39  2940.35  6618.00  1065.54   79.186   31.164  125.670   10.540 -46.48396 32.89756 
1 1 1  -31   21   17 o   37.940   13.747  529.490  545.327 -60.8513  1991.94  577.320  566.989   52.644   23.363   39.147   14.039 13.49743 27.25621 
1 1 1  -31   21   18 o   96.742   11.327  4014.07  872.919  1256.79  3011.89  4266.91  912.065   67.062   29.278   99.708   11.475 -32.64667 31.44675 
1 1 1  -31   21   19 o   97.123   12.618  4146.25  971.558  5477.41  3277.67  4018.03  1017.28   90.991   33.587   95.043   13.567 -4.051247 36.22407 
1 1 1  -31   21   20 o  116.782   17.629  6563.17  1619.57  4779.75  3872.45  6941.25  1783.00   78.411   33.717  118.513   19.184 -40.10231 38.79293 
1 1 1  -31   21   21 o   82.396   20.493  3719.65  1365.36  2585.97  3867.37  3881.07  1459.33   62.768   29.534   83.047   21.480 -20.27941 36.51925 
1 1 1  -31   21   22 o   49.399   20.832  1345.55  1429.13   0.0000   0.0000  1345.55  1429.13  ?   ?    49.399   20.832 0.000000 20.83185 
1 1 1  -31   23    1 o   72.293   16.215  2225.11  928.354   0.0000   0.0000  2225.11  928.354  ?   ?    72.293   16.215 0.000000 16.21483 
1 1 1  -31   23    2 o  291.199   18.081 34960.32  4254.11   0.0000   0.0000 34960.32  4254.11  ?   ?   291.199   18.081 0.000000 18.08136 
1 1 1  -31   23    3 o  275.042   14.569 31039.54  3241.93 29675.26  6011.16 31599.13  3849.81  265.037   28.374  276.945   17.205 -11.90753 33.18250 
1 1 1  -31   23    4 o  322.729   15.910 42703.59  4169.26 39747.53  7551.17 43999.95  5000.58  305.891   30.823  326.397   18.950 -20.50586 36.18191 
1 1 1  -31   23    5 o  390.265   18.418 62704.57  5836.43 61356.77 10312.14 63339.78  7079.42  378.531   33.911  390.328   22.432 -11.79742 40.65844 
1 1 1  -31   23    6 o  234.444   15.753 22660.11  2981.29 21826.21  4737.42 23206.90  3836.15  227.052   26.176  236.124   20.203 -9.071762 33.06592 
1 1 1  -31   23    7 f  143.388   26.157  8870.79  2933.10  8870.79  2933.10   0.0000   0.0000  143.388   26.157  ?   ?  0.000000 26.15663 
1 1 1  -31   23    8 f  497.055   27.877 104951.30 11205.42 93658.71 16322.27 115017.80 15410.71  453.918   44.873  511.595   37.357 -57.67624 58.38805 
1 1 1  -31   23    9 o  298.138   18.128 36995.97  4367.65 34327.22  6669.20 39000.14  5779.47  281.454   29.628  303.573   23.633 -22.11942 37.89908 
1 1 1  -31   23   10 o  318.602   18.765 42531.43  4833.00 42439.15  7387.74 42600.46  6390.08  311.252   29.588  314.997   25.195 -3.745178 38.86168 
1 1 1  -31   23   11 o  236.667   15.995 23443.22  3055.66 21847.77  4896.31 24460.98  3910.66  221.925   27.781  239.626   20.290 -17.70128 34.40129 
1 1 1  -31   23   12 o  172.186   9.2620 12206.01  1290.16 14684.64  3297.42 11757.98  1401.92  183.012   22.676  168.715   10.283 14.29669 24.89811 
1 1 1  -31   23   13 o  184.955   10.683 14187.14  1597.48 12610.55  3856.09 14513.78  1755.18  163.029   30.244  186.716   11.635 -23.68764 32.40467 
1 1 1  -31   23   14 o  258.519   12.792 27989.12  2685.11 24252.82  5783.75 29015.63  3031.61  221.037   33.256  261.870   14.312 -40.83363 36.20506 
1 1 1  -31   23   15 o  214.418   11.621 19299.76  2015.64 21295.51  4832.15 18879.35  2217.81  208.296   29.387  211.199   12.996 -2.903229 32.13263 
1 1 1  -31   23   16 o  142.137   9.8164  8458.86  1125.97 13948.63  3657.21  7884.01  1183.45  167.161   27.930  136.790   10.741 30.37097 29.92461 
1 1 1  -31   23   17 o   63.017   14.275  1783.39  713.474  419.681  3161.00  1856.59  732.374   64.039   28.848   64.281   14.390 -0.2422714 32.23822 
1 1 1  -31   23   18 o   32.115   13.373  166.606  577.631 -2060.7180  3284.46  237.695  586.777   53.903   25.879   33.330   13.637 20.57338 29.25255 
1 1 1  -31   23   19 o  131.437   19.206  8464.69  1989.20  2667.94  4487.41  9882.33  2219.15   70.697   32.781  141.260   19.899 -70.56238 38.34760 
1 1 1  -31   23   20 o   61.519   21.739  2122.04  1354.83  2199.91  3501.65  2108.33  1469.26   62.422   28.948   60.989   22.493 1.432335 36.65944 
1 1 1  -31   23   21 o   36.590   17.076 -313.9314  1248.88  2187.25  4398.31 -533.2742  1302.49   56.609   27.793   35.993   16.998 20.61526 32.57850 
1 1 1  -31   25    1 o  440.442   24.722 81126.03  8805.50   0.0000   0.0000 81126.03  8805.50  ?   ?   440.442   24.722 0.000000 24.72217 
1 1 1  -31   25    2 o  280.346   18.237 32521.81  4128.63   0.0000   0.0000 32521.81  4128.63  ?   ?   280.346   18.237 0.000000 18.23651 
1 1 1  -31   25    3 o  275.935   15.081 31336.26  3366.19 40445.34  6450.79 27927.68  3946.05  309.752   25.886  259.440   18.861 50.31219 32.02827 
1 1 1  -31   25    4 o  156.885   13.776 10163.45  1737.06 11465.51  3488.17  9734.07  2003.09  163.041   27.315  152.971   16.382 10.06985 31.85084 
1 1 1  -31   25    5 o  364.943   23.612 55934.41  6959.38 55876.13  9675.98 55996.89 10016.99  358.749   33.609  358.262   34.877 0.4864197 48.43539 
1 1 1  -31   25    6 o  264.938   15.196 28990.22  3255.22 30302.73  6031.28 28450.73  3866.79  265.431   28.427  261.445   18.331 3.985596 33.82462 
1 1 1  -31   25    7 o  116.662   15.323  5707.91  1416.34  6896.55  2765.65  5285.35  1648.99  124.694   28.001  111.269   18.930 13.42481 33.79929 
1 1 1  -31   25    8 o  242.813   17.076 24632.49  3345.27 23522.67  5507.57 25281.30  4211.07  230.594   30.136  244.038   21.470 -13.44330 37.00225 
1 1 1  -31   25    9 o   42.336   16.457  484.179  811.768 -851.3402  1929.75  771.315  894.787   49.666   22.441   47.674   17.557 1.992424 28.49344 
1 1 1  -31   25   10 o  191.804   15.330 15454.86  2367.46 15270.02  4166.39 15543.00  2877.07  183.180   28.976  190.760   18.820 -7.579987 34.55130 
1 1 1  -31   25   11 o   21.031   10.322 -1202.6350  604.838 -4409.2529  1939.54 -857.2048  636.582   35.425   17.586   24.053   11.507 11.37174 21.01610 
1 1 1  -31   25   12 o  119.416   8.9822  5901.62  864.557  3064.68  2987.16  6160.98  903.214   84.842   31.916  121.974   9.1873 -37.13127 33.21174 
1 1 1  -31   25   13 o  155.595   10.405 10086.39  1306.96  508.984  3733.41 11424.04  1395.25   72.820   32.166  165.623   10.428 -92.80240 33.81463 
1 1 1  -31   25   14 o   67.945   10.072  1958.02  538.821  2233.10  2690.70  1946.53  549.961   74.795   29.691   67.667   10.338 7.128342 31.43959 
1 1 1  -31   25   15 o   25.139   10.672   26.014  379.151 -4008.3750  2623.33  112.086  383.174   44.181   21.645   26.741   10.990 17.44017 24.27519 
1 1 1  -31   25   16 o  134.557   9.9574  7637.74  1080.18  6930.93  3761.48  7701.26  1127.67  104.367   36.269  134.904   10.374 -30.53697 37.72382 
1 1 1  -31   25   17 o  180.450   11.068 13944.95  1613.91 19365.56  5048.89 13328.03  1703.28  173.960   36.888  175.589   12.019 -1.628311 38.79715 
1 1 1  -31   25   18 o   35.667   16.509 -554.3688  1130.80 -10675.1699  4030.81  310.195  1178.10   42.351   21.547   43.001   18.544 -0.6497765 28.42775 
1 1 1  -31   25   19 o   52.920   21.218  1334.97  1387.74  6295.44  3873.59  604.549  1486.41   80.098   34.062   47.147   20.576 32.95104 39.79438 
1 1 1  -31   25   20 o   39.177   18.038 -62.3243  1324.36 -4740.9600  4991.50  291.977  1373.59   48.271   24.500   41.961   18.949 6.310143 30.97271 
1 1 1  -31   25   21 o   31.178   15.258 -1279.4270  1293.35   0.0000   0.0000 -1279.4270  1293.35  ?   ?    31.178   15.258 0.000000 15.25827 
1 1 1  -31   27    1 o  171.741   17.150 12322.04  2359.56   0.0000   0.0000 12322.04  2359.56  ?   ?   171.741   17.150 0.000000 17.15001 
1 1 1  -31   27    2 o  112.514   19.444  5411.02  1712.11   0.0000   0.0000  5411.02  1712.11  ?   ?   112.514   19.444 0.000000 19.44410 
1 1 1  -31   27    3 o   64.556   27.953 -92.1021  2698.74   0.0000   0.0000 -92.1021  2698.74  ?   ?    64.556   27.953 0.000000 27.95262 
1 1 1  -31   27    4 o   48.264   17.690  789.119  906.859  189.494  2376.30  891.334  981.113   62.371   26.605   50.678   18.427 11.69376 32.36285 
1 1 1  -31   27    5 o  292.830   16.821 35771.98  3982.80 40100.98  7515.04 34081.18  4696.63  300.657   31.240  283.964   20.508 16.69321 37.36963 
1 1 1  -31   27    6 o  151.410   14.944  9594.69  1813.23  9692.81  3818.77  9566.13  2060.30  144.512   33.238  150.473   17.170 -5.960144 37.41074 
1 1 1  -31   27    7 o  142.434   14.860  8521.56  1693.31  8188.04  3719.50  8608.75  1901.82  131.229   34.464  142.538   16.752 -11.30898 38.31985 
1 1 1  -31   27    8 o   95.918   16.901  3971.78  1268.20  5406.38  2762.67  3588.76  1427.50  107.472   30.334   90.142   20.024 17.33007 36.34702 
1 1 1  -31   27    9 o   73.900   19.449  2422.28  1182.91  3545.54  3100.06  2230.86  1279.74   90.218   32.762   71.083   20.830 19.13560 38.82330 
1 1 1  -31   27   10 o   44.675   17.543  546.355  929.903  740.284  2507.54  515.433  1001.30   65.267   27.562   45.388   18.083 19.87862 32.96466 
1 1 1  -31   27   11 f   60.275   19.046  1576.73  1043.27  1069.82  2657.33  1669.10  1134.35   68.063   28.538   62.011   19.889 6.052582 34.78513 
1 1 1  -31   27   12 o   81.115   8.6501  2744.18  560.932  1242.36  2832.68  2805.47  572.264   69.645   29.347   82.006   8.7285 -12.36041 30.61740 
1 1 1  -31   27   13 f  149.664   9.3725  9331.10  1133.22 12739.69  4002.38  9034.03  1181.57  155.773   32.686  147.013   9.9571 8.760071 34.16907 
1 1 1  -31   27   14 o   54.611   11.397  1300.54  489.026  5778.46  3226.57  1195.26  494.741  100.615   33.623   52.184   11.935 48.43100 35.67877 
1 1 1  -31   27   15 o   79.712   10.285  2715.77  650.125  2269.47  3639.45  2730.48  660.753   74.521   32.364   79.872   10.438 -5.351601 34.00561 
1 1 1  -31   27   16 o   20.520   9.7170 -472.8435  431.110  3697.38  3523.35 -536.2269  434.374   78.653   32.912   20.067   9.5736 58.58629 34.27637 
1 1 1  -31   27   17 o   65.664   20.958  2239.13  1260.80  1062.68  4178.86  2356.94  1322.43   64.783   30.548   66.994   21.473 -2.211456 37.34002 
1 1 1  -31   27   18 o   70.473   23.598  2968.28  1589.40  1321.15  4655.60  3185.58  1691.00   61.640   29.891   72.161   24.340 -10.52112 38.54774 
1 1 1  -31   27   19 o   60.522   23.389  2427.98  1632.30  2189.24  5052.54  2455.80  1724.79   57.682   28.592   60.335   23.829 -2.652752 37.21966 
1 1 1  -31   29    1 o  304.959   21.208 39713.77  5218.85   0.0000   0.0000 39713.77  5218.85  ?   ?   304.959   21.208 0.000000 21.20831 
1 1 1  -31   29    2 o  168.723   18.684 12123.36  2516.72   0.0000   0.0000 12123.36  2516.72  ?   ?   168.723   18.684 0.000000 18.68418 
1 1 1  -31   29    3 o  176.387   18.453 13243.74  2603.70   0.0000   0.0000 13243.74  2603.70  ?   ?   176.387   18.453 0.000000 18.45281 
1 1 1  -31   29    4 o   44.331   18.411  258.757  1090.85  3575.58  2967.51 -259.4612  1172.97   91.138   32.177   41.026   18.081 50.11234 36.90911 
1 1 1  -31   29    5 o  295.291   18.079 37018.75  4313.90 40789.53  8379.78 35659.11  5031.89  292.175   36.089  287.024   21.753 5.151001 42.13825 
1 1 1  -31   29    6 o   71.710   19.624  2272.92  1175.88  3217.18  3038.00  2106.53  1275.29   87.607   32.337   69.370   20.909 18.23763 38.50793 
1 1 1  -31   29    7 o  119.575   17.287  6177.15  1629.70  8105.83  3980.74  5788.81  1786.25  126.345   36.655  114.597   19.920 11.74796 41.71820 
1 1 1  -31   29    8 o  168.587   17.670 12260.62  2382.83 17656.37  4926.51 10612.84  2722.47  190.185   33.105  154.039   22.425 36.14601 39.98542 
1 1 1  -31   29    9 o   88.399   20.064  3531.68  1407.14  956.662  3726.80  3959.81  1519.62   75.399   32.748   93.504   20.574 -18.10503 38.67436 
1 1 1  -31   29   10 f   60.855   20.511  1586.70  1200.80 -4323.1479  3435.96  2408.93  1281.61   52.928   25.670   72.634   20.716 -19.70593 32.98645 
1 1 1  -31   29   11 o  146.899   17.796  9536.57  2079.32  9423.91  4645.72  9564.79  2325.22  125.309   40.256  145.458   20.236 -20.14896 45.05546 
1 1 1  -31   29   12 o   71.180   21.004  2375.31  1297.22  4349.69  3627.15  2085.73  1389.10   90.202   34.864   67.235   22.044 22.96632 41.24813 
1 1 1  -31   29   13 o   89.276   9.3757  3361.28  669.484 -1647.6520  3880.82  3514.92  679.674   61.681   29.193   91.341   9.2937 -29.65982 30.63677 
1 1 1  -31   29   14 o  172.952   11.893 12854.64  1660.02  8676.35  5489.04 13275.26  1741.57  102.639   41.821  175.433   12.304 -72.79408 43.59304 
1 1 1  -31   29   15 o   17.416   8.3687 -482.1826  345.072 -470.3550  4176.44 -482.2639  346.256   62.723   29.858   17.460   8.3878 45.26338 31.01396 
1 1 1  -31   29   16 o   50.644   20.620  1008.58  1333.09  2438.61  4731.15  885.255  1389.39   68.664   32.417   49.888   20.754 18.77585 38.49111 
1 1 1  -31   29   17 o   42.750   19.092  229.213  1352.14 -5892.4922  4966.50  719.282  1405.21   49.961   25.253   46.976   20.256 2.984169 32.37328 
1 1 1  -31   29   18 f   71.353   25.100  3683.37  1804.12  3929.08  5933.10  3658.33  1893.80   59.294   29.644   69.967   25.577 -10.67384 39.15244 
1 1 1  -31   31    1 o  212.679   20.884 19682.20  3559.87   0.0000   0.0000 19682.20  3559.87  ?   ?   212.679   20.884 0.000000 20.88376 
1 1 1  -31   31    2 o  201.001   20.104 17533.72  3237.07   0.0000   0.0000 17533.72  3237.07  ?   ?   201.001   20.104 0.000000 20.10388 
1 1 1  -31   31    3 o  121.870   22.358  6655.95  2130.89   0.0000   0.0000  6655.95  2130.89  ?   ?   121.870   22.358 0.000000 22.35791 
1 1 1  -31   31    4 o  235.817   20.868 24327.36  3954.40   0.0000   0.0000 24327.36  3954.40  ?   ?   235.817   20.868 0.000000 20.86768 
1 1 1  -31   31    5 o  257.985   19.138 28863.98  3980.43 32619.60  8399.54 27776.33  4520.21  244.814   43.866  250.056   22.504 -5.241714 49.30207 
1 1 1  -31   31    6 o  126.972   19.315  7122.62  1928.57  4253.16  4831.46  7666.48  2103.42   97.439   39.406  131.230   20.403 -33.79054 44.37463 
1 1 1  -31   31    7 o   44.353   18.111  407.482  1032.20  3718.33  3497.74   91.644  1080.31   89.798   34.357   41.896   17.906 47.90151 38.74331 
1 1 1  -31   31    8 o  138.130   19.904  8549.46  2167.93  3297.20  5437.93  9541.99  2363.91   92.003   39.758  145.597   20.569 -53.59375 44.76360 
1 1 1  -31   31    9 o  153.919   19.349 10619.47  2364.71 14118.58  5508.64  9829.01  2618.22  151.193   42.890  145.354   22.945 5.838882 48.64181 
1 1 1  -31   31   10 o   63.124   22.237  1750.41  1416.45  6626.51  4093.87  1087.31  1509.69  105.172   37.723   56.471   22.296 48.70120 43.81910 
1 1 1  -31   31   11 o  117.183   21.196  6481.56  1942.55  9628.82  5328.14  5999.09  2086.14  115.248   42.767  110.529   23.938 4.719635 49.01089 
1 1 1  -31   31   12 o   50.195   20.228  799.713  1268.28 -7656.1128  4650.84  1479.05  1318.24   53.021   26.468   58.181   21.328 -5.160637 33.99177 
1 1 1  -31   31   13 o  152.396   10.134  9881.08  1246.82 16767.34  6035.37  9574.09  1274.31  137.219   45.985  149.716   10.550 -12.49672 47.17952 
1 1 1  -31   31   14 o   69.188   23.325  2570.25  1552.87  4646.17  5240.38  2370.42  1625.90   78.108   35.933   66.682   23.788 11.42564 43.09327 
1 1 1  -31   31   15 o   85.836   24.290  4289.35  1769.09  6904.46  5686.26  4009.10  1861.47   77.587   36.283   81.316   25.404 -3.728912 44.29306 
1 1 1  -31   31   16 o   51.166   21.368  1247.97  1481.01  3119.01  5573.60  1105.83  1536.24   62.655   30.864   50.198   21.401 12.45729 37.55801 
1 1 1  -31   31   17 o  104.991   27.264  8043.10  2344.90  6715.42  7342.07  8193.91  2474.50   59.296   30.055  102.727   28.608 -43.43068 41.49340 
1 1 1  -31   33    1 o  130.135   25.919  7956.14  2642.53   0.0000   0.0000  7956.14  2642.53  ?   ?   130.135   25.919 0.000000 25.91917 
1 1 1  -31   33    2 o  234.780   23.581 25015.97  4434.61   0.0000   0.0000 25015.97  4434.61  ?   ?   234.780   23.581 0.000000 23.58120 
1 1 1  -31   33    3 o  253.464   23.524 29217.50  4786.24   0.0000   0.0000 29217.50  4786.24  ?   ?   253.464   23.524 0.000000 23.52441 
1 1 1  -31   33    4 o  183.270   21.924 15192.84  3197.72   0.0000   0.0000 15192.84  3197.72  ?   ?   183.270   21.924 0.000000 21.92392 
1 1 1  -31   33    5 o  167.418   24.007 13031.00  3170.04   0.0000   0.0000 13031.00  3170.04  ?   ?   167.418   24.007 0.000000 24.00683 
1 1 1  -31   33    6 o  144.607   21.631  9596.09  2461.80 14820.89  6745.84  8793.35  2644.17  144.707   48.616  135.892   24.881 8.815552 54.61251 
1 1 1  -31   33    7 o  222.919   20.488 22557.22  3666.92 29688.48  8981.63 21130.79  4016.95  198.027   54.255  212.006   23.743 -13.97891 59.22227 
1 1 1  -31   33    8 f   69.969   24.094  2292.71  1658.09  6046.17  6275.13  2010.98  1719.19   98.027   42.535   67.038   24.390 30.98900 49.03128 
1 1 1  -31   33    9 o   69.481   24.103  2305.88  1660.85  5363.93  6134.78  2064.02  1725.28   92.680   41.071   66.977   24.423 25.70323 47.78431 
1 1 1  -31   33   10 o   76.632   24.767  3008.58  1756.48  6287.54  6253.89  2727.77  1830.15   92.348   41.165   73.331   25.309 19.01659 48.32299 
1 1 1  -31   33   11 o  150.910   23.471 11492.91  2782.51 10096.79  7645.27 11706.07  2987.39   96.306   43.966  149.836   25.466 -53.52997 50.80865 
1 1 1  -31   33   12 o   48.242   20.808  494.515  1483.94  3392.32  6348.98  327.063  1526.21   75.822   36.291   47.403   20.765 28.41984 41.81120 
1 1 1  -31   33   13 o   61.237   23.647  1988.83  1667.56  4957.14  6894.81  1804.42  1718.58   73.696   35.883   59.557   23.702 14.13948 43.00446 
1 1 1  -31   33   14 o   44.737   20.043  302.001  1502.69  8488.54  7008.67 -92.4591  1538.46   73.021   35.690   42.591   19.547 30.43016 40.69212 
1 1 1  -31   33   15 o   42.782   19.537  221.499  1511.34  1020.16  7323.73  185.975  1544.58   57.530   29.247   42.839   19.634 14.69098 35.22612 
1 1 1  -31   35    1 o  158.122   27.258 12275.05  3373.22   0.0000   0.0000 12275.05  3373.22  ?   ?   158.122   27.258 0.000000 27.25755 
1 1 1  -31   35    2 f  144.561   27.649 10384.62  3127.11   0.0000   0.0000 10384.62  3127.11  ?   ?   144.561   27.649 0.000000 27.64878 
1 1 1  -31   35    3 o   59.401   24.599  984.610  1939.28   0.0000   0.0000  984.610  1939.28  ?   ?    59.401   24.599 0.000000 24.59904 
1 1 1  -31   35    4 o  118.420   27.182  7097.99  2558.33   0.0000   0.0000  7097.99  2558.33  ?   ?   118.420   27.182 0.000000 27.18205 
1 1 1  -31   35    5 o   96.404   28.424  4905.07  2376.56   0.0000   0.0000  4905.07  2376.56  ?   ?    96.404   28.424 0.000000 28.42420 
1 1 1  -31   35    6 o   57.019   24.250  769.068  1963.74 23628.83  7578.85 -876.1172  2033.18  169.975   50.914   47.928   22.167 122.0476 55.53055 
1 1 1  -31   35    7 o   60.868   24.430  1441.43  1841.68  1556.90  7433.07  1433.88  1900.96   81.410   39.044   61.169   24.725 20.24081 46.21454 
1 1 1  -31   35    8 o  113.137   26.928  6883.16  2437.94  924.541  8320.92  7442.70  2549.84   79.100   38.709  117.461   27.261 -38.36126 47.34460 
1 1 1  -31   35    9 o  126.471   26.540  8686.79  2638.46  9715.57  8673.08  8581.88  2769.74   90.417   43.037  123.449   28.244 -33.03191 51.47769 
1 1 1  -31   35   10 o  102.006   28.933  6343.28  2506.93  4486.10  9097.75  6495.88  2607.89   77.009   38.205  102.156   29.678 -25.14693 48.37788 
1 1 1  -31   35   11 o   62.528   25.080  2130.36  1939.66 -3772.8201  8646.86  2443.14  1990.39   64.060   32.485   65.207   25.647 -1.146584 41.38884 
1 1 1  -31   35   12 o   64.703   25.575  2652.45  1988.35  8011.59  9103.47  2383.98  2037.55   69.968   35.219   62.390   25.457 7.578564 43.45633 
1 1 1  -31   35   13 o   50.839   22.313  1175.20  1769.89 -6287.2959  9328.98  1453.83  1802.62   55.349   28.458   52.866   22.868 2.482849 36.50796 
1 1 1  -31   37    1 o  192.591   30.824 20353.43  4657.56   0.0000   0.0000 20353.43  4657.56  ?   ?   192.591   30.824 0.000000 30.82366 
1 1 1  -31   37    2 o   78.528   29.674  3336.58  2588.98   0.0000   0.0000  3336.58  2588.98  ?   ?    78.528   29.674 0.000000 29.67424 
1 1 1  -31   37    3 o   73.922   28.973  2822.31  2532.01   0.0000   0.0000  2822.31  2532.01  ?   ?    73.922   28.973 0.000000 28.97278 
1 1 1  -31   37    4 o  119.824   32.474  8688.21  3238.39   0.0000   0.0000  8688.21  3238.39  ?   ?   119.824   32.474 0.000000 32.47414 
1 1 1  -31   37    5 o   81.228   29.726  3913.23  2559.14   0.0000   0.0000  3913.23  2559.14  ?   ?    81.228   29.726 0.000000 29.72599 
1 1 1  -31   37    6 f  101.471   31.726  6617.84  2902.46   0.0000   0.0000  6617.84  2902.46  ?   ?   101.471   31.726 0.000000 31.72567 
1 1 1  -31   37    7 o  127.887   31.151 10242.28  3204.74 23191.39 11802.44  9211.55  3329.84   95.558   46.620  116.317   33.461 -20.75945 57.38491 
1 1 1  -31   37    8 o   51.839   22.936  657.722  1905.86  4697.33 11491.05  543.456  1932.63   73.092   37.105   51.320   22.879 21.77252 43.59203 
1 1 1  -31   37    9 o   74.313   28.530  3873.57  2416.99  6229.11 11157.72  3757.60  2475.77   69.998   35.635   73.050   28.644 -3.052124 45.72036 
1 1 1  -31   37   10 o   73.553   28.344  4110.84  2391.88 13655.67 12910.86  3771.60  2434.01   68.351   35.068   70.564   28.168 -2.213402 44.98011 
1 1 1  -31   37   11 o   37.316   18.216 -1614.4340  1809.55 -16756.9707 11868.81 -1254.0730  1830.95   53.144   27.529   38.786   18.794 14.35784 33.33250 
1 1 1  -31   39    1 o   88.674   35.034  6431.01  3729.67   0.0000   0.0000  6431.01  3729.67  ?   ?    88.674   35.034 0.000000 35.03403 
1 1 1  -31   39    2 o   72.681   31.052  3514.75  3246.74   0.0000   0.0000  3514.75  3246.74  ?   ?    72.681   31.052 0.000000 31.05240 
1 1 1  -31   39    3 o   58.931   27.219  836.278  3050.09   0.0000   0.0000  836.278  3050.09  ?   ?    58.931   27.219 0.000000 27.21911 
1 1 1  -31   39    4 o   52.259   24.210  148.572  2439.70   0.0000   0.0000  148.572  2439.70  ?   ?    52.259   24.210 0.000000 24.20982 
1 1 1  -31   39    5 o   92.409   34.290  7433.78  3425.00   0.0000   0.0000  7433.78  3425.00  ?   ?    92.409   34.290 0.000000 34.28957 
1 1 1  -31   39    6 o   83.828   32.850  6333.54  3254.60   0.0000   0.0000  6333.54  3254.60  ?   ?    83.828   32.850 0.000000 32.84978 
1 1 1  -31   39    7 o   54.379   25.034  1163.93  2549.81   0.0000   0.0000  1163.93  2549.81  ?   ?    54.379   25.034 0.000000 25.03424 
1 1 1  -30    0    3 o  282.130   20.536 32869.57  4647.08 32869.57  4647.08   0.0000   0.0000  282.130   20.536  282.130   20.536 0.000000 0.000000 
1 1 1  -30    0    4 o  302.650   21.966 37826.43  5332.52 37826.43  5332.52   0.0000   0.0000  302.650   21.966  302.650   21.966 0.000000 0.000000 
1 1 1  -30    0    5 o  310.646   22.632 39856.93  5638.83 39856.93  5638.83   0.0000   0.0000  310.646   22.632  310.646   22.632 0.000000 0.000000 
1 1 1  -30    0    6 o  875.934   42.978 315432.09 30399.63 289844.31 43038.07 340909.69 42945.22  832.556   64.558  906.099   58.944 0.000000 0.000000 
1 1 1  -30    0    7 o  299.241   15.686 36680.56  3787.41 30525.22  5403.46 42625.22  5310.18  270.511   25.097  321.871   20.509 0.000000 0.000000 
1 1 1  -30    0    8 o  147.181   8.7960  8890.89  1042.58 11631.65  1533.36  6534.45  1421.80  168.085   11.354  124.313   14.615 0.000000 0.000000 
1 1 1  -30    0    9 o  619.250   29.195 157375.20 14605.27 181294.41 20706.96 133694.59 20603.37  662.423   38.803  565.608   45.542 0.000000 0.000000 
1 1 1  -30    0   10 o  491.096   23.319 98946.20  9250.91 116336.50 13138.61 81848.47 13027.62  530.929   30.712  442.428   36.853 0.000000 0.000000 
1 1 1  -30    0   11 o  426.514   21.321 74715.69  7341.68 72496.55 10439.44 76887.21 10326.89  417.281   31.213  430.362   29.884 0.000000 0.000000 
1 1 1  -30    0   12 o  336.100   17.282 46368.86  4687.86 43988.05  6691.31 48663.86  6569.63  325.039   25.724  342.731   23.874 0.000000 0.000000 
1 1 1  -30    0   13 o  139.640   9.6059  8036.93  1077.31  7023.85  1609.73  8858.81  1449.88  128.405   16.130  146.019   12.436 0.000000 0.000000 
1 1 1  -30    0   14 o  175.222   10.548 12618.92  1488.32 13457.04  2201.88 11913.86  2019.54  179.844   15.335  169.090   14.980 0.000000 0.000000 
1 1 1  -30    0   15 o  146.447   10.014  8842.56  1178.02  6527.23  1755.98 10737.35  1588.53  122.276   19.068  161.038   12.314 0.000000 0.000000 
1 1 1  -30    0   16 o  183.057   11.227 13789.61  1654.35 12080.04  2437.51 15249.68  2252.63  169.089   18.297  191.764   14.664 0.000000 0.000000 
1 1 1  -30    0   17 o   25.162   14.288  336.006  452.928 -1212.8090  855.164  939.870  533.973   18.412   13.109   40.685   16.502 0.000000 0.000000 
1 1 1  -30    0   18 o  361.755   18.799 54169.28  5487.90 52587.22  7876.61 55661.79  7650.45  352.287   27.941  363.494   26.235 0.000000 0.000000 
1 1 1  -30    0   19 f  310.703   16.003 39984.43  4012.78 45430.91  5860.02 35175.57  5506.33  328.487   22.203  287.578   23.964 0.000000 0.000000 
1 1 1  -30    0   20 o  119.180   10.899  5952.88  1034.43  6385.33  2082.08  5811.15  1191.94  116.429   25.102  116.947   12.959 0.000000 0.000000 
1 1 1  -30    0   21 o   98.920   11.566  4173.71  895.779  4514.31  1749.11  4052.62  1042.93   94.273   26.404   96.198   14.277 0.000000 0.000000 
1 1 1  -30    0   22 o  127.949   11.331  6886.56  1155.96  7788.77  2122.30  6506.00  1378.36  130.824   21.799  122.973   14.310 0.000000 0.000000 
1 1 1  -30    0   23 o   11.302   8.2526 -1088.5480  458.868 -4600.0928  1922.89 -876.5009  472.520   22.645   16.574   12.514   9.0374 0.000000 0.000000 
1 1 1  -30    0   24 o   65.444   15.701  2066.59  723.660  336.465  2267.85  2262.72  763.578   42.222   27.466   68.913   15.654 0.000000 0.000000 
1 1 1  -30    0   25 o   12.431   8.9792 -857.1803  467.545   0.0000   0.0000 -857.1803  467.545   12.431   8.9792   12.431   8.9792 0.000000 0.000000 
1 1 1  -30    0   26 o   26.913   15.841  402.363  588.490   0.0000   0.0000  402.363  588.490   26.913   15.841   26.913   15.841 0.000000 0.000000 
1 1 1  -30    2    1 f  1478.70  107.591 959439.88 128293.70   0.0000   0.0000 959439.88 128293.70  ?   ?   1478.70  107.591 0.000000 107.5908 
1 1 1  -30    2    2 o  539.580   37.288 119848.40 16236.53 119848.40 16236.53   0.0000   0.0000  539.580   37.288  ?   ?  0.000000 37.28823 
1 1 1  -30    2    3 o  653.304   45.158 176418.30 23807.39 176418.30 23807.39   0.0000   0.0000  653.304   45.158  ?   ?  0.000000 45.15771 
1 1 1  -30    2    4 o  704.586   33.461 203005.20 19142.85 211823.30 27119.68 194248.70 27024.73  715.782   46.922  684.771   48.927 31.01074 67.79008 
1 1 1  -30    2    5 o  339.999   14.023 46990.17  3871.28 37449.08  6758.33 51649.62  4722.89  301.699   27.904  356.378   16.321 -54.67917 32.32722 
1 1 1  -30    2    6 o  386.719   15.346 60808.39  4818.79 67178.20  8396.59 57680.10  5884.28  405.113   25.659  375.978   19.340 29.13531 32.13142 
1 1 1  -30    2    7 o  1157.04   55.616 555434.62 52250.18 571155.12 73933.02 539748.19 73852.89  1158.33   79.080  1124.33   81.449 34.00134 113.5241 
1 1 1  -30    2    8 o  700.170   26.975 200273.50 15335.63 184986.59 26507.77 207964.09 18801.54  666.370   49.342  712.488   32.500 -46.11780 59.08348 
1 1 1  -30    2    9 o  247.243   8.9850 24841.40  1803.77 24924.64  2547.02 24757.65  2554.82  247.210   12.732  246.370   12.815 0.8391724 18.06510 
1 1 1  -30    2   10 o  128.405   5.8759  6697.81  612.623  6719.74  858.021  6675.00  874.987  128.312   8.2798  127.865   8.4758 0.4462204 11.84877 
1 1 1  -30    2   11 o  178.391   8.5026 12941.32  1231.59 12810.97  2186.51 13001.89  1490.53  176.495   15.412  178.441   10.332 -1.946060 18.55456 
1 1 1  -30    2   12 o  462.011   18.477 87453.06  6931.41 88641.27  8474.96 85052.48 12046.20  464.126   22.489  449.982   33.204 14.14423 40.10328 
1 1 1  -30    2   13 o  523.567   18.012 112414.80  7657.41 113684.70 10818.60 111139.80 10839.85  523.918   25.431  517.880   25.778 6.038025 36.21161 
1 1 1  -30    2   14 o  452.041   15.766 83718.44  5786.66 82176.23  8170.69 85270.41  8196.51  445.161   22.680  454.183   22.226 -9.021759 31.75499 
1 1 1  -30    2   15 o   55.729   7.4481  1286.27  328.595  1140.05  437.745  1475.03  497.347   51.913   10.739   59.224   10.738 -7.310848 15.18670 
1 1 1  -30    2   16 o   91.998   6.3008  3459.43  467.829  3236.26  639.710  3716.00  685.924   88.640   9.0137   95.048   8.9948 -6.408684 12.73389 
1 1 1  -30    2   17 o   95.843   6.6364  3758.20  513.278  3441.02  693.796  4141.68  762.882   91.302   9.4977  100.259   9.4839 -8.957436 13.42199 
1 1 1  -30    2   18 o  120.835   7.1193  5977.40  695.422  4915.58  946.059  7225.56  1025.71  108.895   10.844  132.478   9.6007 -23.58300 14.48324 
1 1 1  -30    2   19 o   57.179   8.4177  1368.90  379.119  1165.05  486.730  1683.36  604.525   52.042   11.792   62.669   12.319 -10.62729 17.05309 
1 1 1  -30    2   20 o   98.341   7.1487  3986.93  566.914  3814.23  778.317  4182.11  827.408   95.424   10.203   99.922   10.348 -4.498940 14.53246 
1 1 1  -30    2   21 o   28.872   10.535  288.291  321.116  324.239  469.388  256.666  440.263   32.793   12.577   30.896   12.089 1.896866 17.44468 
1 1 1  -30    2   22 o   53.463   10.504  1241.39  439.736  1282.57  565.887  1178.61  698.649   53.657   13.102   51.342   15.477 2.314949 20.27785 
1 1 1  -30    2   23 o  104.132   8.1521  4556.98  683.774  4529.67  932.463  4588.76  1005.69  102.184   11.435  102.322   12.355 -0.1376572 16.83427 
1 1 1  -30    2   24 o   97.294   11.846  4208.60  916.533  3402.02  1319.17  4961.28  1274.34   80.913   20.154  102.491   15.822 -21.57887 25.62324 
1 1 1  -30    2   25 o   66.638   10.484  2002.06  548.504  2384.20  712.529  1446.23  859.339   71.215   12.793   52.553   17.343 18.66207 21.55085 
1 1 1  -30    2   26 o   25.513   10.882  103.722  397.586  423.042  498.474 -454.6385  659.153   32.584   12.829   25.533   12.068 7.050848 17.61314 
1 1 1  -30    4    1 o  683.697   30.447 190887.70 16902.58 154904.80 23749.68 227820.30 24061.09  611.396   48.232  744.309   39.959 -132.9131 62.63449 
1 1 1  -30    4    2 o  843.872   58.525 296773.69 39853.04 296773.69 39853.04   0.0000   0.0000  843.872   58.525  ?   ?  0.000000 58.52463 
1 1 1  -30    4    4 o  229.488   12.294 21462.60  2282.46 19681.42  3267.79 23159.36  3189.42  219.163   18.537  238.058   16.604 -18.89542 24.88616 
1 1 1  -30    4    5 o  1188.89   57.818 585993.12 55814.52 567429.19 78995.27 604499.19 78872.17  1153.47   84.942  1192.68   81.941 -39.21216 118.0236 
1 1 1  -30    4    6 o  796.636   38.447 260173.20 24869.24 241473.91 35189.79 278831.31 35151.08  760.948   57.376  819.488   53.113 -58.53986 78.18576 
1 1 1  -30    4    7 o  750.380   29.772 230108.30 18139.57 205702.50 31460.62 242262.41 22201.55  701.696   55.675  768.865   35.563 -67.16925 66.06389 
1 1 1  -30    4    8 o  376.282   18.786 57672.01  5739.78   0.0000   0.0000 57672.01  5739.78  ?   ?   376.282   18.786 0.000000 18.78640 
1 1 1  -30    4    9 o  285.293   11.949 33106.39  2767.98 33739.24  4831.35 32797.16  3377.19  286.702   20.898  283.440   14.725 3.262329 25.56446 
1 1 1  -30    4   10 o  634.259   21.529 164733.50 11087.53 178314.30 15668.51 151112.30 15691.78  657.471   29.350  603.497   32.139 53.97339 43.52388 
1 1 1  -30    4   11 o  565.290   22.229 131269.00 10202.86 152203.30 17708.64 120866.90 12482.96  601.810   36.411  539.660   28.590 62.14960 46.29427 
1 1 1  -30    4   12 o   50.627   7.7609  1066.35  308.855  1518.18  348.970 -566.9600  663.493   60.681   7.2247   27.281   12.634 33.40010 14.55348 
1 1 1  -30    4   13 o  220.079   17.772 19987.60  3148.72 16143.02  5363.57 22009.33  3889.48  192.818   35.569  230.294   21.033 -37.47589 41.32212 
1 1 1  -30    4   14 o  258.677   9.7569 27263.69  2049.31 26905.66  2882.76 27629.48  2913.82  256.129   13.914  259.569   13.875 -3.439972 19.64997 
1 1 1  -30    4   15 o  190.073   7.9554 14709.28  1227.79 14925.96  1713.41 14480.60  1760.25  190.892   11.102  187.938   11.592 2.954254 16.05077 
1 1 1  -30    4   16 o  188.859   7.7617 14528.20  1190.24 15149.15  1662.70 13875.58  1704.58  192.279   10.692  183.862   11.475 8.416473 15.68447 
1 1 1  -30    4   17 o   29.982   9.9951  346.797  285.152  615.596  348.751 -195.3307  495.283   38.270   10.769   26.003   11.588 12.26640 15.81975 
1 1 1  -30    4   18 o  176.936   8.0383 12794.40  1154.83 11543.99  1561.92 14302.25  1715.18  167.092   11.584  186.116   11.405 -19.02411 16.25590 
1 1 1  -30    4   19 o  118.497   7.2439  5767.47  693.636  5677.69  946.051  5871.83  1020.02  116.942   10.061  118.771   10.691 -1.829170 14.68121 
1 1 1  -30    4   20 o   65.042   8.4671  1770.93  436.564  1861.09  587.701  1659.93  652.097   65.958   11.385   61.693   13.401 4.265388 17.58447 
1 1 1  -30    4   21 o  107.110   7.9138  4760.71  683.384  5215.49  954.450  4282.32  978.917  111.172   10.706  100.022   12.314 11.15019 16.31682 
1 1 1  -30    4   22 o   77.632   8.5301  2536.21  528.831  2932.90  679.034  1924.73  843.064   82.914   10.309   64.804   16.095 18.10976 19.11322 
1 1 1  -30    4   23 o   68.846   9.6910  2040.07  526.739  2074.20  634.806  1964.61  943.783   68.526   11.837   64.017   17.607 4.508560 21.21605 
1 1 1  -30    4   24 o   90.659   8.8812  3526.39  645.369  3190.87  797.023  4165.25  1099.79   84.412   11.963   94.425   14.834 -10.01248 19.05669 
1 1 1  -30    4   25 o   31.332   11.704  382.017  400.342  368.473  470.214  417.705  763.268   32.111   12.513   36.932   15.375 -4.820549 19.82317 
1 1 1  -30    4   26 o   29.721   13.551 -80.2088  723.364   0.0000   0.0000 -80.2088  723.364  ?   ?    29.721   13.551 0.000000 13.55097 
1 1 1  -30    6    1 o  603.677   42.452 150256.00 20676.27   0.0000   0.0000 150256.00 20676.27  ?   ?   603.677   42.452 0.000000 42.45237 
1 1 1  -30    6    2 o  468.713   22.203 89457.56  8450.07 103387.60 11988.10 75702.27 11912.68  502.460   29.514  428.918   34.497 73.54160 45.39948 
1 1 1  -30    6    3 o  858.502   41.255 302329.59 28757.73 279436.31 40676.84 325206.50 40662.32  818.023   61.695  884.577   56.915 -66.55408 83.93845 
1 1 1  -30    6    4 o  427.680   21.005 74461.73  7294.22 59109.87 10320.35 89785.26 10310.82  378.739   33.919  468.414   27.227 -89.67490 43.49488 
1 1 1  -30    6    5 o  893.789   42.982 328190.31 31192.96 305796.09 44120.73 350569.81 44106.29  854.433   64.062  917.013   59.559 -62.58026 87.47091 
1 1 1  -30    6    6 o  377.659   15.718 58004.80  4819.75 50813.64  8392.99 61543.08  5887.26  351.461   29.688  388.869   18.645 -37.40823 35.05767 
1 1 1  -30    6    7 o  622.322   24.953 158049.59 12608.63 135422.59 21882.61 169295.30 15426.94  570.277   47.696  643.416   29.529 -73.13849 56.09689 
1 1 1  -30    6    8 o  607.740   29.959 151446.20 14783.94   0.0000   0.0000 151446.20 14783.94  ?   ?   607.740   29.959 0.000000 29.95946 
1 1 1  -30    6    9 f  277.366   11.487 31297.01  2586.99 39325.49  4529.60 27410.48  3151.55  309.926   18.078  258.950   15.054 50.97568 23.52524 
1 1 1  -30    6   10 o  290.276   12.101 34313.22  2852.07 39921.95  4984.33 31582.81  3477.67  311.691   19.797  277.792   15.480 33.89920 25.13054 
1 1 1  -30    6   11 o  295.778   12.410 35654.45  2980.39 37897.89  5201.40 34557.81  3636.59  303.094   21.270  290.479   15.474 12.61569 26.30319 
1 1 1  -30    6   12 o  123.724   7.4957  6247.46  749.466  6677.84  907.643  5325.19  1328.68  127.809   8.7998  113.229   14.807 14.57996 17.22413 
1 1 1  -30    6   13 o  283.943   10.431 32850.97  2404.94 33600.51  3386.60 32088.46  3415.78  286.299   14.617  279.676   15.098 6.623291 21.01410 
1 1 1  -30    6   14 o  321.777   11.842 42268.89  3093.99 41943.07  4360.24 42599.32  4391.05  319.195   16.884  321.693   16.870 -2.498077 23.86705 
1 1 1  -30    6   15 o  255.536   9.6304 26626.49  1998.18 27257.49  2810.50 25981.51  2841.46  257.665   13.480  251.439   13.973 6.225418 19.41553 
1 1 1  -30    6   16 o  193.150   8.3247 15206.18  1305.57 15862.90  1815.83 14503.36  1878.49  196.609   11.424  187.785   12.390 8.824173 16.85242 
1 1 1  -30    6   17 o   86.729   6.6937  3082.21  467.728  3075.42  616.612  3091.41  717.794   86.323   8.9262   86.289   10.458 0.3356171E-01 13.74979 
1 1 1  -30    6   18 o  363.864   12.652 54721.76  3738.00 51118.84  5261.56 58393.34  5311.46  347.599   18.711  372.832   17.545 -25.23349 25.65043 
1 1 1  -30    6   19 o  174.149   7.8177 12436.31  1105.45 13150.22  1543.25 11683.98  1584.24  177.994   10.728  167.380   11.731 10.61438 15.89683 
1 1 1  -30    6   20 o  204.591   8.5940 17267.20  1427.64 16438.23  2004.24 18121.01  2034.06  197.490   12.564  207.650   12.117 -10.15936 17.45479 
1 1 1  -30    6   21 o   37.244   12.020  575.027  413.851  710.224  503.166  292.307  727.619   41.139   13.252   37.329   15.220 3.809570 20.18049 
1 1 1  -30    6   22 f   34.780   11.591  494.963  383.471  113.843  447.053  1556.27  746.015   28.368   11.784   58.365   15.486 -29.99691 19.46000 
1 1 1  -30    6   23 o   85.809   8.1858  3109.73  563.419  5185.45  670.815 -1861.3300  1038.11  111.317   7.4649   27.316   13.430 84.00099 15.36499 
1 1 1  -30    6   24 o   62.216   9.9338  1704.39  484.949  1481.19  564.467  2333.42  947.606   56.648   12.598   68.433   17.102 -11.78548 21.24087 
1 1 1  -30    6   25 o   59.377   10.704  1614.53  497.098  1215.26  580.728  2709.10  961.525   49.581   13.877   71.987   16.763 -22.40587 21.76162 
1 1 1  -30    6   26 o   21.591   10.699 -1273.2120  705.375   0.0000   0.0000 -1273.2120  705.375  ?   ?    21.591   10.699 0.000000 10.69883 
1 1 1  -30    8    1 o  596.453   42.016 146624.70 20218.47   0.0000   0.0000 146624.70 20218.47  ?   ?   596.453   42.016 0.000000 42.01634 
1 1 1  -30    8    2 o  194.076   11.431 15356.63  1793.33 12984.83  2607.35 17485.96  2470.49  177.722   18.332  206.871   14.806 -29.14912 23.56385 
1 1 1  -30    8    3 o  1403.36  100.637 853003.81 113912.70 853003.81 113912.70   0.0000   0.0000  1403.36  100.637  ?   ?  0.000000 100.6368 
1 1 1  -30    8    4 o  1210.59   58.957 608396.50 57951.95 549268.88 81978.79 667459.62 81934.09  1130.78   90.032  1253.57   80.929 -122.7848 121.0590 
1 1 1  -30    8    5 o  108.171   7.9836  4778.44  696.255  4870.38  993.634  4689.75  975.912  108.884   11.408  106.821   11.429 2.063194 16.14839 
1 1 1  -30    8    6 o  555.374   26.981 125968.10 12166.90 117005.90 17215.41 134912.09 17197.81  531.891   40.158  572.055   37.228 -40.16327 54.75913 
1 1 1  -30    8    7 o  563.909   23.967 129873.00 10973.87 88880.55 19062.36 150192.41 13420.86  458.760   52.098  605.887   27.280 -147.1273 58.80865 
1 1 1  -30    8    8 o  344.268   16.539 48303.29  4623.28   0.0000   0.0000 48303.29  4623.28  ?   ?   344.268   16.539 0.000000 16.53921 
1 1 1  -30    8    9 o  287.982   11.839 33758.53  2768.38 39788.87  4859.12 30860.46  3368.53  311.380   19.314  274.699   15.161 36.68134 24.55395 
1 1 1  -30    8   10 o  495.629   20.012 100663.50  8053.36 105220.10 14006.45 98413.14  9843.13  501.011   34.643  488.208   24.914 12.80371 42.67129 
1 1 1  -30    8   11 o  179.447   8.4863 13098.12  1236.49 18208.46  2223.13 10809.13  1487.86  210.904   13.046  162.500   11.348 48.40355 17.29074 
1 1 1  -30    8   12 o  226.367   10.220 20869.81  1878.53 19694.86  3316.80 21424.70  2279.36  218.275   18.901  228.867   12.311 -10.59117 22.55672 
1 1 1  -30    8   13 o  271.676   11.757 30112.41  2593.55 29148.70  4560.17 30573.18  3153.19  264.984   21.376  273.066   14.271 -8.082306 25.70238 
1 1 1  -30    8   14 o  423.197   17.314 73628.15  5949.50 72490.16 10381.33 74184.70  7260.03  413.152   31.176  423.509   21.112 -10.35739 37.65174 
1 1 1  -30    8   15 o  529.590   18.450 115812.70  7933.65 111981.20 11202.18 119668.50 11237.64  515.301   26.866  533.979   25.919 -18.67767 37.33073 
1 1 1  -30    8   16 o  134.325   7.0475  7367.85  765.974  8606.22  1057.70  6002.17  1110.74  144.954   9.0315  120.565   11.485 24.38879 14.61080 
1 1 1  -30    8   17 o  154.424   7.1251  9723.19  893.404  9552.21  1229.90  9914.21  1299.94  152.427   9.9927  155.225   10.374 -2.798004 14.40366 
1 1 1  -30    8   18 o  192.023   8.2084 15098.28  1279.83 14327.17  1774.21 15934.82  1847.94  185.854   11.818  196.096   11.658 -10.24205 16.60095 
1 1 1  -30    8   19 o   90.745   7.3767  3397.32  538.825  3006.47  692.127  3998.64  858.497   84.672   10.278   97.607   11.026 -12.93449 15.07300 
1 1 1  -30    8   20 o  222.601   9.3363 20525.89  1687.48 20806.09  2370.04 20237.79  2403.24  221.554   13.235  218.220   13.632 3.334213 18.99965 
1 1 1  -30    8   21 o  195.080   9.2123 15842.91  1459.22 16205.45  2039.92 15463.00  2088.22  194.569   12.987  189.526   13.661 5.043213 18.84906 
1 1 1  -30    8   22 o  102.224   7.9093  4368.70  651.379  4006.53  813.512  5015.69  1087.33   96.801   10.519  107.237   12.737 -10.43626 16.51910 
1 1 1  -30    8   23 o   56.500   9.7456  1391.23  430.940  1555.31  496.916  893.477  865.498   59.432   10.690   46.328   17.228 13.10321 20.27531 
1 1 1  -30    8   24 o   79.948   9.1584  2774.65  583.799  2650.69  683.844  3107.77  1121.04   76.878   11.292   78.015   18.055 -1.137062 21.29496 
1 1 1  -30    8   25 o   34.588   11.480  544.697  376.323  483.990  413.757  835.377  905.388   33.428   11.992   42.719   17.135 -9.291138 20.91437 
1 1 1  -30   10    1 o  735.005   36.384 221189.41 21713.94   0.0000   0.0000 221189.41 21713.94  ?   ?   735.005   36.384 0.000000 36.38397 
1 1 1  -30   10    2 o  612.558   23.679 152900.50 11777.47 156929.70 20448.38 150900.50 14407.09  616.979   41.052  607.956   29.185 9.023132 50.36934 
1 1 1  -30   10    3 o  769.504   36.880 242678.41 23043.15 247455.70 32699.04 237965.50 32477.95  771.651   52.501  756.406   53.220 15.24493 74.75733 
1 1 1  -30   10    4 o  799.012   39.442 262275.09 25588.79 233961.59 36259.94 290364.91 36116.50  746.571   60.332  834.981   53.553 -88.40979 80.67129 
1 1 1  -30   10    5 o  300.081   15.827 36740.16  3842.71 31827.88  5485.72 41472.88  5384.52  278.195   24.537  318.320   20.950 -40.12512 32.26371 
1 1 1  -30   10    6 o  430.966   21.682 75981.23  7562.86 68079.49 10738.20 83758.53 10653.31  405.819   32.871  451.184   29.237 -45.36511 43.99193 
1 1 1  -30   10    7 o  342.133   17.289 47843.68  4787.46 50767.97  6813.23 44991.63  6728.54  351.392   24.023  330.470   25.267 20.92160 34.86470 
1 1 1  -30   10    8 o  190.467   10.852 14807.28  1671.38   0.0000   0.0000 14807.28  1671.38  ?   ?   190.467   10.852 0.000000 10.85223 
1 1 1  -30   10    9 o  619.646   24.787 158021.70 12471.22 166702.20 21698.20 153739.50 15239.97  626.748   42.895  608.154   30.965 18.59448 52.90417 
1 1 1  -30   10   10 o  253.802   10.425 26223.62  2148.34 35645.94  3821.54 21870.00  2597.68  294.930   16.018  231.120   13.907 63.80981 21.21296 
1 1 1  -30   10   11 o  250.464   11.303 25561.57  2298.67 19973.62  4062.96 28192.24  2787.72  218.951   23.208  262.875   13.061 -43.92432 26.63018 
1 1 1  -30   10   12 o  295.823   12.490 35711.27  3000.15 35037.54  5279.09 36032.66  3646.19  290.509   22.557  296.405   15.201 -5.896240 27.20096 
1 1 1  -30   10   13 o  358.517   15.093 52642.21  4393.56 47074.55  7700.85 55329.11  5349.67  334.145   28.661  366.888   17.958 -32.74329 33.82205 
1 1 1  -30   10   14 o   58.120   9.9118  1415.68  450.970  569.917  917.671  1684.96  517.810   45.609   17.562   63.449   10.412 -17.83982 20.41664 
1 1 1  -30   10   15 o  161.061   8.9185 10609.08  1161.78  8397.25  2144.82 11527.51  1382.10  141.191   19.207  167.726   10.197 -26.53542 21.74618 
1 1 1  -30   10   16 o  259.392   11.662 27575.88  2456.13 26736.01  4391.21 27958.25  2962.95  251.674   21.701  260.263   14.073 -8.588165 25.86452 
1 1 1  -30   10   17 o   23.013   10.505 -285.1088  436.427 -621.7740  884.505 -176.7691  501.759   32.223   14.801   26.370   11.713 5.853580 18.87505 
1 1 1  -30   10   18 o  148.197   9.6595  9075.00  1155.98  7714.28  2460.00  9460.62  1309.58  130.811   24.047  151.017   10.750 -20.20534 26.34035 
1 1 1  -30   10   19 o  183.415   8.0105 13830.43  1192.98 13818.78  1661.08 13842.83  1714.46  181.894   11.303  181.885   11.670 0.8636475E-02 16.24666 
1 1 1  -30   10   20 o  185.592   8.6123 14246.68  1297.82 15826.29  1803.92 12551.77  1868.59  193.906   11.509  171.440   13.534 22.46590 17.76550 
1 1 1  -30   10   21 o   30.534   11.298  318.791  371.336  349.876  417.409  200.840  813.091   32.117   11.960   37.588   15.775 -5.471043 19.79602 
1 1 1  -30   10   22 o   56.902   8.7710  1384.95  392.222  1665.99  443.915  384.690  837.483   62.432   9.0185   39.724   16.278 22.70758 18.60892 
1 1 1  -30   10   23 o   36.413   11.819  573.435  399.702  707.250  457.720  143.684  820.268   39.924   12.616   36.022   15.504 3.902016 19.98834 
1 1 1  -30   10   24 f   50.466   10.503  1154.20  416.359  1333.04  457.637  294.882  1003.17   54.191   10.780   39.139   16.995 15.05235 20.12520 
1 1 1  -30   10   25 o   41.935   11.623  846.878  409.466  764.173  435.827  1469.18  1195.49   39.721   12.273   49.833   19.788 -10.11198 23.28542 
1 1 1  -30   12    1 o  542.263   38.790 121478.50 16966.46   0.0000   0.0000 121478.50 16966.46  ?   ?   542.263   38.790 0.000000 38.79005 
1 1 1  -30   12    2 o  329.544   25.548 44603.07  6782.72   0.0000   0.0000 44603.07  6782.72  ?   ?   329.544   25.548 0.000000 25.54818 
1 1 1  -30   12    3 o   97.844   11.603  3946.20  903.865   0.0000   0.0000  3946.20  903.865  ?   ?    97.844   11.603 0.000000 11.60320 
1 1 1  -30   12    4 o  189.129   15.491 14656.62  2357.99   0.0000   0.0000 14656.62  2357.99  ?   ?   189.129   15.491 0.000000 15.49068 
1 1 1  -30   12    5 o  655.040   46.035 179757.50 24329.06   0.0000   0.0000 179757.50 24329.06  ?   ?   655.040   46.035 0.000000 46.03487 
1 1 1  -30   12    6 o  253.357   19.194 26357.12  3919.33   0.0000   0.0000 26357.12  3919.33  ?   ?   253.357   19.194 0.000000 19.19449 
1 1 1  -30   12    7 o   99.978   11.450  4121.04  912.740   0.0000   0.0000  4121.04  912.740  ?   ?    99.978   11.450 0.000000 11.44996 
1 1 1  -30   12    8 o  177.451   10.623 12861.68  1523.59 16871.46  2254.16  9489.15  2067.30  202.967   13.759  151.444   17.112 51.52235 21.95753 
1 1 1  -30   12    9 o  372.996   16.498 56864.02  4996.61 51699.56  8809.59 59313.29  6066.82  351.356   31.204  379.900   19.736 -28.54446 36.92158 
1 1 1  -30   12   10 o  459.808   19.551 86745.90  7299.30 85177.66 12791.71 87503.10  8888.48  449.063   35.368  460.037   23.878 -10.97427 42.67381 
1 1 1  -30   12   11 o  260.755   15.063 27892.71  3175.54 21244.98  4637.19 33763.07  4357.62  225.011   25.851  286.176   18.859 -61.16472 31.99878 
1 1 1  -30   12   12 o  371.462   15.317 56499.01  4619.82 56389.76  8153.29 56550.66  5606.72  366.678   27.587  370.408   18.702 -3.729034 33.32893 
1 1 1  -30   12   13 o  511.091   20.717 107988.50  8597.26 107414.10 15042.74 108267.10 10476.96  498.540   37.434  509.492   25.326 -10.95114 45.19646 
1 1 1  -30   12   14 o  158.140   8.6929 10222.00  1111.93 10676.46  2058.24 10034.71  1321.34  160.368   16.021  156.442   10.462 3.925507 19.13474 
1 1 1  -30   12   15 o  179.000   9.2592 13111.30  1341.14 13495.11  2542.23 12963.29  1578.69  179.790   17.642  177.697   10.996 2.092758 20.78785 
1 1 1  -30   12   16 o  295.818   13.380 36055.96  3213.81 32095.32  5737.63 37866.69  3879.51  272.419   26.265  301.860   15.884 -29.44077 30.69420 
1 1 1  -30   12   17 o  142.696   9.3022  8388.26  1071.90  6330.02  2012.03  9203.93  1266.61  120.021   21.433  149.207   10.522 -29.18594 23.87615 
1 1 1  -30   12   18 o   44.112   14.842  776.667  628.730 -276.0793  1516.25  995.269  690.930   46.297   20.472   48.779   15.509 -2.481251 25.68377 
1 1 1  -30   12   19 o  149.411   10.193  9309.30  1229.19 10546.23  2770.83  9006.24  1371.53  151.281   23.306  146.363   11.637 4.917877 26.04928 
1 1 1  -30   12   20 o  194.958   11.419 16041.05  1799.69 14208.23  3710.24 16604.96  2058.01  168.513   28.106  197.330   12.916 -28.81708 30.93185 
1 1 1  -30   12   21 o  138.547   11.674  8219.01  1301.02  8328.10  2703.85  8186.15  1484.11  126.304   27.171  137.088   13.509 -10.78401 30.34386 
1 1 1  -30   12   22 f   77.162   16.488  2795.11  1001.70  5248.35  2750.42  2419.96  1075.57   91.211   31.041   70.510   18.540 20.70141 36.15601 
1 1 1  -30   12   23 o   81.669   20.929  3549.42  1394.19  450.795  3127.60  4317.85  1557.50   57.125   26.776   89.677   21.638 -32.55259 34.42648 
1 1 1  -30   12   24 o   55.698   21.354  1802.63  1352.94   0.0000   0.0000  1802.63  1352.94  ?   ?    55.698   21.354 0.000000 21.35425 
1 1 1  -30   12   25 o   23.958   12.065 -2541.1040  1075.60   0.0000   0.0000 -2541.1040  1075.60  ?   ?    23.958   12.065 0.000000 12.06524 
1 1 1  -30   14    1 o  431.216   22.506 76192.02  7852.78   0.0000   0.0000 76192.02  7852.78  ?   ?   431.216   22.506 0.000000 22.50603 
1 1 1  -30   14    2 o  264.265   12.637 28413.25  2711.64 26562.82  4786.74 29287.68  3290.55  253.786   23.496  267.745   15.199 -13.95827 27.98300 
1 1 1  -30   14    3 o  791.309   57.108 267440.41 36446.16 267440.41 36446.16   0.0000   0.0000  791.309   57.108  ?   ?  0.000000 57.10774 
1 1 1  -30   14    4 o  283.140   22.601 33019.12  5152.66 33019.12  5152.66   0.0000   0.0000  283.140   22.601  ?   ?  0.000000 22.60094 
1 1 1  -30   14    5 o  265.473   21.458 29036.58  4585.77 29036.58  4585.77   0.0000   0.0000  265.473   21.458  ?   ?  0.000000 21.45761 
1 1 1  -30   14    9 o  523.291   37.704 116065.80 15912.80   0.0000   0.0000 116065.80 15912.80  ?   ?   523.291   37.704 0.000000 37.70377 
1 1 1  -30   14   10 o   76.620   7.9511  2413.68  487.459   0.0000   0.0000  2413.68  487.459  ?   ?    76.620   7.9511 0.000000 7.951091 
1 1 1  -30   14   11 o  375.557   19.273 58162.75  5857.25   0.0000   0.0000 58162.75  5857.25  ?   ?   375.557   19.273 0.000000 19.27280 
1 1 1  -30   14   12 o  165.900   10.033 11260.38  1345.10   0.0000   0.0000 11260.38  1345.10  ?   ?   165.900   10.033 0.000000 10.03273 
1 1 1  -30   14   13 o  482.681   23.819 97151.05  9335.10   0.0000   0.0000 97151.05  9335.10  ?   ?   482.681   23.819 0.000000 23.81884 
1 1 1  -30   14   14 o  261.283   11.388 27921.58  2415.90 33256.11  4492.61 25751.41  2865.48  282.444   19.713  250.032   14.173 32.41139 24.27923 
1 1 1  -30   14   15 o  130.665   8.8624  7003.35  934.700  5823.44  2095.75  7296.33  1044.32  115.633   23.129  133.246   9.7195 -17.61292 25.08833 
1 1 1  -30   14   16 o  143.270   9.4638  8447.75  1094.72  6936.53  2380.13  8853.22  1232.86  125.049   24.317  146.473   10.434 -21.42383 26.46108 
1 1 1  -30   14   17 o   35.751   13.425  404.116  528.103 -521.8931  1308.53  584.293  577.198   41.290   18.584   39.921   14.181 1.368778 23.37657 
1 1 1  -30   14   18 o  155.141   10.015 10001.38  1254.80  8686.00  2712.70 10359.45  1415.32  136.430   25.423  157.480   11.140 -21.04976 27.75713 
1 1 1  -30   14   19 o   97.719   11.029  4038.88  859.778  2402.76  2166.79  4344.62  936.674   73.643   27.284  101.180   11.612 -27.53709 29.65200 
1 1 1  -30   14   20 o   43.419   14.476  788.585  598.106 -1584.3719  2010.83  1018.90  626.459   44.643   21.094   48.170   14.685 -3.527695 25.70222 
1 1 1  -30   14   21 o   69.372   15.300  2203.54  838.650  1714.36  2024.02  2304.93  921.473   63.486   25.565   70.451   16.413 -6.965389 30.37997 
1 1 1  -30   14   22 o   46.452   17.018  920.801  839.123  5814.21  2538.80  320.668  889.090   96.233   29.604   39.215   16.478 57.01762 33.88092 
1 1 1  -30   14   23 o   53.730   21.087  1449.11  1342.87  1042.27  2888.88  1561.25  1516.69   56.591   26.262   55.250   22.172 1.340969 34.36943 
1 1 1  -30   14   24 o   31.521   15.450 -1591.3370  1341.40   0.0000   0.0000 -1591.3370  1341.40  ?   ?    31.521   15.450 0.000000 15.45008 
1 1 1  -30   16    1 o  474.643   24.096 92678.05  9256.18   0.0000   0.0000 92678.05  9256.18  ?   ?   474.643   24.096 0.000000 24.09644 
1 1 1  -30   16    2 o  442.773   18.361 80104.38  6601.19 82207.91 11576.96 79090.98  8035.48  444.482   32.298  438.668   22.637 5.813843 39.44135 
1 1 1  -30   16    3 o  515.625   21.413 108927.20  8964.88 98457.49 15608.42 114081.40 10951.46  483.240   40.143  526.656   25.610 -43.41623 47.61625 
1 1 1  -30   16    4 o  293.980   16.872 35411.48  4010.58 29619.92  5869.83 40482.55  5492.59  266.643   27.507  313.495   21.712 -46.85184 35.04299 
1 1 1  -30   16    5 o  202.250   12.887 16735.20  2105.27 14154.46  3165.92 18781.08  2818.82  184.557   21.531  213.831   16.359 -29.27408 27.04133 
1 1 1  -30   16    6 o  440.521   31.773 81067.58 11288.52   0.0000   0.0000 81067.58 11288.52  ?   ?   440.521   31.773 0.000000 31.77291 
1 1 1  -30   16    7 o   56.499   11.892  1349.62  528.284  1599.36  1049.31  1264.83  611.427   62.366   19.004   54.629   13.784 7.737003 23.47720 
1 1 1  -30   16    8 o  267.289   15.180 29287.02  3281.03 27127.31  4832.94 31133.38  4468.60  255.453   23.566  274.624   20.181 -19.17091 31.02649 
1 1 1  -30   16    9 o  504.513   37.518 108442.00 15259.24 108442.00 15259.24   0.0000   0.0000  504.513   37.518  ?   ?  0.000000 37.51805 
1 1 1  -30   16   10 o  377.887   17.177 58583.71  5270.35 70576.13  7750.08 48266.63  7188.38  412.371   23.241  339.708   26.265 72.66251 35.07107 
1 1 1  -30   16   11 o  184.615   10.505 13943.46  1568.15 17990.94  2571.28 11546.52  1978.73  208.982   15.259  167.280   14.718 41.70200 21.20005 
1 1 1  -30   16   12 o  487.457   24.370 99148.71  9645.53 100941.60 13932.05 97498.28 13367.16  483.295   35.757  475.661   34.853 7.634277 49.93259 
1 1 1  -30   16   13 o  176.186   11.671 12751.55  1660.12 11691.28  2740.06 13366.48  2086.72  166.551   20.709  179.863   14.409 -13.31190 25.22856 
1 1 1  -30   16   14 o   81.531   12.052  2783.05  773.807   0.0000   0.0000  2783.05  773.807  ?   ?    81.531   12.052 0.000000 12.05207 
1 1 1  -30   16   15 o  200.476   16.698 16861.80  2693.43   0.0000   0.0000 16861.80  2693.43  ?   ?   200.476   16.698 0.000000 16.69835 
1 1 1  -30   16   16 o   62.076   16.217  1679.03  826.393   0.0000   0.0000  1679.03  826.393  ?   ?    62.076   16.217 0.000000 16.21719 
1 1 1  -30   16   17 o  133.768   15.037  7640.10  1604.91   0.0000   0.0000  7640.10  1604.91  ?   ?   133.768   15.037 0.000000 15.03675 
1 1 1  -30   16   18 o  161.023   16.889 11298.87  2175.28   0.0000   0.0000 11298.87  2175.28  ?   ?   161.023   16.889 0.000000 16.88902 
1 1 1  -30   16   19 o   65.823   19.600  1998.41  1125.63   0.0000   0.0000  1998.41  1125.63  ?   ?    65.823   19.600 0.000000 19.60019 
1 1 1  -30   16   20 o   29.237   14.015 -1182.6230  955.234   0.0000   0.0000 -1182.6230  955.234  ?   ?    29.237   14.015 0.000000 14.01530 
1 1 1  -30   16   21 o  135.618   19.001  8775.76  2034.86   0.0000   0.0000  8775.76  2034.86  ?   ?   135.618   19.001 0.000000 19.00061 
1 1 1  -30   18    1 o  424.623   21.928 74160.90  7534.69   0.0000   0.0000 74160.90  7534.69  ?   ?   424.623   21.928 0.000000 21.92846 
1 1 1  -30   18    2 o  294.561   13.658 35372.84  3266.75 37590.64  5838.77 34362.25  3941.38  301.419   24.057  289.530   16.838 11.88925 29.36448 
1 1 1  -30   18    3 o   78.021   10.966  2526.50  675.532  2091.64  1283.56  2693.09  794.463   70.864   20.888   80.344   12.592 -9.479568 24.38972 
1 1 1  -30   18    4 o  210.350   13.564 18117.90  2304.38 16523.82  3503.95 19332.81  3058.97  199.406   22.008  216.718   17.534 -17.31186 28.13861 
1 1 1  -30   18    5 o   86.486   14.014  3129.10  950.439   0.0000   0.0000  3129.10  950.439  ?   ?    86.486   14.014 0.000000 14.01397 
1 1 1  -30   18    6 o  484.126   24.898 97024.84  9754.30 95113.91 14020.46 98817.41 13579.43  474.013   36.714  484.212   34.770 -10.19882 50.56588 
1 1 1  -30   18    7 o  364.381   18.970 54629.35  5593.08 57372.41  8141.89 52178.19  7696.50  370.881   27.227  353.682   27.005 17.19891 38.34774 
1 1 1  -30   18    8 f  296.305   16.342 36065.07  3916.43 36694.14  5790.38 35534.63  5317.16  296.837   24.236  292.572   22.557 4.265259 33.10846 
1 1 1  -30   18    9 o  139.907   19.964  8217.97  2203.59  8217.97  2203.59   0.0000   0.0000  139.907   19.964  ?   ?  0.000000 19.96406 
1 1 1  -30   18   10 o  285.824   12.507 33382.07  2902.64 37874.26  5497.42 31645.63  3417.91  301.456   22.624  277.454   15.230 24.00226 27.27286 
1 1 1  -30   18   11 o  170.938   8.9781 11940.30  1241.75 13706.02  2691.63 11462.88  1399.59  181.376   18.537  167.294   10.354 14.08273 21.23298 
1 1 1  -30   18   12 o   40.980   10.454  712.175  348.980  1903.47  1391.05  632.161  360.509   68.342   22.035   38.823   10.958 29.51872 24.60964 
1 1 1  -30   18   13 f   41.150   11.016  717.097  375.379  2213.89  1455.73  610.481  388.518   72.521   22.435   38.421   11.532 34.09962 25.22498 
1 1 1  -30   18   14 o   98.418   9.0806  3995.69  717.467  4169.26  1844.54  3964.75  778.796   96.987   23.638   97.879   9.9371 -0.8924484 25.64200 
1 1 1  -30   18   15 o   59.925   11.914  1534.60  559.308  1694.62  1622.59  1513.02  595.825   66.131   23.746   59.338   12.747 6.792622 26.95047 
1 1 1  -30   18   16 o  143.238   10.063  8511.67  1162.95  4066.22  2627.33  9594.87  1296.91   92.746   30.312  151.953   10.577 -59.20701 32.10434 
1 1 1  -30   18   17 o  127.893   9.8197  6812.92  1011.94  5286.48  2308.04  7176.18  1125.93  104.425   27.016  130.979   10.680 -26.55364 29.05021 
1 1 1  -30   18   18 o  137.791   10.658  7980.67  1183.19  5439.62  2627.82  8626.82  1325.11  102.287   29.812  142.889   11.519 -40.60189 31.96055 
1 1 1  -30   18   19 o   26.374   12.090 -359.6197  585.989  1173.41  1661.75 -577.3252  626.216   57.852   23.210   25.540   11.975 32.31258 26.11735 
1 1 1  -30   18   20 o   65.658   14.805  1971.22  770.457 -5275.7622  2532.19  2710.58  808.805   38.927   19.447   78.083   13.229 -39.15627 23.52024 
1 1 1  -30   18   21 o   29.894   13.780 -424.3440  776.057  3951.64  2527.57 -879.8140  815.445   78.506   29.392   27.510   13.123 50.99550 32.18849 
1 1 1  -30   18   22 o   59.550   19.342  1894.96  1070.39  1177.60  2621.31  2038.51  1172.60   56.009   25.636   61.049   20.265 -5.040287 32.67781 
1 1 1  -30   18   23 o   68.115   23.183  3169.58  1534.25   0.0000   0.0000  3169.58  1534.25  ?   ?    68.115   23.183 0.000000 23.18340 
1 1 1  -30   20    1 o  489.659   25.635 99246.19 10156.80   0.0000   0.0000 99246.19 10156.80  ?   ?   489.659   25.635 0.000000 25.63526 
1 1 1  -30   20    2 o  946.659   38.039 377735.09 29239.02 380739.41 50955.23 376260.19 35701.62  910.463   69.451  934.602   47.199 -24.13837 83.97094 
1 1 1  -30   20    3 o  418.865   22.763 72443.19  7712.59   0.0000   0.0000 72443.19  7712.59  ?   ?   418.865   22.763 0.000000 22.76257 
1 1 1  -30   20    4 o  345.539   15.891 48824.96  4458.50 44059.04  7846.34 51097.58  5418.22  323.927   30.179  352.448   19.003 -28.52100 35.66400 
1 1 1  -30   20    5 f  152.917   12.164  9595.72  1497.85 10566.74  2465.75  9027.86  1885.63  159.268   19.472  147.704   15.977 11.56410 25.18831 
1 1 1  -30   20    6 o  293.709   17.402 35489.98  4131.63 30980.08  6163.66 39169.91  5567.69  271.316   28.399  307.300   22.470 -35.98441 36.21336 
1 1 1  -30   20    7 o  423.527   22.313 74309.80  7646.30 73931.93 11100.09 74651.02 10548.01  417.552   33.009  420.581   31.108 -3.028900 45.35762 
1 1 1  -30   20    8 o  218.383   13.476 19572.19  2377.93 22836.20  3683.93 17240.88  3113.41  234.651   19.512  203.783   19.037 30.86786 27.26022 
1 1 1  -30   20    9 o  325.612   17.600 43746.31  4635.95 47522.97  6899.07 40637.04  6259.88  336.547   25.435  311.256   24.980 25.29111 35.64965 
1 1 1  -30   20   10 o  273.807   15.834 30911.24  3505.28 32334.98  5296.26 29801.49  4675.92  277.463   23.737  267.017   21.756 10.44598 32.19905 
1 1 1  -30   20   11 o  205.174   10.081 17191.40  1679.46 19136.71  3660.64 16672.78  1890.12  213.298   21.426  201.538   11.599 11.75943 24.36439 
1 1 1  -30   20   12 o  479.107   17.963 95378.05  6987.87 112669.20 12713.60 87893.19  8364.66  508.655   30.930  456.919   22.546 51.73663 38.27482 
1 1 1  -30   20   13 o  148.004   9.4686  9006.31  1131.92  8084.31  2628.38  9216.24  1254.18  135.326   24.836  149.536   10.394 -14.20930 26.92290 
1 1 1  -30   20   14 o   53.051   11.794  1207.45  494.874 -1997.9690  1815.92  1464.61  514.341   41.851   19.854   58.649   11.209 -16.79757 22.80019 
1 1 1  -30   20   15 o  141.319   8.9782  8248.08  1024.88  8302.20  2444.64  8236.53  1128.87  135.766   22.997  140.955   9.9267 -5.189758 25.04812 
1 1 1  -30   20   16 o  116.968   9.8559  5702.25  927.328  4435.69  2375.09  5930.05  1007.28   95.339   28.490  119.084   10.526 -23.74488 30.37184 
1 1 1  -30   20   17 o  207.831   11.387 18155.37  1914.22 18637.72  4253.84 18032.89  2143.51  195.596   27.548  206.159   12.869 -10.56357 30.40552 
1 1 1  -30   20   18 o  171.037   11.080 12371.78  1530.44 10243.48  3733.59 12801.61  1677.88  134.193   34.173  173.407   11.990 -39.21397 36.21597 
1 1 1  -30   20   19 o   85.221   12.922  3193.80  866.111  1662.05  2857.66  3348.74  908.860   67.347   28.962   87.126   13.266 -19.77869 31.85585 
1 1 1  -30   20   20 o   35.638   14.481  325.200  655.816  1725.82  2769.79  242.015  675.010   64.438   28.106   34.853   14.480 29.58497 31.61696 
1 1 1  -30   20   21 o   63.151   19.743  2105.77  1124.05 -771.0823  3255.94  2495.04  1197.69   53.109   25.567   68.339   20.187 -15.22923 32.57539 
1 1 1  -30   20   22 o   39.095   17.619  128.271  1180.56  365.799  3455.93   96.891  1256.13   52.533   25.539   39.680   18.001 12.85349 31.24532 
1 1 1  -30   20   23 o   68.888   22.860  3487.72  1492.20   0.0000   0.0000  3487.72  1492.20  ?   ?    68.888   22.860 0.000000 22.85981 
1 1 1  -30   22    1 o  141.996   14.205  8317.88  1615.81   0.0000   0.0000  8317.88  1615.81  ?   ?   141.996   14.205 0.000000 14.20507 
1 1 1  -30   22    2 o  406.016   22.410 68194.73  7359.29   0.0000   0.0000 68194.73  7359.29  ?   ?   406.016   22.410 0.000000 22.40988 
1 1 1  -30   22    3 o  580.478   24.507 139516.30 11550.81 135496.09 20322.91 141434.80 14038.81  557.643   45.275  581.028   29.858 -23.38434 54.23404 
1 1 1  -30   22    4 o  325.831   15.573 43464.13  4120.11 45380.13  7378.91 42596.18  4966.40  328.837   27.899  321.336   19.121 7.501678 33.82263 
1 1 1  -30   22    5 o   71.637   12.941  2159.89  725.026  1453.10  1452.18  2394.56  836.780   63.465   22.498   75.309   14.205 -11.84345 26.60759 
1 1 1  -30   22    6 o  598.781   30.828 151375.50 14937.26 154341.09 21543.85 148630.00 20728.68  591.867   45.170  581.713   44.217 10.15381 63.20980 
1 1 1  -30   22    7 o  525.728   41.700 121150.40 17654.43 121150.40 17654.43   0.0000   0.0000  525.728   41.700  ?   ?  0.000000 41.69966 
1 1 1  -30   22    8 o  393.203   21.822 64368.96  6939.83 60710.29 10203.65 67518.12  9466.55  375.367   33.842  398.737   29.448 -23.36945 44.86029 
1 1 1  -30   22    9 o  193.986   13.902 15514.02  2175.13 15768.60  3544.98 15360.31  2754.61  193.065   23.071  192.071   17.868 0.9938049 29.18071 
1 1 1  -30   22   10 o  344.219   19.853 49479.64  5525.24 46047.77  8250.79 52269.97  7439.73  325.179   31.650  350.177   26.359 -24.99786 41.18877 
1 1 1  -30   22   11 o  199.995   9.8785 16367.54  1604.16 17285.18  3627.08 16144.40  1788.60  201.097   22.605  198.106   11.165 2.990555 25.21191 
1 1 1  -30   22   12 o  249.743   12.635 25813.77  2553.85 19195.78  5248.86 27866.41  2923.20  204.425   32.726  258.972   13.953 -54.54657 35.57656 
1 1 1  -30   22   13 o  116.460   8.9884  5598.82  843.378  5471.24  2727.00  5612.31  886.857  107.759   30.040  116.498   9.4571 -8.738976 31.49368 
1 1 1  -30   22   14 o  124.668   9.4373  6439.25  948.222  5585.05  2948.21  6537.81  1001.43  106.774   31.704  125.495   9.9084 -18.72167 33.21612 
1 1 1  -30   22   15 o   97.528   9.5714  3969.23  748.195 -337.3588  2739.18  4316.44  777.772   60.439   27.070  101.754   9.5246 -41.31487 28.69677 
1 1 1  -30   22   16 o   37.929   13.119  560.866  491.876 -1847.3900  2523.55  655.972  501.494   50.575   23.815   40.062   13.250 10.51247 27.25307 
1 1 1  -30   22   17 o  103.561   10.441  4537.33  865.974  3823.55  2722.16  4617.70  913.427   85.314   30.743  104.276   10.952 -18.96229 32.63578 
1 1 1  -30   22   18 o   46.724   14.883  958.783  636.003 -3622.0220  2988.57  1176.08  650.913   47.870   23.377   51.075   14.824 -3.205528 27.68104 
1 1 1  -30   22   19 o   53.895   16.576  1358.43  796.021 -15.4056  2745.86  1484.48  831.738   56.316   25.946   56.082   16.882 0.2345200 30.95461 
1 1 1  -30   22   20 o   83.455   21.170  3707.70  1436.79  6402.22  3333.03  3092.70  1592.34   88.854   33.647   73.651   23.558 15.20304 41.07439 
1 1 1  -30   22   21 o   55.096   21.240  1694.30  1343.49 -1075.2010  4080.41  2031.05  1422.82   52.475   25.954   58.666   22.035 -6.191059 34.04640 
1 1 1  -30   22   22 o   45.809   19.292  1090.12  1223.06   0.0000   0.0000  1090.12  1223.06  ?   ?    45.809   19.292 0.000000 19.29218 
1 1 1  -30   24    1 o  462.444   25.425 89209.88  9510.27   0.0000   0.0000 89209.88  9510.27  ?   ?   462.444   25.425 0.000000 25.42531 
1 1 1  -30   24    2 o  403.799   23.022 67772.56  7516.87   0.0000   0.0000 67772.56  7516.87  ?   ?   403.799   23.022 0.000000 23.02163 
1 1 1  -30   24    3 o  161.125   13.115 10682.00  1700.90  9502.96  3415.09 11070.95  1961.49  148.026   29.450  163.739   14.917 -15.71306 33.01231 
1 1 1  -30   24    4 o  286.521   15.534 33767.06  3600.35 27959.34  6544.20 36287.90  4311.49  255.066   32.324  296.408   17.999 -41.34207 36.99731 
1 1 1  -30   24    5 o  260.781   14.698 27967.00  3099.64 31605.70  5695.21 26435.54  3694.80  273.746   25.932  252.671   18.130 21.07417 31.64099 
1 1 1  -30   24    6 o   33.763   16.335 -2207.1211  1370.17 -2207.1211  1370.17   0.0000   0.0000   33.763   16.335  ?   ?  0.000000 16.33510 
1 1 1  -30   24    7 o  110.291   14.645  5081.59  1279.08  6750.92  2617.17  4557.74  1466.10  124.308   26.724  103.588   18.089 20.71920 32.27073 
1 1 1  -30   24    8 o  346.547   20.736 50271.31  5808.13 46062.31  8820.46 53493.46  7717.46  323.549   34.088  353.839   27.067 -30.29028 43.52681 
1 1 1  -30   24    9 o   42.579   16.222  532.276  777.676 -2609.6660  1722.34  1336.86  871.580   38.215   18.446   56.608   17.334 -18.39391 25.31286 
1 1 1  -30   24   10 f  304.986   18.757 39185.94  4622.37 37194.30  7120.40 40636.62  6076.94  288.410   30.886  306.656   24.613 -18.24673 39.49383 
1 1 1  -30   24   11 o  125.012   14.531  6586.65  1447.50  3313.93  2801.48  7778.57  1690.67   88.305   31.255  135.611   15.641 -47.30618 34.94987 
1 1 1  -30   24   12 o  220.907   10.907 20160.47  1956.41 19816.19  4518.68 20239.89  2170.39  208.525   27.347  220.565   12.166 -12.04036 29.93131 
1 1 1  -30   24   13 o   14.828   7.2607 -570.5734  294.014  3754.69  2055.85 -660.8846  297.068   89.495   26.451   14.261   7.0440 75.23370 27.37276 
1 1 1  -30   24   14 o  151.617   10.143  9573.89  1241.49  5446.94  3497.75 10168.75  1327.95  102.227   35.003  156.122   10.537 -53.89481 36.55512 
1 1 1  -30   24   15 o   58.622   11.949  1492.97  549.466  2557.35  2681.49  1446.32  561.378   76.818   29.896   57.570   12.377 19.24729 32.35724 
1 1 1  -30   24   16 o   29.494   12.213  126.596  478.009 -544.0092  3052.46  143.454  483.980   60.026   27.544   29.908   12.328 30.11833 30.17703 
1 1 1  -30   24   17 o   30.074   13.072 -30.3122  594.663  2778.13  2723.88 -170.8657  609.362   74.660   29.799   28.826   12.849 45.83405 32.45158 
1 1 1  -30   24   18 o   95.673   11.423  3982.37  869.813  850.992  4050.68  4133.73  890.588   66.497   30.939   97.467   11.473 -30.96954 32.99746 
1 1 1  -30   24   19 o   84.443   20.671  3724.54  1405.90 -258.6493  4374.87  4183.26  1484.64   60.479   29.243   89.553   20.813 -29.07427 35.89364 
1 1 1  -30   24   20 f   65.321   21.485  2480.59  1319.16 -499.1982  4676.98  2738.13  1374.99   55.910   27.677   68.215   21.899 -12.30485 35.29242 
1 1 1  -30   24   21 o   58.103   21.751  2236.87  1384.20   0.0000   0.0000  2236.87  1384.20  ?   ?    58.103   21.751 0.000000 21.75142 
1 1 1  -30   26    1 o  339.652   20.776 48033.27  5702.21   0.0000   0.0000 48033.27  5702.21  ?   ?   339.652   20.776 0.000000 20.77608 
1 1 1  -30   26    2 o  311.704   19.699 40397.79  4960.00   0.0000   0.0000 40397.79  4960.00  ?   ?   311.704   19.699 0.000000 19.69885 
1 1 1  -30   26    3 o  299.375   19.243 37271.20  4652.79   0.0000   0.0000 37271.20  4652.79  ?   ?   299.375   19.243 0.000000 19.24270 
1 1 1  -30   26    4 o  135.467   22.131  7845.51  2350.17 10781.56  3376.82  5087.40  3272.90  157.526   27.396  108.078   33.673 49.44742 43.40939 
1 1 1  -30   26    5 o  177.438   14.153 13027.00  2022.06 14371.25  4065.35 12585.12  2330.83  181.581   28.513  173.737   16.729 7.843842 33.05830 
1 1 1  -30   26    6 o   80.254   16.939  2766.10  1069.11  1375.37  2752.69  3013.15  1160.19   74.518   29.881   83.700   17.628 -9.181946 34.69373 
1 1 1  -30   26    7 o  333.261   20.280 46826.32  5461.55 47863.77  8453.93 46083.15  7155.11  328.022   32.154  325.772   27.302 2.249481 42.18137 
1 1 1  -30   26    8 o  454.737   26.050 89918.74  9578.56 90140.38 14321.54 89739.36 12884.41  434.746   41.057  440.858   36.317 -6.111542 54.81429 
1 1 1  -30   26    9 o  168.448   15.212 11924.82  2058.14 13978.69  3783.74 11061.78  2452.73  176.373   27.303  160.594   19.190 15.77951 33.37243 
1 1 1  -30   26   10 o  101.900   16.502  4474.21  1318.71  6747.56  2989.40  3924.95  1469.41  119.085   30.715   94.184   19.841 24.90022 36.56623 
1 1 1  -30   26   11 o   60.170   18.421  1566.70  984.355  2439.01  2324.88  1376.16  1086.55   77.042   28.312   57.798   19.511 19.24393 34.38343 
1 1 1  -30   26   12 o   44.656   16.729  674.535  819.068  2834.81  2575.47  431.458  863.921   80.729   29.778   41.997   16.776 38.73150 34.17852 
1 1 1  -30   26   13 o   18.319   8.4710 -239.0177  296.728  4231.67  2931.53 -285.2958  298.259   92.012   32.016   17.803   8.3205 74.20847 33.07996 
1 1 1  -30   26   14 o   44.610   11.901  867.026  439.019 -4705.8848  2816.66  1005.78  444.451   44.812   22.049   48.021   11.542 -3.208630 24.88686 
1 1 1  -30   26   15 o  122.444   9.4967  6291.49  936.781  7262.32  3663.36  6223.56  968.998  109.718   35.789  121.607   9.8994 -11.88895 37.13336 
1 1 1  -30   26   16 o  180.549   11.203 13903.25  1634.30 15621.23  4921.90 13690.36  1732.60  154.127   39.230  178.511   12.024 -24.38394 41.03074 
1 1 1  -30   26   17 o   35.206   13.567  409.562  547.969  2319.11  2884.92  338.090  558.130   68.992   29.368   34.193   13.539 34.79922 32.33889 
1 1 1  -30   26   18 o   58.702   21.699  1758.02  1368.99 -143.5154  3366.43  2134.79  1498.49   56.829   26.981   62.999   22.793 -6.169567 35.32037 
1 1 1  -30   26   19 o   49.751   19.933  1171.06  1223.77 -829.4179  4865.15  1306.19  1264.42   55.987   27.804   51.336   20.362 4.650505 34.46210 
1 1 1  -30   26   20 o   77.664   25.142  4405.58  1809.55  5898.94  5088.46  4189.38  1936.11   61.313   30.060   73.083   25.970 -11.76950 39.72512 
1 1 1  -30   28    1 o  162.917   29.963 11852.88  3817.60   0.0000   0.0000 11852.88  3817.60  ?   ?   162.917   29.963 0.000000 29.96344 
1 1 1  -30   28    2 o  248.220   18.745 25886.12  3750.21   0.0000   0.0000 25886.12  3750.21  ?   ?   248.220   18.745 0.000000 18.74542 
1 1 1  -30   28    3 o  341.080   22.250 49482.38  6128.35   0.0000   0.0000 49482.38  6128.35  ?   ?   341.080   22.250 0.000000 22.25023 
1 1 1  -30   28    4 o  282.170   16.511 33266.40  3766.38 42719.58  7470.45 30044.55  4361.24  310.270   30.029  266.167   20.334 44.10309 36.26541 
1 1 1  -30   28    5 o  120.969   16.527  6211.76  1580.86  5751.91  3667.51  6316.69  1751.97  111.341   35.767  121.416   18.343 -10.07515 40.19644 
1 1 1  -30   28    6 o  234.028   16.056 22993.18  3032.48 25274.35  5966.40 22198.63  3521.21  234.513   32.182  228.345   19.169 6.167206 37.45839 
1 1 1  -30   28    7 o   44.414   17.349  536.406  905.616 -1587.0959  3074.14  738.206  947.670   60.036   27.583   47.721   17.972 12.31542 32.92100 
1 1 1  -30   28    8 o  106.660   18.346  4958.98  1531.54  3947.38  3192.48  5261.39  1745.52   93.711   33.343  109.094   20.457 -15.38335 39.11872 
1 1 1  -30   28    9 o  158.516   16.706 10763.33  2117.79 10807.34  4218.24 10748.49  2448.79  146.219   35.814  156.880   19.656 -10.66048 40.85276 
1 1 1  -30   28   10 o   31.373   14.562 -707.6097  888.966  2089.30  2683.02 -1052.5190  942.186   75.522   29.754   30.268   14.343 45.25406 33.03005 
1 1 1  -30   28   11 o   60.509   19.896  1582.41  1131.36  9880.64  3030.78  238.880  1219.51  143.985   26.913   45.495   19.218 98.48993 33.07027 
1 1 1  -30   28   12 o   69.464   9.3396  2033.55  513.433  3923.55  3504.89  1992.10  519.032   89.204   34.329   68.679   9.5672 20.52499 35.63742 
1 1 1  -30   28   13 o  103.141   8.9896  4447.72  745.322  4147.05  3485.27  4462.12  762.972   88.708   34.206  103.240   9.1981 -14.53159 35.42141 
1 1 1  -30   28   14 o   47.618   11.907  999.787  459.150 -3966.4551  3584.73  1082.62  462.964   52.940   25.798   49.594   11.688 3.345596 28.32218 
1 1 1  -30   28   15 o  138.544   10.044  8140.59  1122.17  8127.14  4662.18  8141.41  1156.16  103.127   39.616  138.360   10.367 -35.23295 40.95015 
1 1 1  -30   28   16 o   87.269   10.483  3294.60  727.938  1855.61  3740.61  3351.24  742.126   68.270   31.006   87.964   10.604 -19.69374 32.76934 
1 1 1  -30   28   17 o   71.629   23.361  2913.44  1560.86  2349.05  4716.90  2982.83  1654.04   67.128   31.890   71.811   24.073 -4.683426 39.95642 
1 1 1  -30   28   18 o   38.643   17.286   91.813  1113.28 -2062.6040  4812.58  213.619  1144.32   53.496   26.738   39.988   17.729 13.50806 32.08183 
1 1 1  -30   28   19 o   45.168   20.237  754.214  1532.34  1906.10  5447.11  655.224  1596.82   54.562   27.435   44.860   20.329 9.701656 34.14608 
1 1 1  -30   30    1 o  231.833   19.640 22992.20  3662.39   0.0000   0.0000 22992.20  3662.39  ?   ?   231.833   19.640 0.000000 19.64049 
1 1 1  -30   30    2 o  392.679   25.920 68116.25  8217.76   0.0000   0.0000 68116.25  8217.76  ?   ?   392.679   25.920 0.000000 25.91951 
1 1 1  -30   30    3 o  222.822   19.889 21340.17  3560.62   0.0000   0.0000 21340.17  3560.62  ?   ?   222.822   19.889 0.000000 19.88925 
1 1 1  -30   30    4 o  201.267   19.396 17430.48  3130.50   0.0000   0.0000 17430.48  3130.50  ?   ?   201.267   19.396 0.000000 19.39602 
1 1 1  -30   30    5 o  284.014   18.851 34583.96  4322.56 30305.19  8585.30 36036.93  5002.93  237.197   46.238  287.606   21.581 -50.40881 51.02638 
1 1 1  -30   30    6 o  105.767   19.747  4950.06  1633.47  3574.88  4291.21  5183.08  1766.46   93.996   37.439  107.775   20.940 -13.77982 42.89685 
1 1 1  -30   30    7 o   85.464   20.633  3298.35  1415.59  2374.25  4022.74  3428.96  1512.32   85.250   35.376   86.870   21.545 -1.620132 41.42106 
1 1 1  -30   30    8 f   69.380   21.236  2154.54  1308.29  7144.81  4334.20  1654.27  1372.30  114.896   38.966   62.997   21.906 51.89931 44.70201 
1 1 1  -30   30    9 o   69.806   20.965  2208.48  1283.77 -2337.3550  3534.25  2899.42  1377.88   59.784   28.161   79.420   21.034 -19.63557 35.14928 
1 1 1  -30   30   10 o   90.050   21.767  3787.34  1573.94 -4278.5732  4409.04  4965.34  1684.96   60.956   29.446  104.034   20.675 -43.07768 35.97941 
1 1 1  -30   30   11 o   86.478   21.775  3542.98  1528.05 -3444.1450  4293.42  4556.40  1635.12   61.220   29.443   98.764   21.034 -37.54386 36.18451 
1 1 1  -30   30   12 o  151.473   18.989 10459.72  2284.19 10272.11  5352.95 10501.49  2525.68  119.450   43.101  149.684   21.389 -30.23312 48.11674 
1 1 1  -30   30   13 o   63.355   9.9716  1724.26  496.001  632.805  4191.79  1739.76  499.510   69.731   32.100   63.636   9.9968 6.094940 33.62109 
1 1 1  -30   30   14 o  176.517   10.235 13259.13  1460.68 16644.57  5693.91 13020.64  1511.25  141.607   44.462  174.534   10.716 -32.92734 45.73527 
1 1 1  -30   30   15 o   96.630   22.644  4929.85  1745.66  4486.44  4984.55  4991.84  1863.69   77.237   35.351   95.751   24.014 -18.51372 42.73640 
1 1 1  -30   30   16 o  121.423   22.738  8063.59  2159.35  7064.15  6225.52  8200.28  2302.28   75.585   36.111  120.004   24.458 -44.41934 43.61403 
1 1 1  -30   30   17 o   86.238   23.965  4653.54  1738.42  3635.07  6230.39  4739.53  1810.32   62.089   30.937   85.906   24.660 -23.81669 39.56297 
1 1 1  -30   30   18 o   74.779   26.232  4539.54  1969.86  783.882  6716.87  4892.95  2060.45   52.820   26.958   76.704   26.833 -23.88377 38.03626 
1 1 1  -30   32    1 f  123.785   23.699  6967.47  2295.21   0.0000   0.0000  6967.47  2295.21  ?   ?   123.785   23.699 0.000000 23.69907 
1 1 1  -30   32    2 o   98.463   24.898  4503.39  1991.75   0.0000   0.0000  4503.39  1991.75  ?   ?    98.463   24.898 0.000000 24.89764 
1 1 1  -30   32    3 o  154.457   21.667 10631.18  2642.60   0.0000   0.0000 10631.18  2642.60  ?   ?   154.457   21.667 0.000000 21.66712 
1 1 1  -30   32    4 f  159.355   21.424 11324.04  2701.88   0.0000   0.0000 11324.04  2701.88  ?   ?   159.355   21.424 0.000000 21.42429 
1 1 1  -30   32    5 o   36.590   17.115 -1086.7800  1266.46  1668.71  4173.20 -1366.2950  1329.15   81.288   34.979   36.199   17.118 45.08873 38.94283 
1 1 1  -30   32    6 o  220.069   19.496 21349.20  3447.71 24895.73  7610.89 20433.53  3867.26  203.125   47.067  212.276   22.794 -9.151093 52.29617 
1 1 1  -30   32    7 o  211.453   19.118 19774.68  3246.89 20781.71  7626.28 19551.73  3588.36  174.876   50.735  207.990   21.561 -33.11462 55.12670 
1 1 1  -30   32    8 o   85.847   24.794  3563.78  1825.00  9591.65  6069.42  2964.60  1913.55  119.026   45.325   78.769   25.875 40.25681 52.19060 
1 1 1  -30   32    9 o  187.182   19.735 15870.51  2954.29 14430.83  7079.27 16174.10  3250.89  135.044   49.437  186.882   21.835 -51.83780 54.04491 
1 1 1  -30   32   10 f  160.793   21.080 12061.27  2685.94 14802.88  6578.39 11512.79  2942.37  135.815   47.913  153.888   24.359 -18.07365 53.74948 
1 1 1  -30   32   11 o   74.825   23.980  2807.85  1649.32 -4344.5479  5439.78  3531.92  1730.79   63.605   31.162   83.364   24.165 -19.75891 39.43439 
1 1 1  -30   32   12 o   63.450   23.100  1924.84  1542.58  1588.92  5588.69  1952.55  1604.93   74.978   35.347   63.893   23.517 11.08510 42.45533 
1 1 1  -30   32   13 o   61.555   22.973  1864.54  1541.67  2893.21  5789.64  1786.03  1599.42   74.739   35.455   60.861   23.245 13.87837 42.39602 
1 1 1  -30   32   14 o   51.494   21.360  1025.25  1465.62  1504.36  5933.15  994.116  1512.49   67.265   32.868   51.524   21.562 15.74125 39.30969 
1 1 1  -30   32   15 o   65.799   24.028  2664.57  1670.73 -5197.6240  6340.37  3251.23  1731.94   54.809   27.796   71.792   24.630 -16.98324 37.13837 
1 1 1  -30   32   16 o   94.965   26.707  6347.08  2145.57  2389.46  7185.52  6734.48  2248.13   58.129   29.492   96.712   27.387 -38.58253 40.24712 
1 1 1  -30   34    1 o   47.558   21.099 -246.5616  1623.43   0.0000   0.0000 -246.5616  1623.43  ?   ?    47.558   21.099 0.000000 21.09905 
1 1 1  -30   34    2 o  280.945   25.466 36893.16  5746.21   0.0000   0.0000 36893.16  5746.21  ?   ?   280.945   25.466 0.000000 25.46637 
1 1 1  -30   34    3 o  194.675   23.378 17495.04  3621.47   0.0000   0.0000 17495.04  3621.47  ?   ?   194.675   23.378 0.000000 23.37807 
1 1 1  -30   34    4 o  186.409   23.818 16209.43  3522.69   0.0000   0.0000 16209.43  3522.69  ?   ?   186.409   23.818 0.000000 23.81844 
1 1 1  -30   34    5 o  138.889   25.461  9303.25  2765.48   0.0000   0.0000  9303.25  2765.48  ?   ?   138.889   25.461 0.000000 25.46084 
1 1 1  -30   34    6 o  156.383   23.002 11521.45  2833.53 29450.25  8659.57  9371.66  2998.60  198.546   52.800  136.349   28.022 62.19699 59.77509 
1 1 1  -30   34    7 o  168.066   22.724 13381.61  3021.49 10367.29  7970.85 13887.43  3265.17  110.050   47.845  169.436   24.440 -59.38643 53.72595 
1 1 1  -30   34    8 o   80.224   25.458  3273.79  1862.41  9598.54  6253.44  2658.19  1950.94  108.687   44.501   73.433   26.072 35.25475 51.57656 
1 1 1  -30   34    9 o   68.468   24.622  2286.47  1745.24 -1643.3070  6985.72  2548.08  1802.39   73.845   35.991   71.311   25.088 2.534119 43.87228 
1 1 1  -30   34   10 o  184.904   23.309 17160.90  3421.74 24029.24  9240.86 16069.56  3683.57  129.978   53.751  173.576   27.015 -43.59813 60.15816 
1 1 1  -30   34   11 o   50.391   21.909  530.671  1671.67  2636.46  7057.31  405.496  1720.64   75.217   36.550   49.964   21.963 25.25259 42.64166 
1 1 1  -30   34   12 o   63.021   24.355  2138.23  1769.93 -10115.4902  7526.95  2855.44  1820.99   57.449   29.249   70.109   25.157 -12.66067 38.57937 
1 1 1  -30   34   13 f   60.802   24.129  2122.24  1776.52 -16.2029  7960.60  2234.32  1822.48   63.311   31.998   61.775   24.463 1.536415 40.27830 
1 1 1  -30   34   14 o   54.858   23.034  1706.10  1735.10 -4132.5449  9611.34  1902.79  1764.08   57.001   29.297   56.452   23.427 0.5496101 37.51157 
1 1 1  -30   36    1 o  105.810   32.444  6267.27  3052.23   0.0000   0.0000  6267.27  3052.23  ?   ?   105.810   32.444 0.000000 32.44439 
1 1 1  -30   36    2 o   51.781   23.709 -651.2827  2244.54   0.0000   0.0000 -651.2827  2244.54  ?   ?    51.781   23.709 0.000000 23.70851 
1 1 1  -30   36    3 o   89.058   30.014  4294.12  2571.25   0.0000   0.0000  4294.12  2571.25  ?   ?    89.058   30.014 0.000000 30.01389 
1 1 1  -30   36    4 o   63.625   25.902  1515.71  2103.24   0.0000   0.0000  1515.71  2103.24  ?   ?    63.625   25.902 0.000000 25.90156 
1 1 1  -30   36    5 o  109.034   29.745  6595.52  2706.41   0.0000   0.0000  6595.52  2706.41  ?   ?   109.034   29.745 0.000000 29.74470 
1 1 1  -30   36    6 o   78.417   28.231  3329.75  2294.93   0.0000   0.0000  3329.75  2294.93  ?   ?    78.417   28.231 0.000000 28.23104 
1 1 1  -30   36    7 o  125.122   30.166  9006.60  3028.99  9147.25  9686.66  8991.35  3188.91   90.860   43.830  122.665   31.765 -31.80514 54.13055 
1 1 1  -30   36    8 o   81.926   29.481  4086.82  2502.39  6797.98 10296.95  3916.65  2579.72   83.039   41.099   80.142   29.755 2.897644 50.73947 
1 1 1  -30   36    9 o  114.800   29.081  7979.81  2713.87 12622.81  9797.47  7593.96  2824.39   86.148   42.125  109.184   30.620 -23.03528 52.07779 
1 1 1  -30   36   10 o  103.326   29.702  7030.48  2624.59 16659.31 11835.25  6532.46  2691.61   80.533   40.487   97.352   30.570 -16.81922 50.73183 
1 1 1  -30   36   11 f   93.345   30.367  6465.72  2638.03 22422.83 10888.10  5470.59  2719.04   80.683   40.310   83.324   30.618 -2.641792 50.61999 
1 1 1  -30   36   12 o   50.635   22.732  1006.67  1943.50 -1642.8120 10389.94  1102.73  1978.42   58.658   30.152   51.338   22.999 7.320049 37.92228 
1 1 1  -30   38    1 o   71.774   30.187  2608.17  2987.99   0.0000   0.0000  2608.17  2987.99  ?   ?    71.774   30.187 0.000000 30.18665 
1 1 1  -30   38    2 o   75.033   31.286  3177.76  3167.80   0.0000   0.0000  3177.76  3167.80  ?   ?    75.033   31.286 0.000000 31.28603 
1 1 1  -30   38    3 o   93.257   32.595  5766.01  3040.15   0.0000   0.0000  5766.01  3040.15  ?   ?    93.257   32.595 0.000000 32.59547 
1 1 1  -30   38    4 o  103.621   33.644  7376.55  3238.68   0.0000   0.0000  7376.55  3238.68  ?   ?   103.621   33.644 0.000000 33.64388 
1 1 1  -30   38    5 o   75.636   30.110  3650.05  2774.28   0.0000   0.0000  3650.05  2774.28  ?   ?    75.636   30.110 0.000000 30.10991 
1 1 1  -30   38    6 o   50.514   23.329 -91.5455  2239.55   0.0000   0.0000 -91.5455  2239.55  ?   ?    50.514   23.329 0.000000 23.32871 
1 1 1  -30   38    7 o   34.149   16.877 -2768.2939  1714.29   0.0000   0.0000 -2768.2939  1714.29  ?   ?    34.149   16.877 0.000000 16.87740 
1 1 1  -30   38    8 o   94.661   32.557  7248.50  3027.12  8530.83 14693.40  7191.66  3093.48   68.584   35.286   93.167   32.857 -24.58323 48.21527 
1 1 1  -30   38    9 o   45.836   21.481 -117.8981  2011.54 10616.58 13679.46 -355.1423  2033.65   65.444   33.690   44.952   21.232 20.49231 39.82182 
1 1 1  -30   40    1 o   61.085   29.071  1233.51  3953.36   0.0000   0.0000  1233.51  3953.36  ?   ?    61.085   29.071 0.000000 29.07071 
1 1 1  -30   40    2 o   79.043   33.284  5766.59  3639.67   0.0000   0.0000  5766.59  3639.67  ?   ?    79.043   33.284 0.000000 33.28390 
1 1 1  -30   40    3 o   85.457   35.117  7544.90  3911.60   0.0000   0.0000  7544.90  3911.60  ?   ?    85.457   35.117 0.000000 35.11662 
1 1 1  -30   40    4 o   67.616   29.988  3720.03  3277.00   0.0000   0.0000  3720.03  3277.00  ?   ?    67.616   29.988 0.000000 29.98835 
1 1 1  -30   40    5 o   76.869   33.591  6821.08  3972.71   0.0000   0.0000  6821.08  3972.71  ?   ?    76.869   33.591 0.000000 33.59112 
1 1 1  -29    1    5 o  479.773   19.164 93674.79  7465.54 85161.10 12978.59 97884.76  9126.59  454.794   35.425  490.182   22.930 -35.38828 42.19907 
1 1 1  -29    1    6 o  327.099   13.305 43487.42  3533.84 43563.52  6153.40 43449.97  4316.66  326.167   23.390  326.866   16.264 -0.6993408 28.48903 
1 1 1  -29    1    7 o  1492.52  108.748 981185.88 130883.00 981185.88 130883.00   0.0000   0.0000  1492.52  108.748  ?   ?  0.000000 108.7484 
1 1 1  -29    1    8 o  623.761   24.224 158699.09 12268.75 153483.20 21208.43 161322.50 15040.88  608.882   43.178  628.190   29.488 -19.30774 52.28651 
1 1 1  -29    1    9 f  452.161   15.432 83216.98  5665.83 84062.48  8011.21 82370.83  8014.19  453.879   21.738  449.264   21.969 4.614532 30.90627 
1 1 1  -29    1   10 o  473.175   16.068 91268.35  6173.19 91655.40  8726.71 90880.68  8733.71  473.219   22.712  471.195   22.828 2.023651 32.20126 
1 1 1  -29    1   11 o  180.178   7.3551 13195.54  1076.04 13223.83  1519.64 13167.08  1523.88  179.962   10.445  179.569   10.497 0.3930969 14.80820 
1 1 1  -29    1   12 f  621.208   21.109 158492.09 10647.24 156401.50 15050.95 160586.41 15064.02  613.405   30.219  621.738   29.840 -8.333069 42.46872 
1 1 1  -29    1   13 o  136.560   6.4523  7580.56  715.441  8066.71  1003.69  7078.40  1020.08  140.517   8.8420  131.509   9.6198 9.007721 13.06605 
1 1 1  -29    1   14 o  329.401   11.993 44277.67  3207.73 43792.62  4528.46 44766.14  4544.42  326.285   17.153  329.933   17.021 -3.648865 24.16521 
1 1 1  -29    1   15 f  249.192   9.4666 25306.90  1915.43 25432.64  2704.30 25180.32  2713.38  248.977   13.427  247.713   13.542 1.263351 19.06961 
1 1 1  -29    1   16 o  342.088   12.162 47872.41  3378.11 47345.58  4770.56 48402.25  4784.19  338.429   17.420  342.245   17.272 -3.816254 24.53079 
1 1 1  -29    1   17 o  199.830   8.1857 16282.38  1328.17 15366.30  1864.28 17226.58  1892.67  193.298   11.936  204.811   11.427 -11.51323 16.52412 
1 1 1  -29    1   18 o  331.672   12.360 45289.34  3328.55 45371.31  4704.53 45207.18  4710.04  329.166   17.667  328.537   17.722 0.6291199 25.02348 
1 1 1  -29    1   19 o   81.106   7.0847  2709.48  461.884  2804.76  639.037  2605.25  668.355   82.010   9.7901   78.786   10.727 3.224487 14.52257 
1 1 1  -29    1   20 f  146.090   7.6873  8787.81  908.660  8716.29  1263.78  8864.35  1307.41  144.497   10.851  145.617   11.142 -1.120651 15.55265 
1 1 1  -29    1   21 o   80.941   8.0418  2728.73  521.524  2373.03  767.508  3033.83  710.840   73.824   13.293   84.652   10.572 -10.82787 16.98463 
1 1 1  -29    1   22 o   45.985   11.983  931.579  451.961  642.834  608.313  1287.37  675.256   40.698   14.547   53.518   14.959 -12.81985 20.86580 
1 1 1  -29    1   23 o   65.463   9.9023  1847.95  509.896  1802.60  698.138  1899.80  746.492   62.969   14.015   64.419   14.608 -1.450256 20.24402 
1 1 1  -29    1   24 o   54.648   11.501  1345.18  494.180  1630.62  624.138  865.536  809.062   59.458   13.265   45.046   16.675 14.41199 21.30803 
1 1 1  -29    1   25 o   34.399   13.200  449.915  517.203  1139.85  677.291 -515.2321  801.062   48.005   15.365   28.919   13.554 19.08651 20.48890 
1 1 1  -29    1   26 o   20.016   9.3844 -296.8667  384.595 -55.5491  499.440 -648.4393  602.832   25.796   11.556   22.971   11.044 2.825207 15.98470 
1 1 1  -29    3    1 o  300.369   18.888 36860.46  4583.24 52589.04  6306.72 19256.92  6672.04  358.685   21.758  213.275   39.998 145.4105 45.53255 
1 1 1  -29    3    3 o  679.356   47.015 191015.59 25774.51 191015.59 25774.51   0.0000   0.0000  679.356   47.015  ?   ?  0.000000 47.01468 
1 1 1  -29    3    4 f  652.003   30.888 173666.59 16352.04 186436.41 23168.03 160990.70 23082.76  672.352   42.659  623.805   45.895 48.54712 62.65847 
1 1 1  -29    3    5 o  528.005   20.321 113482.10  8711.91 130178.60 15149.44 105232.50 10648.85  563.309   33.269  507.377   25.935 55.93237 42.18378 
1 1 1  -29    3    6 o  934.042   36.736 357279.59 27861.17 336698.81 48309.39 367536.50 34104.33  895.548   66.920  945.469   44.425 -49.92114 80.32307 
1 1 1  -29    3    7 o  244.218   12.992 24310.89  2567.09 21715.81  3653.66 26840.96  3607.61  230.124   19.745  256.263   17.442 -26.13872 26.34526 
1 1 1  -29    3    8 o  669.959   32.252 183813.50 17544.81   0.0000   0.0000 183813.50 17544.81  ?   ?   669.959   32.252 0.000000 32.25243 
1 1 1  -29    3    9 o  541.390   18.660 119476.20  8202.61 121593.70 11589.83 117351.10 11610.68  545.103   26.185  535.424   26.707 9.679260 37.40228 
1 1 1  -29    3   10 o  946.870   31.604 370096.09 24298.07 368716.59 34352.47 371477.41 34372.86  937.093   45.148  940.696   45.002 -3.602478 63.74538 
1 1 1  -29    3   11 o  441.419   17.584 79659.52  6302.24 87431.69 10946.85 75806.36  7707.73  458.661   29.551  429.174   22.194 29.48758 36.95767 
1 1 1  -29    3   12 o  122.174   7.1938  6089.29  710.484  6809.58  847.776  4389.74  1302.24  129.143   8.1263  102.401   16.201 26.74246 18.12501 
1 1 1  -29    3   13 o  296.801   10.524 35885.47  2536.28 35850.05  3572.36 35921.48  3601.50  295.778   14.923  296.053   15.031 -0.2753906 21.18111 
1 1 1  -29    3   14 o  190.703   7.8336 14797.65  1212.99 15094.99  1702.68 14491.24  1728.46  192.096   10.962  188.148   11.367 3.947769 15.79177 
1 1 1  -29    3   15 o  152.845   6.9256  9504.27  859.503  9934.78  1202.61  9054.76  1228.86  155.833   9.5505  148.656   10.243 7.177719 14.00493 
1 1 1  -29    3   16 o  114.464   6.5734  5348.71  608.374  4553.02  837.460  6237.85  885.271  105.168   9.9245  123.382   8.8963 -18.21416 13.32814 
1 1 1  -29    3   17 o  204.015   8.2950 16975.46  1374.10 16324.99  1926.05 17649.73  1960.98  199.230   11.962  207.239   11.702 -8.008636 16.73337 
1 1 1  -29    3   18 o  121.430   7.1060  6035.46  697.578  6083.32  916.478  5969.54  1075.55  121.551   9.3579  120.048   11.162 1.503067 14.56570 
1 1 1  -29    3   19 o  223.016   8.8932 20422.92  1610.39 18141.46  2237.38 22875.44  2319.73  208.353   13.295  234.555   12.223 -26.20219 18.05919 
1 1 1  -29    3   20 o   51.620   9.0911  1130.44  367.124  1391.53  469.707  720.518  588.551   57.070   10.524   42.479   14.359 14.59103 17.80304 
1 1 1  -29    3   21 o   89.014   7.6005  3287.58  544.075  3075.39  759.370  3511.40  779.918   84.978   11.285   91.073   10.754 -6.095070 15.58834 
1 1 1  -29    3   22 o   55.213   10.101  1315.87  436.172  1501.59  554.851  1015.45  705.673   58.441   12.092   48.322   15.705 10.11893 19.82070 
1 1 1  -29    3   23 o  123.739   8.4944  6439.37  848.280  6323.37  1167.43  6569.11  1234.69  120.519   12.093  122.517   12.591 -1.997833 17.45753 
1 1 1  -29    3   24 o  102.479   8.6595  4478.56  713.805  4870.62  938.716  3941.09  1099.09  105.293   11.149   91.664   15.307 13.62851 18.93709 
1 1 1  -29    3   25 o   99.932   9.4586  4383.33  758.354  3974.84  988.786  4966.84  1181.79   91.534   13.727  101.322   14.801 -9.787750 20.18710 
1 1 1  -29    3   26 o   58.242   11.396  1622.95  519.650  2277.86  650.348  466.431  864.233   68.608   12.117   37.073   15.935 31.53509 20.01864 
1 1 1  -29    5    1 o  339.614   25.367 47275.65  6944.55   0.0000   0.0000 47275.65  6944.55  ?   ?   339.614   25.367 0.000000 25.36687 
1 1 1  -29    5    2 o  296.890   14.547 35833.59  3506.74 41009.09  5002.81 30834.42  4916.85  316.836   19.542  274.257   22.272 42.57907 29.62986 
1 1 1  -29    5    3 o  971.718   67.697 396251.19 53079.53 396251.19 53079.53   0.0000   0.0000  971.718   67.697  ?   ?  0.000000 67.69712 
1 1 1  -29    5    4 o  478.059   23.214 93098.34  9010.91 94840.18 12753.30 91361.92 12733.43  480.594   32.879  471.559   33.474 9.034424 46.92045 
1 1 1  -29    5    5 o  860.470   41.360 303847.19 28896.94 287911.09 40875.70 319768.91 40857.21  830.300   61.059  876.515   57.731 -46.21442 84.03013 
1 1 1  -29    5    6 o  1538.79  112.406 1045763.00 139474.09 1045763.00 139474.09   0.0000   0.0000  1538.79  112.406  ?   ?  0.000000 112.4064 
1 1 1  -29    5    7 o  128.881   6.7352  6764.19  702.365  8091.38  1247.94  6148.87  849.723  140.681   11.013  122.734   8.5805 17.94715 13.96097 
1 1 1  -29    5    8 o  476.945   23.389 92824.34  9057.71   0.0000   0.0000 92824.34  9057.71  ?   ?   476.945   23.389 0.000000 23.38900 
1 1 1  -29    5    9 o  369.648   14.934 55637.73  4482.22 61169.60  7802.51 52913.05  5475.92  385.766   25.045  359.686   18.815 26.07950 31.32545 
1 1 1  -29    5   10 o  486.318   17.184 96546.89  6785.50 105734.70  9584.52 87314.31  9607.82  507.777   23.247  460.200   25.816 47.57678 34.74039 
1 1 1  -29    5   11 o  201.806   7.8908 16558.60  1292.98 18007.99  1820.87 15084.45  1836.35  210.050   10.712  192.075   11.832 17.97528 15.96066 
1 1 1  -29    5   12 o  441.002   18.173 79672.75  6507.20 80191.38  7958.38 78626.63 11302.94  440.893   22.303  432.777   32.400 8.115906 39.33475 
1 1 1  -29    5   13 o  161.049   6.8832 10545.85  900.092  9767.13  1254.90 11370.97  1291.75  154.533   10.056  166.841   9.5755 -12.30782 13.88560 
1 1 1  -29    5   14 o  324.947   11.708 43089.55  3089.22 43447.54  4350.31 42725.39  4387.57  325.056   16.537  322.264   16.826 2.791718 23.59222 
1 1 1  -29    5   15 o  179.657   7.4342 13136.48  1084.47 11891.38  1505.82 14478.20  1563.15  170.338   10.945  188.120   10.272 -17.78186 15.01071 
1 1 1  -29    5   16 o  213.238   8.1527 18527.08  1411.58 17129.20  1968.21 20007.61  2025.57  204.278   11.918  220.940   11.329 -16.66217 16.44342 
1 1 1  -29    5   17 o  240.175   9.1819 23557.75  1790.60 23370.89  2515.81 23749.59  2549.09  238.159   13.060  240.068   13.127 -1.909637 18.51674 
1 1 1  -29    5   18 o   93.743   6.8108  3603.38  514.875  3083.67  675.924  4321.78  794.699   86.182   9.8354  102.238   9.6888 -16.05578 13.80607 
1 1 1  -29    5   19 o  171.966   8.0211 12124.33  1120.00 12835.62  1557.13 11361.90  1612.14  175.876   10.958  165.030   12.116 10.84581 16.33629 
1 1 1  -29    5   20 o   47.715   8.7712  967.353  327.300  929.649  381.191  1073.14  638.505   46.459   10.368   49.826   14.745 -3.367470 18.02523 
1 1 1  -29    5   21 o  120.402   7.8407  6006.57  762.348  6153.82  1007.79  5809.60  1165.59  120.981   10.359  116.619   12.505 4.362167 16.23805 
1 1 1  -29    5   22 o   60.651   9.5693  1574.26  455.630  1742.44  553.316  1220.00  803.038   63.339   11.167   52.307   16.730 11.03247 20.11413 
1 1 1  -29    5   23 o   36.132   11.823  552.010  399.636  459.562  472.141  785.599  750.498   34.968   12.772   44.036   16.100 -9.067570 20.55131 
1 1 1  -29    5   24 o   72.285   9.3168  2264.02  534.098  2095.80  635.824  2667.24  984.383   68.196   11.916   73.835   16.798 -5.638847 20.59548 
1 1 1  -29    5   25 o   50.729   11.735  1206.19  473.757  813.208  556.960  2234.68  901.032   41.458   13.969   65.421   16.857 -23.96350 21.89290 
1 1 1  -29    5   26 o   31.885   14.393   42.700  791.471   0.0000   0.0000   42.700  791.471  ?   ?    31.885   14.393 0.000000 14.39265 
1 1 1  -29    7    1 f  515.131   36.583 109120.50 15201.89   0.0000   0.0000 109120.50 15201.89  ?   ?   515.131   36.583 0.000000 36.58264 
1 1 1  -29    7    3 o  1296.34   92.016 720380.19 96225.65 720380.19 96225.65   0.0000   0.0000  1296.34   92.016  ?   ?  0.000000 92.01620 
1 1 1  -29    7    4 o  1122.27   54.107 520618.19 49304.80 489927.00 69733.52 551298.81 69721.50  1074.49   80.514  1143.02   75.550 -68.52686 110.4092 
1 1 1  -29    7    5 o  249.811   13.167 25434.54  2661.32 25081.41  3767.14 25786.38  3760.23  247.552   18.884  251.058   18.578 -3.506683 26.49051 
1 1 1  -29    7    6 o  844.705   40.645 293110.59 27877.47 274181.91 39429.13 312030.69 39420.26  809.190   60.447  865.154   56.425 -55.96460 82.69005 
1 1 1  -29    7    7 o  282.254   12.766 32388.93  2925.77 17280.53  5109.59 39759.07  3568.74  203.008   32.063  312.677   14.057 -109.6691 35.00863 
1 1 1  -29    7    8 f  412.763   20.010 69488.33  6706.37   0.0000   0.0000 69488.33  6706.37  ?   ?   412.763   20.010 0.000000 20.01005 
1 1 1  -29    7    9 o  205.437   9.5210 17159.25  1588.17 12924.50  2806.57 19154.06  1926.25  176.767   19.900  216.721   10.982 -39.95462 22.72946 
1 1 1  -29    7   10 o  339.132   14.152 46891.91  3896.92 43969.34  6796.81 48323.11  4756.33  325.784   25.908  343.940   17.031 -18.15616 31.00498 
1 1 1  -29    7   11 f  392.214   15.957 62854.58  5081.72 68446.05  8844.61 60099.16  6208.83  406.042   26.980  382.301   20.072 23.74075 33.62769 
1 1 1  -29    7   12 o  379.213   19.197 59149.17  5891.71 58278.64  8372.67 60003.04  8292.19  373.770   27.787  379.538   27.085 -5.768341 38.80372 
1 1 1  -29    7   13 o  340.691   12.640 47376.01  3496.60 47917.77  4928.38 46826.91  4961.66  341.276   17.847  337.273   18.185 4.002960 25.47982 
1 1 1  -29    7   14 o  260.079   9.7212 27564.40  2052.87 26794.28  2881.25 28358.44  2925.66  255.543   13.939  262.954   13.750 -7.410782 19.57963 
1 1 1  -29    7   15 o  409.689   14.165 68792.47  4712.21 65945.64  6643.99 71673.97  6684.33  398.529   20.602  416.319   19.774 -17.79037 28.55642 
1 1 1  -29    7   16 o  353.303   12.867 51161.22  3691.09 50530.17  5200.08 51802.02  5240.14  348.930   18.419  353.344   18.327 -4.414429 25.98396 
1 1 1  -29    7   17 o  112.301   6.6859  5155.70  606.890  5429.75  809.595  4804.16  916.936  114.983   8.7368  107.808   10.613 7.175957 13.74619 
1 1 1  -29    7   18 o  267.473   10.304 29399.34  2237.73 28033.70  3130.05 30827.03  3200.38  259.074   14.943  271.908   14.549 -12.83475 20.85550 
1 1 1  -29    7   19 o   34.044   10.006  486.638  294.902  371.488  338.628  848.148  600.001   31.446   10.885   45.262   14.459 -13.81557 18.09834 
1 1 1  -29    7   20 o   30.772   9.7517  387.149  273.332  396.836  321.470  361.874  519.276   31.725   10.613   34.602   13.238 -2.877485 16.96719 
1 1 1  -29    7   21 o   96.425   7.8474  3864.50  609.072  4639.02  784.511  2689.30  966.356  105.243   9.2753   77.470   15.896 27.77362 18.40393 
1 1 1  -29    7   22 o   59.054   9.7335  1498.89  450.454  1765.82  533.367  834.875  841.215   63.889   10.657   46.193   17.022 17.69528 20.08280 
1 1 1  -29    7   23 o   19.097   9.0031 -373.3183  362.589 -236.7438  421.891 -759.2825  709.233   22.600   10.322   25.985   12.351 -3.384533 16.09577 
1 1 1  -29    7   24 o   15.799   7.6467 -464.0794  301.000 -548.5462  326.844   7.5518  772.323   16.057   7.8172   33.359   14.688 -17.30142 16.63867 
1 1 1  -29    7   25 f   70.093   10.458  2227.34  576.991  1651.92  655.078  4218.52  1218.58   57.758   14.093   89.677   17.363 -31.91967 22.36236 
1 1 1  -29    7   26 o   26.690   12.764 -594.2800  781.698   0.0000   0.0000 -594.2800  781.698  ?   ?    26.690   12.764 0.000000 12.76362 
1 1 1  -29    9    1 o  1135.04   79.983 545213.12 73242.48   0.0000   0.0000 545213.12 73242.48  ?   ?   1135.04   79.983 0.000000 79.98347 
1 1 1  -29    9    2 f  450.070   22.661 82700.27  8254.67 78434.56 11788.44 86804.09 11562.58  436.801   33.493  460.012   31.140 -23.21027 45.73248 
1 1 1  -29    9    3 o  872.429   42.870 312571.91 30368.28 282234.31 43019.00 342707.81 42875.84  820.563   65.101  907.309   58.511 -86.74567 87.53164 
1 1 1  -29    9    4 o  1660.01  123.234 1236370.00 164919.09 1236370.00 164919.09   0.0000   0.0000  1660.01  123.234  ?   ?  0.000000 123.2343 
1 1 1  -29    9    5 o  351.861   18.028 50514.38  5133.34 42721.45  7293.13 58165.81  7226.61  322.247   28.156  376.997   23.729 -54.74948 36.82150 
1 1 1  -29    9    6 o  671.098   32.751 184540.41 17846.36 164802.50 25268.02 204186.50 25209.20  628.538   49.922  701.872   44.464 -73.33313 66.85278 
1 1 1  -29    9    7 o  528.424   25.908 114215.50 11116.28 105109.60 15744.28 123267.20 15697.41  503.171   38.837  546.052   35.599 -42.88110 52.68377 
1 1 1  -29    9    8 o  418.080   19.666 71373.23  6675.86   0.0000   0.0000 71373.23  6675.86  ?   ?   418.080   19.666 0.000000 19.66572 
1 1 1  -29    9    9 o  997.380   40.017 416601.19 32407.26 434116.59 56200.55 407875.91 39666.12  984.828   70.753  977.304   50.155 7.524231 86.72697 
1 1 1  -29    9   10 o  461.572   18.143 87173.34  6799.65 104894.60 11850.02 78474.27  8302.49  502.433   29.173  436.172   23.530 66.26123 37.47943 
1 1 1  -29    9   11 o  307.004   13.061 38440.53  3255.93 34210.93  5710.43 40477.89  3963.27  286.914   24.754  314.739   15.508 -27.82523 29.21105 
1 1 1  -29    9   12 o  442.195   17.836 80167.02  6403.98 80520.22 11155.80 79993.42  7820.99  437.590   31.610  440.637   21.860 -3.047028 38.43234 
1 1 1  -29    9   13 o  371.935   15.323 56639.40  4627.68 56945.60  8092.96 56490.65  5640.89  368.683   27.227  370.194   18.828 -1.510681 33.10316 
1 1 1  -29    9   14 o  190.083   9.1165 14720.86  1407.05 16691.19  2520.99 13829.37  1695.75  201.142   15.557  183.703   11.425 17.43907 19.30149 
1 1 1  -29    9   15 o  139.703   8.3172  7979.44  939.188  8225.72  1704.62  7872.10  1125.41  140.735   15.156  138.530   10.074 2.204971 18.19899 
1 1 1  -29    9   16 o  103.032   6.7565  4340.61  562.109  5254.16  738.283  3080.64  867.033  113.243   8.0823   85.744   12.849 27.49866 15.17988 
1 1 1  -29    9   17 o   25.709   9.1310  232.817  239.305  699.656  275.897 -1185.2740  480.857   40.620   8.6313   17.531   8.7120 23.08894 12.26370 
1 1 1  -29    9   18 o  146.058   7.2338  8720.46  857.885  8659.73  1177.36  8789.21  1252.60  144.747   10.080  145.678   10.664 -0.9308014 14.67417 
1 1 1  -29    9   19 o   72.885   7.6924  2203.40  448.365  2107.35  551.164  2391.30  770.942   70.778   9.8582   74.555   13.219 -3.777176 16.49029 
1 1 1  -29    9   20 o  124.756   7.6642  6429.69  772.612  6154.22  1026.24  6790.09  1173.85  121.117   10.540  126.876   11.520 -5.758850 15.61454 
1 1 1  -29    9   21 o   82.790   7.9825  2860.99  529.957  2741.76  659.033  3079.19  891.531   80.290   10.350   83.901   13.548 -3.610397 17.04937 
1 1 1  -29    9   22 o  122.833   8.0618  6305.84  799.593  6189.67  1032.95  6479.53  1263.03  120.412   10.676  121.842   12.966 -1.430176 16.79538 
1 1 1  -29    9   23 o   25.047   10.274  114.685  334.065  163.371  357.586 -219.2929  936.567   26.637   10.739   34.835   15.697 -8.198915 19.01859 
1 1 1  -29    9   24 o  102.918   9.1913  4585.68  759.997  4742.49  914.692  4236.08  1365.78  103.259   11.083   90.133   19.247 13.12646 22.21011 
1 1 1  -29    9   25 o   87.207   9.1530  3373.20  638.445  2859.88  746.512  4771.18  1231.95   77.780   12.224   95.832   16.423 -18.05206 20.47302 
1 1 1  -29   11    1 o  599.489   29.491 146765.20 14355.28   0.0000   0.0000 146765.20 14355.28  ?   ?   599.489   29.491 0.000000 29.49117 
1 1 1  -29   11    2 o  1129.72   55.155 529166.12 50593.17 560374.19 71499.94 497871.09 71599.26  1148.96   77.088  1079.43   82.312 69.53210 112.7735 
1 1 1  -29   11    3 o  751.007   34.717 231039.30 21170.04 261360.20 30064.59 201220.09 29814.90  794.569   46.807  694.789   53.255 99.77972 70.90108 
1 1 1  -29   11    4 o  176.507   10.534 12704.97  1502.88 13871.17  2229.16 11733.17  2034.90  184.059   15.047  169.187   14.967 14.87277 21.22359 
1 1 1  -29   11    5 o  242.835   13.053 24049.11  2564.30 25371.26  3697.96 22824.47  3558.98  248.900   18.429  235.971   18.729 12.92892 26.27532 
1 1 1  -29   11    6 o  714.577   35.553 210481.50 20628.40 183303.00 29236.75 237424.09 29109.59  657.813   55.250  752.947   47.862 -95.13428 73.09811 
1 1 1  -29   11    7 o  362.996   18.275 53905.11  5369.19 56235.62  7649.97 51642.55  7537.62  369.439   25.661  353.796   26.430 15.64328 36.83797 
1 1 1  -29   11    8 o  287.845   15.137 33879.89  3525.39 33560.42  5042.41 34185.37  4930.78  285.363   21.930  288.157   21.223 -2.793549 30.51816 
1 1 1  -29   11    9 o  326.186   14.076 43393.49  3727.93 41711.73  6581.03 44188.12  4523.73  317.106   25.783  328.381   17.024 -11.27509 30.89628 
1 1 1  -29   11   10 o  350.308   15.199 50118.77  4323.30 46558.52  7611.91 51814.15  5252.77  334.068   28.329  355.257   18.272 -21.18994 33.71043 
1 1 1  -29   11   11 o  271.871   15.157 30302.41  3332.64 24959.16  4843.03 35108.24  4593.03  244.581   24.726  291.814   19.497 -47.23293 31.48843 
1 1 1  -29   11   12 o  193.135   9.1976 15187.01  1442.36 15021.27  2633.05 15258.07  1724.05  190.649   17.194  193.153   11.039 -2.504440 20.43274 
1 1 1  -29   11   13 o  146.620   8.4003  8780.41  995.893  7273.90  1860.41  9385.50  1179.05  131.876   17.831  151.464   9.6371 -19.58850 20.26910 
1 1 1  -29   11   14 o  262.961   11.630 28250.49  2483.21 27395.99  4436.19 28640.41  2996.68  256.167   21.528  264.031   14.028 -7.863861 25.69493 
1 1 1  -29   11   15 o   23.931   10.350 -48.5739  369.086  1963.49  903.054 -452.0768  404.404   67.699   16.564   20.186   9.5140 47.51307 19.10181 
1 1 1  -29   11   16 o  155.939   8.8610  9960.48  1117.33 10874.59  2140.36  9618.06  1309.99  161.253   16.583  152.931   10.615 8.322571 19.68997 
1 1 1  -29   11   17 o  124.152   9.1484  6346.54  915.723  3373.27  1763.73  7443.82  1071.45   87.087   24.117  134.359   9.8908 -47.27274 26.06634 
1 1 1  -29   11   18 o  153.614   10.040  9767.05  1245.35 12206.54  2637.37  9067.04  1412.77  167.520   19.771  147.407   11.905 20.11247 23.07828 
1 1 1  -29   11   19 o  123.218   10.170  6332.68  1008.39  7770.55  2156.99  5930.54  1140.71  131.463   20.907  118.591   12.012 12.87172 24.11236 
1 1 1  -29   11   20 f   55.027   15.218  1344.75  702.793  3338.81  2164.05  1109.64  743.069   82.452   27.536   50.673   16.081 31.77967 31.88780 
1 1 1  -29   11   21 o   48.540   16.198  1012.80  748.822  290.591  1910.72  1143.86  813.932   53.262   23.285   51.153   16.879 2.109234 28.75897 
1 1 1  -29   11   22 o   40.418   10.648  720.163  354.345  839.452  391.927  186.115  829.268   43.530   11.065   37.217   15.791 6.313129 19.28168 
1 1 1  -29   11   23 o   76.079   8.4170  2469.95  511.233  2211.63  605.573  3110.73  953.778   70.817   10.880   81.663   14.934 -10.84664 18.47705 
1 1 1  -29   11   24 o   34.552   15.624 -109.4750  937.527   0.0000   0.0000 -109.4750  937.527  ?   ?    34.552   15.624 0.000000 15.62444 
1 1 1  -29   11   25 o   55.935   20.032  1983.19  1154.03   0.0000   0.0000  1983.19  1154.03  ?   ?    55.935   20.032 0.000000 20.03181 
1 1 1  -29   13    1 f  212.608   18.898 18558.46  3228.44   0.0000   0.0000 18558.46  3228.44  ?   ?   212.608   18.898 0.000000 18.89845 
1 1 1  -29   13    2 o  142.610   16.555  8390.14  1881.31   0.0000   0.0000  8390.14  1881.31  ?   ?   142.610   16.555 0.000000 16.55487 
1 1 1  -29   13    4 o  700.140   49.288 205925.41 27841.08   0.0000   0.0000 205925.41 27841.08  ?   ?   700.140   49.288 0.000000 49.28820 
1 1 1  -29   13    5 o  815.938   58.219 284771.50 38318.08   0.0000   0.0000 284771.50 38318.08  ?   ?   815.938   58.219 0.000000 58.21943 
1 1 1  -29   13    6 o  357.582   25.856 52774.89  7456.43   0.0000   0.0000 52774.89  7456.43  ?   ?   357.582   25.856 0.000000 25.85555 
1 1 1  -29   13    7 o  281.033   20.982 32528.21  4753.43   0.0000   0.0000 32528.21  4753.43  ?   ?   281.033   20.982 0.000000 20.98240 
1 1 1  -29   13    8 o  660.757   32.192 181501.50 17271.34 189488.00 24517.61 173634.09 24334.16  666.005   45.613  636.127   47.454 29.87830 65.82081 
1 1 1  -29   13    9 o  232.014   11.179 21924.14  2105.91 19039.98  3851.27 23154.34  2515.25  214.047   22.496  237.941   13.069 -23.89413 26.01657 
1 1 1  -29   13   10 o  267.763   11.679 29221.77  2539.21 33234.59  4597.69 27460.64  3045.87  283.791   20.082  258.889   14.549 24.90213 24.79855 
1 1 1  -29   13   11 o  195.645   11.451 15659.21  1811.16 15597.26  2747.02 15706.85  2408.88  194.251   17.608  195.361   15.308 -1.109314 23.33198 
1 1 1  -29   13   12 o  116.362   7.8075  5534.39  733.396  3299.71  1491.53  6246.97  842.249   87.694   21.185  123.593   8.4433 -35.89943 22.80512 
1 1 1  -29   13   13 o   21.477   9.3939 -72.3113  311.320  2680.35  853.761 -494.4527  334.341   79.832   13.662   17.169   8.2466 62.66280 15.95821 
1 1 1  -29   13   14 o  113.281   8.3111  5256.31  759.124  3108.33  1563.84  5918.48  868.284   84.879   22.374  120.160   8.9640 -35.28050 24.10295 
1 1 1  -29   13   15 o  235.173   10.987 22629.41  2097.92 21124.41  3856.18 23262.13  2500.33  223.846   21.480  237.726   13.003 -13.88066 25.10902 
1 1 1  -29   13   16 o  176.339   9.7275 12768.81  1387.40 12466.94  2626.96 12885.58  1633.86  171.472   19.197  176.765   11.445 -5.292847 22.34997 
1 1 1  -29   13   17 o   81.654   10.621  2790.46  687.502  1731.54  1411.06  3120.08  787.267   65.093   22.233   86.197   11.538 -21.10410 25.04833 
1 1 1  -29   13   18 o  115.343   10.623  5552.84  983.674  6493.22  2319.01  5346.52  1086.24  118.384   24.914  112.723   12.055 5.660637 27.67706 
1 1 1  -29   13   19 o   48.998   14.453  1041.25  614.334  2152.72  2071.98  934.119  643.258   71.445   26.639   46.991   14.967 24.45417 30.55529 
1 1 1  -29   13   20 o  109.279   10.685  5049.98  936.000  4946.81  2591.36  5065.46  1003.77   96.528   29.944  109.108   11.504 -12.57919 32.07775 
1 1 1  -29   13   21 o   87.445   14.187  3398.09  972.821  4449.67  2300.74  3169.15  1073.51   90.114   28.258   83.190   16.475 6.923553 32.71016 
1 1 1  -29   13   22 o  125.031   13.367  6942.69  1336.05  6275.72  3303.01  7073.17  1460.89   94.773   33.895  125.163   14.652 -30.39021 36.92641 
1 1 1  -29   13   23 o   88.914   20.861  4202.75  1480.10  2537.72  2908.41  4784.67  1719.40   65.136   28.595   92.604   22.977 -27.46832 36.68261 
1 1 1  -29   13   24 o   32.362   15.345 -693.0811  1082.02   0.0000   0.0000 -693.0811  1082.02  ?   ?    32.362   15.345 0.000000 15.34480 
1 1 1  -29   13   25 o   48.425   19.621  1500.52  1200.23   0.0000   0.0000  1500.52  1200.23  ?   ?    48.425   19.621 0.000000 19.62063 
1 1 1  -29   15    1 o  455.323   33.041 85967.23 12132.34   0.0000   0.0000 85967.23 12132.34  ?   ?   455.323   33.041 0.000000 33.04102 
1 1 1  -29   15    2 o  476.732   23.725 93073.27  9183.83 97564.90 13166.45 88817.28 12816.41  484.886   33.650  462.310   34.389 22.57562 48.11345 
1 1 1  -29   15    3 o  855.049   62.560 317409.81 43132.04 317409.81 43132.04   0.0000   0.0000  855.049   62.560  ?   ?  0.000000 62.55994 
1 1 1  -29   15    4 o  693.002   50.276 204828.00 28097.45 204828.00 28097.45   0.0000   0.0000  693.002   50.276  ?   ?  0.000000 50.27583 
1 1 1  -29   15    5 o  447.406   32.999 83460.41 11903.40 83460.41 11903.40   0.0000   0.0000  447.406   32.999  ?   ?  0.000000 32.99947 
1 1 1  -29   15   10 o  143.373   12.139  8444.45  1399.83   0.0000   0.0000  8444.45  1399.83  ?   ?   143.373   12.139 0.000000 12.13851 
1 1 1  -29   15   11 o   80.743   8.5501  2683.50  552.020   0.0000   0.0000  2683.50  552.020  ?   ?    80.743   8.5501 0.000000 8.550060 
1 1 1  -29   15   12 o  458.857   23.347 87680.19  8669.87   0.0000   0.0000 87680.19  8669.87  ?   ?   458.857   23.347 0.000000 23.34713 
1 1 1  -29   15   13 o  516.887   25.738 112046.20 10802.02   0.0000   0.0000 112046.20 10802.02  ?   ?   516.887   25.738 0.000000 25.73779 
1 1 1  -29   15   14 o  151.522   10.254  9422.51  1254.09   0.0000   0.0000  9422.51  1254.09  ?   ?   151.522   10.254 0.000000 10.25364 
1 1 1  -29   15   15 o  214.355   12.604 18955.37  2184.14   0.0000   0.0000 18955.37  2184.14  ?   ?   214.355   12.604 0.000000 12.60443 
1 1 1  -29   15   16 o   54.540   13.200  1280.12  578.253  3587.81  1551.67  907.940  623.141   89.935   21.534   46.874   14.707 43.06159 26.07710 
1 1 1  -29   15   17 o  120.994   9.9950  6076.86  973.147  2761.20  2201.61  6881.96  1084.88   79.662   27.744  128.675   10.475 -49.01282 29.65566 
1 1 1  -29   15   18 o  219.452   11.605 20140.66  2060.46 17204.56  3957.42 21232.59  2413.37  191.956   26.065  224.315   13.310 -32.35982 29.26636 
1 1 1  -29   15   19 o   72.906   12.672  2303.62  722.946  5752.57  1999.44  1784.91  775.407  110.215   23.082   63.246   15.272 46.96910 27.67695 
1 1 1  -29   15   20 o   74.826   15.866  2534.25  934.077  3350.69  2191.66  2353.03  1032.55   80.622   27.704   71.219   17.882 9.402344 32.97359 
1 1 1  -29   15   21 o   46.805   16.948  904.364  828.657 -2012.4060  2256.03  1359.25  890.934   44.756   21.477   54.357   17.646 -9.600674 27.79635 
1 1 1  -29   15   22 o   27.873   13.042 -565.7026  736.215 -2609.2749  1935.69 -220.0908  796.039   37.902   18.574   32.033   14.449 5.869625 23.53226 
1 1 1  -29   15   23 o   39.610   17.946 -29.5136  1243.85 -1540.5840  2266.62  621.623  1487.90   42.967   20.841   46.723   20.484 -3.755802 29.22195 
1 1 1  -29   15   24 o   44.950   19.500  887.158  1318.27   0.0000   0.0000  887.158  1318.27  ?   ?    44.950   19.500 0.000000 19.49972 
1 1 1  -29   17    1 o  644.547   32.485 172621.59 16946.23   0.0000   0.0000 172621.59 16946.23  ?   ?   644.547   32.485 0.000000 32.48466 
1 1 1  -29   17    2 o  371.483   16.341 56331.28  4928.87 50031.47  8678.76 59330.61  5988.32  346.302   31.200  380.328   19.456 -34.02658 36.76940 
1 1 1  -29   17    3 o  208.855   11.428 17810.73  1930.68 13822.44  3424.51 19669.07  2337.59  181.955   23.745  219.314   13.188 -37.35922 27.16192 
1 1 1  -29   17    4 o  212.318   13.376 18445.60  2294.12 17015.87  3451.28 19577.40  3070.71  202.630   21.295  218.173   17.481 -15.54256 27.55122 
1 1 1  -29   17    5 o  641.949   46.463 176524.80 24054.71   0.0000   0.0000 176524.80 24054.71  ?   ?   641.949   46.463 0.000000 46.46302 
1 1 1  -29   17    6 o  519.162   26.978 111705.00 11333.27 102087.00 16219.30 120881.50 15842.67  489.636   41.179  535.586   36.650 -45.94995 55.12654 
1 1 1  -29   17    7 o  240.522   13.932 23688.34  2709.14 24359.58  4048.19 23143.88  3645.92  242.679   20.744  236.837   19.122 5.841995 28.21259 
1 1 1  -29   17    8 o  239.799   13.714 23552.22  2659.09 26022.68  3990.02 21578.32  3566.55  250.968   19.740  228.465   19.410 22.50316 27.68383 
1 1 1  -29   17    9 o  552.423   26.758 126850.70 12002.20 139789.41 17176.72 114506.20 16777.66  572.738   37.136  515.932   40.372 56.80634 54.85394 
1 1 1  -29   17   10 o  398.231   18.520 65213.41  5988.33 75472.89  8824.99 56457.94  8152.50  425.210   25.681  366.765   27.578 58.44547 37.68348 
1 1 1  -29   17   11 o  108.292   9.2344  4812.79  804.218  4089.75  1561.21  5073.95  938.286   97.762   20.330  111.039   10.533 -13.27719 22.89680 
1 1 1  -29   17   12 o  256.663   14.940 27126.76  3100.04 24538.41  4756.55 29038.08  4087.39  241.131   24.640  264.404   19.169 -23.27342 31.21846 
1 1 1  -29   17   13 o  149.798   10.443  9212.67  1262.28 10093.41  2191.33  8775.31  1544.21  155.293   17.695  145.691   13.197 9.601868 22.07404 
1 1 1  -29   17   14 o   97.076   11.266  3913.52  871.518  2286.44  1750.92  4449.40  1004.84   74.681   24.761  103.405   12.203 -28.72454 27.60509 
1 1 1  -29   17   15 o  170.729   12.010 12074.30  1654.29 11461.26  2727.02 12431.25  2080.91  162.997   21.100  172.292   15.025 -9.295898 25.90308 
1 1 1  -29   17   16 o  145.871   12.690  8905.53  1488.05  6185.46  2553.17 10304.79  1831.21  115.072   27.666  156.262   14.602 -41.18977 31.28338 
1 1 1  -29   17   17 o  164.529   15.934 11608.52  2102.03   0.0000   0.0000 11608.52  2102.03  ?   ?   164.529   15.934 0.000000 15.93428 
1 1 1  -29   17   18 o  211.041   18.817 19712.93  3190.65   0.0000   0.0000 19712.93  3190.65  ?   ?   211.041   18.817 0.000000 18.81712 
1 1 1  -29   17   19 o   97.543   17.912  4325.49  1366.35   0.0000   0.0000  4325.49  1366.35  ?   ?    97.543   17.912 0.000000 17.91156 
1 1 1  -29   17   20 o   89.133   21.940  3925.73  1577.16   0.0000   0.0000  3925.73  1577.16  ?   ?    89.133   21.940 0.000000 21.93983 
1 1 1  -29   17   21 o   71.812   23.495  2740.84  1578.36   0.0000   0.0000  2740.84  1578.36  ?   ?    71.812   23.495 0.000000 23.49519 
1 1 1  -29   19    1 o  376.783   20.482 58363.30  6242.51   0.0000   0.0000 58363.30  6242.51  ?   ?   376.783   20.482 0.000000 20.48160 
1 1 1  -29   19    2 o  566.894   23.173 132135.20 10666.69 129623.50 18702.47 133346.09 12985.81  552.182   42.029  567.780   28.168 -15.59802 50.59517 
1 1 1  -29   19    3 o  203.847   11.481 16977.96  1892.51 17097.79  3411.52 16924.69  2274.58  203.072   20.993  203.230   13.867 -0.1580658 25.15939 
1 1 1  -29   19    4 o  182.844   13.768 13715.33  2028.98   0.0000   0.0000 13715.33  2028.98  ?   ?   182.844   13.768 0.000000 13.76756 
1 1 1  -29   19    5 o  253.829   14.847 26403.28  3046.59 28283.15  4591.52 24924.65  4072.14  261.368   21.835  245.517   20.618 15.85060 30.03136 
1 1 1  -29   19    6 o  359.267   19.624 53146.81  5702.81 49897.58  8317.99 56028.74  7833.76  344.844   30.006  366.837   26.478 -21.99338 40.01815 
1 1 1  -29   19    7 o  453.321   22.974 85043.25  8428.81 89739.99 12168.92 80711.86 11686.02  461.292   32.701  437.127   33.172 24.16473 46.58041 
1 1 1  -29   19    8 o  126.860   11.608  6618.76  1182.44  4427.95  1974.08  7844.56  1476.64  101.407   24.294  137.940   13.351 -36.53329 27.72100 
1 1 1  -29   19    9 f  197.860   20.638 16324.02  3266.81 16324.02  3266.81   0.0000   0.0000  197.860   20.638  ?   ?  0.000000 20.63797 
1 1 1  -29   19   10 o  199.298   13.120 16316.44  2111.23 18187.84  3352.02 15085.93  2718.10  208.921   20.004  190.656   17.763 18.26555 26.75232 
1 1 1  -29   19   11 o  133.623   8.6391  7306.17  932.309  5804.37  2368.85  7581.44  1014.16  115.484   25.901  136.052   9.2351 -20.56842 27.49825 
1 1 1  -29   19   12 o  168.102   8.9383 11559.95  1215.62 15061.29  2782.62 10734.11  1351.40  189.876   18.274  161.756   10.343 28.12013 20.99855 
1 1 1  -29   19   13 o  253.912   11.183 26429.54  2305.65 28312.79  4510.86 25763.52  2682.55  258.576   21.685  249.865   13.270 8.711288 25.42305 
1 1 1  -29   19   14 o  293.607   12.533 35585.34  2987.88 41008.01  5747.25 33576.90  3497.71  308.414   23.118  283.706   15.239 24.70746 27.68945 
1 1 1  -29   19   15 o  144.084   9.3029  8566.69  1082.55  7623.55  2581.85  8767.86  1192.43  129.398   25.480  145.550   10.153 -16.15210 27.42869 
1 1 1  -29   19   16 o   49.113   13.510  1043.76  555.606 -93.0793  1866.92  1154.23  581.976   52.374   22.954   51.537   13.680 0.8367729 26.72068 
1 1 1  -29   19   17 o  149.297   10.250  9303.10  1234.98  7873.50  2763.89  9659.73  1380.45  127.115   27.572  151.710   11.287 -24.59539 29.79271 
1 1 1  -29   19   18 o  100.042   10.921  4241.91  872.706  2576.84  2232.97  4542.10  948.116   74.629   27.688  103.329   11.495 -28.70017 29.97937 
1 1 1  -29   19   19 o   98.518   11.255  4158.29  884.159  4910.37  2368.17  4036.48  953.076   95.217   28.447   96.493   12.455 -1.275879 31.05411 
1 1 1  -29   19   20 o   33.598   14.255  127.612  675.760 -478.2816  2570.11  172.610  700.404   53.535   24.818   34.646   14.596 18.88873 28.79145 
1 1 1  -29   19   21 o   77.003   18.842  2984.37  1168.48  4392.07  2640.78  2641.67  1302.97   80.316   30.048   70.619   21.101 9.696579 36.71732 
1 1 1  -29   19   22 o   40.949   17.944  326.448  1140.52 -472.9712  3165.04  445.746  1222.66   51.276   24.813   42.792   18.669 8.483654 31.05167 
1 1 1  -29   19   23 f   45.888   18.988  1084.59  1154.19   0.0000   0.0000  1084.59  1154.19  ?   ?    45.888   18.988 0.000000 18.98814 
1 1 1  -29   21    1 o  213.780   14.744 18753.11  2543.66   0.0000   0.0000 18753.11  2543.66  ?   ?   213.780   14.744 0.000000 14.74405 
1 1 1  -29   21    2 o  279.837   16.842 32161.09  3809.07   0.0000   0.0000 32161.09  3809.07  ?   ?   279.837   16.842 0.000000 16.84236 
1 1 1  -29   21    3 o  458.402   19.838 86298.15  7383.73 85124.57 13028.86 86853.41  8961.83  448.099   36.116  457.998   24.184 -9.898804 43.46537 
1 1 1  -29   21    4 o  345.216   15.365 48735.10  4306.85 51053.12  7629.36 47650.92  5217.73  349.703   27.080  340.201   18.964 9.502045 33.06023 
1 1 1  -29   21    5 o  363.924   20.336 54659.75  5985.21 51369.07  8802.82 57488.87  8162.17  348.839   31.415  370.872   27.296 -22.03241 41.61760 
1 1 1  -29   21    6 o  438.736   23.504 79879.99  8342.57 77193.11 12147.88 82278.32 11477.02  425.442   35.490  441.124   32.267 -15.68225 47.96530 
1 1 1  -29   21    7 o  585.536   30.409 144452.59 14407.78 141611.91 20701.68 147121.20 20064.60  567.375   45.314  580.695   42.857 -13.32043 62.37088 
1 1 1  -29   21    8 o  272.729   24.920 31220.02  5457.50 31220.02  5457.50   0.0000   0.0000  272.729   24.920  ?   ?  0.000000 24.92009 
1 1 1  -29   21    9 o  109.766   13.000  4997.41  1136.15  4563.33  2160.54  5163.33  1335.75  102.474   25.942  111.181   15.194 -8.706459 30.06380 
1 1 1  -29   21   10 o  360.992   19.710 54162.37  5755.29 54978.84  8510.84 53474.42  7812.35  358.655   29.486  354.940   27.317 3.714661 40.19551 
1 1 1  -29   21   11 o  401.000   16.365 66422.04  5328.44 69356.96  9869.77 65214.71  6330.23  400.335   30.595  395.819   19.696 4.516724 36.38649 
1 1 1  -29   21   12 o  186.197   10.610 14252.81  1597.51 10594.05  3666.58 15110.09  1774.82  153.453   30.502  191.536   11.465 -38.08257 32.58505 
1 1 1  -29   21   13 o  164.540   9.4243 11135.66  1253.85 15136.33  3179.75 10399.06  1364.41  187.389   21.275  158.698   10.650 28.69113 23.79220 
1 1 1  -29   21   14 o   55.347   11.499  1312.50  499.899  788.818  2158.04  1342.19  513.877   62.617   25.942   55.947   11.689 6.670185 28.45349 
1 1 1  -29   21   15 o   54.704   12.341  1295.21  535.124  859.270  2105.44  1325.31  553.293   61.885   25.630   55.300   12.603 6.585304 28.56085 
1 1 1  -29   21   16 f  124.019   9.6125  6406.64  960.409  8527.94  2895.08  6144.32  1018.06  132.474   27.801  121.161   10.451 11.31329 29.70053 
1 1 1  -29   21   17 o   74.855   12.023  2414.64  706.015  3266.21  2619.64  2347.94  733.142   81.757   30.052   73.543   12.739 8.214493 32.64021 
1 1 1  -29   21   18 o  135.663   10.755  7799.39  1175.03  6637.64  3106.79  7993.31  1269.31  107.253   32.705  136.928   11.524 -29.67581 34.67578 
1 1 1  -29   21   19 o  105.743   11.529  4834.67  973.872  1953.36  2918.29  5195.76  1033.09   68.479   29.353  109.499   11.806 -41.01994 31.63849 
1 1 1  -29   21   20 o  144.001   12.215  9132.09  1414.74  4234.88  3809.21  9915.69  1523.73   77.133   33.304  149.659   12.658 -72.52644 35.62827 
1 1 1  -29   21   21 o   39.495   16.973  326.141  980.302 -583.8604  3548.89  401.311  1019.99   53.866   26.116   40.722   17.402 13.14355 31.38265 
1 1 1  -29   21   22 o   58.103   21.256  2102.68  1308.38   0.0000   0.0000  2102.68  1308.38  ?   ?    58.103   21.256 0.000000 21.25601 
1 1 1  -29   23    1 o  246.371   16.350 24971.06  3252.19   0.0000   0.0000 24971.06  3252.19  ?   ?   246.371   16.350 0.000000 16.35016 
1 1 1  -29   23    2 o  622.148   32.721 163350.20 16471.54   0.0000   0.0000 163350.20 16471.54  ?   ?   622.148   32.721 0.000000 32.72133 
1 1 1  -29   23    3 o  267.895   13.834 29412.66  2998.98 33767.22  5567.90 27633.09  3559.41  284.422   24.344  259.011   17.019 25.41168 29.70356 
1 1 1  -29   23    4 o  234.324   13.609 22520.54  2578.04 22637.67  4739.73 22471.32  3072.26  232.003   25.586  233.552   16.303 -1.549774 30.33885 
1 1 1  -29   23    5 o  168.217   12.268 11617.21  1664.11 12866.62  3201.06 11154.50  1948.04  174.754   23.128  164.402   14.750 10.35126 27.43096 
1 1 1  -29   23    6 o  209.483   14.824 18070.32  2505.10 18655.77  4021.01 17698.94  3202.56  210.547   23.947  206.290   19.346 4.256729 30.78466 
1 1 1  -29   23    7 o  205.725   25.069 17921.84  4100.94 17921.84  4100.94   0.0000   0.0000  205.725   25.069  ?   ?  0.000000 25.06875 
1 1 1  -29   23    8 o  157.776   14.150 10291.92  1793.51  9218.97  3077.07 10843.98  2207.20  145.841   26.979  161.332   17.111 -15.49146 31.94705 
1 1 1  -29   23    9 f   61.249   16.785  1598.50  859.506  1289.84  1764.83  1694.47  984.102   64.436   24.464   63.229   18.191 1.206970 30.48590 
1 1 1  -29   23   10 o  141.727   13.557  8339.60  1541.07  8641.35  2785.78  8206.55  1849.90  140.678   25.320  139.809   16.621 0.8682861 30.28781 
1 1 1  -29   23   11 o  280.884   16.993 33029.00  3857.28 34950.94  5995.86 31671.94  5038.28  283.104   26.388  271.620   23.063 11.48441 35.04552 
1 1 1  -29   23   12 o  249.426   12.577 25808.25  2538.86 23215.89  5333.37 26567.82  2886.95  225.849   29.812  252.370   14.145 -26.52110 32.99768 
1 1 1  -29   23   13 o  190.652   10.780 15063.05  1661.91 15078.98  3917.22 15059.56  1835.26  181.244   27.480  190.192   11.945 -8.947739 29.96361 
1 1 1  -29   23   14 o  134.593   9.3210  7505.67  1012.37  7583.01  3121.50  7496.58  1070.22  123.935   31.076  134.344   9.8804 -10.40956 32.60919 
1 1 1  -29   23   15 o  281.237   13.240 33355.59  3023.45 33090.02  6309.22 33434.76  3444.74  259.274   30.556  279.541   15.234 -20.26694 34.14322 
1 1 1  -29   23   16 o   92.660   9.9560  3615.14  737.308 -139.3025  3098.13  3840.55  759.118   63.056   28.468   95.542   9.9304 -32.48665 30.15050 
1 1 1  -29   23   17 f   56.837   13.862  1444.42  633.985  3035.65  3103.07  1375.10  647.646   78.787   31.679   55.367   14.304 23.41976 34.75902 
1 1 1  -29   23   18 o   77.683   12.895  2667.70  784.820  6471.58  3510.62  2467.59  805.199   98.922   34.990   74.189   13.877 24.73257 37.64146 
1 1 1  -29   23   19 o   65.885   14.527  2010.67  756.247  5367.25  3717.87  1865.79  772.395   84.514   34.425   63.057   15.252 21.45723 37.65250 
1 1 1  -29   23   20 o   38.726   17.076  120.377  1047.70  3840.03  3979.61 -156.6295  1086.01   69.757   31.797   37.037   16.776 32.71970 35.95105 
1 1 1  -29   23   21 o   37.756   16.888  137.569  1062.35  1398.27  4401.44   59.581  1094.72   56.229   27.646   37.533   16.936 18.69566 32.42115 
1 1 1  -29   23   22 o   35.181   16.772 -460.3675  1328.11   0.0000   0.0000 -460.3675  1328.11  ?   ?    35.181   16.772 0.000000 16.77219 
1 1 1  -29   25    1 f  133.791   15.203  7429.30  1622.23   0.0000   0.0000  7429.30  1622.23  ?   ?   133.791   15.203 0.000000 15.20299 
1 1 1  -29   25    2 o  249.668   17.429 25757.80  3511.13   0.0000   0.0000 25757.80  3511.13  ?   ?   249.668   17.429 0.000000 17.42925 
1 1 1  -29   25    3 o   65.720   16.519  1843.71  880.512  2930.47  2338.23  1664.14  950.479   85.505   28.623   62.773   17.819 22.73192 33.71577 
1 1 1  -29   25    4 o  142.687   13.664  8413.32  1563.76  5811.28  3192.41  9234.74  1793.68  115.109   32.650  149.296   14.999 -34.18738 35.93005 
1 1 1  -29   25    5 o  233.788   28.631 23419.55  5321.43 23419.55  5321.43   0.0000   0.0000  233.788   28.631  ?   ?  0.000000 28.63120 
1 1 1  -29   25    6 o  173.697   13.505 12448.09  1889.66 15270.82  3560.17 11340.95  2229.65  189.634   23.635  164.985   16.882 24.64899 29.04443 
1 1 1  -29   25    7 o  112.934   14.624  5333.35  1309.50  7170.82  2494.90  4634.66  1538.45  128.392   24.830  104.137   18.890 24.25480 31.19877 
1 1 1  -29   25    8 o   88.197   16.118  3316.18  1111.75  3227.53  2365.95  3341.29  1259.45   87.499   28.773   88.069   18.214 -0.5707550 34.05296 
1 1 1  -29   25    9 o   49.870   17.568  923.817  884.093 -276.2977  1985.48  1220.62  987.381   54.071   23.685   55.424   18.600 -1.352993 30.11496 
1 1 1  -29   25   10 o   65.419   17.761  1860.06  967.700  931.843  2108.08  2107.88  1089.24   63.832   25.952   69.482   18.835 -5.650070 32.06689 
1 1 1  -29   25   11 o   62.003   16.923  1675.85  875.809  1988.55  2338.84  1624.85  944.531   73.913   28.138   61.238   17.881 12.67525 33.33905 
1 1 1  -29   25   12 o  214.164   11.937 19110.87  2067.57 13623.84  4843.66 20333.43  2286.33  163.236   37.353  220.496   12.826 -57.25943 39.49329 
1 1 1  -29   25   13 o   54.974   10.268  1290.18  441.476  1854.26  2453.67  1271.31  448.800   72.008   28.427   54.505   10.522 17.50298 30.31144 
1 1 1  -29   25   14 o   48.706   12.019  1033.01  472.416  3713.21  2530.29  936.203  480.872   87.082   29.772   46.401   12.488 40.68135 32.28482 
1 1 1  -29   25   15 o   24.168   10.601 -79.5197  398.996 -2641.8889  2581.45 -16.8072  403.849   47.984   23.012   25.245   10.872 22.73911 25.45122 
1 1 1  -29   25   16 o   61.941   12.558  1689.52  609.982  1538.50  3040.93  1695.85  622.638   69.296   29.839   61.981   12.796 7.315128 32.46673 
1 1 1  -29   25   17 o  104.989   11.003  4735.17  924.082  6588.85  4009.43  4631.18  949.648   96.829   36.847  103.568   11.486 -6.739189 38.59555 
1 1 1  -29   25   18 o   91.439   12.070  3690.10  874.210  3394.61  3821.64  3706.42  898.021   74.293   32.693   91.437   12.417 -17.14375 34.97164 
1 1 1  -29   25   19 o   66.353   22.999  2512.55  1512.06  3319.23  4734.50  2420.92  1595.63   68.263   32.289   64.942   23.517 3.320480 39.94498 
1 1 1  -29   25   20 o   97.084   22.183  5529.15  1710.39  3191.13  4769.72  5874.16  1832.25   60.869   29.683   98.482   23.281 -37.61259 37.72379 
1 1 1  -29   25   21 o   45.040   19.432  1027.01  1294.87   0.0000   0.0000  1027.01  1294.87  ?   ?    45.040   19.432 0.000000 19.43235 
1 1 1  -29   27    1 o   35.551   15.920 -406.8757  946.789   0.0000   0.0000 -406.8757  946.789  ?   ?    35.551   15.920 0.000000 15.91951 
1 1 1  -29   27    2 o  197.794   29.464 17046.58  4587.55   0.0000   0.0000 17046.58  4587.55  ?   ?   197.794   29.464 0.000000 29.46398 
1 1 1  -29   27    3 o  355.470   34.589 55747.05  9857.09   0.0000   0.0000 55747.05  9857.09  ?   ?   355.470   34.589 0.000000 34.58938 
1 1 1  -29   27    4 o   64.451   19.280  1754.04  1087.31  5320.07  2485.05  909.724  1209.19  109.417   27.889   53.836   20.295 55.58099 34.49167 
1 1 1  -29   27    5 o  401.101   20.016 67392.30  6518.79 77377.51 11889.41 63100.34  7794.87  415.095   35.621  384.030   25.137 31.06503 43.59693 
1 1 1  -29   27    6 o  312.027   17.315 40705.00  4369.58 41268.41  8122.93 40475.57  5183.44  302.535   33.637  309.201   20.767 -6.665894 39.53086 
1 1 1  -29   27    7 o  326.874   21.437 45593.95  5658.23 40044.20  8845.06 49438.18  7361.54  291.466   38.302  335.511   27.258 -44.04443 47.01095 
1 1 1  -29   27    8 f   99.211   17.262  4243.89  1340.02  6351.50  3026.92  3730.14  1494.45  116.347   31.339   91.917   20.541 24.43008 37.47090 
1 1 1  -29   27    9 o   58.560   18.975  1433.97  1030.56  970.001  2920.98  1499.93  1101.39   71.239   29.898   59.966   19.627 11.27272 35.76457 
1 1 1  -29   27   10 f   74.020   19.128  2438.15  1157.92  3839.68  2752.84  2136.87  1276.32   91.263   31.054   69.560   20.907 21.70313 37.43611 
1 1 1  -29   27   11 o   34.178   15.210 -260.2683  849.946 -153.3887  2357.91 -276.2298  911.205   57.901   25.570   35.358   15.741 22.54279 30.02674 
1 1 1  -29   27   12 o  114.996   8.7335  5484.39  809.380  5301.61  3147.06  5497.33  837.554  101.623   33.173  115.047   9.0388 -13.42357 34.38223 
1 1 1  -29   27   13 o  118.232   9.0744  5820.86  864.495  7991.51  3561.11  5684.92  891.153  121.035   34.537  116.700   9.4868 4.335396 35.81597 
1 1 1  -29   27   14 o   64.957   11.317  1821.40  575.182  396.713  3234.83  1867.91  584.496   65.971   29.492   65.790   11.352 0.1807785 31.60117 
1 1 1  -29   27   15 o  202.198   12.040 17472.03  1967.82 12448.70  5507.44 18207.18  2106.89  128.166   43.923  205.879   12.665 -77.71313 45.71227 
1 1 1  -29   27   16 o   48.542   14.582  1062.22  621.038  7604.29  3662.94  868.599  630.161  105.682   35.822   44.740   14.856 60.94270 38.78053 
1 1 1  -29   27   17 o   43.476   14.104  842.865  569.203  228.648  3959.10  855.829  575.178   62.369   29.509   43.766   14.175 18.60248 32.73697 
1 1 1  -29   27   18 o   58.603   22.218  1832.91  1454.33  2390.10  4464.87  1766.78  1538.22   65.270   31.013   57.961   22.619 7.308884 38.38562 
1 1 1  -29   27   19 o   97.215   24.823  6028.33  1966.23  4484.79  5422.01  6262.06  2109.85   63.002   30.917   96.561   26.230 -33.55928 40.54419 
1 1 1  -29   27   20 o   68.829   24.340  3674.30  1698.67   0.0000   0.0000  3674.30  1698.67  ?   ?    68.829   24.340 0.000000 24.34003 
1 1 1  -29   29    1 o  399.072   24.887 68833.43  8024.05   0.0000   0.0000 68833.43  8024.05  ?   ?   399.072   24.887 0.000000 24.88705 
1 1 1  -29   29    2 o  301.758   20.743 38741.72  5051.60   0.0000   0.0000 38741.72  5051.60  ?   ?   301.758   20.743 0.000000 20.74328 
1 1 1  -29   29    3 o  144.011   18.970  8873.30  2164.17   0.0000   0.0000  8873.30  2164.17  ?   ?   144.011   18.970 0.000000 18.96955 
1 1 1  -29   29    4 o  130.890   16.859  7284.84  1750.06  9083.54  4401.00  6947.00  1907.34  136.170   38.234  126.983   19.089 9.186096 42.73476 
1 1 1  -29   29    5 o  155.802   16.263 10272.59  2027.09 12095.78  4357.25  9769.01  2290.00  158.975   34.727  150.737   19.142 8.237427 39.65334 
1 1 1  -29   29    6 o   71.759   20.254  2269.45  1231.67  1126.66  3347.16  2448.42  1324.61   75.809   31.920   74.383   21.008 1.425652 38.21274 
1 1 1  -29   29    7 o   55.411   20.096  1139.89  1165.88  2378.93  3567.32  991.717  1233.62   84.161   33.922   54.283   20.491 29.87808 39.63038 
1 1 1  -29   29    8 o  214.126   18.296 19743.55  3150.44 18857.28  5702.31 20132.92  3779.66  192.714   37.792  213.494   22.125 -20.77995 43.79226 
1 1 1  -29   29    9 o  103.811   18.989  4779.21  1541.63  3836.13  3847.97  4959.53  1682.57   92.684   35.885  105.138   20.446 -12.45361 41.30104 
1 1 1  -29   29   10 o  141.978   18.022  8835.68  2030.83  8534.93  4432.31  8915.60  2284.77  123.487   39.283  141.135   20.540 -17.64797 44.32914 
1 1 1  -29   29   11 o   58.646   19.121  1497.69  1045.69 -1496.8990  3395.52  1811.45  1099.11   60.935   28.343   63.547   19.467 -2.611916 34.38408 
1 1 1  -29   29   12 o  106.131   19.334  5139.92  1604.75  5201.54  3968.82  5127.88  1754.57   96.469   36.672  104.792   21.346 -8.322922 42.43174 
1 1 1  -29   29   13 o   99.308   9.2290  4142.07  735.670  7098.77  3913.74  4033.77  749.022  106.968   37.006   97.877   9.5464 9.090965 38.21758 
1 1 1  -29   29   14 o  211.764   11.601 19153.07  1987.07 19046.14  5956.81 19166.46  2107.80  162.186   44.080  211.148   12.348 -48.96187 45.77712 
1 1 1  -29   29   15 o  104.571   9.9350  4668.66  833.432  2097.16  4770.93  4749.60  846.448   73.260   33.909  105.444   10.006 -32.18423 35.35467 
1 1 1  -29   29   16 o   43.667   18.910  320.995  1235.29  3653.68  4590.08   60.773  1282.61   73.584   33.769   42.158   18.726 31.42648 38.61388 
1 1 1  -29   29   17 o   89.550   24.598  4802.25  1843.41 -5289.3979  4757.61  6584.95  1999.61   50.595   25.467  107.581   23.545 -56.98631 34.68307 
1 1 1  -29   29   18 o   81.419   23.643  4241.32  1655.44  4772.18  5028.87  4176.80  1753.15   63.056   30.690   78.846   24.658 -15.78970 39.36843 
1 1 1  -29   31    1 o  189.774   20.769 15650.19  3147.98   0.0000   0.0000 15650.19  3147.98  ?   ?   189.774   20.769 0.000000 20.76851 
1 1 1  -29   31    2 o   97.711   23.896  4343.66  1880.17   0.0000   0.0000  4343.66  1880.17  ?   ?    97.711   23.896 0.000000 23.89643 
1 1 1  -29   31    3 o   75.618   24.923  2496.31  1774.75   0.0000   0.0000  2496.31  1774.75  ?   ?    75.618   24.923 0.000000 24.92251 
1 1 1  -29   31    4 o   75.514   23.096  2545.93  1547.88   0.0000   0.0000  2545.93  1547.88  ?   ?    75.514   23.096 0.000000 23.09633 
1 1 1  -29   31    5 o   86.051   22.897  3382.84  1627.91  6493.13  4821.06  2982.57  1729.49  112.099   40.834   80.911   24.341 31.18743 47.53844 
1 1 1  -29   31    6 o  129.220   18.913  7331.20  1925.64 12583.11  4664.57  6252.29  2114.21  155.314   37.429  117.077   23.061 38.23646 43.96261 
1 1 1  -29   31    7 o   72.116   22.207  2348.61  1428.26  6024.04  4525.04  1941.93  1505.20  106.742   39.452   67.159   22.962 39.58256 45.64781 
1 1 1  -29   31    8 o   49.433   19.521  709.974  1157.42  3182.60  4695.21  549.998  1194.27   89.794   37.807   48.173   19.553 41.62046 42.56391 
1 1 1  -29   31    9 f   91.631   23.422  3984.62  1749.28 -4261.5688  4435.21  5503.66  1903.59   61.236   29.569  108.726   22.311 -47.48988 37.04202 
1 1 1  -29   31   10 o   45.172   19.045  294.642  1194.04  1977.01  3771.01  107.174  1258.81   77.470   33.291   44.450   19.169 33.01986 38.41574 
1 1 1  -29   31   11 o  179.517   20.062 14782.21  2874.20 14950.83  6399.51 14739.60  3216.90  139.873   47.349  176.176   23.040 -36.30307 52.65748 
1 1 1  -29   31   12 o  109.420   21.818  5783.88  1870.42  7798.42  5301.37  5497.45  1998.97  102.328   41.315  104.828   24.002 -2.500061 47.78075 
1 1 1  -29   31   13 o  129.827   9.7722  7144.73  1022.59 11606.63  5606.51  6991.18  1040.04  114.732   43.593  128.253   10.068 -13.52082 44.74022 
1 1 1  -29   31   14 o  104.401   9.8863  4671.53  828.082 15084.94  5450.77  4425.51  837.807  128.285   43.697  101.354   10.325 26.93162 44.90064 
1 1 1  -29   31   15 o   84.742   24.201  4114.00  1747.89  7707.96  5585.09  3723.79  1840.33   82.201   37.546   79.060   25.330 3.140663 45.29186 
1 1 1  -29   31   16 o   97.709   24.770  5819.35  1967.85 14098.43  6095.90  4856.23  2079.16   89.300   40.160   84.724   26.900 4.576118 48.33699 
1 1 1  -29   31   17 o   43.625   18.999  677.877  1261.21  4064.65  6351.20  538.842  1286.84   58.845   29.594   42.700   18.872 16.14505 35.09927 
1 1 1  -29   33    1 o   58.664   24.131  800.468  1849.28   0.0000   0.0000  800.468  1849.28  ?   ?    58.664   24.131 0.000000 24.13062 
1 1 1  -29   33    2 o   57.429   23.274  864.569  1689.31   0.0000   0.0000  864.569  1689.31  ?   ?    57.429   23.274 0.000000 23.27450 
1 1 1  -29   33    3 o  136.276   23.934  8557.35  2551.76   0.0000   0.0000  8557.35  2551.76  ?   ?   136.276   23.934 0.000000 23.93450 
1 1 1  -29   33    4 o  160.912   22.853 11799.65  2902.00   0.0000   0.0000 11799.65  2902.00  ?   ?   160.912   22.853 0.000000 22.85327 
1 1 1  -29   33    5 o  102.684   24.730  5015.57  2037.27   0.0000   0.0000  5015.57  2037.27  ?   ?   102.684   24.730 0.000000 24.72959 
1 1 1  -29   33    6 o  138.456   22.146  8818.68  2405.77 18763.60  7064.74  7514.17  2558.69  167.056   48.937  124.817   26.087 42.23879 55.45595 
1 1 1  -29   33    7 f  146.281   21.789  9870.89  2509.03 17788.54  6344.66  8403.16  2731.70  165.433   45.714  131.053   26.580 34.38019 52.87958 
1 1 1  -29   33    8 o  114.292   23.340  6256.24  2092.72  2430.65  6045.03  6777.15  2230.65   86.318   39.285  118.575   23.992 -32.25691 46.03222 
1 1 1  -29   33    9 f  181.782   20.784 15339.50  3012.55 18184.59  7691.96 14824.03  3274.10  142.706   51.640  175.711   23.540 -33.00507 56.75247 
1 1 1  -29   33   10 o  223.097   22.920 24060.95  4092.91 27738.56  8990.49 23099.49  4596.90  165.093   56.121  211.745   27.378 -46.65150 62.44285 
1 1 1  -29   33   11 o  136.599   23.774  9406.10  2541.13 12580.79  7170.27  8950.10  2717.51  108.384   46.222  129.950   26.649 -21.56652 53.35414 
1 1 1  -29   33   12 o   60.214   23.456  1678.98  1651.79  8472.67  6369.80  1189.21  1710.29   90.926   40.957   56.076   23.152 34.84931 47.04737 
1 1 1  -29   33   13 o   57.092   22.856  1518.73  1607.63  2356.48  6669.12  1467.04  1656.47   70.663   34.596   56.811   23.039 13.85254 41.56527 
1 1 1  -29   33   14 o   63.831   24.182  2417.58  1722.05  5974.85  7099.06  2195.18  1775.06   70.699   34.828   61.597   24.222 9.101929 42.42275 
1 1 1  -29   33   15 o   62.634   24.402  2622.03  1787.88  4884.22  7527.15  2486.77  1840.55   62.549   31.553   61.186   24.470 1.362167 39.92921 
1 1 1  -29   35    1 o  115.810   29.536  6855.07  2786.08   0.0000   0.0000  6855.07  2786.08  ?   ?   115.810   29.536 0.000000 29.53585 
1 1 1  -29   35    2 o  121.368   28.918  7472.26  2809.28   0.0000   0.0000  7472.26  2809.28  ?   ?   121.368   28.918 0.000000 28.91837 
1 1 1  -29   35    3 o  146.585   27.061 10582.11  3102.22   0.0000   0.0000 10582.11  3102.22  ?   ?   146.585   27.061 0.000000 27.06102 
1 1 1  -29   35    4 o  160.584   26.396 12645.48  3322.12   0.0000   0.0000 12645.48  3322.12  ?   ?   160.584   26.396 0.000000 26.39598 
1 1 1  -29   35    5 o  138.009   27.476  9620.01  2970.74   0.0000   0.0000  9620.01  2970.74  ?   ?   138.009   27.476 0.000000 27.47645 
1 1 1  -29   35    6 o   98.509   27.962  5112.84  2340.59  5272.69  8906.39  5100.98  2425.86   94.263   44.494   97.799   28.684 -3.536942 52.93885 
1 1 1  -29   35    7 o  150.017   25.559 11321.99  3001.66  3263.55  9336.87 12250.85  3169.93   88.194   42.663  155.629   26.003 -67.43500 49.96257 
1 1 1  -29   35    8 o   84.047   27.228  3835.20  2122.03 11058.69  8597.81  3366.63  2189.78  100.643   46.198   79.027   27.661 21.61643 53.84632 
1 1 1  -29   35    9 o   35.792   17.143 -1494.8870  1422.50 -2093.3450  8217.08 -1476.3979  1444.31   72.990   36.228   36.214   17.327 36.77579 40.15847 
1 1 1  -29   35   10 o  133.188   26.784  9840.77  2796.14 16116.70 10401.54  9351.91  2903.00   93.621   45.225  126.777   28.850 -33.15643 53.64388 
1 1 1  -29   35   11 o  148.298   26.657 12590.71  3091.90 19401.04  9869.16 11849.53  3255.80   92.554   44.544  138.528   29.828 -45.97362 53.60871 
1 1 1  -29   35   12 o   66.039   25.885  2727.25  2021.29  3430.10  8877.97  2688.83  2075.80   67.486   34.070   65.582   26.065 1.903397 42.89719 
1 1 1  -29   35   13 o   67.767   26.234  3286.03  2056.23  4262.17  9400.83  3236.99  2107.25   62.715   31.998   67.020   26.380 -4.305344 41.47018 
1 1 1  -29   35   14 o   52.544   22.990  1661.91  1866.12 -4913.7109 11157.78  1851.14  1892.78   53.830   27.818   53.825   23.358 0.4528046E-02 36.32388 
1 1 1  -29   37    1 o   59.993   26.228  697.765  2424.41   0.0000   0.0000  697.765  2424.41  ?   ?    59.993   26.228 0.000000 26.22826 
1 1 1  -29   37    2 o   65.656   27.309  1633.54  2405.18   0.0000   0.0000  1633.54  2405.18  ?   ?    65.656   27.309 0.000000 27.30894 
1 1 1  -29   37    3 o  116.627   32.500  8025.06  3192.43   0.0000   0.0000  8025.06  3192.43  ?   ?   116.627   32.500 0.000000 32.49950 
1 1 1  -29   37    4 o   56.693   25.179  416.371  2317.99   0.0000   0.0000  416.371  2317.99  ?   ?    56.693   25.179 0.000000 25.17887 
1 1 1  -29   37    5 o   83.632   29.968  4111.93  2583.22   0.0000   0.0000  4111.93  2583.22  ?   ?    83.632   29.968 0.000000 29.96836 
1 1 1  -29   37    6 o   61.432   25.914  1477.91  2212.62   0.0000   0.0000  1477.91  2212.62  ?   ?    61.432   25.914 0.000000 25.91400 
1 1 1  -29   37    7 o   61.961   25.960  1700.93  2196.03 -4473.1260 10063.99  2009.60  2250.26   70.052   35.471   64.365   26.564 5.687683 44.31516 
1 1 1  -29   37    8 o   62.014   26.020  1876.06  2211.48  8615.88  9971.69  1527.42  2267.95   78.945   39.304   59.849   25.770 19.09624 46.99866 
1 1 1  -29   37    9 o   53.292   23.943  742.565  2160.51  9121.08 10519.05  373.551  2207.57   74.325   37.468   51.628   23.591 22.69714 44.27661 
1 1 1  -29   37   10 o   72.521   27.520  3718.85  2232.65 -8099.1802 10852.31  4241.15  2281.45   59.700   30.695   76.791   28.072 -17.09123 41.59630 
1 1 1  -29   37   11 o   50.633   23.156  871.106  2132.86 34236.10 13723.69   45.276  2159.09   72.952   37.337   46.904   22.069 26.04875 43.37101 
1 1 1  -29   39    1 o   57.992   26.481  589.346  2775.68   0.0000   0.0000  589.346  2775.68  ?   ?    57.992   26.481 0.000000 26.48123 
1 1 1  -29   39    2 o   75.493   31.878  3858.23  3353.82   0.0000   0.0000  3858.23  3353.82  ?   ?    75.493   31.878 0.000000 31.87826 
1 1 1  -29   39    3 o   71.977   30.650  3334.91  3144.35   0.0000   0.0000  3334.91  3144.35  ?   ?    71.977   30.650 0.000000 30.65032 
1 1 1  -29   39    4 o   66.120   28.489  2482.11  2775.61   0.0000   0.0000  2482.11  2775.61  ?   ?    66.120   28.489 0.000000 28.48902 
1 1 1  -29   39    5 o   61.274   27.340  1784.96  2765.98   0.0000   0.0000  1784.96  2765.98  ?   ?    61.274   27.340 0.000000 27.34023 
1 1 1  -29   39    6 o   71.466   30.051  3899.67  2960.05   0.0000   0.0000  3899.67  2960.05  ?   ?    71.466   30.051 0.000000 30.05061 
1 1 1  -29   39    7 o   74.339   30.905  4847.68  3078.01   0.0000   0.0000  4847.68  3078.01  ?   ?    74.339   30.905 0.000000 30.90486 
1 1 1  -29   39    8 o   74.410   30.586  5214.95  2968.40 27529.76 17270.59  4535.67  3013.24   66.541   34.395   69.964   29.904 -3.423050 45.57673 
1 1 1  -28    0    3 o   66.239   9.0515  1879.06  461.064  1879.06  461.064   0.0000   0.0000   66.239   9.0515   66.239   9.0515 0.000000 0.000000 
1 1 1  -28    0    4 o  860.128   59.800 308210.09 41300.50 308210.09 41300.50   0.0000   0.0000  860.128   59.800  860.128   59.800 0.000000 0.000000 
1 1 1  -28    0    5 o  161.551   8.9123 10694.63  1160.92 14333.44  1677.03  7346.39  1608.68  186.871   11.143  131.771   15.612 0.000000 0.000000 
1 1 1  -28    0    6 o  314.674   16.403 40558.95  4164.92 33479.86  5933.64 47433.94  5847.48  283.280   26.319  339.579   21.402 0.000000 0.000000 
1 1 1  -28    0    7 o  1553.61  110.124 1029657.00 137316.20 1029657.00 137316.20   0.0000   0.0000  1553.61  110.124  1553.61  110.124 0.000000 0.000000 
1 1 1  -28    0    8 o  1101.67   76.957 509503.59 68067.44   0.0000   0.0000 509503.59 68067.44  1101.67   76.957  1101.67   76.957 0.000000 0.000000 
1 1 1  -28    0    9 o  131.331   8.7948  7098.34  928.185  6414.67  1395.25  7641.10  1243.17  123.164   14.476  135.718   11.470 0.000000 0.000000 
1 1 1  -28    0   10 o  333.778   16.822 45652.94  4532.69 47278.51  6461.11 44077.62  6360.46  338.180   23.801  326.221   24.323 0.000000 0.000000 
1 1 1  -28    0   11 o  759.590   36.680 238579.70 22502.66 250518.80 31874.94 226717.30 31772.44  771.900   51.379  732.420   54.105 0.000000 0.000000 
1 1 1  -28    0   12 o  523.586   25.267 112802.20 10684.87 124562.20 15164.97 101209.10 15056.97  547.407   34.431  491.281   38.280 0.000000 0.000000 
1 1 1  -28    0   13 o  207.345   11.391 17637.80  1904.54 20952.59  2756.14 14608.45  2634.81  225.349   15.222  186.883   17.730 0.000000 0.000000 
1 1 1  -28    0   14 o  172.516   10.755 12241.59  1493.12  9398.06  2180.58 14751.70  2048.75  148.312   18.954  188.957   13.512 0.000000 0.000000 
1 1 1  -28    0   15 o  525.445   25.746 114054.60 10924.11 119896.30 15516.33 108313.20 15382.60  534.471   36.133  506.802   37.867 0.000000 0.000000 
1 1 1  -28    0   16 o  431.979   22.296 77054.53  7772.88 67598.55 11067.16 86259.62 10919.35  399.324   34.738  454.356   29.895 0.000000 0.000000 
1 1 1  -28    0   17 o  192.329   11.417 15219.39  1768.50 17242.94  2618.79 13522.86  2397.86  203.634   16.069  179.652   16.774 0.000000 0.000000 
1 1 1  -28    0   18 o   41.244   14.918  920.523  458.355 -418.8467  935.008  1344.20  525.877   24.280   16.376   52.482   14.276 0.000000 0.000000 
1 1 1  -28    0   19 f  218.473   12.353 19697.48  2175.36 25341.87  3309.42 15403.29  2886.58  246.620   16.703  190.457   19.107 0.000000 0.000000 
1 1 1  -28    0   20 o   98.543   11.952  4146.07  918.843  6819.56  1953.33  3386.40  1041.24  122.919   21.553   86.370   16.626 0.000000 0.000000 
1 1 1  -28    0   21 o   78.491   12.998  2726.68  760.101  1073.79  1586.11  3219.44  866.022   44.717   26.155   85.528   13.469 0.000000 0.000000 
1 1 1  -28    0   22 f   21.203   13.708  -2.8647  553.500  156.538  1488.31 -28.4502  596.269   35.348   22.712   21.694   14.101 0.000000 0.000000 
1 1 1  -28    0   23 o   75.040   14.794  2586.07  801.682  1757.49  2129.84  2722.85  865.322   52.975   30.601   76.618   15.744 0.000000 0.000000 
1 1 1  -28    0   24 o   57.052   20.093  1808.23  844.980  2557.73  2315.87  1693.13  907.547   59.844   32.934   53.440   21.486 0.000000 0.000000 
1 1 1  -28    0   25 o   27.047   16.233  353.917  640.564   0.0000   0.0000  353.917  640.564   27.047   16.233   27.047   16.233 0.000000 0.000000 
1 1 1  -28    0   26 o   79.006   16.176  2994.65  917.305   0.0000   0.0000  2994.65  917.305   79.006   16.176   79.006   16.176 0.000000 0.000000 
1 1 1  -28    2    2 o  732.985   50.686 223152.70 29980.87 223152.70 29980.87   0.0000   0.0000  732.985   50.686  ?   ?  0.000000 50.68575 
1 1 1  -28    2    4 f  320.080   13.034 41642.11  3387.35 39921.13  5923.19 42478.48  4129.21  312.107   23.546  323.192   15.735 -11.08496 28.31995 
1 1 1  -28    2    5 o  617.862   24.080 155577.50 12080.70 162110.20 20975.48 152334.91 14777.81  627.047   41.431  610.773   29.798 16.27405 51.03418 
1 1 1  -28    2    6 o  463.849   18.263 87537.39  6878.42 94569.96 11957.49 84059.45  8408.99  480.199   30.831  453.690   22.901 26.50876 38.40536 
1 1 1  -28    2    7 o  799.271   31.892 261129.80 20697.24 257630.91 25349.25 268126.91 35847.53  792.484   39.395  802.659   55.342 -10.17578 67.93098 
1 1 1  -28    2    8 o  552.677   21.558 124455.00  9674.43 118970.40 16700.21 127225.20 11868.81  536.914   38.564  558.319   26.181 -21.40588 46.61144 
1 1 1  -28    2    9 o  399.546   13.588 64933.20  4408.08 63583.20  6227.38 66288.91  6240.56  394.980   19.417  403.325   19.056 -8.345245 27.20602 
1 1 1  -28    2   10 f  708.414   23.672 205481.30 13616.27 201917.00 19248.09 209051.59 19264.54  699.141   33.907  711.587   33.342 -12.44678 47.55368 
1 1 1  -28    2   11 o   47.022   8.6631  927.622  318.572  375.402  607.572  1137.01  374.125   37.258   14.304   52.110   9.1774 -14.85151 16.99503 
1 1 1  -28    2   12 o  215.591   9.6327 18915.03  1686.22 18583.80  2049.51 19608.98  2966.54  213.234   11.885  218.337   16.864 -5.102264 20.63115 
1 1 1  -28    2   13 o  287.000   10.358 33547.49  2413.83 33096.36  3403.04 34004.29  3424.39  284.215   14.797  288.116   14.687 -3.901581 20.84850 
1 1 1  -28    2   14 o  206.748   8.3107 17395.76  1395.14 17587.29  1963.67 17200.54  1982.51  207.309   11.714  204.974   11.964 2.335144 16.74344 
1 1 1  -28    2   15 o  507.840   17.864 106110.20  7366.33 105653.00 10406.82 106569.20 10428.35  502.661   25.582  504.876   25.521 -2.214294 36.13586 
1 1 1  -28    2   16 o  302.347   11.029 37341.78  2707.59 35791.70  3816.81 38912.00  3841.52  294.585   16.017  307.748   15.373 -13.16299 22.20115 
1 1 1  -28    2   17 o   91.794   6.9456  3450.80  513.844  3714.66  691.619  3125.70  767.692   94.979   9.0787   86.703   11.164 8.275528 14.38958 
1 1 1  -28    2   18 o  158.555   7.4653 10257.43  961.094 10371.87  1352.49 10140.70  1365.99  158.703   10.556  156.866   10.790 1.836670 15.09492 
1 1 1  -28    2   19 o  110.642   7.3222  5027.85  654.092  5045.26  910.031  5009.24  940.787  110.223   10.287  109.726   10.695 0.4963913 14.83978 
1 1 1  -28    2   20 o  187.038   8.2262 14386.63  1249.30 15166.81  1745.81 13567.80  1788.52  190.641   11.329  179.828   12.323 10.81339 16.73956 
1 1 1  -28    2   21 o   92.066   7.7804  3516.93  576.173  4546.84  796.023  2383.60  835.039  104.253   9.5083   73.596   14.489 30.65639 17.33070 
1 1 1  -28    2   22 o   55.683   11.318  1353.41  494.274  1172.60  683.003  1552.22  716.197   51.290   15.267   58.651   14.984 -7.361412 21.39145 
1 1 1  -28    2   23 o   16.545   8.0586 -604.1315  348.628 -581.5715  437.945 -643.1610  576.032   19.815   9.4965   23.477   11.151 -3.662012 14.64648 
1 1 1  -28    2   24 o   74.298   9.2275  2379.12  544.685  2175.67  713.259  2663.77  843.659   69.003   13.212   75.904   14.211 -6.901237 19.40363 
1 1 1  -28    2   25 o   76.035   10.657  2593.19  639.890  2653.84  801.186  2486.36  1063.37   74.747   13.706   67.978   18.686 6.768326 23.17382 
1 1 1  -28    2   26 o   53.545   12.017  1393.20  509.627  1260.03  654.555  1598.21  812.103   48.704   15.040   53.281   16.801 -4.577206 22.54912 
1 1 1  -28    4    1 o  514.056   22.778 107661.60  9507.64 82025.99 13300.85 134446.20 13595.67  445.913   37.072  573.054   29.317 -127.1404 47.26344 
1 1 1  -28    4    2 o  721.211   49.959 215745.70 29075.93 215745.70 29075.93   0.0000   0.0000  721.211   49.959  ?   ?  0.000000 49.95932 
1 1 1  -28    4    3 o  253.943   13.412 26285.60  2755.69 23023.66  3937.49 29417.14  3857.99  236.903   20.677  268.307   17.810 -31.40359 27.28980 
1 1 1  -28    4    4 o  614.458   29.409 154158.80 14672.58 161561.00 20778.22 146796.50 20722.22  626.043   41.104  596.172   43.099 29.87140 59.55693 
1 1 1  -28    4    5 o  415.405   16.574 70180.44  5590.28 67826.40  9729.58 71340.55  6830.25  406.526   29.681  418.652   20.093 -12.12573 35.84267 
1 1 1  -28    4    6 o  1280.18   91.014 703764.62 93989.27 703764.62 93989.27   0.0000   0.0000  1280.18   91.014  ?   ?  0.000000 91.01373 
1 1 1  -28    4    7 o  332.555   13.580 44956.49  3666.95 45251.30  6386.30 44811.49  4478.86  332.359   23.823  331.493   16.694 0.8665771 29.08959 
1 1 1  -28    4    8 o  986.335   47.746 402444.69 38238.75   0.0000   0.0000 402444.69 38238.75  ?   ?   986.335   47.746 0.000000 47.74642 
1 1 1  -28    4    9 o  441.402   14.962 79303.38  5362.39 83016.67  7572.73 75568.78  7594.44  451.092   20.675  429.716   21.838 21.37646 30.07236 
1 1 1  -28    4   10 o  462.391   15.753 87159.69  5914.56 93303.45  8353.22 80982.78  8375.74  477.558   21.542  444.027   23.313 33.53098 31.74209 
1 1 1  -28    4   11 o  396.516   15.839 64190.38  5099.56 78922.70  8867.56 56910.61  6233.44  437.137   25.088  372.055   20.716 65.08200 32.53576 
1 1 1  -28    4   12 o  480.582   19.080 94666.43  7445.48 92851.91  9107.12 98323.59 12929.21  474.751   23.625  484.147   33.088 -9.396423 40.65641 
1 1 1  -28    4   13 o  546.221   18.582 122408.90  8241.25 117214.00 11641.15 127628.40 11668.68  530.741   27.103  555.018   25.893 -24.27734 37.48370 
1 1 1  -28    4   14 o  199.703   7.9970 16228.52  1296.73 16713.06  1813.77 15721.91  1854.63  202.146   11.093  195.958   11.710 6.188675 16.12975 
1 1 1  -28    4   15 o   61.439   11.134  1587.80  534.963  1402.40  818.883  1725.84  706.582   57.768   16.586   63.703   14.039 -5.935020 21.73004 
1 1 1  -28    4   16 f  266.090   10.038 28896.27  2168.85 28208.72  3048.79 29600.68  3085.97  261.800   14.398  268.245   14.219 -6.444855 20.23557 
1 1 1  -28    4   17 o  111.504   6.8068  5081.86  613.317  4939.06  837.853  5246.71  900.222  109.565   9.5124  112.887   9.9220 -3.322563 13.74522 
1 1 1  -28    4   18 f   23.348   9.4060   99.716  274.126   35.450  310.115  329.395  586.263   23.277   9.7540   35.804   13.967 -12.52700 17.03547 
1 1 1  -28    4   19 o  170.358   7.8236 11885.93  1082.20 11011.43  1500.29 12834.52  1562.55  162.794   11.422  175.956   10.992 -13.16174 15.85216 
1 1 1  -28    4   20 o   77.739   8.2002  2512.44  509.797  2841.48  663.776  2039.20  796.037   82.244   10.156   68.202   14.800 14.04146 17.94901 
1 1 1  -28    4   21 o   47.332   11.231  974.935  425.117  729.256  578.850  1262.61  626.371   42.311   14.241   53.445   14.195 -11.13433 20.10688 
1 1 1  -28    4   22 o  139.338   8.1227  8079.91  914.998  7778.54  1233.99  8447.98  1363.72  135.148   11.350  140.455   12.075 -5.307037 16.57218 
1 1 1  -28    4   23 o   26.705   11.343   48.482  428.607 -536.3239  545.328  993.532  693.232   23.453   11.052   47.311   15.575 -23.85789 19.09820 
1 1 1  -28    4   24 o  113.181   8.3744  5438.81  764.135  5421.74  1028.06  5459.88  1142.23  110.839   11.595  110.112   13.028 0.7273254 17.44058 
1 1 1  -28    4   25 o   43.880   13.165  917.476  506.438  1049.64  637.285  690.973  834.292   46.313   14.913   41.367   16.498 4.945503 22.23913 
1 1 1  -28    4   26 o   22.591   10.087 -60.9158  377.165 -31.7577  439.276 -142.7123  735.741   24.626   10.948   29.571   13.552 -4.945057 17.42168 
1 1 1  -28    6    1 o  577.541   40.691 137493.70 18959.73   0.0000   0.0000 137493.70 18959.73  ?   ?   577.541   40.691 0.000000 40.69088 
1 1 1  -28    6    3 o  869.030   41.656 309970.00 29393.80 320029.50 41574.51 299915.81 41563.71  876.490   58.757  847.619   60.795 28.87103 84.54876 
1 1 1  -28    6    5 o  349.409   17.397 49660.05  4935.80 46324.27  6981.52 52993.43  6979.02  336.112   25.778  359.841   24.024 -23.72906 35.23730 
1 1 1  -28    6    6 o  1081.98   43.392 481229.41 38121.51 411559.59 66067.19 516002.91 46675.43  981.167   83.730  1117.60   51.436 -136.4316 98.26682 
1 1 1  -28    6    7 o  469.829   19.474 89872.75  7429.00 67525.91 12904.63 100949.90  9085.56  403.520   39.909  497.707   22.482 -94.18713 45.80610 
1 1 1  -28    6    8 o  214.324   11.659 18728.19  2021.27   0.0000   0.0000 18728.19  2021.27  ?   ?   214.324   11.659 0.000000 11.65872 
1 1 1  -28    6    9 o  549.835   21.676 123521.10  9677.21 136641.80 16796.85 117002.20 11839.65  573.962   36.228  533.430   27.428 40.53229 45.43943 
1 1 1  -28    6   10 o  126.564   7.1401  6530.20  730.762  5222.23  1310.86  7119.95  880.224  112.233   14.741  132.087   8.2484 -19.85418 16.89195 
1 1 1  -28    6   11 o  222.122   8.8727 20068.38  1600.24 22335.96  2250.36 17748.76  2276.03  233.861   11.890  208.196   13.537 25.66475 18.01771 
1 1 1  -28    6   12 o  623.835   24.946 160702.70 12635.97 162714.80 15467.01 156664.70 21911.18  625.144   30.471  603.170   45.065 21.97443 54.39955 
1 1 1  -28    6   13 o  282.421   10.442 32494.86  2394.61 34523.60  3371.57 30429.81  3401.60  290.664   14.286  272.310   15.448 18.35361 21.04100 
1 1 1  -28    6   14 o  486.397   17.084 97108.37  6747.16 99014.20  9525.64 95189.45  9558.29  488.552   24.013  478.136   24.705 10.41550 34.45191 
1 1 1  -28    6   15 o  407.472   14.634 68059.20  4841.76 67304.56  6825.95 68823.33  6868.81  402.676   20.949  407.251   20.842 -4.574860 29.55101 
1 1 1  -28    6   16 o  360.336   12.709 53178.18  3718.31 51768.10  5233.80 54615.16  5283.53  353.427   18.301  363.615   17.896 -10.18762 25.59628 
1 1 1  -28    6   17 o  352.017   12.853 50896.90  3673.64 51864.01  5175.06 49914.50  5215.79  352.904   18.121  345.939   18.638 6.964752 25.99493 
1 1 1  -28    6   18 o  115.206   6.9240  5434.54  644.690  4738.38  859.038  6332.21  975.482  107.025   10.001  123.899   9.7759 -16.87374 13.98539 
1 1 1  -28    6   19 o  185.479   8.0191 14105.45  1207.69 14352.97  1684.23 13843.50  1732.66  185.912   11.210  182.365   11.764 3.546997 16.24957 
1 1 1  -28    6   20 o  120.064   7.4452  5941.61  722.239  5795.48  984.643  6111.79  1062.61  117.735   10.407  120.742   10.958 -3.007408 15.11245 
1 1 1  -28    6   21 f   47.255   10.880  970.796  408.841  1221.41  492.010  411.686  734.890   52.904   11.759   39.152   15.525 13.75224 19.47536 
1 1 1  -28    6   22 o  115.257   8.2624  5546.63  768.101  5675.50  984.913  5346.58  1227.10  115.575   10.614  110.377   14.007 5.198021 17.57444 
1 1 1  -28    6   23 o   92.878   8.3452  3638.74  622.626  3030.99  780.624  4701.40  1032.23   83.098   11.910  103.390   12.553 -20.29160 17.30416 
1 1 1  -28    6   24 o   18.160   8.5131 -292.7982  316.273 -110.3728  336.225 -1694.4570  931.985   21.235   9.4993   25.596   12.611 -4.361460 15.78846 
1 1 1  -28    6   25 o   83.422   9.4911  3074.38  631.442  2870.07  764.208  3514.00  1121.02   78.431   12.413   82.154   17.349 -3.723289 21.33301 
1 1 1  -28    6   26 o   40.655   17.553  719.550  1058.08   0.0000   0.0000  719.550  1058.08  ?   ?    40.655   17.553 0.000000 17.55319 
1 1 1  -28    8    1 f  363.133   17.701 53634.38  5219.23   0.0000   0.0000 53634.38  5219.23  ?   ?   363.133   17.701 0.000000 17.70119 
1 1 1  -28    8    2 o  1212.78   85.665 626026.31 83815.24 626026.31 83815.24   0.0000   0.0000  1212.78   85.665  ?   ?  0.000000 85.66512 
1 1 1  -28    8    3 o  416.487   20.531 70603.34  6943.19 70224.75  9859.94 70975.73  9778.88  413.767   29.542  416.043   29.131 -2.275177 41.48962 
1 1 1  -28    8    4 o  1083.34   52.253 484586.59 45963.56 472788.81 65027.09 496366.41 64977.52  1057.70   76.228  1084.97   74.203 -27.27393 106.3801 
1 1 1  -28    8    5 o  1124.34   54.403 523261.09 49665.99 495305.59 70255.80 551188.88 70220.86  1078.89   80.785  1141.23   76.218 -62.34558 111.0649 
1 1 1  -28    8    6 o  426.683   21.013 74153.33  7280.06 68959.16 10305.88 79326.76 10285.27  409.501   31.231  439.738   28.968 -30.23718 42.59702 
1 1 1  -28    8    7 o  1072.44   43.892 475021.50 38220.32 389135.00 66255.69 517855.69 46790.31  943.933   87.439  1116.11   51.631 -172.1824 101.5445 
1 1 1  -28    8    8 o  555.859   28.066 126959.50 12626.25   0.0000   0.0000 126959.50 12626.25  ?   ?   555.859   28.066 0.000000 28.06582 
1 1 1  -28    8    9 f  362.306   14.654 53484.06  4310.90 61019.65  7523.00 49799.93  5260.17  385.061   24.184  348.728   18.644 36.33231 30.53688 
1 1 1  -28    8   10 o  652.640   25.738 175435.41 13639.32 204556.20 23677.00 160972.50 16686.04  695.296   42.138  621.402   33.191 73.89435 53.63983 
1 1 1  -28    8   11 o  270.307   11.439 29762.43  2510.66 32127.46  4402.41 28622.51  3056.41  279.290   19.536  264.454   14.287 14.83633 24.20286 
1 1 1  -28    8   12 o  119.851   7.2921  5862.20  706.250  6687.94  1275.62  5497.20  848.096  127.456   12.486  115.870   9.0872 11.58669 15.44300 
1 1 1  -28    8   13 o  242.331   10.565 23931.76  2078.76 29952.36  3672.95 21094.41  2521.46  269.807   16.850  226.806   13.757 43.00153 21.75256 
1 1 1  -28    8   14 o  473.468   19.164 92356.03  7367.36 92564.43 12829.33 92253.49  8999.14  465.594   34.175  471.474   23.507 -5.879944 41.47890 
1 1 1  -28    8   15 o  530.836   18.427 116267.10  7942.37 117171.00 11215.11 115357.70 11249.39  528.624   26.129  523.655   26.544 4.968994 37.24643 
1 1 1  -28    8   16 o  224.696   8.7726 20590.05  1600.53 19638.21  2239.48 21583.83  2288.28  218.551   12.674  229.228   12.340 -10.67699 17.68919 
1 1 1  -28    8   17 o   72.117   6.8131  2137.89  394.227  2066.64  509.029  2244.67  623.171   70.545   9.0987   73.257   10.801 -2.712128 14.12233 
1 1 1  -28    8   18 o  195.628   7.9021 15651.93  1255.19 14096.88  1736.33 17354.10  1816.61  184.514   11.649  205.020   10.952 -20.50525 15.98926 
1 1 1  -28    8   19 f  224.963   8.9151 20822.67  1628.46 20481.29  2291.59 21170.92  2314.57  221.215   12.813  224.966   12.723 -3.751236 18.05692 
1 1 1  -28    8   20 o   96.719   7.4977  3867.36  584.218  4362.66  763.773  3168.92  906.978  102.289   9.2975   85.731   13.474 16.55812 16.37032 
1 1 1  -28    8   21 o   23.062   9.7464   28.188  313.912  175.104  353.973 -512.8978  679.309   27.128   10.769   27.553   12.768 -0.4250774 16.70319 
1 1 1  -28    8   22 o   46.096   10.417  930.033  380.715  997.361  423.694  647.763  867.537   47.590   11.158   43.818   17.018 3.771896 20.35033 
1 1 1  -28    8   23 o   88.172   8.1544  3282.41  577.186  3158.84  700.641  3543.36  1018.17   85.527   10.296   88.068   14.761 -2.541161 17.99693 
1 1 1  -28    8   24 o   71.565   9.2165  2224.66  523.110  2187.31  600.050  2342.96  1067.78   70.081   10.899   67.158   18.825 2.922989 21.75220 
1 1 1  -28    8   25 o   45.162   11.787  968.154  436.851  937.192  473.187  1146.84  1136.76   44.115   12.590   47.649   19.169 -3.534000 22.93353 
1 1 1  -28   10    1 o  959.505   37.662 376975.91 29341.68 354321.69 50927.90 388232.09 35898.56  918.808   68.763  971.828   45.494 -53.01990 82.44985 
1 1 1  -28   10    2 o  920.398   44.627 348169.69 33351.25 341243.69 47297.95 355018.69 47034.74  902.922   64.948  921.765   63.226 -18.84253 90.64052 
1 1 1  -28   10    3 f  744.489   36.021 226910.50 21774.52 224043.91 30900.81 229737.80 30687.95  734.687   52.139  744.328   51.086 -9.641479 72.99457 
1 1 1  -28   10    4 o  144.558   9.2365  8523.45  1078.49  9249.50  1583.97  7895.97  1472.54  150.281   13.112  138.747   13.231 11.53377 18.62785 
1 1 1  -28   10    5 o  485.872   23.457 96252.08  9254.05 103498.70 13142.19 89125.51 13032.90  501.836   32.426  465.092   34.763 36.74313 47.53857 
1 1 1  -28   10    6 o  353.371   18.286 50989.32  5228.68 41176.29  7436.28 60584.70  7353.35  315.875   29.328  384.578   23.663 -68.70313 37.68427 
1 1 1  -28   10    7 o  467.035   22.792 89115.41  8642.96 93795.55 12268.71 84504.40 12177.78  476.682   31.882  451.974   33.420 24.70770 46.18822 
1 1 1  -28   10    8 o  321.212   13.427 42010.54  3502.07 43649.98  6174.52 41233.02  4252.19  325.619   23.512  317.561   16.548 8.058502 28.75146 
1 1 1  -28   10    9 o  509.870   20.380 106453.00  8437.24 115480.00 14712.88 102029.90 10298.93  525.755   34.659  497.309   25.592 28.44626 43.08368 
1 1 1  -28   10   10 o  331.747   13.474 44878.11  3629.44 51637.36  6384.91 41651.41  4411.48  353.819   22.339  318.721   17.109 35.09848 28.13835 
1 1 1  -28   10   11 o  143.860   7.5660  8438.51  880.672 11207.29  1621.99  7281.04  1048.72  165.370   12.165  133.391   9.7502 31.97899 15.59019 
1 1 1  -28   10   12 o  168.565   8.2818 11560.71  1133.52 15086.90  2058.73 10026.71  1357.88  191.784   13.303  156.502   10.751 35.28131 17.10397 
1 1 1  -28   10   13 f   75.678   8.0578  2356.95  487.522  1457.19  955.854  2673.31  566.786   59.449   18.143   80.555   8.8089 -21.10589 20.16885 
1 1 1  -28   10   14 o  406.954   16.813 68064.83  5555.55 65410.84  9721.52 69351.88  6769.91  392.319   30.765  409.624   20.354 -17.30423 36.88855 
1 1 1  -28   10   15 o  341.845   14.429 47956.21  4004.88 48181.54  7051.27 47848.90  4865.88  337.763   25.908  340.115   17.681 -2.351685 31.36632 
1 1 1  -28   10   16 o  244.861   11.207 24542.23  2228.14 23889.93  4004.04 24834.83  2681.70  238.352   20.900  245.506   13.505 -7.153778 24.88351 
1 1 1  -28   10   17 o   44.767   14.158  818.032  576.338 -960.6705  1100.80  1489.73  676.463   34.638   16.120   58.871   14.295 -24.23207 21.54524 
1 1 1  -28   10   18 o   76.682   7.1816  2424.71  441.939  2651.36  558.065  2043.52  723.737   79.934   8.7407   68.996   13.402 10.93886 16.00028 
1 1 1  -28   10   19 o   97.133   10.372  3948.87  805.353  6647.60  2027.35  3443.21  877.565  121.535   21.322   90.061   12.324 31.47407 24.62733 
1 1 1  -28   10   20 o   70.673   8.2324  2087.30  463.560  1851.74  576.706  2517.37  779.236   65.709   11.211   76.247   13.056 -10.53788 17.20926 
1 1 1  -28   10   21 o  120.846   7.8824  6066.56  769.213  5884.82  1009.84  6317.77  1187.23  117.916   10.663  121.463   12.203 -3.547050 16.20510 
1 1 1  -28   10   22 o   77.707   8.6368  2552.18  535.720  2501.42  618.913  2703.85  1069.80   76.323   10.246   75.741   17.712 0.5826416 20.46172 
1 1 1  -28   10   23 o   42.214   10.938  796.804  377.964  920.409  411.930  138.665  950.523   45.282   11.253   38.242   16.574 7.039974 20.03312 
1 1 1  -28   10   24 o   37.262   11.345  627.171  374.037  638.192  405.304  563.898  971.157   37.617   11.870   41.744   17.357 -4.126537 21.02771 
1 1 1  -28   10   25 o   25.341   10.271  171.142  329.006  200.206  351.007 -39.1386  944.154   26.425   10.644   34.158   15.538 -7.732807 18.83438 
1 1 1  -28   12    1 o  1002.76   49.229 415496.31 40082.36   0.0000   0.0000 415496.31 40082.36  ?   ?   1002.76   49.229 0.000000 49.22868 
1 1 1  -28   12    2 o  295.901   16.386 35728.08  3921.67   0.0000   0.0000 35728.08  3921.67  ?   ?   295.901   16.386 0.000000 16.38639 
1 1 1  -28   12    3 o  334.848   16.891 45741.88  4577.64 50336.25  6599.52 41481.76  6354.93  350.573   23.317  317.898   24.816 32.67526 34.05228 
1 1 1  -28   12    4 o  844.683   41.738 294332.69 28626.41 275240.69 40602.96 313202.31 40365.79  806.794   62.468  863.273   57.923 -56.47968 85.18967 
1 1 1  -28   12    5 o  417.717   22.248 71425.98  7518.68 53927.21 10733.22 88286.24 10535.58  359.867   37.273  463.473   28.129 -103.6063 46.69592 
1 1 1  -28   12    6 o  190.643   11.060 14829.54  1704.67 15910.73  2487.89 13872.73  2340.39  197.017   15.682  183.865   15.831 13.15253 22.28322 
1 1 1  -28   12    7 o   81.317   10.983  2738.67  706.590   0.0000   0.0000  2738.67  706.590  ?   ?    81.317   10.983 0.000000 10.98260 
1 1 1  -28   12    8 o  282.316   15.090 32602.95  3446.57 30938.78  4953.41 34164.75  4798.65  273.723   22.486  288.093   20.651 -14.36948 30.52987 
1 1 1  -28   12    9 o  442.183   18.070 79997.66  6487.67 83853.85 11381.74 78141.74  7896.00  448.190   31.475  435.569   22.402 12.62164 38.63343 
1 1 1  -28   12   10 o  145.058   7.4954  8578.17  879.808 12033.73  1695.30  7304.44  1029.26  171.389   12.263  133.633   9.5487 37.75557 15.54231 
1 1 1  -28   12   11 o  347.724   20.329 49865.00  5714.59 31245.18  8230.69 67194.77  7940.44  268.985   38.808  402.518   24.411 -133.5324 45.84665 
1 1 1  -28   12   12 o  108.679   7.5735  4827.94  664.138  4692.45  1319.70  4873.88  768.552  105.913   15.832  109.074   8.7516 -3.161232 18.08950 
1 1 1  -28   12   13 o  170.812   8.7987 11913.99  1216.19 12059.92  2243.49 11853.25  1447.30  170.661   16.392  170.164   10.527 0.4968262 19.48084 
1 1 1  -28   12   14 o  378.650   16.040 58927.82  4931.55 53207.25  8694.04 61641.59  5988.11  352.997   30.637  386.289   19.091 -33.29175 36.09831 
1 1 1  -28   12   15 o  122.333   8.5445  6130.93  843.396  4666.54  1685.05  6620.42  974.207  104.209   20.645  127.014   9.5155 -22.80494 22.73191 
1 1 1  -28   12   16 o  132.641   8.5517  7212.43  916.111  8565.02  1757.78  6708.03  1073.42  143.173   15.360  127.587   10.453 15.58574 18.57997 
1 1 1  -28   12   17 o  146.113   9.3832  8788.68  1107.32  7643.51  2074.12  9245.20  1309.57  133.037   19.805  149.531   10.860 -16.49408 22.58701 
1 1 1  -28   12   18 o   42.252   14.766  677.954  623.853  1600.25  1467.52  474.514  689.232   63.419   22.602   39.797   15.245 23.62184 27.26331 
1 1 1  -28   12   19 o  195.337   10.980 15926.80  1734.37 14770.42  3357.92 16347.54  2025.46  179.593   23.599  196.990   12.731 -17.39697 26.81379 
1 1 1  -28   12   20 o   86.049   12.342  3182.81  837.632  4935.01  2327.09  2922.00  897.810   98.576   27.846   81.741   14.033 16.83540 31.18201 
1 1 1  -28   12   21 o  104.415   12.242  4703.59  1018.20  7086.69  2282.74  4111.70  1137.64  119.382   24.374   96.116   15.073 23.26611 28.65777 
1 1 1  -28   12   22 o   22.006   10.854 -1406.0490  696.729 -5111.7622  2428.51 -1073.6770  727.304   37.947   18.971   24.513   11.870 13.43365 22.37790 
1 1 1  -28   12   23 o  111.883   17.258  6031.57  1517.43  8188.11  3343.93  5472.33  1702.85  103.773   34.210  102.538   21.155 1.234962 40.22275 
1 1 1  -28   12   24 o   37.536   16.788   76.356  1049.68   0.0000   0.0000   76.356  1049.68  ?   ?    37.536   16.788 0.000000 16.78847 
1 1 1  -28   12   25 o   62.740   21.175  2646.38  1279.85   0.0000   0.0000  2646.38  1279.85  ?   ?    62.740   21.175 0.000000 21.17513 
1 1 1  -28   14    1 o  401.696   29.918 66519.71  9688.13   0.0000   0.0000 66519.71  9688.13  ?   ?   401.696   29.918 0.000000 29.91775 
1 1 1  -28   14    2 o   51.428   16.199  1061.42  755.124   0.0000   0.0000  1061.42  755.124  ?   ?    51.428   16.199 0.000000 16.19900 
1 1 1  -28   14    5 o  176.110   15.098 12730.62  2138.02   0.0000   0.0000 12730.62  2138.02  ?   ?   176.110   15.098 0.000000 15.09757 
1 1 1  -28   14    6 o  632.689   45.098 169602.20 23016.28   0.0000   0.0000 169602.20 23016.28  ?   ?   632.689   45.098 0.000000 45.09818 
1 1 1  -28   14    7 o  275.632   20.775 31305.71  4615.31   0.0000   0.0000 31305.71  4615.31  ?   ?   275.632   20.775 0.000000 20.77481 
1 1 1  -28   14    8 o  274.141   14.643 30753.87  3247.74 32621.26  4714.63 29067.48  4480.32  281.264   20.791  265.382   20.963 15.88211 29.52496 
1 1 1  -28   14    9 o  202.971   12.015 16847.64  1971.34 17199.76  2916.40 16551.40  2675.01  204.222   17.765  200.511   16.579 3.710693 24.29912 
1 1 1  -28   14   10 o  275.073   11.302 30835.76  2524.25 35819.44  4599.50 28687.75  3019.62  294.786   19.323  264.671   14.102 30.11484 23.92159 
1 1 1  -28   14   11 o  200.573   9.5493 16383.23  1555.19 15881.57  2955.66 16575.29  1828.82  195.738   18.829  201.317   11.233 -5.578979 21.92527 
1 1 1  -28   14   12 o   85.166   7.3022  2972.47  500.083  5349.58  1154.98  2424.01  554.782  113.734   12.725   76.613   9.0960 37.12156 15.64162 
1 1 1  -28   14   13 o  182.146   9.3925 13559.33  1384.40 10934.44  2602.77 14594.91  1634.84  161.402   20.310  188.810   10.708 -27.40787 22.95996 
1 1 1  -28   14   14 o  125.196   8.1743  6413.37  826.398  7751.66  1721.53  6012.64  942.034  136.375   15.842  121.009   9.6683 15.36579 18.55920 
1 1 1  -28   14   15 o  274.939   12.438 31017.45  2776.71 28958.10  5069.13 31900.24  3318.92  260.854   24.209  277.850   14.764 -16.99554 28.35587 
1 1 1  -28   14   16 o  150.830   9.6260  9356.26  1172.73  7336.52  2301.17 10064.86  1363.02  129.586   22.697  156.203   10.813 -26.61726 25.14153 
1 1 1  -28   14   17 o  235.136   11.690 22875.13  2231.93 18166.12  4126.61 24822.27  2653.55  201.165   25.863  243.859   13.453 -42.69443 29.15300 
1 1 1  -28   14   18 o  122.035   10.037  6198.12  985.762  5959.78  2497.03  6242.13  1072.91  111.502   27.703  122.196   10.929 -10.69437 29.78120 
1 1 1  -28   14   19 o   56.469   15.081  1411.58  704.545 -1262.7080  2228.94  1708.44  742.620   49.744   23.079   62.090   14.917 -12.34521 27.47949 
1 1 1  -28   14   20 o  102.161   11.315  4445.57  922.817  5717.32  2705.08  4278.07  981.708  103.037   30.310   99.742   12.389 3.294342 32.74374 
1 1 1  -28   14   21 o  101.513   12.543  4487.04  1011.88  6130.44  2952.26  4268.28  1077.13  101.298   32.043   98.248   13.889 3.049515 34.92395 
1 1 1  -28   14   22 f  110.462   13.430  5451.27  1179.74  6329.34  2893.22  5276.16  1292.03   98.165   31.793  107.290   15.261 -9.125557 35.26574 
1 1 1  -28   14   23 o   61.494   20.917  2052.35  1248.89  1750.57  3302.95  2102.70  1349.04   61.325   28.325   61.760   21.706 -0.4350471 35.68526 
1 1 1  -28   14   24 o   49.166   20.229  1257.55  1300.00   0.0000   0.0000  1257.55  1300.00  ?   ?    49.166   20.229 0.000000 20.22888 
1 1 1  -28   14   25 o   43.248   19.053  984.518  1301.49   0.0000   0.0000  984.518  1301.49  ?   ?    43.248   19.053 0.000000 19.05338 
1 1 1  -28   16    1 o  134.992   15.124  7518.90  1629.23   0.0000   0.0000  7518.90  1629.23  ?   ?   134.992   15.124 0.000000 15.12394 
1 1 1  -28   16    2 f  149.837   10.951  9182.56  1323.11 11921.42  2034.85  7176.38  1741.53  170.389   14.857  131.598   16.672 38.79140 22.33126 
1 1 1  -28   16    3 o  407.725   17.706 67884.62  5861.87 66157.24 10207.04 68734.70  7160.43  398.748   31.790  409.130   21.631 -10.38226 38.45140 
1 1 1  -28   16    4 o  269.624   22.508 30013.22  4882.52 30013.22  4882.52   0.0000   0.0000  269.624   22.508  ?   ?  0.000000 22.50794 
1 1 1  -28   16    5 o  452.833   33.594 85697.18 12263.95 85697.18 12263.95   0.0000   0.0000  452.833   33.594  ?   ?  0.000000 33.59398 
1 1 1  -28   16    7 o  482.453   35.650 97955.37 13866.60 97955.37 13866.60   0.0000   0.0000  482.453   35.650  ?   ?  0.000000 35.65028 
1 1 1  -28   16   10 o   94.545   10.020  3681.88  757.474   0.0000   0.0000  3681.88  757.474  ?   ?    94.545   10.020 0.000000 10.01987 
1 1 1  -28   16   11 o  315.340   16.030 40876.08  4090.77   0.0000   0.0000 40876.08  4090.77  ?   ?   315.340   16.030 0.000000 16.02951 
1 1 1  -28   16   12 o  110.398   8.6976  4995.32  773.336   0.0000   0.0000  4995.32  773.336  ?   ?   110.398   8.6976 0.000000 8.697594 
1 1 1  -28   16   13 o  107.783   8.8611  4767.36  768.620   0.0000   0.0000  4767.36  768.620  ?   ?   107.783   8.8611 0.000000 8.861094 
1 1 1  -28   16   14 o   65.287   10.823  1789.08  553.628   0.0000   0.0000  1789.08  553.628  ?   ?    65.287   10.823 0.000000 10.82282 
1 1 1  -28   16   15 o  213.512   12.479 18825.84  2154.00   0.0000   0.0000 18825.84  2154.00  ?   ?   213.512   12.479 0.000000 12.47900 
1 1 1  -28   16   16 o   42.639   14.453  708.656  596.283   0.0000   0.0000  708.656  596.283  ?   ?    42.639   14.453 0.000000 14.45321 
1 1 1  -28   16   17 o  146.851   11.085  8984.89  1311.99   0.0000   0.0000  8984.89  1311.99  ?   ?   146.851   11.085 0.000000 11.08483 
1 1 1  -28   16   18 o  112.545   11.199  5328.18  1009.78   0.0000   0.0000  5328.18  1009.78  ?   ?   112.545   11.199 0.000000 11.19877 
1 1 1  -28   16   19 o   20.242   9.8509 -886.6819  517.654   0.0000   0.0000 -886.6819  517.654  ?   ?    20.242   9.8509 0.000000 9.850874 
1 1 1  -28   16   20 o  103.235   12.510  4610.66  1027.20  4124.06  2564.18  4703.67  1121.09   86.779   29.958  103.697   13.646 -16.91875 32.91921 
1 1 1  -28   16   21 o   35.760   15.068  190.777  746.784   6.8666  2365.23  211.141  787.043   54.168   24.622   36.730   15.473 17.43766 29.08019 
1 1 1  -28   16   22 o  126.836   18.488  7872.73  1848.01  5908.51  3478.05  8645.40  2181.41   85.949   33.872  129.277   21.539 -43.32744 40.14015 
1 1 1  -28   16   23 o   78.767   23.325  3784.46  1597.44   0.0000   0.0000  3784.46  1597.44  ?   ?    78.767   23.325 0.000000 23.32539 
1 1 1  -28   16   24 o   26.588   12.848 -888.3306  841.434   0.0000   0.0000 -888.3306  841.434  ?   ?    26.588   12.848 0.000000 12.84834 
1 1 1  -28   18    1 o  608.646   30.784 153764.41 15164.22   0.0000   0.0000 153764.41 15164.22  ?   ?   608.646   30.784 0.000000 30.78442 
1 1 1  -28   18    2 o  308.249   14.245 38744.19  3565.37 36959.96  6327.23 39574.34  4315.81  298.381   26.388  310.762   17.171 -12.38177 31.48254 
1 1 1  -28   18    3 o   74.834   10.097  2319.81  597.861  2670.28  1098.19  2172.19  712.738   79.296   17.523   71.970   12.659 7.326622 21.61717 
1 1 1  -28   18    4 o  421.028   30.873 73933.56 10480.70   0.0000   0.0000 73933.56 10480.70  ?   ?   421.028   30.873 0.000000 30.87303 
1 1 1  -28   18    5 o  217.467   13.718 19364.67  2409.86 17869.99  3634.18 20537.71  3219.50  207.461   21.905  223.332   17.905 -15.87112 28.29166 
1 1 1  -28   18    6 o  153.377   12.077  9646.24  1491.88  5807.20  2338.84 12279.83  1937.15  116.412   25.453  172.923   13.914 -56.51025 29.00817 
1 1 1  -28   18    7 o  525.980   26.870 114931.60 11437.17 112438.60 16387.68 117299.10 15969.62  513.466   39.613  525.702   37.662 -12.23608 54.65907 
1 1 1  -28   18    8 o  405.413   20.802 67812.02  6824.49 70605.38  9869.97 65253.20  9446.53  410.288   29.831  394.403   29.716 15.88504 42.10658 
1 1 1  -28   18    9 o  461.867   35.169 90832.09 13090.05 90832.09 13090.05   0.0000   0.0000  461.867   35.169  ?   ?  0.000000 35.16920 
1 1 1  -28   18   10 o  145.828   7.9389  8680.67  936.481 14016.19  2208.79  7511.38  1034.02  184.414   14.878  135.453   9.4610 48.96051 17.63111 
1 1 1  -28   18   11 o  147.376   10.547  8906.84  1253.70  8263.12  2329.25  9169.39  1487.56  139.776   21.187  149.265   12.386 -9.489609 24.54203 
1 1 1  -28   18   12 o  165.010   11.589 11185.69  1542.85  9025.71  2714.96 12215.93  1875.03  145.219   23.854  172.123   13.525 -26.90413 27.42132 
1 1 1  -28   18   13 o  121.226   10.111  6046.60  986.170  5773.33  1910.92  6145.79  1151.33  115.936   21.076  121.939   11.775 -6.002228 24.14202 
1 1 1  -28   18   14 o   20.528   10.031 -1041.1680  552.759  491.243  1296.35 -1381.6960  611.097   50.270   20.383   20.341   10.058 29.92874 22.72936 
1 1 1  -28   18   15 o  191.919   13.545 15354.82  2097.14 11625.23  3478.84 17483.85  2628.42  160.248   27.741  203.824   16.011 -43.57623 32.02965 
1 1 1  -28   18   16 o   53.438   14.912  1236.43  671.644 -229.2842  1412.57  1664.59  763.466   45.090   19.858   61.704   15.311 -16.61380 25.07549 
1 1 1  -28   18   17 o  266.106   17.153 30552.92  3686.48 26204.47  5742.28 33601.67  4808.15  231.286   31.388  274.286   21.768 -43.00023 38.19760 
1 1 1  -28   18   18 o  247.376   16.228 26573.39  3241.56 25891.23  5168.23 27015.78  4161.99  229.818   28.294  243.937   21.224 -14.11905 35.36959 
1 1 1  -28   18   19 o  250.815   17.023 27936.96  3446.19 25543.83  5461.33 29520.34  4442.29  218.678   31.681  250.795   22.038 -32.11717 38.59197 
1 1 1  -28   18   20 o  133.777   15.372  8013.47  1639.36  5146.09  3237.69  9002.05  1901.07   90.636   33.395  140.443   17.018 -49.80700 37.48131 
1 1 1  -28   18   21 o   31.734   14.859 -696.9084  958.933 -2460.1841  2044.80 -199.7915  1085.73   39.934   19.465   37.566   16.916 2.367691 25.78885 
1 1 1  -28   18   22 o   53.532   25.336   74.122  2923.21   74.122  2923.21   0.0000   0.0000   53.532   25.336  ?   ?  0.000000 25.33630 
1 1 1  -28   20    1 o  410.823   21.976 69530.88  7304.23   0.0000   0.0000 69530.88  7304.23  ?   ?   410.823   21.976 0.000000 21.97647 
1 1 1  -28   20    2 o  543.396   28.013 122568.70 12317.67   0.0000   0.0000 122568.70 12317.67  ?   ?   543.396   28.013 0.000000 28.01265 
1 1 1  -28   20    3 o  384.029   20.355 60689.73  6324.31   0.0000   0.0000 60689.73  6324.31  ?   ?   384.029   20.355 0.000000 20.35465 
1 1 1  -28   20    4 o  425.763   18.292 74273.16  6323.65 77346.95 11071.84 72785.02  7703.81  429.380   31.986  419.861   22.682 9.519012 39.21215 
1 1 1  -28   20    5 o  276.195   15.997 31303.76  3572.18 32657.18  5351.69 30216.23  4797.31  280.365   23.731  270.033   22.073 10.33182 32.40969 
1 1 1  -28   20    6 o  208.314   13.346 17787.51  2245.48 20518.37  3488.15 15854.94  2934.36  222.664   19.490  195.684   18.696 26.98062 27.00672 
1 1 1  -28   20    7 o  278.798   15.662 31918.83  3531.02 35704.17  5283.65 28863.85  4746.64  293.251   22.358  263.487   22.399 29.76440 31.64821 
1 1 1  -28   20    8 o  107.768   21.508  4959.74  1816.11  4959.74  1816.11   0.0000   0.0000  107.768   21.508  ?   ?  0.000000 21.50816 
1 1 1  -28   20    9 o  242.587   14.897 24201.10  2920.09 23294.65  4446.53 24888.46  3872.08  235.734   23.546  244.883   19.639 -9.148926 30.66067 
1 1 1  -28   20   10 o  249.086   15.076 25547.75  3034.70 25546.93  4625.46 25548.37  4021.13  246.687   23.371  247.729   20.166 -1.041885 30.86873 
1 1 1  -28   20   11 o  201.870   10.845 16698.20  1771.07 13513.07  3790.09 17587.99  2003.23  177.081   27.232  206.990   11.970 -29.90871 29.74662 
1 1 1  -28   20   12 o  110.085   8.0780  4967.89  717.008  2031.82  2260.41  5296.36  756.052   75.744   27.904  113.661   8.2484 -37.91787 29.09763 
1 1 1  -28   20   13 o  119.181   8.9332  5839.74  858.181  5220.73  2423.39  5928.50  917.647  107.777   27.578  119.992   9.4962 -12.21468 29.16760 
1 1 1  -28   20   14 o  198.262   10.631 16221.23  1705.24 14544.27  3601.19 16705.91  1936.05  181.137   25.165  200.794   11.928 -19.65656 27.84886 
1 1 1  -28   20   15 o  200.800   10.438 16692.41  1696.00 19350.84  3708.28 15989.26  1907.15  209.507   22.134  195.885   12.049 13.62093 25.20120 
1 1 1  -28   20   16 o   64.295   11.480  1769.20  577.313  508.656  2143.75  1867.77  599.460   59.455   25.313   66.071   11.597 -6.615685 27.84294 
1 1 1  -28   20   17 o   49.791   14.249  1083.52  605.239  1318.13  2248.57  1065.20  628.432   65.263   26.699   49.468   14.625 15.79447 30.44235 
1 1 1  -28   20   18 o  171.641   11.052 12436.64  1532.11 10180.50  3524.65 12962.25  1701.25  136.960   32.231  174.606   12.074 -37.64595 34.41847 
1 1 1  -28   20   19 o  112.906   11.153  5456.82  1009.14  3281.04  3070.74  5720.25  1068.48   78.650   31.553  115.407   11.558 -36.75673 33.60295 
1 1 1  -28   20   20 o   58.756   16.368  1630.60  809.922  1159.88  2437.91  1688.99  858.695   60.293   26.332   59.586   16.944 0.7067223 31.31247 
1 1 1  -28   20   21 o   38.686   16.557  268.695  925.976 -788.2516  3059.41  375.282  971.545   52.607   25.182   40.404   17.115 12.20268 30.44778 
1 1 1  -28   20   22 o   48.644   19.369  1156.63  1148.30   0.0000   0.0000  1156.63  1148.30  ?   ?    48.644   19.369 0.000000 19.36923 
1 1 1  -28   20   23 o   33.555   16.054 -652.9705  1240.03   0.0000   0.0000 -652.9705  1240.03  ?   ?    33.555   16.054 0.000000 16.05447 
1 1 1  -28   22    1 o  392.092   21.690 63477.88  6878.65   0.0000   0.0000 63477.88  6878.65  ?   ?   392.092   21.690 0.000000 21.69042 
1 1 1  -28   22    2 o  616.125   31.972 159326.50 15939.60   0.0000   0.0000 159326.50 15939.60  ?   ?   616.125   31.972 0.000000 31.97170 
1 1 1  -28   22    3 o  345.442   15.996 48839.89  4486.67 49477.55  8048.41 48552.39  5404.29  343.365   29.143  343.227   19.472 0.1375732 35.04976 
1 1 1  -28   22    4 f   98.231   12.439  3999.47  969.925  3366.00  2004.29  4193.19  1108.35   89.173   26.050  100.356   13.981 -11.18356 29.56455 
1 1 1  -28   22    5 o  256.144   15.824 26971.70  3274.95 28443.15  5003.35 25868.72  4331.85  261.051   23.869  249.491   21.597 11.56023 32.18898 
1 1 1  -28   22    6 o  407.388   21.171 68698.59  6978.80 76643.02 10276.86 61899.74  9507.07  426.399   29.872  382.513   30.873 43.88641 42.95866 
1 1 1  -28   22    7 o  651.456   51.491 191871.50 27014.76 191871.50 27014.76   0.0000   0.0000  651.456   51.491  ?   ?  0.000000 51.49110 
1 1 1  -28   22    8 o  231.982   15.347 22174.27  2874.37 19504.20  4436.67 24105.62  3773.35  214.509   26.004  240.872   19.459 -26.36336 32.47882 
1 1 1  -28   22    9 o  105.824   13.514  4661.22  1134.70  4262.09  2112.87  4823.00  1345.14   98.969   25.968  107.178   15.943 -8.208084 30.47093 
1 1 1  -28   22   10 o  145.863   13.213  8797.79  1547.94  8268.03  2696.00  9058.32  1890.63  138.239   24.936  147.400   16.057 -9.160889 29.65858 
1 1 1  -28   22   11 f  215.938   14.725 19323.63  2566.39 19030.00  4120.86 19509.67  3280.16  210.556   24.565  215.570   18.932 -5.013870 31.01398 
1 1 1  -28   22   12 o  159.156   8.9485 10396.73  1151.72 11743.60  2907.77 10146.11  1254.30  164.827   22.299  157.031   9.8878 7.795853 24.39305 
1 1 1  -28   22   13 o   87.192   8.8402  3148.23  617.205  4328.44  2105.05  3037.23  645.577   97.361   26.097   85.503   9.4572 11.85758 27.75752 
1 1 1  -28   22   14 o  112.689   9.3660  5262.34  849.229  1624.73  2504.39  5734.96  902.713   71.571   28.571  117.631   9.5333 -46.05976 30.11978 
1 1 1  -28   22   15 o   30.810   12.180  229.806  451.060  664.035  2299.32  212.426  459.998   62.081   26.315   30.714   12.250 31.36746 29.02632 
1 1 1  -28   22   16 o  220.509   11.655 20425.46  2079.33 25730.72  4822.12 19213.68  2304.60  233.167   25.908  212.701   13.413 20.46614 29.17430 
1 1 1  -28   22   17 o   61.317   13.466  1661.77  652.085  4059.14  2804.19  1524.72  670.465   87.801   31.249   58.499   14.248 29.30213 34.34380 
1 1 1  -28   22   18 f   71.080   13.233  2235.75  735.603  542.920  2621.08  2380.48  766.404   60.531   26.834   73.342   13.362 -12.81082 29.97686 
1 1 1  -28   22   19 o   75.884   14.040  2603.09  833.241  2120.88  3429.99  2633.33  858.972   69.944   30.867   76.128   14.424 -6.183647 34.07097 
1 1 1  -28   22   20 o   28.349   13.488 -846.3703  849.832 -97.6171  3440.02 -895.0369  877.016   57.578   27.319   28.617   13.639 28.96139 30.53405 
1 1 1  -28   22   21 o   38.101   17.285 -65.8158  1158.31  424.480  3177.46 -140.9557  1243.90   54.050   25.816   38.657   17.681 15.39262 31.29034 
1 1 1  -28   22   22 o   51.272   21.425  1602.92  1490.29   0.0000   0.0000  1602.92  1490.29  ?   ?    51.272   21.425 0.000000 21.42549 
1 1 1  -28   24    1 o  404.633   22.614 67916.70  7400.17   0.0000   0.0000 67916.70  7400.17  ?   ?   404.633   22.614 0.000000 22.61432 
1 1 1  -28   24    2 f  620.615   32.528 162973.91 16334.37   0.0000   0.0000 162973.91 16334.37  ?   ?   620.615   32.528 0.000000 32.52785 
1 1 1  -28   24    3 o  252.251   14.199 26116.13  2896.39 25408.05  5424.09 26398.56  3425.69  245.103   27.743  253.080   16.766 -7.976425 32.41552 
1 1 1  -28   24    4 o  297.726   14.749 36306.01  3565.53 45069.40  6537.88 32596.21  4253.80  328.263   24.710  280.743   18.769 47.51993 31.02996 
1 1 1  -28   24    5 f  264.129   14.627 28670.79  3124.78 29454.85  5702.84 28334.39  3735.44  263.976   26.986  261.842   17.673 2.133606 32.25806 
1 1 1  -28   24    6 o  312.716   29.136 41596.09  7312.90 41596.09  7312.90   0.0000   0.0000  312.716   29.136  ?   ?  0.000000 29.13594 
1 1 1  -28   24    7 o  154.292   14.190  9846.38  1757.80 11622.43  3196.91  9076.76  2104.47  164.971   24.620  147.249   17.975 17.72141 30.48329 
1 1 1  -28   24    8 o  331.922   19.051 45843.14  5112.83 49335.58  7818.03 43233.24  6758.42  339.304   28.645  318.795   26.345 20.50861 38.91805 
1 1 1  -28   24    9 o  151.974   14.044  9586.83  1713.45  9601.58  2984.45  9579.57  2092.73  148.469   25.686  151.049   17.380 -2.579498 31.01355 
1 1 1  -28   24   10 o  156.338   14.134 10178.44  1774.76  9996.58  3150.74 10262.96  2147.93  150.287   26.803  156.053   17.239 -5.765579 31.86818 
1 1 1  -28   24   11 o  138.605   14.406  8061.42  1597.62  5539.76  2975.67  9082.68  1893.70  109.115   31.702  146.614   16.177 -37.49867 35.59063 
1 1 1  -28   24   12 o  278.604   14.013 32451.34  3159.80 26188.13  6503.20 34386.94  3615.24  233.012   35.494  285.807   15.638 -52.79445 38.78590 
1 1 1  -28   24   13 o   59.961   10.246  1524.76  480.921  7310.87  2269.89  1252.83  492.092  127.280   22.801   53.961   11.578 73.31979 25.57228 
1 1 1  -28   24   14 o  242.492   11.782 24537.66  2319.83 26336.36  5219.68 24094.92  2589.64  236.243   27.739  239.016   13.398 -2.773682 30.80502 
1 1 1  -28   24   15 f  103.166   9.4421  4447.65  782.167  6290.81  2537.43  4254.12  822.205  112.472   27.916  100.639   10.203 11.83300 29.72203 
1 1 1  -28   24   16 o  128.334   10.062  6919.44  1040.11  9656.15  3742.86  6690.42  1082.75  130.624   34.701  125.908   10.692 4.716415 36.31078 
1 1 1  -28   24   17 o   23.591   10.902 -357.9465  490.131 -1433.3571  3252.96 -332.9651  495.791   57.113   26.938   24.015   11.050 33.09724 29.11591 
1 1 1  -28   24   18 o   50.116   14.730  1144.96  639.139  4039.08  3717.69  1056.82  648.798   80.433   33.742   48.364   14.980 32.06805 36.91745 
1 1 1  -28   24   19 o   44.470   19.154  400.871  1253.74  2095.96  4026.95  218.929  1319.31   67.282   31.146   43.734   19.228 23.54801 36.60328 
1 1 1  -28   24   20 o   35.803   16.748 -561.9800  1213.19  619.371  3547.97 -718.3960  1291.01   56.523   27.073   36.009   16.980 20.51403 31.95731 
1 1 1  -28   24   21 o   55.149   22.414  1962.64  1571.71   0.0000   0.0000  1962.64  1571.71  ?   ?    55.149   22.414 0.000000 22.41411 
1 1 1  -28   26    1 o  414.806   23.845 71971.63  7997.30   0.0000   0.0000 71971.63  7997.30  ?   ?   414.806   23.845 0.000000 23.84468 
1 1 1  -28   26    2 o  340.700   20.953 48310.86  5768.31   0.0000   0.0000 48310.86  5768.31  ?   ?   340.700   20.953 0.000000 20.95313 
1 1 1  -28   26    3 o  399.953   35.725 69633.51 11479.60   0.0000   0.0000 69633.51 11479.60  ?   ?   399.953   35.725 0.000000 35.72524 
1 1 1  -28   26    4 o  404.923   25.145 69114.08  8226.30 65690.48 11641.19 72528.92 11626.31  386.119   37.608  407.574   35.486 -21.45453 51.70714 
1 1 1  -28   26    5 o   35.679   15.081   46.027  751.745 -2046.4500  1885.51  441.509  819.713   43.391   20.479   42.118   16.491 1.273842 26.29350 
1 1 1  -28   26    6 o  305.409   16.621 38683.03  4106.08 39659.25  7435.53 38254.71  4925.16  301.768   30.777  302.207   20.188 -0.4395752 36.80686 
1 1 1  -28   26    7 o   50.643   17.755  953.297  902.390  241.694  2264.57  1087.62  983.878   61.361   26.068   53.535   18.553 7.826729 31.99564 
1 1 1  -28   26    8 f  290.553   18.916 35551.86  4438.26 34386.52  7041.79 36319.88  5716.66  276.868   31.908  290.226   24.487 -13.35818 40.22090 
1 1 1  -28   26    9 o  190.009   15.703 15153.55  2400.95 15352.28  4228.16 15058.98  2916.83  184.258   29.237  187.820   19.406 -3.562073 35.09157 
1 1 1  -28   26   10 o   59.692   18.535  1516.23  992.587  192.109  2289.55  1822.69  1101.48   60.197   25.906   64.862   19.406 -4.664761 32.36827 
1 1 1  -28   26   11 o   83.967   17.510  3097.83  1155.14  2545.02  2526.74  3243.90  1298.81   79.235   29.442   85.444   19.190 -6.209137 35.14366 
1 1 1  -28   26   12 o  180.045   11.138 13504.29  1620.21 11927.83  4314.78 13763.05  1748.13  152.684   35.480  181.429   11.933 -28.74551 37.43279 
1 1 1  -28   26   13 o   83.494   8.9989  2910.41  600.436  4407.90  2855.07  2841.12  614.171   94.009   31.627   82.395   9.3455 11.61468 32.97919 
1 1 1  -28   26   14 o   73.667   9.8559  2293.46  574.760  1567.61  2529.75  2332.96  590.195   68.793   28.251   74.252   10.047 -5.459335 29.98486 
1 1 1  -28   26   15 o   30.146   11.795  246.809  419.076 -2781.1919  2921.88  310.408  423.454   50.764   24.382   31.490   11.977 19.27373 27.16462 
1 1 1  -28   26   16 f  100.704   9.8282  4295.64  793.391  9671.01  3649.64  4029.01  812.830  126.706   34.531   97.235   10.460 29.47104 36.08036 
1 1 1  -28   26   17 o   45.219   14.322  908.977  589.606 -2848.1909  3525.33  1017.10  598.030   53.125   25.819   47.464   14.321 5.660755 29.52519 
1 1 1  -28   26   18 o   31.200   14.670 -728.2781  951.281  2881.78  3705.34 -983.0128  984.271   69.862   31.374   30.286   14.439 39.57584 34.53671 
1 1 1  -28   26   19 o   46.635   20.114  690.333  1386.40 -790.7844  4775.24  826.671  1448.81   56.807   28.093   48.197   20.671 8.609905 34.87880 
1 1 1  -28   26   20 o   44.722   19.907  666.259  1456.82 -2591.0200  5586.22  903.955  1509.04   50.934   25.858   46.705   20.549 4.228760 33.02851 
1 1 1  -28   28    1 o  223.947   18.247 20998.40  3289.21   0.0000   0.0000 20998.40  3289.21  ?   ?   223.947   18.247 0.000000 18.24740 
1 1 1  -28   28    2 o   67.139   21.689  1857.62  1347.17   0.0000   0.0000  1857.62  1347.17  ?   ?    67.139   21.689 0.000000 21.68911 
1 1 1  -28   28    3 o   89.274   20.996  3479.51  1496.43   0.0000   0.0000  3479.51  1496.43  ?   ?    89.274   20.996 0.000000 20.99612 
1 1 1  -28   28    4 o  179.895   15.927 13529.98  2302.41 10363.14  4874.36 14439.47  2612.19  147.079   39.833  185.320   17.570 -38.24124 43.53574 
1 1 1  -28   28    5 o   38.099   16.468 -78.3144  933.312  1564.01  2199.47 -438.9694  1030.71   70.323   27.158   36.906   16.562 33.41774 31.80954 
1 1 1  -28   28    6 o  183.965   15.666 14197.14  2317.83 17980.19  4877.95 13093.90  2634.21  198.552   31.293  175.390   18.790 23.16248 36.50079 
1 1 1  -28   28    7 o  148.718   15.516  9332.46  1846.05 12493.35  3945.71  8446.66  2088.75  164.373   30.692  140.165   18.829 24.20874 36.00775 
1 1 1  -28   28    8 o  277.254   19.257 32929.84  4308.30 33615.03  7092.87 32529.23  5423.43  266.809   33.477  270.865   24.940 -4.056427 41.74585 
1 1 1  -28   28    9 o  256.178   18.486 28174.51  3819.32 30166.07  6511.67 27130.06  4715.65  251.536   32.653  247.045   23.803 4.491028 40.40794 
1 1 1  -28   28   10 o  174.547   17.568 13148.03  2456.08  8155.24  4702.86 15020.52  2880.05  122.448   40.580  185.492   19.410 -63.04375 44.98311 
1 1 1  -28   28   11 o  160.180   18.016 11205.31  2302.51  1244.54  4512.47 14711.59  2677.26   80.947   35.575  183.625   18.196 -102.6782 39.95877 
1 1 1  -28   28   12 o   43.774   10.877  829.898  384.905  1766.86  2887.81  812.952  388.370   72.931   30.095   43.323   11.016 29.60791 32.04772 
1 1 1  -28   28   13 o   38.161   11.257  622.557  372.649 -107.1624  2917.14  634.662  375.727   61.646   27.747   38.497   11.288 23.14877 29.95526 
1 1 1  -28   28   14 o   31.148   11.690  319.156  400.281  2164.78  3439.50  293.816  403.019   74.934   31.986   30.681   11.680 44.25316 34.05241 
1 1 1  -28   28   15 o   42.098   12.730  774.922  472.144   20.932  3718.99  787.273  475.996   64.668   29.934   42.400   12.773 22.26823 32.54565 
1 1 1  -28   28   16 o   85.491   11.111  3178.30  753.027  5098.13  4340.74  3118.73  764.620   83.817   35.860   84.512   11.436 -0.6956253 37.63934 
1 1 1  -28   28   17 o  107.900   21.776  6105.78  1842.05  6009.19  4411.40  6126.18  2027.24   81.470   35.505  105.077   24.253 -23.60623 42.99778 
1 1 1  -28   28   18 o   54.490   21.806  1545.75  1462.60 -3460.3679  4109.98  2271.66  1565.05   49.621   24.788   61.853   23.134 -12.23161 33.90586 
1 1 1  -28   28   19 f   85.775   25.829  5266.91  1946.72  8468.35  5899.53  4875.73  2062.23   65.269   32.074   79.133   26.878 -13.86383 41.84698 
1 1 1  -28   30    1 o   80.399   22.603  2864.25  1537.13   0.0000   0.0000  2864.25  1537.13  ?   ?    80.399   22.603 0.000000 22.60346 
1 1 1  -28   30    2 o  197.321   19.474 16661.40  3079.35   0.0000   0.0000 16661.40  3079.35  ?   ?   197.321   19.474 0.000000 19.47373 
1 1 1  -28   30    3 o   49.164   20.173  430.770  1288.49   0.0000   0.0000  430.770  1288.49  ?   ?    49.164   20.173 0.000000 20.17318 
1 1 1  -28   30    4 o  316.876   23.359 43873.93  5967.64   0.0000   0.0000 43873.93  5967.64  ?   ?   316.876   23.359 0.000000 23.35863 
1 1 1  -28   30    5 o  336.842   19.604 48684.84  5338.67 59593.01 10405.17 44787.22  6219.75  349.774   37.209  318.576   24.226 31.19809 44.40040 
1 1 1  -28   30    6 o  142.661   17.531  8756.41  1987.98  6689.10  4414.81  9282.21  2226.49  114.795   39.325  146.129   19.232 -31.33401 43.77615 
1 1 1  -28   30    7 o   66.952   20.516  1970.22  1220.69  2581.30  4130.35  1911.74  1277.77   87.312   36.006   66.294   21.092 21.01790 41.72924 
1 1 1  -28   30    8 o  162.280   17.333 11381.75  2248.53 10874.56  5115.13 11503.23  2503.37  139.278   41.853  161.931   19.427 -22.65329 46.14168 
1 1 1  -28   30    9 o  115.023   19.787  5921.49  1781.40  1700.78  4447.11  6728.19  1944.20   82.478   35.798  122.507   20.253 -40.02888 41.12963 
1 1 1  -28   30   10 o  203.855   19.082 18387.11  3121.81 17466.99  6053.73 18720.43  3643.65  170.966   43.502  202.519   22.541 -31.55269 48.99512 
1 1 1  -28   30   11 o  195.304   19.254 17082.15  3013.55 15832.58  6119.90 17482.12  3462.43  154.796   45.605  194.581   22.319 -39.78477 50.77310 
1 1 1  -28   30   12 o  220.397   20.485 22295.76  3623.92 17309.57  7042.50 24091.58  4226.42  147.585   49.673  225.241   23.453 -77.65598 54.93104 
1 1 1  -28   30   13 o  103.093   9.5714  4486.00  792.062 -3808.1899  4526.52  4747.98  804.473   59.769   29.096  106.139   9.4330 -46.36987 30.58685 
1 1 1  -28   30   14 o   90.451   9.7219  3485.11  702.803  510.181  4508.04  3559.22  711.502   68.783   32.211   91.411   9.7358 -22.62879 33.64994 
1 1 1  -28   30   15 o   22.413   10.132 -175.5151  393.849 -5074.4199  4220.81 -132.4857  395.575   51.868   25.782   23.025   10.302 28.84258 27.76365 
1 1 1  -28   30   16 o   89.433   23.884  4555.56  1767.06  7652.67  5698.55  4226.07  1858.68   80.387   37.155   84.192   25.213 -3.805328 44.90230 
1 1 1  -28   30   17 o   73.898   24.637  3543.34  1732.47  4563.48  6028.52  3451.51  1808.77   65.080   32.067   72.030   25.144 -6.949539 40.74908 
1 1 1  -28   30   18 o   82.809   24.835  4832.28  1802.38  102.646  6671.95  5204.61  1871.98   53.457   27.246   85.621   25.222 -32.16420 37.12780 
1 1 1  -28   32    1 o   58.578   23.081  1020.44  1614.69   0.0000   0.0000  1020.44  1614.69  ?   ?    58.578   23.081 0.000000 23.08070 
1 1 1  -28   32    2 o   84.641   24.592  3284.25  1790.57   0.0000   0.0000  3284.25  1790.57  ?   ?    84.641   24.592 0.000000 24.59182 
1 1 1  -28   32    3 o   92.170   25.395  3953.36  1961.30   0.0000   0.0000  3953.36  1961.30  ?   ?    92.170   25.395 0.000000 25.39472 
1 1 1  -28   32    4 o  190.598   21.161 16059.92  3219.54   0.0000   0.0000 16059.92  3219.54  ?   ?   190.598   21.161 0.000000 21.16069 
1 1 1  -28   32    5 o   37.942   16.953 -341.1538  1067.52 -8409.3076  4759.87   86.159  1095.42   56.575   27.991   42.210   18.035 14.36476 33.29790 
1 1 1  -28   32    6 o  113.372   22.310  5887.42  1980.56 11675.55  5631.38  5070.41  2115.73  139.526   44.268  103.416   25.384 36.11024 51.02968 
1 1 1  -28   32    7 o  237.061   19.958 24921.49  3805.80 24928.77  8012.06 24919.37  4324.87  196.695   50.045  233.802   23.083 -37.10696 55.11182 
1 1 1  -28   32    8 o  131.257   20.643  7830.78  2127.46 -1482.4250  5833.33  9259.59  2284.83   76.957   36.229  143.210   20.211 -66.25351 41.48503 
1 1 1  -28   32    9 o  246.894   20.300 27573.25  4033.52 35002.21  8560.22 25453.12  4573.00  234.033   46.684  231.664   24.692 2.369003 52.81172 
1 1 1  -28   32   10 o  100.841   22.981  4916.20  1839.74 -795.8675  5439.11  5654.14  1954.97   73.834   34.827  108.394   22.928 -34.55960 41.69703 
1 1 1  -28   32   11 o  124.466   22.644  7503.42  2204.12  8806.23  5988.45  7299.28  2370.53  105.484   43.410  120.573   25.033 -15.08835 50.11084 
1 1 1  -28   32   12 o   54.828   21.867  1117.32  1465.81  899.471  5348.12  1135.02  1524.17   73.450   34.612   55.448   22.235 18.00218 41.13845 
1 1 1  -28   32   13 o   38.119   11.525  635.806  387.022 -652.5696  5490.24  642.240  387.987   67.111   32.525   38.288   11.531 28.82299 34.50848 
1 1 1  -28   32   14 o  142.446   22.546 10643.54  2520.90  9325.85  6376.15 10887.67  2744.51   86.705   39.794  140.690   24.938 -53.98476 46.96266 
1 1 1  -28   32   15 o   91.929   25.497  5189.81  1969.77  5079.56  6617.54  5200.53  2063.29   69.368   34.064   90.482   26.430 -21.11395 43.11481 
1 1 1  -28   32   16 o   26.775   13.357 -2390.5171  1176.14 -5412.8672  5907.52 -2265.7739  1200.17   50.690   25.817   27.549   13.703 23.14068 29.22846 
1 1 1  -28   34    1 o  176.682   23.678 14330.67  3311.41   0.0000   0.0000 14330.67  3311.41  ?   ?   176.682   23.678 0.000000 23.67806 
1 1 1  -28   34    2 o  215.072   24.176 21314.89  4148.65   0.0000   0.0000 21314.89  4148.65  ?   ?   215.072   24.176 0.000000 24.17550 
1 1 1  -28   34    3 o  206.561   23.409 19602.08  3856.82   0.0000   0.0000 19602.08  3856.82  ?   ?   206.561   23.409 0.000000 23.40878 
1 1 1  -28   34    4 f   85.996   26.350  3587.54  2013.72   0.0000   0.0000  3587.54  2013.72  ?   ?    85.996   26.350 0.000000 26.35038 
1 1 1  -28   34    5 o   46.904   20.726 -148.4568  1551.50   0.0000   0.0000 -148.4568  1551.50  ?   ?    46.904   20.726 0.000000 20.72649 
1 1 1  -28   34    6 o   98.980   26.799  4910.85  2206.71 -13355.8096  7407.74  6689.67  2311.66   64.036   32.171  117.387   25.018 -53.35019 40.75407 
1 1 1  -28   34    7 o  139.327   23.882  9319.17  2604.47  2321.58  7770.43 10204.80  2764.37   89.162   41.925  145.582   24.238 -56.41985 48.42685 
1 1 1  -28   34    8 o   75.775   24.879  2841.14  1769.25 -3837.6499  6164.59  3440.65  1846.95   69.424   33.831   82.561   25.225 -13.13680 42.20014 
1 1 1  -28   34    9 o  106.277   25.709  5828.42  2194.36 13659.74  8234.92  5229.85  2276.68  112.866   48.850   98.933   27.401 13.93365 56.01007 
1 1 1  -28   34   10 o  122.672   25.042  7781.41  2409.98  7542.21  8583.63  7801.88  2510.98   90.723   43.076  121.544   26.214 -30.82112 50.42544 
1 1 1  -28   34   11 o  146.912   25.619 11515.68  2944.94 11835.70  8405.96 11470.90  3144.21   94.234   44.083  143.277   28.031 -49.04332 52.24042 
1 1 1  -28   34   12 o  142.649   25.947 11361.72  2894.59 11348.85  8675.78 11363.33  3070.53   85.228   41.203  139.319   28.113 -54.09077 49.87999 
1 1 1  -28   34   13 o   70.388   25.575  3084.90  1889.40 -6881.4971  7888.77  3691.39  1946.04   58.516   29.806   76.269   26.109 -17.75319 39.62467 
1 1 1  -28   34   14 o   27.970   13.701 -1538.7800  1049.94 -5119.2300  7753.17 -1471.8920  1059.71   55.680   28.462   28.427   13.890 27.25316 31.67057 
1 1 1  -28   34   15 o   99.209   27.269  7232.86  2264.61  5791.09  9424.91  7321.20  2332.96   57.990   29.767   98.271   27.924 -40.28104 40.81392 
1 1 1  -28   36    1 o   66.548   27.821  1406.60  2514.17   0.0000   0.0000  1406.60  2514.17  ?   ?    66.548   27.821 0.000000 27.82055 
1 1 1  -28   36    2 o   80.801   30.305  3260.21  2689.34   0.0000   0.0000  3260.21  2689.34  ?   ?    80.801   30.305 0.000000 30.30497 
1 1 1  -28   36    3 o   83.654   30.436  3652.42  2677.19   0.0000   0.0000  3652.42  2677.19  ?   ?    83.654   30.436 0.000000 30.43568 
1 1 1  -28   36    4 o  151.896   28.354 11921.91  3368.43   0.0000   0.0000 11921.91  3368.43  ?   ?   151.896   28.354 0.000000 28.35411 
1 1 1  -28   36    5 o   75.965   27.806  2921.56  2239.33   0.0000   0.0000  2921.56  2239.33  ?   ?    75.965   27.806 0.000000 27.80559 
1 1 1  -28   36    6 o  103.275   30.237  6056.50  2697.73   0.0000   0.0000  6056.50  2697.73  ?   ?   103.275   30.237 0.000000 30.23686 
1 1 1  -28   36    7 o  130.277   28.766  9345.44  2961.59 19164.84 10403.94  8479.60  3089.40  110.760   50.834  120.404   31.308 -9.643890 59.70143 
1 1 1  -28   36    8 o   64.505   26.473  1881.97  2219.38  5294.78  8466.89  1630.18  2299.80   83.013   40.269   63.021   26.493 19.99219 48.20219 
1 1 1  -28   36    9 o  100.344   29.115  6137.17  2511.33 19408.86  9221.88  5074.11  2609.97  103.596   47.661   88.877   30.238 14.71914 56.44406 
1 1 1  -28   36   10 f   42.213   19.537 -457.7351  1583.30 -12476.6104  9197.40 -90.6867  1607.29   59.667   30.539   44.615   20.287 15.05208 36.66320 
1 1 1  -28   36   11 o   58.528   24.755  1777.63  2027.83 -3457.3120  9839.20  2009.86  2072.32   62.864   32.128   60.279   25.234 2.584324 40.85311 
1 1 1  -28   36   12 o   58.275   25.081  2050.71  2146.51 15418.67 10283.53  1441.74  2194.86   70.585   35.754   54.611   24.362 15.97475 43.26471 
1 1 1  -28   36   13 o   57.962   24.893  2432.98  2105.95  2460.74 10818.34  2431.89  2147.02   57.103   29.423   57.864   24.994 -0.7612000 38.60528 
1 1 1  -28   38    1 o   69.080   29.417  2087.79  2896.38   0.0000   0.0000  2087.79  2896.38  ?   ?    69.080   29.417 0.000000 29.41681 
1 1 1  -28   38    2 o   77.550   31.330  3455.26  3050.79   0.0000   0.0000  3455.26  3050.79  ?   ?    77.550   31.330 0.000000 31.33036 
1 1 1  -28   38    3 o   89.695   32.875  5268.14  3131.85   0.0000   0.0000  5268.14  3131.85  ?   ?    89.695   32.875 0.000000 32.87526 
1 1 1  -28   38    4 o   75.670   30.083  3377.64  2765.96   0.0000   0.0000  3377.64  2765.96  ?   ?    75.670   30.083 0.000000 30.08322 
1 1 1  -28   38    5 o   64.482   27.391  1920.89  2499.94   0.0000   0.0000  1920.89  2499.94  ?   ?    64.482   27.391 0.000000 27.39112 
1 1 1  -28   38    6 o   76.098   29.966  3773.55  2720.30   0.0000   0.0000  3773.55  2720.30  ?   ?    76.098   29.966 0.000000 29.96622 
1 1 1  -28   38    7 o  146.736   32.984 14502.83  3834.29 27831.57 13964.71 13416.07  3987.55   86.559   43.577  134.191   35.896 -47.63209 56.45753 
1 1 1  -28   38    8 o  101.874   33.067  8082.96  3128.58 14432.57 12721.57  7674.21  3227.71   74.222   37.811   96.806   33.600 -22.58369 50.58306 
1 1 1  -28   38    9 o   59.430   25.814  2074.86  2316.04  1785.37 12229.41  2085.62  2358.72   63.723   32.753   59.522   25.950 4.200985 41.78775 
1 1 1  -28   38   10 o   78.967   30.197  5585.42  2701.16 -21161.5703 14742.99  6514.46  2747.68   54.885   28.489   85.872   30.893 -30.98697 42.02377 
1 1 1  -28   40    1 o   70.591   31.523  3675.71  3684.91   0.0000   0.0000  3675.71  3684.91  ?   ?    70.591   31.523 0.000000 31.52282 
1 1 1  -28   40    2 o   75.162   32.245  4685.07  3526.96   0.0000   0.0000  4685.07  3526.96  ?   ?    75.162   32.245 0.000000 32.24504 
1 1 1  -28   40    3 o   91.161   36.223  8376.90  4008.41   0.0000   0.0000  8376.90  4008.41  ?   ?    91.161   36.223 0.000000 36.22334 
1 1 1  -28   40    4 o   55.448   26.366  418.684  3238.44   0.0000   0.0000  418.684  3238.44  ?   ?    55.448   26.366 0.000000 26.36563 
1 1 1  -28   40    5 o   67.040   30.501  3862.18  3639.78   0.0000   0.0000  3862.18  3639.78  ?   ?    67.040   30.501 0.000000 30.50062 
1 1 1  -28   40    6 o   68.537   31.057  4826.17  3726.59   0.0000   0.0000  4826.17  3726.59  ?   ?    68.537   31.057 0.000000 31.05701 
1 1 1  -27    1    2 o  412.430   28.731 69826.89  9561.47 69826.89  9561.47   0.0000   0.0000  412.430   28.731  ?   ?  0.000000 28.73145 
1 1 1  -27    1    3 f  699.115   48.352 202796.70 27278.69 202796.70 27278.69   0.0000   0.0000  699.115   48.352  ?   ?  0.000000 48.35178 
1 1 1  -27    1    4 o  609.051   29.300 151525.30 14489.50 150734.80 20521.79 152311.09 20460.84  604.085   42.102  607.337   41.745 -3.251587 59.28905 
1 1 1  -27    1    5 o  452.542   17.978 83327.05  6606.11 81423.76 11483.56 84268.47  8076.27  445.157   31.984  454.850   21.868 -9.693146 38.74479 
1 1 1  -27    1    6 o  1008.33   48.550 419124.91 39749.25 394827.69 56221.86 443408.50 56206.01  967.481   72.086  1027.76   67.732 -60.28247 98.91413 
1 1 1  -27    1    7 o  1107.35   37.287 502382.69 33525.98 482987.91 47409.71 521782.81 47416.07  1079.02   54.286  1123.73   51.967 -44.71606 75.14997 
1 1 1  -27    1    8 o  378.739   15.013 58331.94  4616.88 54115.99  7957.25 60471.47  5668.60  363.112   27.186  385.477   18.111 -22.36548 32.66634 
1 1 1  -27    1    9 o  547.470   18.186 122060.90  8084.11 128723.50 11429.49 115390.90 11435.82  561.430   25.072  531.377   26.505 30.05310 36.48462 
1 1 1  -27    1   10 o  948.050   31.591 369987.19 24318.41 377490.91 34386.87 362479.59 34396.00  951.185   44.524  931.539   45.475 19.64630 63.64182 
1 1 1  -27    1   11 f  749.149   25.478 230812.09 15497.75 241330.09 21911.54 220283.50 21922.73  761.471   35.439  725.663   37.333 35.80872 51.47514 
1 1 1  -27    1   12 o  219.915   9.6003 19679.90  1714.27 19637.67  2087.15 19767.46  3005.20  219.240   11.768  219.218   17.017 0.2221680E-01 20.68921 
1 1 1  -27    1   13 o  278.490   10.349 31584.61  2340.20 32128.69  3301.65 31035.28  3317.49  280.081   14.568  275.205   14.902 4.875702 20.83983 
1 1 1  -27    1   14 o  399.591   14.263 65275.39  4627.70 65975.03  6538.25 64573.05  6550.88  399.850   20.204  395.484   20.470 4.366028 28.76158 
1 1 1  -27    1   15 o  505.784   17.380 105141.10  7137.42 101335.30 10085.88 108958.90 10101.82  492.597   25.302  511.909   24.303 -19.31155 35.08337 
1 1 1  -27    1   16 o  212.578   8.4803 18411.31  1463.75 18153.29  2063.00 18672.90  2077.19  210.352   12.130  213.368   12.039 -3.015503 17.09007 
1 1 1  -27    1   17 o  375.696   13.436 57939.07  4098.69 57628.63  5788.29 58251.25  5804.61  372.097   19.224  374.132   19.172 -2.034790 27.15016 
1 1 1  -27    1   18 o  271.428   10.287 30180.88  2267.25 30706.26  3198.70 29650.41  3214.12  272.204   14.525  267.341   14.865 4.863190 20.78349 
1 1 1  -27    1   19 o  220.391   8.8288 19920.84  1579.91 19612.99  2228.51 20231.95  2240.20  217.166   12.693  220.633   12.557 -3.466507 17.85486 
1 1 1  -27    1   20 o  139.153   7.6315  7969.23  858.981  8845.57  1187.74  7008.28  1243.76  145.910   10.087  129.165   11.996 16.74434 15.67355 
1 1 1  -27    1   21 o   22.295   9.6675 -38.1561  323.738  646.660  536.146 -431.1180  406.136   40.257   13.705   20.267   9.5467 19.98941 16.70209 
1 1 1  -27    1   22 o   33.209   11.872  409.807  405.141  386.599  547.027  438.004  602.960   35.268   13.565   37.117   14.250 -1.848923 19.67383 
1 1 1  -27    1   23 o   23.380   10.395 -116.0118  396.191 -61.1402  532.372 -184.1248  593.139   28.029   12.271   28.172   12.609 -0.1426544 17.59456 
1 1 1  -27    1   24 o   84.975   9.1931  3097.51  624.180  2498.82  860.362  3762.75  906.926   73.088   15.000   91.804   12.491 -18.71642 19.52015 
1 1 1  -27    1   25 o   57.742   11.695  1535.30  529.527  1468.81  706.007  1620.79  800.611   54.409   15.327   56.476   16.454 -2.066387 22.48649 
1 1 1  -27    1   26 o  148.251   10.752 10093.74  1285.43 10019.46  1785.24 10173.71  1852.35  138.118   16.228  137.932   16.893 0.1866760 23.42446 
1 1 1  -27    3    4 f  696.192   32.838 198254.59 18563.06 219858.00 26289.81 176774.70 26214.61  729.542   44.595  652.422   49.863 77.12018 66.89584 
1 1 1  -27    3    5 o  439.529   17.163 78583.86  6125.17 91791.51 10661.39 72076.52  7483.48  473.466   27.855  420.102   22.015 53.36487 35.50461 
1 1 1  -27    3    6 o  1389.26   68.791 807489.62 77597.96 726557.88 109783.90 888292.38 109696.30  1288.57  105.864  1435.70   94.631 -147.1263 141.9934 
1 1 1  -27    3    7 o  382.105   18.882 59416.27  5858.23 58872.00  8303.40 59955.67  8266.30  378.912   27.169  382.453   26.788 -3.541656 38.15443 
1 1 1  -27    3    8 o  1032.78   40.326 438393.19 33816.56 435805.50 58509.37 439691.19 41438.86  1014.31   71.500  1031.12   49.495 -16.81104 86.95982 
1 1 1  -27    3    9 o  399.145   14.066 64808.47  4558.58 66430.66  6435.71 63175.03  6457.97  403.729   19.632  393.142   20.300 10.58731 28.24013 
1 1 1  -27    3   10 o  505.505   17.226 104201.90  7070.47 108762.70  9989.24 99622.88 10009.10  515.407   23.870  492.433   25.116 22.97440 34.64944 
1 1 1  -27    3   11 o  505.100   19.908 104437.30  8164.83 118855.70 14168.96 97269.30  9990.31  534.133   32.829  485.561   25.428 48.57272 41.52498 
1 1 1  -27    3   12 o  420.277   16.559 72211.73  5650.73 69784.28  6907.99 77120.65  9823.58  411.842   20.724  430.613   28.253 -18.77136 35.03849 
1 1 1  -27    3   13 o  539.144   18.784 119239.60  8223.21 118024.70 11616.48 120460.00 11642.32  532.861   26.936  539.111   26.596 -6.249390 37.85392 
1 1 1  -27    3   14 o  239.451   8.9937 23343.30  1748.60 23841.45  2457.20 22832.22  2488.90  241.345   12.583  236.097   13.034 5.248047 18.11618 
1 1 1  -27    3   15 o   33.009   9.6607  451.626  275.434  474.662  352.386  415.454  441.577   34.555   11.085   34.635   12.393 -0.7975388E-01 16.62716 
1 1 1  -27    3   16 o  132.084   6.7002  7116.95  716.223  7068.96  994.119  7168.75  1032.77  131.333   9.3841  132.221   9.6872 -0.8878632 13.48717 
1 1 1  -27    3   17 o  410.159   14.517 69204.84  4834.72 68987.99  6823.42 69423.48  6851.31  406.264   20.754  407.537   20.774 -1.272430 29.36461 
1 1 1  -27    3   18 o   91.662   6.7264  3442.96  497.129  4029.99  667.872  2713.60  744.437   98.975   8.3895   80.453   11.742 18.52238 14.43103 
1 1 1  -27    3   19 o   93.090   7.6308  3569.03  571.708  3186.27  760.054  4067.78  867.615   87.231   10.974   98.710   11.013 -11.47896 15.54683 
1 1 1  -27    3   20 o  269.744   10.201 30121.93  2234.27 29891.29  3144.11 30357.20  3175.59  265.658   14.632  267.702   14.665 -2.043488 20.71657 
1 1 1  -27    3   21 o   34.889   11.564  489.636  381.914  259.774  534.015  730.296  546.415   33.079   13.197   42.064   13.827 -8.984909 19.11419 
1 1 1  -27    3   22 o   25.669   10.669   81.755  366.732  347.134  454.008 -416.5130  622.103   32.781   12.417   26.826   12.356 5.954472 17.51704 
1 1 1  -27    3   23 o   20.876   9.3583 -128.7126  328.147   88.327  389.920 -655.5942  607.523   26.303   10.973   24.253   11.500 2.049522 15.89461 
1 1 1  -27    3   24 o  134.532   8.5445  7674.40  928.519  7724.05  1287.77  7620.65  1340.04  132.179   12.134  130.704   12.791 1.474182 17.63064 
1 1 1  -27    3   25 o   55.036   11.865  1405.24  514.612  819.055  642.251  2456.54  860.106   42.179   14.961   70.540   15.445 -28.36086 21.50294 
1 1 1  -27    3   26 f   42.562   12.739  898.554  474.605  561.911  584.597  1549.43  812.866   36.017   13.975   52.530   16.835 -16.51357 21.87974 
1 1 1  -27    5    1 o  335.658   25.074 46189.77  6784.37   0.0000   0.0000 46189.77  6784.37  ?   ?   335.658   25.074 0.000000 25.07385 
1 1 1  -27    5    2 o  319.566   15.899 41531.66  4125.31 42699.89  5862.72 40385.98  5805.84  322.974   22.496  314.006   22.930 8.968109 32.12269 
1 1 1  -27    5    3 o  558.486   26.940 127250.60 12216.63 130587.80 17283.03 123918.00 17270.82  563.157   38.019  548.311   39.048 14.84607 54.49931 
1 1 1  -27    5    4 o  785.577   37.693 252892.30 24043.15 253357.70 34007.90 252427.20 33996.40  780.755   53.976  779.285   54.062 1.469971 76.39451 
1 1 1  -27    5    5 o  690.064   33.199 194686.41 18601.70 184150.20 26314.16 205210.70 26299.39  666.693   48.952  704.716   46.217 -38.02338 67.32285 
1 1 1  -27    5    6 o  1096.15   52.885 496585.91 47069.47 463870.50 66574.63 529285.00 66557.95  1045.51   79.006  1120.30   73.578 -74.78552 107.9614 
1 1 1  -27    5    7 o  485.526   18.990 95944.52  7486.57 105469.70 13003.13 91221.33  9156.49  506.946   31.750  472.476   23.946 34.47089 39.76772 
1 1 1  -27    5    8 o  599.248   29.200 146824.70 14207.67   0.0000   0.0000 146824.70 14207.67  ?   ?   599.248   29.200 0.000000 29.19967 
1 1 1  -27    5    9 o  591.000   23.241 142688.09 11152.58 156262.00 19346.09 135931.80 13648.76  613.845   39.017  575.056   29.329 38.78833 48.81099 
1 1 1  -27    5   10 o  935.917   32.433 361880.41 24646.84 376560.50 34841.76 347176.41 34870.04  946.941   45.315  906.647   47.533 40.29388 65.67162 
1 1 1  -27    5   11 o  590.296   23.320 143197.30 11177.45 161358.20 19391.06 134160.50 13678.55  618.951   38.780  568.491   29.737 50.46033 48.86850 
1 1 1  -27    5   12 o  109.922   6.7134  4929.59  596.317  4192.40  721.769  6514.89  1058.44  101.128   8.8799  126.068   10.434 -24.94052 13.70096 
1 1 1  -27    5   13 o  302.261   10.859 37225.15  2665.01 38045.91  3752.64 36390.00  3785.38  305.057   15.150  297.863   15.707 7.194427 21.82284 
1 1 1  -27    5   14 o  102.909   6.2517  4321.36  519.914  5237.59  708.232  3250.53  765.660  113.196   7.7523   88.635   10.866 24.56040 13.34822 
1 1 1  -27    5   15 o  446.284   14.519 81595.05  5261.13 70390.40  7422.31 92909.41  7458.55  411.434   22.301  474.562   19.356 -63.12762 29.52973 
1 1 1  -27    5   16 o  144.717   6.9790  8524.11  820.068  9050.59  1142.15  7963.88  1178.19  148.659   9.5121  139.271   10.496 9.388245 14.16493 
1 1 1  -27    5   17 o  175.799   7.8000 12597.61  1113.39 13109.24  1542.21 12040.67  1609.07  178.708   10.677  171.061   11.654 7.647827 15.80565 
1 1 1  -27    5   18 o  206.271   8.2367 17385.43  1379.52 15678.84  1916.99 19218.49  1986.76  194.779   12.182  215.956   11.370 -21.17740 16.66410 
1 1 1  -27    5   19 o   89.558   7.6546  3307.02  551.278  3178.26  725.135  3483.35  848.590   87.204   10.449   91.020   11.757 -3.816040 15.72932 
1 1 1  -27    5   20 o   98.159   7.6254  3979.47  602.985  3638.91  800.938  4425.02  916.121   93.030   10.804  102.584   11.180 -9.554443 15.54731 
1 1 1  -27    5   21 o  187.892   8.6015 14604.30  1312.26 14926.97  1820.23 14255.11  1893.58  187.978   11.988  183.179   12.812 4.799606 17.54591 
1 1 1  -27    5   22 o  148.669   8.4391  9211.56  1014.52  8784.54  1366.05  9736.75  1514.97  143.395   11.838  150.587   12.503 -7.192169 17.21860 
1 1 1  -27    5   23 o  119.773   8.3482  6025.75  806.804  6138.60  1067.31  5875.28  1232.39  119.369   11.141  115.306   13.414 4.062912 17.43690 
1 1 1  -27    5   24 o   29.329   11.389  268.103  388.509   84.455  444.134  866.594  801.770   27.408   11.589   44.977   16.610 -17.56864 20.25303 
1 1 1  -27    5   25 o   52.147   12.511  1286.37  522.948  1205.08  638.914  1451.36  910.245   49.392   14.780   52.594   17.857 -3.202129 23.18046 
1 1 1  -27    5   26 o   44.112   17.254  1043.25  896.617   0.0000   0.0000  1043.25  896.617  ?   ?    44.112   17.254 0.000000 17.25418 
1 1 1  -27    7    1 o  1100.15   77.494 512058.31 68781.93   0.0000   0.0000 512058.31 68781.93  ?   ?   1100.15   77.494 0.000000 77.49429 
1 1 1  -27    7    3 o  847.936   40.760 294955.19 28062.81 288243.41 39703.97 301655.41 39669.68  831.517   59.193  851.260   57.734 -19.74280 82.68636 
1 1 1  -27    7    4 o  648.665   31.254 171863.59 16461.55 159370.09 23285.00 184346.70 23275.29  620.692   46.541  668.652   43.100 -47.95935 63.43232 
1 1 1  -27    7    5 o  662.115   31.870 179123.41 17133.65 163783.80 24232.63 194457.91 24228.64  628.895   47.813  686.620   43.686 -57.72437 64.76530 
1 1 1  -27    7    6 o  844.245   40.573 292568.31 27812.52 274211.09 39335.55 310920.59 39330.13  809.942   60.244  864.223   56.357 -54.28046 82.49462 
1 1 1  -27    7    7 o  207.997   9.5526 17576.30  1613.31 13090.01  2832.15 19731.37  1962.92  178.190   19.915  220.355   10.971 -42.16446 22.73711 
1 1 1  -27    7    8 f  543.028   26.301 120541.60 11596.57   0.0000   0.0000 120541.60 11596.57  ?   ?   543.028   26.301 0.000000 26.30083 
1 1 1  -27    7    9 o  460.205   18.451 86398.20  6894.62 88883.66 11984.77 85168.76  8429.10  463.481   32.043  456.349   22.748 7.132141 39.29676 
1 1 1  -27    7   10 o  750.831   29.800 232844.59 18167.52 248074.80 31505.41 225257.30 22237.06  760.911   51.293  734.014   37.435 26.89630 63.50058 
1 1 1  -27    7   11 o  323.053   13.419 42554.89  3519.82 47449.11  6141.08 40160.49  4295.38  339.091   22.431  312.977   16.966 26.11447 28.12465 
1 1 1  -27    7   12 f  680.258   27.749 191880.80 15326.98 194466.70 18763.69 186695.70 26569.64  681.316   33.918  653.923   50.430 27.39276 60.77497 
1 1 1  -27    7   13 o  119.756   6.2664  5845.68  607.217  6139.16  832.455  5511.99  887.673  122.543   8.4173  115.965   9.5110 6.578285 12.70086 
1 1 1  -27    7   14 o  154.961   7.1146  9767.69  895.188  9937.01  1246.83  9587.54  1286.05  155.847   9.9045  153.008   10.414 2.839355 14.37152 
1 1 1  -27    7   15 o  301.970   10.864 37218.68  2663.73 37484.63  3740.92 36945.17  3793.79  301.877   15.312  299.605   15.649 2.272400 21.89434 
1 1 1  -27    7   16 f  397.179   14.081 64743.05  4540.92 63792.31  6401.48 65705.99  6442.38  391.537   20.205  397.465   20.027 -5.928650 28.44808 
1 1 1  -27    7   17 o   73.511   6.9687  2221.11  410.980  2346.60  522.286  2017.06  665.989   75.329   8.6990   69.104   12.321 6.224823 15.08257 
1 1 1  -27    7   18 o  243.589   9.4269 24317.82  1864.51 22711.13  2598.00 26024.23  2677.41  233.791   13.746  250.531   13.208 -16.73972 19.06375 
1 1 1  -27    7   19 o  103.750   7.5423  4431.62  631.032  4342.64  822.777  4558.73  983.370  102.150   10.050  104.205   11.832 -2.054741 15.52410 
1 1 1  -27    7   20 o  146.969   7.7608  8903.43  922.848  9252.97  1278.96  8523.78  1332.92  148.859   10.652  142.466   11.624 6.393341 15.76638 
1 1 1  -27    7   21 o   54.176   10.428  1264.65  442.053  1167.27  515.723  1534.34  858.253   51.564   12.457   58.451   17.038 -6.886696 21.10630 
1 1 1  -27    7   22 o   26.115   10.565  138.028  347.465 -200.5593  397.947  1224.35  712.803   22.416   10.154   52.180   15.611 -29.76419 18.62255 
1 1 1  -27    7   23 o   47.461   10.863  998.415  409.587  1101.53  474.017  694.574  813.704   49.583   11.921   43.295   16.570 6.288101 20.41231 
1 1 1  -27    7   24 o  100.565   9.0972  4344.85  734.793  3866.28  861.542  5621.92  1407.36   93.233   11.634  108.267   16.534 -15.03371 20.21652 
1 1 1  -27    7   25 o   41.708   11.940  819.291  424.916  743.476  478.934  1099.66  921.003   39.822   12.938   46.984   17.712 -7.162045 21.93442 
1 1 1  -27    7   26 o   38.153   16.344  569.618  903.872   0.0000   0.0000  569.618  903.872  ?   ?    38.153   16.344 0.000000 16.34446 
1 1 1  -27    9    1 o  769.898   29.831 241903.80 18648.00 250833.09 32392.59 237477.59 22806.27  778.339   51.547  761.775   36.871 16.56433 63.37661 
1 1 1  -27    9    2 o  635.142   31.234 164732.09 16107.72 155885.00 22892.04 173407.70 22669.11  614.059   46.253  648.526   43.298 -34.46637 63.35667 
1 1 1  -27    9    3 o  318.315   16.606 41316.92  4277.23 37469.38  6121.54 44987.14  5978.81  302.179   25.178  331.634   22.333 -29.45483 33.65609 
1 1 1  -27    9    4 o  573.018   27.716 133952.59 12895.25 134541.59 18286.36 133370.00 18187.33  571.502   39.652  569.003   39.613 2.498840 56.04861 
1 1 1  -27    9    5 o  791.613   38.649 256991.80 24841.90 225434.09 35167.96 288419.91 35095.66  734.155   59.508  833.673   52.108 -99.51819 79.09744 
1 1 1  -27    9    6 o  1145.01   55.712 545034.38 51796.13 522556.00 73283.25 567473.00 73218.37  1103.33   82.396  1152.69   78.699 -49.35706 113.9413 
1 1 1  -27    9    7 o  979.019   38.062 394569.59 30256.94 379041.09 52487.48 402297.91 37028.51  942.610   69.059  985.313   46.283 -42.70270 83.13395 
1 1 1  -27    9    8 o  300.427   15.480 36854.58  3763.22   0.0000   0.0000 36854.58  3763.22  ?   ?   300.427   15.480 0.000000 15.47966 
1 1 1  -27    9    9 o  401.460   16.183 65737.90  5275.27 68307.89  9209.33 64482.81  6435.74  406.411   28.080  396.621   20.049 9.790649 34.50289 
1 1 1  -27    9   10 o  138.752   7.6731  7850.35  861.106  5475.81  1564.03  8883.23  1031.52  114.478   17.372  147.544   8.6481 -33.06672 19.40534 
1 1 1  -27    9   11 o  370.988   15.237 56212.31  4589.72 53444.19  8013.56 57563.64  5599.04  358.254   27.765  374.909   18.393 -16.65518 33.30477 
1 1 1  -27    9   12 o  215.974   9.6616 18989.56  1694.29 23390.02  3008.27 16945.25  2050.42  238.666   15.609  203.454   12.472 35.21236 19.98018 
1 1 1  -27    9   13 o  220.174   9.9808 19748.62  1784.31 21681.24  3170.11 18852.44  2158.72  229.307   17.150  214.561   12.444 14.74547 21.18970 
1 1 1  -27    9   14 o  440.152   17.977 79693.38  6424.67 75560.24 11202.90 81718.81  7842.45  420.985   33.039  444.372   21.735 -23.38684 39.54745 
1 1 1  -27    9   15 o  405.900   14.505 67574.80  4780.61 69512.20  6746.94 65621.38  6774.75  409.693   20.282  397.230   21.080 12.46298 29.25277 
1 1 1  -27    9   16 o  160.599   7.5705 10507.16  987.200 10179.08  1366.07 10865.78  1428.22  157.439   10.750  162.664   10.876 -5.225357 15.29260 
1 1 1  -27    9   17 o   87.501   6.6059  3137.06  465.879  3115.76  613.456  3166.08  716.092   86.890   8.8172   87.343   10.295 -0.4527130 13.55471 
1 1 1  -27    9   18 o  255.869   9.7312 26888.75  2021.72 26229.08  2840.35 27566.17  2878.31  250.809   14.003  257.222   13.832 -6.412552 19.68296 
1 1 1  -27    9   19 o  132.456   7.3999  7212.20  792.675  7020.38  1083.91  7432.73  1162.20  129.906   10.362  133.550   10.810 -3.643814 14.97465 
1 1 1  -27    9   20 o  159.771   7.9597 10511.65  1032.60 10321.80  1405.96 10734.00  1521.52  156.920   11.106  159.709   11.817 -2.788940 16.21698 
1 1 1  -27    9   21 o  142.939   8.1077  8478.37  937.122  8705.09  1256.44  8194.11  1406.87  143.632   10.853  138.394   12.660 5.238770 16.67558 
1 1 1  -27    9   22 o  161.769   8.3730 10928.83  1096.03  9434.80  1472.36 12785.68  1641.43  147.846   12.379  172.711   11.775 -24.86446 17.08471 
1 1 1  -27    9   23 o   69.200   8.9035  2048.53  488.672  2005.44  570.425  2167.38  947.319   67.706   10.734   67.083   17.285 0.6228333 20.34651 
1 1 1  -27    9   24 o   59.175   10.122  1552.56  468.845  1688.65  526.411  1030.41  1031.10   61.344   10.971   48.071   18.586 13.27349 21.58259 
1 1 1  -27    9   25 o   46.167   11.351  1004.47  422.531  875.134  466.345  1597.39  998.480   42.628   12.598   53.305   18.677 -10.67711 22.52872 
1 1 1  -27   11    1 o  1135.92   55.067 533816.12 50789.61 518879.69 71841.89 548740.50 71812.83  1105.64   80.580  1138.60   78.150 -32.96399 112.2523 
1 1 1  -27   11    2 o  826.477   33.398 279309.19 22412.60 276439.41 38873.86 280738.00 27430.66  814.005   59.221  827.125   40.844 -13.11963 71.94030 
1 1 1  -27   11    3 o  1124.42   54.665 523692.59 49909.04 514059.41 70696.79 533263.62 70467.84  1099.29   79.747  1120.87   77.912 -21.58655 111.4893 
1 1 1  -27   11    4 o  165.285   10.579 11145.67  1412.26  8662.66  2080.40 13267.87  1923.31  144.780   18.092  180.177   13.239 -35.39699 22.41860 
1 1 1  -27   11    5 o  542.865   26.836 120373.40 11829.12 112337.80 16804.98 128265.10 16653.85  521.035   40.028  557.680   36.988 -36.64557 54.50116 
1 1 1  -27   11    6 o  1076.54   53.338 484520.31 46623.68 447036.50 66001.99 521854.09 65869.89  1012.61   80.951  1100.46   74.150 -87.85132 109.7788 
1 1 1  -27   11    7 f  624.183   30.387 160163.50 15400.58 159829.41 21835.72 160494.30 21724.12  617.985   43.800  619.415   43.469 -1.430420 61.70910 
1 1 1  -27   11    8 o  315.356   13.461 40503.66  3446.91 39909.27  6093.07 40783.42  4180.08  310.996   24.323  315.786   16.359 -4.790649 29.31225 
1 1 1  -27   11    9 o  613.935   24.276 154995.09 12101.52 171315.20 21081.37 146974.30 14779.07  636.820   40.988  594.832   30.704 41.98877 51.21294 
1 1 1  -27   11   10 o  399.367   16.701 65201.51  5415.79 66721.12  9501.30 64470.16  6591.43  400.084   29.455  395.899   20.576 4.185364 35.92992 
1 1 1  -27   11   11 o  597.547   30.882 149220.91 14932.29 132400.91 21235.97 165670.59 21000.88  551.853   47.867  622.464   41.794 -70.61121 63.54478 
1 1 1  -27   11   12 o  220.885   9.6264 19867.63  1726.51 25663.19  3122.84 17316.34  2071.96  249.985   15.461  205.635   12.468 44.35019 19.86187 
1 1 1  -27   11   13 o  211.443   9.9994 18219.56  1716.75 17189.83  3095.19 18677.10  2063.19  203.546   18.945  213.581   11.945 -10.03529 22.39656 
1 1 1  -27   11   14 o  484.272   19.789 96878.66  7781.27 93215.26 13601.62 98660.92  9487.10  464.466   36.356  486.735   24.005 -22.26898 43.56619 
1 1 1  -27   11   15 o  128.333   8.4198  6740.16  872.496  6406.85  1688.79  6861.52  1019.03  123.494   17.318  129.311   9.7777 -5.816208 19.88761 
1 1 1  -27   11   16 o   59.993   10.621  1515.46  498.434  1367.05  1120.10  1552.10  556.577   58.937   19.810   60.537   11.747 -1.600105 23.03095 
1 1 1  -27   11   17 o  118.151   9.1509  5747.45  871.043  5579.75  1682.44  5808.86  1018.11  113.910   18.850  118.485   10.698 -4.575890 21.67378 
1 1 1  -27   11   18 o  210.904   11.036 18421.65  1883.24 20192.76  3648.64 17778.45  2198.77  215.383   21.135  206.309   13.195 9.074158 24.91609 
1 1 1  -27   11   19 o  236.137   11.746 23239.54  2252.10 23204.94  4203.65 23253.47  2667.18  226.841   23.147  234.521   14.072 -7.679840 27.08859 
1 1 1  -27   11   20 o   93.058   7.8301  3593.07  586.143  4260.48  737.877  2451.72  964.938  101.029   9.0923   73.973   16.486 27.05608 18.82749 
1 1 1  -27   11   21 o   79.237   14.776  2794.71  915.683  1465.65  2077.77  3115.06  1020.09   63.509   25.786   83.347   15.648 -19.83831 30.16282 
1 1 1  -27   11   22 o   79.579   8.7332  2679.37  555.027  3502.20  635.636   38.391  1138.77   91.109   8.6980   40.965   17.941 50.14350 19.93806 
1 1 1  -27   11   23 o   65.672   10.152  1883.48  523.904  1830.50  599.899  2053.76  1075.46   63.873   12.008   63.882   19.189 -0.8232117E-02 22.63668 
1 1 1  -27   11   24 o   14.455   7.0018 -396.5792  253.569 -310.4322  260.140 -2037.4490  1135.34   15.639   7.4467   27.635   13.672 -11.99625 15.56878 
1 1 1  -27   11   25 o   21.502   9.4504 -24.1867  318.456 -52.1758  330.293  345.447  1200.30   21.445   9.5154   39.763   17.857 -18.31743 20.23366 
1 1 1  -27   13    1 f  362.311   19.166 53602.23  5618.18   0.0000   0.0000 53602.23  5618.18  ?   ?   362.311   19.166 0.000000 19.16562 
1 1 1  -27   13    2 o  732.341   37.422 220898.91 22178.08   0.0000   0.0000 220898.91 22178.08  ?   ?   732.341   37.422 0.000000 37.42185 
1 1 1  -27   13    3 o  648.208   45.358 174652.30 23722.58   0.0000   0.0000 174652.30 23722.58  ?   ?   648.208   45.358 0.000000 45.35809 
1 1 1  -27   13    4 o  466.987   23.095 89040.19  8757.27 90038.30 12506.38 88080.02 12266.41  467.055   33.194  461.988   32.915 5.066620 46.74685 
1 1 1  -27   13    5 o  886.842   43.261 326908.59 31151.53 326582.31 44174.51 327231.41 43936.29  873.386   62.709  874.568   62.278 -1.182373 88.37978 
1 1 1  -27   13    6 o  597.156   29.097 146664.00 14108.10 149337.70 20059.22 144046.80 19846.21  597.229   41.625  586.363   41.962 10.86542 59.10548 
1 1 1  -27   13    7 o  392.243   28.142 63703.73  8903.48   0.0000   0.0000 63703.73  8903.48  ?   ?   392.243   28.142 0.000000 28.14247 
1 1 1  -27   13    8 o  116.678   9.2326  5571.87  867.542  4759.82  1345.65  6149.45  1134.88  106.815   16.009  122.352   11.560 -15.53713 19.74632 
1 1 1  -27   13    9 o  382.623   16.095 59814.72  5000.24 62073.01  8840.12 58752.30  6063.41  386.230   28.388  378.090   19.820 8.140137 34.62191 
1 1 1  -27   13   10 o  423.716   17.469 73501.21  6009.97 80986.71 10585.11 69940.13  7300.89  440.355   29.779  411.782   21.915 28.57254 36.97378 
1 1 1  -27   13   11 o   78.657   8.5723  2547.28  538.622  4088.88  1000.07  1917.39  639.260   99.312   12.692   67.559   12.098 31.75309 17.53425 
1 1 1  -27   13   12 o  220.329   10.030 19780.17  1794.32 19953.52  3291.30 19706.86  2140.36  219.560   18.638  219.417   12.060 0.1428375 22.19951 
1 1 1  -27   13   13 o  138.429   8.2196  7829.13  919.737  6587.00  1806.65  8263.66  1068.57  125.233   18.308  142.109   9.3122 -16.87520 20.54004 
1 1 1  -27   13   14 o  158.776   8.7925 10305.17  1129.11 10302.24  2180.53 10306.24  1319.84  157.210   17.372  158.582   10.306 -1.371292 20.19941 
1 1 1  -27   13   15 o  253.002   11.434 26195.08  2348.89 27807.20  4294.79 25507.07  2805.70  257.587   20.709  248.801   13.944 8.785812 24.96646 
1 1 1  -27   13   16 o  297.630   13.300 36491.76  3214.08 33872.77  5786.40 37660.34  3865.18  280.273   25.713  301.046   15.868 -20.77246 30.21556 
1 1 1  -27   13   17 f   90.033   9.9320  3369.18  713.982  4037.39  1507.92  3176.09  810.607   95.807   20.029   86.967   11.783 8.840096 23.23749 
1 1 1  -27   13   18 o  100.861   11.049  4261.75  890.094  3007.47  2199.93  4507.27  973.319   81.838   27.761  103.543   11.787 -21.70483 30.16005 
1 1 1  -27   13   19 o  216.723   11.429 19657.21  2004.08 21289.01  4052.61 19128.99  2305.74  215.616   23.530  212.583   13.427 3.033630 27.09152 
1 1 1  -27   13   20 o   92.521   12.022  3665.63  881.825  6098.16  2500.18  3320.03  942.388  109.342   28.030   87.298   13.750 22.04454 31.22066 
1 1 1  -27   13   21 o  154.146   11.971 10181.24  1486.50  8332.35  3367.23 10628.79  1656.67  118.873   33.467  156.684   13.143 -37.81042 35.95513 
1 1 1  -27   13   22 o   52.103   17.210  1246.18  846.151  689.813  2329.08  1330.78  908.206   57.187   25.326   53.617   17.836 3.570179 30.97660 
1 1 1  -27   13   23 o   84.691   19.908  3708.26  1345.89  2306.48  3342.52  3979.52  1470.36   65.366   29.535   86.638   21.098 -21.27158 36.29678 
1 1 1  -27   13   24 f   58.171   21.404  1999.68  1329.35   0.0000   0.0000  1999.68  1329.35  ?   ?    58.171   21.404 0.000000 21.40370 
1 1 1  -27   13   25 o   79.062   25.366  4987.65  1845.10   0.0000   0.0000  4987.65  1845.10  ?   ?    79.062   25.366 0.000000 25.36630 
1 1 1  -27   15    1 o  548.171   39.667 125121.60 17536.31   0.0000   0.0000 125121.60 17536.31  ?   ?   548.171   39.667 0.000000 39.66685 
1 1 1  -27   15    2 o  1032.68   51.077 448379.81 42827.80 418590.19 60560.43 478183.59 60574.88  974.213   77.191  1047.21   71.670 -73.00177 105.3330 
1 1 1  -27   15    5 o  759.080   54.702 247962.50 33489.63   0.0000   0.0000 247962.50 33489.63  ?   ?   759.080   54.702 0.000000 54.70224 
1 1 1  -27   15    6 o  394.727   28.524 64646.32  9080.69   0.0000   0.0000 64646.32  9080.69  ?   ?   394.727   28.524 0.000000 28.52447 
1 1 1  -27   15    7 o  307.165   22.841 38966.98  5655.95   0.0000   0.0000 38966.98  5655.95  ?   ?   307.165   22.841 0.000000 22.84084 
1 1 1  -27   15    8 o  365.560   26.654 55492.50  7856.96   0.0000   0.0000 55492.50  7856.96  ?   ?   365.560   26.654 0.000000 26.65386 
1 1 1  -27   15    9 o   94.695   9.6129  3687.17  728.883  4497.57  1263.89  3283.35  892.192  103.796   15.469   88.840   12.732 14.95650 20.03507 
1 1 1  -27   15   10 o  410.040   18.889 69018.32  6288.73 80189.29  9138.43 58969.10  8667.47  439.213   25.737  375.333   28.657 63.87930 38.51781 
1 1 1  -27   15   11 o  148.940   7.5373  9047.14  908.555 14528.55  1885.70  7389.96  1036.84  188.255   12.406  134.362   9.5663 53.89334 15.66585 
1 1 1  -27   15   12 o  346.276   14.850 49120.29  4175.23 46773.39  7501.93 50173.48  5025.48  333.055   28.001  348.852   17.801 -15.79684 33.18002 
1 1 1  -27   15   13 o  172.686   8.5086 12148.42  1193.04 16335.36  2373.74 10733.33  1380.00  199.021   14.795  161.828   10.560 37.19370 18.17711 
1 1 1  -27   15   14 o  192.706   10.029 15203.72  1563.81 13094.15  3032.48 15967.95  1825.21  176.019   21.676  197.257   11.445 -21.23775 24.51173 
1 1 1  -27   15   15 o  199.518   9.9339 16280.83  1609.31 15585.99  3130.95 16530.31  1876.11  191.986   20.397  200.454   11.576 -8.468781 23.45317 
1 1 1  -27   15   16 o   27.349   11.523   37.305  436.621  1126.65  1148.46 -146.7446  472.067   55.482   19.971   25.824   11.421 29.65800 23.00647 
1 1 1  -27   15   17 o  176.455   10.173 12877.55  1451.31 14996.52  3073.26 12269.37  1646.47  185.357   20.777  171.648   11.887 13.70862 23.93725 
1 1 1  -27   15   18 o   44.177   14.538  798.291  603.991 -885.5170  1584.44  1084.57  653.322   43.208   19.833   50.174   14.930 -6.965607 24.82489 
1 1 1  -27   15   19 o   85.580   11.618  3121.92  786.450  4340.07  2306.78  2961.71  836.570   93.057   28.138   82.891   12.845 10.16584 30.93121 
1 1 1  -27   15   20 o  141.881   11.477  8554.20  1310.87  4891.10  3080.11  9364.44  1448.61   93.235   32.797  148.092   12.154 -54.85730 34.97623 
1 1 1  -27   15   21 f  184.114   12.128 14614.72  1802.97 12306.89  4003.24 15201.95  2019.37  141.061   35.095  186.587   13.419 -45.52623 37.57245 
1 1 1  -27   15   22 o   85.404   15.845  3413.70  1058.29  2824.36  3100.49  3491.41  1125.91   70.497   30.238   85.723   16.777 -15.22585 34.58005 
1 1 1  -27   15   23 o   91.386   20.178  4444.51  1457.21  3822.58  3040.00  4630.04  1660.41   70.115   30.004   90.240   22.686 -20.12479 37.61495 
1 1 1  -27   15   24 o   62.691   22.768  2657.25  1497.27   0.0000   0.0000  2657.25  1497.27  ?   ?    62.691   22.768 0.000000 22.76840 
1 1 1  -27   17    1 o  282.585   16.222 32687.30  3706.56   0.0000   0.0000 32687.30  3706.56  ?   ?   282.585   16.222 0.000000 16.22208 
1 1 1  -27   17    2 o  401.000   16.710 65637.98  5440.71 64377.20  9544.04 66244.95  6622.09  393.660   30.087  401.819   20.363 -8.158569 36.32999 
1 1 1  -27   17    3 o  344.997   15.339 48552.50  4296.76 38799.81  7502.69 53312.32  5241.44  304.774   30.738  361.205   17.871 -56.43079 35.55554 
1 1 1  -27   17    4 o  363.170   19.475 54130.34  5721.79 51396.13  8290.88 56616.88  7906.46  351.442   29.322  369.770   26.510 -18.32748 39.52896 
1 1 1  -27   17    6 o  114.811   18.009  5520.35  1623.59  5520.35  1623.59   0.0000   0.0000  114.811   18.009  ?   ?  0.000000 18.00868 
1 1 1  -27   17    7 o  164.555   17.930 11213.54  2356.96 11213.54  2356.96   0.0000   0.0000  164.555   17.930  ?   ?  0.000000 17.93037 
1 1 1  -27   17    8 o  414.096   31.400 71957.84 10479.23 71957.84 10479.23   0.0000   0.0000  414.096   31.400  ?   ?  0.000000 31.40036 
1 1 1  -27   17   10 o  137.602   11.812  7781.70  1306.94   0.0000   0.0000  7781.70  1306.94  ?   ?   137.602   11.812 0.000000 11.81201 
1 1 1  -27   17   11 o  225.233   16.962 20951.81  3079.22   0.0000   0.0000 20951.81  3079.22  ?   ?   225.233   16.962 0.000000 16.96177 
1 1 1  -27   17   12 o  148.394   12.787  9074.09  1525.70   0.0000   0.0000  9074.09  1525.70  ?   ?   148.394   12.787 0.000000 12.78724 
1 1 1  -27   17   13 o  236.051   12.899 22898.58  2462.87   0.0000   0.0000 22898.58  2462.87  ?   ?   236.051   12.899 0.000000 12.89864 
1 1 1  -27   17   14 o  176.042   10.760 12732.42  1530.67   0.0000   0.0000 12732.42  1530.67  ?   ?   176.042   10.760 0.000000 10.76013 
1 1 1  -27   17   15 o  160.025   10.808 10564.20  1396.08   0.0000   0.0000 10564.20  1396.08  ?   ?   160.025   10.808 0.000000 10.80782 
1 1 1  -27   17   16 o  176.679   11.288 12946.65  1610.86   0.0000   0.0000 12946.65  1610.86  ?   ?   176.679   11.288 0.000000 11.28780 
1 1 1  -27   17   17 o  143.795   10.843  8617.81  1256.71   0.0000   0.0000  8617.81  1256.71  ?   ?   143.795   10.843 0.000000 10.84326 
1 1 1  -27   17   18 o   91.039   11.518  3515.35  832.372   0.0000   0.0000  3515.35  832.372  ?   ?    91.039   11.518 0.000000 11.51795 
1 1 1  -27   17   19 o  167.725   12.343 11968.23  1669.17   0.0000   0.0000 11968.23  1669.17  ?   ?   167.725   12.343 0.000000 12.34317 
1 1 1  -27   17   20 o  116.667   13.246  5930.69  1232.52   0.0000   0.0000  5930.69  1232.52  ?   ?   116.667   13.246 0.000000 13.24563 
1 1 1  -27   17   21 o   97.617   14.005  4275.53  1078.27   0.0000   0.0000  4275.53  1078.27  ?   ?    97.617   14.005 0.000000 14.00523 
1 1 1  -27   17   22 o   46.811   19.393  752.385  1205.98   0.0000   0.0000  752.385  1205.98  ?   ?    46.811   19.393 0.000000 19.39294 
1 1 1  -27   17   23 o   52.137   19.668  1454.64  1136.13   0.0000   0.0000  1454.64  1136.13  ?   ?    52.137   19.668 0.000000 19.66820 
1 1 1  -27   17   24 o   34.549   16.278 -326.4189  1181.97   0.0000   0.0000 -326.4189  1181.97  ?   ?    34.549   16.278 0.000000 16.27774 
1 1 1  -27   19    1 o  548.412   27.802 124514.50 12339.34   0.0000   0.0000 124514.50 12339.34  ?   ?   548.412   27.802 0.000000 27.80154 
1 1 1  -27   19    2 o  506.886   21.397 105404.40  8806.49 93878.77 15447.55 110953.80 10718.94  470.399   40.850  518.946   25.438 -48.54718 48.12290 
1 1 1  -27   19    3 o  281.312   16.708 32452.23  3799.22   0.0000   0.0000 32452.23  3799.22  ?   ?   281.312   16.708 0.000000 16.70789 
1 1 1  -27   19    4 o  421.315   22.816 73200.42  7776.19 64613.14 11222.28 81131.71 10785.12  391.325   35.712  441.069   30.299 -49.74380 46.83337 
1 1 1  -27   19    5 o  433.096   22.673 77382.65  7945.29 76214.23 11490.58 78453.07 10998.24  425.834   33.503  432.922   31.504 -7.087891 45.98864 
1 1 1  -27   19    6 o  361.517   19.093 53750.33  5584.72 55939.49  8125.85 51790.59  7688.27  366.335   27.519  352.568   27.063 13.76700 38.59671 
1 1 1  -27   19    7 o   90.149   11.858  3369.99  846.921  2832.50  1555.90  3596.29  1009.59   81.669   22.664   92.852   13.812 -11.18317 26.54094 
1 1 1  -27   19    8 o  296.010   16.207 35992.72  3880.60 39044.81  5754.93 33447.79  5255.08  306.486   23.300  283.623   23.018 22.86295 32.75217 
1 1 1  -27   19    9 o  259.304   23.272 28061.38  4847.60 28061.38  4847.60   0.0000   0.0000  259.304   23.272  ?   ?  0.000000 23.27167 
1 1 1  -27   19   10 f  113.801   12.146  5349.45  1104.99  6253.46  2013.73  4959.98  1321.75  121.289   21.220  108.950   15.368 12.33952 26.20082 
1 1 1  -27   19   11 o  142.407   8.4592  8290.42  973.739  9420.95  2417.80  8071.55  1063.83  149.538   20.448  140.395   9.3863 9.143951 22.49982 
1 1 1  -27   19   12 o  224.638   10.839 20624.39  1977.00 22200.24  4015.47 20120.17  2271.37  229.805   21.780  221.248   12.697 8.557770 25.21047 
1 1 1  -27   19   13 o  132.433   10.176  7215.06  1085.88 10600.33  2288.96  6231.93  1233.52  158.766   18.078  122.576   12.572 36.19068 22.01979 
1 1 1  -27   19   14 o  198.232   13.377 16306.12  2140.47 13907.19  3618.37 17597.51  2654.81  177.830   25.813  205.003   16.078 -27.17252 30.41115 
1 1 1  -27   19   15 o   75.357   12.745  2416.27  752.023 -256.4783  1648.89  3118.24  845.027   48.827   21.481   85.908   12.479 -37.08140 24.84274 
1 1 1  -27   19   16 o   23.434   11.270 -911.4211  629.076 -1829.9250  1689.41 -763.5646  677.820   40.231   19.105   25.796   12.206 14.43554 22.67128 
1 1 1  -27   19   17 o   82.453   13.935  2943.62  899.682  1787.75  2186.73  3179.15  987.097   69.164   26.975   85.461   14.759 -16.29714 30.74886 
1 1 1  -27   19   18 o  123.959   13.441  6601.78  1331.16  5524.98  2790.48  6919.01  1514.60  102.126   30.963  126.054   15.098 -23.92852 34.44798 
1 1 1  -27   19   19 o  196.713   15.669 17063.25  2481.93 14601.64  4334.53 18264.01  3027.34  159.874   34.410  200.094   18.856 -40.22012 39.23731 
1 1 1  -27   19   20 o  131.988   15.298  7834.51  1609.12  5368.50  3094.67  8748.27  1883.80   91.898   32.815  137.844   17.206 -45.94617 37.05193 
1 1 1  -27   19   21 o   49.087   23.507 -1417.8700  2671.61 -1417.8700  2671.61   0.0000   0.0000   49.087   23.507  ?   ?  0.000000 23.50658 
1 1 1  -27   19   22 o   55.776   26.466  682.639  3229.73  682.639  3229.73   0.0000   0.0000   55.776   26.466  ?   ?  0.000000 26.46565 
1 1 1  -27   21    1 o  442.458   23.493 80864.86  8409.90   0.0000   0.0000 80864.86  8409.90  ?   ?   442.458   23.493 0.000000 23.49304 
1 1 1  -27   21    2 o  705.475   29.023 206701.50 16624.88 203829.30 29091.67 208094.41 20258.76  681.330   53.004  703.069   35.604 -21.73895 63.85135 
1 1 1  -27   21    3 f  776.021   31.243 251234.41 19686.26 253826.80 34316.16 249962.80 24034.48  756.003   56.307  767.741   38.679 -11.73712 68.31211 
1 1 1  -27   21    4 o  442.794   19.015 80453.22  6836.54 75819.82 11972.55 82694.92  8327.71  423.166   35.163  447.259   23.009 -24.09265 42.02234 
1 1 1  -27   21    5 o  132.951   12.219  7269.91  1304.30  8179.12  2180.47  6763.32  1627.60  139.752   19.767  127.571   16.069 12.18096 25.47477 
1 1 1  -27   21    6 o  433.196   21.999 77621.05  7712.56 86442.71 11236.47 69762.62 10605.29  453.326   30.708  406.223   32.423 47.10349 44.65678 
1 1 1  -27   21    7 o  507.951   25.161 107183.30 10377.21 118344.40 14985.18 96899.16 14384.43  527.025   35.221  475.125   37.593 51.90021 51.51455 
1 1 1  -27   21    8 o  394.052   31.668 65953.77 10046.96 65953.77 10046.96   0.0000   0.0000  394.052   31.668  ?   ?  0.000000 31.66843 
1 1 1  -27   21    9 o   57.160   15.877  1380.95  763.213  2353.31  1534.64  1061.43  879.719   75.099   23.002   52.359   17.556 22.74099 28.93636 
1 1 1  -27   21   10 o  181.462   13.632 13569.05  1993.85 11235.38  3229.20 15006.89  2534.73  161.963   25.390  190.240   16.575 -28.27745 30.32096 
1 1 1  -27   21   11 o   65.947   8.2641  1800.39  432.793 -902.5120  1724.75  1982.02  447.098   46.679   21.142   69.266   8.1027 -22.58761 22.64183 
1 1 1  -27   21   12 f  308.361   14.431 39228.10  3613.23 35514.46  6992.66 40580.79  4220.29  284.191   30.796  312.376   16.699 -28.18509 35.03263 
1 1 1  -27   21   13 o  277.320   13.262 31794.28  2986.25 31805.57  5978.73 31790.53  3447.02  268.182   27.863  276.026   15.442 -7.844940 31.85592 
1 1 1  -27   21   14 o   30.450   11.995  223.217  435.979  2878.24  2047.12   97.072  446.216   80.993   26.770   28.524   11.805 52.46888 29.25752 
1 1 1  -27   21   15 o  153.604   9.5570  9764.22  1186.06 10858.66  2877.40  9540.21  1301.79  155.066   23.597  151.477   10.652 3.588806 25.89019 
1 1 1  -27   21   16 o  176.248   10.540 12947.67  1501.44 11211.19  3499.91 13339.33  1662.16  151.396   29.531  178.450   11.533 -27.05342 31.70366 
1 1 1  -27   21   17 o  160.727   10.792 10845.08  1400.24  8340.33  3618.09 11286.32  1518.58  122.744   34.738  163.615   11.504 -40.87009 36.59355 
1 1 1  -27   21   18 o   85.744   12.298  3180.31  831.708 -2458.1230  2907.73  3682.73  867.972   51.351   24.573   92.580   11.816 -41.22886 27.26638 
1 1 1  -27   21   19 o   56.416   15.630  1463.39  740.609  589.981  2976.73  1521.02  764.654   62.198   28.009   57.430   15.870 4.768078 32.19272 
1 1 1  -27   21   20 o  206.972   8.7490 18062.82  1470.31 26896.39  3606.15 16301.57  1610.22  236.516   18.937  195.103   10.200 41.41325 21.50890 
1 1 1  -27   21   21 o   71.914   21.630  2882.30  1365.77  1173.61  3206.18  3261.09  1509.58   58.895   27.443   75.422   22.753 -16.52728 35.64820 
1 1 1  -27   21   22 o   51.094   21.083  1409.46  1417.23   0.0000   0.0000  1409.46  1417.23  ?   ?    51.094   21.083 0.000000 21.08336 
1 1 1  -27   23    1 o  605.596   31.309 154000.59 15342.82   0.0000   0.0000 154000.59 15342.82  ?   ?   605.596   31.309 0.000000 31.30915 
1 1 1  -27   23    2 o  545.423   27.837 124181.00 12286.96   0.0000   0.0000 124181.00 12286.96  ?   ?   545.423   27.837 0.000000 27.83693 
1 1 1  -27   23    3 o  606.300   24.753 152389.09 12185.83 167464.20 21430.74 145186.00 14813.72  621.826   42.704  587.519   31.164 34.30743 52.86650 
1 1 1  -27   23    4 o   98.436   13.123  4026.89  1022.77  4392.18  2149.79  3920.01  1162.80  100.906   26.057   96.699   15.320 4.207146 30.22752 
1 1 1  -27   23    5 o  198.482   12.914 16162.61  2069.84 14767.79  3741.81 16777.60  2484.58  186.876   25.311  201.827   15.274 -14.95090 29.56284 
1 1 1  -27   23    6 o  378.387   32.000 60941.03  9739.53 60941.03  9739.53   0.0000   0.0000  378.387   32.000  ?   ?  0.000000 32.00028 
1 1 1  -27   23    7 o  403.623   22.353 67805.41  7297.04 65856.48 10784.27 69451.22  9910.21  391.367   34.282  404.347   30.408 -12.97980 45.82460 
1 1 1  -27   23    8 o  265.169   16.457 29037.96  3525.74 29651.27  5475.49 28603.55  4608.21  264.771   25.797  261.476   21.907 3.295441 33.84362 
1 1 1  -27   23    9 o   84.020   16.668  3010.16  1096.97  2806.97  2125.14  3083.97  1280.80   82.780   27.271   84.654   19.089 -1.873756 33.28852 
1 1 1  -27   23   10 o  206.227   14.696 17610.36  2444.73 17300.19  3987.98 17797.09  3094.35  200.764   25.006  206.094   18.695 -5.330582 31.22167 
1 1 1  -27   23   11 o  350.376   15.085 50849.18  4291.53 51486.35  8256.32 50613.30  5023.47  341.631   30.070  347.769   17.850 -6.137817 34.96930 
1 1 1  -27   23   12 o  119.081   8.5197  5833.77  818.324 10082.69  2537.23  5340.47  864.524  152.560   21.042  113.732   9.4472 38.82778 23.06593 
1 1 1  -27   23   13 o  172.322   10.563 12293.25  1470.79  7179.48  3595.55 13320.88  1611.81  120.633   34.790  179.217   11.131 -58.58378 36.52749 
1 1 1  -27   23   14 o  169.585   10.244 11931.11  1403.98 10794.60  3611.84 12133.40  1523.82  149.308   30.814  170.725   11.052 -21.41722 32.73642 
1 1 1  -27   23   15 o   78.281   10.375  2585.42  643.222 -3764.3240  2789.07  2942.11  661.042   47.675   23.123   83.715   9.9178 -36.04031 25.16018 
1 1 1  -27   23   16 o   99.036   9.9878  4121.11  792.195  4514.72  3175.34  4094.99  818.063   92.709   33.225   98.589   10.375 -5.879486 34.80760 
1 1 1  -27   23   17 o  103.029   10.592  4500.76  873.469  154.196  3406.15  4806.71  903.688   65.351   29.645  106.505   10.590 -41.15367 31.47947 
1 1 1  -27   23   18 o   67.641   13.244  2038.26  701.352  1361.11  3425.66  2067.89  716.530   68.467   30.497   68.059   13.443 0.4081955 33.32840 
1 1 1  -27   23   19 o   15.685   7.9551 -1830.4290  519.627  2994.39  3398.17 -1945.9470  525.811   72.853   31.456  ?   ?  0.000000 31.45589 
1 1 1  -27   23   20 o   33.648   15.932 -879.8262  1158.11  1087.41  3834.12 -1077.3290  1214.86   61.264   29.002   33.509   15.993 27.75461 33.11919 
1 1 1  -27   23   21 o   71.965   23.359  3298.39  1561.27  5168.35  4700.70  3066.53  1655.23   65.999   31.489   68.155   24.035 -2.156151 39.61349 
1 1 1  -27   23   22 o   29.573   14.245 -844.5934  1014.29   0.0000   0.0000 -844.5934  1014.29  ?   ?    29.573   14.245 0.000000 14.24476 
1 1 1  -27   25    1 o  360.161   20.993 53767.32  6112.69   0.0000   0.0000 53767.32  6112.69  ?   ?   360.161   20.993 0.000000 20.99348 
1 1 1  -27   25    2 o  244.001   17.042 24574.41  3355.13   0.0000   0.0000 24574.41  3355.13  ?   ?   244.001   17.042 0.000000 17.04181 
1 1 1  -27   25    3 o  314.122   15.985 40598.61  4063.70 42463.71  7529.77 39832.14  4827.01  316.279   29.667  310.208   19.259 6.071014 35.37043 
1 1 1  -27   25    4 o  335.190   21.960 46791.55  5943.77 44146.47  8370.22 49482.04  8441.78  320.743   32.592  340.657   30.854 -19.91364 44.88049 
1 1 1  -27   25    5 o  383.144   23.873 61462.45  7389.98 65803.06 10277.44 56815.72 10633.68  391.456   32.632  360.916   36.801 30.53946 49.18463 
1 1 1  -27   25    6 o  610.487   26.363 156924.00 13068.22 165144.41 22845.58 152926.00 15932.25  601.891   47.122  595.837   33.061 6.054138 57.56358 
1 1 1  -27   25    7 o   59.006   17.575  1459.31  904.908  2723.51  1910.50  1093.67  1027.47   80.813   25.800   54.238   18.950 26.57489 32.01130 
1 1 1  -27   25    8 o   64.262   17.669  1767.59  950.598  1923.77  2129.49  1728.72  1062.32   73.628   27.090   63.963   19.040 9.664978 33.11169 
1 1 1  -27   25    9 o  294.258   18.395 36313.07  4372.97 36075.20  6811.83 36479.83  5703.38  286.114   29.757  291.513   24.317 -5.399078 38.42930 
1 1 1  -27   25   10 o  310.440   19.487 40853.28  4887.22 37640.70  7531.11 43190.36  6423.44  287.109   32.899  314.719   25.352 -27.60977 41.53366 
1 1 1  -27   25   11 o  127.924   14.985  6922.68  1526.97  5438.28  3018.03  7433.40  1770.27  107.201   32.133  131.915   16.917 -24.71432 36.31454 
1 1 1  -27   25   12 o  173.706   9.5819 12462.18  1346.24 16323.79  3664.84 11859.82  1447.44  190.879   24.189  169.123   10.594 21.75597 26.40697 
1 1 1  -27   25   13 o  170.259   10.284 12039.95  1415.05  9363.83  3838.49 12460.84  1522.26  135.051   34.791  172.985   10.893 -37.93419 36.45614 
1 1 1  -27   25   14 o  112.143   9.3704  5237.98  845.418  6576.35  3066.34  5127.88  879.506  112.916   31.988  110.795   9.8801 2.120392 33.47924 
1 1 1  -27   25   15 o  129.380   9.6426  6996.04  1005.70  9106.40  3431.07  6797.68  1051.90  130.749   32.467  127.281   10.266 3.467865 34.05135 
1 1 1  -27   25   16 o   72.723   11.452  2282.12  653.836  2449.61  3070.30  2274.16  669.186   75.291   31.046   72.476   11.776 2.815086 33.20384 
1 1 1  -27   25   17 o   35.411   13.637  401.338  553.348 -4520.5181  3306.27  543.173  561.264   48.375   23.818   38.061   13.922 10.31403 27.58875 
1 1 1  -27   25   18 f   29.723   12.870   8.1260  572.148 -201.9806  4002.72   12.508  578.084   62.305   29.534   29.918   12.946 32.38700 32.24706 
1 1 1  -27   25   19 o   75.300   21.548  3082.48  1384.24  1479.56  4746.32  3231.50  1447.16   64.644   31.055   76.646   22.062 -12.00258 38.09409 
1 1 1  -27   25   20 o   56.991   22.344  1896.50  1506.24 -2139.1250  5159.57  2272.48  1574.84   53.542   26.892   60.658   23.090 -7.115425 35.44514 
1 1 1  -27   25   21 o   46.247   20.591  1004.17  1559.81   0.0000   0.0000  1004.17  1559.81  ?   ?    46.247   20.591 0.000000 20.59071 
1 1 1  -27   27    1 o   98.686   29.779  4209.17  2585.59   0.0000   0.0000  4209.17  2585.59  ?   ?    98.686   29.779 0.000000 29.77875 
1 1 1  -27   27    2 o  213.043   27.520 19508.27  4649.30   0.0000   0.0000 19508.27  4649.30  ?   ?   213.043   27.520 0.000000 27.52042 
1 1 1  -27   27    3 o  180.225   16.886 13527.40  2442.18   0.0000   0.0000 13527.40  2442.18  ?   ?   180.225   16.886 0.000000 16.88565 
1 1 1  -27   27    4 o  148.323   14.939  9150.32  1774.65  9893.40  3815.05  8945.13  2004.75  148.471   32.544  146.059   17.236 2.412079 36.82661 
1 1 1  -27   27    5 o  184.449   14.698 14114.85  2182.98 14531.62  4240.76 13964.60  2546.24  181.463   29.818  182.688   17.375 -1.224854 34.51048 
1 1 1  -27   27    6 o  192.159   14.618 15340.07  2263.67 16225.59  4496.05 15039.37  2619.96  191.141   29.954  189.427   17.222 1.713913 34.55164 
1 1 1  -27   27    7 o  205.614   16.632 17724.17  2753.00 17049.17  4707.77 18074.95  3393.77  194.509   30.837  205.965   20.568 -11.45615 37.06725 
1 1 1  -27   27    8 o  126.366   16.103  6767.45  1614.69  8352.88  3337.70  6283.03  1844.95  134.019   31.248  120.525   19.520 13.49383 36.84342 
1 1 1  -27   27    9 o  148.420   16.079  9339.87  1906.69  9941.95  3919.68  9153.24  2182.28  143.598   34.121  145.771   18.881 -2.172409 38.99692 
1 1 1  -27   27   10 o  242.493   17.696 25109.27  3460.17 25515.24  5849.38 24890.75  4291.55  232.448   31.828  237.913   22.482 -5.465012 38.96729 
1 1 1  -27   27   11 o   60.926   19.277  1601.45  1068.40  3087.20  2600.05  1299.62  1171.91   83.593   30.054   57.263   20.220 26.32985 36.22302 
1 1 1  -27   27   12 o   79.574   18.948  2854.85  1206.70  926.065  2790.25  3298.58  1338.33   67.941   28.901   85.354   19.709 -17.41315 34.98161 
1 1 1  -27   27   13 o  170.518   9.8865 12111.91  1362.96 15467.72  4248.57 11726.93  1439.02  175.430   30.958  167.442   10.640 7.988068 32.73533 
1 1 1  -27   27   14 o   84.180   9.7578  2988.08  654.593 -488.2441  3352.29  3125.89  667.442   63.339   28.991   86.137   9.7126 -22.79813 30.57427 
1 1 1  -27   27   15 o   99.997   9.7199  4220.26  779.225  2243.92  3727.59  4310.57  796.830   75.978   32.875  101.023   9.8390 -25.04494 34.31586 
1 1 1  -27   27   16 o   94.147   10.680  3801.60  801.977 -1495.7780  3954.73  4028.79  818.993   60.650   28.922   97.000   10.570 -36.35004 30.79279 
1 1 1  -27   27   17 o  253.325   10.634 27497.41  2187.27 46441.96  4603.63 21974.05  2485.76  313.541   18.161  222.126   13.851 91.41515 22.84005 
1 1 1  -27   27   18 o   64.656   22.553  2317.28  1455.10  2100.26  3758.98  2355.53  1578.13   64.627   29.979   64.688   23.393 -0.6104279E-01 38.02591 
1 1 1  -27   27   19 o   71.170   22.278  3060.42  1430.75 -4928.9800  4967.37  3783.19  1494.07   49.557   25.074   79.840   22.228 -30.28253 33.50795 
1 1 1  -27   27   20 o   61.916   24.536  3042.20  1834.57   0.0000   0.0000  3042.20  1834.57  ?   ?    61.916   24.536 0.000000 24.53639 
1 1 1  -27   29    1 o  208.196   18.627 18291.53  3115.67   0.0000   0.0000 18291.53  3115.67  ?   ?   208.196   18.627 0.000000 18.62746 
1 1 1  -27   29    2 o  348.113   22.634 51780.07  6362.82   0.0000   0.0000 51780.07  6362.82  ?   ?   348.113   22.634 0.000000 22.63378 
1 1 1  -27   29    3 o   71.091   23.098  2119.88  1526.43   0.0000   0.0000  2119.88  1526.43  ?   ?    71.091   23.098 0.000000 23.09795 
1 1 1  -27   29    4 o  260.771   17.029 28570.45  3585.89 31926.35  7243.70 27481.09  4127.06  262.550   34.839  254.018   20.176 8.531036 40.25969 
1 1 1  -27   29    5 o  405.937   20.492 70303.02  6732.56 77952.30 12488.64 67169.20  7993.59  403.887   38.550  391.901   25.255 11.98624 46.08578 
1 1 1  -27   29    6 o  285.186   17.412 34401.95  4012.74 40516.09  7616.41 32052.73  4721.12  295.940   32.217  272.383   21.522 23.55746 38.74413 
1 1 1  -27   29    7 o  197.538   16.340 16532.73  2597.30 18423.36  5301.51 15935.63  2979.35  195.601   34.649  192.331   19.340 3.269470 39.68083 
1 1 1  -27   29    8 o  291.011   20.612 36795.32  4838.93 36108.09  7999.58 37191.89  6076.74  269.150   37.634  286.716   26.399 -17.56604 45.96951 
1 1 1  -27   29    9 o  133.415   17.740  7730.25  1874.05  5851.33  3924.11  8285.41  2133.01  107.288   37.059  137.188   19.715 -29.89998 41.97649 
1 1 1  -27   29   10 o  146.514   17.177  9320.81  2004.67 16681.96  4356.35  7343.28  2257.94  185.911   29.870  126.792   22.769 59.11961 37.55878 
1 1 1  -27   29   11 o  218.303   18.676 20968.32  3278.51 20576.65  6106.47 21126.94  3886.09  191.438   40.547  215.438   22.549 -23.99983 46.39502 
1 1 1  -27   29   12 o  137.717   9.5777  7915.84  1064.33  6689.02  4257.01  7997.65  1099.24  106.670   38.445  138.322   9.8517 -31.65226 39.68705 
1 1 1  -27   29   13 o  120.509   8.8033  6061.64  855.435  7953.11  4029.68  5972.38  875.386  113.654   37.559  119.507   9.0894 -5.852554 38.64301 
1 1 1  -27   29   14 o   79.006   10.108  2662.43  633.567  3375.74  3808.72  2642.13  642.519   80.895   34.055   78.624   10.313 2.271896 35.58263 
1 1 1  -27   29   15 o   23.834   10.532 -92.3183  400.681  3105.47  4121.83 -122.8247  402.588   76.745   33.854   23.477   10.456 53.26830 35.43226 
1 1 1  -27   29   16 o   49.870   19.128  1044.27  1085.91 -2324.9099  4562.01  1246.63  1118.05   58.446   28.614   52.596   19.576 5.849564 34.66993 
1 1 1  -27   29   17 o   40.428   18.213 -24.3712  1260.06 -1707.8831  4826.26   98.781  1305.34   57.061   28.223   41.868   18.724 15.19300 33.86929 
1 1 1  -27   29   18 o   39.247   18.237 -258.6267  1400.33  2514.28  5320.74 -464.9875  1451.50   60.016   29.675   38.672   18.163 21.34403 34.79285 
1 1 1  -27   29   19 o   41.641   19.331  252.838  1567.25   0.0000   0.0000  252.838  1567.25  ?   ?    41.641   19.331 0.000000 19.33060 
1 1 1  -27   31    1 o   56.179   21.641  987.035  1393.97   0.0000   0.0000  987.035  1393.97  ?   ?    56.179   21.641 0.000000 21.64129 
1 1 1  -27   31    2 o  158.048   21.096 10911.10  2639.68   0.0000   0.0000 10911.10  2639.68  ?   ?   158.048   21.096 0.000000 21.09611 
1 1 1  -27   31    3 o  148.172   21.096  9627.32  2466.43   0.0000   0.0000  9627.32  2466.43  ?   ?   148.172   21.096 0.000000 21.09619 
1 1 1  -27   31    4 o  207.835   20.157 18742.77  3358.77   0.0000   0.0000 18742.77  3358.77  ?   ?   207.835   20.157 0.000000 20.15664 
1 1 1  -27   31    5 o  107.132   21.484  5146.44  1803.78  6567.86  4916.55  4925.37  1938.98  113.201   41.236  103.876   23.534 9.325089 47.47921 
1 1 1  -27   31    6 o   92.864   21.484  3908.70  1587.78  4873.71  4508.97  3772.10  1696.44  101.354   38.954   90.685   23.004 10.66981 45.23922 
1 1 1  -27   31    7 o   67.126   23.008  1926.16  1511.28  3277.33  3942.13  1693.37  1636.29   89.257   35.771   65.193   23.783 24.06303 42.95539 
1 1 1  -27   31    8 f  136.785   19.002  8274.08  2053.43  9030.02  5151.28  8131.27  2239.01  124.007   42.479  134.264   21.245 -10.25645 47.49536 
1 1 1  -27   31    9 o   65.001   21.866  1857.33  1364.62  1125.59  3961.13  1955.87  1453.60   76.089   33.388   66.582   22.566 9.507324 40.29926 
1 1 1  -27   31   10 o  101.651   21.768  4832.69  1742.50  9392.64  4900.57  4172.73  1864.33  122.450   41.435   92.861   24.406 29.58873 48.08829 
1 1 1  -27   31   11 o  125.589   21.103  7346.79  2075.65  7742.70  5249.62  7273.43  2259.80  107.481   41.830  123.149   23.456 -15.66753 47.95816 
1 1 1  -27   31   12 o   80.248   23.205  3190.86  1597.69  3738.33  4859.24  3124.50  1691.75   85.100   37.170   79.024   24.142 6.076057 44.32214 
1 1 1  -27   31   13 o   92.012   9.5685  3593.68  704.417  213.826  5082.23  3659.88  711.282   70.901   33.511   92.863   9.5704 -21.96190 34.85102 
1 1 1  -27   31   14 o   52.324   11.685  1223.03  483.921  2171.00  4890.52  1213.66  486.307   72.619   33.856   52.089   11.775 20.52967 35.84542 
1 1 1  -27   31   15 o   68.386   23.462  2593.96  1571.64 -181.5018  5286.95  2863.00  1646.05   63.670   31.093   71.190   24.014 -7.520596 39.28714 
1 1 1  -27   31   16 o   95.381   24.719  5471.55  1930.07 12598.88  5971.45  4640.11  2039.54   88.206   39.701   84.008   26.640 4.198570 47.81023 
1 1 1  -27   31   17 o   56.280   22.681  1968.38  1594.48 -1981.3640  6382.12  2231.33  1646.70   53.829   27.359   58.584   23.237 -4.755287 35.89499 
1 1 1  -27   33    1 o  183.599   23.181 15170.51  3378.66   0.0000   0.0000 15170.51  3378.66  ?   ?   183.599   23.181 0.000000 23.18053 
1 1 1  -27   33    2 o  185.763   22.357 15453.13  3304.43   0.0000   0.0000 15453.13  3304.43  ?   ?   185.763   22.357 0.000000 22.35670 
1 1 1  -27   33    3 o  175.742   22.771 13933.56  3172.92   0.0000   0.0000 13933.56  3172.92  ?   ?   175.742   22.771 0.000000 22.77074 
1 1 1  -27   33    4 o  184.599   22.842 15428.34  3350.65   0.0000   0.0000 15428.34  3350.65  ?   ?   184.599   22.842 0.000000 22.84181 
1 1 1  -27   33    5 o   24.101   12.094 -2914.4771  1031.95  352.098  4626.62 -3085.4951  1058.62   77.501   34.908   24.119   12.123 53.38187 36.95317 
1 1 1  -27   33    6 o  134.176   22.069  8254.10  2320.73  6571.58  6194.47  8528.82  2503.03  106.705   44.058  135.337   23.638 -28.63268 49.99858 
1 1 1  -27   33    7 o  250.448   21.546 28504.09  4338.78 23237.54  9567.81 29867.48  4868.09  163.446   57.770  253.290   23.955 -89.84340 62.53931 
1 1 1  -27   33    8 o   86.284   24.238  3623.27  1768.18  9282.01  5491.02  2968.61  1867.67  117.201   43.431   78.306   25.555 38.89539 50.39166 
1 1 1  -27   33    9 o   68.744   23.946  2199.14  1640.07  8119.98  6512.58  1798.22  1694.69  105.276   44.437   64.589   24.090 40.68728 50.54626 
1 1 1  -27   33   10 o  173.050   22.743 14392.11  3118.25 13880.08  8193.40 14478.83  3372.00  116.468   49.533  170.911   25.041 -54.44298 55.50344 
1 1 1  -27   33   11 o   67.843   23.386  2266.96  1562.33  5263.83  6039.59  2052.04  1617.38   87.749   39.670   65.456   23.681 22.29255 46.20067 
1 1 1  -27   33   12 o   51.549   21.631  781.502  1528.46 -9187.7773  6052.46  1460.60  1579.67   56.607   28.522   58.113   22.851 -1.505974 36.54661 
1 1 1  -27   33   13 o  118.645   24.936  7724.24  2325.92  9933.69  7387.96  7481.16  2450.53   86.754   40.820  114.015   26.904 -27.26163 48.88868 
1 1 1  -27   33   14 o   98.130   24.337  5564.57  1929.63  639.333  7385.76  5925.39  1999.06   65.068   32.610  101.090   24.590 -36.02193 40.84241 
1 1 1  -27   33   15 o   87.226   24.937  4866.72  1854.75 -4103.5942  6542.94  5650.53  1934.08   54.472   27.687   94.949   24.812 -40.47761 37.17807 
1 1 1  -27   33   16 o   59.414   24.112  2592.82  1815.70  1901.59  7703.95  2633.47  1868.34   55.340   28.295   59.483   24.336 -4.143860 37.32088 
1 1 1  -27   35    1 o  144.382   26.259 10037.17  2964.98   0.0000   0.0000 10037.17  2964.98  ?   ?   144.382   26.259 0.000000 26.25857 
1 1 1  -27   35    2 o  181.337   25.226 15597.89  3613.72   0.0000   0.0000 15597.89  3613.72  ?   ?   181.337   25.226 0.000000 25.22643 
1 1 1  -27   35    3 o  271.034   26.237 35235.13  5701.73   0.0000   0.0000 35235.13  5701.73  ?   ?   271.034   26.237 0.000000 26.23697 
1 1 1  -27   35    4 o  152.900   26.496 11428.76  3170.31   0.0000   0.0000 11428.76  3170.31  ?   ?   152.900   26.496 0.000000 26.49617 
1 1 1  -27   35    5 o  132.982   26.956  8828.12  2810.97   0.0000   0.0000  8828.12  2810.97  ?   ?   132.982   26.956 0.000000 26.95580 
1 1 1  -27   35    6 o  125.991   26.660  8006.11  2642.23  5228.17  9011.79  8267.38  2763.69   95.545   44.995  127.231   27.550 -31.68635 52.75930 
1 1 1  -27   35    7 f  110.289   27.289  6346.36  2430.46 14138.90  7486.16  5428.22  2569.66  122.190   49.179   99.599   29.604 22.59087 57.40191 
1 1 1  -27   35    8 f   80.373   26.606  3409.58  2021.85  1209.53  7321.60  3591.20  2103.65   80.270   38.565   82.032   27.138 -1.762482 47.15633 
1 1 1  -27   35    9 o   55.458   23.218  962.274  1754.67  4725.52  7322.12  732.995  1807.33   84.520   40.031   54.142   23.151 30.37855 46.24283 
1 1 1  -27   35   10 o   62.086   24.509  1810.07  1823.83  5087.01  8001.04  1630.46  1873.15   81.135   39.307   60.705   24.541 20.43036 46.33917 
1 1 1  -27   35   11 o   73.742   27.067  3264.34  2123.98 23158.93  8464.75  1927.60  2194.17  115.306   49.716   62.588   26.063 52.71729 56.13351 
1 1 1  -27   35   12 o  100.941   29.139  6755.01  2521.31 -3849.9470  9221.05  7611.95  2621.20   63.180   32.187  107.810   29.215 -44.62952 43.46854 
1 1 1  -27   35   13 o   40.621   19.138 -565.5868  1633.72 -455.5403  8646.94 -569.6606  1663.69   60.644   30.918   40.909   19.286 19.73482 36.44016 
1 1 1  -27   35   14 o   49.545   22.174  1103.16  1834.34  3076.89  9464.49  1026.13  1869.79   57.899   29.726   49.203   22.174 8.696190 37.08567 
1 1 1  -27   37    1 o   46.704   21.963 -1391.6740  2133.51   0.0000   0.0000 -1391.6740  2133.51  ?   ?    46.704   21.963 0.000000 21.96303 
1 1 1  -27   37    2 o   44.151   20.892 -1542.9630  1985.54   0.0000   0.0000 -1542.9630  1985.54  ?   ?    44.151   20.892 0.000000 20.89173 
1 1 1  -27   37    3 o   48.218   22.358 -883.1963  2087.78   0.0000   0.0000 -883.1963  2087.78  ?   ?    48.218   22.358 0.000000 22.35813 
1 1 1  -27   37    4 o  125.762   33.463  9447.69  3476.96   0.0000   0.0000  9447.69  3476.96  ?   ?   125.762   33.463 0.000000 33.46284 
1 1 1  -27   37    5 o   63.900   26.671  1596.96  2305.35   0.0000   0.0000  1596.96  2305.35  ?   ?    63.900   26.671 0.000000 26.67069 
1 1 1  -27   37    6 o   80.380   29.698  3787.13  2563.62   0.0000   0.0000  3787.13  2563.62  ?   ?    80.380   29.698 0.000000 29.69772 
1 1 1  -27   37    7 o   44.635   20.959 -972.8110  1930.60 11202.05 10752.78 -1378.3560  1962.49   87.641   43.113   43.229   20.546 44.41158 47.75899 
1 1 1  -27   37    8 o   83.803   29.701  4552.22  2530.65  5850.02 11459.59  4485.69  2594.71   77.446   39.050   82.780   29.987 -5.334373 49.23542 
1 1 1  -27   37    9 o   87.366   30.006  5264.88  2570.87  9608.42 10622.78  4994.65  2649.64   76.518   38.453   84.179   30.331 -7.660797 48.97593 
1 1 1  -27   37   10 o   77.638   28.992  4394.59  2456.07 -6084.1592 10738.61  4972.99  2522.94   61.709   31.682   82.024   29.591 -20.31465 43.35159 
1 1 1  -27   37   11 o   45.052   20.751  136.134  1755.18  3833.25 11238.90   43.711  1776.98   62.658   32.181   44.732   20.701 17.92547 38.26426 
1 1 1  -27   39    1 o   57.121   26.180  319.935  2746.62   0.0000   0.0000  319.935  2746.62  ?   ?    57.121   26.180 0.000000 26.18021 
1 1 1  -27   39    2 o   77.539   32.898  4113.66  3598.93   0.0000   0.0000  4113.66  3598.93  ?   ?    77.539   32.898 0.000000 32.89759 
1 1 1  -27   39    3 o   71.794   30.279  3142.61  3019.74   0.0000   0.0000  3142.61  3019.74  ?   ?    71.794   30.279 0.000000 30.27884 
1 1 1  -27   39    4 o   92.683   34.501  6803.66  3472.76   0.0000   0.0000  6803.66  3472.76  ?   ?    92.683   34.501 0.000000 34.50081 
1 1 1  -27   39    5 o   50.669   23.638 -205.7325  2389.77   0.0000   0.0000 -205.7325  2389.77  ?   ?    50.669   23.638 0.000000 23.63752 
1 1 1  -27   39    6 o   82.347   32.933  5766.28  3333.83   0.0000   0.0000  5766.28  3333.83  ?   ?    82.347   32.933 0.000000 32.93285 
1 1 1  -27   39    7 f   63.015   28.006  2526.59  2872.53   0.0000   0.0000  2526.59  2872.53  ?   ?    63.015   28.006 0.000000 28.00589 
1 1 1  -27   39    8 o   59.755   26.849  2276.58  2717.59  2528.41 14160.77  2266.95  2769.06   62.420   32.225   59.729   26.945 2.690796 42.00538 
1 1 1  -26    0    3 o  620.405   43.193 159630.09 21516.05   0.0000   0.0000 159630.09 21516.05  620.405   43.193  620.405   43.193 -0.000000 0.000000 
1 1 1  -26    0    4 o  277.313   20.395 31770.21  4535.28   0.0000   0.0000 31770.21  4535.28  277.313   20.395  277.313   20.395 -0.000000 0.000000 
1 1 1  -26    0    5 o  107.966   7.7992  4807.08  675.521  7297.64  925.044  1961.38  988.801  133.222   8.6348   60.196   21.960 -0.000000 0.000000 
1 1 1  -26    0    6 o  627.156   30.565 161273.50 15480.46 156327.70 21932.27 166183.70 21853.31  613.915   44.537  633.721   42.922 0.000000 0.000000 
1 1 1  -26    0    7 o  877.451   41.731 316293.09 29578.55 343426.59 41867.48 289255.41 41793.40  910.077   57.175  832.404   62.651 0.000000 0.000000 
1 1 1  -26    0    8 o  694.503   48.278 200055.70 26922.45   0.0000   0.0000 200055.70 26922.45  694.503   48.278  694.503   48.278 0.000000 0.000000 
1 1 1  -26    0    9 o   90.729   8.0263  3420.56  580.644  2873.17  743.831  4274.42  929.008   81.585   11.987  100.561   11.803 -0.000000 0.000000 
1 1 1  -26    0   10 o  934.807   44.490 361033.50 33594.76 403223.81 47551.68 318990.31 47468.77  981.508   60.185  867.665   68.354 0.000000 0.000000 
1 1 1  -26    0   11 o  171.251   10.213 12042.56  1408.56 11823.89  1946.11 12283.15  2041.31  168.690   14.452  171.888   14.883 -0.000000 0.000000 
1 1 1  -26    0   12 o  219.553   12.281 19782.18  2173.73 17679.62  3122.79 21758.60  3027.66  205.711   19.073  229.451   16.445 0.000000 0.000000 
1 1 1  -26    0   13 o  441.401   22.372 80153.98  7971.32 88885.92 11225.69 71272.80 11321.22  462.644   30.178  412.089   34.386 -0.000000 0.000000 
1 1 1  -26    0   14 o  298.227   15.698 36522.36  3777.18 34264.50  5404.04 38679.03  5281.55  286.637   23.587  305.505   21.537 0.000000 0.000000 
1 1 1  -26    0   15 f  105.876   9.5077  4666.17  802.193  4526.67  1230.73  4769.21  1057.76  101.823   16.088  106.020   12.780 0.000000 0.000000 
1 1 1  -26    0   16 o  294.126   15.556 35567.27  3691.37 36334.84  5153.79 34758.71  5289.62  295.566   21.746  288.591   22.906 -0.000000 0.000000 
1 1 1  -26    0   17 o  156.329   10.154 10068.61  1276.35 12554.44  1891.85  7991.89  1729.17  173.939   13.586  137.190   16.104 0.000000 0.000000 
1 1 1  -26    0   18 o  160.674   10.731 10655.37  1385.69 10918.05  1836.21 10307.89  2111.90  161.675   14.242  155.928   17.216 -0.000000 0.000000 
1 1 1  -26    0   19 f   17.754   11.687 -81.0562  428.896 -207.2137  455.604  901.298  1271.35   16.942   11.428   41.195   23.710 -0.000000 0.000000 
1 1 1  -26    0   20 o  307.371   16.145 39276.91  4004.08 44868.34  5903.12 34512.12  5449.31  325.203   22.607  283.778   24.047 0.000000 0.000000 
1 1 1  -26    0   21 o   96.360   11.456  3962.75  862.940  3781.29  998.716  4497.32  1714.20   92.774   14.260   94.618   25.809 -0.000000 0.000000 
1 1 1  -26    0   22 o   29.574   16.574  496.602  598.906  576.792  652.484   67.593  1509.18   31.494   17.427   34.930   22.603 -0.000000 0.000000 
1 1 1  -26    0   23 o   40.582   18.724  1010.11  678.933  952.563  720.670  1464.23  2024.40   39.094   19.148   49.944   29.389 -0.000000 0.000000 
1 1 1  -26    0   24 o   20.722   13.811 -167.5809  630.195  3071.33  2286.70 -433.7985  655.583   65.532   33.695   18.958   13.034 0.000000 0.000000 
1 1 1  -26    0   25 o   50.334   19.781  1495.32  775.291  1495.32  775.291   0.0000   0.0000   50.334   19.781   50.334   19.781 -0.000000 0.000000 
1 1 1  -26    0   26 o   96.768   15.128  4301.36  1102.02   0.0000   0.0000  4301.36  1102.02   96.768   15.128   96.768   15.128 0.000000 0.000000 
1 1 1  -26    2    2 o  277.772   20.090 31587.62  4500.50 31587.62  4500.50   0.0000   0.0000  277.772   20.090  ?   ?  0.000000 20.08969 
1 1 1  -26    2    3 o  498.870   34.742 102455.60 13984.95 102455.60 13984.95   0.0000   0.0000  498.870   34.742  ?   ?  0.000000 34.74201 
1 1 1  -26    2    4 o  304.969   12.184 37800.09  3017.19 44973.76  5277.41 34316.72  3677.47  331.783   19.678  290.053   15.673 41.72961 25.15645 
1 1 1  -26    2    5 o  583.909   22.576 138909.70 10703.78 158825.09 18587.66 129029.00 13092.47  621.451   37.004  561.412   28.818 60.03882 46.90195 
1 1 1  -26    2    6 o  1661.09  123.128 1236882.00 164885.91 1236882.00 164885.91   0.0000   0.0000  1661.09  123.128  ?   ?  0.000000 123.1277 
1 1 1  -26    2    7 o  837.484   33.085 286788.19 22497.90 287671.41 27550.88 285020.41 38976.88  837.284   40.525  826.769   58.437 10.51483 71.11411 
1 1 1  -26    2    8 o  374.052   15.026 56895.44  4563.78 57147.93  7849.75 56766.52  5609.19  373.378   26.056  373.472   18.497 -0.9384155E-01 31.95364 
1 1 1  -26    2    9 o  366.681   12.540 54664.45  3733.51 56271.30  5272.70 53048.67  5287.30  371.782   17.466  360.946   18.041 10.83615 25.11067 
1 1 1  -26    2   10 o  610.507   20.604 152178.09 10213.67 153755.50 14435.88 150597.09 14452.75  611.956   29.053  605.558   29.394 6.397949 41.32857 
1 1 1  -26    2   11 o  417.395   14.402 71016.45  4881.04 74592.12  6893.65 67421.64  6912.06  426.994   19.883  405.227   21.080 21.76706 28.97788 
1 1 1  -26    2   12 o  451.070   17.865 83256.27  6543.04 81803.56  7999.16 86193.30 11373.92  446.196   22.079  454.405   31.012 -8.209595 38.06876 
1 1 1  -26    2   13 o  396.592   13.841 64205.82  4457.20 63170.09  6292.24 65248.96  6314.70  391.768   19.845  398.730   19.505 -6.961578 27.82555 
1 1 1  -26    2   14 o  225.155   8.8118 20635.08  1610.95 21643.04  2267.42 19607.67  2289.19  229.997   12.185  218.771   12.945 11.22604 17.77740 
1 1 1  -26    2   15 o   32.501   9.7077  434.910  275.811  460.714  351.019  393.273  445.899   34.173   11.075   34.254   12.427 -0.8145142E-01 16.64595 
1 1 1  -26    2   16 o  467.288   16.269 89791.93  6172.85 87305.36  8719.22 92290.53  8740.28  457.030   23.576  470.835   22.862 -13.80518 32.84089 
1 1 1  -26    2   17 f  434.019   15.209 77544.55  5359.84 76267.27  7570.63 78828.15  7589.33  426.763   21.922  434.614   21.506 -7.851074 30.70953 
1 1 1  -26    2   18 o   97.501   6.7304  3892.37  529.570  4209.06  721.643  3522.81  779.555  101.106   8.8803   92.126   10.616 8.980652 13.84021 
1 1 1  -26    2   19 o   23.710   9.4138  122.524  270.521 -78.8843  339.701  471.672  447.263   22.337   9.7903   35.717   12.501 -13.37967 15.87869 
1 1 1  -26    2   20 o  182.556   8.2307 13697.14  1220.03 13636.61  1709.96 13759.91  1741.23  180.674   11.719  181.419   11.886 -0.7456055 16.69201 
1 1 1  -26    2   21 o  187.890   8.7897 14596.85  1340.96 15766.82  1878.01 13379.89  1915.36  193.426   12.017  177.335   13.401 16.09055 17.99986 
1 1 1  -26    2   22 o  104.504   8.1493  4550.26  686.028  3898.65  920.562  5364.13  1028.82   95.169   12.193  112.184   11.455 -17.01516 16.73029 
1 1 1  -26    2   23 o   41.945   12.041  776.234  431.591  909.678  559.452  580.073  678.295   45.295   13.891   40.190   15.188 5.105392 20.58243 
1 1 1  -26    2   24 o  107.009   8.3831  4850.98  722.566  5269.40  985.364  4364.25  1062.74  109.813   11.208   98.174   13.706 11.63918 17.70512 
1 1 1  -26    2   25 o  103.193   9.6532  4657.90  799.438  4635.56  1066.60  4686.55  1207.64   99.671   13.529   98.156   15.680 1.515137 20.70998 
1 1 1  -26    2   26 o  101.909   9.8437  4688.29  804.396  4762.90  1072.51  4592.35  1216.16   98.219   13.831   92.788   16.759 5.430901 21.72941 
1 1 1  -26    4    1 o  357.289   25.432 52334.22  7329.86 52334.22  7329.86   0.0000   0.0000  357.289   25.432  ?   ?  0.000000 25.43210 
1 1 1  -26    4    2 o  687.035   47.638 195733.20 26410.67 195733.20 26410.67   0.0000   0.0000  687.035   47.638  ?   ?  0.000000 47.63791 
1 1 1  -26    4    3 o  524.837   25.249 112346.10 10759.79 116986.50 15245.35 107740.50 15188.10  533.242   35.412  511.360   36.826 21.88211 51.08985 
1 1 1  -26    4    4 o  388.029   19.160 61284.44  6036.81 57045.86  8548.22 65501.52  8526.51  372.727   28.460  399.836   26.412 -27.11002 38.82784 
1 1 1  -26    4    5 f  1181.47   57.026 579007.31 54706.18 581477.12 77374.52 576538.69 77357.91  1168.29   82.087  1163.06   82.450 5.236816 116.3454 
1 1 1  -26    4    6 o  911.446   35.656 340029.69 26387.41 340017.81 45740.14 340035.69 32305.20  901.713   62.866  909.588   43.741 -7.874573 76.58608 
1 1 1  -26    4    7 o  646.350   31.143 170700.09 16344.30 165179.41 23126.17 176209.50 23102.50  631.989   45.369  653.245   43.809 -21.25543 63.06800 
1 1 1  -26    4    8 o  1046.87   41.439 450717.31 35224.39 477859.69 60949.37 437105.19 43162.54  1062.70   71.045  1025.94   51.984 36.75586 88.03190 
1 1 1  -26    4    9 o  885.896   29.847 321455.00 21469.49 329356.31 30350.27 313541.00 30374.62  892.919   41.861  870.819   42.958 22.09961 59.98133 
1 1 1  -26    4   10 o  360.559   12.320 52897.67  3606.77 52481.92  5088.58 53317.41  5113.00  358.732   17.470  361.582   17.415 -2.849243 24.66750 
1 1 1  -26    4   11 o  144.143   7.5756  8468.58  883.533  9612.48  1563.44  7931.85  1070.94  153.095   12.692  139.321   9.5241 13.77464 15.86766 
1 1 1  -26    4   12 o  344.024   14.706 48313.09  4107.96 49058.90  5020.35 46801.92  7146.18  345.755   17.944  335.579   26.441 10.17667 31.95471 
1 1 1  -26    4   13 o  362.585   12.418 53615.76  3655.98 55165.50  5158.09 52051.22  5182.66  367.009   17.309  355.933   17.991 11.07532 24.96565 
1 1 1  -26    4   14 o  229.361   9.0399 21417.77  1683.53 22244.56  2368.17 20573.01  2393.77  233.107   12.558  224.049   13.217 9.057877 18.23159 
1 1 1  -26    4   15 o  133.836   6.6105  7285.14  718.365  7485.58  987.152  7059.50  1047.36  135.259   9.0404  131.231   9.9022 4.027863 13.40832 
1 1 1  -26    4   16 o  405.649   14.062 67465.37  4631.75 66042.96  6534.05 68901.99  6566.64  398.782   20.246  407.980   19.823 -9.197662 28.33441 
1 1 1  -26    4   17 o  236.073   9.1518 22744.39  1754.24 22464.55  2457.61 23035.09  2504.81  233.645   13.006  236.583   13.090 -2.937424 18.45288 
1 1 1  -26    4   18 o  224.607   8.9690 20626.74  1635.70 18596.32  2265.59 22837.38  2364.00  211.996   13.228  235.262   12.419 -23.26573 18.14432 
1 1 1  -26    4   19 o  109.597   7.3329  4933.30  648.779  5008.91  868.412  4837.80  976.010  109.940   9.8320  107.670   11.334 2.270096 15.00443 
1 1 1  -26    4   20 o  113.539   7.4989  5311.18  687.427  5866.18  950.162  4701.61  995.781  118.711   9.9493  105.632   11.812 13.07882 15.44388 
1 1 1  -26    4   21 o  169.586   8.3712 11876.74  1152.70 12955.62  1644.13 10833.74  1616.55  175.413   11.609  159.855   12.555 15.55762 17.09999 
1 1 1  -26    4   22 o  113.642   8.0772  5376.55  740.451  5437.35  979.935  5295.63  1130.42  113.202   10.792  110.749   12.807 2.452995 16.74773 
1 1 1  -26    4   23 o  100.268   8.6147  4234.86  694.546  3895.91  880.787  4792.16  1129.40   94.721   11.701  103.993   13.710 -9.271530 18.02400 
1 1 1  -26    4   24 o   60.649   10.257  1615.91  487.102  1452.27  609.764  1904.49  809.747   56.013   13.554   63.104   15.830 -7.091255 20.83996 
1 1 1  -26    4   25 o   41.160   12.600  789.268  460.553  826.782  550.613  701.890  840.333   42.046   13.883   41.797   16.593 0.2489090 21.63457 
1 1 1  -26    4   26 o   44.663   12.576  987.199  475.451  1041.00  571.533  866.305  856.754   45.061   14.077   42.063   16.736 2.998081 21.86912 
1 1 1  -26    6    1 o  469.501   20.422 89744.02  7785.10   0.0000   0.0000 89744.02  7785.10  ?   ?   469.501   20.422 0.000000 20.42157 
1 1 1  -26    6    3 o  756.835   36.341 234600.91 22332.52 220430.00 31584.02 248770.00 31581.88  727.964   53.816  774.653   50.486 -46.68970 73.79010 
1 1 1  -26    6    5 o  345.576   17.219 48575.09  4831.63 49188.94  6831.13 47960.58  6834.79  346.573   24.431  342.156   24.769 4.416870 34.79089 
1 1 1  -26    6    6 o  999.805   48.035 411853.31 38995.17 379715.00 55146.75 443993.31 55148.24  948.888   72.115  1029.33   66.337 -80.44122 97.98611 
1 1 1  -26    6    7 f  1228.23   48.293 622472.31 48162.40 584398.12 83452.05 641487.31 58975.23  1165.09   88.885  1242.20   58.471 -77.11536 106.3926 
1 1 1  -26    6    8 o  533.738   25.992 116318.90 11264.16   0.0000   0.0000 116318.90 11264.16  ?   ?   533.738   25.992 0.000000 25.99156 
1 1 1  -26    6    9 o   50.127   7.8656  1045.57  309.605  2862.36  630.077  467.269  355.481   83.386   9.4741   34.464   11.142 48.92238 14.62556 
1 1 1  -26    6   10 o  703.624   27.884 203674.91 15930.72 210339.00 27617.27 200351.59 19502.44  704.208   48.597  695.422   34.538 8.785767 59.62007 
1 1 1  -26    6   11 o  518.128   17.893 109783.40  7527.80 118949.30 10630.30 100563.40 10661.62  537.670   24.350  493.014   26.733 44.65631 36.16034 
1 1 1  -26    6   12 o   92.352   6.5514  3483.93  488.081  3655.55  571.942  3024.01  936.281   94.522   7.5141   84.975   14.062 9.547485 15.94343 
1 1 1  -26    6   13 o  118.736   6.3558  5747.12  610.537  6767.61  825.347  4513.85  907.322  128.743   7.9340  104.702   10.829 24.04195 13.42453 
1 1 1  -26    6   14 o  322.099   11.532 42322.85  3016.13 42651.63  4245.96 41987.96  4285.23  322.181   16.283  319.592   16.570 2.589874 23.23209 
1 1 1  -26    6   15 o  147.700   6.9450  8875.17  832.900  8418.34  1151.14  9377.09  1206.61  143.351   9.9515  151.340   9.8733 -7.989304 14.01833 
1 1 1  -26    6   16 o  114.951   6.7426  5395.68  626.580  6244.29  861.976  4444.86  912.409  123.478   8.6520  103.736   11.000 19.74235 13.99505 
1 1 1  -26    6   17 o  106.900   6.6208  4670.76  571.859  4977.11  781.323  4317.31  839.239  110.089   8.8147  102.263   10.245 7.825676 13.51507 
1 1 1  -26    6   18 f  341.457   12.439 48044.94  3448.82 43996.53  4842.24 52213.00  4913.27  323.386   18.518  353.635   17.111 -30.24957 25.21325 
1 1 1  -26    6   19 o   72.736   7.7075  2190.01  448.258  2942.82  559.704  843.430  748.568   84.326   8.2813   46.720   16.183 37.60622 18.17885 
1 1 1  -26    6   20 o  157.248   7.7711 10158.60  992.207  9664.45  1380.86 10686.06  1426.64  152.005   11.268  159.964   11.052 -7.958572 15.78329 
1 1 1  -26    6   21 o  159.103   8.2605 10483.66  1063.48  9310.07  1423.04 11968.29  1600.54  148.326   11.916  168.352   11.783 -20.02560 16.75818 
1 1 1  -26    6   22 o   85.391   8.4790  3058.10  580.116  3086.86  728.877  3008.40  958.199   84.971   10.809   82.089   14.926 2.882011 18.42857 
1 1 1  -26    6   23 o  112.408   8.3010  5308.78  752.284  5316.26  947.474  5296.03  1237.45  111.320   10.611  108.778   14.361 2.541924 17.85603 
1 1 1  -26    6   24 o  114.530   8.7554  5591.14  808.041  4061.71  994.317  8565.52  1386.62   94.621   13.310  138.714   12.444 -44.09295 18.22073 
1 1 1  -26    6   25 o   93.559   9.9956  3877.12  747.578  4639.24  936.731  2540.20  1240.67  100.984   11.637   66.261   20.746 34.72297 23.78727 
1 1 1  -26    6   26 o   33.297   14.921  111.685  833.294   0.0000   0.0000  111.685  833.294  ?   ?    33.297   14.921 0.000000 14.92089 
1 1 1  -26    8    1 o  287.926   12.205 33687.38  2853.32 30587.35  5011.63 35174.18  3470.76  273.106   22.809  294.156   14.531 -21.04990 27.04453 
1 1 1  -26    8    2 o  651.554   31.439 173406.50 16632.57 173469.41 23611.96 173344.50 23433.06  648.067   45.154  647.917   44.818 0.1500854 63.61989 
1 1 1  -26    8    3 o  224.027   11.948 20451.38  2165.60 23430.43  3106.16 17633.70  3020.87  239.507   16.065  207.413   18.119 32.09419 24.21572 
1 1 1  -26    8    4 o  1173.97   57.061 570813.69 54391.78 529912.19 76951.80 611651.00 76891.42  1114.58   85.686  1201.98   79.229 -87.40588 116.7018 
1 1 1  -26    8    5 o  997.454   48.300 409909.59 39118.39 375649.59 55345.65 444110.50 55297.91  943.628   72.797  1029.56   66.504 -85.93536 98.60088 
1 1 1  -26    8    6 o  1445.82  104.892 916418.19 122300.40 916418.19 122300.40   0.0000   0.0000  1445.82  104.892  ?   ?  0.000000 104.8916 
1 1 1  -26    8    7 o  1122.64   45.515 520212.59 41489.43 446537.91 71918.23 556963.38 50794.04  1014.34   88.198  1157.74   54.034 -143.3969 103.4339 
1 1 1  -26    8    8 o  628.934   31.046 162235.41 15854.39   0.0000   0.0000 162235.41 15854.39  ?   ?   628.934   31.046 0.000000 31.04602 
1 1 1  -26    8    9 o  594.138   23.664 144513.91 11416.18 152683.80 19828.15 140462.70 13962.68  604.567   40.628  583.676   29.558 20.89130 50.24287 
1 1 1  -26    8   10 o  236.892   10.157 22830.62  1953.71 28091.63  3444.86 20336.08  2372.09  261.845   16.283  223.033   13.157 38.81194 20.93449 
1 1 1  -26    8   11 o  505.330   20.153 104704.20  8268.95 106244.40 14367.09 103941.30 10111.61  502.751   35.421  502.214   24.797 0.5374146 43.23812 
1 1 1  -26    8   12 o  547.426   21.984 123314.00  9771.66 120700.00 16972.87 124610.00 11950.98  532.417   39.544  548.499   26.834 -16.08221 47.78896 
1 1 1  -26    8   13 o  179.960   7.5753 13172.63  1106.91 14244.71  1549.67 12055.89  1581.63  186.715   10.261  171.584   11.418 15.13063 15.35092 
1 1 1  -26    8   14 o  206.096   8.4210 17291.50  1409.19 17244.81  1970.98 17340.32  2015.57  205.202   11.880  205.734   12.119 -0.5321655 16.97097 
1 1 1  -26    8   15 o  188.890   8.5672 14534.31  1313.98 15801.57  1834.14 13198.14  1883.34  196.348   11.555  179.139   13.037 17.20921 17.42125 
1 1 1  -26    8   16 o   77.695   6.6743  2474.85  416.965  2864.01  529.746  1841.17  675.992   83.475   7.9102   65.896   13.096 17.57903 15.29916 
1 1 1  -26    8   17 o  163.627   7.4057 10913.87  983.916 11155.31  1357.52 10646.69  1428.09  164.821   10.194  160.855   11.000 3.966705 14.99716 
1 1 1  -26    8   18 o   59.477   8.0592  1472.29  379.181  1230.33  464.699  1954.33  655.917   53.738   11.020   67.803   12.370 -14.06433 16.56666 
1 1 1  -26    8   19 o  140.176   7.6686  8075.82  869.522  9539.41  1203.42  6477.06  1257.76  151.818   9.8149  124.133   12.656 27.68480 16.01564 
1 1 1  -26    8   20 o  184.968   8.5249 14103.85  1280.34 14479.87  1777.26 13698.15  1846.04  185.771   11.844  180.234   12.696 5.537064 17.36263 
1 1 1  -26    8   21 o  144.986   8.0528  8710.64  944.279  8492.43  1283.07  8968.48  1394.73  141.807   11.235  145.404   11.918 -3.596115 16.37908 
1 1 1  -26    8   22 o   72.528   9.0172  2227.10  519.565  2326.29  645.081  2043.93  876.612   73.378   11.180   66.681   16.323 6.697182 19.78448 
1 1 1  -26    8   23 o   92.806   8.3951  3636.67  625.768  3310.89  770.273  4269.03  1073.17   87.271   11.123   97.548   13.946 -10.27688 17.83849 
1 1 1  -26    8   24 o   37.856   12.667  625.892  457.948  621.740  503.484  645.778  1101.96   38.119   13.268   44.612   18.514 -6.492218 22.77773 
1 1 1  -26    8   25 o   22.556   9.8939 -26.5766  347.532 -137.2655  378.422  569.605  878.240   21.957   9.9280   39.909   16.543 -17.95198 19.29326 
1 1 1  -26    8   26 o   42.240   17.470  927.205  976.376   0.0000   0.0000  927.205  976.376  ?   ?    42.240   17.470 0.000000 17.47034 
1 1 1  -26   10    1 o  1016.56   39.251 423351.41 32398.04 423600.41 56202.11 423227.41 39648.66  1005.16   69.285  1014.11   48.151 -8.949707 84.37352 
1 1 1  -26   10    2 o  145.281   9.6342  8611.33  1130.03  8495.71  1688.47  8705.13  1520.85  143.822   14.664  145.781   12.984 -1.959015 19.58616 
1 1 1  -26   10    3 o  581.978   28.322 138188.09 13383.40 136685.09 19024.43 139660.59 18831.02  575.850   40.955  582.297   40.072 -6.446472 57.29808 
1 1 1  -26   10    4 o  454.266   22.671 84057.91  8362.19 77579.15 11897.53 90383.04 11755.61  434.205   34.018  469.361   31.021 -35.15573 46.03845 
1 1 1  -26   10    5 o  868.987   42.224 310453.91 29792.67 294906.50 42191.69 325915.41 42074.95  838.650   62.406  883.304   59.004 -44.65387 85.88369 
1 1 1  -26   10    6 o  178.525   10.450 12995.25  1508.26 13449.17  2169.66 12570.75  2098.16  181.237   14.875  175.175   14.892 6.062042 21.04870 
1 1 1  -26   10    7 o  628.843   30.199 162098.30 15419.35 173268.41 21849.85 151017.00 21762.91  646.019   41.880  601.944   44.849 44.07507 61.36263 
1 1 1  -26   10    8 o  231.694   10.077 21825.83  1895.67 23560.37  3390.16 21036.77  2286.55  239.738   17.538  227.041   12.451 12.69682 21.50793 
1 1 1  -26   10    9 o  390.021   16.829 62090.35  5329.38 53007.07  9329.81 66489.59  6492.93  356.344   32.607  403.180   19.834 -46.83664 38.16507 
1 1 1  -26   10   10 f  370.774   15.354 56119.40  4622.42 57933.20  8104.82 55244.99  5627.39  373.693   26.891  366.871   18.956 6.821533 32.90039 
1 1 1  -26   10   11 o  195.065   9.2718 15482.93  1468.52 15086.08  2644.79 15659.82  1765.72  191.264   17.215  195.762   11.155 -4.498459 20.51273 
1 1 1  -26   10   12 o  132.612   7.8358  7177.80  839.990  5133.68  1551.77  8025.01  999.010  110.546   17.900  140.153   8.8237 -29.60751 19.95671 
1 1 1  -26   10   13 o  190.796   9.1453 14822.91  1416.80 14629.73  2536.63 14910.49  1708.06  188.170   16.778  190.912   11.066 -2.742691 20.09908 
1 1 1  -26   10   14 f  467.823   37.715 94627.41 14204.47   0.0000   0.0000 94627.41 14204.47  ?   ?   467.823   37.715 0.000000 37.71465 
1 1 1  -26   10   15 o  123.178   8.5122  6211.37  846.142  4857.21  1572.50  6763.23  1003.86  106.951   18.794  128.408   9.6997 -21.45729 21.14933 
1 1 1  -26   10   16 o  110.248   8.3201  4983.63  739.312  8693.02  1465.85  3718.15  856.185  145.092   12.567   94.658   11.367 50.43417 16.94485 
1 1 1  -26   10   17 o  101.620   9.2393  4257.24  754.023  3607.24  1323.73  4569.44  917.404   91.396   18.473  105.004   10.920 -13.60838 21.45905 
1 1 1  -26   10   18 o  318.197   11.914 41856.01  3078.26 43635.87  4352.96 40075.56  4353.68  321.723   16.721  307.747   17.495 13.97617 24.20080 
1 1 1  -26   10   19 o  135.113   7.6817  7512.82  839.255  8585.03  1137.54  6232.05  1243.26  143.875   9.7957  121.526   12.792 22.34946 16.11156 
1 1 1  -26   10   20 o  106.675   7.7684  4707.90  668.251  5831.61  879.034  3169.30  1028.59  118.358   9.2195   84.909   15.490 33.44954 18.02621 
1 1 1  -26   10   21 o  170.197   8.1829 11992.56  1130.83 12215.87  1545.05 11734.91  1659.55  169.983   11.258  165.885   12.411 4.097610 16.75635 
1 1 1  -26   10   22 o  223.912   9.8138 21100.56  1784.24 21385.08  2473.02 20791.65  2576.79  221.254   13.835  217.173   14.699 4.080627 20.18624 
1 1 1  -26   10   23 o   34.235   11.218  494.912  359.759  452.829  398.916  678.258  832.653   33.665   11.805   43.012   16.682 -9.347389 20.43628 
1 1 1  -26   10   24 o   47.571   10.814  1026.18  408.250  1288.61  445.714 -340.9488  1017.32   53.529   10.630   34.498   15.856 19.03106 19.08945 
1 1 1  -26   10   25 o   23.611   9.9399   83.491  324.481  107.126  345.384 -94.2270  947.087   24.605   10.301   33.987   15.500 -9.382267 18.61062 
1 1 1  -26   12    1 o  477.224   19.671 92698.07  7622.45 96724.15 13293.97 90726.18  9303.70  485.083   33.966  471.170   24.402 13.91257 41.82330 
1 1 1  -26   12    2 o  108.447   7.5813  4799.88  663.376  5565.09  1180.13  4446.40  802.095  116.326   12.701  104.179   9.5898 12.14664 15.91460 
1 1 1  -26   12    3 o  541.856   26.717 119822.70 11754.81 116487.00 16732.27 123073.20 16517.43  531.310   39.059  546.548   37.446 -15.23877 54.10921 
1 1 1  -26   12    4 o  629.896   32.439 162875.30 16534.58 131452.00 23490.74 193730.80 23277.57  560.597   52.207  684.654   42.076 -124.0570 67.05222 
1 1 1  -26   12    5 o  438.663   21.647 78470.46  7710.08 79809.10 11000.30 77177.83 10809.59  440.311   30.966  432.958   30.953 7.352722 43.78285 
1 1 1  -26   12    6 o  734.978   36.547 222796.30 21810.30 200105.00 30926.03 245249.70 30763.45  687.377   55.894  764.533   49.829 -77.15570 74.88061 
1 1 1  -26   12    7 o  860.599   61.827 319524.00 42915.41   0.0000   0.0000 319524.00 42915.41  ?   ?   860.599   61.827 0.000000 61.82698 
1 1 1  -26   12    8 o  413.958   17.658 69987.59  5935.29 64077.21 10430.56 72817.70  7217.76  391.864   33.091  421.711   21.079 -29.84650 39.23470 
1 1 1  -26   12    9 o  704.588   28.818 205381.70 16486.72 214063.00 28696.51 201104.41 20142.83  704.348   50.512  692.795   35.931 11.55334 61.98822 
1 1 1  -26   12   10 o  151.670   7.4467  9352.46  917.076 13648.38  1756.78  7743.28  1075.20  182.636   11.912  137.601   9.6852 45.03491 15.35232 
1 1 1  -26   12   11 o  402.550   20.512 66758.59  6682.39 64697.25  9594.94 68700.19  9312.05  392.913   30.309  405.694   28.449 -12.78058 41.56915 
1 1 1  -26   12   12 o  350.180   14.880 50153.09  4230.89 44949.61  7477.29 52603.67  5131.34  327.213   28.426  358.098   17.648 -30.88437 33.45845 
1 1 1  -26   12   13 o  235.436   10.809 22606.47  2066.39 20432.69  3734.71 23565.55  2480.71  221.493   21.018  239.827   12.785 -18.33353 24.60118 
1 1 1  -26   12   14 o  190.867   9.6261 14890.52  1487.03 13436.61  2741.10 15496.85  1770.14  179.459   19.105  194.487   11.257 -15.02805 22.17517 
1 1 1  -26   12   15 o  399.146   16.204 65621.21  5251.70 71811.95  9275.53 62700.30  6371.29  410.939   27.965  388.094   20.289 22.84473 34.54977 
1 1 1  -26   12   16 o   52.232   12.273  1164.11  511.687  1622.01  968.814  986.966  602.590   61.881   18.121   48.551   14.312 13.32945 23.09104 
1 1 1  -26   12   17 o   27.232   11.640  -9.6134  456.575 -705.0337  871.416  253.531  536.042   31.265   14.479   33.434   13.259 -2.169636 19.63221 
1 1 1  -26   12   18 o  143.981   10.063  8584.70  1168.99  7511.87  2344.00  8939.87  1348.68  129.351   23.169  146.535   11.426 -17.18375 25.83276 
1 1 1  -26   12   19 o  147.595   10.283  9071.17  1224.68  9130.72  2524.89  9052.85  1400.45  141.624   22.725  146.851   11.846 -5.227448 25.62725 
1 1 1  -26   12   20 o   77.814   13.080  2625.45  797.109  3275.70  2273.22  2534.29  851.153   81.957   28.212   75.970   14.324 5.986847 31.63966 
1 1 1  -26   12   21 o   88.253   13.102  3396.77  910.374  5226.75  2166.45  3004.33  1003.25  100.925   26.205   81.723   15.689 19.20167 30.54287 
1 1 1  -26   12   22 o   86.831   15.465  3438.57  1050.39  4595.11  2805.05  3249.94  1132.82   86.907   31.219   83.237   17.325 3.669914 35.70432 
1 1 1  -26   12   23 o  119.109   17.854  6849.54  1673.48  2571.91  3034.56  8719.02  2006.11   67.790   29.497  133.073   19.115 -65.28279 35.14899 
1 1 1  -26   12   24 o   51.020   11.045  1191.94  444.299  1153.00  466.758  1567.61  1449.79   49.839   11.729   54.302   21.717 -4.462997 24.68231 
1 1 1  -26   12   25 o   54.137   10.576  1366.96  448.217  1297.39  485.295  1770.71  1169.16   51.919   11.782   53.310   19.984 -1.390759 23.19850 
1 1 1  -26   14    1 o  396.043   20.889 64122.28  6693.66   0.0000   0.0000 64122.28  6693.66  ?   ?   396.043   20.889 0.000000 20.88920 
1 1 1  -26   14    2 o  241.717   15.342 23871.83  2995.50   0.0000   0.0000 23871.83  2995.50  ?   ?   241.717   15.342 0.000000 15.34195 
1 1 1  -26   14    3 o  755.820   53.278 240241.20 32487.24   0.0000   0.0000 240241.20 32487.24  ?   ?   755.820   53.278 0.000000 53.27770 
1 1 1  -26   14    4 o  409.783   21.347 68746.56  7078.12 61593.63 10135.38 75556.12  9889.11  385.603   32.679  428.280   28.602 -42.67706 43.42782 
1 1 1  -26   14    5 o  613.221   31.135 155219.09 15451.76 139514.59 21976.84 170572.00 21729.43  575.002   47.497  638.630   42.141 -63.62854 63.49667 
1 1 1  -26   14    6 o  628.849   44.662 166890.30 22656.17   0.0000   0.0000 166890.30 22656.17  ?   ?   628.849   44.662 0.000000 44.66171 
1 1 1  -26   14    7 o  370.453   19.193 56284.49  5753.32 53778.15  8254.50 58652.38  8023.28  359.895   28.480  376.513   26.411 -16.61795 38.84156 
1 1 1  -26   14    8 o  726.632   35.231 220503.41 20786.07 234166.41 29504.18 207039.20 29288.88  737.445   49.562  690.749   52.617 46.69598 72.28320 
1 1 1  -26   14    9 o  388.428   16.314 61669.48  5145.28 65717.14  9124.33 59782.22  6230.38  397.284   28.474  381.236   20.199 16.04764 34.91115 
1 1 1  -26   14   10 o  229.148   9.7270 21375.51  1809.81 23914.65  3334.22 20314.93  2154.88  241.098   17.144  222.922   11.949 18.17622 20.89665 
1 1 1  -26   14   11 o  186.205   9.7240 14158.00  1465.09  9995.01  2761.24 15789.23  1728.46  154.037   22.763  196.533   10.874 -42.49564 25.22654 
1 1 1  -26   14   12 o  127.244   7.8787  6613.72  810.008  6145.50  1648.81  6762.67  929.966  121.187   17.243  128.560   8.9650 -7.372871 19.43388 
1 1 1  -26   14   13 o  221.397   10.412 19994.65  1871.77 17961.68  3473.85 20826.33  2221.89  207.367   20.917  225.436   12.184 -18.06850 24.20699 
1 1 1  -26   14   14 f  228.899   11.049 21405.81  2053.55 16656.75  3809.28 23351.41  2438.18  198.252   24.164  238.520   12.634 -40.26741 27.26752 
1 1 1  -26   14   15 o  197.174   10.043 15927.69  1602.53 13989.14  3053.72 16664.46  1882.58  181.911   21.064  201.403   11.560 -19.49164 24.02781 
1 1 1  -26   14   16 o  224.851   11.372 20817.34  2069.47 16011.64  3836.74 22789.14  2457.62  191.775   25.254  234.808   12.940 -43.03355 28.37607 
1 1 1  -26   14   17 o  163.700   9.5809 11046.70  1267.93 10275.63  2425.35 11336.69  1487.36  154.095   19.845  165.407   11.139 -11.31184 22.75797 
1 1 1  -26   14   18 o  110.569   9.8316  5085.77  873.454  2638.49  2298.53  5498.81  944.291   78.332   28.247  114.893   10.229 -36.56152 30.04185 
1 1 1  -26   14   19 o  212.629   11.226 18924.19  1931.31 22653.99  3979.15 17774.78  2208.94  223.357   22.236  204.778   13.358 18.57907 25.94023 
1 1 1  -26   14   20 o   82.840   11.941  2950.54  780.011  3759.48  2464.86  2860.52  822.269   85.530   29.381   81.177   12.907 4.353287 32.09067 
1 1 1  -26   14   21 o   60.950   17.365  1725.70  901.024  4271.66  2649.88  1392.87  958.112   86.939   30.429   55.492   18.313 31.44666 35.51455 
1 1 1  -26   14   22 o   68.871   16.776  2254.28  929.438  4578.42  2965.80  2001.17  978.741   83.916   31.748   64.272   18.025 19.64420 36.50840 
1 1 1  -26   14   23 o   38.627   17.277 -20.1754  1111.78  2545.81  3053.86 -412.2253  1193.69   65.372   28.973   36.996   17.067 28.37586 33.62632 
1 1 1  -26   14   24 o   36.792   17.504 -734.3691  1431.28   0.0000   0.0000 -734.3691  1431.28  ?   ?    36.792   17.504 0.000000 17.50437 
1 1 1  -26   14   25 o   35.054   16.510 -216.8956  1213.74   0.0000   0.0000 -216.8956  1213.74  ?   ?    35.054   16.510 0.000000 16.50955 
1 1 1  -26   16    2 o  868.688   63.604 327508.81 44550.82 327508.81 44550.82   0.0000   0.0000  868.688   63.604  ?   ?  0.000000 63.60388 
1 1 1  -26   16    3 o  542.394   39.569 123220.10 17306.16 123220.10 17306.16   0.0000   0.0000  542.394   39.569  ?   ?  0.000000 39.56890 
1 1 1  -26   16    6 o  266.906   20.558 29360.26  4421.10   0.0000   0.0000 29360.26  4421.10  ?   ?   266.906   20.558 0.000000 20.55841 
1 1 1  -26   16    7 o  273.502   20.881 30858.44  4602.08   0.0000   0.0000 30858.44  4602.08  ?   ?   273.502   20.881 0.000000 20.88091 
1 1 1  -26   16    8 o  632.681   45.863 172197.00 23400.74   0.0000   0.0000 172197.00 23400.74  ?   ?   632.681   45.863 0.000000 45.86333 
1 1 1  -26   16    9 o  315.786   23.572 41355.62  6000.44   0.0000   0.0000 41355.62  6000.44  ?   ?   315.786   23.572 0.000000 23.57182 
1 1 1  -26   16   10 o  191.483   14.804 15080.17  2283.85   0.0000   0.0000 15080.17  2283.85  ?   ?   191.483   14.804 0.000000 14.80422 
1 1 1  -26   16   11 o  423.147   17.142 73490.39  5889.58 77634.55 10494.11 71584.89  7115.92  429.031   30.320  415.944   21.139 13.08713 36.96142 
1 1 1  -26   16   12 o  325.192   13.956 43292.30  3684.94 43632.54  6698.57 43144.66  4412.61  322.302   25.813  323.600   16.852 -1.297913 30.82702 
1 1 1  -26   16   13 o  154.451   9.1402  9758.91  1141.16  6955.56  2375.25 10600.16  1301.16  127.170   23.880  160.876   10.011 -33.70532 25.89341 
1 1 1  -26   16   14 o   36.389   12.172  510.578  422.866  2788.84  1303.00  242.380  447.064   80.346   20.040   31.246   12.194 49.10016 23.45853 
1 1 1  -26   16   15 o  128.727   8.9960  6804.94  934.371  5931.95  1914.82  7077.77  1070.47  117.195   20.888  131.097   10.135 -13.90207 23.21726 
1 1 1  -26   16   16 o  252.809   12.072 26395.92  2478.08 25320.39  4672.65 26816.80  2923.01  240.521   24.257  253.600   14.253 -13.07904 28.13487 
1 1 1  -26   16   17 o  274.320   12.999 31382.73  2895.44 32789.64  5551.62 30857.03  3393.53  269.391   25.692  270.091   15.540 -0.6994324 30.02576 
1 1 1  -26   16   18 o  ?   ?  -2151.3770  459.672 -2167.0239  1464.59 -2149.6680  484.136   34.836   16.862  ?   ?  0.000000 16.86242 
1 1 1  -26   16   19 o  128.435   10.624  6934.54  1098.02  5764.90  2879.46  7133.55  1187.77  104.317   31.414  129.959   11.371 -25.64133 33.40818 
1 1 1  -26   16   20 o  128.001   11.646  6993.03  1197.11  9627.83  3069.47  6520.37  1300.06  135.558   28.777  122.690   13.261 12.86817 31.68525 
1 1 1  -26   16   21 o  125.546   12.169  6842.68  1224.95  6444.43  2947.65  6925.81  1346.75  102.500   31.959  125.448   13.430 -22.94823 34.66661 
1 1 1  -26   16   22 o  110.806   12.975  5493.51  1145.30  4079.54  3061.88  5723.53  1234.95   77.142   31.310  112.452   13.816 -35.30956 34.22233 
1 1 1  -26   16   23 o   34.586   16.194 -573.1863  1138.66   0.0000   0.0000 -573.1863  1138.66  ?   ?    34.586   16.194 0.000000 16.19394 
1 1 1  -26   16   24 o   42.696   19.105  567.363  1360.91   0.0000   0.0000  567.363  1360.91  ?   ?    42.696   19.105 0.000000 19.10500 
1 1 1  -26   18    1 o  439.724   22.750 79532.09  8094.90   0.0000   0.0000 79532.09  8094.90  ?   ?   439.724   22.750 0.000000 22.75004 
1 1 1  -26   18    2 o  498.456   20.536 101756.30  8311.36 95086.95 14536.23 104995.60 10130.68  475.490   37.967  505.349   24.689 -29.85828 45.28873 
1 1 1  -26   18    3 o  734.279   28.804 222805.41 17173.38 212175.80 29843.43 228068.00 20998.52  700.512   52.857  739.835   34.955 -39.32257 63.37019 
1 1 1  -26   18    4 o  270.228   21.361 30131.66  4648.77   0.0000   0.0000 30131.66  4648.77  ?   ?   270.228   21.361 0.000000 21.36112 
1 1 1  -26   18    5 o  138.527   11.479  7868.32  1279.55  5524.85  2003.18  9483.49  1663.03  114.050   22.431  151.899   13.629 -37.84881 26.24654 
1 1 1  -26   18    6 o  118.292   17.931  5853.81  1668.24  5853.81  1668.24   0.0000   0.0000  118.292   17.931  ?   ?  0.000000 17.93077 
1 1 1  -26   18    7 o  640.696   47.677 177916.30 24625.37 177916.30 24625.37   0.0000   0.0000  640.696   47.677  ?   ?  0.000000 47.67747 
1 1 1  -26   18    8 o  247.766   21.825 25470.17  4345.80 25470.17  4345.80   0.0000   0.0000  247.766   21.825  ?   ?  0.000000 21.82469 
1 1 1  -26   18    9 o  393.212   30.480 65094.79  9655.36 65094.79  9655.36   0.0000   0.0000  393.212   30.480  ?   ?  0.000000 30.47964 
1 1 1  -26   18   10 o   89.096   9.8392  3273.67  699.923   0.0000   0.0000  3273.67  699.923  ?   ?    89.096   9.8392 0.000000 9.839185 
1 1 1  -26   18   11 o  322.554   23.323 43443.47  6067.29   0.0000   0.0000 43443.47  6067.29  ?   ?   322.554   23.323 0.000000 23.32339 
1 1 1  -26   18   12 o  315.672   23.019 41730.50  5859.44   0.0000   0.0000 41730.50  5859.44  ?   ?   315.672   23.019 0.000000 23.01894 
1 1 1  -26   18   13 o   45.980   12.791  892.157  494.970   0.0000   0.0000  892.157  494.970  ?   ?    45.980   12.791 0.000000 12.79129 
1 1 1  -26   18   14 o  285.908   21.635 34609.47  4985.24   0.0000   0.0000 34609.47  4985.24  ?   ?   285.908   21.635 0.000000 21.63459 
1 1 1  -26   18   15 o  154.926   10.680  9914.86  1335.27   0.0000   0.0000  9914.86  1335.27  ?   ?   154.926   10.680 0.000000 10.67990 
1 1 1  -26   18   16 o   19.045   9.2949 -862.3419  470.304   0.0000   0.0000 -862.3419  470.304  ?   ?    19.045   9.2949 0.000000 9.294868 
1 1 1  -26   18   17 o  300.308   16.515 38630.36  4011.63   0.0000   0.0000 38630.36  4011.63  ?   ?   300.308   16.515 0.000000 16.51538 
1 1 1  -26   18   18 o  289.873   16.282 36373.55  3816.76   0.0000   0.0000 36373.55  3816.76  ?   ?   289.873   16.282 0.000000 16.28212 
1 1 1  -26   18   19 o   49.577   16.412  1053.80  769.302   0.0000   0.0000  1053.80  769.302  ?   ?    49.577   16.412 0.000000 16.41192 
1 1 1  -26   18   20 o   55.397   16.849  1407.02  825.336   0.0000   0.0000  1407.02  825.336  ?   ?    55.397   16.849 0.000000 16.84881 
1 1 1  -26   18   21 o  111.478   13.438  5543.19  1191.80   0.0000   0.0000  5543.19  1191.80  ?   ?   111.478   13.438 0.000000 13.43760 
1 1 1  -26   18   22 o   71.056   20.953  2745.25  1291.30   0.0000   0.0000  2745.25  1291.30  ?   ?    71.056   20.953 0.000000 20.95254 
1 1 1  -26   18   23 o   42.531   18.769  479.203  1268.26   0.0000   0.0000  479.203  1268.26  ?   ?    42.531   18.769 0.000000 18.76941 
1 1 1  -26   18   24 o   84.712   23.443  5138.11  1667.14   0.0000   0.0000  5138.11  1667.14  ?   ?    84.712   23.443 0.000000 23.44292 
1 1 1  -26   20    1 o  273.692   16.282 30710.01  3602.03   0.0000   0.0000 30710.01  3602.03  ?   ?   273.692   16.282 0.000000 16.28217 
1 1 1  -26   20    2 o  467.509   24.715 90298.59  9348.39   0.0000   0.0000 90298.59  9348.39  ?   ?   467.509   24.715 0.000000 24.71464 
1 1 1  -26   20    3 o  252.215   12.725 25996.74  2597.51 26987.96  4638.30 25543.84  3135.26  255.218   22.617  249.598   15.547 5.619919 27.44523 
1 1 1  -26   20    4 f  117.762   10.518  5691.27  995.134  6474.77  1785.33  5338.12  1198.60  124.464   18.204  113.645   13.237 10.81860 22.50808 
1 1 1  -26   20    5 o  189.837   12.813 14764.50  1963.42 17032.47  3043.81 13148.33  2569.47  202.999   18.676  178.269   17.998 24.72922 25.93660 
1 1 1  -26   20    6 o  405.015   20.945 67651.97  6864.35 72238.84  9976.33 63527.98  9459.57  415.312   29.782  389.184   30.171 26.12778 42.39376 
1 1 1  -26   20    7 o  153.930   12.092  9724.59  1499.14  9111.90  2375.96 10129.84  1932.34  147.474   20.387  156.615   15.394 -9.141220 25.54650 
1 1 1  -26   20    8 o  244.322   22.691 24883.99  4450.10 24883.99  4450.10   0.0000   0.0000  244.322   22.691  ?   ?  0.000000 22.69118 
1 1 1  -26   20    9 o  371.143   19.260 56900.61  5784.19 62623.25  8468.04 51895.19  7919.62  386.195   27.178  351.028   28.019 35.16690 39.03492 
1 1 1  -26   20   10 o  340.923   18.394 48039.33  5072.93 50119.34  7489.31 46275.92  6895.81  344.800   26.965  331.761   25.802 13.03900 37.32127 
1 1 1  -26   20   11 o  196.108   10.259 15741.10  1627.85 15059.04  3543.48 15923.55  1832.69  188.523   23.671  197.039   11.505 -8.515839 26.31852 
1 1 1  -26   20   12 o  139.359   9.3534  7963.47  1052.25  7441.96  2696.85  8057.12  1142.83  130.434   26.371  140.064   10.117 -9.630219 28.24475 
1 1 1  -26   20   13 o   41.479   12.176  719.214  436.932  2874.00  1880.11  596.193  449.232   81.848   25.525   38.662   12.528 43.18531 28.43371 
1 1 1  -26   20   14 o   43.888   12.684  813.678  477.460  2051.19  1787.35  718.583  495.465   71.470   24.992   41.831   13.113 29.63977 28.22318 
1 1 1  -26   20   15 f   20.947   9.8099 -414.5914  418.224  284.123  1699.85 -459.6121  431.487   53.350   22.620   20.961   9.8632 32.38901 24.67728 
1 1 1  -26   20   16 o  102.721   9.6275  4393.69  793.624  3504.56  2444.49  4498.45  839.076   86.602   29.264  103.826   10.080 -17.22370 30.95174 
1 1 1  -26   20   17 o   33.995   14.058  173.666  632.097  3668.51  1769.30 -337.6537  676.759   87.789   24.092   29.197   13.232 58.59273 27.48639 
1 1 1  -26   20   18 o  115.690   13.929  5798.56  1282.16  3114.74  2967.27  6414.71  1421.74   80.673   31.435  121.311   14.736 -40.63844 34.71734 
1 1 1  -26   20   19 o  133.709   14.218  7841.48  1519.93  8191.56  3375.92  7752.48  1702.21  117.398   33.668  131.461   16.296 -14.06338 37.40490 
1 1 1  -26   20   20 o   48.843   19.521  839.690  1170.45  4348.53  2823.96  111.896  1286.12   83.699   31.120   43.380   19.031 40.31922 36.47801 
1 1 1  -26   20   21 o   55.549   25.364  600.086  2546.08  600.086  2546.08   0.0000   0.0000   55.549   25.364  ?   ?  0.000000 25.36419 
1 1 1  -26   20   22 f   42.842   18.866  412.670  1274.57   0.0000   0.0000  412.670  1274.57  ?   ?    42.842   18.866 0.000000 18.86591 
1 1 1  -26   20   23 o   33.672   15.652 -227.7670  1032.77   0.0000   0.0000 -227.7670  1032.77  ?   ?    33.672   15.652 0.000000 15.65169 
1 1 1  -26   22    1 o  210.357   15.027 18172.02  2549.81   0.0000   0.0000 18172.02  2549.81  ?   ?   210.357   15.027 0.000000 15.02729 
1 1 1  -26   22    2 o  561.305   28.874 131376.20 13115.06   0.0000   0.0000 131376.20 13115.06  ?   ?   561.305   28.874 0.000000 28.87397 
1 1 1  -26   22    3 o  145.167   11.579  8644.53  1353.52  8489.47  2558.22  8704.81  1595.06  141.734   23.019  145.382   13.673 -3.648315 26.77369 
1 1 1  -26   22    4 o  580.467   23.536 139222.30 11093.14 155080.41 19402.89 131521.70 13520.89  601.733   39.939  560.515   29.816 41.21808 49.84084 
1 1 1  -26   22    5 o  108.222   13.143  4851.93  1131.21  5712.31  1966.14  4426.19  1383.06  115.895   21.691  102.545   17.221 13.34936 27.69583 
1 1 1  -26   22    6 o  283.932   17.344 33207.57  3979.44 29933.53  6020.78 35747.39  5302.89  266.315   28.276  293.241   22.442 -26.92636 36.09918 
1 1 1  -26   22    7 o  225.265   23.844 21282.34  4294.96 21282.34  4294.96   0.0000   0.0000  225.265   23.844  ?   ?  0.000000 23.84408 
1 1 1  -26   22    8 o  148.261   13.037  9057.66  1553.46  8858.07  2651.75  9161.95  1916.82  144.282   23.439  148.538   16.153 -4.256195 28.46649 
1 1 1  -26   22    9 o   68.798   16.558  2024.20  913.768  3022.08  1972.60  1751.57  1031.06   84.737   26.099   64.445   18.643 20.29198 32.07386 
1 1 1  -26   22   10 o  146.559   13.480  8882.43  1586.17  6000.86  2734.09 10344.30  1947.38  116.608   28.998  157.845   15.390 -41.23679 32.82925 
1 1 1  -26   22   11 o  226.927   10.045 21054.10  1850.78 27836.06  4012.58 19221.36  2085.92  257.842   19.306  216.196   11.929 41.64540 22.69412 
1 1 1  -26   22   12 o  269.175   13.752 29997.67  2995.58 25888.18  5968.84 31381.21  3463.32  240.520   31.305  274.573   15.599 -34.05284 34.97632 
1 1 1  -26   22   13 o   14.499   7.1760 -724.7342  313.965  277.503  1918.35 -752.3192  318.257   56.559   24.008   14.477   7.1761 42.08130 25.05800 
1 1 1  -26   22   14 o   86.420   9.8097  3114.11  676.152  242.456  2500.39  3340.68  702.318   62.390   26.960   89.544   9.8208 -27.15368 28.69338 
1 1 1  -26   22   15 o  185.784   10.544 14345.67  1584.06 11840.30  3710.18 14904.17  1751.75  156.323   30.324  188.980   11.470 -32.65636 32.42131 
1 1 1  -26   22   16 o  112.660   9.5317  5293.86  863.743  6384.48  2650.96  5164.33  913.597  113.209   28.777  111.034   10.249 2.175102 30.54785 
1 1 1  -26   22   17 o   59.306   13.400  1552.44  630.063  1757.20  2350.54  1536.59  653.996   68.391   27.546   58.871   13.903 9.519211 30.85600 
1 1 1  -26   22   18 f   66.760   14.128  1993.46  741.962  2670.26  3057.08  1951.10  764.830   75.722   31.072   65.823   14.684 9.898689 34.36692 
1 1 1  -26   22   19 o   60.923   14.766  1704.35  722.844  2930.33  3307.96  1642.88  740.746   74.587   31.586   59.635   15.241 14.95139 35.07103 
1 1 1  -26   22   20 o   47.270   18.700  862.655  1063.90  1904.29  3599.99  762.975  1113.65   66.001   30.146   46.584   18.891 19.41623 35.57584 
1 1 1  -26   22   21 o   37.952   16.595  193.790  970.970 -2485.0620  3915.37  369.332  1002.28   50.684   25.131   40.023   17.180 10.66042 30.44238 
1 1 1  -26   22   22 o   30.780   14.635 -672.2468  997.424   0.0000   0.0000 -672.2468  997.424  ?   ?    30.780   14.635 0.000000 14.63495 
1 1 1  -26   24    1 o  123.071   15.286  6292.86  1494.67   0.0000   0.0000  6292.86  1494.67  ?   ?   123.071   15.286 0.000000 15.28645 
1 1 1  -26   24    2 o  908.426   47.918 363633.41 35219.60   0.0000   0.0000 363633.41 35219.60  ?   ?   908.426   47.918 0.000000 47.91764 
1 1 1  -26   24    3 o  314.504   15.476 40517.70  3952.13 42263.80  7237.48 39775.81  4717.59  316.721   28.446  310.409   18.806 6.311707 34.10094 
1 1 1  -26   24    4 f  347.502   17.034 49584.36  4806.35 45884.32  8612.49 51257.91  5792.22  327.909   32.787  351.912   20.358 -24.00330 38.59286 
1 1 1  -26   24    5 o  216.181   18.978 19398.39  3297.52 23437.52  4439.50 14427.53  4924.99  236.507   23.426  181.372   34.707 55.13466 41.87302 
1 1 1  -26   24    6 o  217.006   15.095 19404.10  2643.19 21218.84  4199.99 18214.01  3401.19  224.762   23.355  208.958   20.303 15.80391 30.94580 
1 1 1  -26   24    7 o  475.445   25.183 94893.64  9687.28 99225.03 14216.46 91139.20 13235.81  477.328   36.969  458.293   35.855 19.03500 51.50002 
1 1 1  -26   24    8 o  141.991   14.310  8360.51  1627.36  8008.24  2849.88  8530.95  1982.33  135.576   26.838  142.727   17.470 -7.151367 32.02324 
1 1 1  -26   24    9 o   52.348   17.334  1083.68  858.181  1525.48  1804.94  954.629  975.498   67.069   24.891   51.604   18.424 15.46582 30.96796 
1 1 1  -26   24   10 o  187.752   14.558 14646.21  2201.98 15060.29  3705.85 14420.22  2737.68  186.360   25.131  185.015   18.471 1.344604 31.18891 
1 1 1  -26   24   11 o   81.917   16.540  2896.53  1062.23  2488.34  2291.30  3008.28  1198.84   79.055   28.235   83.111   18.263 -4.055389 33.62718 
1 1 1  -26   24   12 o  236.799   11.065 23133.26  2127.48 26347.30  4764.35 22332.77  2377.70  244.451   24.327  231.766   12.683 12.68497 27.43427 
1 1 1  -26   24   13 o   48.390   11.244  1007.65  433.375 -4318.5190  2185.96  1225.56  442.151   39.068   19.261   53.577   10.539 -14.50860 21.95624 
1 1 1  -26   24   14 o   19.772   9.1842 -307.0094  354.644 -66.4056  2148.96 -313.7457  359.574   55.836   24.545   19.879   9.2385 35.95757 26.22577 
1 1 1  -26   24   15 o   87.927   10.118  3251.59  709.187 -175.6375  2727.25  3500.14  734.453   60.538   27.070   91.276   10.078 -30.73871 28.88504 
1 1 1  -26   24   16 o  228.548   12.245 22138.71  2263.99 24606.27  5449.02 21623.85  2489.00  217.177   31.847  224.677   13.709 -7.499908 34.67213 
1 1 1  -26   24   17 o   85.441   10.866  3124.10  736.775  1157.72  3039.53  3246.85  759.424   66.980   29.323   87.078   10.985 -20.09808 31.31307 
1 1 1  -26   24   18 o   25.273   11.576 -312.6534  535.738 -10611.5303  3552.45 -72.9741  541.937   40.025   20.350   28.115   12.343 11.91019 23.80089 
1 1 1  -26   24   19 o   34.276   14.398  203.708  678.309 -1073.7791  3251.73  261.825  693.566   54.473   26.045   35.299   14.672 19.17353 29.89350 
1 1 1  -26   24   20 o   59.922   20.993  1965.33  1261.35  390.827  4583.15  2094.36  1312.02   59.372   28.984   61.388   21.416 -2.016434 36.03782 
1 1 1  -26   24   21 o   46.535   19.587  995.388  1259.53   0.0000   0.0000  995.388  1259.53  ?   ?    46.535   19.587 0.000000 19.58665 
1 1 1  -26   26    1 o  151.697   16.299  9559.51  1976.08   0.0000   0.0000  9559.51  1976.08  ?   ?   151.697   16.299 0.000000 16.29868 
1 1 1  -26   26    2 o  154.541   16.554  9927.11  2044.85   0.0000   0.0000  9927.11  2044.85  ?   ?   154.541   16.554 0.000000 16.55354 
1 1 1  -26   26    3 o  291.221   21.017 35339.32  4936.38 39902.57  7139.97 31160.77  6832.38  306.078   29.079  268.877   31.919 37.20135 43.17841 
1 1 1  -26   26    4 o  394.090   18.984 64225.77  6074.51 71206.56 10988.02 61153.27  7289.76  405.954   33.638  381.978   23.620 23.97638 41.10259 
1 1 1  -26   26    5 o  382.750   18.054 60566.17  5610.88 63910.57 10124.99 59083.94  6740.53  384.182   32.771  375.715   22.194 8.467682 39.57915 
1 1 1  -26   26    6 o  209.138   14.269 18064.67  2408.64 18352.72  4520.88 17950.51  2846.24  206.128   27.714  207.731   17.024 -1.602676 32.52484 
1 1 1  -26   26    7 o  275.432   18.381 31684.65  4087.17 29668.29  6495.46 33006.28  5258.74  259.680   31.447  278.742   23.453 -19.06281 39.22941 
1 1 1  -26   26    8 o  205.894   15.906 17685.41  2638.48 18625.86  4505.45 17194.54  3255.02  206.026   27.629  201.375   20.179 4.650787 34.21294 
1 1 1  -26   26    9 o  283.567   18.205 33897.26  4169.40 35724.19  6654.04 32716.30  5349.88  283.054   29.380  274.710   24.233 8.343353 38.08427 
1 1 1  -26   26   10 o  177.478   15.322 13252.25  2186.41 14521.79  3881.60 12662.25  2646.12  179.317   27.540  171.709   19.314 7.607712 33.63776 
1 1 1  -26   26   11 o  160.173   15.118 10853.96  1942.89 11641.01  3566.13 10521.73  2316.95  158.183   28.827  156.072   18.653 2.111130 34.33572 
1 1 1  -26   26   12 o  141.593   10.573  8340.62  1206.75 -5098.6030  3644.75  9995.25  1278.89   53.804   26.173  155.192   10.206 -101.3881 28.09259 
1 1 1  -26   26   13 o   29.233   10.607  295.996  324.864 -4038.3081  2531.35  368.578  327.573   43.928   21.466   31.110   10.709 12.81787 23.98880 
1 1 1  -26   26   14 o   24.278   10.392  -2.7748  364.831 -3687.2771  2651.18   68.345  368.335   45.933   22.339   25.595   10.670 20.33763 24.75659 
1 1 1  -26   26   15 o   76.112   10.454  2465.57  628.992 -636.6909  3161.39  2593.43  641.824   60.935   27.987   78.117   10.376 -17.18209 29.84814 
1 1 1  -26   26   16 o   86.676   10.724  3212.21  738.616  2633.07  3019.26  3249.07  761.761   75.214   30.873   87.058   11.023 -11.84376 32.78230 
1 1 1  -26   26   17 o   28.833   12.832 -148.0617  605.075  2024.80  3382.29 -219.8995  614.996   70.142   30.814   28.317   12.743 41.82468 33.34504 
1 1 1  -26   26   18 o   71.926   22.139  2753.48  1419.63  3360.35  3438.00  2628.74  1558.73   72.981   31.575   69.584   23.369 3.397324 39.28244 
1 1 1  -26   26   19 f   31.662   15.304 -1342.0090  1195.81 -207.3410  4287.91 -1437.6980  1245.21   57.563   28.087   32.012   15.508 25.55103 32.08419 
1 1 1  -26   26   20 o   34.491   16.042 -342.8830  1087.61 -4392.8960  4442.32 -84.6373  1121.76   46.872   23.715   36.687   16.784 10.18496 29.05328 
1 1 1  -26   28    1 o  406.688   24.375 70139.52  8012.03   0.0000   0.0000 70139.52  8012.03  ?   ?   406.688   24.375 0.000000 24.37533 
1 1 1  -26   28    2 o  294.351   19.886 36322.58  4725.05   0.0000   0.0000 36322.58  4725.05  ?   ?   294.351   19.886 0.000000 19.88649 
1 1 1  -26   28    3 o  203.740   18.248 17403.81  2986.79   0.0000   0.0000 17403.81  2986.79  ?   ?   203.740   18.248 0.000000 18.24800 
1 1 1  -26   28    4 o  113.867   16.788  5491.88  1505.61  8096.29  3573.20  4929.66  1660.19  132.886   33.209  106.914   19.855 25.97170 38.69191 
1 1 1  -26   28    5 o  191.029   15.332 15220.51  2358.14 15246.65  4814.64 15212.26  2704.78  182.503   33.733  190.136   17.724 -7.633057 38.10583 
1 1 1  -26   28    6 o  172.450   17.267 12549.55  2385.35 14030.95  4391.66 11929.62  2840.95  175.005   32.088  166.375   21.535 8.629837 38.64486 
1 1 1  -26   28    7 o  211.049   15.767 18693.18  2682.40 18854.92  5203.99 18634.66  3130.29  201.653   32.919  209.394   18.605 -7.741302 37.81267 
1 1 1  -26   28    8 o  200.876   16.960 17103.54  2740.41 17515.56  4846.58 16909.90  3322.54  193.625   31.941  197.533   21.039 -3.908356 38.24768 
1 1 1  -26   28    9 o  189.909   17.480 15414.76  2665.12 11114.58  4864.30 17259.33  3185.85  146.199   39.874  199.581   19.926 -53.38179 44.57577 
1 1 1  -26   28   10 f   94.293   19.002  3945.04  1404.62  1710.88  3262.96  4453.21  1556.19   77.244   31.942   99.976   19.870 -22.73183 37.61783 
1 1 1  -26   28   11 o   51.778   18.224  1056.36  951.127  636.165  2817.14  1110.42  1010.46   66.680   28.716   53.099   18.773 13.58092 34.30805 
1 1 1  -26   28   12 o   65.222   9.4496  1795.41  485.857  4603.58  2970.93  1718.24  492.487   95.197   32.262   63.678   9.8425 31.51938 33.72952 
1 1 1  -26   28   13 o  123.205   9.5326  6341.70  946.203  4663.35  3693.28  6459.60  978.872   93.522   35.418  124.259   9.7810 -30.73740 36.74353 
1 1 1  -26   28   14 o   86.694   10.257  3187.69  708.016  8013.38  3755.35  3009.84  720.945  115.683   36.074   84.009   10.821 31.67392 37.66177 
1 1 1  -26   28   15 o  117.841   10.374  5896.52  982.501  1105.52  4377.78  6150.64  1008.22   72.216   33.081  120.346   10.421 -48.13026 34.68387 
1 1 1  -26   28   16 o   84.050   11.880  3093.61  788.187 -691.7697  4280.65  3226.45  801.898   63.323   30.167   85.899   11.810 -22.57648 32.39613 
1 1 1  -26   28   17 o   41.390   17.393  407.548  990.681 -6929.9360  4256.82  827.721  1018.65   48.248   24.259   46.444   18.322 1.804291 30.40082 
1 1 1  -26   28   18 o   25.271   12.652 -2592.3181  1099.07 -4541.7520  4392.82 -2462.1360  1135.18   49.795   24.983   26.293   13.118 23.50257 28.21751 
1 1 1  -26   28   19 o   42.582   18.661  545.787  1233.91  1143.80  5290.97  511.392  1268.90   55.816   27.918   42.582   18.784 13.23369 33.64925 
1 1 1  -26   30    1 o   58.130   22.441  1027.36  1501.36   0.0000   0.0000  1027.36  1501.36  ?   ?    58.130   22.441 0.000000 22.44074 
1 1 1  -26   30    2 o  108.427   21.994  5192.15  1870.08   0.0000   0.0000  5192.15  1870.08  ?   ?   108.427   21.994 0.000000 21.99375 
1 1 1  -26   30    3 o  115.750   21.729  5901.21  1967.19   0.0000   0.0000  5901.21  1967.19  ?   ?   115.750   21.729 0.000000 21.72882 
1 1 1  -26   30    4 o   63.624   21.494  1656.86  1318.70  3351.94  3529.41  1381.84  1421.66   91.428   34.624   61.015   22.182 30.41236 41.11971 
1 1 1  -26   30    5 o   77.441   21.027  2666.27  1356.19 -1113.6740  3898.92  3186.57  1446.52   69.867   31.702   84.504   21.136 -14.63677 38.10187 
1 1 1  -26   30    6 o   63.852   20.824  1726.88  1240.24 -3098.2339  3603.58  2375.22  1320.94   59.672   28.208   73.169   21.083 -13.49704 35.21627 
1 1 1  -26   30    7 o  135.073   17.594  7879.34  1883.86  6590.87  4512.75  8151.26  2073.14  113.463   39.710  136.658   19.214 -23.19501 44.11400 
1 1 1  -26   30    8 o  104.035   19.658  4815.91  1599.73  6688.42  4077.91  4475.33  1739.14  113.271   37.800   99.138   22.162 14.13245 43.81739 
1 1 1  -26   30    9 o   91.414   21.043  3810.52  1529.59  3542.03  4075.36  3854.55  1650.24   90.770   36.373   91.398   22.409 -0.6279755 42.72158 
1 1 1  -26   30   10 o  116.713   19.145  6089.74  1751.34 10249.17  4170.66  5199.28  1929.72  137.167   36.719  105.500   23.162 31.66701 43.41378 
1 1 1  -26   30   11 o  130.777   19.230  7692.69  1981.01 12406.88  4675.28  6661.10  2187.05  146.796   38.681  118.772   23.510 28.02357 45.26554 
1 1 1  -26   30   12 o  151.041   10.060  9567.47  1226.69  7937.81  5029.11  9670.56  1264.90  109.658   41.377  151.725   10.329 -42.06706 42.64700 
1 1 1  -26   30   13 o   91.496   9.2143  3526.56  675.231  3648.69  4295.40  3523.46  683.732   83.949   35.788   91.409   9.3434 -7.460243 36.98739 
1 1 1  -26   30   14 o  130.067   10.014  7176.01  1049.43  5119.15  4959.26  7272.43  1073.74   87.179   37.820  130.846   10.187 -43.66692 39.16825 
1 1 1  -26   30   15 o  118.265   9.8739  5977.09  939.488  4654.96  4955.43  6026.38  956.841   80.413   36.182  118.664   10.025 -38.25070 37.54517 
1 1 1  -26   30   16 o   49.306   19.712  989.180  1193.99  4631.06  5028.51  771.584  1229.14   74.373   34.559   47.335   19.592 27.03778 39.72607 
1 1 1  -26   30   17 o   28.648   14.092 -1821.3669  1148.62  1642.52  5335.30 -1989.7159  1176.20   61.335   30.211   28.468   14.053 32.86719 33.31915 
1 1 1  -26   30   18 o   52.793   22.330  1663.36  1649.98  2078.22  6230.56  1632.07  1711.07   56.306   28.440   52.571   22.504 3.734779 36.26646 
1 1 1  -26   32    1 o  283.410   22.542 35308.92  5144.47   0.0000   0.0000 35308.92  5144.47  ?   ?   283.410   22.542 0.000000 22.54198 
1 1 1  -26   32    2 o  157.063   21.729 10907.69  2696.88   0.0000   0.0000 10907.69  2696.88  ?   ?   157.063   21.729 0.000000 21.72902 
1 1 1  -26   32    3 o   87.064   25.061  3491.40  1867.37   0.0000   0.0000  3491.40  1867.37  ?   ?    87.064   25.061 0.000000 25.06122 
1 1 1  -26   32    4 o  118.607   23.433  6409.21  2176.65   0.0000   0.0000  6409.21  2176.65  ?   ?   118.607   23.433 0.000000 23.43271 
1 1 1  -26   32    5 o  149.508   19.901  9852.74  2355.90 13901.36  6238.85  9179.42  2544.27  153.146   46.267  142.579   22.741 10.56654 51.55389 
1 1 1  -26   32    6 o   86.667   23.345  3488.52  1679.66  2639.56  4539.58  3623.18  1807.97   87.817   37.085   87.974   24.437 -0.1573486 44.41271 
1 1 1  -26   32    7 o  129.929   20.658  7597.42  2106.39  5172.52  5167.02  8080.73  2306.76  100.984   40.782  133.171   22.109 -32.18629 46.38943 
1 1 1  -26   32    8 o  168.777   19.573 12701.49  2632.54 13398.94  6362.78 12557.44  2891.65  141.681   47.213  165.926   22.006 -24.24500 52.09011 
1 1 1  -26   32    9 o  150.946   20.176 10327.87  2410.98 17597.26  6576.29  9199.09  2591.41  161.731   47.169  139.704   23.691 22.02690 52.78416 
1 1 1  -26   32   10 o   90.950   23.970  4047.73  1795.07 10544.84  5904.17  3385.99  1884.27  120.437   44.955   82.636   25.517 37.80045 51.69234 
1 1 1  -26   32   11 o   77.294   24.228  2969.64  1691.46 12433.88  5272.41  1883.81  1785.86  132.279   42.926   65.376   24.660 66.90319 49.50457 
1 1 1  -26   32   12 o   87.408   24.459  3943.41  1804.25  5003.78  5646.30  3822.83  1904.08   87.612   39.079   85.294   25.513 2.317520 46.67051 
1 1 1  -26   32   13 o   51.229   11.056  1161.42  446.384 -3558.5090  5477.11  1192.98  447.873   62.240   30.647   51.965   10.960 10.27465 32.54798 
1 1 1  -26   32   14 o   54.103   20.786  1322.59  1283.63 -1280.2440  5767.52  1458.24  1316.66   64.093   31.538   55.783   21.142 8.309910 37.96906 
1 1 1  -26   32   15 o   70.752   23.173  2903.51  1535.20  5103.65  6206.79  2760.14  1584.43   71.215   34.530   68.657   23.558 2.558067 41.80044 
1 1 1  -26   32   16 o  122.680   25.772  9483.61  2485.56 10803.94  7447.40  9318.11  2636.75   70.560   34.928  117.005   28.106 -46.44543 44.83208 
1 1 1  -26   32   17 f   29.936   14.764 -1769.3220  1287.55 -3477.5239  6329.13 -1695.5760  1315.05   49.688   25.424   30.569   15.046 19.11831 29.54252 
1 1 1  -26   34    1 f  140.216   25.810  9244.13  2830.22   0.0000   0.0000  9244.13  2830.22  ?   ?   140.216   25.810 0.000000 25.81015 
1 1 1  -26   34    2 o  238.682   24.391 26167.76  4660.63   0.0000   0.0000 26167.76  4660.63  ?   ?   238.682   24.391 0.000000 24.39120 
1 1 1  -26   34    3 o  218.297   23.892 21891.03  4165.70   0.0000   0.0000 21891.03  4165.70  ?   ?   218.297   23.892 0.000000 23.89184 
1 1 1  -26   34    4 o  107.631   26.238  5612.73  2272.19   0.0000   0.0000  5612.73  2272.19  ?   ?   107.631   26.238 0.000000 26.23766 
1 1 1  -26   34    5 o  101.596   26.341  5057.17  2191.05   0.0000   0.0000  5057.17  2191.05  ?   ?   101.596   26.341 0.000000 26.34089 
1 1 1  -26   34    6 o  175.228   22.771 14262.75  3163.32 16395.64  7877.16 13852.65  3454.07  142.470   52.150  169.700   25.887 -27.23032 58.22179 
1 1 1  -26   34    7 o  147.335   22.981 10241.37  2659.48 12360.05  7017.90  9886.08  2873.83  124.734   48.415  142.188   25.844 -17.45361 54.88124 
1 1 1  -26   34    8 o  131.349   24.285  8405.72  2494.61  4882.80  7691.06  8819.92  2637.18   93.776   43.281  133.768   25.205 -39.99177 50.08547 
1 1 1  -26   34    9 o   77.666   25.237  3058.62  1822.18 -4684.6699  6721.25  3672.90  1893.08   69.336   34.104   84.512   25.476 -15.17632 42.56915 
1 1 1  -26   34   10 o  159.861   23.434 12674.69  2951.48  9505.06  8223.28 13143.38  3162.18   97.243   44.837  160.878   25.021 -63.63519 51.34556 
1 1 1  -26   34   11 o  110.978   26.485  6725.71  2353.35 17380.85  7596.81  5594.65  2475.11  118.236   48.803   97.602   29.065 20.63373 56.80187 
1 1 1  -26   34   12 o   66.414   25.288  2381.82  1889.23  9602.32  7278.38  1860.19  1956.28   87.306   40.899   61.893   25.059 25.41297 47.96547 
1 1 1  -26   34   13 o   48.552   21.425  527.921  1652.23  5971.43  7439.44  245.492  1694.56   73.327   36.030   47.061   21.168 26.26596 41.78845 
1 1 1  -26   34   14 o   47.025   20.925  573.866  1608.20 -9122.0498  7886.14  994.581  1642.72   54.195   27.778   50.205   21.773 3.990406 35.29429 
1 1 1  -26   34   15 o   67.047   25.753  3442.77  1969.94 -2919.8850  7339.47  3936.73  2044.98   53.371   27.314   70.829   26.453 -17.45784 38.02439 
1 1 1  -26   36    1 o  111.925   32.324  6837.30  3101.93   0.0000   0.0000  6837.30  3101.93  ?   ?   111.925   32.324 0.000000 32.32410 
1 1 1  -26   36    2 o  102.106   31.931  5699.98  2939.89   0.0000   0.0000  5699.98  2939.89  ?   ?   102.106   31.931 0.000000 31.93051 
1 1 1  -26   36    3 o   49.034   22.695 -1004.4390  2136.82   0.0000   0.0000 -1004.4390  2136.82  ?   ?    49.034   22.695 0.000000 22.69515 
1 1 1  -26   36    4 o  152.928   27.954 11924.00  3343.27   0.0000   0.0000 11924.00  3343.27  ?   ?   152.928   27.954 0.000000 27.95449 
1 1 1  -26   36    5 o  160.620   28.228 13330.95  3547.03   0.0000   0.0000 13330.95  3547.03  ?   ?   160.620   28.228 0.000000 28.22770 
1 1 1  -26   36    6 o  161.626   29.370 13942.09  3712.42   0.0000   0.0000 13942.09  3712.42  ?   ?   161.626   29.370 0.000000 29.37011 
1 1 1  -26   36    7 o  247.111   25.455 31092.43  5034.27 35409.70 12392.05 30239.07  5509.39  140.334   60.329  236.240   29.355 -95.90625 67.09179 
1 1 1  -26   36    8 o   51.104   22.528  311.590  1822.05 -5131.9468  9162.51  535.717  1859.18   71.593   35.942   52.948   23.063 18.64500 42.70491 
1 1 1  -26   36    9 o   97.530   29.105  5735.34  2480.10  2546.48 10093.10  5940.25  2558.54   77.395   38.689   98.695   29.587 -21.29990 48.70564 
1 1 1  -26   36   10 o   53.217   23.083  856.225  1846.85 -862.6828  9205.96  928.305  1885.18   69.434   35.009   53.971   23.366 15.46334 42.09058 
1 1 1  -26   36   11 o  124.747   29.831 10116.56  2980.81 10297.30 12029.33 10104.74  3076.76   73.324   37.297  122.496   30.928 -49.17204 48.45211 
1 1 1  -26   36   12 o   52.227   23.168  1076.47  1956.72 -17601.2500 11261.61  1657.89  1986.94   55.392   28.602   56.111   24.141 -0.7190781 37.42773 
1 1 1  -26   36   13 o   45.595   21.142  312.309  1866.78 -7736.7881 10297.03  585.852  1898.24   54.151   27.937   47.188   21.678 6.962921 35.36084 
1 1 1  -26   38    1 o  114.289   35.207  8445.35  3589.38   0.0000   0.0000  8445.35  3589.38  ?   ?   114.289   35.207 0.000000 35.20683 
1 1 1  -26   38    2 f   72.057   29.895  2542.04  2871.80   0.0000   0.0000  2542.04  2871.80  ?   ?    72.057   29.895 0.000000 29.89522 
1 1 1  -26   38    3 o  100.350   34.050  6627.17  3309.48   0.0000   0.0000  6627.17  3309.48  ?   ?   100.350   34.050 0.000000 34.04988 
1 1 1  -26   38    4 f   38.297   18.742 -2772.7771  1951.77   0.0000   0.0000 -2772.7771  1951.77  ?   ?    38.297   18.742 0.000000 18.74240 
1 1 1  -26   38    5 f   60.641   26.290  1291.54  2393.22   0.0000   0.0000  1291.54  2393.22  ?   ?    60.641   26.290 0.000000 26.29021 
1 1 1  -26   38    6 o  106.700   34.356  8136.62  3382.33   0.0000   0.0000  8136.62  3382.33  ?   ?   106.700   34.356 0.000000 34.35602 
1 1 1  -26   38    7 o   77.955   30.625  4214.33  2834.90  1494.14 13675.17  4336.48  2897.85   72.505   37.120   78.563   30.931 -6.058723 48.31784 
1 1 1  -26   38    8 o   90.724   32.675  6481.93  3074.70 17278.95 13772.93  5915.61  3154.30   76.801   39.144   85.561   32.653 -8.759773 50.97506 
1 1 1  -26   38    9 o   97.069   32.773  7713.78  3065.78 17982.38 12851.12  7094.12  3156.93   73.033   37.276   90.562   33.035 -17.52875 49.80778 
1 1 1  -26   38   10 o   66.543   27.999  3533.90  2572.27 -13797.5996 12442.84  4307.65  2629.06   56.076   29.002   71.443   29.007 -15.36729 41.01825 
1 1 1  -26   40    1 o   53.776   25.768 -769.5679  3221.00   0.0000   0.0000 -769.5679  3221.00  ?   ?    53.776   25.768 0.000000 25.76755 
1 1 1  -26   40    2 o   44.788   21.924 -2521.9861  2674.27   0.0000   0.0000 -2521.9861  2674.27  ?   ?    44.788   21.924 0.000000 21.92350 
1 1 1  -26   40    3 o   52.967   25.584 -979.2030  3326.48   0.0000   0.0000 -979.2030  3326.48  ?   ?    52.967   25.584 0.000000 25.58395 
1 1 1  -26   40    4 f   53.181   25.257 -89.8656  2954.42   0.0000   0.0000 -89.8656  2954.42  ?   ?    53.181   25.257 0.000000 25.25700 
1 1 1  -26   40    5 f   65.998   29.502  3231.01  3236.52   0.0000   0.0000  3231.01  3236.52  ?   ?    65.998   29.502 0.000000 29.50206 
1 1 1  -26   40    6 o   69.076   30.333  4287.39  3274.65   0.0000   0.0000  4287.39  3274.65  ?   ?    69.076   30.333 0.000000 30.33328 
1 1 1  -25    1    2 o  523.881   36.272 113201.40 15334.36 113201.40 15334.36   0.0000   0.0000  523.881   36.272  ?   ?  0.000000 36.27230 
1 1 1  -25    1    3 o  695.252   33.638 198064.50 18989.19 183132.00 26876.62 212948.50 26832.98  662.990   50.301  716.528   46.369 -53.53809 68.41293 
1 1 1  -25    1    4 f  635.492   24.873 164740.00 12834.48 163510.09 22277.27 165351.09 15702.31  628.492   43.930  635.922   30.410 -7.429504 53.42902 
1 1 1  -25    1    5 o  490.784   19.409 98054.84  7734.50 95367.77 13431.38 99387.98  9460.54  481.385   34.594  493.789   23.596 -12.40439 41.87457 
1 1 1  -25    1    6 o  1230.97   59.518 629923.81 59488.86 634173.81 84136.82 625675.31 84123.07  1217.41   85.662  1208.75   86.279 8.661133 121.5812 
1 1 1  -25    1    7 o  102.695   5.2905  4293.77  439.649  4129.47  615.964  4464.39  627.718  100.549   7.6008  104.581   7.4407 -4.032555 10.63658 
1 1 1  -25    1    8 o  927.066   35.975 352056.81 27079.99 340159.31 46862.80 358021.19 33180.64  900.321   64.533  932.885   43.804 -32.56366 77.99590 
1 1 1  -25    1    9 o  284.964   10.130 32996.33  2343.94 33221.88  3311.69 32769.93  3317.99  285.814   14.270  283.490   14.463 2.324829 20.31757 
1 1 1  -25    1   10 o  1038.49   34.650 444319.81 29217.52 436472.00 41314.35 452171.91 41325.28  1021.36   49.818  1040.11   48.933 -18.75092 69.82983 
1 1 1  -25    1   11 o  261.012   9.5647 27704.63  2027.08 28882.38  2861.36 26518.00  2872.12  266.299   13.233  254.746   13.938 11.55333 19.21952 
1 1 1  -25    1   12 o  536.047   21.126 117912.10  9195.26 114809.60 11248.16 124162.70 15965.59  527.420   26.266  543.315   36.401 -15.89539 44.88779 
1 1 1  -25    1   13 o  489.946   16.855 98227.80  6705.27 95402.45  9475.30 101062.00  9490.09  480.203   24.381  495.095   23.607 -14.89154 33.93736 
1 1 1  -25    1   14 o  189.784   7.7216 14651.24  1189.88 14239.24  1674.49 15071.46  1691.12  186.575   11.103  191.995   10.893 -5.419937 15.55434 
1 1 1  -25    1   15 o  604.665   20.804 150956.80 10214.18 152422.59 14440.32 149489.00 14449.76  602.518   29.517  595.725   29.969 6.793213 42.06364 
1 1 1  -25    1   16 o  206.778   8.4391 17417.33  1416.90 16929.17  1996.98 17912.21  2010.69  203.136   12.163  209.017   11.897 -5.880524 17.01400 
1 1 1  -25    1   17 o  231.071   9.1178 21782.36  1710.70 21739.68  2418.59 21825.08  2420.01  229.914   13.009  230.370   12.991 -0.4559479 18.38452 
1 1 1  -25    1   18 o  223.389   8.8234 20386.07  1600.42 20435.07  2254.97 20336.34  2271.79  222.618   12.526  222.043   12.653 0.5747375 17.80446 
1 1 1  -25    1   19 o  157.380   7.6470 10127.96  977.197  9932.13  1371.71 10329.77  1392.45  154.895   10.978  157.996   10.921 -3.100494 15.48487 
1 1 1  -25    1   20 o  191.097   8.4137 15010.94  1305.50 15447.14  1838.10 14566.91  1854.52  192.365   11.825  186.569   12.311 5.796143 17.07061 
1 1 1  -25    1   21 o  113.312   7.6668  5306.84  701.238  5861.42  993.641  4756.57  989.771  118.239   10.458  105.992   11.695 12.24717 15.68905 
1 1 1  -25    1   22 o  148.499   8.3921  9169.27  1007.74  9685.19  1412.89  8635.02  1437.76  151.035   11.610  142.015   12.599 9.019623 17.13285 
1 1 1  -25    1   23 o   97.908   8.6427  4033.74  680.023  4227.46  961.343  3839.73  962.053   98.553   12.280   93.479   13.029 5.073448 17.90407 
1 1 1  -25    1   24 o   65.103   11.180  1874.28  569.721  1761.49  784.022  2000.48  829.298   60.918   15.739   64.903   15.869 -3.985077 22.35006 
1 1 1  -25    1   25 o   97.625   9.8185  4173.34  767.734  4074.10  1048.82  4287.89  1126.85   92.807   14.384   94.497   15.202 -1.689163 20.92796 
1 1 1  -25    1   26 o   21.623   9.9965 -237.5474  412.823 -530.9100  537.176  185.661  645.196   22.377   10.668   31.752   13.708 -9.375135 17.36971 
1 1 1  -25    3    1 o  532.704   36.946 117030.40 15881.91 117030.40 15881.91   0.0000   0.0000  532.704   36.946  ?   ?  0.000000 36.94629 
1 1 1  -25    3    2 f  127.266   11.696  6638.33  1195.11  6638.33  1195.11   0.0000   0.0000  127.266   11.696  ?   ?  0.000000 11.69624 
1 1 1  -25    3    3 o  692.089   48.029 198887.59 26823.00 198887.59 26823.00   0.0000   0.0000  692.089   48.029  ?   ?  0.000000 48.02904 
1 1 1  -25    3    4 o  973.490   68.169 399745.91 53543.93 399745.91 53543.93   0.0000   0.0000  973.490   68.169  ?   ?  0.000000 68.16943 
1 1 1  -25    3    5 o  781.903   30.366 249810.30 19278.67 254074.91 33434.37 247686.09 23596.38  781.748   52.986  777.285   37.388 4.463440 64.84851 
1 1 1  -25    3    6 o  1385.95   66.690 802869.12 75049.10 846545.38 106175.80 759259.12 106095.20  1401.00   93.879  1321.69   99.593 79.30615 136.8652 
1 1 1  -25    3    7 o  986.452   38.086 398797.09 30505.53 396534.00 37354.18 403328.81 52857.80  981.282   46.882  980.478   66.793 0.8034058 81.60377 
1 1 1  -25    3    8 o  566.802   21.853 130871.40 10057.13 114819.30 17358.88 138981.91 12339.01  527.153   40.875  583.687   26.035 -56.53424 48.46224 
1 1 1  -25    3    9 o  351.975   12.578 50366.80  3594.66 50965.35  5071.99 49762.75  5095.32  353.818   17.655  349.136   18.035 4.682495 25.23811 
1 1 1  -25    3   10 o  383.331   12.848 59785.73  3998.94 53349.02  5644.82 66270.73  5665.95  361.107   19.322  403.231   17.305 -42.12369 25.93871 
1 1 1  -25    3   11 o  510.441   20.179 106607.70  8363.34 115179.80 14512.75 102345.50 10233.44  525.728   34.183  498.389   25.372 27.33853 42.57047 
1 1 1  -25    3   12 o  317.778   13.175 41172.13  3399.38 39228.84  4147.41 45150.07  5933.86  309.372   16.571  330.764   22.223 -21.39188 27.72113 
1 1 1  -25    3   13 o  121.868   6.2719  6052.25  618.512  5964.70  850.974  6150.30  900.546  120.766   8.7373  122.601   9.1115 -1.835243 12.62372 
1 1 1  -25    3   14 o  461.069   15.859 87031.13  5937.12 85472.30  8384.12 88599.09  8408.65  454.939   22.697  463.304   22.352 -8.364807 31.85550 
1 1 1  -25    3   15 o  197.604   8.2435 15895.66  1322.66 15135.79  1852.11 16686.51  1889.49  192.175   11.928  201.868   11.576 -9.693069 16.62193 
1 1 1  -25    3   16 o  241.882   9.4030 23854.13  1846.74 23406.52  2597.34 24311.77  2626.27  238.703   13.456  243.312   13.344 -4.609589 18.95073 
1 1 1  -25    3   17 o  145.781   7.0822  8653.92  838.322  8365.86  1163.81  8964.57  1208.59  142.763   10.105  147.803   10.132 -5.040283 14.30971 
1 1 1  -25    3   18 o  249.219   9.7483 25414.29  1972.65 23649.55  2771.17 27227.12  2808.69  238.916   14.352  256.689   13.524 -17.77316 19.71940 
1 1 1  -25    3   19 o  216.442   8.7941 19206.15  1545.51 18964.94  2154.70 19461.77  2218.05  213.687   12.473  216.397   12.679 -2.709900 17.78548 
1 1 1  -25    3   20 f  101.758   7.6752  4271.80  629.492  4530.89  856.520  3967.49  928.276  104.184   10.258   96.908   12.058 7.275429 15.83110 
1 1 1  -25    3   21 o  282.332   10.923 33274.20  2503.92 34202.64  3537.86 32342.36  3544.30  281.987   15.511  273.683   16.019 8.303986 22.29831 
1 1 1  -25    3   22 o  136.631   8.2676  7763.61  912.889  9115.53  1277.46  6352.75  1305.02  146.901   10.785  121.144   13.497 25.75747 17.27658 
1 1 1  -25    3   23 o   83.370   8.9745  2942.44  597.947  3403.92  750.424  2139.91  989.606   89.058   10.585   67.221   17.836 21.83719 20.74047 
1 1 1  -25    3   24 o   73.547   9.2024  2325.40  537.516  2480.93  694.971  2093.85  847.984   74.711   11.852   66.316   15.944 8.394707 19.86691 
1 1 1  -25    3   25 o   39.918   12.831  730.533  471.925  208.534  579.255  1760.96  813.849   31.796   13.328   59.050   16.393 -27.25421 21.12713 
1 1 1  -25    3   26 o   55.237   12.058  1469.92  525.618  1331.79  655.641  1718.40  879.333   50.471   14.943   55.096   17.494 -4.625114 23.00724 
1 1 1  -25    5    1 o  576.410   40.625 137187.50 18891.97   0.0000   0.0000 137187.50 18891.97  ?   ?   576.410   40.625 0.000000 40.62517 
1 1 1  -25    5    3 o  263.363   13.638 28272.15  2906.48 22060.56  4111.03 34479.82  4109.73  231.652   22.125  290.581   17.500 -58.92883 28.20957 
1 1 1  -25    5    4 o  597.180   28.779 145619.80 13954.70 142668.50 19736.94 148569.91 19732.92  587.841   41.620  600.139   40.736 -12.29773 58.23771 
1 1 1  -25    5    5 o  191.920   10.682 15011.35  1658.03 15157.70  2346.53 14865.44  2343.08  192.486   15.136  190.596   15.269 1.889481 21.49938 
1 1 1  -25    5    6 o  418.560   20.530 71317.86  6977.17 66494.45  9870.41 76135.02  9864.02  402.380   30.436  431.021   28.343 -28.64050 41.58916 
1 1 1  -25    5    7 o  661.272   26.203 178339.30 14069.00 164062.41 24398.62 185451.09 17220.22  629.114   48.129  673.649   31.482 -44.53540 57.51098 
1 1 1  -25    5    8 o  317.601   16.010 41135.34  4115.40   0.0000   0.0000 41135.34  4115.40  ?   ?   317.601   16.010 0.000000 16.00999 
1 1 1  -25    5    9 o  594.738   19.884 144176.50  9602.24 147999.30 13566.17 140338.50 13593.12  601.432   27.780  585.525   28.591 15.90723 39.86473 
1 1 1  -25    5   10 o  576.524   19.632 135719.59  9189.93 136290.50 12981.48 135146.20 13011.62  576.087   27.752  573.620   27.936 2.466980 39.37792 
1 1 1  -25    5   11 o  561.045   22.260 129123.60 10140.42 138521.91 17589.07 124444.60 12410.50  574.361   37.929  548.479   27.960 25.88147 47.12070 
1 1 1  -25    5   12 o  290.670   11.987 34426.37  2829.18 35900.39  3455.29 31427.86  4928.16  296.595   14.348  275.650   22.207 20.94455 26.43864 
1 1 1  -25    5   13 o  144.825   6.7324  8526.57  791.680  8772.60  1099.93  8262.11  1140.38  146.519   9.2936  142.105   9.9460 4.413940 13.61229 
1 1 1  -25    5   14 o  140.314   6.5588  8004.89  747.247  7437.77  1028.45  8639.08  1087.56  134.816   9.4550  145.366   9.2623 -10.55035 13.23581 
1 1 1  -25    5   15 o  422.135   14.728 72995.16  5048.24 72047.87  7121.20 73952.15  7157.51  416.933   21.104  423.010   20.839 -6.077271 29.65864 
1 1 1  -25    5   16 o  260.215   9.9301 27625.17  2098.08 28957.88  2950.59 26262.16  2983.96  265.479   13.735  252.586   14.612 12.89349 20.05383 
1 1 1  -25    5   17 o  216.358   8.6124 19092.90  1512.99 17921.66  2110.87 20330.39  2169.74  208.717   12.513  222.447   12.058 -13.73062 17.37742 
1 1 1  -25    5   18 o  303.178   11.009 37719.54  2709.99 35401.48  3803.61 40109.39  3862.06  291.521   16.132  311.096   15.289 -19.57510 22.22595 
1 1 1  -25    5   19 o   69.735   8.4272  2021.39  467.494  2001.60  599.760  2052.02  746.269   68.814   11.113   69.062   13.791 -0.2479858 17.71116 
1 1 1  -25    5   20 o   74.610   7.8977  2311.04  471.174  2485.14  608.152  2049.61  745.231   76.918   9.9722   68.698   13.838 8.219803 17.05720 
1 1 1  -25    5   21 o  104.209   7.9523  4501.87  667.796  4324.08  881.709  4741.06  1022.72  101.206   10.902  105.551   12.155 -4.345016 16.32766 
1 1 1  -25    5   22 o   33.002   12.033  389.811  418.759  119.577  505.343  982.064  748.118   30.035   12.507   48.085   16.190 -18.05069 20.45819 
1 1 1  -25    5   23 o   77.006   8.9979  2517.92  551.995  2366.43  692.766  2781.34  913.529   73.391   12.043   78.243   14.924 -4.852303 19.17717 
1 1 1  -25    5   24 o   43.003   11.734  835.278  421.129  670.701  504.035  1215.81  766.429   39.378   13.289   50.778   16.355 -11.39947 21.07280 
1 1 1  -25    5   25 o   46.634   12.152  1019.16  464.773  1296.10  546.075  291.245  885.320   52.265   12.937   37.503   16.124 14.76248 20.67238 
1 1 1  -25    5   26 o   61.403   11.090  1773.75  532.567  1660.80  633.440  2046.11  983.657   57.243   13.792   58.717   18.487 -1.473579 23.06495 
1 1 1  -25    7    1 o  981.134   68.870 404931.81 54517.82   0.0000   0.0000 404931.81 54517.82  ?   ?   981.134   68.870 0.000000 68.87036 
1 1 1  -25    7    2 o  942.179   65.772 372426.19 50000.89 372426.19 50000.89   0.0000   0.0000  942.179   65.772  ?   ?  0.000000 65.77174 
1 1 1  -25    7    3 o  586.424   28.249 140350.30 13451.09 143560.41 19046.57 137156.30 18998.95  590.236   39.978  576.675   40.839 13.56091 57.14975 
1 1 1  -25    7    4 o  546.666   26.465 121871.70 11747.01 118778.30 16624.36 124956.40 16601.21  537.030   38.378  551.094   37.320 -14.06366 53.53168 
1 1 1  -25    7    5 o  957.914   46.072 377520.59 35834.39 350511.00 50683.32 404517.69 50671.65  913.251   68.856  983.738   63.781 -70.48737 93.85760 
1 1 1  -25    7    6 o  357.252   15.936 51900.55  4622.56 30518.73  8047.98 62427.51  5646.97  270.407   37.679  391.734   17.754 -121.3266 41.65165 
1 1 1  -25    7    7 o  451.778   18.798 83072.05  6895.81 64565.03 11984.59 92231.78  8431.33  395.021   37.828  475.826   21.823 -80.80460 43.67097 
1 1 1  -25    7    8 o  550.530   26.558 123812.20 11871.78   0.0000   0.0000 123812.20 11871.78  ?   ?   550.530   26.558 0.000000 26.55810 
1 1 1  -25    7    9 o  412.252   16.696 69237.23  5588.67 72102.24  9721.22 67822.88  6830.21  418.309   28.796  407.119   20.731 11.18994 35.48233 
1 1 1  -25    7   10 o  618.791   24.267 157077.09 12192.68 187927.91 21154.52 141730.59 14920.19  670.310   39.037  584.904   31.533 85.40601 50.18135 
1 1 1  -25    7   11 o  424.764   17.053 73742.70  5881.52 85531.24 10224.89 67913.43  7190.11  454.121   27.865  406.184   21.882 47.93756 35.42937 
1 1 1  -25    7   12 o  171.094   8.3676 11906.55  1162.45 12185.36  1416.97 11332.68  2032.88  172.713   10.149  165.872   15.265 6.841766 18.33090 
1 1 1  -25    7   13 o  382.702   13.618 59802.17  4231.72 58643.93  5967.14 60974.03  6002.12  377.352   19.542  385.353   19.183 -8.000824 27.38375 
1 1 1  -25    7   14 o  132.451   6.2591  7132.49  673.141  6829.38  923.596  7475.94  983.122  129.213   8.8566  135.202   9.0070 -5.989212 12.63191 
1 1 1  -25    7   15 o  282.331   10.574 32519.17  2424.00 32571.57  3409.83 32465.63  3446.57  281.485   14.973  280.981   15.163 0.5037231 21.30961 
1 1 1  -25    7   16 o  331.800   12.112 45040.64  3263.12 45563.18  4596.04 44509.49  4633.68  332.037   17.106  328.044   17.459 3.992584 24.44216 
1 1 1  -25    7   17 o  100.097   6.6483  4097.78  537.268  4198.06  706.949  3960.68  826.638  101.060   8.7001   97.843   10.573 3.217331 13.69254 
1 1 1  -25    7   18 o   45.761   9.0885  886.806  325.788  982.715  392.421  674.097  584.407   48.039   10.365   41.934   14.308 6.104916 17.66779 
1 1 1  -25    7   19 o  230.547   9.1763 21848.03  1717.78 20868.83  2409.60 22859.93  2449.50  223.428   13.343  234.076   12.938 -10.64842 18.58587 
1 1 1  -25    7   20 o  195.673   8.5759 15772.57  1362.54 16470.64  1910.79 15050.40  1943.48  198.296   11.923  189.116   12.731 9.179565 17.44202 
1 1 1  -25    7   21 o  152.948   8.1800  9687.63  1012.18  9398.72  1392.88 10010.90  1473.40  149.179   11.590  153.833   11.888 -4.653854 16.60307 
1 1 1  -25    7   22 o   76.390   8.6328  2456.15  526.062  2078.39  651.008  3166.97  893.017   69.034   12.053   84.979   13.385 -15.94481 18.01186 
1 1 1  -25    7   23 f  108.769   8.3710  4976.09  733.624  4295.23  942.453  6023.03  1168.67   99.246   11.934  117.374   12.453 -18.12801 17.24821 
1 1 1  -25    7   24 o   46.096   11.393  962.194  423.972  808.566  478.351  1524.99  915.562   42.213   12.824   55.636   17.871 -13.42295 21.99599 
1 1 1  -25    7   25 o   47.039   12.727  1054.79  497.892  879.674  583.679  1522.65  954.048   42.951   14.299   53.437   18.281 -10.48612 23.20919 
1 1 1  -25    7   26 o   37.422   16.848  289.959  1076.27   0.0000   0.0000  289.959  1076.27  ?   ?    37.422   16.848 0.000000 16.84796 
1 1 1  -25    9    1 o  571.825   23.397 133187.70 10863.11 121163.00 18880.78 139137.91 13281.61  541.579   43.298  584.044   28.007 -42.46521 51.56644 
1 1 1  -25    9    2 o  1105.08   77.659 516152.41 69239.52 516152.41 69239.52   0.0000   0.0000  1105.08   77.659  ?   ?  0.000000 77.65851 
1 1 1  -25    9    3 o  508.154   24.950 105231.40 10294.40 101774.20 14635.73 108616.60 14482.44  497.364   36.496  514.177   34.896 -16.81305 50.49408 
1 1 1  -25    9    4 o  812.234   39.188 270383.19 25844.98 263775.81 36603.84 276952.00 36497.04  796.170   56.999  816.451   55.382 -20.28143 79.47308 
1 1 1  -25    9    5 o  1706.69  127.030 1310705.00 174774.50 1310705.00 174774.50   0.0000   0.0000  1706.69  127.030  ?   ?  0.000000 127.0300 
1 1 1  -25    9    6 f  933.806   45.293 359185.19 34342.00 334078.81 48598.91 384225.50 48535.01  890.385   67.730  957.617   62.767 -67.23108 92.34209 
1 1 1  -25    9    7 o  760.035   36.369 237170.50 22444.20 253415.41 31772.54 220990.20 31709.32  780.105   50.430  726.885   54.113 53.21936 73.96941 
1 1 1  -25    9    8 o  272.844   14.064 30371.96  3105.11   0.0000   0.0000 30371.96  3105.11  ?   ?   272.844   14.064 0.000000 14.06385 
1 1 1  -25    9    9 f  353.585   13.933 50915.03  4000.01 63479.50  7003.71 44832.69  4872.95  393.294   22.020  330.937   18.205 62.35678 28.57090 
1 1 1  -25    9   10 o  356.022   14.866 51700.89  4297.53 50563.18  7513.94 52253.97  5239.01  349.299   26.695  357.065   18.130 -7.765686 32.26946 
1 1 1  -25    9   11 o  250.420   10.890 25534.65  2214.31 25479.87  3906.05 25560.59  2687.95  248.600   19.507  250.018   13.288 -1.418442 23.60339 
1 1 1  -25    9   12 o  208.003   9.6019 17611.29  1621.68 17486.99  2857.20 17670.37  1969.69  205.965   17.243  207.892   11.716 -1.927490 20.84733 
1 1 1  -25    9   13 o  270.533   11.778 29850.14  2587.10 27508.23  4552.59 30967.12  3144.10  257.345   21.999  274.915   14.133 -17.57019 26.14736 
1 1 1  -25    9   14 o  390.292   15.981 62463.13  5064.53 65200.87  8854.36 61131.94  6174.24  393.890   27.865  384.592   19.839 9.298462 34.20592 
1 1 1  -25    9   15 o  412.313   15.485 69793.30  5184.06 72921.37  7317.21 66640.91  7345.60  418.741   21.594  399.742   22.725 18.99814 31.34889 
1 1 1  -25    9   16 o  291.958   11.285 34857.83  2675.28 35045.89  3762.70 34665.57  3804.49  291.274   15.971  289.598   16.245 1.675568 22.78063 
1 1 1  -25    9   17 o  238.074   9.5256 23171.17  1841.37 23304.17  2583.71 23033.90  2624.95  237.578   13.449  236.102   13.752 1.476700 19.23518 
1 1 1  -25    9   18 o  190.626   8.4303 14873.42  1304.86 16516.38  1818.78 13130.79  1873.14  199.944   11.249  177.649   13.078 22.29582 17.24993 
1 1 1  -25    9   19 o  149.069   7.2586  9099.92  878.583  8118.83  1210.10 10193.61  1277.66  139.701   10.751  156.840   10.086 -17.13881 14.74131 
1 1 1  -25    9   20 o   60.241   7.6474  1514.80  365.638  1810.99  438.199  835.885  663.419   65.783   8.3953   45.340   15.246 20.44304 17.40444 
1 1 1  -25    9   21 o   76.559   8.4465  2454.20  516.322  2563.44  629.507  2229.65  902.539   77.736   10.221   70.354   16.142 7.381783 19.10598 
1 1 1  -25    9   22 o   45.488   9.2900  895.075  331.523  1266.98  364.709 -874.0073  795.436   54.565   8.5093   27.549   13.090 27.01616 15.61283 
1 1 1  -25    9   23 o   94.463   8.7485  3780.91  663.404  3910.65  795.395  3484.39  1202.52   95.252   10.456   85.310   17.930 9.941856 20.75572 
1 1 1  -25    9   24 o   24.383   9.8848  131.306  304.805  366.771  317.830 -2566.1321  1075.74   30.189   10.540   25.096   12.558 5.092985 16.39511 
1 1 1  -25    9   25 o   46.907   11.296  1030.06  425.083  1079.89  468.813  799.669  1007.96   47.647   12.096   43.442   17.836 4.205452 21.55077 
1 1 1  -25   11    1 f  512.774   20.715 107023.20  8624.74 112303.00 15015.36 104423.60 10536.23  522.778   35.585  505.505   25.755 17.27325 43.92776 
1 1 1  -25   11    2 o  668.660   33.362 182758.91 18113.46 163450.70 25732.31 201722.80 25501.84  627.560   50.939  699.122   45.166 -71.56232 68.07864 
1 1 1  -25   11    3 o  619.632   30.917 156826.30 15554.86 139286.91 22095.32 174059.59 21901.73  579.752   47.351  649.882   41.726 -70.12994 63.11238 
1 1 1  -25   11    4 o  535.976   26.479 117184.00 11523.56 111005.70 16388.04 123226.60 16207.03  518.761   39.196  547.233   36.687 -28.47119 53.68658 
1 1 1  -25   11    5 o  420.007   21.353 72050.38  7258.17 64551.36 10336.46 79344.43 10194.22  395.870   32.442  439.785   28.705 -43.91574 43.31872 
1 1 1  -25   11    6 o  303.847   16.046 37673.66  3944.64 32990.57  5640.91 42155.29  5518.25  283.207   24.780  320.874   21.301 -37.66653 32.67699 
1 1 1  -25   11    7 o  248.374   18.778 25291.85  3759.02   0.0000   0.0000 25291.85  3759.02  ?   ?   248.374   18.778 0.000000 18.77806 
1 1 1  -25   11    8 o  212.008   9.7265 18275.32  1674.36 19168.97  3027.30 17881.47  2009.73  216.085   17.402  209.300   11.875 6.784912 21.06721 
1 1 1  -25   11    9 o  508.732   19.645 105901.90  8114.95 127012.40 14174.24 95608.64  9897.55  552.816   31.710  481.466   25.408 71.34940 40.63361 
1 1 1  -25   11   10 o  667.267   27.242 183980.91 14759.69 184457.20 25679.52 183745.91 18036.61  654.199   48.692  663.041   33.612 -8.841919 59.16693 
1 1 1  -25   11   11 o  364.134   19.176 54513.91  5649.58 48011.26  8108.43 60649.17  7876.06  338.621   29.794  382.338   25.517 -43.71683 39.22736 
1 1 1  -25   11   12 o  418.308   56.025 78916.08 18550.93 79329.13 26298.42 78506.99 26171.98  395.832   84.401  393.712   84.404 2.119293 119.3634 
1 1 1  -25   11   13 o  583.890   23.479 141187.70 11131.55 142392.00 19400.10 140596.59 13591.58  572.883   41.999  579.754   28.873 -6.871338 50.96601 
1 1 1  -25   11   14 o   13.397   6.6775 -761.4859  291.319  468.118  569.022 -1198.2540  339.134   38.034   14.002   12.868   6.5151 25.16612 15.44356 
1 1 1  -25   11   15 o  403.022   16.270 66835.80  5324.31 75235.48  9370.30 62830.76  6470.32  421.595   27.524  388.701   20.574 32.89383 34.36359 
1 1 1  -25   11   16 o  336.271   14.403 46524.18  3932.58 45777.59  6974.81 46872.14  4761.62  327.539   26.452  336.036   17.512 -8.497620 31.72316 
1 1 1  -25   11   17 o  217.693   10.830 19446.24  1914.36 16691.60  3488.96 20632.78  2289.83  197.311   22.161  223.456   12.673 -26.14468 25.52810 
1 1 1  -25   11   18 o  181.163   10.359 13559.96  1517.50 17255.17  3066.35 12361.40  1746.35  200.516   19.063  172.230   12.575 28.28613 22.83681 
1 1 1  -25   11   19 o  124.600   7.6488  6393.91  770.094  7241.44  1011.82  5227.02  1187.24  132.139   9.4938  110.906   13.460 21.23312 16.47106 
1 1 1  -25   11   20 o   74.981   8.3669  2347.50  500.706  2430.13  608.693  2174.60  880.544   75.829   10.140   69.869   15.881 5.959923 18.84236 
1 1 1  -25   11   21 o  181.764   8.4038 13699.16  1240.28 12758.67  1703.05 14761.31  1809.85  173.055   12.198  186.314   12.028 -13.25940 17.13072 
1 1 1  -25   11   22 o  107.391   8.4110  4838.04  727.560  5919.74  906.951  2885.27  1218.59  118.338   9.5194   77.414   19.420 40.92416 21.62742 
1 1 1  -25   11   23 o   54.848   9.4739  1308.88  406.660  1468.31  450.589  608.727  944.243   57.990   9.9265   43.303   17.453 14.68660 20.07821 
1 1 1  -25   11   24 o   91.797   9.3114  3661.03  684.430  3869.68  785.880  3005.79  1392.69   93.574   10.526   72.652   21.840 20.92214 24.24415 
1 1 1  -25   11   25 o   51.902   10.712  1252.43  436.469  1308.28  474.611  946.237  1111.24   52.632   11.433   44.812   18.594 7.820377 21.82803 
1 1 1  -25   13    1 o  427.348   17.575 74311.13  6098.25 85399.70 10655.76 68910.55  7436.46  456.348   28.907  410.634   22.388 45.71420 36.56256 
1 1 1  -25   13    2 o  472.257   19.815 90814.98  7598.03 97348.90 13205.68 87581.63  9289.68  486.462   33.639  462.728   24.816 23.73431 41.80215 
1 1 1  -25   13    3 o  319.599   16.708 41676.24  4320.80 42516.04  6226.35 40896.14  6000.94  321.974   23.988  315.802   23.573 6.172363 33.63202 
1 1 1  -25   13    4 o  265.512   15.232 28775.93  3270.15 20553.90  4724.25 36339.57  4531.16  222.717   26.654  298.106   18.816 -75.38979 32.62622 
1 1 1  -25   13    5 o  323.978   17.353 42876.71  4548.18 37180.01  6536.93 48222.08  6332.15  300.204   27.110  342.896   22.874 -42.69196 35.47109 
1 1 1  -25   13    6 o  111.709   9.1947  5106.38  826.591  4062.89  1295.85  5822.23  1073.30   98.485   16.808  119.125   11.229 -20.64019 20.21387 
1 1 1  -25   13    7 o  340.118   24.694 47696.47  6772.99   0.0000   0.0000 47696.47  6772.99  ?   ?   340.118   24.694 0.000000 24.69356 
1 1 1  -25   13    8 o  186.483   11.126 14205.04  1677.06 15307.41  2478.90 13274.67  2277.33  193.014   15.960  179.679   15.769 13.33479 22.43652 
1 1 1  -25   13    9 o  505.985   19.303 104858.60  7930.46 125563.70 13912.37 94892.52  9652.17  548.940   31.343  479.336   24.885 69.60382 40.02088 
1 1 1  -25   13   10 o  435.441   17.541 77606.42  6202.02 88522.68 10917.27 72404.66  7536.19  460.855   29.328  419.003   22.231 41.85242 36.80091 
1 1 1  -25   13   11 o  480.013   25.392 95608.43  9861.29 83037.39 14112.04 107604.70 13785.63  440.279   39.909  505.197   33.802 -64.91824 52.29998 
1 1 1  -25   13   12 o  431.521   18.396 76486.91  6445.53 64200.06 11335.24 82358.07  7835.61  387.341   36.471  446.796   21.599 -59.45419 42.38632 
1 1 1  -25   13   13 o  300.353   12.719 36864.62  3101.86 36966.61  5556.39 36818.45  3738.65  297.691   23.170  299.319   15.436 -1.628021 27.84066 
1 1 1  -25   13   14 o  119.062   7.9858  5798.41  767.551  7058.79  1590.70  5415.90  876.316  130.264   15.333  114.867   9.4803 15.39621 18.02705 
1 1 1  -25   13   15 o  182.119   9.2524 13566.74  1363.70 15919.25  2604.86 12678.54  1600.57  195.805   16.539  175.716   11.278 20.08948 20.01798 
1 1 1  -25   13   16 o  253.902   11.652 26448.20  2402.12 24979.26  4368.32 27084.92  2875.99  242.435   22.446  256.020   13.887 -13.58487 26.39435 
1 1 1  -25   13   17 f   87.568   9.9535  3187.36  695.140  4301.63  1475.68  2869.59  788.052   99.432   18.970   82.554   12.117 16.87877 22.50976 
1 1 1  -25   13   18 o  139.078   10.328  8028.13  1157.98  8200.39  2614.60  7986.10  1291.56  134.012   24.946  138.317   11.607 -4.304108 27.51448 
1 1 1  -25   13   19 o   54.254   14.875  1290.27  674.859  216.959  2101.12  1413.73  712.617   56.820   24.634   56.679   15.180 0.1409874 28.93540 
1 1 1  -25   13   20 o   24.962   11.192 -188.8506  469.586 -4172.1812  2128.00   15.048  481.454   37.887   18.740   27.991   11.958 9.896662 22.23004 
1 1 1  -25   13   21 o  116.101   12.217  5798.72  1134.41  5800.35  2911.77  5798.43  1231.73  100.743   31.818  115.462   13.387 -14.71917 34.51924 
1 1 1  -25   13   22 o   75.984   16.657  2703.18  999.325  3177.69  2469.96  2610.30  1092.76   75.455   28.871   73.677   18.339 1.778091 34.20291 
1 1 1  -25   13   23 o   66.432   22.286  2391.00  1417.62  2467.98  3233.71  2372.69  1577.26   66.814   29.704   65.665   23.429 1.148979 37.83155 
1 1 1  -25   13   24 o   66.229   22.277  2655.47  1416.48   0.0000   0.0000  2655.47  1416.48  ?   ?    66.229   22.277 0.000000 22.27716 
1 1 1  -25   13   25 o   82.014   23.646  4732.06  1661.23   0.0000   0.0000  4732.06  1661.23  ?   ?    82.014   23.646 0.000000 23.64625 
1 1 1  -25   15    1 o  415.587   30.831 71262.12 10329.63   0.0000   0.0000 71262.12 10329.63  ?   ?   415.587   30.831 0.000000 30.83127 
1 1 1  -25   15    2 o  540.610   28.332 120119.30 12393.19   0.0000   0.0000 120119.30 12393.19  ?   ?   540.610   28.332 0.000000 28.33183 
1 1 1  -25   15    3 o  353.697   26.022 51508.18  7420.81   0.0000   0.0000 51508.18  7420.81  ?   ?   353.697   26.022 0.000000 26.02209 
1 1 1  -25   15    4 o  657.767   46.647 182077.30 24751.98   0.0000   0.0000 182077.30 24751.98  ?   ?   657.767   46.647 0.000000 46.64720 
1 1 1  -25   15    5 o  205.752   12.508 17295.50  2079.72 15869.75  3080.93 18489.01  2818.85  196.115   19.611  212.286   16.483 -16.17061 25.61771 
1 1 1  -25   15    6 o  549.489   39.164 126836.40 17359.52   0.0000   0.0000 126836.40 17359.52  ?   ?   549.489   39.164 0.000000 39.16446 
1 1 1  -25   15    7 o  320.536   16.583 42075.09  4301.26 45587.62  6234.70 38884.97  5941.67  332.338   23.251  306.626   24.058 25.71185 33.45747 
1 1 1  -25   15    8 o  421.583   20.976 72921.13  7180.38 76740.10 10288.50 69294.74 10025.76  429.270   29.700  407.526   30.520 21.74411 42.58640 
1 1 1  -25   15    9 o  323.000   14.019 42577.90  3676.81 44246.05  6609.54 41830.34  4424.62  326.474   25.127  319.294   17.129 7.179565 30.40972 
1 1 1  -25   15   10 o  168.821   8.7299 11627.99  1192.58 20621.57  1966.63  6397.32  1499.81  224.985   10.765  124.195   15.189 100.7905 18.61751 
1 1 1  -25   15   11 o  142.607   8.7366  8308.72  1006.75  4763.73  2016.05  9486.41  1162.01  105.248   24.109  152.339   9.4407 -47.09083 25.89151 
1 1 1  -25   15   12 o  187.082   8.8636 14253.29  1346.42 16238.45  2613.18 13535.80  1571.01  198.295   16.377  181.876   10.685 16.41928 19.55406 
1 1 1  -25   15   13 o  213.226   9.4135 18533.07  1629.78 24259.82  3112.56 16369.88  1912.99  242.548   15.892  199.817   11.844 42.73108 19.82020 
1 1 1  -25   15   14 o  205.317   10.016 17208.09  1669.84 16607.61  3200.79 17432.64  1957.31  199.135   20.069  206.115   11.744 -6.979874 23.25285 
1 1 1  -25   15   15 o  264.820   11.819 28751.79  2541.46 29069.65  4720.89 28622.07  3015.77  262.141   22.394  263.301   14.158 -1.160431 26.49449 
1 1 1  -25   15   16 o  150.675   9.3731  9333.10  1141.06  7088.46  2254.10 10106.47  1323.10  127.273   22.642  156.581   10.467 -29.30808 24.94432 
1 1 1  -25   15   17 o  161.962   9.8501 10834.37  1289.22 13599.35  2820.98 10104.43  1449.44  177.159   19.959  155.895   11.532 21.26393 23.05094 
1 1 1  -25   15   18 o   88.973   11.192  3336.32  790.653 -1672.0050  2148.82  4120.54  850.305   47.532   22.253   99.147   10.734 -51.61433 24.70612 
1 1 1  -25   15   19 o  103.115   11.141  4489.60  917.945  8648.53  2443.10  3805.97  990.522  136.605   22.832   94.057   13.344 42.54800 26.44542 
1 1 1  -25   15   20 o   23.572   11.449 -1119.8810  690.174 -2356.0420  2153.30 -978.3468  728.614   43.570   20.928   25.400   12.193 18.16968 24.22071 
1 1 1  -25   15   21 o   91.426   15.031  3753.87  1077.03  3130.68  2813.66  3860.86  1165.82   76.961   30.422   92.072   16.185 -15.11115 34.45941 
1 1 1  -25   15   22 o  145.571   12.137  9278.21  1421.50  8054.09  3672.92  9493.87  1541.64  103.908   35.855  146.392   13.108 -42.48415 38.17607 
1 1 1  -25   15   23 o   75.503   22.897  3283.80  1525.89  792.817  3434.20  3896.55  1703.26   58.206   27.522   81.078   24.103 -22.87197 36.58439 
1 1 1  -25   15   24 o   60.387   22.532  2376.34  1482.89   0.0000   0.0000  2376.34  1482.89  ?   ?    60.387   22.532 0.000000 22.53171 
1 1 1  -25   17    1 o  474.412   24.355 92569.24  9350.17   0.0000   0.0000 92569.24  9350.17  ?   ?   474.412   24.355 0.000000 24.35522 
1 1 1  -25   17    2 o  119.660   12.665  5894.88  1211.81  3586.36  1658.61  8538.13  1774.79   91.759   22.446  143.893   15.431 -52.13319 27.23911 
1 1 1  -25   17    3 o  851.771   42.245 304665.81 29217.38 283208.50 41246.71 326275.41 41392.91  802.389   63.837  866.100   59.215 -63.71094 87.07220 
1 1 1  -25   17    4 o  471.132   35.059 92852.72 13315.68 92852.72 13315.68   0.0000   0.0000  471.132   35.059  ?   ?  0.000000 35.05929 
1 1 1  -25   17    7 o  410.128   29.863 70165.94  9876.34   0.0000   0.0000 70165.94  9876.34  ?   ?   410.128   29.863 0.000000 29.86283 
1 1 1  -25   17    8 o  390.483   28.534 63607.95  8984.47   0.0000   0.0000 63607.95  8984.47  ?   ?   390.483   28.534 0.000000 28.53445 
1 1 1  -25   17    9 o  136.690   14.236  7713.73  1556.89   0.0000   0.0000  7713.73  1556.89  ?   ?   136.690   14.236 0.000000 14.23645 
1 1 1  -25   17   10 o  283.207   14.132 32787.52  3249.77   0.0000   0.0000 32787.52  3249.77  ?   ?   283.207   14.132 0.000000 14.13218 
1 1 1  -25   17   11 o  265.700   14.071 28963.49  3024.89   0.0000   0.0000 28963.49  3024.89  ?   ?   265.700   14.071 0.000000 14.07115 
1 1 1  -25   17   12 o   79.798   8.0217  2618.69  512.714  2899.84  1478.76  2580.27  546.622   82.180   21.802   79.122   8.6494 3.058914 23.45511 
1 1 1  -25   17   13 o  263.480   11.891 28396.93  2544.02 27860.49  4806.82 28605.65  2998.38  257.316   23.258  263.693   14.055 -6.377472 27.17476 
1 1 1  -25   17   14 o  129.365   8.6438  6858.50  902.716  6136.08  2124.66  7017.65  997.198  119.052   22.810  130.745   9.4571 -11.69346 24.69251 
1 1 1  -25   17   15 o  238.075   12.086 23381.83  2328.60 15714.61  4471.21 26235.39  2727.72  186.999   30.499  251.772   13.391 -64.77382 33.30925 
1 1 1  -25   17   16 o  187.866   9.9313 14552.50  1509.54 17148.61  3139.70 13771.96  1721.58  199.742   19.612  182.199   11.699 17.54208 22.83614 
1 1 1  -25   17   17 o  171.978   10.188 12262.74  1416.35 12286.50  3074.63 12256.34  1595.75  165.034   23.618  171.436   11.531 -6.401886 26.28259 
1 1 1  -25   17   18 o  114.911   9.9568  5514.23  919.834  5028.40  2380.22  5599.53  997.315  101.100   28.023  115.540   10.754 -14.43939 30.01585 
1 1 1  -25   17   19 o   43.643   14.617  785.729  609.803  1121.78  2425.97  763.064  630.032   64.475   27.163   43.400   14.856 21.07539 30.96001 
1 1 1  -25   17   20 o   35.768   15.126  142.807  756.980 -534.0087  2154.31  238.143  808.538   50.899   23.276   37.859   15.798 13.03997 28.13070 
1 1 1  -25   17   21 o   38.472   16.484  164.399  919.539 -3220.0349  2946.16  529.680  967.891   47.594   23.235   43.175   17.573 4.418739 29.13243 
1 1 1  -25   17   22 o  130.290   18.134  8266.67  1866.37  6268.94  4065.09  8800.25  2100.89   84.209   35.302  131.889   20.267 -47.67982 40.70608 
1 1 1  -25   17   23 o   50.932   21.792  1165.89  1603.06   0.0000   0.0000  1165.89  1603.06  ?   ?    50.932   21.792 0.000000 21.79152 
1 1 1  -25   17   24 o   45.923   19.911  1063.67  1373.10   0.0000   0.0000  1063.67  1373.10  ?   ?    45.923   19.911 0.000000 19.91144 
1 1 1  -25   19    1 o  856.829   43.214 310778.41 29967.68   0.0000   0.0000 310778.41 29967.68  ?   ?   856.829   43.214 0.000000 43.21378 
1 1 1  -25   19    2 o  656.645   26.766 177827.50 14270.96 159721.20 24883.39 186702.00 17420.68  608.316   50.844  670.591   31.994 -62.27429 60.07296 
1 1 1  -25   19    3 o  273.630   16.317 30689.27  3608.86   0.0000   0.0000 30689.27  3608.86  ?   ?   273.630   16.317 0.000000 16.31728 
1 1 1  -25   19    4 o  291.223   16.789 34777.00  3953.15 32112.44  5795.23 37095.84  5406.22  277.849   25.989  299.682   22.379 -21.83215 34.29679 
1 1 1  -25   19    5 o  577.614   29.664 138810.70 13865.66 133037.59 19835.77 144327.00 19389.84  557.321   44.196  582.525   41.261 -25.20410 60.46282 
1 1 1  -25   19    6 o  435.831   22.455 78371.05  7919.40 79868.20 11421.42 76984.78 10990.44  436.228   32.478  428.523   31.814 7.705139 45.46355 
1 1 1  -25   19    7 o  338.763   27.127 47885.75  7399.17 47885.75  7399.17   0.0000   0.0000  338.763   27.127  ?   ?  0.000000 27.12732 
1 1 1  -25   19    8 o  494.785   37.430 104412.30 14926.17 104412.30 14926.17   0.0000   0.0000  494.785   37.430  ?   ?  0.000000 37.42986 
1 1 1  -25   19    9 o  131.319   19.706  7249.42  2036.31  7249.42  2036.31   0.0000   0.0000  131.319   19.706  ?   ?  0.000000 19.70580 
1 1 1  -25   19   10 o  401.424   19.567 66438.01  6377.75 72301.79  9468.01 61567.15  8629.23  414.447   28.305  382.462   27.981 31.98462 39.80085 
1 1 1  -25   19   11 o  174.692   11.670 12521.88  1645.81 11770.32  2970.59 12854.75  1976.97  166.941   22.487  176.624   13.897 -9.682846 26.43499 
1 1 1  -25   19   12 o   19.116   8.7170 -196.9315  299.471   0.0000   0.0000 -196.9315  299.471  ?   ?    19.116   8.7170 0.000000 8.716962 
1 1 1  -25   19   13 o   78.341   10.941  2559.35  676.999   0.0000   0.0000  2559.35  676.999  ?   ?    78.341   10.941 0.000000 10.94146 
1 1 1  -25   19   14 o   22.503   10.583 -528.2627  495.347   0.0000   0.0000 -528.2627  495.347  ?   ?    22.503   10.583 0.000000 10.58253 
1 1 1  -25   19   15 o  123.895   13.305  6439.35  1317.49   0.0000   0.0000  6439.35  1317.49  ?   ?   123.895   13.305 0.000000 13.30490 
1 1 1  -25   19   16 o   69.636   15.316  2118.43  842.444   0.0000   0.0000  2118.43  842.444  ?   ?    69.636   15.316 0.000000 15.31585 
1 1 1  -25   19   17 o   79.850   15.881  2805.42  993.404   0.0000   0.0000  2805.42  993.404  ?   ?    79.850   15.881 0.000000 15.88097 
1 1 1  -25   19   18 o   99.343   15.763  4342.96  1229.03   0.0000   0.0000  4342.96  1229.03  ?   ?    99.343   15.763 0.000000 15.76300 
1 1 1  -25   19   19 o   59.779   20.442  1601.07  1192.94   0.0000   0.0000  1601.07  1192.94  ?   ?    59.779   20.442 0.000000 20.44225 
1 1 1  -25   19   20 o   88.266   19.672  3753.92  1373.87   0.0000   0.0000  3753.92  1373.87  ?   ?    88.266   19.672 0.000000 19.67223 
1 1 1  -25   19   21 o   38.916   17.373 -85.2328  1118.34   0.0000   0.0000 -85.2328  1118.34  ?   ?    38.916   17.373 0.000000 17.37293 
1 1 1  -25   21    1 o  663.503   33.697 184375.41 18094.21   0.0000   0.0000 184375.41 18094.21  ?   ?   663.503   33.697 0.000000 33.69662 
1 1 1  -25   21    2 o  148.470   11.285  9030.58  1350.21  9161.87  2537.23  8978.71  1594.78  147.777   21.800  147.762   13.439 0.1496887E-01 25.60957 
1 1 1  -25   21    3 o  709.523   29.069 209088.80 16746.90 203861.80 29186.89 211654.20 20447.78  681.246   53.187  709.966   35.471 -28.71991 63.92952 
1 1 1  -25   21    4 o  176.411   11.173 12729.96  1592.12 18225.87  2913.53 10390.07  1901.07  210.307   17.213  158.785   14.920 51.52182 22.77913 
1 1 1  -25   21    5 o  285.702   16.720 33530.62  3861.74 33309.02  5752.34 33712.43  5210.43  282.632   25.335  285.087   22.697 -2.454193 34.01492 
1 1 1  -25   21    6 o  295.231   17.153 35841.75  4094.23 34590.59  6101.12 36866.77  5522.29  287.515   26.430  297.948   23.005 -10.43307 35.03963 
1 1 1  -25   21    7 o  127.096   20.959  6826.90  2087.53  6826.90  2087.53   0.0000   0.0000  127.096   20.959  ?   ?  0.000000 20.95912 
1 1 1  -25   21    8 o  572.745   28.584 137399.41 13293.09 146086.09 19085.44 129214.70 18525.60  580.288   40.765  544.325   42.247 35.96326 58.70724 
1 1 1  -25   21    9 o  221.200   14.420 20125.20  2575.73 19342.74  3985.55 20686.39  3375.29  214.626   23.241  223.282   18.792 -8.656128 29.88816 
1 1 1  -25   21   10 o  448.556   23.149 84021.47  8402.42 88814.04 12218.21 79721.25 11573.60  454.552   33.337  430.522   33.369 24.02914 47.16808 
1 1 1  -25   21   11 f  209.929   10.733 18056.77  1823.44 17811.87  3854.01 18127.41  2069.76  204.982   23.586  210.064   12.187 -5.083054 26.54830 
1 1 1  -25   21   12 o  289.423   10.528 34280.46  2474.03 51830.65  5053.27 28747.44  2837.35  353.359   17.612  264.434   13.215 88.92511 22.01874 
1 1 1  -25   21   13 o  134.637   9.2276  7454.12  1002.68  4223.24  2790.58  7933.08  1074.44   97.464   31.188  138.846   9.5891 -41.38240 32.62875 
1 1 1  -25   21   14 o  244.128   11.887 24636.61  2356.33 26110.18  4836.68 24178.03  2698.18  243.151   24.847  240.704   13.864 2.447296 28.45337 
1 1 1  -25   21   15 o   67.859   11.154  1954.31  593.243 -604.0033  2252.35  2145.01  614.957   54.459   24.458   71.206   10.990 -16.74770 26.81389 
1 1 1  -25   21   16 o   83.676   10.325  2944.14  686.598  3570.76  2510.07  2893.47  713.822   86.770   29.653   82.784   10.883 3.985733 31.58681 
1 1 1  -25   21   17 o  227.650   12.280 21876.93  2261.47 18782.39  4975.88 22682.54  2538.83  189.575   33.554  230.818   13.607 -41.24280 36.20760 
1 1 1  -25   21   18 o   73.223   14.648  2386.27  840.490  3487.40  2852.70  2281.59  879.531   82.519   31.157   71.172   15.646 11.34692 34.86481 
1 1 1  -25   21   19 o  118.341   11.142  5996.53  1058.01  7170.94  3458.05  5875.24  1111.30  106.272   34.777  116.714   11.893 -10.44194 36.75453 
1 1 1  -25   21   20 o   46.066   15.759  934.762  708.932  170.594  3211.52  973.907  726.863   59.588   27.665   46.849   15.957 12.73874 31.93753 
1 1 1  -25   21   21 o   32.063   14.611 -276.8593  839.413 -5582.8911  3430.30   61.107  865.734   43.860   22.015   35.576   15.610 8.284492 26.98788 
1 1 1  -25   21   22 o  114.620   22.400  7675.63  2009.94   0.0000   0.0000  7675.63  2009.94  ?   ?   114.620   22.400 0.000000 22.39959 
1 1 1  -25   21   23 o   42.186   19.091  633.481  1402.69   0.0000   0.0000  633.481  1402.69  ?   ?    42.186   19.091 0.000000 19.09077 
1 1 1  -25   23    1 o  552.013   28.924 127273.10 12919.29   0.0000   0.0000 127273.10 12919.29  ?   ?   552.013   28.924 0.000000 28.92444 
1 1 1  -25   23    2 o  895.464   46.614 348962.41 33775.29   0.0000   0.0000 348962.41 33775.29  ?   ?   895.464   46.614 0.000000 46.61396 
1 1 1  -25   23    3 o  476.311   20.472 93388.69  7917.39 103479.90 14001.77 88645.54  9599.42  493.734   35.156  461.564   25.716 32.17001 43.55738 
1 1 1  -25   23    4 o  665.315   26.167 183988.30 14135.70 201460.80 24712.25 175491.09 17233.49  679.678   45.034  644.587   33.038 35.09100 55.85300 
1 1 1  -25   23    5 o  289.303   14.188 34231.56  3332.84 38922.12  5888.61 32020.85  4042.65  305.545   23.927  278.630   17.965 26.91495 29.92018 
1 1 1  -25   23    6 o  438.552   35.503 82419.73 12533.63 82419.73 12533.63   0.0000   0.0000  438.552   35.503  ?   ?  0.000000 35.50260 
1 1 1  -25   23    7 o  259.616   15.717 27751.12  3297.42 33118.26  5146.99 24014.72  4294.46  281.667   22.698  239.694   22.322 41.97336 31.83484 
1 1 1  -25   23    8 o  204.759   14.304 17267.97  2363.25 18559.26  3786.53 16444.05  3024.64  210.173   22.540  198.706   18.977 11.46732 29.46536 
1 1 1  -25   23    9 o  159.874   13.611 10554.91  1750.06 10462.66  2904.26 10607.51  2192.90  156.604   23.570  159.480   17.207 -2.876190 29.18309 
1 1 1  -25   23   10 o  122.579   13.774  6250.21  1347.20  6870.18  2492.62  5994.38  1601.22  125.444   25.344  119.260   17.018 6.183777 30.52787 
1 1 1  -25   23   11 o  419.605   19.518 73736.27  6649.84 66191.59 12294.53 76856.18  7906.12  377.338   40.776  425.355   22.977 -48.01727 46.80385 
1 1 1  -25   23   12 f   30.105   10.786  316.674  334.577 -1150.5320  1860.89  365.687  340.120   46.899   21.515   31.432   10.907 15.46653 24.12176 
1 1 1  -25   23   13 o  283.046   13.186 33299.42  3030.41 32223.07  6170.22 33641.58  3478.90  265.745   29.070  283.056   15.192 -17.31036 32.80003 
1 1 1  -25   23   14 o  105.232   9.0990  4590.61  769.813  6159.60  2614.73  4441.70  805.515  113.681   28.407  103.349   9.7130 10.33170 30.02188 
1 1 1  -25   23   15 o  179.323   10.719 13403.16  1553.59 10173.93  4050.25 13960.25  1682.27  138.868   35.718  182.719   11.396 -43.85051 37.49148 
1 1 1  -25   23   16 o  129.873   9.9055  7049.80  1036.69  6553.50  3474.28  7098.31  1086.17  109.209   34.784  130.147   10.364 -20.93820 36.29507 
1 1 1  -25   23   17 o   53.009   13.920  1249.65  606.835  1181.72  2541.93  1253.75  624.903   65.049   27.626   53.062   14.217 11.98671 31.06932 
1 1 1  -25   23   18 o   51.363   15.984  1184.82  737.745 -1891.9160  3320.08  1344.62  756.662   55.791   26.576   54.335   16.044 1.456352 31.04309 
1 1 1  -25   23   19 o   39.692   15.273  552.442  693.668  2526.60  2956.82  437.463  713.583   70.392   29.839   38.287   15.261 32.10501 33.51575 
1 1 1  -25   23   20 o   44.797   19.217  482.793  1252.63  449.228  3944.05  486.559  1321.03   60.507   28.862   45.530   19.636 14.97769 34.90788 
1 1 1  -25   23   21 o   30.910   14.601 -665.7786  962.319  352.696  3481.44 -750.0325  1001.33   54.047   26.122   31.071   14.741 22.97630 29.99417 
1 1 1  -25   23   22 o   35.693   16.918 -451.4914  1312.87   0.0000   0.0000 -451.4914  1312.87  ?   ?    35.693   16.918 0.000000 16.91809 
1 1 1  -25   25    1 o  394.383   22.341 64559.43  7124.83   0.0000   0.0000 64559.43  7124.83  ?   ?   394.383   22.341 0.000000 22.34118 
1 1 1  -25   25    2 o  212.091   15.974 18547.96  2730.65   0.0000   0.0000 18547.96  2730.65  ?   ?   212.091   15.974 0.000000 15.97369 
1 1 1  -25   25    3 o  480.516   21.287 95484.37  8305.48 97308.74 14832.78 94651.11 10024.32  473.778   38.901  475.606   26.057 -1.827728 46.82151 
1 1 1  -25   25    4 o  226.630   18.554 21296.14  3384.28 23804.36  4747.71 18705.13  4825.43  237.768   24.965  209.036   29.229 28.73138 38.43941 
1 1 1  -25   25    5 o  132.064   13.917  7220.96  1469.91  7741.18  3060.60  7064.99  1675.83  133.098   29.129  130.163   16.207 2.935059 33.33440 
1 1 1  -25   25    6 o  451.675   24.053 85466.73  8789.48 93097.59 12972.86 78991.30 11950.41  463.891   34.693  427.082   34.763 36.80957 49.11260 
1 1 1  -25   25    7 o  326.406   19.528 44338.20  5151.90 43711.10  7836.91 44815.47  6836.82  318.481   30.685  325.075   26.123 -6.594086 40.29861 
1 1 1  -25   25    8 o  395.739   21.978 65795.42  7034.34 70022.02 10573.06 62438.84  9422.21  400.209   32.826  379.374   30.855 20.83569 45.05078 
1 1 1  -25   25    9 o  141.169   14.788  8318.02  1669.96  7543.34  3193.02  8609.70  1959.28  129.074   30.881  142.972   17.224 -13.89780 35.35941 
1 1 1  -25   25   10 o  330.993   21.127 46628.02  5648.25 37437.64  8572.71 53677.98  7508.36  282.080   38.429  350.630   26.570 -68.54996 46.72023 
1 1 1  -25   25   11 o  481.958   27.646 103453.80 10773.68 101534.40 15839.34 105106.30 14697.25  448.431   44.071  465.650   39.238 -17.21884 59.00704 
1 1 1  -25   25   12 o  157.635   10.027 10279.19  1276.73  9831.03  3529.64 10346.66  1369.46  143.471   31.189  157.937   10.743 -14.46657 32.98706 
1 1 1  -25   25   13 o  198.419   11.217 16388.48  1799.74 12873.35  4414.94 17089.03  1970.94  159.575   35.034  202.243   12.057 -42.66803 37.05051 
1 1 1  -25   25   14 o  179.441   10.565 13422.20  1532.50 11328.53  4103.30 13761.58  1652.05  147.140   34.877  181.378   11.273 -34.23807 36.65372 
1 1 1  -25   25   15 o   80.660   10.240  2750.13  655.554  4288.77  2919.04  2668.41  672.738   91.241   31.937   79.283   10.726 11.95740 33.68977 
1 1 1  -25   25   16 o   84.079   10.880  3015.57  725.326  173.388  3150.10  3174.69  745.354   63.923   28.797   86.300   10.879 -22.37748 30.78328 
1 1 1  -25   25   17 o  163.004   11.353 11344.06  1493.21  6827.75  4596.98 11876.78  1578.83   98.091   38.850  166.513   11.753 -68.42202 40.58909 
1 1 1  -25   25   18 f   25.246   11.498 -262.9702  519.030 -9768.9219  3220.20  -9.4293  525.906   37.936   19.296   28.416   12.322 9.519634 22.89469 
1 1 1  -25   25   19 o   89.397   22.733  4361.03  1653.87 -284.7955  4834.95  4976.67  1760.04   61.741   30.059   95.525   22.973 -33.78404 37.83288 
1 1 1  -25   25   20 o  110.817   22.749  7045.10  1978.35  7882.67  4882.69  6880.59  2163.93   76.234   34.928  104.791   25.641 -28.55724 43.32928 
1 1 1  -25   25   21 o   26.880   13.235 -1525.6780  1021.27   0.0000   0.0000 -1525.6780  1021.27  ?   ?    26.880   13.235 0.000000 13.23544 
1 1 1  -25   27    1 o   96.094   27.358  4001.87  2237.16   0.0000   0.0000  4001.87  2237.16  ?   ?    96.094   27.358 0.000000 27.35791 
1 1 1  -25   27    2 o  289.379   19.308 34831.15  4510.59   0.0000   0.0000 34831.15  4510.59  ?   ?   289.379   19.308 0.000000 19.30762 
1 1 1  -25   27    3 o  224.429   17.837 20944.03  3223.59   0.0000   0.0000 20944.03  3223.59  ?   ?   224.429   17.837 0.000000 17.83696 
1 1 1  -25   27    4 o  309.768   16.880 39749.48  4229.63 40478.46  7910.41 39457.63  5005.20  304.658   32.478  307.325   20.170 -2.666534 38.23180 
1 1 1  -25   27    5 o  285.773   16.702 33890.96  3858.74 38157.59  7212.03 32179.67  4567.49  296.153   30.424  276.940   20.457 19.21207 36.66225 
1 1 1  -25   27    6 o  277.416   16.042 31963.83  3598.17 36290.72  6639.04 30164.31  4281.50  288.806   28.691  267.883   19.825 20.92352 34.87406 
1 1 1  -25   27    7 o  139.476   15.909  8173.31  1769.41  8126.92  3285.19  8192.26  2100.03  133.539   30.909  138.613   19.172 -5.074173 36.37230 
1 1 1  -25   27    8 f  130.516   15.915  7194.97  1651.70 11028.90  3348.38  5962.06  1898.80  157.057   27.244  117.050   20.738 40.00671 34.23904 
1 1 1  -25   27    9 o  109.962   16.681  5178.82  1442.61  5397.78  3070.06  5116.78  1634.28  107.171   32.474  108.396   19.275 -1.225510 37.76300 
1 1 1  -25   27   10 o  187.806   16.075 14946.73  2427.67 16943.54  4394.47 14069.66  2912.44  191.516   29.182  179.980   20.283 11.53621 35.53826 
1 1 1  -25   27   11 o  244.785   17.851 25726.22  3523.62 25123.97  5903.33 26059.54  4391.77  228.102   32.818  242.526   22.561 -14.42476 39.82499 
1 1 1  -25   27   12 o  127.354   9.3798  6730.61  963.112  2694.33  3318.39  7101.88  1006.43   82.740   32.933  130.788   9.5430 -48.04778 34.28764 
1 1 1  -25   27   13 o   88.960   9.0864  3304.45  647.122  9427.35  3165.67  3037.43  661.081  138.117   29.144   85.074   9.7460 53.04303 30.73045 
1 1 1  -25   27   14 o  146.410   10.092  8974.97  1192.43 11140.33  4099.30  8774.81  1246.32  141.219   35.724  144.491   10.699 -3.272415 37.29183 
1 1 1  -25   27   15 o   32.546   12.064  363.670  423.776 -333.1775  3224.16  375.920  427.484   61.932   28.378   32.869   12.130 29.06327 30.86157 
1 1 1  -25   27   16 o   24.056   10.883 -213.5459  455.438  574.847  3447.80 -227.5470  459.464   65.276   29.693   24.015   10.891 41.26108 31.62757 
1 1 1  -25   27   17 o  153.473   12.127 10270.56  1498.86  3423.11  5170.90 10898.67  1566.09   76.729   35.440  157.957   12.308 -81.22832 37.51620 
1 1 1  -25   27   18 o   61.056   21.161  1954.89  1280.01  4088.36  4425.76  1760.14  1337.16   72.953   33.362   58.590   21.480 14.36315 39.67866 
1 1 1  -25   27   19 o   35.730   16.840 -665.4973  1266.99 -3496.0859  4535.79 -425.9449  1319.52   50.633   25.401   37.775   17.603 12.85799 30.90455 
1 1 1  -25   27   20 o   41.775   18.672  483.270  1296.07   0.0000   0.0000  483.270  1296.07  ?   ?    41.775   18.672 0.000000 18.67212 
1 1 1  -25   29    1 o   34.216   15.723 -709.0694  999.472   0.0000   0.0000 -709.0694  999.472  ?   ?    34.216   15.723 0.000000 15.72274 
1 1 1  -25   29    2 o  207.507   18.566 18147.27  3095.10   0.0000   0.0000 18147.27  3095.10  ?   ?   207.507   18.566 0.000000 18.56594 
1 1 1  -25   29    3 o  297.827   20.659 37607.22  4964.95   0.0000   0.0000 37607.22  4964.95  ?   ?   297.827   20.659 0.000000 20.65880 
1 1 1  -25   29    4 o  325.440   18.520 44607.16  4873.53 50347.51  9391.16 42491.47  5701.34  330.620   35.541  314.971   22.440 15.64883 42.03185 
1 1 1  -25   29    5 o  343.948   18.664 49987.30  5192.85 61195.29  9751.72 45551.23  6135.03  365.845   33.189  324.656   23.431 41.18860 40.62661 
1 1 1  -25   29    6 o  366.298   19.864 57208.35  5885.86 60479.09 10891.07 55858.99  6995.41  354.639   38.437  357.828   24.220 -3.188965 45.43145 
1 1 1  -25   29    7 o  112.090   17.910  5433.39  1575.13  5220.67  3686.03  5480.91  1742.21  105.157   35.934  111.828   19.917 -6.671906 41.08430 
1 1 1  -25   29    8 o  134.658   17.443  7803.30  1862.38  9303.46  3803.06  7330.06  2136.03  137.474   34.208  128.788   21.162 8.685303 40.22436 
1 1 1  -25   29    9 o   99.093   19.031  4345.57  1475.54  5880.48  3339.63  3973.26  1644.79  108.649   34.041   93.527   22.023 15.12247 40.54406 
1 1 1  -25   29   10 o   22.095   10.850 -1333.0140  671.702 -8550.0283  2717.23 -863.2907  693.217   36.761   18.593   25.467   12.135 11.29406 22.20269 
1 1 1  -25   29   11 o  152.037   18.196 10160.45  2201.69  6806.71  4586.50 11164.67  2509.76  110.043   39.867  158.266   19.975 -48.22327 44.59153 
1 1 1  -25   29   12 o  135.322   9.4262  7631.21  1029.25  7790.80  4153.59  7620.77  1062.39  115.735   38.126  135.109   9.7496 -19.37335 39.35322 
1 1 1  -25   29   13 o   68.193   9.7662  1975.14  525.320 -1795.3590  3539.01  2060.09  531.204   59.727   28.148   69.708   9.6435 -9.980747 29.75437 
1 1 1  -25   29   14 f   83.417   10.107  2959.88  670.594  2527.70  3807.81  2973.72  681.242   77.190   33.313   83.559   10.256 -6.368904 34.85630 
1 1 1  -25   29   15 f   86.965   10.285  3239.60  712.159 -832.7485  4475.99  3345.36  721.347   65.026   30.942   88.409   10.238 -23.38367 32.59196 
1 1 1  -25   29   16 o   63.655   12.716  1826.75  634.232 -400.7603  4631.79  1869.31  640.263   63.741   30.637   64.421   12.692 -0.6798630 33.16142 
1 1 1  -25   29   17 o   41.774   17.550  469.809  1008.21 -7157.7070  4774.33  825.823  1031.47   49.439   24.962   45.946   18.338 3.493229 30.97410 
1 1 1  -25   29   18 o   55.461   22.394  1723.74  1557.70 -914.3387  5475.12  1956.08  1624.84   56.074   28.099   57.595   23.006 -1.521282 36.31601 
1 1 1  -25   29   19 o   43.151   19.123  659.912  1330.05   0.0000   0.0000  659.912  1330.05  ?   ?    43.151   19.123 0.000000 19.12307 
1 1 1  -25   31    1 o  330.956   23.059 47693.13  6157.94   0.0000   0.0000 47693.13  6157.94  ?   ?   330.956   23.059 0.000000 23.05943 
1 1 1  -25   31    2 o  107.531   23.367  5196.95  1981.89   0.0000   0.0000  5196.95  1981.89  ?   ?   107.531   23.367 0.000000 23.36661 
1 1 1  -25   31    3 o   87.881   23.659  3492.15  1725.66   0.0000   0.0000  3492.15  1725.66  ?   ?    87.881   23.659 0.000000 23.65892 
1 1 1  -25   31    4 o  219.481   20.716 20911.41  3648.09   0.0000   0.0000 20911.41  3648.09  ?   ?   219.481   20.716 0.000000 20.71556 
1 1 1  -25   31    5 o   59.916   21.530  1384.79  1334.19  4233.77  3766.36  975.984  1426.71   96.833   35.952   56.183   21.823 40.64997 42.05761 
1 1 1  -25   31    6 f  175.133   17.998 13230.32  2522.96 18811.81  5401.78 11673.01  2853.31  194.541   35.505  161.929   22.292 32.61180 41.92340 
1 1 1  -25   31    7 o  176.548   17.685 13472.52  2501.14 11987.20  5566.99 13848.16  2799.60  144.806   43.695  177.726   19.733 -32.91930 47.94473 
1 1 1  -25   31    8 o  162.395   18.513 11544.19  2397.47 15902.79  5551.12 10544.76  2658.16  169.674   40.795  152.890   22.050 16.78394 46.37267 
1 1 1  -25   31    9 o  100.583   21.806  4670.13  1729.55  526.884  4754.23  5302.11  1856.78   78.525   35.376  107.197   22.068 -28.67214 41.69474 
1 1 1  -25   31   10 o  172.702   19.902 13402.31  2739.75 12477.77  6289.14 13618.86  3043.75  134.524   46.890  172.062   22.312 -37.53828 51.92736 
1 1 1  -25   31   11 o   59.594   21.970  1460.15  1401.62  2868.44  4352.66  1297.23  1480.48   83.335   35.788   58.360   22.347 24.97544 42.19209 
1 1 1  -25   31   12 o  185.937   20.203 15978.82  3001.11 16238.53  6554.54 15909.93  3375.74  142.998   47.922  181.944   23.392 -38.94595 53.32632 
1 1 1  -25   31   13 o  109.241   9.4034  5038.00  825.953  5638.45  5173.08  5022.29  836.686   90.504   38.945  109.005   9.5495 -18.50036 40.09834 
1 1 1  -25   31   14 o   99.896   9.5017  4247.50  761.421  5098.74  5169.33  4228.63  769.818   83.645   37.345   99.606   9.6389 -15.96133 38.56902 
1 1 1  -25   31   15 o   47.940   20.286  658.312  1362.77  188.120  4989.64  696.213  1416.63   64.590   31.231   48.758   20.661 15.83130 37.44620 
1 1 1  -25   31   16 o   52.988   20.595  1373.02  1271.29 -804.7296  5341.09  1503.81  1308.91   59.256   29.376   54.529   20.980 4.726849 36.09920 
1 1 1  -25   31   17 o   43.765   19.643  409.927  1450.23  3781.67  6156.03  211.809  1492.23   61.266   30.563   42.821   19.500 18.44522 36.25360 
1 1 1  -25   33    1 o  110.035   26.840  5718.65  2376.61   0.0000   0.0000  5718.65  2376.61  ?   ?   110.035   26.840 0.000000 26.83997 
1 1 1  -25   33    2 o  169.207   22.344 12810.34  2994.81   0.0000   0.0000 12810.34  2994.81  ?   ?   169.207   22.344 0.000000 22.34435 
1 1 1  -25   33    3 o  155.562   23.932 11026.58  2926.00   0.0000   0.0000 11026.58  2926.00  ?   ?   155.562   23.932 0.000000 23.93205 
1 1 1  -25   33    4 o   84.157   25.712  3314.76  1918.86   0.0000   0.0000  3314.76  1918.86  ?   ?    84.157   25.712 0.000000 25.71153 
1 1 1  -25   33    5 f   81.203   23.995  3073.52  1692.01 -8146.6128  5990.19  4046.34  1763.84   65.458   32.197   93.075   23.372 -27.61687 39.78569 
1 1 1  -25   33    6 o  158.186   20.700 11239.48  2595.00 16418.80  6457.61 10242.02  2833.89  161.493   46.638  148.267   24.388 13.22530 52.62992 
1 1 1  -25   33    7 o   49.861   20.896  431.293  1423.55  4425.58  4573.21   2.7374  1497.98   94.190   38.252   47.379   20.668 46.81074 43.47823 
1 1 1  -25   33    8 o  214.203   20.634 20811.19  3544.41 31546.68  8443.92 18515.06  3905.09  218.400   48.841  197.416   24.917 20.98311 54.82923 
1 1 1  -25   33    9 o   58.292   22.846  1233.08  1574.27  3144.88  5531.05  1064.55  1642.19   86.924   38.732   57.276   23.040 29.64754 45.06715 
1 1 1  -25   33   10 o   92.847   25.009  4360.63  1927.61  1546.22  6747.34  4610.74  2011.44   82.638   38.922   95.154   25.512 -12.51534 46.53786 
1 1 1  -25   33   11 o  121.291   24.232  7398.58  2303.02  4203.48  6633.81  7836.43  2455.76   85.956   39.856  123.870   25.272 -37.91418 47.19297 
1 1 1  -25   33   12 o  169.790   23.084 14477.86  3099.96 17592.82  7862.19 13904.46  3373.23  118.673   49.369  161.543   26.646 -42.86922 56.10097 
1 1 1  -25   33   13 o   87.021   24.017  4139.01  1752.54  2553.24  6794.73  4252.02  1813.91   73.639   35.802   87.718   24.517 -14.07876 43.39200 
1 1 1  -25   33   14 o   60.722   23.760  1982.12  1700.72  7456.83  6835.09  1620.79  1755.95   76.962   37.048   57.583   23.580 19.37853 43.91507 
1 1 1  -25   33   15 o   93.139   26.829  5763.20  2139.41 15693.42  7713.61  4935.65  2226.77   80.595   38.936   82.851   27.931 -2.255501 47.91843 
1 1 1  -25   33   16 o   71.505   26.193  3980.78  1987.74 11082.75  7825.36  3490.94  2055.15   64.345   32.422   66.283   26.064 -1.938423 41.59935 
1 1 1  -25   35    1 o  168.862   25.241 13450.68  3354.59   0.0000   0.0000 13450.68  3354.59  ?   ?   168.862   25.241 0.000000 25.24092 
1 1 1  -25   35    2 f  148.999   26.284 10662.30  3063.73   0.0000   0.0000 10662.30  3063.73  ?   ?   148.999   26.284 0.000000 26.28447 
1 1 1  -25   35    3 f  203.695   25.160 19627.37  4072.92   0.0000   0.0000 19627.37  4072.92  ?   ?   203.695   25.160 0.000000 25.16043 
1 1 1  -25   35    4 o  129.837   27.696  8384.85  2830.77   0.0000   0.0000  8384.85  2830.77  ?   ?   129.837   27.696 0.000000 27.69619 
1 1 1  -25   35    5 o   94.515   27.835  4559.13  2280.29   0.0000   0.0000  4559.13  2280.29  ?   ?    94.515   27.835 0.000000 27.83549 
1 1 1  -25   35    6 o  148.354   25.239 10744.58  2931.33  3013.55  8195.99 11878.56  3138.96   91.099   42.904  155.595   25.746 -64.49629 50.03593 
1 1 1  -25   35    7 o   71.142   25.807  2404.85  1922.77  2915.32  6716.94  2359.28  2006.74   86.345   40.061   70.892   26.259 15.45286 47.89947 
1 1 1  -25   35    8 o   77.603   26.437  3106.76  1995.08 10682.74  7049.20  2447.07  2080.13  107.888   45.916   71.097   26.655 36.79024 53.09209 
1 1 1  -25   35    9 o   57.023   23.380  1143.08  1729.02 -3873.3999  7093.96  1459.91  1782.78   69.516   34.353   60.120   24.069 9.396511 41.94535 
1 1 1  -25   35   10 o   39.616   18.663 -1076.7490  1552.98  1725.47  7486.04 -1202.7670  1587.51   76.374   37.231   39.482   18.682 36.89215 41.65562 
1 1 1  -25   35   11 o   38.592   18.157 -922.4714  1461.08 -1138.5601  7639.46 -914.2672  1488.56   68.716   34.242   39.017   18.347 29.69843 38.84752 
1 1 1  -25   35   12 o   85.945   28.555  4892.72  2328.12  5878.12  8788.78  4818.35  2414.37   73.035   36.447   84.296   29.071 -11.26119 46.62101 
1 1 1  -25   35   13 o   45.524   20.893   94.150  1757.58  7372.52  8617.97 -221.7182  1795.32   68.657   34.521   44.181   20.570 24.47549 40.18455 
1 1 1  -25   35   14 o   49.513   22.103  1025.38  1810.25 -3681.2451  9284.08  1211.40  1845.68   55.570   28.561   50.811   22.522 4.758827 36.37277 
1 1 1  -25   37    1 o  117.315   34.195  8069.10  3457.11   0.0000   0.0000  8069.10  3457.11  ?   ?   117.315   34.195 0.000000 34.19509 
1 1 1  -25   37    2 o   48.022   22.474 -1252.5490  2188.72   0.0000   0.0000 -1252.5490  2188.72  ?   ?    48.022   22.474 0.000000 22.47426 
1 1 1  -25   37    3 o   96.243   31.976  5352.82  2919.36   0.0000   0.0000  5352.82  2919.36  ?   ?    96.243   31.976 0.000000 31.97623 
1 1 1  -25   37    4 o   42.486   20.083 -1415.7250  1826.29   0.0000   0.0000 -1415.7250  1826.29  ?   ?    42.486   20.083 0.000000 20.08315 
1 1 1  -25   37    5 o  138.865   31.592 11016.27  3481.77   0.0000   0.0000 11016.27  3481.77  ?   ?   138.865   31.592 0.000000 31.59153 
1 1 1  -25   37    6 o   58.410   25.268  918.096  2201.28   0.0000   0.0000  918.096  2201.28  ?   ?    58.410   25.268 0.000000 25.26837 
1 1 1  -25   37    7 o   48.742   22.787 -833.9225  2239.72  3302.44  8907.90 -1113.0580  2314.05   79.581   39.166   48.291   22.760 31.28946 45.29910 
1 1 1  -25   37    8 o   51.704   23.769 -116.5694  2287.32  259.983  9113.51 -141.8837  2362.96   72.859   36.472   52.183   24.052 20.67577 43.68863 
1 1 1  -25   37    9 o   31.975   15.830 -2754.3701  1531.70 -15511.7100  9058.74 -2378.9060  1554.07   57.773   29.623   33.503   16.463 24.27005 33.89012 
1 1 1  -25   37   10 o  148.656   31.050 14667.48  3626.92 13181.67 12239.60 14810.51  3797.48   74.222   37.740  145.481   32.917 -71.25870 50.07840 
1 1 1  -25   37   11 o  117.356   32.580 10649.58  3214.66  3769.13 12557.93 11132.07  3325.46   63.985   32.904  118.832   33.190 -54.84705 46.73588 
1 1 1  -25   37   12 o   52.453   23.670  1382.57  2138.87  1746.38 11532.34  1369.61  2176.63   58.382   30.096   52.463   23.758 5.918907 38.34296 
1 1 1  -25   39    1 o  115.737   36.295  9617.38  3795.49   0.0000   0.0000  9617.38  3795.49  ?   ?   115.737   36.295 0.000000 36.29486 
1 1 1  -25   39    2 o   95.742   35.492  6912.33  3667.66   0.0000   0.0000  6912.33  3667.66  ?   ?    95.742   35.492 0.000000 35.49201 
1 1 1  -25   39    3 o   97.040   34.796  7018.90  3483.11   0.0000   0.0000  7018.90  3483.11  ?   ?    97.040   34.796 0.000000 34.79616 
1 1 1  -25   39    4 o   52.454   24.420 -259.4468  2529.62   0.0000   0.0000 -259.4468  2529.62  ?   ?    52.454   24.420 0.000000 24.41975 
1 1 1  -25   39    5 o  119.556   36.870 11265.19  3935.26   0.0000   0.0000 11265.19  3935.26  ?   ?   119.556   36.870 0.000000 36.86990 
1 1 1  -25   39    6 o   61.642   27.664  1774.02  2875.75   0.0000   0.0000  1774.02  2875.75  ?   ?    61.642   27.664 0.000000 27.66384 
1 1 1  -25   39    7 o   59.929   26.966  1779.99  2752.88   0.0000   0.0000  1779.99  2752.88  ?   ?    59.929   26.966 0.000000 26.96630 
1 1 1  -25   39    8 o   75.281   31.233  5136.49  3134.53  253.891 14267.49  5384.11  3213.03   63.058   32.545   76.220   31.622 -13.16154 45.37743 
1 1 1  -25   39    9 o   61.222   27.227  2858.72  2719.02  7987.40 13952.40  2656.26  2772.17   61.720   31.868   60.136   27.060 1.583950 41.80682 
1 1 1  -25   41    1 o   63.932   30.443  2831.55  4348.59   0.0000   0.0000  2831.55  4348.59  ?   ?    63.932   30.443 0.000000 30.44291 
1 1 1  -25   41    2 o   74.374   33.444  6118.90  4226.19   0.0000   0.0000  6118.90  4226.19  ?   ?    74.374   33.444 0.000000 33.44409 
1 1 1  -25   41    3 o   69.463   31.557  4818.46  3878.31   0.0000   0.0000  4818.46  3878.31  ?   ?    69.463   31.557 0.000000 31.55720 
1 1 1  -24    0    3 o  208.158   15.950 17917.72  2659.50 17917.72  2659.50   0.0000   0.0000  208.158   15.950  208.158   15.950 0.000000 0.000000 
1 1 1  -24    0    4 o   61.719   9.6148  1655.34  446.998  1655.34  446.998   0.0000   0.0000   61.719   9.6148   61.719   9.6148 0.000000 0.000000 
1 1 1  -24    0    5 o  725.482   35.104 216094.70 20568.05 214974.09 29125.86 217209.41 29049.52  719.294   50.439  723.214   50.018 0.000000 0.000000 
1 1 1  -24    0    6 o  149.516   9.1558  9179.83  1101.98  6994.97  1588.24 11208.04  1530.25  128.352   15.895  164.915   11.558 0.000000 0.000000 
1 1 1  -24    0    7 o  1092.70   52.808 492129.31 46603.18 498224.91 65874.95 486021.91 65938.79  1091.17   75.171  1077.06   76.278 -0.000000 0.000000 
1 1 1  -24    0    8 f  628.035   43.728 163358.80 22050.42 163358.80 22050.42   0.0000   0.0000  628.035   43.728  628.035   43.728 -0.000000 0.000000 
1 1 1  -24    0    9 o  857.334   40.540 302121.31 28077.45 253743.41 39672.98 350667.81 39742.12  777.446   63.838  920.152   53.609 -0.000000 0.000000 
1 1 1  -24    0   10 o   16.445   9.4514  137.453  201.573 -1287.8420  431.870  534.435  227.922   10.077   7.4206   32.574   9.8747 0.000000 0.000000 
1 1 1  -24    0   11 o  473.270   23.062 91930.93  8814.32 82814.48 12427.14 101160.30 12503.87  445.704   34.828  494.452   31.436 -0.000000 0.000000 
1 1 1  -24    0   12 o  282.440   21.488 33086.79  4862.19 33086.79  4862.19   0.0000   0.0000  282.440   21.488  282.440   21.488 0.000000 0.000000 
1 1 1  -24    0   13 o   11.879   8.2179 -222.5621  270.404 -493.8863  460.643 -79.9129  334.007   14.603   10.241   15.480   10.231 0.000000 0.000000 
1 1 1  -24    0   14 o  244.726   13.477 24590.88  2659.51 21713.10  3805.68 27337.70  3718.08  227.800   20.984  257.100   18.014 0.000000 0.000000 
1 1 1  -24    0   15 o  425.141   21.579 74449.67  7405.30 79872.34 10417.98 68911.62 10528.25  437.789   29.619  405.071   32.491 -0.000000 0.000000 
1 1 1  -24    0   16 o  132.752   10.163  7292.43  1080.76  4594.44  1621.68  9448.23  1449.60   98.838   23.261  150.954   12.001 0.000000 0.000000 
1 1 1  -24    0   17 o  113.796   9.7035  5381.22  881.592  2856.04  1349.95  7258.97  1164.10   73.228   25.225  132.191   11.022 0.000000 0.000000 
1 1 1  -24    0   18 o  135.276   10.284  7578.97  1114.59  5577.31  1737.16  8979.58  1453.13  110.864   21.666  146.870   12.388 0.000000 0.000000 
1 1 1  -24    0   19 o   67.092   12.857  2026.63  625.959  2074.99  697.772  1827.31  1416.63   66.984   14.650   54.528   26.822 -0.000000 0.000000 
1 1 1  -24    0   20 o   48.905   16.182  1255.53  571.283  1359.36  1689.84  1242.13  607.024   48.738   27.628   47.871   17.106 0.000000 0.000000 
1 1 1  -24    0   21 o   20.425   13.048   38.791  482.606 -287.4314  513.413  2514.99  1414.50   17.419   11.858   65.196   26.929 -0.000000 0.000000 
1 1 1  -24    0   22 o  165.984   12.000 11511.61  1597.81 11802.07  2627.02 11341.06  2012.95  163.716   20.656  163.172   15.516 0.000000 0.000000 
1 1 1  -24    0   23 o  111.436   12.472  5318.48  1092.27  5585.06  1227.39  4303.77  2394.62  113.625   13.854   81.790   35.166 -0.000000 0.000000 
1 1 1  -24    0   24 o  118.660   12.779  6053.19  1195.10  6419.38  2750.03  5967.93  1326.95  103.307   36.190  116.814   14.608 0.000000 0.000000 
1 1 1  -24    0   25 o  171.030   16.152 12833.46  2197.10 12833.46  2197.10   0.0000   0.0000  171.030   16.152  171.030   16.152 -0.000000 0.000000 
1 1 1  -24    0   26 o   47.067   20.027  1389.46  778.012   0.0000   0.0000  1389.46  778.012   47.067   20.027   47.067   20.027 0.000000 0.000000 
1 1 1  -24    2    2 o  672.024   46.642 187764.30 25293.09 187764.30 25293.09   0.0000   0.0000  672.024   46.642  ?   ?  0.000000 46.64187 
1 1 1  -24    2    3 o  249.384   12.892 25352.15  2601.54 25443.77  3717.72 25264.24  3641.71  249.302   18.498  248.451   18.178 0.8502960 25.93490 
1 1 1  -24    2    4 o  293.697   12.017 35059.28  2865.76 34793.97  5010.46 35188.27  3493.62  291.454   21.320  294.155   14.627 -2.701080 25.85555 
1 1 1  -24    2    5 f  330.381   13.306 44371.30  3569.50 49216.60  6221.88 41994.17  4358.01  346.847   22.209  320.849   16.787 25.99783 27.83946 
1 1 1  -24    2    6 o  774.720   26.318 244827.20 16555.41 246256.20 23407.92 243397.00 23417.87  775.150   37.191  770.590   37.427 4.559448 52.76324 
1 1 1  -24    2    7 o  431.742   14.843 75784.55  5203.20 70566.44  7348.88 81029.87  7368.04  415.696   21.849  446.152   20.339 -30.45624 29.85061 
1 1 1  -24    2    8 o  257.740   10.710 26990.66  2241.37 24403.84  3833.62 28334.16  2762.77  244.082   19.506  264.031   12.887 -19.94824 23.37895 
1 1 1  -24    2    9 o  418.944   14.197 71374.36  4829.23 74246.14  6822.52 68490.70  6836.61  426.963   19.680  409.503   20.627 17.46014 28.50912 
1 1 1  -24    2   10 o  810.762   27.064 269189.00 17816.61 277300.00 25187.73 261066.80 25205.26  819.513   37.853  794.733   39.060 24.77997 54.39204 
1 1 1  -24    2   11 o  479.892   16.575 93953.13  6458.36 101568.30  9125.98 86312.80  9141.04  497.928   22.572  457.971   24.673 39.95657 33.44053 
1 1 1  -24    2   12 o  644.123   25.740 171089.59 13462.21 171457.20 16474.91 170351.09 23353.72  642.302   31.590  630.753   45.915 11.54944 55.73194 
1 1 1  -24    2   13 o  596.896   20.569 146332.41  9969.00 145173.70 14088.61 147494.30 14108.01  591.005   29.359  595.802   29.163 -4.797119 41.38111 
1 1 1  -24    2   14 o  263.697   9.8567 28319.40  2110.45 27328.85  2973.78 29324.53  2995.58  258.220   14.238  267.578   13.835 -9.358521 19.85301 
1 1 1  -24    2   15 o  505.552   17.631 105011.90  7237.49 104328.70 10226.36 105697.50 10244.38  500.194   25.261  504.166   25.025 -3.972015 35.55801 
1 1 1  -24    2   16 o  447.728   15.535 82302.27  5647.48 84226.60  7978.73 80370.16  7994.79  450.496   21.812  439.230   22.492 11.26642 31.33195 
1 1 1  -24    2   17 o  197.644   8.1297 15919.41  1304.66 14676.45  1830.87 17201.70  1859.61  188.980   11.994  204.798   11.226 -15.81804 16.42776 
1 1 1  -24    2   18 o   52.970   8.5662  1174.44  355.855  1308.40  470.620  995.586  543.782   55.583   10.817   48.442   13.382 7.140945 17.20695 
1 1 1  -24    2   19 f   11.252   5.6939 -893.2836  256.733 -1024.3820  321.590 -662.9081  426.307   13.036   6.5690   19.050   9.1909 -6.014266 11.29711 
1 1 1  -24    2   20 o  236.449   9.3573 23043.15  1796.49 23456.21  2531.32 22623.96  2550.03  236.456   13.238  232.006   13.596 4.449829 18.97577 
1 1 1  -24    2   21 o  106.921   7.4853  4722.76  645.745  4374.60  891.137  5107.71  937.034  101.882   10.944  110.291   10.594 -8.409142 15.23149 
1 1 1  -24    2   22 o  112.383   8.3567  5260.43  757.102  4178.51  1025.00  6559.43  1123.13   98.218   13.186  124.352   11.245 -26.13407 17.32948 
1 1 1  -24    2   23 o   88.329   8.7686  3290.37  620.577  2969.01  840.172  3676.19  920.588   82.050   13.048   91.637   12.715 -9.587006 18.21861 
1 1 1  -24    2   24 o   24.927   10.760  -1.1350  397.488 -230.3230  506.651  365.750  641.029   25.147   11.417   35.884   14.409 -10.73697 18.38419 
1 1 1  -24    2   25 o   45.822   12.895  985.623  500.004  862.025  637.984  1182.42  805.023   43.238   14.942   49.147   16.793 -5.909485 22.47812 
1 1 1  -24    2   26 o   39.917   12.960  770.729  480.587  997.597  609.283  397.153  781.847   44.367   14.602   36.170   15.339 8.197422 21.17763 
1 1 1  -24    4    1 o  562.589   39.112 130716.00 17755.23 130716.00 17755.23   0.0000   0.0000  562.589   39.112  ?   ?  0.000000 39.11155 
1 1 1  -24    4    2 o  435.851   21.372 77411.02  7563.65 73695.16 10728.78 81082.66 10664.75  423.208   31.447  444.323   29.732 -21.11438 43.27687 
1 1 1  -24    4    3 o  447.717   21.791 81685.96  7921.72 86150.89 11210.26 77232.59 11195.76  458.007   30.316  433.241   32.054 24.76563 44.11907 
1 1 1  -24    4    4 o  1217.82   86.816 638484.19 85283.98 638484.19 85283.98   0.0000   0.0000  1217.82   86.816  ?   ?  0.000000 86.81560 
1 1 1  -24    4    5 o  447.806   18.135 81599.44  6593.95 70871.71 11455.94 86914.55  8063.67  414.719   34.329  461.945   21.498 -47.22589 40.50501 
1 1 1  -24    4    6 o  1084.01   42.424 482753.59 37340.87 483715.19 64707.62 482273.50 45721.96  1069.46   74.991  1080.23   52.128 -10.77283 91.32909 
1 1 1  -24    4    7 o  770.831   37.078 243386.20 23206.78 227483.09 32828.08 259272.30 32810.62  739.358   55.078  790.793   51.378 -51.43445 75.32098 
1 1 1  -24    4    8 o  507.689   20.025 104939.40  8254.69 104470.50 14235.08 105176.90 10132.18  503.902   35.009  507.899   24.569 -3.996613 42.76991 
1 1 1  -24    4    9 o  433.402   14.928 76410.45  5253.34 74036.70  7416.39 78800.85  7442.37  425.624   21.530  439.716   20.845 -14.09207 29.96750 
1 1 1  -24    4   10 o   53.325   5.5166  1167.28  235.406  1151.26  317.741  1186.78  350.491   52.683   7.6516   53.404   8.3569 -0.7207375 11.33069 
1 1 1  -24    4   11 f  124.024   7.3476  6273.25  736.633  6037.92  1328.59  6377.70  885.144  120.958   13.773  124.937   8.7812 -3.979340 16.33428 
1 1 1  -24    4   12 o  303.821   34.409 39005.01  8338.80 39005.01  8338.80   0.0000   0.0000  303.821   34.409  ?   ?  0.000000 34.40910 
1 1 1  -24    4   13 o  138.208   6.6643  7764.67  747.878  8563.03  1034.82  6891.72  1082.07  144.802   8.8438  129.682   10.363 15.12022 13.62363 
1 1 1  -24    4   14 o  341.855   12.083 47675.76  3353.91 48120.40  4726.01 47224.62  4760.47  342.637   16.987  338.933   17.356 3.704376 24.28592 
1 1 1  -24    4   15 o  174.525   7.6189 12394.40  1079.66 12153.16  1501.72 12652.50  1553.33  172.286   10.789  175.783   10.937 -3.497711 15.36340 
1 1 1  -24    4   16 o  419.095   14.732 72050.33  5013.11 70981.15  7071.08 73130.79  7108.27  413.217   21.146  420.063   20.841 -6.845978 29.68977 
1 1 1  -24    4   17 o  103.034   6.8518  4340.94  569.955  4139.06  762.393  4596.72  858.153  100.263   9.4772  105.608   10.132 -5.344528 13.87350 
1 1 1  -24    4   18 o   68.561   7.5512  1940.29  413.402  2283.24  543.783  1470.65  636.345   74.173   9.2286   58.590   13.632 15.58258 16.46243 
1 1 1  -24    4   19 f  238.067   9.3176 23263.01  1801.11 23249.24  2533.06 23277.09  2561.48  236.336   13.254  236.414   13.399 -0.7830811E-01 18.84641 
1 1 1  -24    4   20 o   45.269   9.5283  876.300  339.152  767.781  430.001  1054.93  551.693   42.365   11.971   49.361   13.415 -6.995724 17.97913 
1 1 1  -24    4   21 o  114.038   7.8530  5380.48  722.724  5970.27  999.315  4733.68  1046.49  119.334   10.418  105.420   12.467 13.91402 16.24678 
1 1 1  -24    4   22 o  107.375   8.0087  4796.76  693.219  4298.85  928.458  5423.99  1042.07  100.280   11.618  112.811   11.539 -12.53062 16.37444 
1 1 1  -24    4   23 o  100.954   8.3511  4278.48  678.404  4513.07  880.891  3936.54  1063.53  102.637   10.729   93.863   14.415 8.773643 17.96962 
1 1 1  -24    4   24 o  120.416   8.6375  6147.11  838.906  6062.50  1113.87  6258.00  1275.22  117.446   11.842  117.989   13.557 -0.5425644 18.00080 
1 1 1  -24    4   25 o   46.570   12.562  1017.82  485.927  1054.47  585.348  936.559  871.558   46.905   14.172   45.430   17.205 1.474979 22.29059 
1 1 1  -24    4   26 o   40.600   13.225  807.897  500.294  638.815  571.751  1360.34  1033.48   37.447   13.987   48.943   18.687 -11.49569 23.34232 
1 1 1  -24    6    1 o  211.180   12.203 18185.79  2083.62   0.0000   0.0000 18185.79  2083.62  ?   ?   211.180   12.203 0.000000 12.20343 
1 1 1  -24    6    2 o  576.992   27.864 135922.59 13054.24 136028.30 18475.94 135817.20 18447.07  574.198   39.876  573.757   39.844 0.4405518 56.37025 
1 1 1  -24    6    3 o  532.426   25.764 115631.40 11137.91 114598.80 15751.80 116663.90 15750.96  527.469   37.013  532.290   36.667 -4.821716 52.10032 
1 1 1  -24    6    4 f  664.184   31.938 180350.20 17224.01 179616.70 24357.13 181083.80 24359.73  658.895   45.812  661.644   45.622 -2.748535 64.65366 
1 1 1  -24    6    5 o  1265.18   61.171 665762.81 62840.43 613498.38 88867.89 718031.69 88871.70  1193.40   92.432  1297.31   84.836 -103.9193 125.4622 
1 1 1  -24    6    6 o  378.018   18.670 58143.36  5730.39 52892.34  8101.79 63400.10  8106.21  358.971   28.018  393.543   25.505 -34.57172 37.88843 
1 1 1  -24    6    7 f  1493.96   60.012 927954.88 72796.65 804589.38 126116.70 989594.88 89147.00  1344.15  116.713  1535.21   71.516 -191.0581 136.8809 
1 1 1  -24    6    8 o  620.000   29.821 157136.70 15012.22   0.0000   0.0000 157136.70 15012.22  ?   ?   620.000   29.821 0.000000 29.82051 
1 1 1  -24    6    9 o  1443.37   57.517 875008.38 67408.53 944518.88 116778.60 840274.12 82549.92  1449.31   99.843  1398.73   72.937 50.57971 123.6469 
1 1 1  -24    6   10 o  265.287   11.357 28628.72  2446.41 27895.29  4268.76 28987.42  2985.29  260.520   20.341  266.459   13.846 -5.938293 24.60638 
1 1 1  -24    6   11 o  513.368   20.428 107950.00  8515.34 118902.00 14773.49 102501.10 10420.49  533.499   34.286  498.285   25.844 35.21405 42.93555 
1 1 1  -24    6   12 o  349.228   13.869 49756.72  3932.75 50233.40  4807.73 48792.70  6837.06  350.484   16.894  343.169   24.702 7.314148 29.92678 
1 1 1  -24    6   13 o  579.973   19.725 138128.80  9288.79 137696.30 13119.59 138563.50 13153.15  575.726   28.065  577.544   28.048 -1.817993 39.67817 
1 1 1  -24    6   14 o  254.502   9.3780 26376.57  1937.94 25703.46  2720.02 27070.49  2761.77  250.481   13.423  257.098   13.275 -6.616989 18.87848 
1 1 1  -24    6   15 o  240.186   9.0506 23500.75  1765.08 22120.54  2474.65 24930.11  2518.31  232.219   13.179  246.672   12.616 -14.45244 18.24362 
1 1 1  -24    6   16 o  179.468   7.9120 13117.30  1152.95 13996.44  1614.35 12202.04  1647.19  184.824   10.804  172.361   11.842 12.46295 16.02979 
1 1 1  -24    6   17 o  197.730   8.2512 15941.37  1324.74 15309.95  1854.05 16599.93  1893.50  192.973   11.891  201.016   11.651 -8.043167 16.64736 
1 1 1  -24    6   18 o   55.317   8.9287  1282.35  387.377  588.276  473.388  2689.17  673.956   38.762   12.876   80.306   10.594 -41.54424 16.67449 
1 1 1  -24    6   19 o   64.133   8.5044  1714.96  431.934  2149.37  564.944  1103.71  670.133   71.612   9.9878   50.927   15.114 20.68430 18.11575 
1 1 1  -24    6   20 o   48.768   8.9092  1009.43  339.787  996.005  416.357  1036.21  587.954   48.071   10.916   48.989   14.051 -0.9177628 17.79311 
1 1 1  -24    6   21 o   38.773   11.787  636.769  403.981   58.959  477.133  2099.77  759.224   28.552   12.038   69.158   14.001 -40.60639 18.46461 
1 1 1  -24    6   22 o  192.438   8.8744 15410.14  1386.65 14747.29  1909.41 16149.84  2017.06  185.493   12.755  194.052   12.875 -8.558823 18.12309 
1 1 1  -24    6   23 o  137.760   8.5605  7966.38  952.812  8705.90  1287.42  7070.75  1416.81  142.390   11.226  126.315   14.052 16.07451 17.98600 
1 1 1  -24    6   24 o   99.325   8.8228  4207.07  704.138  3304.71  851.744  6155.20  1251.49   85.845   12.594  116.862   13.433 -31.01704 18.41382 
1 1 1  -24    6   25 o   88.063   9.5863  3405.19  674.389  3030.49  820.973  4182.65  1182.56   80.614   12.983   91.553   16.516 -10.93878 21.00783 
1 1 1  -24    6   26 o   46.579   17.902  1205.01  952.367   0.0000   0.0000  1205.01  952.367  ?   ?    46.579   17.902 0.000000 17.90247 
1 1 1  -24    8    1 o  765.177   53.382 243194.50 32958.35 243194.50 32958.35   0.0000   0.0000  765.177   53.382  ?   ?  0.000000 53.38200 
1 1 1  -24    8    2 o  551.095   26.796 123877.60 11990.22 123075.60 17043.90 124663.40 16870.89  546.608   38.651  550.274   37.992 -3.665649 54.19681 
1 1 1  -24    8    3 o  194.193   10.962 15370.56  1721.33 15114.54  2478.96 15608.94  2392.02  192.125   16.038  195.346   15.200 -3.221451 22.09648 
1 1 1  -24    8    4 o  765.343   37.128 239872.91 23072.57 218170.80 32660.24 261493.70 32598.93  723.903   56.001  794.575   50.793 -70.67242 75.60446 
1 1 1  -24    8    5 o  746.519   35.879 228084.00 21748.12 226460.50 30783.07 229702.00 30729.96  738.980   51.627  744.415   51.151 -5.435608 72.67574 
1 1 1  -24    8    6 o  307.909   15.667 38651.80  3904.00 39962.92  5540.73 37359.10  5501.66  312.484   21.977  302.007   22.599 10.47675 31.52363 
1 1 1  -24    8    7 o  599.857   24.646 146740.30 12003.96 118476.70 20849.07 160755.41 14681.56  533.464   48.669  627.335   28.823 -93.87164 56.56326 
1 1 1  -24    8    8 o  308.354   15.536 38786.40  3877.38   0.0000   0.0000 38786.40  3877.38  ?   ?   308.354   15.536 0.000000 15.53627 
1 1 1  -24    8    9 o  162.897   8.0506 10782.32  1064.83 11160.20  1917.77 10613.89  1280.33  164.941   14.466  161.288   9.8232 3.653198 17.48576 
1 1 1  -24    8   10 o  772.005   30.713 246229.91 19252.29 262364.59 33393.91 238197.20 23562.25  782.188   52.890  754.639   38.583 27.54846 65.46781 
1 1 1  -24    8   11 o   57.474   7.9009  1368.21  358.963  1201.33  734.616  1420.56  411.426   53.797   15.787   58.426   8.9583 -4.629723 18.15120 
1 1 1  -24    8   12 o  170.170   8.4729 11779.15  1170.72 10030.47  2076.59 12593.90  1417.45  155.729   16.682  175.609   9.9821 -19.88020 19.44075 
1 1 1  -24    8   13 o  423.910   14.834 73458.98  5105.94 72143.53  7203.50 74787.22  7238.42  418.061   21.291  426.284   20.913 -8.222198 29.84393 
1 1 1  -24    8   14 o  354.609   12.593 51351.76  3625.85 49692.95  5110.29 53033.42  5145.36  347.277   18.186  359.361   17.634 -12.08377 25.33163 
1 1 1  -24    8   15 o  510.297   17.530 107157.00  7263.38 104509.80 10255.36 109821.50 10288.68  499.720   25.358  513.227   24.689 -13.50696 35.39193 
1 1 1  -24    8   16 o  234.377   9.4653 22408.55  1801.31 22981.61  2517.93 21807.81  2578.02  236.473   13.166  230.184   13.858 6.288498 19.11506 
1 1 1  -24    8   17 o  307.605   12.032 38802.75  3005.10 41137.07  4223.67 36409.62  4276.52  314.900   16.577  295.676   17.897 19.22360 24.39503 
1 1 1  -24    8   18 o   57.708   8.1919  1387.94  373.067  1991.39  448.226   27.324  673.047   69.338   8.1149   33.458   14.212 35.87959 16.36597 
1 1 1  -24    8   19 o  174.865   8.0921 12537.47  1148.95 12412.26  1611.43 12666.95  1638.64  172.746   11.555  174.489   11.632 -1.742981 16.39627 
1 1 1  -24    8   20 o  122.432   7.4265  6175.31  734.778  5874.57  999.101  6529.59  1084.40  118.544   10.488  124.920   10.797 -6.375839 15.05252 
1 1 1  -24    8   21 o   92.810   8.2746  3586.25  617.020  3044.75  761.218  4623.57  1053.58   84.498   11.385  103.848   12.764 -19.34970 17.10320 
1 1 1  -24    8   22 o   61.783   9.7545  1634.19  473.104  1871.60  547.949  938.834  937.757   65.929   10.595   48.812   17.974 17.11737 20.86443 
1 1 1  -24    8   23 o   18.888   8.6467 -189.0507  298.404 -185.3362  325.857 -208.3505  742.768   19.985   9.1053   31.365   14.069 -11.38009 16.75819 
1 1 1  -24    8   24 o   90.247   8.9036  3491.41  643.936  3081.48  756.118  4573.67  1228.57   83.310   11.483   98.224   15.952 -14.91467 19.65476 
1 1 1  -24    8   25 o   53.052   11.354  1303.68  474.304  1040.95  536.120  2249.97  1017.46   46.410   13.448   64.251   18.500 -17.84150 22.87160 
1 1 1  -24    8   26 o   43.801   18.718  982.763  1180.31   0.0000   0.0000  982.763  1180.31  ?   ?    43.801   18.718 0.000000 18.71840 
1 1 1  -24   10    1 o  483.645   19.189 95171.47  7535.51 94252.11 13113.78 95624.69  9207.43  479.019   33.936  484.538   23.403 -5.519104 41.22301 
1 1 1  -24   10    3 o  228.712   12.739 21323.61  2356.41 20042.67  3413.34 22489.96  3257.08  221.113   19.203  234.523   17.225 -13.41045 25.79598 
1 1 1  -24   10    4 o  603.807   28.943 148791.00 14190.05 155081.50 20137.37 142586.70 19998.88  613.582   40.650  587.905   42.175 25.67664 58.57595 
1 1 1  -24   10    5 o  940.766   45.497 364276.00 34753.59 354174.69 49206.95 374329.81 49091.25  918.401   66.435  945.243   64.345 -26.84216 92.48717 
1 1 1  -24   10    6 o  866.239   41.707 308631.69 29334.67 308596.69 41533.43 308666.50 41437.71  858.369   59.968  858.533   59.817 -0.1638184 84.70097 
1 1 1  -24   10    7 o  1103.91   53.146 507743.50 47636.16 540125.19 67410.24 475443.41 67325.23  1122.81   74.361  1049.16   79.625 73.65198 108.9485 
1 1 1  -24   10    8 o  611.859   24.149 153116.70 11997.70 163804.50 20877.36 147846.59 14660.27  627.185   41.226  599.254   30.227 27.93127 51.11972 
1 1 1  -24   10    9 o  773.978   31.057 247278.00 19517.69 249905.30 33901.41 245975.41 23870.55  763.036   55.089  768.671   38.246 -5.634888 67.06356 
1 1 1  -24   10   10 o  759.104   30.746 238864.00 18950.93 238542.09 32918.20 239023.59 23176.95  740.240   55.164  754.443   37.956 -14.20325 66.96049 
1 1 1  -24   10   11 o  399.835   16.356 65346.11  5309.94 65070.90  9291.26 65479.60  6470.78  395.082   29.170  399.585   19.944 -4.502991 35.33595 
1 1 1  -24   10   12 o  206.377   9.0398 17332.75  1514.82 26599.35  2719.90 13165.94  1823.87  254.983   13.182  179.229   12.613 75.75377 18.24455 
1 1 1  -24   10   13 o  144.993   8.1589  8581.30  956.643  8329.49  1759.94  8686.91  1139.72  141.829   15.537  145.727   9.6873 -3.897720 18.30939 
1 1 1  -24   10   14 o  102.575   7.4422  4303.51  615.622  9863.22  1162.56  2136.98  725.726  155.326   9.2600   71.214   13.031 84.11256 15.98608 
1 1 1  -24   10   15 f  182.048   9.2367 13544.16  1360.86 14486.53  2480.69 13138.48  1627.63  186.982   16.509  179.005   11.256 7.977036 19.98079 
1 1 1  -24   10   16 o  247.031   9.3313 24902.06  1871.69 24378.64  2628.63 25440.35  2665.68  243.417   13.351  248.700   13.248 -5.283737 18.80847 
1 1 1  -24   10   17 o  176.711   7.9074 12741.49  1134.58 12687.82  1557.16 12802.23  1656.54  175.599   10.976  176.246   11.641 -0.6467896 15.99993 
1 1 1  -24   10   18 o  109.603   7.2176  4928.60  638.727  5619.09  857.174  4066.55  957.766  116.716   9.1172   98.479   12.242 18.23663 15.26394 
1 1 1  -24   10   19 o  161.493   7.6119 10692.45  998.132 11222.78  1376.00 10103.51  1450.05  164.462   10.357  155.596   11.560 8.865265 15.52110 
1 1 1  -24   10   20 o   32.418   10.979  410.101  344.090  439.246  392.485  313.299  715.295   33.885   11.719   37.646   15.184 -3.761078 19.18064 
1 1 1  -24   10   21 o   81.758   8.5892  2798.73  561.668  3389.00  676.864  1493.58  1006.49   89.788   9.4247   57.938   18.750 31.85026 20.98567 
1 1 1  -24   10   22 o   37.353   11.436  598.536  379.355  539.593  408.017  974.399  1030.33   36.129   11.952   49.904   18.750 -13.77544 22.23511 
1 1 1  -24   10   23 o   31.697   10.893  403.455  338.852  443.173  361.576  116.938  971.142   32.995   11.254   38.612   16.744 -5.617100 20.17449 
1 1 1  -24   10   24 o  115.142   9.6828  5745.30  896.849  5448.85  1055.87  6513.16  1699.34  110.312   11.981  113.201   19.172 -2.888779 22.60811 
1 1 1  -24   10   25 o   63.182   10.160  1806.93  503.549  1992.29  545.333  734.539  1311.71   66.176   10.500   44.604   19.400 21.57250 22.05939 
1 1 1  -24   12    1 o  657.416   26.754 176250.41 14281.49 162021.00 24804.47 183306.59 17467.21  625.149   49.265  669.789   32.118 -44.63983 58.81018 
1 1 1  -24   12    2 o  1295.01   62.836 698127.88 66072.01 684171.69 93388.72 712114.81 93491.22  1261.66   91.792  1288.70   89.910 -27.04956 128.4894 
1 1 1  -24   12    3 o  531.310   26.407 115144.80 11392.32 107953.10 16209.19 122165.10 16014.92  511.534   39.327  544.938   36.404 -33.40421 53.58942 
1 1 1  -24   12    4 o  787.584   38.711 254598.09 24755.63 236559.20 35104.63 272443.31 34915.62  752.059   57.934  809.091   53.449 -57.03143 78.82313 
1 1 1  -24   12    5 o  620.769   31.458 158146.00 15804.37 134780.30 22443.79 181128.20 22258.85  568.447   49.108  661.876   41.630 -93.42828 64.37904 
1 1 1  -24   12    6 o  200.333   11.543 16370.25  1869.61 16275.91  2716.21 16455.18  2577.33  199.211   16.954  200.426   15.970 -1.215195 23.29063 
1 1 1  -24   12    7 o  406.456   28.913 68164.86  9479.83   0.0000   0.0000 68164.86  9479.83  ?   ?   406.456   28.913 0.000000 28.91278 
1 1 1  -24   12    8 o  992.202   48.197 416038.19 38829.07 447964.19 54986.46 384283.09 54839.03  1008.97   67.508  927.776   73.395 81.19196 99.72047 
1 1 1  -24   12    9 o  853.418   34.060 303168.69 23601.64 322844.81 41019.46 293431.09 28856.80  857.925   59.248  832.695   42.825 25.23077 73.10450 
1 1 1  -24   12   10 o  409.218   16.111 68421.71  5353.21 81694.75  9412.77 62076.32  6508.21  444.091   26.220  388.441   20.709 55.64993 33.41234 
1 1 1  -24   12   11 o  135.292   9.8381  7490.36  1073.34  4764.50  1654.78  9470.14  1410.25  106.060   19.947  152.018   11.511 -45.95743 23.03028 
1 1 1  -24   12   12 o  109.589   7.4140  4906.67  655.836  5143.31  1255.99  4817.97  768.998  111.308   14.222  108.447   8.8093 2.860771 16.72951 
1 1 1  -24   12   13 o  423.754   17.286 73720.22  5947.78 74775.27 10453.84 73215.21  7232.51  420.716   30.816  420.602   21.247 0.1144714 37.43074 
1 1 1  -24   12   14 o  120.539   8.0977  5942.42  787.955  4112.00  1575.26  6553.23  909.977   97.981   20.461  126.516   8.9152 -28.53574 22.31872 
1 1 1  -24   12   15 o  366.073   15.424 55091.05  4584.52 50841.70  8115.89 57082.42  5555.84  345.085   29.240  371.649   18.411 -26.56378 34.55332 
1 1 1  -24   12   16 o  328.797   13.952 44473.53  3724.82 46623.84  6649.90 43490.42  4496.38  331.115   24.917  323.625   17.173 7.490204 30.26137 
1 1 1  -24   12   17 o  105.509   9.3425  4593.12  792.097  3272.73  1497.05  5106.49  933.463   86.208   21.469  111.076   10.474 -24.86774 23.88718 
1 1 1  -24   12   18 o  ?   ?  -1901.2820  476.372 -250.7295  1247.86 -2182.8601  515.406   42.288   18.642  ?   ?  0.000000 18.64232 
1 1 1  -24   12   19 o   81.556   11.068  2809.88  713.991  3520.23  1791.75  2675.78  778.469   86.837   24.401   79.127   12.534 7.710709 27.43163 
1 1 1  -24   12   20 o   45.326   15.257  842.405  664.388  1270.03  2136.69  796.635  699.040   63.927   26.075   44.839   15.632 19.08847 30.40194 
1 1 1  -24   12   21 o   45.739   17.004  779.186  843.079  1220.83  2334.95  712.977  904.069   63.548   26.704   45.518   17.455 18.02997 31.90246 
1 1 1  -24   12   22 o   22.521   9.5924   16.244  308.120  165.938  331.577 -930.8695  834.032   26.158   10.411   27.952   13.316 -1.793882 16.90264 
1 1 1  -24   12   23 o   84.480   8.4343  3033.27  570.817  3279.77  659.972  2301.34  1137.26   87.390   9.4515   67.380   19.605 20.00945 21.76417 
1 1 1  -24   12   24 f   55.415   20.841  1640.31  1273.56   0.0000   0.0000  1640.31  1273.56  ?   ?    55.415   20.841 0.000000 20.84065 
1 1 1  -24   12   25 o   70.879   24.268  3678.45  1681.33   0.0000   0.0000  3678.45  1681.33  ?   ?    70.879   24.268 0.000000 24.26848 
1 1 1  -24   14    1 o  235.682   11.335 22574.96  2169.09 24923.70  3858.68 21489.90  2622.69  246.624   19.427  229.445   14.147 17.17921 24.03157 
1 1 1  -24   14    2 o  590.201   24.230 142146.91 11611.41 150015.70 20163.66 138242.91 14202.70  601.982   41.506  580.444   30.240 21.53735 51.35344 
1 1 1  -24   14    3 o  354.675   19.083 51395.68  5475.41 43136.77  7861.41 59176.61  7630.54  323.159   30.315  379.861   24.877 -56.70172 39.21523 
1 1 1  -24   14    4 o  426.814   22.259 74560.61  7687.38 63987.56 10982.65 84716.55 10763.83  392.916   34.784  453.731   29.374 -60.81464 45.52783 
1 1 1  -24   14    5 o  142.608   10.358  8311.58  1191.14  5196.29  1772.03 10879.50  1608.83  111.109   20.393  163.084   12.239 -51.97487 23.78403 
1 1 1  -24   14    6 o   87.003   11.430  3132.20  787.938   0.0000   0.0000  3132.20  787.938  ?   ?    87.003   11.430 0.000000 11.43036 
1 1 1  -24   14    7 o  262.632   14.638 28204.53  3109.18 25070.93  4515.58 31029.42  4287.39  246.247   22.844  274.810   19.337 -28.56253 29.92991 
1 1 1  -24   14    8 o  444.667   21.735 81119.51  7847.53 88527.14 11204.41 73986.54 10994.72  461.419   30.070  420.835   32.426 40.58441 44.22278 
1 1 1  -24   14    9 o  285.470   12.351 33209.13  2862.79 35490.50  5171.25 32200.99  3437.60  293.154   21.883  280.436   15.153 12.71857 26.61710 
1 1 1  -24   14   10 o  450.666   17.339 83139.18  6344.90 96541.98 11193.23 76793.63  7701.80  481.377   28.769  431.490   22.056 49.88666 36.25110 
1 1 1  -24   14   11 o  406.803   16.831 67782.96  5559.42 64278.52  9829.76 69431.12  6741.14  390.832   31.236  410.921   20.204 -20.08920 37.20082 
1 1 1  -24   14   12 o  329.842   13.564 44463.58  3632.68 45199.38  6507.27 44130.45  4378.45  329.252   24.516  327.681   16.509 1.571075 29.55683 
1 1 1  -24   14   13 o  504.425   20.202 105078.80  8274.30 107476.80 14547.72 103932.20 10059.98  499.886   36.084  499.524   24.803 0.3616638 43.78624 
1 1 1  -24   14   14 o  508.170   20.664 107063.90  8526.21 101014.30 14987.35 109958.60 10367.33  479.979   38.787  512.587   24.909 -32.60846 46.09708 
1 1 1  -24   14   15 o  503.826   20.855 105821.60  8531.78 99537.27 15012.77 108819.40 10368.94  471.707   39.562  507.912   25.142 -36.20468 46.87541 
1 1 1  -24   14   16 o  333.678   14.943 46057.72  4048.64 39324.88  7265.47 49090.00  4875.84  298.586   30.392  342.858   17.573 -44.27222 35.10660 
1 1 1  -24   14   17 o   79.345   10.496  2633.81  659.634  3910.47  1281.48  2173.60  769.393   95.092   17.231   71.193   13.808 23.89944 22.08141 
1 1 1  -24   14   18 f  172.073   10.417 12283.15  1448.62 13720.69  3077.88 11874.10  1641.83  175.734   22.056  168.556   12.076 7.178238 25.14582 
1 1 1  -24   14   19 o  162.783   10.453 11053.67  1374.30 11694.97  3077.85 10893.97  1535.92  158.428   24.735  160.997   11.832 -2.569931 27.41910 
1 1 1  -24   14   20 o   84.309   13.949  3105.93  921.520  7128.39  2438.72  2435.91  995.313  120.542   25.701   73.290   17.047 47.25126 30.84090 
1 1 1  -24   14   21 o   83.118   14.079  3062.86  916.268  2894.28  2664.53  3085.47  975.776   76.067   29.747   82.962   15.039 -6.894295 33.33242 
1 1 1  -24   14   22 o   66.582   18.514  2151.07  1037.21 -1179.4910  2853.52  2658.09  1113.36   52.837   25.015   74.039   18.556 -21.20144 31.14608 
1 1 1  -24   14   23 o   69.703   20.719  2587.55  1258.63  2866.98  2654.29  2506.49  1429.57   67.957   28.509   67.406   22.375 0.5503769 36.24141 
1 1 1  -24   14   24 o   56.533   21.647  1872.50  1389.18   0.0000   0.0000  1872.50  1389.18  ?   ?    56.533   21.647 0.000000 21.64687 
1 1 1  -24   14   25 o   92.178   27.137  6973.81  2167.62   0.0000   0.0000  6973.81  2167.62  ?   ?    92.178   27.137 0.000000 27.13682 
1 1 1  -24   16    1 o  562.314   40.711 131942.20 18462.20   0.0000   0.0000 131942.20 18462.20  ?   ?   562.314   40.711 0.000000 40.71128 
1 1 1  -24   16    3 o  443.003   32.005 81335.03 11434.81   0.0000   0.0000 81335.03 11434.81  ?   ?   443.003   32.005 0.000000 32.00491 
1 1 1  -24   16    4 o  727.275   52.174 225735.20 30605.44   0.0000   0.0000 225735.20 30605.44  ?   ?   727.275   52.174 0.000000 52.17438 
1 1 1  -24   16    5 o  300.027   22.598 37105.88  5464.78   0.0000   0.0000 37105.88  5464.78  ?   ?   300.027   22.598 0.000000 22.59826 
1 1 1  -24   16    6 f  292.554   15.931 35037.21  3770.02 34462.70  5480.89 35553.14  5193.91  288.718   23.586  293.629   21.944 -4.910614 32.21499 
1 1 1  -24   16    7 o  205.544   12.532 17277.62  2081.56 17063.07  3137.57 17446.28  2781.94  203.257   19.240  205.960   16.781 -2.702728 25.53020 
1 1 1  -24   16    8 o  531.565   24.680 116481.70 10652.17 142519.30 15225.87 91519.71 14908.04  584.051   32.231  464.010   39.959 120.0404 51.33759 
1 1 1  -24   16    9 o  175.911   11.595 12664.62  1646.84 11891.00  2482.51 13272.63  2200.83  169.382   18.343  179.595   15.236 -10.21320 23.84571 
1 1 1  -24   16   10 o  235.878   12.816 22771.35  2445.43 24105.18  3740.94 21776.08  3231.46  241.526   19.235  229.856   17.444 11.67003 25.96716 
1 1 1  -24   16   11 o  265.254   10.337 28674.54  2226.46 37538.29  4148.78 25089.21  2638.61  302.052   16.985  247.477   13.179 54.57417 21.49808 
1 1 1  -24   16   12 o  186.602   9.4335 14224.37  1424.68 13976.99  2804.95 14310.38  1653.89  183.214   19.138  186.968   10.942 -3.754547 22.04484 
1 1 1  -24   16   13 o  208.569   10.213 17749.35  1729.53 16323.11  3336.91 18273.22  2022.37  197.346   21.154  211.117   11.846 -13.77086 24.24516 
1 1 1  -24   16   14 o  541.253   21.697 122212.60  9535.58 123112.80 16828.12 121786.90 11572.83  525.853   39.705  536.737   26.555 -10.88409 47.76655 
1 1 1  -24   16   15 o  343.163   14.817 48623.07  4128.65 47410.35  7474.54 49155.54  4952.77  330.779   28.096  343.327   17.828 -12.54755 33.27446 
1 1 1  -24   16   16 o   92.819   9.7836  3572.81  726.240  5194.75  1669.44  3194.23  806.557  109.370   19.515   87.304   11.670 22.06607 22.73793 
1 1 1  -24   16   17 o   45.439   14.219  860.551  582.884  1503.43  1949.60  797.446  610.822   66.336   25.582   44.409   14.620 21.92698 29.46548 
1 1 1  -24   16   18 o   85.122   11.531  3068.52  776.446  3867.23  1976.11  2922.70  844.354   90.360   25.708   82.581   13.024 7.779739 28.81857 
1 1 1  -24   16   19 o   61.137   14.170  1651.26  689.674  5019.99  2350.71  1333.98  721.421  100.033   27.892   54.890   15.504 45.14279 31.91164 
1 1 1  -24   16   20 o   80.537   13.529  2845.04  853.337  4197.32  2284.33  2625.72  919.935   89.436   28.175   76.536   15.337 12.89941 32.07920 
1 1 1  -24   16   21 o   40.533   16.281  463.035  818.708  154.446  2259.20  509.687  878.416   54.669   24.528   41.985   16.864 12.68332 29.76621 
1 1 1  -24   16   22 o   47.833   17.748  978.455  917.534  5950.05  2601.40  272.104  980.550   96.780   29.999   40.040   17.085 56.74020 34.52269 
1 1 1  -24   16   23 o   48.751   20.072  992.753  1281.10   0.0000   0.0000  992.753  1281.10  ?   ?    48.751   20.072 0.000000 20.07232 
1 1 1  -24   16   24 o   51.646   20.997  1572.03  1379.73   0.0000   0.0000  1572.03  1379.73  ?   ?    51.646   20.997 0.000000 20.99659 
1 1 1  -24   18    1 o  499.966   25.553 103042.10 10338.88   0.0000   0.0000 103042.10 10338.88  ?   ?   499.966   25.553 0.000000 25.55337 
1 1 1  -24   18    2 f  736.285   37.217 226756.50 22177.44 203835.50 31380.78 249627.50 31346.53  684.641   56.967  763.051   50.886 -78.40918 76.38447 
1 1 1  -24   18    3 o  503.514   25.961 104639.10 10577.64 96812.83 14900.94 112588.70 15017.82  479.529   38.597  518.555   35.888 -39.02618 52.70388 
1 1 1  -24   18    5 o  172.606   18.560 12328.54  2560.34 12328.54  2560.34   0.0000   0.0000  172.606   18.560  ?   ?  0.000000 18.56016 
1 1 1  -24   18    8 o  563.180   40.977 135702.50 18609.43   0.0000   0.0000 135702.50 18609.43  ?   ?   563.180   40.977 0.000000 40.97653 
1 1 1  -24   18   10 o  128.714   8.6593  6774.81  899.736   0.0000   0.0000  6774.81  899.736  ?   ?   128.714   8.6593 0.000000 8.659338 
1 1 1  -24   18   11 o  552.565   26.084 127482.00 11702.77   0.0000   0.0000 127482.00 11702.77  ?   ?   552.565   26.084 0.000000 26.08358 
1 1 1  -24   18   12 o  185.983   11.110 14175.64  1670.03   0.0000   0.0000 14175.64  1670.03  ?   ?   185.983   11.110 0.000000 11.10970 
1 1 1  -24   18   13 o  253.303   11.785 26258.64  2423.79 25471.53  4680.96 26546.99  2833.17  245.454   23.785  253.955   13.791 -8.501251 27.49456 
1 1 1  -24   18   14 o   89.352   8.6867  3289.96  622.260  4611.78  1816.07  3114.14  662.354  102.805   22.390   86.769   9.5599 16.03575 24.34566 
1 1 1  -24   18   15 o  107.805   9.1184  4792.89  790.689  3766.70  2045.19  4973.22  857.354   91.704   26.175  109.713   9.7250 -18.00917 27.92332 
1 1 1  -24   18   16 o  227.633   11.749 21509.01  2164.23 15902.70  4300.20 23410.77  2504.55  185.105   29.609  236.897   13.071 -51.79236 32.36573 
1 1 1  -24   18   17 o  183.565   10.739 14014.98  1593.71 10843.16  3446.77 14877.49  1797.38  150.356   29.286  188.690   11.791 -38.33366 31.57013 
1 1 1  -24   18   18 o   81.925   10.805  2841.91  701.216  2271.89  2204.73  2906.06  739.622   73.073   27.433   82.701   11.311 -9.627983 29.67298 
1 1 1  -24   18   19 o   59.951   13.810  1594.45  658.370 -1351.9960  2223.58  1877.57  689.276   48.581   22.710   65.271   13.453 -16.69002 26.39523 
1 1 1  -24   18   20 f   52.984   16.360  1267.86  774.574  333.081  2443.65  1372.27  816.688   57.873   25.770   54.893   16.774 2.980499 30.74814 
1 1 1  -24   18   21 o   26.530   12.692 -915.6751  774.412 -2037.9800  2514.00 -798.0172  813.993   46.729   22.488   28.190   13.350 18.53821 26.15192 
1 1 1  -24   18   22 o   43.046   19.115  171.944  1335.31   19.551  2968.17  210.613  1495.16   54.758   25.798   45.043   20.099 9.715103 32.70337 
1 1 1  -24   18   23 o  124.626   23.839  9359.37  2324.40   0.0000   0.0000  9359.37  2324.40  ?   ?   124.626   23.839 0.000000 23.83873 
1 1 1  -24   18   24 o   47.576   20.588  1350.64  1462.31   0.0000   0.0000  1350.64  1462.31  ?   ?    47.576   20.588 0.000000 20.58824 
1 1 1  -24   20    1 o  505.517   25.895 105618.60 10593.10   0.0000   0.0000 105618.60 10593.10  ?   ?   505.517   25.895 0.000000 25.89460 
1 1 1  -24   20    2 o  113.652   12.378  5324.68  1123.77   0.0000   0.0000  5324.68  1123.77  ?   ?   113.652   12.378 0.000000 12.37782 
1 1 1  -24   20    3 o  264.813   13.201 28591.46  2838.48 24929.99  5034.08 30298.16  3436.93  244.545   25.739  271.929   15.632 -27.38449 30.11397 
1 1 1  -24   20    4 o  283.158   13.810 32710.10  3175.23 32843.09  5565.78 32645.94  3866.09  281.224   24.623  282.034   16.961 -0.8100586 29.89905 
1 1 1  -24   20    5 o  246.941   14.455 24981.01  2885.71 29611.73  4321.42 21254.34  3876.71  267.896   20.011  226.446   21.336 41.44971 29.25167 
1 1 1  -24   20    6 o  626.738   31.224 164001.30 15889.64 169451.41 22721.31 158784.70 22229.45  626.531   44.962  605.965   45.512 20.56598 63.97638 
1 1 1  -24   20    7 o  397.037   20.738 65038.77  6662.22 67529.05  9656.66 62776.83  9203.29  401.205   29.857  386.896   29.519 14.30890 41.98565 
1 1 1  -24   20    8 o  281.109   24.356 32972.28  5504.35 32972.28  5504.35   0.0000   0.0000  281.109   24.356  ?   ?  0.000000 24.35600 
1 1 1  -24   20    9 o  256.415   23.349 27464.58  4807.92 27464.58  4807.92   0.0000   0.0000  256.415   23.349  ?   ?  0.000000 23.34857 
1 1 1  -24   20   10 o  359.453   29.212 54714.19  8452.30 54714.19  8452.30   0.0000   0.0000  359.453   29.212  ?   ?  0.000000 29.21246 
1 1 1  -24   20   11 o   36.450   10.474  554.385  326.430 -147.5764  1621.98  584.017  333.249   50.213   21.706   37.337   10.534 12.87643 24.12748 
1 1 1  -24   20   12 o  257.689   12.667 27218.25  2650.34 39106.15  4429.65 20589.59  3307.73  306.952   17.850  222.210   18.501 84.74208 25.70812 
1 1 1  -24   20   13 o  182.663   12.396 13768.22  1827.66 13902.11  3367.07 13712.29  2176.16  179.858   23.628  181.648   14.885 -1.789505 27.92550 
1 1 1  -24   20   14 o  128.606   13.392  6912.23  1377.96   0.0000   0.0000  6912.23  1377.96  ?   ?   128.606   13.392 0.000000 13.39237 
1 1 1  -24   20   15 o  213.586   17.447 19429.26  2999.39   0.0000   0.0000 19429.26  2999.39  ?   ?   213.586   17.447 0.000000 17.44738 
1 1 1  -24   20   16 o   36.321   14.370  326.736  628.286   0.0000   0.0000  326.736  628.286  ?   ?    36.321   14.370 0.000000 14.36988 
1 1 1  -24   20   17 o  142.417   14.911  8716.17  1698.67   0.0000   0.0000  8716.17  1698.67  ?   ?   142.417   14.911 0.000000 14.91064 
1 1 1  -24   20   18 o   38.406   15.837  270.155  798.945   0.0000   0.0000  270.155  798.945  ?   ?    38.406   15.837 0.000000 15.83671 
1 1 1  -24   20   19 f   56.765   18.337  1458.82  962.973   0.0000   0.0000  1458.82  962.973  ?   ?    56.765   18.337 0.000000 18.33733 
1 1 1  -24   20   20 f   33.826   16.052 -1114.7010  1188.92   0.0000   0.0000 -1114.7010  1188.92  ?   ?    33.826   16.052 0.000000 16.05243 
1 1 1  -24   22    1 o  602.219   30.739 151472.09 14980.96   0.0000   0.0000 151472.09 14980.96  ?   ?   602.219   30.739 0.000000 30.73941 
1 1 1  -24   22    2 o  376.377   16.780 57973.02  5128.03 63482.66  9188.15 55480.38  6180.10  389.692   29.251  366.838   20.834 22.85397 35.91261 
1 1 1  -24   22    3 f  256.627   13.379 26950.24  2778.18 26371.31  5027.67 27204.71  3333.30  251.397   24.960  257.401   16.028 -6.003693 29.66337 
1 1 1  -24   22    4 o   85.503   12.393  3043.38  835.289  5407.83  1827.09  2418.63  939.180  112.961   20.682   75.502   15.826 37.45943 26.04257 
1 1 1  -24   22    5 o  136.783   12.715  7700.78  1395.95  7531.01  2272.59  7803.65  1769.03  133.536   21.705  137.124   16.201 -3.588684 27.08504 
1 1 1  -24   22    6 o  621.668   30.305 161970.70 15297.19 181941.41 21971.65 143183.91 21310.48  648.557   41.948  571.221   46.346 77.33606 62.51040 
1 1 1  -24   22    7 o  130.171   22.548  7201.85  2296.88  7201.85  2296.88   0.0000   0.0000  130.171   22.548  ?   ?  0.000000 22.54813 
1 1 1  -24   22    8 o  282.214   16.929 32835.47  3861.33 30670.40  5799.45 34559.53  5175.20  269.605   26.850  287.967   22.307 -18.36230 34.90725 
1 1 1  -24   22    9 o  376.866   20.526 58957.58  6257.31 59515.61  9200.27 58477.29  8535.43  373.724   30.587  371.576   28.508 2.147766 41.81199 
1 1 1  -24   22   10 o  543.961   27.995 125496.80 12322.82 130822.70 17791.73 120586.20 17084.01  542.816   40.662  521.015   40.707 21.80139 57.53662 
1 1 1  -24   22   11 o  126.531   9.2569  6570.79  944.447  4003.06  2545.16  6980.83  1017.06   96.176   29.650  130.376   9.6766 -34.20046 31.18891 
1 1 1  -24   22   12 o  335.617   14.783 46581.77  4028.53 46390.76  7713.74 46653.40  4723.94  325.111   29.543  334.249   17.467 -9.137421 34.32051 
1 1 1  -24   22   13 o   67.052   9.9185  1884.03  523.706 -93.9012  2092.39  2016.22  540.923   56.347   24.505   69.420   9.8749 -13.07294 26.42021 
1 1 1  -24   22   14 o   31.487   11.889  302.500  415.347 -1684.6560  2187.83  376.797  423.041   48.534   22.633   33.202   12.096 15.33210 25.66271 
1 1 1  -24   22   15 o  224.395   11.886 21011.46  2157.92 20138.90  4805.26 21231.88  2415.15  206.123   29.557  224.815   13.290 -18.69217 32.40749 
1 1 1  -24   22   16 o   85.268   10.182  3057.87  691.023  1494.89  2748.31  3163.35  713.959   70.717   29.284   86.698   10.346 -15.98071 31.05851 
1 1 1  -24   22   17 o   87.667   11.274  3271.93  783.892  2321.10  2992.76  3341.96  812.250   75.949   30.905   88.504   11.581 -12.55505 33.00389 
1 1 1  -24   22   18 o   82.118   11.777  2910.44  762.773  3364.46  3127.19  2881.72  786.530   80.985   32.053   81.509   12.264 -0.5247803 34.31932 
1 1 1  -24   22   19 o   44.791   15.650  842.249  700.787  2163.43  2670.16  744.514  726.245   69.072   28.756   43.384   15.842 25.68743 32.83055 
1 1 1  -24   22   20 o   92.047   13.454  3820.05  975.841  5872.60  3335.36  3627.90  1020.49   89.056   33.674   88.873   14.652 0.1828232 36.72400 
1 1 1  -24   22   21 o   48.945   19.930  1020.92  1245.51 -4042.2490  3303.16  1860.10  1344.77   44.967   22.425   58.422   21.523 -13.45501 31.08228 
1 1 1  -24   22   22 o   69.054   24.100  3327.28  1661.63   0.0000   0.0000  3327.28  1661.63  ?   ?    69.054   24.100 0.000000 24.09995 
1 1 1  -24   24    1 o  139.476   14.543  8039.30  1622.74   0.0000   0.0000  8039.30  1622.74  ?   ?   139.476   14.543 0.000000 14.54269 
1 1 1  -24   24    2 o  138.176   15.391  7909.72  1697.40   0.0000   0.0000  7909.72  1697.40  ?   ?   138.176   15.391 0.000000 15.39063 
1 1 1  -24   24    3 o  242.490   13.826 24114.08  2710.97 24888.51  5028.17 23796.70  3218.90  243.405   25.837  240.353   16.595 3.051147 30.70720 
1 1 1  -24   24    4 o  205.262   13.094 17284.90  2171.00 15077.18  3986.57 18215.68  2588.50  188.435   26.812  210.355   15.259 -21.92047 30.84963 
1 1 1  -24   24    5 o  383.644   23.138 61245.27  7173.84 64322.16  9938.62 57898.38 10365.52  389.108   31.733  367.181   35.199 21.92740 47.39155 
1 1 1  -24   24    6 o  259.237   16.827 27728.37  3522.87 25911.17  5411.54 29064.88  4640.94  247.295   27.412  264.016   21.845 -16.72050 35.05162 
1 1 1  -24   24    7 o  272.576   16.928 30684.97  3728.02 32779.34  5817.48 29225.56  4856.19  278.629   26.015  264.142   22.868 14.48685 34.63705 
1 1 1  -24   24    8 o  238.909   15.884 23584.16  3063.63 23966.79  4853.54 23330.73  3949.98  237.632   25.556  236.152   20.813 1.479797 32.95894 
1 1 1  -24   24    9 o  147.863   13.836  9058.38  1641.85  9653.13  2874.55  8770.41  2000.23  149.674   24.501  144.635   17.380 5.038879 30.03926 
1 1 1  -24   24   10 o  275.789   17.323 31712.49  3859.47 30753.06  5964.16 32403.70  5062.28  266.041   28.032  276.189   22.777 -10.14841 36.11865 
1 1 1  -24   24   11 o  202.571   14.966 17115.32  2444.22 16594.33  4110.77 17400.24  3039.96  193.952   26.821  202.783   18.673 -8.831253 32.68056 
1 1 1  -24   24   12 o  147.062   8.7828  8895.70  1043.96 12752.35  2999.99  8364.33  1113.55  170.917   22.137  142.384   9.6895 28.53325 24.16483 
1 1 1  -24   24   13 o   99.052   8.9697  4064.11  713.577  1900.21  2555.53  4247.09  743.135   74.234   29.104  101.236   9.1391 -27.00253 30.50485 
1 1 1  -24   24   14 o   66.035   11.289  1858.99  583.568  3721.41  2388.07  1740.71  601.814   88.743   28.894   63.648   12.087 25.09507 31.31987 
1 1 1  -24   24   15 o  101.776   9.2611  4318.16  756.957  4839.39  2468.52  4264.06  795.269   98.611   28.939  100.967   9.8251 -2.355942 30.56122 
1 1 1  -24   24   16 o  156.372   10.759 10275.70  1357.73  9411.57  4042.26 10385.59  1441.47  127.585   36.915  156.890   11.393 -29.30472 38.63315 
1 1 1  -24   24   17 o  136.745   10.631  7910.34  1171.06  5103.56  4080.31  8162.29  1222.49   92.268   36.584  138.754   10.940 -46.48594 38.18423 
1 1 1  -24   24   18 o  108.299   11.728  5071.14  1014.78  6367.62  3538.11  4954.92  1059.29   98.015   35.078  106.624   12.471 -8.608849 37.22880 
1 1 1  -24   24   19 o   38.677   14.929  524.964  664.411  5166.31  3988.52  392.494  673.826   82.494   34.795   36.837   14.780 45.65690 37.80428 
1 1 1  -24   24   20 o   82.820   23.215  3942.92  1623.89 -321.6902  4772.70  4501.26  1726.92   59.233   29.055   88.335   23.620 -29.10117 37.44455 
1 1 1  -24   24   21 o  117.165   25.886  8956.66  2397.05   0.0000   0.0000  8956.66  2397.05  ?   ?   117.165   25.886 0.000000 25.88649 
1 1 1  -24   26    1 o  246.389   26.414 25650.10  5201.88   0.0000   0.0000 25650.10  5201.88  ?   ?   246.389   26.414 0.000000 26.41354 
1 1 1  -24   26    2 o  199.661   27.137 16984.28  4285.42   0.0000   0.0000 16984.28  4285.42  ?   ?   199.661   27.137 0.000000 27.13703 
1 1 1  -24   26    3 o  276.174   20.375 31719.51  4536.65 32186.95  6628.06 31307.49  6222.70  274.384   30.253  271.252   28.689 3.132324 41.69273 
1 1 1  -24   26    4 o  289.785   15.865 34612.34  3718.74 35092.66  6865.44 34412.90  4423.93  286.419   29.964  288.004   19.025 -1.584503 35.49381 
1 1 1  -24   26    5 o  243.438   14.634 24417.30  2879.13 27904.09  5339.65 22988.03  3418.67  256.435   26.004  235.280   18.032 21.15565 31.64474 
1 1 1  -24   26    6 o  259.923   15.126 27888.78  3178.62 32262.00  5876.16 26079.81  3779.28  275.067   26.644  250.214   18.738 24.85306 32.57298 
1 1 1  -24   26    7 o  187.015   15.689 14532.10  2360.40 14779.87  4068.71 14406.42  2897.91  184.176   28.097  185.032   19.586 -0.8553772 34.24996 
1 1 1  -24   26    8 o  319.883   19.356 42939.93  5003.64 45559.15  7768.09 41082.63  6541.40  322.374   30.022  308.633   26.356 13.74011 39.94919 
1 1 1  -24   26    9 o  214.031   16.473 19195.31  2840.77 16830.36  4779.45 20487.19  3532.46  192.559   31.670  219.558   20.035 -26.99829 37.47530 
1 1 1  -24   26   10 o  125.608   15.282  6670.62  1526.53  8807.92  2962.61  5898.05  1781.19  139.437   27.144  116.562   19.509 22.87513 33.42740 
1 1 1  -24   26   11 o   55.137   18.563  1232.52  983.589  1236.58  2240.59  1231.55  1094.71   66.896   26.912   56.033   19.561 10.86293 33.26965 
1 1 1  -24   26   12 o  255.862   12.386 27257.65  2573.24 25006.67  5799.21 27809.50  2871.40  228.165   32.198  257.341   13.792 -29.17517 35.02719 
1 1 1  -24   26   13 o  133.639   8.7660  7389.77  945.928 11003.34  3333.99  7073.42  986.465  151.854   28.074  130.559   9.3677 21.29434 29.59536 
1 1 1  -24   26   14 o   81.768   9.6958  2809.33  631.189  1288.00  2976.81  2880.95  645.875   70.563   29.928   82.788   9.7983 -12.22478 31.49078 
1 1 1  -24   26   15 o   20.378   9.5013 -345.8277  385.254 -3253.1899  2263.47 -259.0892  390.959   42.186   20.545   21.555   9.8786 20.63046 22.79633 
1 1 1  -24   26   16 o  161.934   11.441 11153.37  1494.68  4914.43  4571.54 11900.13  1581.61   90.508   37.648  167.098   11.731 -76.58949 39.43377 
1 1 1  -24   26   17 o  143.265   10.527  8745.93  1216.00 10295.49  4389.45  8617.12  1265.53  119.199   39.190  141.846   11.076 -22.64774 40.72543 
1 1 1  -24   26   18 o   35.222   14.120  349.642  614.479  303.841  3755.37  350.902  622.873   61.962   29.138   35.385   14.205 26.57681 32.41674 
1 1 1  -24   26   19 o   80.227   21.882  3567.42  1464.82  3066.58  4798.30  3618.89  1538.25   67.217   31.999   79.932   22.661 -12.71413 39.21066 
1 1 1  -24   26   20 o   99.549   26.578  6733.77  2188.65   0.0000   0.0000  6733.77  2188.65  ?   ?    99.549   26.578 0.000000 26.57826 
1 1 1  -24   28    1 o  305.756   20.507 39143.65  5061.75   0.0000   0.0000 39143.65  5061.75  ?   ?   305.756   20.507 0.000000 20.50734 
1 1 1  -24   28    2 o  400.916   24.189 68012.67  7837.44   0.0000   0.0000 68012.67  7837.44  ?   ?   400.916   24.189 0.000000 24.18919 
1 1 1  -24   28    3 o  221.896   18.191 20581.83  3248.64   0.0000   0.0000 20581.83  3248.64  ?   ?   221.896   18.191 0.000000 18.19073 
1 1 1  -24   28    4 o  179.343   15.333 13383.31  2211.39 14798.44  4418.31 12910.33  2554.35  182.388   30.941  175.251   18.217 7.136398 35.90508 
1 1 1  -24   28    5 o  384.565   19.416 62093.30  6043.12 67139.43 11006.02 59915.36  7230.58  385.477   35.565  374.584   23.898 10.89313 42.84793 
1 1 1  -24   28    6 o  466.319   22.127 92395.90  8377.95 104665.30 15025.06 86859.91 10092.57  472.923   39.489  445.486   28.045 27.43655 48.43457 
1 1 1  -24   28    7 o  344.910   18.579 50232.63  5184.05 54103.36  9358.24 48518.96  6226.74  343.066   34.045  335.560   22.992 7.505493 41.08149 
1 1 1  -24   28    8 o  269.820   18.912 31000.41  4117.05 30985.71  6726.86 31009.21  5205.96  258.281   32.817  265.840   24.390 -7.558807 40.88791 
1 1 1  -24   28    9 o  184.499   16.842 14480.04  2495.30 14095.21  4591.22 14641.36  2972.67  170.654   34.323  183.703   20.267 -13.04922 39.86008 
1 1 1  -24   28   10 o   51.494   18.684  978.626  1007.92 -491.6330  2790.47  1199.22  1080.89   61.185   27.369   55.259   19.429 5.926258 33.56411 
1 1 1  -24   28   11 o   40.373   16.206  374.328  810.498 -5833.2290  2621.87  1030.20  852.241   40.742   20.263   50.553   17.278 -9.810719 26.62932 
1 1 1  -24   28   12 o   84.928   19.752  3282.02  1336.38  3092.87  3166.08  3323.03  1474.14   83.921   32.534   84.844   21.401 -0.9235992 38.94193 
1 1 1  -24   28   13 o  122.194   10.019  6251.02  985.275 -225.2926  3715.20  6740.96  1021.86   67.906   30.864  126.928   9.9960 -59.02206 32.44227 
1 1 1  -24   28   14 o  150.739   10.148  9540.45  1234.82 13733.28  4495.99  9198.37  1284.21  154.656   36.407  147.686   10.784 6.970779 37.97055 
1 1 1  -24   28   15 o   74.960   10.702  2413.24  632.860 -237.9209  3878.35  2485.77  641.457   65.600   30.437   76.107   10.674 -10.50709 32.25464 
1 1 1  -24   28   16 f  104.587   10.521  4687.73  881.356  8410.01  4422.80  4533.81  899.395  104.448   38.924  102.612   10.965 1.836685 40.43904 
1 1 1  -24   28   17 f   57.201   14.067  1517.98  648.794 -778.5138  4420.01  1568.55  655.898   61.095   29.505   58.168   14.046 2.927242 32.67814 
1 1 1  -24   28   18 o   38.253   17.100   5.0407  1087.52 -1261.5530  4659.79   78.003  1118.40   56.886   28.061   39.256   17.459 17.63029 33.04885 
1 1 1  -24   28   19 o   40.537   18.569   34.207  1379.30  4646.91  4242.06 -511.1030  1458.55   64.465   30.514   38.268   18.046 26.19733 35.45058 
1 1 1  -24   30    1 o   42.602   19.042 -484.3215  1348.08   0.0000   0.0000 -484.3215  1348.08  ?   ?    42.602   19.042 0.000000 19.04214 
1 1 1  -24   30    2 o  119.870   20.211  6234.12  1897.16   0.0000   0.0000  6234.12  1897.16  ?   ?   119.870   20.211 0.000000 20.21085 
1 1 1  -24   30    3 o  290.876   21.379 36285.51  5014.00   0.0000   0.0000 36285.51  5014.00  ?   ?   290.876   21.379 0.000000 21.37921 
1 1 1  -24   30    4 o  357.467   19.948 54495.63  5766.83 63883.74 11192.60 51102.66  6728.71  364.820   38.359  342.116   24.382 22.70377 45.45218 
1 1 1  -24   30    5 o  175.342   16.392 13013.34  2306.71 17463.79  4926.79 11763.88  2610.51  192.978   32.604  165.075   19.876 27.90358 38.18478 
1 1 1  -24   30    6 f  204.966   17.065 17854.51  2814.21 16802.08  5665.14 18199.30  3242.59  182.487   39.388  205.462   19.677 -22.97530 44.02945 
1 1 1  -24   30    7 o  105.582   19.711  4922.09  1627.66  7630.66  4032.53  4394.92  1779.02  122.451   37.243   98.498   22.709 23.95321 43.62014 
1 1 1  -24   30    8 o  123.628   18.193  6664.18  1771.63  6594.44  4283.46  6678.57  1945.86  112.827   38.733  122.814   20.217 -9.986649 43.69133 
1 1 1  -24   30    9 o  146.130   18.672  9353.30  2164.84  8826.89  4765.00  9490.21  2430.11  125.813   40.806  145.767   21.149 -19.95367 45.96125 
1 1 1  -24   30   10 o  178.897   18.856 14084.48  2697.77  9655.39  5357.77 15588.84  3122.50  126.538   43.322  186.638   20.967 -60.10039 48.12929 
1 1 1  -24   30   11 o  169.159   19.078 12742.09  2574.62  9264.72  5395.22 13767.47  2929.72  120.819   43.308  174.206   21.146 -53.38768 48.19466 
1 1 1  -24   30   12 f  183.308   11.817 14216.22  1749.40 12787.45  5748.06 14362.07  1836.52  136.394   44.847  183.895   12.371 -47.50153 46.52241 
1 1 1  -24   30   13 o   42.363   11.237  784.741  392.889  1698.91  3879.57  775.268  394.920   74.309   32.809   42.115   11.310 32.19408 34.70337 
1 1 1  -24   30   14 o  221.973   12.167 21174.47  2184.47 21129.84  6625.04 21179.91  2313.88  162.508   47.328  221.207   12.939 -58.69847 49.06505 
1 1 1  -24   30   15 o  131.551   10.759  7437.67  1139.14  9587.83  5141.45  7326.67  1168.17  103.030   40.998  130.296   11.149 -27.26643 42.48674 
1 1 1  -24   30   16 o   48.474   20.409  736.688  1368.09  7741.16  4956.36  158.996  1423.39   87.255   37.831   44.403   19.725 42.85202 42.66486 
1 1 1  -24   30   17 o   56.377   21.004  1702.11  1287.74  2154.14  4695.99  1665.36  1339.07   62.902   30.387   55.946   21.293 6.955807 37.10437 
1 1 1  -24   30   18 o   35.706   16.924 -636.5040  1313.94 -6726.8452  5855.15 -313.5392  1348.33   48.477   24.776   37.854   17.691 10.62313 30.44420 
1 1 1  -24   32    1 o  269.820   21.890 31805.48  4754.52   0.0000   0.0000 31805.48  4754.52  ?   ?   269.820   21.890 0.000000 21.89042 
1 1 1  -24   32    2 o  102.088   23.890  4754.15  1945.15   0.0000   0.0000  4754.15  1945.15  ?   ?   102.088   23.890 0.000000 23.88969 
1 1 1  -24   32    3 o   95.038   24.613  4157.46  1914.43   0.0000   0.0000  4157.46  1914.43  ?   ?    95.038   24.613 0.000000 24.61303 
1 1 1  -24   32    4 o  175.783   21.412 13636.62  2993.00   0.0000   0.0000 13636.62  2993.00  ?   ?   175.783   21.412 0.000000 21.41211 
1 1 1  -24   32    5 o  137.681   20.346  8384.80  2206.01  1720.92  5448.59  9691.36  2412.60   89.257   39.163  148.016   20.636 -58.75832 44.26699 
1 1 1  -24   32    6 o   94.481   23.107  4125.14  1758.01  7405.65  5041.28  3670.97  1875.76  115.733   41.817   88.556   24.995 27.17698 48.71792 
1 1 1  -24   32    7 o  123.777   21.030  6912.15  2037.98 12941.98  5401.27  5911.21  2200.64  149.550   42.486  112.135   24.825 37.41531 49.20699 
1 1 1  -24   32    8 o  123.176   21.197  6905.88  2043.56  7915.48  5415.41  6738.24  2206.71  114.648   43.003  120.240   23.445 -5.592041 48.97868 
1 1 1  -24   32    9 o   70.710   22.989  2300.38  1511.95  4004.49  4770.09  2110.05  1594.15   91.790   38.342   68.598   23.624 23.19269 45.03612 
1 1 1  -24   32   10 o  129.540   22.081  7856.37  2239.29  7862.71  6241.64  7855.43  2399.00  107.194   44.240  128.080   23.949 -20.88602 50.30610 
1 1 1  -24   32   11 o  102.910   21.332  5034.74  1723.99 -1796.2700  5424.86  5802.12  1818.25   70.531   33.700  110.946   20.952 -40.41489 39.68216 
1 1 1  -24   32   12 o   71.167   24.137  2512.62  1662.96  340.977  5352.41  2744.64  1749.55   73.456   34.618   73.760   24.758 -0.3038635 42.56034 
1 1 1  -24   32   13 o   42.359   11.284  794.856  395.056 -5452.1079  5337.48  829.267  396.142   58.983   29.263   43.254   11.193 15.72870 31.33029 
1 1 1  -24   32   14 o   56.339   11.468  1416.97  506.782 -3347.5940  5703.07  1454.89  508.795   61.269   30.371   57.150   11.365 4.118805 32.42760 
1 1 1  -24   32   15 o   74.764   24.852  3350.42  1763.35  9714.93  6205.73  2791.41  1839.16   83.723   38.724   68.275   25.167 15.44730 46.18405 
1 1 1  -24   32   16 o   87.898   26.163  5126.76  2005.89  874.040  6787.06  5533.77  2099.69   60.181   30.307   90.725   26.708 -30.54478 40.39618 
1 1 1  -24   32   17 o   45.687   19.698  926.905  1328.70  1634.04  5447.38  882.173  1370.08   54.752   27.518   45.513   19.812 9.239071 33.90765 
1 1 1  -24   34    1 o  131.535   26.158  8158.62  2695.41   0.0000   0.0000  8158.62  2695.41  ?   ?   131.535   26.158 0.000000 26.15830 
1 1 1  -24   34    2 o  182.174   24.452 15264.20  3525.56   0.0000   0.0000 15264.20  3525.56  ?   ?   182.174   24.452 0.000000 24.45159 
1 1 1  -24   34    3 o   97.745   27.252  4637.45  2244.12   0.0000   0.0000  4637.45  2244.12  ?   ?    97.745   27.252 0.000000 27.25197 
1 1 1  -24   34    4 f  153.503   24.634 10994.26  2966.48   0.0000   0.0000 10994.26  2966.48  ?   ?   153.503   24.634 0.000000 24.63360 
1 1 1  -24   34    5 o   50.621   21.661  264.530  1584.24   0.0000   0.0000  264.530  1584.24  ?   ?    50.621   21.661 0.000000 21.66082 
1 1 1  -24   34    6 o   66.040   24.545  1813.88  1756.39 -420.5332  6502.37  1989.74  1824.20   82.105   38.524   68.174   25.075 13.93086 45.96599 
1 1 1  -24   34    7 o  100.699   25.837  5021.55  2123.01  9216.08  6951.01  4590.01  2229.54  112.365   46.555   95.272   27.372 17.09361 54.00591 
1 1 1  -24   34    8 o  126.232   24.263  7735.71  2396.51  4077.90  6694.70  8273.33  2566.59   91.496   41.526  129.761   25.269 -38.26519 48.60975 
1 1 1  -24   34    9 o  147.313   23.191 10484.45  2682.24 15064.50  7640.75  9840.72  2864.54  125.688   49.990  139.638   26.228 -13.95018 56.45251 
1 1 1  -24   34   10 o   43.889   19.612 -166.0327  1428.82  2935.16  6228.20 -338.3154  1467.98   82.049   38.238   43.270   19.560 38.77980 42.95010 
1 1 1  -24   34   11 o   39.617   18.371 -722.3649  1410.04  2795.64  6437.38 -899.6600  1445.14   78.531   37.292   39.139   18.300 39.39175 41.54031 
1 1 1  -24   34   12 o   62.623   23.558  1972.99  1627.54  4552.87  7074.07  1828.80  1672.41   78.174   37.646   61.259   23.675 16.91500 44.47155 
1 1 1  -24   34   13 o   50.177   21.764  721.871  1641.61 -10344.0195  7285.98  1313.67  1684.94   56.008   28.540   55.084   22.880 0.9243279 36.57862 
1 1 1  -24   34   14 o   33.983   16.427 -1394.5740  1378.17 -13832.2900  7455.53 -954.5412  1402.33   51.126   26.256   36.318   17.292 14.80811 31.43900 
1 1 1  -24   34   15 o   58.343   24.140  2264.03  1865.27  1490.03  8453.88  2303.64  1912.40   58.069   29.686   58.550   24.352 -0.4809265 38.39653 
1 1 1  -24   36    1 o  136.829   29.983  9635.90  3239.07   0.0000   0.0000  9635.90  3239.07  ?   ?   136.829   29.983 0.000000 29.98252 
1 1 1  -24   36    2 o  104.063   30.915  5777.85  2802.79   0.0000   0.0000  5777.85  2802.79  ?   ?   104.063   30.915 0.000000 30.91515 
1 1 1  -24   36    3 o  169.653   28.067 14436.79  3731.16   0.0000   0.0000 14436.79  3731.16  ?   ?   169.653   28.067 0.000000 28.06731 
1 1 1  -24   36    4 o  172.260   26.836 14757.65  3631.27   0.0000   0.0000 14757.65  3631.27  ?   ?   172.260   26.836 0.000000 26.83595 
1 1 1  -24   36    5 o  186.046   27.027 17410.34  3963.31   0.0000   0.0000 17410.34  3963.31  ?   ?   186.046   27.027 0.000000 27.02677 
1 1 1  -24   36    6 o  170.507   24.886 14397.71  3343.84 16638.48  9781.71 14101.21  3558.20  117.320   51.932  165.712   27.402 -48.39301 58.71836 
1 1 1  -24   36    7 o  139.090   28.153 10297.44  3070.35  8691.47 10005.43 10464.39  3226.00   95.064   45.515  138.458   29.593 -43.39410 54.28941 
1 1 1  -24   36    8 o   81.153   28.247  3695.63  2281.90 17473.53  8320.44  2575.05  2372.88  117.409   49.925   71.188   28.002 46.22102 57.24126 
1 1 1  -24   36    9 o   91.225   28.858  4955.81  2394.44  7532.70  8651.26  4742.04  2491.78   85.598   41.325   88.328   29.548 -2.729919 50.80135 
1 1 1  -24   36   10 o   66.303   25.979  2384.48  2035.35 -2984.7581  9189.99  2661.43  2087.18   68.629   34.649   68.713   26.478 -0.8437347E-01 43.60813 
1 1 1  -24   36   11 f   49.938   22.074  589.740  1761.15 -8803.4707  9178.38  948.799  1794.49   60.747   31.045   52.622   22.789 8.125008 38.51175 
1 1 1  -24   36   12 o  111.789   31.730  9288.54  3014.06 16197.16 12133.70  8834.21  3111.59   72.212   36.800  105.457   32.829 -33.24530 49.31456 
1 1 1  -24   36   13 o   65.597   26.880  3363.94  2283.95  2644.30 10508.64  3399.62  2339.88   59.708   30.689   65.541   27.071 -5.832836 40.92298 
1 1 1  -24   38    1 o  188.362   33.861 20711.39  4988.40   0.0000   0.0000 20711.39  4988.40  ?   ?   188.362   33.861 0.000000 33.86077 
1 1 1  -24   38    2 o  105.675   34.565  7158.80  3416.10   0.0000   0.0000  7158.80  3416.10  ?   ?   105.675   34.565 0.000000 34.56495 
1 1 1  -24   38    3 f  125.798   34.958 10040.25  3699.14   0.0000   0.0000 10040.25  3699.14  ?   ?   125.798   34.958 0.000000 34.95845 
1 1 1  -24   38    4 o  105.964   33.904  7312.43  3297.86   0.0000   0.0000  7312.43  3297.86  ?   ?   105.964   33.904 0.000000 33.90388 
1 1 1  -24   38    5 o   80.522   31.054  4013.54  2872.84   0.0000   0.0000  4013.54  2872.84  ?   ?    80.522   31.054 0.000000 31.05419 
1 1 1  -24   38    6 o   97.598   33.655  6687.88  3235.83   0.0000   0.0000  6687.88  3235.83  ?   ?    97.598   33.655 0.000000 33.65541 
1 1 1  -24   38    7 f   78.029   30.217  4048.42  2728.90  9285.99 11424.62  3731.51  2810.25   79.445   39.918   75.431   30.212 4.014542 50.06197 
1 1 1  -24   38    8 o   75.805   30.034  4053.19  2748.35 -20748.7500 11381.59  5588.93  2832.16   58.832   30.307   87.251   31.367 -28.41981 43.61674 
1 1 1  -24   38    9 o   72.002   28.888  3770.78  2574.23 -9772.0576 11829.66  4443.95  2637.43   61.128   31.461   76.709   29.707 -15.58062 43.26983 
1 1 1  -24   38   10 o   78.825   30.538  5353.01  2788.01  6253.01 12338.25  5304.58  2862.03   64.206   32.996   77.715   30.694 -13.50865 45.06502 
1 1 1  -24   40    1 o   74.052   32.428  4006.68  3719.72   0.0000   0.0000  4006.68  3719.72  ?   ?    74.052   32.428 0.000000 32.42827 
1 1 1  -24   40    2 o   52.979   25.080 -450.7203  2867.54   0.0000   0.0000 -450.7203  2867.54  ?   ?    52.979   25.080 0.000000 25.08006 
1 1 1  -24   40    3 o   40.920   20.326 -3864.6240  2606.72   0.0000   0.0000 -3864.6240  2606.72  ?   ?    40.920   20.326 0.000000 20.32633 
1 1 1  -24   40    4 o   52.757   25.106 -354.0172  2948.02   0.0000   0.0000 -354.0172  2948.02  ?   ?    52.757   25.106 0.000000 25.10632 
1 1 1  -24   40    5 o   62.889   28.488  2355.50  3132.54   0.0000   0.0000  2355.50  3132.54  ?   ?    62.889   28.488 0.000000 28.48792 
1 1 1  -24   40    6 o   59.708   27.408  1981.52  3026.30   0.0000   0.0000  1981.52  3026.30  ?   ?    59.708   27.408 0.000000 27.40819 
1 1 1  -24   40    7 f   68.302   30.544  4579.48  3473.07   0.0000   0.0000  4579.48  3473.07  ?   ?    68.302   30.544 0.000000 30.54441 
1 1 1  -23    1    2 o  605.403   41.984 152085.70 20510.58 152085.70 20510.58   0.0000   0.0000  605.403   41.984  ?   ?  0.000000 41.98428 
1 1 1  -23    1    3 o  278.199   13.838 31476.89  3125.74 35287.09  4445.06 27749.87  4396.27  293.748   18.734  260.073   20.998 33.67462 28.14011 
1 1 1  -23    1    4 o  294.817   11.947 35329.32  2860.00 40237.61  4995.62 32936.22  3488.22  313.693   19.713  284.149   15.174 29.54337 24.87689 
1 1 1  -23    1    5 o  587.663   19.950 140632.59  9519.20 141728.30 13462.34 139536.91 13462.03  589.062   28.146  584.463   28.367 4.599548 39.96134 
1 1 1  -23    1    6 o  100.007   5.0833  4071.66  411.416  4344.40  578.858  3793.25  584.849  103.194   6.9489   96.347   7.5360 6.846802 10.25073 
1 1 1  -23    1    7 o  885.951   29.502 320492.31 21222.85 298008.41 30008.37 342991.91 30018.91  850.362   43.608  914.229   40.439 -63.86658 59.47231 
1 1 1  -23    1    8 o  424.100   20.686 73229.80  7123.34 73695.11 10050.27 72760.09 10097.73  423.832   29.386  421.069   29.726 2.762970 41.79872 
1 1 1  -23    1    9 o  541.146   18.242 119195.70  8015.33 122655.30 11330.91 115730.50 11339.89  548.273   25.452  532.488   26.228 15.78461 36.54752 
1 1 1  -23    1   10 o  831.549   27.763 283091.91 18745.23 282292.41 26504.90 283892.00 26514.62  826.851   39.478  829.225   39.380 -2.374023 55.76134 
1 1 1  -23    1   11 o  580.350   19.555 137607.50  9214.84 145426.20 13027.66 129778.90 13035.84  594.917   26.969  560.850   28.722 34.06720 39.39925 
1 1 1  -23    1   12 o  122.650   9.2621  6153.87  915.589  6427.13  1312.30  5894.69  1278.05  124.893   13.138  119.512   13.401 5.381363 18.76679 
1 1 1  -23    1   13 o  192.139   7.7070 15011.78  1202.36 14035.70  1698.14 15993.06  1702.67  185.271   11.343  197.893   10.635 -12.62206 15.54910 
1 1 1  -23    1   14 o  239.147   9.0534 23278.88  1757.98 22882.01  2481.05 23679.04  2491.31  236.428   12.974  240.548   12.801 -4.120041 18.22600 
1 1 1  -23    1   15 o  314.580   11.433 40374.43  2920.30 40110.77  4126.19 40639.05  4133.68  312.342   16.326  314.416   16.247 -2.074463 23.03316 
1 1 1  -23    1   16 o   58.383   7.8246  1412.31  361.596  1010.11  483.940  1920.67  544.076   48.769   12.240   67.880   10.186 -19.11057 15.92387 
1 1 1  -23    1   17 o   73.157   7.1673  2199.79  420.278  2026.12  595.547  2372.09  593.185   69.596   10.896   75.598   9.9018 -6.001434 14.72330 
1 1 1  -23    1   18 o  228.486   9.1626 21329.47  1699.87 20147.62  2400.93 22517.36  2407.05  220.870   13.452  233.743   12.731 -12.87340 18.52068 
1 1 1  -23    1   19 o   39.295   11.538  647.646  392.300  445.433  497.025  981.792  638.913   36.065   13.115   48.456   14.842 -12.39076 19.80610 
1 1 1  -23    1   20 o  128.589   7.6479  6802.35  794.923  7731.68  1129.12  5889.06  1119.33  136.430   10.268  118.518   11.788 17.91221 15.63286 
1 1 1  -23    1   21 o  202.350   8.8176 16910.73  1448.74 16798.89  2039.44 17024.65  2058.34  199.535   12.653  200.857   12.686 -1.322006 17.91774 
1 1 1  -23    1   22 f  127.144   8.3364  6721.30  855.857  7417.76  1198.91  5997.57  1222.16  132.344   11.264  118.116   12.956 14.22818 17.16785 
1 1 1  -23    1   23 o  166.293   8.6614 11571.82  1165.46 10502.68  1668.33 12590.89  1628.80  155.255   13.364  171.352   11.778 -16.09781 17.81401 
1 1 1  -23    1   24 o  104.208   9.1346  4623.27  765.113  4412.77  1034.53  4877.42  1136.75   99.414   13.138  104.122   13.785 -4.708824 19.04260 
1 1 1  -23    1   25 o   42.009   13.375  813.776  513.742  766.108  693.551  871.731  764.737   41.982   15.458   44.141   16.235 -2.159340 22.41716 
1 1 1  -23    1   26 o   42.781   13.304  898.323  511.138  638.686  681.135  1233.00  773.327   38.481   15.042   48.224   16.459 -9.742691 22.29731 
1 1 1  -23    3    1 o  380.079   26.853 59335.04  8233.88 59335.04  8233.88   0.0000   0.0000  380.079   26.853  ?   ?  0.000000 26.85321 
1 1 1  -23    3    2 f  545.655   26.310 121646.60 11656.75 122173.10 16526.25 121125.40 16444.32  543.786   37.661  541.442   37.639 2.344177 53.24475 
1 1 1  -23    3    3 o  306.677   15.623 38362.50  3877.32 35241.57  5510.16 41423.44  5456.95  293.020   23.353  318.103   21.250 -25.08273 31.57413 
1 1 1  -23    3    4 o   69.595   6.6433  1985.02  370.844  1573.28  532.988  2371.40  516.314   61.275   11.122   75.929   8.5218 -14.65399 14.01168 
1 1 1  -23    3    5 o  561.955   22.104 128671.70 10086.00 120809.90 17505.01 132578.70 12340.26  540.842   40.148  569.954   26.665 -29.11243 48.19642 
1 1 1  -23    3    6 o  633.851   24.672 163794.80 12697.98 172269.91 22023.41 159574.50 15541.26  646.120   42.211  624.925   30.628 21.19495 52.15219 
1 1 1  -23    3    7 o  884.601   34.777 320196.00 24979.01 320667.31 30585.88 319252.19 43284.82  883.515   42.635  874.108   61.375 9.406311 74.73081 
1 1 1  -23    3    8 o  853.846   33.147 298195.19 22980.38 289074.50 39746.11 302775.31 28165.34  832.005   59.221  858.836   40.389 -26.83099 71.68270 
1 1 1  -23    3    9 o  230.046   8.4796 21497.74  1583.91 20022.18  2228.92 23002.97  2251.21  221.588   12.439  237.902   11.654 -16.31389 17.04513 
1 1 1  -23    3   10 o  652.889   21.891 174027.50 11604.75 178453.70 16402.04 169590.91 16421.16  659.378   30.636  642.602   31.472 16.77576 43.92057 
1 1 1  -23    3   11 o  712.940   24.160 208472.80 13986.07 219479.09 19768.34 197442.09 19790.28  728.140   33.436  688.927   35.499 39.21271 48.76653 
1 1 1  -23    3   12 o  598.194   23.839 147219.91 11578.86 147661.91 14168.21 146331.30 20091.92  597.112   29.223  586.695   42.464 10.41656 51.54728 
1 1 1  -23    3   13 o  353.810   12.449 51037.15  3576.33 48373.11  5045.54 53727.04  5069.94  343.167   18.172  362.314   17.234 -19.14703 25.04478 
1 1 1  -23    3   14 o  616.382   21.263 156486.30 10641.97 150109.50 15037.61 162884.20 15062.47  598.121   31.071  624.616   29.699 -26.49512 42.98168 
1 1 1  -23    3   15 o   61.247   7.0118  1545.68  342.419  1209.75  470.629  1923.54  499.134   53.468   11.199   68.101   9.2674 -14.63207 14.53632 
1 1 1  -23    3   16 o  140.172   6.7734  7993.81  770.911  8146.46  1073.28  7831.11  1108.02  141.053   9.4254  138.217   9.9393 2.835907 13.69774 
1 1 1  -23    3   17 o  213.534   8.7179 18591.88  1511.54 17795.51  2130.68 19398.76  2144.67  208.036   12.674  217.334   12.203 -9.298904 17.59368 
1 1 1  -23    3   18 o  174.559   7.7608 12428.82  1099.99 12907.22  1549.71 11943.06  1561.59  177.173   10.824  170.292   11.359 6.881485 15.69048 
1 1 1  -23    3   19 o   34.432   10.479  489.935  319.192  958.805  407.038 -258.8577  514.386   47.343   10.824   25.760   11.618 21.58282 15.87890 
1 1 1  -23    3   20 o  101.116   7.6119  4215.32  620.372  4642.79  834.933  3688.46  926.938  105.624   9.8489   93.291   12.556 12.33327 15.95769 
1 1 1  -23    3   21 o  105.562   7.9020  4612.52  672.389  5225.79  917.698  3901.69  987.990  111.702   10.232   95.414   13.098 16.28867 16.62094 
1 1 1  -23    3   22 o   92.265   8.4968  3557.03  629.399  3509.56  851.560  3614.19  934.406   90.447   11.883   91.361   12.959 -0.9135208 17.58263 
1 1 1  -23    3   23 o   32.717   12.213  368.898  435.789   73.552  544.744  893.913  726.295   30.168   12.799   46.020   15.940 -15.85196 20.44302 
1 1 1  -23    3   24 o   32.970   12.185  399.652  431.674  282.913  539.300  607.817  720.155   32.811   13.202   40.647   15.581 -7.836552 20.42168 
1 1 1  -23    3   25 o   72.180   10.718  2324.15  609.098  2219.29  770.717  2498.59  994.089   68.177   14.375   69.961   17.534 -1.784454 22.67367 
1 1 1  -23    3   26 o   39.541   13.003  752.292  483.198  512.013  595.132  1217.08  827.719   35.664   14.025   47.658   16.976 -11.99426 22.01999 
1 1 1  -23    5    2 o  300.659   15.257 36862.34  3712.34 37975.88  5250.03 35748.79  5250.05  304.543   21.367  295.348   22.051 9.194794 30.70484 
1 1 1  -23    5    3 o  335.177   16.689 45708.85  4541.84 42760.42  6418.43 48665.90  6427.83  322.843   24.672  344.743   23.097 -21.89996 33.79568 
1 1 1  -23    5    4 o  256.553   13.336 26828.84  2768.55 25307.39  3911.52 28356.21  3919.12  248.561   19.538  263.312   18.447 -14.75182 26.87099 
1 1 1  -23    5    5 o  503.746   20.597 103326.30  8424.65 84868.72 14621.21 112499.80 10307.75  452.958   40.171  525.341   24.165 -72.38287 46.87940 
1 1 1  -23    5    6 o  767.462   30.438 240582.20 18967.56 210633.00 32880.17 255519.41 23220.75  710.430   57.493  789.936   36.203 -79.50555 67.94182 
1 1 1  -23    5    7 f  1265.86   49.843 661055.00 51230.80 620130.69 88759.16 681500.00 62735.90  1200.58   91.745  1280.57   60.336 -79.98584 109.8072 
1 1 1  -23    5    8 o  413.998   20.477 69791.67  6883.23   0.0000   0.0000 69791.67  6883.23  ?   ?   413.998   20.477 0.000000 20.47651 
1 1 1  -23    5    9 o  342.072   11.776 47565.15  3270.74 49647.33  4610.79 45456.12  4640.41  349.281   16.258  333.728   17.183 15.55365 23.65537 
1 1 1  -23    5   10 o  440.993   15.392 79204.55  5511.55 84226.19  7778.60 74141.59  7810.52  454.127   21.095  425.283   22.701 28.84464 30.98915 
1 1 1  -23    5   11 o  491.566   19.621 98836.07  7831.54 103317.30 13586.57 96606.30  9583.92  497.883   33.808  484.401   24.446 13.48199 41.72062 
1 1 1  -23    5   12 o  776.608   30.693 250507.59 19354.47 248737.00 23693.76 254058.09 33552.78  769.297   37.932  762.214   54.575 7.082886 66.46259 
1 1 1  -23    5   13 o  729.363   24.839 219745.09 14710.18 218275.59 20786.39 221219.41 20820.34  720.476   35.532  725.449   35.346 -4.972839 50.11869 
1 1 1  -23    5   14 o  246.091   9.1158 24654.80  1821.50 24739.94  2559.57 24567.45  2592.74  245.848   12.867  244.954   13.083 0.8947296 18.35006 
1 1 1  -23    5   15 o  241.335   9.3103 23727.13  1824.41 24186.32  2559.84 23253.12  2600.85  242.917   13.026  238.085   13.509 4.832535 18.76631 
1 1 1  -23    5   16 o  224.750   8.7618 20582.91  1598.93 21275.89  2238.88 19861.54  2284.27  227.800   12.148  219.946   12.846 7.853348 17.68078 
1 1 1  -23    5   17 f   39.136   10.035  649.308  320.378 -109.6215  416.152  1753.61  501.991   24.608   10.810   64.812   9.8490 -40.20389 14.62360 
1 1 1  -23    5   18 o   89.234   7.5037  3270.57  538.635  2599.87  684.531  4360.96  872.815   78.893   10.984  102.625   10.629 -23.73174 15.28448 
1 1 1  -23    5   19 o   75.057   7.6994  2328.10  462.587  1689.89  592.858  3321.38  739.611   62.934   12.041   89.255   10.400 -26.32157 15.91054 
1 1 1  -23    5   20 o  214.091   8.8067 18868.04  1530.91 18086.75  2146.44 19677.00  2184.11  207.674   12.791  216.816   12.459 -9.142090 17.85609 
1 1 1  -23    5   21 o   86.866   7.9763  3134.18  556.304  2750.26  740.273  3632.27  843.205   80.267   11.703   92.529   11.469 -12.26189 16.38567 
1 1 1  -23    5   22 o  140.980   8.3232  8265.54  948.545  8462.88  1286.98  8030.87  1403.46  141.259   11.316  136.785   12.785 4.473724 17.07311 
1 1 1  -23    5   23 o   61.617   10.429  1646.04  503.177  1233.82  621.407  2431.01  857.504   52.164   14.262   73.138   14.944 -20.97432 20.65775 
1 1 1  -23    5   24 o  101.689   8.9570  4405.94  732.011  3903.01  947.405  5150.94  1153.07   93.418   12.829  106.923   13.588 -13.50467 18.68754 
1 1 1  -23    5   25 o   75.712   10.246  2542.20  613.707  1989.04  750.651  3657.27  1065.77   64.022   14.744   86.563   15.743 -22.54157 21.56960 
1 1 1  -23    5   26 o   50.156   12.916  1244.42  529.194  970.876  602.039  2174.04  1109.85   43.711   14.521   59.538   19.713 -15.82694 24.48360 
1 1 1  -23    7    1 o  1173.86   83.505 589656.31 79072.30   0.0000   0.0000 589656.31 79072.30  ?   ?   1173.86   83.505 0.000000 83.50498 
1 1 1  -23    7    3 o  539.371   25.987 118663.10 11381.11 124124.00 16122.07 113238.20 16068.70  549.248   36.356  524.172   38.013 25.07605 52.59980 
1 1 1  -23    7    4 o  1258.22   89.530 680215.88 90869.77 680215.88 90869.77   0.0000   0.0000  1258.22   89.530  ?   ?  0.000000 89.52987 
1 1 1  -23    7    5 o  1027.24   49.490 435199.31 41278.93 415412.50 58388.55 454970.59 58365.89  992.171   72.990  1040.37   69.493 -48.19562 100.7809 
1 1 1  -23    7    6 o  944.346   38.005 365394.31 29141.58 314463.91 50520.65 390790.19 35674.79  862.852   72.789  974.801   45.072 -111.9485 85.61414 
1 1 1  -23    7    7 o  605.707   24.138 149536.70 11871.22 138572.91 20602.46 154986.09 14524.82  578.792   44.172  616.103   29.035 -37.31067 52.86029 
1 1 1  -23    7    8 o  737.917   36.443 223426.70 21835.48   0.0000   0.0000 223426.70 21835.48  ?   ?   737.917   36.443 0.000000 36.44326 
1 1 1  -23    7    9 o  250.462   10.771 25500.54  2190.37 27095.74  3839.56 24730.94  2666.91  257.198   18.509  246.205   13.391 10.99237 22.84536 
1 1 1  -23    7   10 o  714.063   28.471 209717.70 16507.40 203740.50 28623.24 212696.41 20206.21  692.186   51.293  716.864   34.714 -24.67853 61.93608 
1 1 1  -23    7   11 o  265.575   10.258 28700.00  2212.02 31693.42  3113.29 25648.25  3143.47  278.826   13.751  250.210   15.550 28.61531 20.75797 
1 1 1  -23    7   12 o  439.987   17.512 79214.02  6256.27 78685.17  7654.40 80278.34 10858.74  437.638   21.541  438.397   30.699 -0.7591553 37.50228 
1 1 1  -23    7   13 o  407.624   14.013 67852.15  4637.88 65972.20  6542.82 69750.74  6575.19  400.193   20.201  412.130   19.649 -11.93726 28.18043 
1 1 1  -23    7   14 o  663.112   23.648 182030.20 12732.61 182362.20 17988.50 181696.70 18024.82  656.329   33.870  655.020   34.008 1.309082 47.99691 
1 1 1  -23    7   15 o  800.313   28.030 268617.19 18214.54 272756.50 25740.75 264465.91 25777.78  792.462   40.135  779.357   40.878 13.10583 57.28715 
1 1 1  -23    7   16 o  403.436   13.608 66697.76  4457.61 63116.23  6282.80 70328.08  6325.44  389.918   19.911  412.500   18.886 -22.58203 27.44282 
1 1 1  -23    7   17 o  229.495   8.8749 21490.97  1653.77 20307.92  2313.16 22727.94  2365.27  222.106   12.882  235.116   12.434 -13.00977 17.90366 
1 1 1  -23    7   18 o  134.795   7.0511  7430.85  769.056  6774.76  1034.13  8242.68  1150.34  128.201   10.014  141.471   10.080 -13.27002 14.20886 
1 1 1  -23    7   19 o   77.010   7.5645  2449.78  466.898  2306.85  593.111  2682.67  757.099   74.197   10.108   79.631   12.089 -5.434425 15.75820 
1 1 1  -23    7   20 o  197.276   8.6699 16027.19  1388.76 17025.67  1942.79 14983.90  1985.91  201.741   11.913  188.661   13.044 13.07947 17.66551 
1 1 1  -23    7   21 o   41.253   11.750  733.435  412.605  837.771  473.603  404.846  840.471   43.996   12.608   40.941   16.478 3.055275 20.74853 
1 1 1  -23    7   22 o  200.546   9.0496 16755.62  1473.61 16172.67  2027.81 17407.98  2145.15  194.099   12.941  201.179   13.205 -7.080276 18.48915 
1 1 1  -23    7   23 o  102.122   8.2368  4379.62  677.181  4015.94  853.162  4998.87  1113.29   96.473   11.093  106.556   13.146 -10.08295 17.20135 
1 1 1  -23    7   24 o   48.230   11.309  1048.27  435.188  1427.75  492.502 -303.4608  929.511   56.546   11.123   33.816   15.396 22.72990 18.99363 
1 1 1  -23    7   25 o  109.574   9.8670  5282.33  868.454  4829.56  1047.02  6280.70  1554.76  102.031   12.928  110.672   17.914 -8.640572 22.09167 
1 1 1  -23    7   26 o   55.359   19.279  1897.43  1063.03   0.0000   0.0000  1897.43  1063.03  ?   ?    55.359   19.279 0.000000 19.27863 
1 1 1  -23    9    1 o  1327.64   64.400 734354.19 69423.17 707872.88 98160.55 760855.69 98197.84  1281.47   95.015  1331.65   91.371 -50.17529 131.8203 
1 1 1  -23    9    2 o  866.114   41.611 307881.59 29262.97 309642.31 41467.72 306135.00 41300.96  861.779   59.628  856.817   59.739 4.961731 84.40577 
1 1 1  -23    9    3 o  522.912   25.860 111478.50 10979.90 103559.40 15603.23 119246.50 15453.70  501.260   38.634  538.680   35.531 -37.41980 52.48886 
1 1 1  -23    9    4 o  553.643   27.505 125026.50 12364.60 106430.50 17537.58 143406.20 17435.24  507.358   42.975  590.790   36.525 -83.43250 56.39991 
1 1 1  -23    9    5 o  352.999   17.864 50819.73  5103.45 48004.06  7256.61 53575.30  7178.74  342.118   26.325  361.754   24.586 -19.63660 36.02021 
1 1 1  -23    9    6 o  1250.53   60.886 650733.81 61823.39 622102.31 87466.17 679320.12 87396.84  1202.52   90.238  1260.11   85.930 -57.59216 124.6069 
1 1 1  -23    9    7 o  216.165   8.8834 18982.18  1559.21 26827.93  2789.91 15418.54  1880.27  256.532   13.441  194.404   11.970 62.12772 17.99814 
1 1 1  -23    9    8 o  1080.33   53.494 487615.41 46924.83   0.0000   0.0000 487615.41 46924.83  ?   ?   1080.33   53.494 0.000000 53.49412 
1 1 1  -23    9    9 o  135.530   6.9729  7482.28  764.739 12434.48  1424.43  5476.88  906.450  174.589   10.091  115.660   9.7429 58.92969 14.02695 
1 1 1  -23    9   10 o  284.165   12.030 32876.98  2775.64 37102.45  4883.17 30860.17  3373.63  300.444   20.134  274.665   15.186 25.77936 25.21857 
1 1 1  -23    9   11 f  402.443   15.956 66156.38  5213.84 76163.84  9096.63 61260.39  6362.67  428.822   26.252  386.003   20.373 42.81906 33.22976 
1 1 1  -23    9   12 o  532.739   21.564 116698.30  9328.02 105107.20 16217.92 122428.50 11402.96  496.242   40.605  544.176   25.807 -47.93408 48.11243 
1 1 1  -23    9   13 o  125.154   7.6863  6395.09  777.310  5389.78  1390.51  6852.04  937.467  113.769   15.452  129.439   8.9752 -15.66946 17.86984 
1 1 1  -23    9   14 o  190.037   8.0327 14697.51  1239.48 14927.41  1726.03 14452.71  1781.04  190.978   11.180  187.828   11.737 3.149673 16.20925 
1 1 1  -23    9   15 o   62.634   6.8089  1614.76  340.701  1977.17  412.203  833.329  605.279   69.304   7.4417   45.555   14.519 23.74881 16.31544 
1 1 1  -23    9   16 o   93.137   6.4823  3546.78  487.162  4290.48  641.625  2534.48  748.576  102.339   7.7797   77.771   12.261 24.56829 14.52050 
1 1 1  -23    9   17 f   96.382   6.4668  3799.69  503.152  3396.85  665.570  4336.95  768.635   90.742   9.1586  102.618   9.3266 -11.87594 13.07157 
1 1 1  -23    9   18 o   34.034   10.010  483.143  295.050  707.895  343.359 -151.2627  576.874   40.744   10.357   28.822   12.692 11.92287 16.38126 
1 1 1  -23    9   19 o   74.961   7.5426  2324.19  452.854  2539.59  569.496  1953.76  746.828   78.067   9.1584   67.145   14.145 10.92204 16.85098 
1 1 1  -23    9   20 o   55.035   7.4997  1266.04  326.408  1257.16  378.873  1291.59  642.889   54.541   8.8593   54.284   14.363 0.2568512 16.87547 
1 1 1  -23    9   21 o  153.465   8.0042  9749.71  993.933  8464.82  1349.31 11274.00  1469.65  141.325   11.868  163.622   11.128 -22.29700 16.26948 
1 1 1  -23    9   22 o   32.724   11.687  400.409  392.523  847.005  442.421 -1251.1720  850.801   43.876   12.050   26.618   12.877 17.25836 17.63528 
1 1 1  -23    9   23 f  113.029   8.5950  5386.46  782.903  5717.15  1003.78  4872.85  1250.97  115.226   10.857  103.446   15.360 11.77955 18.80935 
1 1 1  -23    9   24 o  135.224   9.7624  7888.43  1064.68  7235.34  1331.47  9046.49  1772.99  126.518   13.153  138.247   16.096 -11.72987 20.78689 
1 1 1  -23    9   25 o   78.441   9.5879  2725.66  597.954  2652.74  689.269  2947.45  1202.15   76.025   11.527   72.162   19.881 3.863197 22.98148 
1 1 1  -23   11    1 o  785.243   30.691 251725.41 19568.58 244621.50 33946.93 255260.70 23947.79  767.597   54.827  789.688   37.348 -22.09113 66.33945 
1 1 1  -23   11    2 o  432.140   21.878 76226.57  7651.46 72473.88 10914.53 79853.05 10729.44  419.987   32.252  441.287   30.125 -21.30026 44.13270 
1 1 1  -23   11    3 o  150.816   10.041  9280.96  1222.58  7540.86  1798.94 10774.49  1666.62  135.142   16.753  162.328   12.747 -27.18599 21.05135 
1 1 1  -23   11    4 o  588.815   29.234 141532.50 13976.88 128068.60 19852.85 154764.00 19680.86  556.439   44.308  613.051   39.752 -56.61237 59.52641 
1 1 1  -23   11    5 f  282.811   15.365 32621.09  3515.14 25892.39  5038.36 39002.36  4906.57  250.751   25.083  308.909   19.664 -58.15761 31.87187 
1 1 1  -23   11    6 o  166.863   10.243 11356.15  1381.08 10297.99  2005.72 12310.21  1904.50  158.319   15.814  173.466   13.631 -15.14694 20.87833 
1 1 1  -23   11    7 o  708.079   49.530 209744.20 28297.30   0.0000   0.0000 209744.20 28297.30  ?   ?   708.079   49.530 0.000000 49.53006 
1 1 1  -23   11    8 o  500.225   19.639 102146.90  7976.57 111524.10 13934.71 97576.76  9728.03  519.025   33.240  487.531   24.655 31.49435 41.38523 
1 1 1  -23   11    9 o  336.405   13.652 46106.77  3728.99 52544.57  6578.05 43058.27  4526.59  357.297   22.793  324.302   17.252 32.99557 28.58602 
1 1 1  -23   11   10 o  103.234   7.2438  4353.16  603.351  2998.17  1200.75  4810.82  697.847   84.025   18.132  108.485   7.9783 -24.46014 19.80946 
1 1 1  -23   11   11 o  625.873   30.232 162834.91 15363.68 171120.50 21838.08 154715.00 21618.62  633.036   42.736  600.447   44.662 32.58881 61.81472 
1 1 1  -23   11   12 o  456.163   18.693 85365.41  6923.54 80091.05 12108.65 87927.41  8439.18  435.204   34.550  461.882   22.503 -26.67740 41.23207 
1 1 1  -23   11   13 o  276.930   12.102 31294.64  2721.15 28844.10  4825.05 32437.56  3295.17  263.229   22.800  281.268   14.478 -18.03928 27.00839 
1 1 1  -23   11   14 o  161.606   8.6631 10666.02  1132.63 10804.07  2124.20 10611.18  1338.82  161.426   16.436  160.992   10.296 0.4337921 19.39406 
1 1 1  -23   11   15 o  102.355   8.0072  4292.58  660.163  3733.80  1276.44  4496.61  771.334   93.763   17.407  104.629   9.1719 -10.86642 19.67554 
1 1 1  -23   11   16 o  390.866   16.324 63041.53  5180.62 61121.09  9134.00 63952.30  6290.26  376.634   30.120  391.710   19.842 -15.07516 36.06802 
1 1 1  -23   11   17 o  249.526   11.767 25578.54  2384.17 24359.89  4284.50 26125.17  2869.48  238.978   22.339  251.152   14.128 -12.17430 26.43223 
1 1 1  -23   11   18 o   30.490   13.022   0.2258  570.638 -1433.9659  1745.65  171.817  603.811   43.410   20.235   33.670   13.812 9.739799 24.49942 
1 1 1  -23   11   19 o  240.204   9.6487 23808.51  1881.86 24552.61  2646.17 23047.09  2676.81  241.707   13.538  233.780   14.169 7.927505 19.59627 
1 1 1  -23   11   20 o  143.167   8.3324  8479.79  964.423 10402.85  1318.47  6266.81  1414.37  157.853   10.344  120.533   14.760 37.31930 18.02386 
1 1 1  -23   11   21 o  110.888   7.8885  5106.34  705.629  5368.85  900.199  4688.02  1136.39  113.001   9.9112  103.865   13.818 9.136002 17.00459 
1 1 1  -23   11   22 o   39.718   11.806  686.315  408.634  795.184  446.723  128.322  1011.35   42.519   12.263   39.980   17.212 2.539505 21.13337 
1 1 1  -23   11   23 f   90.582   8.7264  3484.16  633.884  3111.61  742.583  4484.65  1216.91   84.430   11.101   98.461   15.753 -14.03107 19.27116 
1 1 1  -23   11   24 o   61.729   10.737  1704.24  518.619  1491.00  554.139  3209.42  1472.24   56.839   12.359   75.005   22.434 -18.16564 25.61335 
1 1 1  -23   11   25 o   22.292   9.5803   28.921  312.322  153.732  328.620 -1136.5389  1004.19   25.072   10.226   28.541   13.850 -3.468237 17.21619 
1 1 1  -23   13    1 o  661.379   26.847 178445.20 14417.09 153206.50 25041.85 190958.09 17632.41  606.920   51.296  683.516   31.771 -76.59619 60.33772 
1 1 1  -23   13    2 o  836.156   33.274 286026.50 22590.86 262061.00 39158.70 297981.50 27657.38  790.935   61.457  852.013   39.979 -61.07782 73.31625 
1 1 1  -23   13    3 o  790.138   38.989 256315.41 25013.90 235829.20 35480.08 276560.69 35270.84  750.532   58.688  815.085   53.592 -64.55322 79.47575 
1 1 1  -23   13    4 o  387.825   20.117 61429.60  6312.97 55035.30  9023.10 67560.94  8835.62  365.513   30.687  405.846   26.966 -40.33322 40.85150 
1 1 1  -23   13    5 o  803.920   39.645 266394.81 25878.23 248349.41 36695.53 284248.31 36499.94  767.016   59.384  823.080   54.930 -56.06403 80.89376 
1 1 1  -23   13    6 o  176.797   10.841 12755.73  1548.79 13020.44  2293.07 12533.67  2100.24  178.092   16.029  174.834   14.938 3.257263 21.91077 
1 1 1  -23   13    7 o  549.167   26.574 123783.10 11849.49 131053.40 16847.56 116665.90 16669.29  561.002   37.197  528.466   39.125 32.53558 53.98514 
1 1 1  -23   13    8 o  674.760   32.439 188648.41 17772.54 203735.09 25223.89 173774.50 25045.40  693.488   45.040  638.002   48.715 55.48590 66.34538 
1 1 1  -23   13    9 o  142.737   8.7155  8316.65  1005.26  3423.33  1941.39 10109.31  1175.06   89.972   25.440  157.376   9.2361 -67.40385 27.06504 
1 1 1  -23   13   10 f  284.377   12.997 32973.88  3001.17 24375.51  5373.12 36872.77  3618.17  241.114   27.964  300.525   14.828 -59.41043 31.65224 
1 1 1  -23   13   11 o  143.417   7.7359  8389.18  897.510  9293.02  1747.24  8065.21  1046.07  150.150   14.512  140.473   9.2225 9.677109 17.19488 
1 1 1  -23   13   12 o   15.293   7.3834 -441.0141  276.242  1040.61  726.486 -691.4444  298.677   50.676   15.877   14.163   7.0079 36.51283 17.35481 
1 1 1  -23   13   13 o  459.028   18.991 86747.34  7078.38 78450.68 12429.45 90729.52  8611.15  427.533   36.144  468.073   22.657 -40.54016 42.65820 
1 1 1  -23   13   14 o  217.674   10.335 19330.72  1826.69 17926.29  3359.67 19920.15  2176.51  207.265   20.221  220.424   12.208 -13.15948 23.62049 
1 1 1  -23   13   15 o  541.258   22.222 122194.10  9766.18 117595.80 17116.36 124413.60 11891.92  513.122   41.436  542.729   26.986 -29.60730 49.44820 
1 1 1  -23   13   16 o  196.751   9.6110 15822.29  1535.41 19352.22  2857.78 14389.82  1820.49  215.613   16.448  186.897   12.061 28.71600 20.39569 
1 1 1  -23   13   17 o   22.207   10.289 -371.6938  440.841 -737.4094  1052.19 -293.8276  485.509   35.050   16.116   24.501   11.144 10.54856 19.59356 
1 1 1  -23   13   18 o   37.280   14.036  438.714  577.951  3306.88  1915.78  151.545  606.194   85.138   25.620   33.357   13.778 51.78132 29.09002 
1 1 1  -23   13   19 o  116.191   10.318  5637.70  963.287  7569.38  2204.71  5181.94  1070.91  129.307   21.772  110.779   12.103 18.52841 24.90985 
1 1 1  -23   13   20 o   37.585   14.405  439.594  615.477  2571.81  2249.41  267.046  639.896   75.313   27.820   35.391   14.331 39.92155 31.29402 
1 1 1  -23   13   21 o   27.716   13.228 -991.2321  830.777 -2448.4890  2372.08 -787.4905  886.953   45.612   21.924   30.300   14.221 15.31286 26.13176 
1 1 1  -23   13   22 o   43.326   16.554  682.391  811.336 -493.7562  2280.64  852.809  868.128   51.260   23.627   46.376   17.252 4.884113 29.25555 
1 1 1  -23   13   23 o  175.213   16.427 14395.81  2309.77 20803.40  4336.88 11858.62  2729.01  185.870   29.739  149.707   23.201 36.16386 37.71854 
1 1 1  -23   13   24 o   64.118   23.807  2564.25  1651.52   0.0000   0.0000  2564.25  1651.52  ?   ?    64.118   23.807 0.000000 23.80705 
1 1 1  -23   13   25 f   30.739   14.870 -1006.1440  1134.69   0.0000   0.0000 -1006.1440  1134.69  ?   ?    30.739   14.870 0.000000 14.87016 
1 1 1  -23   15    1 o  619.786   30.735 157440.80 15467.22   0.0000   0.0000 157440.80 15467.22  ?   ?   619.786   30.735 0.000000 30.73494 
1 1 1  -23   15    2 o  863.271   34.494 306372.69 24178.43 306845.91 41939.34 306137.09 29590.88  850.744   61.121  860.217   42.365 -9.473694 74.36783 
1 1 1  -23   15    3 o  175.905   11.588 12636.04  1645.87 12026.05  2449.57 13138.06  2222.23  170.867   17.923  178.986   15.442 -8.118973 23.65776 
1 1 1  -23   15    4 o  485.901   25.163 96904.41  9893.50 83620.27 14111.85 109744.90 13874.23  447.717   39.214  515.131   33.350 -67.41364 51.47752 
1 1 1  -23   15    5 o  564.742   27.952 131035.40 12817.30 129108.40 18244.96 132913.09 18010.13  555.517   40.733  564.149   39.568 -8.631226 56.78714 
1 1 1  -23   15    6 o  466.033   33.299 90375.37 12517.58   0.0000   0.0000 90375.37 12517.58  ?   ?   466.033   33.299 0.000000 33.29929 
1 1 1  -23   15    7 o  184.682   11.480 13938.67  1712.92 13773.23  2557.48 14073.27  2306.74  182.788   17.443  185.078   15.492 -2.289993 23.32989 
1 1 1  -23   15    8 o  527.357   24.929 114541.70 10674.57 133494.50 15227.22 96227.73 14968.36  565.248   33.325  477.054   38.983 88.19400 51.28601 
1 1 1  -23   15    9 o  340.163   14.533 47232.22  4013.96 50189.00  7189.15 45892.98  4838.34  347.770   25.640  334.375   17.885 13.39536 31.26193 
1 1 1  -23   15   10 o  381.529   19.350 59884.08  5974.87 60112.87  8680.23 59678.08  8236.68  379.419   28.381  378.545   26.974 0.8737183 39.15474 
1 1 1  -23   15   11 o  473.840   18.441 92172.92  7095.19 101083.20 12532.56 87969.92  8607.44  490.044   31.666  461.505   22.970 28.53903 39.11988 
1 1 1  -23   15   12 o  464.267   20.733 88934.09  7815.55 69898.04 13774.69 97971.73  9491.20  399.228   43.181  485.939   24.055 -86.71048 49.42948 
1 1 1  -23   15   13 o  338.402   14.538 46925.38  3994.61 42514.32  7182.71 48900.63  4806.50  316.966   28.203  344.823   17.167 -27.85684 33.01709 
1 1 1  -23   15   14 o  424.945   17.607 74499.88  6075.26 71283.16 10793.63 75991.53  7350.10  406.512   32.985  427.662   21.167 -21.14993 39.19236 
1 1 1  -23   15   15 o   37.583   12.454  550.598  442.945 -44.5443  1217.45  641.399  475.535   44.077   18.928   40.049   12.881 4.028198 22.89496 
1 1 1  -23   15   16 o  292.096   13.536 35234.66  3210.41 28698.22  5853.89 38046.25  3839.28  254.902   28.788  302.269   15.697 -47.36771 32.78932 
1 1 1  -23   15   17 o  162.237   9.9522 10867.10  1304.68 12585.34  2848.25 10410.84  1467.71  169.999   21.087  158.340   11.494 11.65894 24.01642 
1 1 1  -23   15   18 o  204.625   10.904 17405.16  1805.14 20405.04  3722.81 16483.04  2064.02  214.578   21.664  198.196   12.896 16.38118 25.21160 
1 1 1  -23   15   19 o   60.131   14.860  1598.96  721.334  1239.71  2174.63  1643.37  764.624   64.393   26.290   60.857   15.447 3.535572 30.49207 
1 1 1  -23   15   20 o  132.788   11.480  7476.26  1225.55  7694.25  2640.61  7416.41  1383.59  123.821   27.024  131.400   13.144 -7.578850 30.05079 
1 1 1  -23   15   21 o   62.277   16.124  1784.86  821.772  1289.40  2205.45  1864.74  885.542   61.989   25.996   63.405   16.896 -1.415615 31.00380 
1 1 1  -23   15   22 o   34.803   15.461 -113.3953  874.647  464.202  2803.82 -175.6615  920.585   58.687   26.727   35.103   15.710 23.58353 31.00214 
1 1 1  -23   15   23 f   48.825   19.357  1016.59  1142.27 -1182.4280  3211.43  1335.09  1222.20   51.853   25.068   52.851   20.288 -0.9983711 32.24935 
1 1 1  -23   15   24 o   45.042   20.298  519.605  1566.56   0.0000   0.0000  519.605  1566.56  ?   ?    45.042   20.298 0.000000 20.29778 
1 1 1  -23   17    3 o  486.868   35.191 98854.60 13818.08   0.0000   0.0000 98854.60 13818.08  ?   ?   486.868   35.191 0.000000 35.19112 
1 1 1  -23   17    4 o  462.224   33.433 89052.30 12463.06   0.0000   0.0000 89052.30 12463.06  ?   ?   462.224   33.433 0.000000 33.43293 
1 1 1  -23   17    5 o  536.336   38.548 120994.00 16675.22   0.0000   0.0000 120994.00 16675.22  ?   ?   536.336   38.548 0.000000 38.54806 
1 1 1  -23   17    6 f  353.994   26.147 51926.04  7462.41   0.0000   0.0000 51926.04  7462.41  ?   ?   353.994   26.147 0.000000 26.14744 
1 1 1  -23   17    7 o  322.577   17.005 42658.05  4438.35 45472.84  6455.33 40134.50  6112.25  331.485   24.150  311.259   24.380 20.22675 34.31586 
1 1 1  -23   17    8 o  215.195   12.669 18945.72  2203.95 21722.27  3325.16 16770.18  2943.37  229.640   17.977  201.558   18.180 28.08145 25.56734 
1 1 1  -23   17    9 o  429.560   32.394 77633.64 11215.54 77633.64 11215.54   0.0000   0.0000  429.560   32.394  ?   ?  0.000000 32.39402 
1 1 1  -23   17   10 o  238.570   11.060 23201.00  2142.43 21278.06  4042.87 23951.86  2526.31  226.021   22.321  241.883   12.910 -15.86220 25.78545 
1 1 1  -23   17   11 o  441.334   18.383 80090.84  6587.68 75986.93 11738.04 81977.80  7959.37  421.941   34.565  445.280   22.014 -23.33847 40.97993 
1 1 1  -23   17   12 o  184.022   8.4929 13791.58  1269.01 17307.86  2566.63 12653.88  1459.93  204.825   15.549  175.845   10.270 28.97977 18.63411 
1 1 1  -23   17   13 o   82.280   8.1128  2784.29  534.955  3982.63  1434.63  2590.76  576.537   96.559   18.975   79.197   9.1330 17.36241 21.05845 
1 1 1  -23   17   14 o  335.230   14.426 46229.76  3926.74 44421.62  7183.42 47000.31  4689.39  321.953   27.750  336.666   17.212 -14.71301 32.65453 
1 1 1  -23   17   15 o  397.675   17.664 65955.88  5703.77 57181.53 10270.19 69869.24  6858.77  354.327   36.206  406.726   20.839 -52.39896 41.77465 
1 1 1  -23   17   16 o  297.108   14.088 36718.45  3398.51 30728.24  6281.90 39197.13  4040.93  259.519   30.387  305.308   16.360 -45.78848 34.51097 
1 1 1  -23   17   17 f   94.292   9.9989  3708.06  753.857  2673.85  2026.26  3874.21  812.158   77.998   26.642   96.260   10.565 -18.26150 28.66036 
1 1 1  -23   17   18 o   28.035   12.274 -96.2904  532.551 -674.1916  1791.28 -40.2581  557.771   47.381   21.495   29.424   12.724 17.95701 24.97875 
1 1 1  -23   17   19 o  125.900   10.543  6663.54  1067.82  8917.32  2996.20  6335.62  1142.87  133.146   28.570  122.281   11.652 10.86517 30.85422 
1 1 1  -23   17   20 o   79.950   13.850  2821.59  866.510  2042.63  2423.60  2935.76  927.839   69.530   27.983   81.244   14.602 -11.71377 31.56354 
1 1 1  -23   17   21 o   93.676   14.176  3925.33  1044.56  1326.75  3248.44  4225.02  1103.15   66.362   29.618   97.083   14.434 -30.72175 32.94795 
1 1 1  -23   17   22 o   35.007   16.623 -1057.1920  1279.02  822.760  3291.49 -1391.5470  1388.11   60.674   28.112   35.060   16.830 25.61401 32.76518 
1 1 1  -23   17   23 o   46.001   19.676  725.545  1306.19   0.0000   0.0000  725.545  1306.19  ?   ?    46.001   19.676 0.000000 19.67580 
1 1 1  -23   17   24 o   53.978   21.782  1916.31  1472.68   0.0000   0.0000  1916.31  1472.68  ?   ?    53.978   21.782 0.000000 21.78164 
1 1 1  -23   19    1 o  280.463   16.234 32216.51  3681.05   0.0000   0.0000 32216.51  3681.05  ?   ?   280.463   16.234 0.000000 16.23376 
1 1 1  -23   19    2 o  818.571   40.782 281734.59 27106.04   0.0000   0.0000 281734.59 27106.04  ?   ?   818.571   40.782 0.000000 40.78226 
1 1 1  -23   19    3 o  419.835   32.626 73654.48 11034.68   0.0000   0.0000 73654.48 11034.68  ?   ?   419.835   32.626 0.000000 32.62630 
1 1 1  -23   19    4 o  274.978   23.588 31312.17  5215.59 31312.17  5215.59   0.0000   0.0000  274.978   23.588  ?   ?  0.000000 23.58807 
1 1 1  -23   19    5 o  182.810   19.520 13845.46  2852.70 13845.46  2852.70   0.0000   0.0000  182.810   19.520  ?   ?  0.000000 19.52027 
1 1 1  -23   19    6 o  215.782   20.552 19279.97  3557.36 19279.97  3557.36   0.0000   0.0000  215.782   20.552  ?   ?  0.000000 20.55197 
1 1 1  -23   19   10 o  454.994   22.019 85642.64  8134.70   0.0000   0.0000 85642.64  8134.70  ?   ?   454.994   22.019 0.000000 22.01899 
1 1 1  -23   19   11 o  371.928   18.923 57194.90  5695.89   0.0000   0.0000 57194.90  5695.89  ?   ?   371.928   18.923 0.000000 18.92341 
1 1 1  -23   19   12 o  184.867   10.863 14006.96  1623.44   0.0000   0.0000 14006.96  1623.44  ?   ?   184.867   10.863 0.000000 10.86303 
1 1 1  -23   19   13 o  377.288   18.979 59265.00  5795.48   0.0000   0.0000 59265.00  5795.48  ?   ?   377.288   18.979 0.000000 18.97872 
1 1 1  -23   19   14 f  448.446   23.351 85690.59  8473.08   0.0000   0.0000 85690.59  8473.08  ?   ?   448.446   23.351 0.000000 23.35056 
1 1 1  -23   19   15 o  263.611   15.129 29072.37  3224.70   0.0000   0.0000 29072.37  3224.70  ?   ?   263.611   15.129 0.000000 15.12899 
1 1 1  -23   19   16 o  112.406   9.7074  5242.78  877.301  3817.86  2413.85  5459.65  941.698   90.659   29.006  114.590   10.229 -23.93137 30.75665 
1 1 1  -23   19   17 o   22.880   10.736 -504.0412  504.938 -607.6937  1910.56 -496.2576  523.554   49.546   22.364   23.521   11.003 26.02502 24.92391 
1 1 1  -23   19   18 o   83.820   11.106  2984.45  737.251  3502.38  2407.73  2930.86  774.450   84.508   29.038   82.802   11.857 1.705353 31.36526 
1 1 1  -23   19   19 o  182.191   11.717 14088.91  1724.20  9886.21  3962.38 15070.56  1915.01  129.079   36.291  187.800   12.632 -58.72102 38.42703 
1 1 1  -23   19   20 o   25.151   11.982 -784.8213  675.165  638.890  2456.15 -901.1951  702.217   59.189   26.121   25.056   12.013 34.13327 28.75043 
1 1 1  -23   19   21 o   59.150   17.128  1680.04  869.928 -3163.0620  2538.37  2324.57  926.006   43.218   21.197   69.867   16.573 -26.64920 26.90728 
1 1 1  -23   19   22 o  128.586   18.884  8361.54  1912.86  8835.12  4095.69  8229.42  2163.30   93.258   36.755  122.679   22.548 -29.42107 43.12010 
1 1 1  -23   19   23 o   82.820   26.902  5116.96  2070.61   0.0000   0.0000  5116.96  2070.61  ?   ?    82.820   26.902 0.000000 26.90171 
1 1 1  -23   21    1 o  434.495   23.064 77867.97  8107.77   0.0000   0.0000 77867.97  8107.77  ?   ?   434.495   23.064 0.000000 23.06409 
1 1 1  -23   21    2 o  391.511   17.322 62704.86  5506.43 58025.82  9743.33 64900.63  6674.55  371.750   32.608  397.125   20.772 -25.37497 38.66208 
1 1 1  -23   21    3 o  194.296   11.942 15441.25  1874.91 14828.46  3342.36 15722.60  2264.80  188.634   22.250  195.745   14.350 -7.110733 26.47603 
1 1 1  -23   21    4 o  206.369   11.993 17416.66  2000.94 18714.09  3558.92 16816.96  2419.58  212.434   20.903  202.380   14.828 10.05482 25.62824 
1 1 1  -23   21    5 o  815.516   40.525 282982.00 26834.70 298068.41 38212.52 268303.19 37692.80  816.092   58.046  770.789   60.718 45.30280 83.99955 
1 1 1  -23   21    6 o  151.920   12.663  9481.51  1547.82  8766.36  2547.80  9899.84  1948.62  144.170   22.499  154.777   15.724 -10.60716 27.44920 
1 1 1  -23   21    7 o  169.203   20.620 11957.72  2774.27 11957.72  2774.27   0.0000   0.0000  169.203   20.620  ?   ?  0.000000 20.61951 
1 1 1  -23   21    8 o  180.347   12.680 13348.40  1845.03 16603.61  2927.10 11202.44  2376.61  200.197   18.206  164.143   18.135 36.05447 25.69687 
1 1 1  -23   21    9 o  579.178   29.439 141412.91 13798.78 146110.70 19800.12 136976.91 19240.73  577.371   42.535  558.766   42.733 18.60468 60.29321 
1 1 1  -23   21   10 o  273.820   25.004 31564.60  5497.79 31564.60  5497.79   0.0000   0.0000  273.820   25.004  ?   ?  0.000000 25.00359 
1 1 1  -23   21   11 o  185.923   12.624 14219.93  1894.50 11529.50  3383.40 15448.74  2286.57  163.602   26.366  193.396   14.671 -29.79422 30.17271 
1 1 1  -23   21   12 o   34.983   11.517  479.008  379.061  2538.38  1858.09  389.578  387.204   78.294   25.486   32.968   11.625 45.32624 28.01232 
1 1 1  -23   21   13 o   93.616   10.807  3641.95  806.384  4270.68  2333.60  3556.70  859.319   97.733   27.982   92.311   11.729 5.421951 30.34070 
1 1 1  -23   21   14 o  254.256   15.417 27095.97  3167.68 27120.61  5259.13 27081.94  3968.25  246.922   26.654  251.811   19.562 -4.889069 33.06185 
1 1 1  -23   21   15 f  273.378   16.893 31800.92  3731.35 29969.44  6059.32 32919.70  4735.81  253.356   30.040  274.403   21.425 -21.04630 36.89752 
1 1 1  -23   21   16 o   59.644   14.837  1562.30  715.559  1767.18  2347.77  1541.31  751.305   70.631   27.831   59.182   15.464 11.44929 31.83831 
1 1 1  -23   21   17 o   48.256   16.258  961.628  754.410   0.0000   0.0000  961.628  754.410  ?   ?    48.256   16.258 0.000000 16.25754 
1 1 1  -23   21   18 o  226.819   20.484 23550.80  3731.89   0.0000   0.0000 23550.80  3731.89  ?   ?   226.819   20.484 0.000000 20.48440 
1 1 1  -23   21   19 o   22.123   10.923 -1482.4821  711.689   0.0000   0.0000 -1482.4821  711.689  ?   ?    22.123   10.923 0.000000 10.92274 
1 1 1  -23   21   20 o  111.342   18.497  5908.80  1613.59   0.0000   0.0000  5908.80  1613.59  ?   ?   111.342   18.497 0.000000 18.49732 
1 1 1  -23   23    1 o  212.703   15.249 18590.14  2616.21   0.0000   0.0000 18590.14  2616.21  ?   ?   212.703   15.249 0.000000 15.24937 
1 1 1  -23   23    2 o  578.910   29.876 140166.00 13995.41   0.0000   0.0000 140166.00 13995.41  ?   ?   578.910   29.876 0.000000 29.87580 
1 1 1  -23   23    3 o  283.547   14.472 32944.08  3320.79 35754.99  5978.28 31689.73  3993.58  292.715   25.405  277.419   17.823 15.29562 31.03378 
1 1 1  -23   23    4 o  523.412   21.274 112916.80  9041.19 123998.80 15860.65 107582.40 11004.13  539.690   36.407  508.030   26.771 31.65979 45.19016 
1 1 1  -23   23    5 o  570.003   23.522 134506.80 10886.62 145924.41 18967.83 128897.90 13294.38  581.677   40.411  554.130   29.655 27.54596 50.12458 
1 1 1  -23   23    6 o  450.954   36.138 87143.54 13120.98 87143.54 13120.98   0.0000   0.0000  450.954   36.138  ?   ?  0.000000 36.13762 
1 1 1  -23   23    7 o  191.673   14.203 15120.24  2194.74 14932.05  3534.51 15238.33  2799.94  188.243   23.646  191.596   18.217 -3.353302 29.84981 
1 1 1  -23   23    8 o  263.496   15.987 28616.62  3404.33 31217.05  5224.29 26697.47  4488.06  272.831   23.822  252.742   22.092 20.08887 32.48873 
1 1 1  -23   23    9 o  173.962   13.367 12470.97  1873.62 15378.86  3083.90 10769.62  2358.89  191.644   20.119  160.466   18.440 31.17773 27.29053 
1 1 1  -23   23   10 o  310.954   18.519 40216.86  4654.47 37662.30  7021.77 42219.03  6216.40  295.434   29.673  315.885   24.426 -20.45108 38.43338 
1 1 1  -23   23   11 f  331.045   14.441 45210.09  3881.62 47061.10  7515.59 44536.71  4533.00  329.367   28.380  327.101   17.127 2.265686 33.14708 
1 1 1  -23   23   12 o   91.909   8.5697  3484.24  632.155  2299.74  2245.52  3586.19  658.799   77.144   27.904   93.215   8.8086 -16.07127 29.26095 
1 1 1  -23   23   13 o  283.029   12.545 33186.78  2882.96 38391.41  5905.34 31558.19  3303.36  295.071   24.880  274.516   14.876 20.55426 28.98789 
1 1 1  -23   23   14 o   72.285   9.8959  2192.67  565.569  4592.28  2229.54  2027.64  584.694   98.930   27.001   69.261   10.745 29.66856 29.06039 
1 1 1  -23   23   15 o  152.856   10.205  9718.39  1259.29  8989.33  3597.51  9820.20  1344.35  132.771   33.400  153.416   10.862 -20.64516 35.12208 
1 1 1  -23   23   16 o   96.338   10.284  3901.99  791.992  5108.94  3095.80  3817.47  819.255   98.711   32.935   95.111   10.800 3.600105 34.66019 
1 1 1  -23   23   17 o   65.972   12.710  1902.97  656.127  2885.77  3125.89  1857.67  671.077   79.359   31.836   65.012   13.164 14.34669 34.44999 
1 1 1  -23   23   18 o   37.696   14.348  476.572  608.027  1090.53  2666.89  442.909  624.473   63.926   27.734   37.409   14.464 26.51699 31.27877 
1 1 1  -23   23   19 o   25.655   11.899 -429.2442  591.956 -164.7285  3488.68 -437.0857  600.667   60.858   28.448   25.816   11.978 35.04226 30.86664 
1 1 1  -23   23   20 o   44.061   18.273  585.492  1072.36  731.128  4008.93  574.268  1112.91   62.264   29.527   44.383   18.528 17.88116 34.85904 
1 1 1  -23   23   21 o   81.410   24.705  4197.69  1775.93   0.0000   0.0000  4197.69  1775.93  ?   ?    81.410   24.705 0.000000 24.70531 
1 1 1  -23   23   22 o   33.611   16.131 -828.6849  1273.79   0.0000   0.0000 -828.6849  1273.79  ?   ?    33.611   16.131 0.000000 16.13119 
1 1 1  -23   25    1 o  437.177   23.947 79482.45  8468.14   0.0000   0.0000 79482.45  8468.14  ?   ?   437.177   23.947 0.000000 23.94677 
1 1 1  -23   25    2 o   46.144   18.404  447.789  1038.25   0.0000   0.0000  447.789  1038.25  ?   ?    46.144   18.404 0.000000 18.40399 
1 1 1  -23   25    3 o  282.554   19.514 33050.97  4449.47 35156.86  6385.71 31063.69  6203.25  288.757   27.571  270.881   28.638 17.87564 39.75252 
1 1 1  -23   25    4 o  362.578   22.498 54689.89  6590.73 54513.37  9283.12 54869.31  9358.74  357.480   32.332  358.566   32.498 -1.085815 45.84165 
1 1 1  -23   25    5 o  118.351   13.887  5811.60  1309.16  7867.90  2630.99  5134.93  1509.27  135.400   24.847  110.438   17.407 24.96155 30.33778 
1 1 1  -23   25    6 o  114.240   15.146  5447.28  1370.32  4541.16  2451.52  5859.04  1652.59  102.220   28.478  117.977   17.806 -15.75653 33.58615 
1 1 1  -23   25    7 o  161.686   15.068 10832.54  1955.44  6994.59  3299.68 12909.99  2427.65  125.459   32.223  176.129   17.195 -50.66940 36.52325 
1 1 1  -23   25    8 o  451.386   24.651 86075.34  9000.50 88353.98 13314.02 84157.59 12214.22  446.648   37.046  438.164   34.613 8.483948 50.70000 
1 1 1  -23   25    9 o   85.913   16.429  3154.12  1104.31  2704.71  2284.76  3291.12  1261.44   82.025   28.280   87.381   18.363 -5.355888 33.71902 
1 1 1  -23   25   10 o  339.191   19.974 48608.75  5476.86 49267.25  8321.10 48105.43  7274.81  332.413   31.194  331.961   27.229 0.4516602 41.40678 
1 1 1  -23   25   11 o   83.840   17.263  3052.55  1136.06  3434.93  2415.84  2943.98  1287.28   88.310   29.076   81.774   19.635 6.535973 35.08497 
1 1 1  -23   25   12 o  219.288   10.106 19807.99  1799.34 31200.82  4362.80 17472.92  1975.15  268.915   20.127  205.060   11.914 63.85529 23.38861 
1 1 1  -23   25   13 o  239.564   12.564 23986.09  2435.43 21390.76  5441.12 24636.31  2723.48  209.674   33.055  242.017   13.918 -32.34285 35.86530 
1 1 1  -23   25   14 o  173.376   10.043 12491.68  1407.75 16409.70  3892.23 11902.01  1509.97  187.280   26.322  168.799   11.078 18.48143 28.55871 
1 1 1  -23   25   15 o  136.134   9.7676  7733.60  1072.49  7453.86  3509.53  7762.41  1126.38  116.905   34.562  136.199   10.261 -19.29396 36.05273 
1 1 1  -23   25   16 o  161.858   10.676 11029.51  1395.20 10202.60  4145.31 11135.15  1481.64  131.009   37.220  162.281   11.315 -31.27133 38.90214 
1 1 1  -23   25   17 o   44.209   14.457  837.729  597.580  3847.01  3123.71  723.414  608.824   83.188   32.298   42.089   14.594 41.09840 35.44162 
1 1 1  -23   25   18 o   42.322   15.725  692.226  720.752  1183.34  3825.25  674.149  733.897   67.474   30.915   42.184   15.829 25.29040 34.73137 
1 1 1  -23   25   19 o   35.992   16.634 -504.2768  1141.42 -4524.5020  3508.15 -28.3033  1207.10   47.250   23.489   40.355   18.030 6.894360 29.61109 
1 1 1  -23   25   20 o   40.367   17.638  295.840  1094.96 -3902.0669  4903.09  516.187  1123.33   51.978   26.121   42.669   18.249 9.308304 31.86428 
1 1 1  -23   25   21 o   51.667   21.990  1575.37  1616.87   0.0000   0.0000  1575.37  1616.87  ?   ?    51.667   21.990 0.000000 21.98963 
1 1 1  -23   27    1 o  230.089   17.191 21926.50  3188.50   0.0000   0.0000 21926.50  3188.50  ?   ?   230.089   17.191 0.000000 17.19095 
1 1 1  -23   27    2 o  332.752   20.913 46130.32  5621.72   0.0000   0.0000 46130.32  5621.72  ?   ?   332.752   20.913 0.000000 20.91341 
1 1 1  -23   27    3 o  322.102   20.391 43224.57  5305.41   0.0000   0.0000 43224.57  5305.41  ?   ?   322.102   20.391 0.000000 20.39083 
1 1 1  -23   27    4 o  245.757   15.453 24952.07  3067.88 23904.60  5772.29 25364.43  3621.77  234.509   31.080  246.972   18.189 -12.46323 36.01126 
1 1 1  -23   27    5 o  122.310   15.288  6254.57  1485.13  3290.27  3006.82  7211.08  1708.01   91.547   32.382  131.195   16.391 -39.64856 36.29445 
1 1 1  -23   27    6 o   88.209   18.378  3349.38  1273.58  3373.90  3080.46  3344.33  1398.72   92.212   32.759   87.829   20.054 4.383629 38.41031 
1 1 1  -23   27    7 o  268.260   18.297 30161.89  3961.65 29750.73  6314.94 30428.73  5087.24  259.379   30.572  266.640   23.746 -7.261139 38.71043 
1 1 1  -23   27    8 o   57.485   18.718  1351.15  1002.18 -874.3948  2249.44  1902.31  1119.42   54.055   24.345   66.520   19.478 -12.46555 31.17776 
1 1 1  -23   27    9 o  109.548   16.751  5134.80  1442.64  4831.68  3043.27  5222.66  1638.42  102.374   32.549  109.714   19.085 -7.340172 37.73180 
1 1 1  -23   27   10 f   61.078   19.077  1591.87  1049.71  4886.79  2586.90  942.388  1148.52  102.128   29.526   52.815   19.805 49.31243 35.55312 
1 1 1  -23   27   11 o  124.582   16.592  6676.08  1636.62  5306.71  3277.34  7131.02  1889.02  104.228   33.844  127.874   18.750 -23.64588 38.69122 
1 1 1  -23   27   12 o  194.767   11.440 15824.70  1801.24 11992.18  4628.43 16508.74  1955.39  150.415   37.910  198.592   12.185 -48.17699 39.82033 
1 1 1  -23   27   13 o   35.582   11.291  521.599  366.322 -1234.2469  2827.35  551.577  369.436   56.928   26.263   36.391   11.309 20.53717 28.59448 
1 1 1  -23   27   14 o  115.757   9.5074  5599.51  885.709  8936.45  3618.34  5386.82  913.500  128.051   34.167  113.341   10.030 14.70971 35.60882 
1 1 1  -23   27   15 o  127.662   10.057  6856.54  1034.05  5138.52  3995.53  6979.87  1070.52   93.859   36.503  128.688   10.332 -34.82909 37.93747 
1 1 1  -23   27   16 o  112.897   10.542  5424.59  955.188  1708.29  4145.13  5632.99  981.605   73.501   33.080  115.018   10.631 -41.51721 34.74627 
1 1 1  -23   27   17 o   56.979   14.446  1493.16  669.277  2900.56  3920.87  1450.92  679.246   74.371   32.902   56.081   14.728 18.28926 36.04778 
1 1 1  -23   27   18 o   86.879   22.419  4070.33  1592.11  8502.08  3942.32  3206.67  1740.34   99.151   36.789   74.624   24.684 24.52629 44.30238 
1 1 1  -23   27   19 o   80.002   22.804  3764.93  1553.35 10034.99  5054.95  3111.11  1632.34   84.750   37.433   70.864   23.914 13.88573 44.41961 
1 1 1  -23   27   20 o   39.578   18.500 -159.2369  1475.50   0.0000   0.0000 -159.2369  1475.50  ?   ?    39.578   18.500 0.000000 18.50047 
1 1 1  -23   29    1 o  323.809   21.272 44297.00  5561.90   0.0000   0.0000 44297.00  5561.90  ?   ?   323.809   21.272 0.000000 21.27248 
1 1 1  -23   29    2 o  253.454   19.426 27043.93  3967.40   0.0000   0.0000 27043.93  3967.40  ?   ?   253.454   19.426 0.000000 19.42613 
1 1 1  -23   29    3 o   85.019   22.318  3173.35  1560.23   0.0000   0.0000  3173.35  1560.23  ?   ?    85.019   22.318 0.000000 22.31806 
1 1 1  -23   29    4 o   32.545   15.047 -738.3438  935.613 -66.9611  2626.76 -835.8973  1001.28   63.316   27.496   33.321   15.462 29.99518 31.54574 
1 1 1  -23   29    5 o  187.496   15.914 14742.54  2399.83 17068.66  4999.65 14046.15  2735.57  192.497   33.186  181.846   18.798 10.65097 38.14013 
1 1 1  -23   29    6 o  263.711   17.299 29313.96  3683.53 27357.79  6979.55 30069.15  4336.66  239.904   37.022  265.290   20.286 -25.38672 42.21551 
1 1 1  -23   29    7 o   87.438   19.729  3375.69  1367.37  3557.17  3344.09  3339.26  1498.35   92.004   33.933   86.549   21.434 5.454666 40.13546 
1 1 1  -23   29    8 o   41.486   17.899 -30.3844  1098.64 -4185.7529  2573.01  896.124  1214.96   44.724   21.808   52.981   20.254 -8.257671 29.76259 
1 1 1  -23   29    9 o   93.237   19.487  3864.05  1427.76  3588.72  3228.73  3930.98  1591.85   90.214   33.329   93.347   21.452 -3.133560 39.63581 
1 1 1  -23   29   10 o   79.908   20.386  2889.20  1326.94  4532.08  3388.90  2591.71  1442.08   96.693   34.359   75.589   22.100 21.10379 40.85320 
1 1 1  -23   29   11 o  100.432   19.924  4553.50  1567.35  1179.64  3704.14  5289.31  1729.84   75.634   32.749  108.165   20.445 -32.53081 38.60685 
1 1 1  -23   29   12 f   70.366   9.3182  2084.89  519.301  445.938  3391.27  2124.24  525.499   68.856   30.524   71.033   9.3374 -2.176758 31.92021 
1 1 1  -23   29   13 o   67.289   9.8063  1922.89  520.031 -95.3734  3486.26  1968.82  525.914   65.913   29.935   68.106   9.7919 -2.192215 31.49571 
1 1 1  -23   29   14 o  220.951   12.461 20873.63  2226.43 15413.41  6155.87 21695.37  2388.09  141.961   46.398  224.630   13.150 -82.66956 48.22569 
1 1 1  -23   29   15 o   57.779   12.154  1479.65  552.114 -1455.5570  4082.45  1534.34  557.233   61.727   29.421   58.895   12.058 2.831451 31.79664 
1 1 1  -23   29   16 o   38.528   13.659  601.770  535.268  645.560  4465.37  601.131  539.155   66.667   31.480   38.559   13.704 28.10782 34.33340 
1 1 1  -23   29   17 o   69.624   23.095  2715.89  1523.10  4010.65  5075.89  2587.77  1596.68   72.216   33.933   67.717   23.625 4.498909 41.34737 
1 1 1  -23   29   18 o   60.682   21.693  2130.37  1352.80  2916.69  4592.17  2055.65  1415.62   63.011   30.341   59.555   22.055 3.455498 37.51007 
1 1 1  -23   29   19 o   34.171   16.540 -1119.0050  1408.70   0.0000   0.0000 -1119.0050  1408.70  ?   ?    34.171   16.540 0.000000 16.53999 
1 1 1  -23   31    1 o  167.102   19.677 12017.25  2618.66   0.0000   0.0000 12017.25  2618.66  ?   ?   167.102   19.677 0.000000 19.67721 
1 1 1  -23   31    2 o  181.979   19.940 14263.20  2898.09   0.0000   0.0000 14263.20  2898.09  ?   ?   181.979   19.940 0.000000 19.93986 
1 1 1  -23   31    3 o  230.656   20.271 22912.84  3757.90   0.0000   0.0000 22912.84  3757.90  ?   ?   230.656   20.271 0.000000 20.27085 
1 1 1  -23   31    4 o  193.684   20.299 16241.40  3144.81   0.0000   0.0000 16241.40  3144.81  ?   ?   193.684   20.299 0.000000 20.29853 
1 1 1  -23   31    5 o  135.879   18.999  8019.68  2038.82  9782.38  5106.26  7685.37  2223.77  135.574   42.030  131.794   21.524 3.779816 47.22063 
1 1 1  -23   31    6 o   58.296   20.859  1315.91  1251.08  1016.02  3410.72  1362.53  1344.81   74.700   31.869   59.658   21.592 15.04212 38.49435 
1 1 1  -23   31    7 o  132.647   19.384  7732.25  2026.10 11635.20  5138.09  7013.61  2204.75  145.663   41.457  124.557   22.634 21.10680 47.23330 
1 1 1  -23   31    8 o  214.654   18.488 20038.36  3190.85 18271.31  6704.94 20555.73  3628.02  175.820   46.320  215.382   21.013 -39.56227 50.86319 
1 1 1  -23   31    9 o  177.377   19.730 13946.34  2793.38  9573.52  5602.40 15393.13  3222.52  125.079   44.206  184.683   21.917 -59.60439 49.34139 
1 1 1  -23   31   10 o   67.446   19.488  2069.19  1127.29 -9106.4277  4625.16  2774.99  1162.34   53.229   26.544   78.127   18.592 -24.89782 32.40713 
1 1 1  -23   31   11 o   72.003   22.279  2433.31  1435.51 -1955.1479  4398.60  2956.43  1518.66   66.068   31.211   78.772   22.579 -12.70313 38.52227 
1 1 1  -23   31   12 o   52.402   10.622  1191.63  436.487 -7655.5942  4434.10  1278.20  438.617   52.652   26.213   54.404   10.306 -1.752090 28.16618 
1 1 1  -23   31   13 o   92.112   9.3916  3586.88  692.595  4882.53  4950.62  3561.01  699.474   88.345   38.056   91.723   9.5311 -3.378342 39.23173 
1 1 1  -23   31   14 o   81.896   10.694  2896.44  694.158 -1018.3080  5012.12  2973.00  700.912   66.027   31.769   83.007   10.645 -16.97986 33.50508 
1 1 1  -23   31   15 o   97.184   10.596  4097.75  822.571  3068.14  5398.68  4122.22  832.289   73.226   34.588   97.417   10.698 -24.19046 36.20501 
1 1 1  -23   31   16 o   28.504   14.024 -1896.0100  1139.01 -4210.7402  4861.50 -1761.5690  1171.62   53.273   26.663   29.592   14.491 23.68028 30.34651 
1 1 1  -23   31   17 o   45.382   19.979  612.693  1428.42 -8127.1831  5824.85  1171.92  1473.41   48.877   24.959   50.103   21.142 -1.225834 32.70935 
1 1 1  -23   33    1 o  157.577   23.571 11191.03  2923.22   0.0000   0.0000 11191.03  2923.22  ?   ?   157.577   23.571 0.000000 23.57107 
1 1 1  -23   33    2 o  253.283   22.649 28507.49  4608.85   0.0000   0.0000 28507.49  4608.85  ?   ?   253.283   22.649 0.000000 22.64932 
1 1 1  -23   33    3 o  144.480   22.881  9423.44  2594.86   0.0000   0.0000  9423.44  2594.86  ?   ?   144.480   22.881 0.000000 22.88136 
1 1 1  -23   33    4 o  260.166   23.159 30392.82  4841.00   0.0000   0.0000 30392.82  4841.00  ?   ?   260.166   23.159 0.000000 23.15851 
1 1 1  -23   33    5 o   54.377   21.545  869.990  1414.27  -1.1507  4854.47  950.785  1478.40   78.257   35.455   55.893   22.065 22.36381 41.76080 
1 1 1  -23   33    6 o   95.302   24.279  4291.54  1884.03 -5967.2310  5239.11  5815.22  2019.10   64.164   31.250  112.043   22.965 -47.87954 38.78106 
1 1 1  -23   33    7 o  125.012   22.372  7212.36  2187.53  9003.87  5565.71  6885.05  2378.99  119.793   43.838  120.202   25.181 -0.4085617 50.55562 
1 1 1  -23   33    8 o   70.435   24.418  2249.30  1704.47  8558.36  5353.28  1537.56  1798.05  115.533   42.869   63.541   24.550 51.99210 49.40110 
1 1 1  -23   33    9 o  126.806   22.206  7552.50  2203.03  6225.38  6229.00  7742.24  2355.26  100.143   42.904  127.293   23.658 -27.14999 48.99451 
1 1 1  -23   33   10 o  146.493   22.584 10220.30  2600.02 13959.90  6710.40  9559.72  2820.32  129.872   48.035  138.339   26.064 -8.466965 54.65055 
1 1 1  -23   33   11 o   53.522   21.822  904.018  1495.85  3949.05  5637.72  673.415  1551.46   85.313   38.470   52.021   21.809 33.29248 44.22208 
1 1 1  -23   33   12 o   54.056   22.476  919.736  1628.29  2321.09  5920.00  805.045  1693.61   77.394   36.453   53.674   22.658 23.71984 42.92149 
1 1 1  -23   33   13 o  102.034   9.8806  4464.56  808.337  1262.63  6723.72  4511.52  814.243   72.318   35.261  102.563   9.9005 -30.24459 36.62455 
1 1 1  -23   33   14 o   52.375   22.009  1045.84  1586.13 -898.8495  6579.45  1165.84  1634.33   64.237   31.972   53.651   22.430 10.58610 39.05508 
1 1 1  -23   33   15 o   57.506   23.270  1830.53  1685.83 -5582.1001  7082.46  2275.74  1735.72   55.918   28.460   61.552   24.026 -5.633991 37.24524 
1 1 1  -23   33   16 o   99.964   28.065  7345.20  2371.41  1048.24  8204.34  7919.25  2477.14   57.159   29.223  103.189   28.583 -46.03074 40.87737 
1 1 1  -23   35    1 o  116.334   27.808  6651.08  2591.01   0.0000   0.0000  6651.08  2591.01  ?   ?   116.334   27.808 0.000000 27.80766 
1 1 1  -23   35    2 o  151.250   25.424 10833.67  3011.57   0.0000   0.0000 10833.67  3011.57  ?   ?   151.250   25.424 0.000000 25.42415 
1 1 1  -23   35    3 o  158.456   25.536 11936.71  3173.82   0.0000   0.0000 11936.71  3173.82  ?   ?   158.456   25.536 0.000000 25.53590 
1 1 1  -23   35    4 o   96.524   28.473  4712.58  2384.20   0.0000   0.0000  4712.58  2384.20  ?   ?    96.524   28.473 0.000000 28.47270 
1 1 1  -23   35    5 o  173.486   25.757 14508.21  3518.07   0.0000   0.0000 14508.21  3518.07  ?   ?   173.486   25.757 0.000000 25.75686 
1 1 1  -23   35    6 o  115.585   26.614  6691.05  2446.09  6084.00  8116.61  6751.69  2565.36   99.405   45.350  115.130   27.765 -15.72563 53.17382 
1 1 1  -23   35    7 o  101.322   27.588  5335.16  2330.77  732.768  7113.72  5888.65  2466.95   82.760   39.272  106.096   28.166 -23.33629 48.32806 
1 1 1  -23   35    8 o   66.443   25.550  1956.90  1940.38  7729.97  7721.40  1567.75  2004.71   98.162   44.569   63.379   25.470 34.78255 51.33337 
1 1 1  -23   35    9 o   80.570   26.823  3470.08  2053.90 12600.02  8393.91  2888.63  2118.29  105.871   47.405   74.593   27.083 31.27834 54.59628 
1 1 1  -23   35   10 o   82.981   26.590  3816.68  2027.88 -2361.4099  7818.47  4262.27  2099.73   71.782   35.579   87.371   26.930 -15.58884 44.62119 
1 1 1  -23   35   11 o  101.297   27.991  6037.29  2378.77  7616.99  8435.93  5900.84  2479.38   83.072   40.274   98.574   29.024 -15.50159 49.64210 
1 1 1  -23   35   12 o   53.866   23.212  1027.81  1842.96 -862.9055  8080.15  1131.56  1892.86   66.635   33.494   54.881   23.585 11.75396 40.96452 
1 1 1  -23   35   13 o   49.304   21.519  793.674  1625.78 13182.57  8591.38  333.559  1655.69   77.175   38.075   46.422   20.899 30.75283 43.43309 
1 1 1  -23   35   14 o   60.079   25.037  2444.83  2027.01 12204.81  9370.71  1965.73  2076.17   66.765   33.852   56.655   24.525 10.10910 41.80220 
1 1 1  -23   37    1 o  118.102   32.884  7881.41  3269.80   0.0000   0.0000  7881.41  3269.80  ?   ?   118.102   32.884 0.000000 32.88401 
1 1 1  -23   37    2 o  117.139   32.766  7789.89  3238.64   0.0000   0.0000  7789.89  3238.64  ?   ?   117.139   32.766 0.000000 32.76639 
1 1 1  -23   37    3 o  101.010   31.902  5820.25  2927.23   0.0000   0.0000  5820.25  2927.23  ?   ?   101.010   31.902 0.000000 31.90224 
1 1 1  -23   37    4 f   49.352   22.788 -786.1603  2135.45   0.0000   0.0000 -786.1603  2135.45  ?   ?    49.352   22.788 0.000000 22.78769 
1 1 1  -23   37    5 o  154.041   30.050 12962.25  3623.55   0.0000   0.0000 12962.25  3623.55  ?   ?   154.041   30.050 0.000000 30.04979 
1 1 1  -23   37    6 o   69.254   28.134  2247.28  2474.75   0.0000   0.0000  2247.28  2474.75  ?   ?    69.254   28.134 0.000000 28.13371 
1 1 1  -23   37    7 o  118.196   31.222  8370.54  3041.06  1009.71 10127.03  9100.09  3188.20   78.859   39.317  122.840   31.738 -43.98129 50.52816 
1 1 1  -23   37    8 o  110.022   31.544  7664.16  2963.69 16713.13 11363.81  7003.76  3069.93   92.599   45.298  102.558   32.700 -9.959045 55.86798 
1 1 1  -23   37    9 o   73.859   28.161  3379.01  2344.75  3499.24  9766.46  3371.66  2415.39   74.088   37.182   73.583   28.447 0.5058212 46.81652 
1 1 1  -23   37   10 o   52.796   23.621  739.466  2079.74 16268.85 10050.27   44.724  2125.75   82.346   40.729   49.411   22.787 32.93583 46.67035 
1 1 1  -23   37   11 o   81.004   29.593  5048.58  2534.66 -4363.0229 11519.98  5527.38  2598.34   61.476   31.609   84.426   30.077 -22.95005 43.63203 
1 1 1  -23   37   12 f   35.242   17.415 -2364.1899  1822.67 -4395.7520 11052.36 -2307.3950  1847.97   57.049   29.411   35.673   17.611 21.37537 34.28002 
1 1 1  -23   39    1 o   73.242   30.601  2969.71  3039.25   0.0000   0.0000  2969.71  3039.25  ?   ?    73.242   30.601 0.000000 30.60091 
1 1 1  -23   39    2 f   34.994   17.590 -5365.7178  2229.28   0.0000   0.0000 -5365.7178  2229.28  ?   ?    34.994   17.590 0.000000 17.58998 
1 1 1  -23   39    3 o   62.551   28.171  1153.19  3012.25   0.0000   0.0000  1153.19  3012.25  ?   ?    62.551   28.171 0.000000 28.17117 
1 1 1  -23   39    4 o   49.928   23.728 -1165.1689  2616.12   0.0000   0.0000 -1165.1689  2616.12  ?   ?    49.928   23.728 0.000000 23.72808 
1 1 1  -23   39    5 o  104.966   35.650  8590.49  3627.83   0.0000   0.0000  8590.49  3627.83  ?   ?   104.966   35.650 0.000000 35.64983 
1 1 1  -23   39    6 o   70.016   29.991  3207.80  3042.59   0.0000   0.0000  3207.80  3042.59  ?   ?    70.016   29.991 0.000000 29.99068 
1 1 1  -23   39    7 o  113.709   37.257 11399.54  3968.22   0.0000   0.0000 11399.54  3968.22  ?   ?   113.709   37.257 0.000000 37.25659 
1 1 1  -23   39    8 o  110.872   36.754 11440.59  3857.69 28867.70 14669.82 10145.95  3998.41   75.373   38.577   98.779   36.971 -23.40582 53.43257 
1 1 1  -23   39    9 o   56.020   25.571  1653.27  2585.37 -9645.8789 13274.20  2098.79  2635.85   57.674   29.852   58.219   26.274 -0.5444832 39.76755 
1 1 1  -23   41    1 o   56.988   27.828 -230.9875  4232.01   0.0000   0.0000 -230.9875  4232.01  ?   ?    56.988   27.828 0.000000 27.82760 
1 1 1  -23   41    2 o   50.137   24.509 -1497.0620  3309.96   0.0000   0.0000 -1497.0620  3309.96  ?   ?    50.137   24.509 0.000000 24.50938 
1 1 1  -23   41    3 o   75.748   33.748  6408.96  4197.41   0.0000   0.0000  6408.96  4197.41  ?   ?    75.748   33.748 0.000000 33.74766 
1 1 1  -23   41    4 o   60.086   28.377  2184.13  3631.38   0.0000   0.0000  2184.13  3631.38  ?   ?    60.086   28.377 0.000000 28.37733 
1 1 1  -22    0    3 o   28.112   9.7335  418.416  200.365   0.0000   0.0000  418.416  200.365   28.112   9.7335   28.112   9.7335 -0.000000 0.000000 
1 1 1  -22    0    4 o  556.657   27.100 127085.00 12182.68 128338.60 17200.56 125823.00 17257.41  556.572   38.484  550.852   39.034 -0.000000 0.000000 
1 1 1  -22    0    5 o  356.566   17.991 52072.13  5178.50 56024.29  7291.33 48049.41  7356.13  368.622   24.612  340.395   27.006 -0.000000 0.000000 
1 1 1  -22    0    6 f  1013.54   70.722 429986.59 57550.95 429986.59 57550.95   0.0000   0.0000  1013.54   70.722  1013.54   70.722 0.000000 0.000000 
1 1 1  -22    0    7 o  1020.95   49.580 429325.31 40879.33 452764.00 57784.64 405842.09 57839.61  1041.83   69.004  983.859   73.339 -0.000000 0.000000 
1 1 1  -22    0    8 f  875.450   60.829 318989.31 42760.30 318989.31 42760.30   0.0000   0.0000  875.450   60.829  875.450   60.829 -0.000000 0.000000 
1 1 1  -22    0    9 o  2072.29  152.559 1903095.00 253502.00   0.0000   0.0000 1903095.00 253502.00  2072.29  152.559  2072.29  152.559 -0.000000 0.000000 
1 1 1  -22    0   10 o  467.276   22.731 89474.86  8578.05 100654.40 12162.79 78410.78 12099.84  494.098   30.585  434.204   34.836 0.000000 0.000000 
1 1 1  -22    0   11 o  958.189   45.602 380428.41 35296.27 311082.31 49883.51 449958.00 49949.47  851.368   73.417  1035.45   59.868 -0.000000 0.000000 
1 1 1  -22    0   12 o  340.792   25.076 48181.67  6852.56   0.0000   0.0000 48181.67  6852.56  340.792   25.076  340.792   25.076 -0.000000 0.000000 
1 1 1  -22    0   13 f   63.423   11.184  1779.38  522.492  1434.38  694.766  2228.51  792.714   51.854   18.201   68.945   16.308 -0.000000 0.000000 
1 1 1  -22    0   14 o   78.848   9.5768  2636.40  589.029  4033.71  927.541  1692.06  762.521   97.350   12.263   57.176   18.568 0.000000 0.000000 
1 1 1  -22    0   15 o  253.771   13.835 26449.65  2831.39 28280.20  3953.41 24521.94  4056.99  261.249   18.863  242.336   20.980 -0.000000 0.000000 
1 1 1  -22    0   16 o  149.857   10.416  9265.46  1253.39 11112.68  1726.63  7207.78  1822.35  163.633   13.193  129.120   18.479 -0.000000 0.000000 
1 1 1  -22    0   17 o  152.892   10.404  9642.18  1277.84  9144.15  1708.05 10275.28  1925.77  147.653   14.573  156.459   15.508 -0.000000 0.000000 
1 1 1  -22    0   18 o   80.334   10.485  2758.11  651.691  2015.80  1035.33  3245.22  838.688   60.469   22.614   86.559   12.743 0.000000 0.000000 
1 1 1  -22    0   19 f   58.702   13.822  1618.94  572.292  1890.26  611.958 -272.7681  1615.88   64.367   13.258   34.375   22.647 -0.000000 0.000000 
1 1 1  -22    0   20 o  185.935   12.087 14329.31  1807.08 12003.77  2300.88 18073.06  2919.34  167.972   17.290  206.973   17.668 -0.000000 0.000000 
1 1 1  -22    0   21 o  306.046   16.180 39081.98  3995.05 34755.91  5461.08 44062.57  5859.66  283.693   24.108  321.059   22.740 -0.000000 0.000000 
1 1 1  -22    0   22 f   22.988   15.009 -57.8989  686.221 -806.0545  1455.98  155.750  778.057   28.911   19.758   26.777   16.884 0.000000 0.000000 
1 1 1  -22    0   23 f  271.447   15.579 31073.14  3407.86 28660.41  4491.51 34346.49  5231.60  255.846   21.995  279.186   23.459 -0.000000 0.000000 
1 1 1  -22    0   24 o   17.010   12.103 -973.6631  724.742 -1240.2650  763.774  1436.61  2296.50   16.499   11.852   50.121   30.407 -0.000000 0.000000 
1 1 1  -22    0   25 o  176.268   16.502 13643.30  2314.21 13643.30  2314.21   0.0000   0.0000  176.268   16.502  176.268   16.502 -0.000000 0.000000 
1 1 1  -22    0   26 o   25.125   15.762  209.987  668.415   0.0000   0.0000  209.987  668.415   25.125   15.762   25.125   15.762 0.000000 0.000000 
1 1 1  -22    2    1 o  469.161   32.630 90808.77 12352.83 90808.77 12352.83   0.0000   0.0000  469.161   32.630  ?   ?  0.000000 32.63002 
1 1 1  -22    2    2 o  238.173   17.783 23233.55  3414.27 23233.55  3414.27   0.0000   0.0000  238.173   17.783  ?   ?  0.000000 17.78320 
1 1 1  -22    2    3 o  323.968   16.107 42716.80  4236.94 43149.65  6022.71 42292.70  5961.62  324.380   23.016  321.127   23.017 3.253632 32.54987 
1 1 1  -22    2    4 o  360.645   14.616 52901.60  4280.05 48481.13  7455.43 55074.65  5227.25  343.454   26.950  367.831   17.502 -24.37671 32.13482 
1 1 1  -22    2    5 o  405.531   16.149 66902.16  5317.62 65079.14  9241.86 67804.40  6501.69  398.071   28.787  408.059   19.623 -9.988312 34.83910 
1 1 1  -22    2    6 o  1027.75   40.087 433764.50 33452.65 449074.19 57963.01 426118.19 40963.43  1031.87   69.587  1015.55   49.677 16.31921 85.49969 
1 1 1  -22    2    7 o  1235.03   48.384 628865.12 48519.74 609052.62 84056.34 638765.12 59418.05  1192.24   87.440  1240.10   59.010 -47.86084 105.4886 
1 1 1  -22    2    8 f  288.574   11.916 33840.21  2792.15 33905.96  4789.14 33806.37  3436.65  287.852   20.627  287.982   14.747 -0.1303101 25.35631 
1 1 1  -22    2    9 o  558.781   18.621 127098.30  8448.51 123900.80 11940.18 130304.10 11955.84  550.941   26.691  565.069   26.058 -14.12878 37.30194 
1 1 1  -22    2   10 o  886.172   29.458 321743.81 21196.32 322049.50 29968.40 321437.69 29983.84  882.530   41.821  881.667   41.884 0.8626709 59.18824 
1 1 1  -22    2   11 o  1069.00   36.243 473853.50 31458.72 495043.81 44481.26 452647.69 44497.44  1081.93   50.634  1031.15   53.329 50.78577 73.53750 
1 1 1  -22    2   12 o  457.092   18.510 85480.06  6869.97 88118.90  8401.56 80155.34 11934.45  463.283   22.334  437.498   33.860 25.78543 40.56236 
1 1 1  -22    2   13 o   90.063   6.0279  3311.01  438.266  3616.35  613.797  2993.42  625.985   93.948   8.1264   85.281   9.1850 8.666893 12.26381 
1 1 1  -22    2   14 o  518.516   17.599 110208.00  7409.43 106620.60 10469.57 113807.60 10487.50  506.734   25.527  524.515   24.625 -17.78168 35.46882 
1 1 1  -22    2   15 o  244.471   9.3306 24342.89  1852.16 24674.13  2612.76 24008.30  2625.97  245.391   13.161  242.003   13.416 3.387375 18.79391 
1 1 1  -22    2   16 o  223.967   8.8307 20436.20  1605.90 21600.02  2263.89 19257.48  2278.34  229.576   12.188  216.587   13.016 12.98892 17.83162 
1 1 1  -22    2   17 o  155.043   7.3570  9788.33  926.166 10617.02  1293.94  8917.74  1326.26  160.972   9.9485  147.287   11.173 13.68494 14.96028 
1 1 1  -22    2   18 o   34.401   10.633  482.924  327.071  323.148  422.487  721.908  516.705   32.228   12.026   42.241   13.410 -10.01297 18.01284 
1 1 1  -22    2   19 o   90.165   7.9903  3350.05  578.919  3198.79  774.380  3541.70  871.656   87.469   11.158   91.921   11.962 -4.451668 16.35794 
1 1 1  -22    2   20 o   71.302   9.0020  2123.48  509.560  1686.21  660.948  2764.20  800.073   62.389   13.444   80.559   12.648 -18.17033 18.45824 
1 1 1  -22    2   21 o  177.257   8.2840 12948.22  1192.29 14181.01  1682.86 11705.73  1689.46  184.007   11.318  166.505   12.589 17.50208 16.92925 
1 1 1  -22    2   22 o   96.413   8.6438  3882.76  669.489  3577.45  904.305  4253.07  995.909   91.113   12.557   99.441   12.618 -8.328285 17.80182 
1 1 1  -22    2   23 o  155.643   8.5296 10127.76  1073.84 10054.86  1504.08 10203.56  1533.62  152.787   12.226  153.805   12.385 -1.018265 17.40339 
1 1 1  -22    2   24 o   28.648   11.667  176.192  426.953  146.966  550.409  220.344  676.521   31.036   12.999   34.588   14.443 -3.551893 19.43154 
1 1 1  -22    2   25 o   77.443   11.002  2675.09  672.351  2813.79  839.573  2427.10  1122.65   77.546   13.842   67.569   19.426 9.977409 23.85326 
1 1 1  -22    2   26 o   83.926   10.360  3194.04  690.989  2102.03  907.615  4699.67  1065.73   61.938   17.353   98.406   13.710 -36.46817 22.11576 
1 1 1  -22    4    1 o  432.856   30.361 77095.26 10603.36 77095.26 10603.36   0.0000   0.0000  432.856   30.361  ?   ?  0.000000 30.36122 
1 1 1  -22    4    2 o  236.351   12.462 22774.37  2383.17 20229.43  3375.68 25303.16  3364.96  222.060   18.902  248.770   16.756 -26.70964 25.25976 
1 1 1  -22    4    3 o  337.844   16.823 46451.64  4614.97 46421.55  6528.73 46481.70  6524.38  336.460   24.056  336.684   24.024 -0.2244568 33.99774 
1 1 1  -22    4    4 o  315.427   15.934 40578.55  4067.69 37144.62  5755.48 44005.58  5749.69  300.869   23.753  327.895   21.719 -27.02606 32.18532 
1 1 1  -22    4    5 o  247.914   11.021 24974.76  2218.41 15109.79  3871.14 29798.63  2707.00  190.770   25.641  270.770   12.313 -79.99988 28.44359 
1 1 1  -22    4    6 o  567.357   22.188 131125.80 10221.50 130649.30 17729.19 131363.09 12509.91  563.036   39.021  567.394   27.154 -4.357910 47.53934 
1 1 1  -22    4    7 o  800.239   31.665 261679.20 20575.18 261126.41 25188.56 262787.69 35667.84  798.084   38.870  794.761   55.622 3.323975 67.85812 
1 1 1  -22    4    8 o  1420.23   55.698 836146.88 64229.99 815594.38 111187.20 846440.50 78687.43  1367.98  100.811  1421.66   68.167 -53.68091 121.6945 
1 1 1  -22    4    9 o  682.156   22.747 189717.30 12599.13 196780.09 17804.38 182633.09 17831.37  693.378   31.624  667.768   32.887 25.60950 45.62482 
1 1 1  -22    4   10 o  474.208   16.308 91580.65  6279.38 89288.75  8867.14 93886.30  8893.68  467.469   23.361  479.420   22.847 -11.95078 32.67599 
1 1 1  -22    4   11 o  356.538   14.488 51799.57  4194.16 59770.00  7291.79 47858.84  5127.21  381.101   23.682  341.812   18.543 39.28906 30.07762 
1 1 1  -22    4   12 o  384.713   15.423 60423.59  4817.77 62348.50  5888.09 56524.49  8380.15  390.303   18.580  368.679   28.208 21.62372 33.77706 
1 1 1  -22    4   13 o  454.313   15.400 84337.67  5680.98 86535.55  8019.66 82123.88  8048.67  458.790   21.528  446.768   22.187 12.02121 30.91486 
1 1 1  -22    4   14 o   35.899   8.6996  545.510  250.925  979.409  332.766 -26.3906  382.037   48.309   8.8081   24.752   10.615 23.55698 13.79374 
1 1 1  -22    4   15 o  134.742   6.4144  7382.40  701.778  7324.81  971.455  7445.26  1014.90  133.814   8.9931  134.878   9.3243 -1.063171 12.95454 
1 1 1  -22    4   16 o  212.192   8.3873 18339.11  1445.08 19215.95  2025.03 17429.27  2062.79  216.588   11.557  206.104   12.384 10.48376 16.93844 
1 1 1  -22    4   17 o  135.916   7.1082  7541.76  781.723  8058.14  1080.05  6973.62  1132.89  140.201   9.5444  130.188   10.815 10.01277 14.42427 
1 1 1  -22    4   18 o  258.132   9.8000 27255.02  2054.03 28149.14  2894.37 26347.86  2915.41  261.061   13.702  252.359   14.287 8.701553 19.79544 
1 1 1  -22    4   19 o  157.805   7.7983 10183.89  999.214  9959.53  1410.28 10410.05  1415.94  155.055   11.279  158.598   11.065 -3.544067 15.80004 
1 1 1  -22    4   20 o   65.890   8.4143  1811.81  439.887  1806.54  555.115  1820.71  721.162   65.228   10.863   64.691   14.125 0.5371323 17.81963 
1 1 1  -22    4   21 o  120.660   7.8983  6018.43  769.542  6422.87  1086.94  5611.95  1089.66  123.676   10.936  115.224   11.814 8.452087 16.09893 
1 1 1  -22    4   22 o   32.813   11.919  385.487  410.331  479.233  507.801  209.110  696.527   36.372   13.252   35.592   14.741 0.7799721 19.82202 
1 1 1  -22    4   23 f   25.163   10.700   30.409  382.147  194.544  457.919 -346.1546  693.597   29.938   12.123   29.129   13.276 0.8091412 17.97868 
1 1 1  -22    4   24 o   46.606   12.023  980.860  457.962  738.232  567.808  1432.47  774.666   41.386   14.104   54.984   16.233 -13.59824 21.50382 
1 1 1  -22    4   25 o   55.413   12.087  1417.55  528.528  1219.86  643.979  1825.52  925.089   50.214   14.794   59.507   17.780 -9.292591 23.12947 
1 1 1  -22    4   26 o   49.455   12.750  1197.51  515.240  790.217  622.690  2081.82  917.532   40.549   14.690   61.163   17.556 -20.61425 22.89095 
1 1 1  -22    6    1 o  939.261   66.180 372282.00 50149.67   0.0000   0.0000 372282.00 50149.67  ?   ?   939.261   66.180 0.000000 66.18041 
1 1 1  -22    6    2 o  333.665   17.091 45422.02  4614.73 35240.36  6548.21 55468.09  6504.46  292.412   27.919  368.293   21.849 -75.88028 35.45177 
1 1 1  -22    6    3 o  716.463   34.482 210288.80 20059.87 203498.20 28377.83 217070.91 28360.06  699.570   50.294  723.195   48.578 -23.62537 69.92385 
1 1 1  -22    6    4 o  1004.56   70.394 426231.59 57055.05 426231.59 57055.05   0.0000   0.0000  1004.56   70.394  ?   ?  0.000000 70.39352 
1 1 1  -22    6    5 o  493.185   23.941 99135.91  9587.08 91417.77 13559.07 106852.10 13557.30  471.155   35.708  510.095   32.908 -38.93976 48.55965 
1 1 1  -22    6    6 o  620.572   29.877 157254.09 15054.67 154871.20 21290.82 159636.80 21290.23  612.495   43.085  622.050   42.405 -9.554199 60.45229 
1 1 1  -22    6    7 o  727.763   28.922 216194.41 17090.79 187954.41 29630.11 230274.50 20921.98  671.781   54.798  750.255   34.344 -78.47430 64.67145 
1 1 1  -22    6    8 o  571.315   27.721 133252.20 12859.23   0.0000   0.0000 133252.20 12859.23  ?   ?   571.315   27.721 0.000000 27.72051 
1 1 1  -22    6    9 o  346.886   13.889 48939.88  3912.09 66500.22  6802.83 40263.20  4781.90  403.373   20.842  313.839   18.853 89.53351 28.10330 
1 1 1  -22    6   10 o  574.456   20.120 134733.20  9384.82 142125.00 13255.63 127304.40 13288.72  588.512   27.740  555.830   29.551 32.68207 40.53076 
1 1 1  -22    6   11 o  294.891   12.369 35412.34  2961.55 37201.04  5155.90 34531.60  3617.93  300.624   21.259  290.558   15.390 10.06656 26.24534 
1 1 1  -22    6   12 o  784.746   31.410 256093.91 20013.82 257957.30 24502.97 252359.20 34690.01  782.909   38.545  757.218   56.836 25.69098 68.67377 
1 1 1  -22    6   13 o  480.804   16.552 94584.64  6461.73 92894.41  9119.67 96288.77  9156.98  474.574   23.667  483.272   23.336 -8.697998 33.23660 
1 1 1  -22    6   14 o  630.953   21.710 164178.41 11122.26 164031.00 15710.93 164326.50 15747.63  625.679   30.925  626.213   30.971 -0.5345459 43.76720 
1 1 1  -22    6   15 o  358.956   12.608 52644.15  3674.69 50171.43  5172.42 55164.03  5221.51  348.735   18.331  366.360   17.553 -17.62457 25.37973 
1 1 1  -22    6   16 o  452.766   15.547 84197.49  5715.56 81206.75  8061.01 87221.13  8105.21  441.306   22.572  458.284   21.782 -16.97742 31.36765 
1 1 1  -22    6   17 o  167.849   7.5974 11477.83  1035.43 11035.44  1436.06 11956.85  1494.33  163.935   10.850  170.672   10.839 -6.736771 15.33657 
1 1 1  -22    6   18 o   60.798   7.8382  1533.12  377.925  2205.36  467.042  258.038  643.222   73.074   8.0022   35.949   14.434 37.12534 16.50402 
1 1 1  -22    6   19 o  125.684   7.4635  6481.82  758.241  5820.07  1038.65  7236.91  1109.48  118.334   10.933  132.188   10.421 -13.85371 15.10454 
1 1 1  -22    6   20 o   46.177   10.608  917.491  389.353  819.290  481.066  1103.98  662.932   43.811   12.752   50.665   15.031 -6.853638 19.71174 
1 1 1  -22    6   21 o   47.051   9.9884  953.085  369.796  826.767  471.097  1155.87  596.891   43.767   12.584   51.323   13.955 -7.556290 18.79157 
1 1 1  -22    6   22 o   87.112   8.5580  3177.58  597.510  3976.40  756.079  1848.86  975.125   97.137   9.7165   63.395   18.067 33.74187 20.51369 
1 1 1  -22    6   23 o   82.472   9.2051  2885.82  605.899  2866.63  761.712  2918.89  999.790   81.050   11.931   79.733   15.999 1.317688 19.95842 
1 1 1  -22    6   24 o   70.393   9.4106  2138.01  524.411  1281.38  642.948  3840.48  906.398   52.374   14.581   92.966   12.310 -40.59188 19.08307 
1 1 1  -22    6   25 o  101.209   9.5873  4475.52  778.475  4401.92  965.846  4612.01  1315.19   98.127   12.399   95.411   17.626 2.716415 21.55007 
1 1 1  -22    6   26 o   59.252   11.347  1657.04  526.025  1563.44  615.842  1909.59  1011.55   55.740   13.703   56.668   18.822 -0.9275703 23.28220 
1 1 1  -22    8    1 o  159.571   8.1072 10368.91  1046.97 10091.88  1847.60 10499.94  1270.67  156.864   14.677  160.467   9.7993 -3.603699 17.64730 
1 1 1  -22    8    2 o  896.424   62.620 336522.81 45292.52 336522.81 45292.52   0.0000   0.0000  896.424   62.620  ?   ?  0.000000 62.61978 
1 1 1  -22    8    3 o  439.510   21.536 78669.31  7685.52 78927.05 10920.62 78416.38 10818.03  438.444   30.873  437.048   30.679 1.395782 43.52391 
1 1 1  -22    8    4 o  661.305   32.072 178740.70 17221.30 168033.59 24389.86 189386.00 24319.48  636.974   47.499  677.231   44.473 -40.25739 65.06934 
1 1 1  -22    8    5 o  1065.55   51.482 468675.91 44541.77 449047.41 63018.51 488270.91 62964.68  1030.64   75.837  1076.76   72.439 -46.11792 104.8748 
1 1 1  -22    8    6 o  507.935   24.632 105149.10 10158.76 106459.70 14390.49 103847.30 14342.94  508.909   35.039  502.539   35.376 6.370667 49.79153 
1 1 1  -22    8    7 o  401.588   16.865 65603.82  5499.26 49881.29  9582.87 73323.95  6715.00  347.430   34.423  424.419   19.486 -76.98929 39.55499 
1 1 1  -22    8    8 o  390.869   19.500 62225.27  6188.62   0.0000   0.0000 62225.27  6188.62  ?   ?   390.869   19.500 0.000000 19.49953 
1 1 1  -22    8    9 o  623.361   24.221 158863.20 12259.20 185277.09 21285.58 145752.80 14996.10  668.274   39.402  594.947   31.151 73.32782 50.22862 
1 1 1  -22    8   10 o  189.526   8.9001 14602.71  1369.62 15647.42  2439.58 14121.88  1655.06  195.311   15.511  185.988   11.009 9.322296 19.02049 
1 1 1  -22    8   11 o  390.286   15.924 62194.94  5046.27 58223.25  8782.82 64152.21  6165.56  374.057   29.147  395.871   19.181 -21.81357 34.89262 
1 1 1  -22    8   12 o  140.127   6.4516  7980.43  734.060  8421.34  1017.77  7502.41  1059.74  143.614   8.7700  135.428   9.7014 8.185425 13.07791 
1 1 1  -22    8   13 f  351.643   12.068 50422.38  3445.67 48771.57  4856.43 52095.79  4889.57  344.594   17.413  356.682   16.883 -12.08832 24.25412 
1 1 1  -22    8   14 o  149.411   6.5300  9076.88  792.204  9173.24  1100.86  8973.38  1140.90  149.822   9.0924  148.126   9.5366 1.696655 13.17644 
1 1 1  -22    8   15 o  162.998   7.0485 10809.21  932.865 10494.47  1290.82 11153.29  1349.68  160.132   9.9773  165.081   10.118 -4.949478 14.20993 
1 1 1  -22    8   16 o  350.363   12.826 50257.71  3648.77 51102.38  5141.97 49401.00  5178.52  351.403   18.083  345.322   18.537 6.080902 25.89577 
1 1 1  -22    8   17 o  348.238   12.756 49764.96  3606.81 49873.61  5078.47 49654.38  5123.44  346.297   18.124  345.439   18.332 0.8585815 25.77880 
1 1 1  -22    8   18 o  192.508   8.1974 15143.80  1281.34 13576.24  1748.01 16964.37  1883.79  181.237   11.945  202.807   11.487 -21.56989 16.57221 
1 1 1  -22    8   19 o   54.427   8.7779  1245.80  374.727  1159.02  461.221  1414.34  642.750   51.990   11.252   57.117   13.974 -5.126934 17.94112 
1 1 1  -22    8   20 o  111.518   7.3445  5123.26  661.311  4543.67  882.061  5867.24  999.353  104.164   10.576  118.519   10.493 -14.35567 14.89800 
1 1 1  -22    8   21 o   68.125   8.9688  1953.16  484.049  2149.09  578.476  1495.60  884.009   71.133   10.317   57.956   17.395 13.17680 20.22432 
1 1 1  -22    8   22 o  213.162   9.7454 19014.51  1686.74 19002.40  2347.45 19027.44  2425.28  209.538   13.876  209.216   14.364 0.3216095 19.97144 
1 1 1  -22    8   23 o  117.065   8.2944  5751.78  783.300  5156.94  1005.73  6668.95  1248.83  109.174   11.519  123.549   12.626 -14.37444 17.09148 
1 1 1  -22    8   24 o  100.750   8.9393  4338.10  723.691  4167.55  859.751  4752.69  1340.48   97.473   11.059   99.298   17.252 -1.825119 20.49194 
1 1 1  -22    8   25 o   30.818   12.212  303.764  454.383  400.459  497.186 -186.3876  1119.39   33.243   12.891   36.515   16.727 -3.272232 21.11851 
1 1 1  -22    8   26 o   51.346   19.114  1618.49  1066.00   0.0000   0.0000  1618.49  1066.00  ?   ?    51.346   19.114 0.000000 19.11448 
1 1 1  -22   10    1 o  990.957   47.833 404261.50 38487.36 397060.41 54422.46 411466.19 54436.25  972.464   69.379  990.617   68.091 -18.15338 97.20985 
1 1 1  -22   10    2 o  1316.90   93.883 745188.31 99729.74 745188.31 99729.74   0.0000   0.0000  1316.90   93.883  ?   ?  0.000000 93.88328 
1 1 1  -22   10    3 o  239.325   13.383 23351.47  2590.31 19702.48  3732.67 26741.11  3597.58  218.970   21.262  255.818   17.423 -36.84862 27.48918 
1 1 1  -22   10    4 o  133.760   9.0361  7300.54  975.641  6768.06  1435.08  7758.16  1330.38  128.277   14.006  137.652   12.024 -9.374557 18.45879 
1 1 1  -22   10    5 o  524.799   25.918 112295.20 11044.00 102482.50 15675.39 121966.80 15562.37  498.512   39.038  544.807   35.371 -46.29520 52.67918 
1 1 1  -22   10    6 f  558.360   27.591 127249.20 12508.89 112245.80 17740.44 142084.00 17640.46  520.890   42.311  587.599   37.165 -66.70880 56.31537 
1 1 1  -22   10    7 o  691.146   33.439 195758.80 18765.34 192291.00 26582.84 199203.41 26493.78  679.898   48.470  692.420   47.409 -12.52185 67.80059 
1 1 1  -22   10    8 o  238.984   9.8379 23212.62  1909.02 29997.88  3413.46 20124.47  2302.82  271.007   15.578  222.066   12.826 48.94148 20.17859 
1 1 1  -22   10    9 f  377.225   15.770 57999.11  4830.22 55717.52  8462.47 59101.63  5882.61  367.012   28.624  379.970   19.128 -12.95850 34.42683 
1 1 1  -22   10   10 o  366.918   14.612 54902.66  4353.14 67127.17  7639.44 49024.81  5297.30  403.650   23.409  345.689   18.945 57.96115 30.11467 
1 1 1  -22   10   11 o  565.080   27.777 132101.70 12744.74 131747.00 18111.16 132449.70 17937.65  557.342   40.292  559.138   39.769 -1.795776 56.61341 
1 1 1  -22   10   12 o  586.524   23.532 141842.70 11206.62 141604.00 19500.48 141960.41 13693.75  575.119   42.050  584.511   28.853 -9.391846 50.99743 
1 1 1  -22   10   13 o  395.040   16.129 63897.25  5173.42 64017.30  9055.55 63839.09  6303.34  390.866   28.735  394.041   19.701 -3.174774 34.83976 
1 1 1  -22   10   14 o  133.268   8.1723  7256.06  880.052  5869.16  1645.88  7811.33  1041.43  118.269   17.682  138.164   9.3380 -19.89577 19.99623 
1 1 1  -22   10   15 o   84.864   6.1217  2944.04  418.993  2179.79  549.933  4001.56  646.897   72.500   9.5762   98.797   8.1364 -26.29659 12.56604 
1 1 1  -22   10   16 o   45.526   8.3019  870.927  295.578  1145.15  341.465   51.359  590.324   52.372   8.3072   31.880   13.413 20.49208 15.77735 
1 1 1  -22   10   17 o  314.771   11.161 40606.86  2852.45 38354.40  4016.07 42899.95  4052.12  303.878   16.337  322.136   15.492 -18.25882 22.51406 
1 1 1  -22   10   18 o  131.761   7.4127  7114.61  789.834  7553.70  1085.53  6620.65  1151.36  135.286   9.9520  126.288   11.349 8.998085 15.09475 
1 1 1  -22   10   19 o  178.154   8.6832 13043.32  1256.07 15075.45  1741.75 10841.25  1813.11  190.412   11.316  160.297   14.073 30.11534 18.05830 
1 1 1  -22   10   20 o   11.097   5.4937 -427.2542  184.423 -493.1119  196.176   73.494  540.945   11.121   5.5330   30.507   12.838 -19.38579 13.97967 
1 1 1  -22   10   21 o   55.352   9.6907  1310.00  419.669  1440.86  484.882  919.293  837.836   57.829   10.721   48.062   17.084 9.766712 20.16915 
1 1 1  -22   10   22 o   44.777   11.327  882.288  412.114  575.437  457.415  2205.33  949.803   37.522   12.659   69.014   17.049 -31.49219 21.23511 
1 1 1  -22   10   23 o  103.152   8.4066  4486.60  697.977  4671.02  865.181  4142.85  1181.20  104.285   10.354   94.786   15.911 9.499100 18.98385 
1 1 1  -22   10   24 o   46.496   11.407  983.411  427.417  935.558  464.375  1248.65  1093.30   45.109   12.327   51.479   19.319 -6.370712 22.91738 
1 1 1  -22   10   25 f   58.698   10.422  1566.35  478.525  1729.62  528.532  823.964  1127.02   61.385   11.008   44.572   18.630 16.81256 21.63899 
1 1 1  -22   12    1 o  1070.99   42.329 470694.19 36809.92 442351.59 63812.14 484828.59 45063.17  1022.93   77.401  1084.28   51.185 -61.34662 92.79451 
1 1 1  -22   12    2 o  378.618   15.718 58286.96  4832.15 63335.00  8391.04 55782.28  5910.60  393.251   26.432  369.707   19.761 23.54437 33.00267 
1 1 1  -22   12    3 o  595.222   29.376 144630.09 14197.38 135008.50 20164.20 154089.20 19993.14  571.559   43.782  611.573   40.491 -40.01459 59.63549 
1 1 1  -22   12    4 o  310.602   16.061 39340.27  4036.81 40986.39  5791.30 37784.59  5629.95  316.373   22.695  303.662   23.004 12.71075 32.31526 
1 1 1  -22   12    5 o  405.366   20.848 67110.00  6838.73 59313.16  9756.45 74640.86  9588.60  379.425   31.966  426.619   27.833 -47.19418 42.38543 
1 1 1  -22   12    6 o  363.015   18.284 53800.96  5372.11 55638.77  7675.25 52035.96  7521.69  368.173   25.838  355.934   26.210 12.23895 36.80484 
1 1 1  -22   12    7 o  416.986   29.578 71686.55  9949.50   0.0000   0.0000 71686.55  9949.50  ?   ?   416.986   29.578 0.000000 29.57799 
1 1 1  -22   12    8 o  598.438   22.855 146617.80 11105.41 171824.09 19382.65 134299.30 13550.03  642.378   37.322  570.481   29.352 71.89673 47.48085 
1 1 1  -22   12    9 o  492.673   18.245 99219.30  7298.55 131633.30 12786.93 83556.14  8888.72  564.908   27.877  450.272   24.403 114.6360 37.04958 
1 1 1  -22   12   10 o  268.076   12.373 29282.63  2693.13 24023.35  4800.67 31697.88  3253.26  240.234   24.976  278.360   14.443 -38.12613 28.85172 
1 1 1  -22   12   11 o  381.547   18.765 59665.07  5813.57 63335.63  8357.19 56223.38  8092.45  390.431   26.519  367.498   27.315 22.93320 38.07073 
1 1 1  -22   12   12 o  526.091   21.699 114007.30  9268.96 104617.50 16193.92 118582.40 11303.71  493.632   40.768  534.855   26.028 -41.22302 48.36803 
1 1 1  -22   12   13 o  393.161   16.004 63337.34  5109.16 64255.71  8995.87 62900.05  6207.47  391.164   28.520  390.422   19.644 0.7423096 34.63058 
1 1 1  -22   12   14 o  207.467   9.8592 17547.10  1660.85 18023.76  3051.75 17346.51  1979.71  208.470   18.212  205.746   11.901 2.724075 21.75547 
1 1 1  -22   12   15 o  331.321   14.369 45034.73  3865.69 37592.36  6855.35 48504.54  4680.88  296.877   28.801  343.194   16.798 -46.31747 33.34186 
1 1 1  -22   12   16 f  354.886   15.387 51916.98  4433.84 44643.00  7872.81 55295.79  5365.69  320.816   30.594  365.196   18.095 -44.37982 35.54435 
1 1 1  -22   12   17 o  253.795   12.068 26503.62  2486.86 22436.46  4467.05 28330.27  2993.67  227.708   24.549  261.379   14.158 -33.67149 28.33893 
1 1 1  -22   12   18 o   22.129   10.548 -677.3865  525.006 -462.6843  1378.81 -713.7933  567.776   43.040   19.247   23.138   11.013 19.90167 22.17468 
1 1 1  -22   12   19 o  203.500   10.960 17228.33  1804.25 16255.13  3505.91 17578.93  2104.29  189.971   23.212  204.717   12.722 -14.74609 26.46952 
1 1 1  -22   12   20 o   73.994   8.3402  2286.15  492.346  2098.28  593.115  2702.48  882.954   70.206   10.747   78.640   14.357 -8.433929 17.93362 
1 1 1  -22   12   21 o  122.445   11.989  6400.26  1176.70  9221.76  2837.97  5814.50  1293.09  135.703   26.707  115.609   14.065 20.09397 30.18429 
1 1 1  -22   12   22 o   42.278   11.370  788.012  398.784  414.745  436.473  2673.68  981.026   33.666   12.283   76.144   16.355 -42.47819 20.45403 
1 1 1  -22   12   23 o  163.902   12.998 11900.81  1715.60 10663.55  3607.46 12262.42  1950.26  125.289   34.408  164.434   14.764 -39.14504 37.44212 
1 1 1  -22   12   24 o   71.525   10.318  2266.99  581.886  2400.87  644.919  1680.76  1349.51   73.105   11.223   56.277   21.386 16.82775 24.15228 
1 1 1  -22   12   25 o  100.257   10.251  4540.45  822.729  5328.75  951.840  2211.55  1636.04  107.837   11.026   56.981   22.970 50.85621 25.47956 
1 1 1  -22   14    1 o  410.970   17.282 68723.29  5766.75 67121.50 10065.78 69505.91  7035.87  404.000   30.920  412.545   21.075 -8.544647 37.41888 
1 1 1  -22   14    2 o  510.562   20.808 106188.30  8626.00 92556.61 14972.15 112961.30 10553.57  473.041   39.337  526.229   24.699 -53.18887 46.44867 
1 1 1  -22   14    3 o  678.421   34.242 189173.91 18801.29 164405.00 26696.84 213546.80 26482.54  626.901   52.942  717.574   45.690 -90.67377 69.93191 
1 1 1  -22   14    4 o  332.561   17.930 45170.19  4823.62 37451.53  6919.10 52468.75  6728.17  301.203   28.636  357.812   23.285 -56.60953 36.90792 
1 1 1  -22   14    5 o  502.694   25.788 103649.10 10490.66 89512.15 14939.70 117400.40 14734.50  463.621   40.080  533.086   34.222 -69.46490 52.70260 
1 1 1  -22   14    6 o  823.131   58.780 289884.59 39027.51   0.0000   0.0000 289884.59 39027.51  ?   ?   823.131   58.780 0.000000 58.77991 
1 1 1  -22   14    7 o  357.513   18.860 52361.94  5455.51 46496.02  7826.71 57905.23  7608.43  334.701   29.089  374.744   25.151 -40.04272 38.45388 
1 1 1  -22   14    8 o  573.732   27.584 135802.09 12850.24 148825.80 18276.87 123070.50 18070.85  595.271   38.012  539.315   41.588 55.95599 56.34216 
1 1 1  -22   14    9 o  425.642   17.362 74081.21  6000.43 80836.75 10594.94 70891.15  7280.62  440.641   29.787  415.003   21.681 25.63800 36.84260 
1 1 1  -22   14   10 o  245.741   13.967 24722.71  2775.40 21691.70  4129.19 27220.47  3748.40  228.542   22.545  257.203   18.063 -28.66171 28.88893 
1 1 1  -22   14   11 o  344.348   14.452 48444.18  4040.75 47090.46  7206.49 49064.95  4880.06  336.001   26.633  345.624   17.446 -9.622803 31.83802 
1 1 1  -22   14   12 o  378.466   15.230 58622.66  4680.13 64185.26  8319.68 56047.47  5660.73  392.098   26.284  368.777   18.969 23.32068 32.41420 
1 1 1  -22   14   13 o  409.710   16.264 68882.93  5410.45 75359.45  9587.61 65856.77  6553.69  423.273   28.056  398.938   20.299 24.33484 34.62916 
1 1 1  -22   14   14 o  283.186   12.511 32801.71  2876.78 30807.68  5221.21 33670.92  3447.23  270.789   23.995  286.096   14.891 -15.30725 28.24013 
1 1 1  -22   14   15 o  560.193   22.606 131235.50 10282.39 133853.91 18044.14 129976.40 12512.77  546.771   40.941  552.622   27.977 -5.850647 49.58701 
1 1 1  -22   14   16 o  282.198   12.546 32736.83  2874.83 34152.05  5245.34 32129.20  3437.03  283.304   23.001  278.345   15.266 4.959106 27.60610 
1 1 1  -22   14   17 o   79.927   11.104  2678.88  701.180  870.543  1364.34  3327.95  817.388   54.798   21.326   89.135   11.567 -34.33613 24.26040 
1 1 1  -22   14   18 o   47.249   14.928  931.638  640.879  501.062  1844.32  990.769  683.470   56.653   23.766   48.687   15.419 7.966076 28.32975 
1 1 1  -22   14   19 o  121.407   10.078  6149.30  984.469  6673.52  2469.10  6050.21  1073.49  118.164   26.400  120.065   11.138 -1.901466 28.65329 
1 1 1  -22   14   20 o   43.561   15.528  732.334  692.665  459.304  1765.13  782.030  753.071   53.869   22.952   45.067   16.177 8.801956 28.08071 
1 1 1  -22   14   21 o   60.546   17.266  1686.79  890.298  2797.62  2481.01  1522.60  953.826   75.417   28.917   57.791   18.206 17.62606 34.17077 
1 1 1  -22   14   22 o   56.655   17.929  1507.62  924.227  2192.85  2730.15  1418.93  982.220   68.678   28.868   55.321   18.551 13.35641 34.31485 
1 1 1  -22   14   23 o   51.279   20.407  1114.71  1273.99  2930.56  2510.87  485.145  1478.44   69.212   28.252   47.239   20.572 21.97252 34.94832 
1 1 1  -22   14   24 o   58.534   21.994  2016.30  1417.77   0.0000   0.0000  2016.30  1417.77  ?   ?    58.534   21.994 0.000000 21.99384 
1 1 1  -22   14   25 o   42.390   18.935  666.978  1330.44   0.0000   0.0000  666.978  1330.44  ?   ?    42.390   18.935 0.000000 18.93456 
1 1 1  -22   16    1 o  360.434   19.016 53123.73  5545.66   0.0000   0.0000 53123.73  5545.66  ?   ?   360.434   19.016 0.000000 19.01644 
1 1 1  -22   16    2 o  256.056   11.981 26667.42  2490.86 27254.38  4360.14 26383.05  3034.85  257.521   21.036  254.139   14.771 3.381683 25.70372 
1 1 1  -22   16    3 o  630.321   31.325 163508.50 16032.00 157379.09 22791.78 169511.50 22555.40  611.976   46.208  636.262   43.928 -24.28619 63.75652 
1 1 1  -22   16    4 f  574.945   27.993 135847.20 13068.31 144691.80 18622.47 127265.60 18343.46  588.757   39.179  551.166   41.288 37.59082 56.91830 
1 1 1  -22   16    5 o  585.337   41.743 144075.80 19709.56   0.0000   0.0000 144075.80 19709.56  ?   ?   585.337   41.743 0.000000 41.74348 
1 1 1  -22   16    6 o  169.396   11.168 11729.61  1527.52 12094.00  2307.74 11445.48  2037.84  171.296   16.809  166.831   15.211 4.465759 22.66940 
1 1 1  -22   16    7 o  368.205   18.581 55604.42  5537.18 61596.10  7972.33 50020.22  7696.46  385.884   25.589  347.040   27.540 38.84396 37.59318 
1 1 1  -22   16    8 o  407.935   20.007 68221.18  6627.00 76862.87  9524.32 60111.04  9226.76  430.359   27.399  379.462   30.196 50.89691 40.77365 
1 1 1  -22   16    9 o  221.678   12.988 20109.40  2327.50 20417.39  3440.25 19849.44  3160.66  222.338   19.246  219.457   17.893 2.881119 26.27889 
1 1 1  -22   16   10 o  389.468   16.560 62095.46  5236.96 58175.76  9345.62 63889.68  6322.96  371.869   31.241  393.867   19.835 -21.99847 37.00553 
1 1 1  -22   16   11 o  118.016   7.7078  5690.10  734.539  5229.67  1595.53  5813.94  827.439  111.452   18.264  119.208   8.6064 -7.756134 20.19009 
1 1 1  -22   16   12 o  195.038   9.2870 15496.75  1470.74 18073.56  2870.40 14579.41  1712.63  209.112   17.054  188.699   11.229 20.41248 20.41853 
1 1 1  -22   16   13 o  194.456   9.9309 15461.48  1562.77 12865.25  3051.11 16384.83  1819.58  174.785   21.985  199.996   11.251 -25.21037 24.69675 
1 1 1  -22   16   14 o  203.695   10.397 16990.00  1713.88 13975.57  3320.85 18084.42  2000.96  181.546   23.047  209.919   11.787 -28.37349 25.88662 
1 1 1  -22   16   15 o   87.408   8.4796  3146.98  594.246  5385.54  1394.30  2650.10  656.894  113.170   15.587   79.825   10.380 33.34507 18.72727 
1 1 1  -22   16   16 o  198.053   10.436 16149.96  1672.39 15209.40  3284.21 16479.24  1943.21  187.782   21.954  199.609   12.046 -11.82722 25.04171 
1 1 1  -22   16   17 o  107.363   10.030  4787.90  864.252  4792.28  2323.60  4787.19  931.051  101.355   27.524  107.151   10.851 -5.796272 29.58563 
1 1 1  -22   16   18 o  119.217   10.027  5918.50  961.634  7599.22  2280.05  5554.85  1060.58  129.393   22.520  115.013   11.511 14.38019 25.29141 
1 1 1  -22   16   19 o   18.832   9.3436 -1277.1851  544.498  503.318  2103.71 -1405.0291  563.708   58.188   24.931   18.757   9.3394 39.43118 26.62334 
1 1 1  -22   16   20 o  125.613   11.489  6707.08  1158.88  5282.67  2721.22  7022.65  1280.83   98.661   30.698  128.051   12.477 -29.39045 33.13719 
1 1 1  -22   16   21 o   26.969   12.647 -619.2549  699.000 -1448.4510  2661.36 -557.8157  724.433   51.394   24.279   28.070   13.068 23.32379 27.57223 
1 1 1  -22   16   22 o   75.470   17.268  2735.41  1035.24 -279.9413  3289.94  3066.78  1090.64   57.956   27.260   80.019   17.291 -22.06289 32.28169 
1 1 1  -22   16   23 o   38.361   17.997 -657.0026  1418.26   0.0000   0.0000 -657.0026  1418.26  ?   ?    38.361   17.997 0.000000 17.99702 
1 1 1  -22   16   24 o   50.107   20.705  1361.07  1369.67   0.0000   0.0000  1361.07  1369.67  ?   ?    50.107   20.705 0.000000 20.70538 
1 1 1  -22   18    1 o  502.474   37.160 105677.10 15053.63   0.0000   0.0000 105677.10 15053.63  ?   ?   502.474   37.160 0.000000 37.16047 
1 1 1  -22   18    2 o  405.838   31.034 68481.05 10149.17   0.0000   0.0000 68481.05 10149.17  ?   ?   405.838   31.034 0.000000 31.03444 
1 1 1  -22   18    3 f  125.614   21.436  6641.52  2107.89   0.0000   0.0000  6641.52  2107.89  ?   ?   125.614   21.436 0.000000 21.43589 
1 1 1  -22   18    4 o  508.231   36.786 108375.60 15077.73   0.0000   0.0000 108375.60 15077.73  ?   ?   508.231   36.786 0.000000 36.78602 
1 1 1  -22   18    5 o  505.043   36.532 107140.00 14879.80   0.0000   0.0000 107140.00 14879.80  ?   ?   505.043   36.532 0.000000 36.53179 
1 1 1  -22   18    6 o  392.991   28.848 64267.23  9140.94   0.0000   0.0000 64267.23  9140.94  ?   ?   392.991   28.848 0.000000 28.84793 
1 1 1  -22   18    7 o  193.720   16.677 15455.88  2597.63   0.0000   0.0000 15455.88  2597.63  ?   ?   193.720   16.677 0.000000 16.67703 
1 1 1  -22   18    8 o  459.716   23.447 87351.17  8722.95 88044.54 12522.22 86697.53 12158.06  457.138   33.979  453.975   33.214 3.162231 47.51566 
1 1 1  -22   18    9 o  236.155   21.457 23149.67  4069.44 23149.67  4069.44   0.0000   0.0000  236.155   21.457  ?   ?  0.000000 21.45677 
1 1 1  -22   18   10 o  412.707   15.250 69720.18  5110.24 92633.29  9266.08 59704.98  6126.10  472.190   24.250  380.325   19.907 91.86502 31.37414 
1 1 1  -22   18   11 o  168.943   8.8072 11655.11  1203.95 11323.55  2441.29 11761.66  1383.95  164.870   18.559  169.562   10.098 -4.692200 21.12831 
1 1 1  -22   18   12 o  446.397   17.841 82093.80  6466.75 87178.66 11592.20 79796.45  7791.84  451.970   31.790  438.501   21.884 13.46915 38.59441 
1 1 1  -22   18   13 o  157.849   9.0545 10194.44  1155.64  7921.70  2464.56 10834.99  1308.40  135.956   23.155  162.620   9.9569 -26.66435 25.20548 
1 1 1  -22   18   14 o  144.938   8.7857  8606.24  1029.06  7901.53  2201.34  8803.31  1164.09  136.094   20.562  146.426   9.8483 -10.33238 22.79893 
1 1 1  -22   18   15 o  192.241   10.161 15199.12  1580.37 15160.44  3166.68 15211.95  1823.72  188.096   21.098  191.905   11.761 -3.808792 24.15426 
1 1 1  -22   18   16 o   32.434   12.737  261.690  490.232 -594.0290  1443.69  373.220  521.201   43.230   19.483   35.092   13.301 8.138348 23.59064 
1 1 1  -22   18   17 o   27.715   11.846   0.5380  472.825  308.861  1741.67 -23.9934  491.275   53.690   22.836   27.890   12.001 25.80011 25.79762 
1 1 1  -22   18   18 o  122.331   9.8508  6243.29  970.175  8475.74  2585.49  5877.44  1046.66  134.392   24.600  118.268   11.026 16.12414 26.95825 
1 1 1  -22   18   19 o  186.354   11.701 14681.43  1761.46 11665.58  4149.20 15344.46  1945.48  143.911   35.684  189.871   12.692 -45.96008 37.87437 
1 1 1  -22   18   20 o   27.533   12.939 -683.5764  738.286 -4059.4121  2763.19 -424.0547  766.139   44.832   22.015   30.247   13.850 14.58483 26.00882 
1 1 1  -22   18   21 o   23.908   11.615 -1110.0590  711.564  360.181  3086.58 -1192.5830  731.261   60.534   27.748   23.929   11.659 36.60493 30.09751 
1 1 1  -22   18   22 o   79.920   21.135  3393.77  1392.50  3053.39  3260.63  3469.70  1540.00   69.281   30.349   79.217   22.746 -9.936073 37.92720 
1 1 1  -22   18   23 o   50.890   21.997  1162.78  1665.35   0.0000   0.0000  1162.78  1665.35  ?   ?    50.890   21.997 0.000000 21.99681 
1 1 1  -22   18   24 f   42.439   19.771  360.736  1662.73   0.0000   0.0000  360.736  1662.73  ?   ?    42.439   19.771 0.000000 19.77081 
1 1 1  -22   20    1 o  347.290   19.072 49510.48  5357.58   0.0000   0.0000 49510.48  5357.58  ?   ?   347.290   19.072 0.000000 19.07236 
1 1 1  -22   20    2 o  143.325   10.713  8408.04  1237.70  6383.30  2231.37  9307.83  1487.50  122.672   23.253  150.661   12.266 -27.98933 26.28999 
1 1 1  -22   20    3 o  472.072   20.009 91333.39  7669.52 82797.68 13397.11 95494.49  9353.96  442.795   37.619  481.736   23.914 -38.94089 44.57607 
1 1 1  -22   20    4 o  210.020   15.149 18101.02  2565.96 16156.12  3506.95 20341.87  3764.33  197.062   22.310  221.636   21.175 -24.57407 30.75947 
1 1 1  -22   20    5 f  376.723   29.776 59298.21  9033.95 59298.21  9033.95   0.0000   0.0000  376.723   29.776  ?   ?  0.000000 29.77634 
1 1 1  -22   20    6 o  365.990   29.103 56001.27  8577.18 56001.27  8577.18   0.0000   0.0000  365.990   29.103  ?   ?  0.000000 29.10305 
1 1 1  -22   20    7 o  107.696   20.877  4929.03  1759.73  4929.03  1759.73   0.0000   0.0000  107.696   20.877  ?   ?  0.000000 20.87744 
1 1 1  -22   20   11 o  173.878   9.5746 12364.96  1346.56   0.0000   0.0000 12364.96  1346.56  ?   ?   173.878   9.5746 0.000000 9.574589 
1 1 1  -22   20   12 o  235.764   12.895 22846.53  2459.14   0.0000   0.0000 22846.53  2459.14  ?   ?   235.764   12.895 0.000000 12.89487 
1 1 1  -22   20   13 o   91.200   9.2508  3432.08  675.549   0.0000   0.0000  3432.08  675.549  ?   ?    91.200   9.2508 0.000000 9.250752 
1 1 1  -22   20   14 o  353.315   19.052 52659.34  5445.41   0.0000   0.0000 52659.34  5445.41  ?   ?   353.315   19.052 0.000000 19.05189 
1 1 1  -22   20   15 o  138.102   10.576  7903.46  1176.90   0.0000   0.0000  7903.46  1176.90  ?   ?   138.102   10.576 0.000000 10.57580 
1 1 1  -22   20   16 o   29.859   12.208  144.365  469.765   0.0000   0.0000  144.365  469.765  ?   ?    29.859   12.208 0.000000 12.20797 
1 1 1  -22   20   17 o  154.681   11.266 10023.19  1405.22   0.0000   0.0000 10023.19  1405.22  ?   ?   154.681   11.266 0.000000 11.26579 
1 1 1  -22   20   18 o  231.532   14.484 23030.47  2709.24   0.0000   0.0000 23030.47  2709.24  ?   ?   231.532   14.484 0.000000 14.48396 
1 1 1  -22   20   19 o   40.194   15.407  534.088  704.188  1793.25  2182.98  387.843  743.958   66.521   26.633   38.712   15.531 27.80880 30.83043 
1 1 1  -22   20   20 o  104.797   14.074  4884.41  1167.32  2594.41  3381.45  5194.23  1243.78   73.395   31.532  107.776   14.588 -34.38124 34.74307 
1 1 1  -22   20   21 o   27.221   13.198 -1273.6949  906.693 -1013.5330  3090.35 -1298.2000  948.433   53.540   25.541   27.947   13.538 25.59234 28.90707 
1 1 1  -22   20   22 o   89.809   26.072  5149.44  2013.36   0.0000   0.0000  5149.44  2013.36  ?   ?    89.809   26.072 0.000000 26.07212 
1 1 1  -22   20   23 o   37.311   17.418 -232.7298  1301.02   0.0000   0.0000 -232.7298  1301.02  ?   ?    37.311   17.418 0.000000 17.41752 
1 1 1  -22   22    1 o  471.462   24.813 91980.13  9465.38   0.0000   0.0000 91980.13  9465.38  ?   ?   471.462   24.813 0.000000 24.81327 
1 1 1  -22   22    2 o  544.303   22.649 121981.40 10009.70 122774.90 17598.04 121601.90 12170.17  536.463   40.704  540.880   27.805 -4.416992 49.29442 
1 1 1  -22   22    3 o  306.938   14.845 38488.75  3699.67 38493.82  6582.62 38486.41  4472.99  303.660   26.979  305.946   18.086 -2.286224 32.48014 
1 1 1  -22   22    4 o  263.123   13.060 28251.12  2790.31 28215.32  4989.85 28267.41  3365.73  260.380   23.867  262.413   15.871 -2.032654 28.66239 
1 1 1  -22   22    5 o  658.299   33.331 182547.80 17758.09 188368.00 25397.50 176980.70 24839.27  656.229   47.998  635.521   48.502 20.70831 68.23679 
1 1 1  -22   22    6 o  719.782   56.037 233734.00 32492.30 233734.00 32492.30   0.0000   0.0000  719.782   56.037  ?   ?  0.000000 56.03732 
1 1 1  -22   22    7 o  460.990   23.882 88311.95  8908.73 92509.27 12923.31 84511.20 12297.65  466.186   34.384  445.559   34.255 20.62717 48.53466 
1 1 1  -22   22    8 o  111.836   12.848  5177.50  1145.54  5156.68  1985.73  5187.89  1402.43  109.562   23.052  111.373   15.965 -1.810806 28.04014 
1 1 1  -22   22    9 f  529.198   26.277 117225.40 11291.16 130184.70 16292.38 105248.80 15662.47  548.826   36.773  490.860   39.636 57.96582 54.06699 
1 1 1  -22   22   10 f  321.948   17.926 42903.08  4667.53 46056.06  6975.79 40347.22  6280.59  330.072   26.245  309.288   25.229 20.78430 36.40471 
1 1 1  -22   22   11 o  248.625   11.954 25318.70  2413.31 24199.82  4918.97 25673.39  2769.54  238.022   25.868  249.650   13.715 -11.62857 29.27935 
1 1 1  -22   22   12 o  309.780   17.559 40037.52  4398.55 38994.30  6910.48 40748.03  5702.98  299.044   28.817  309.679   22.842 -10.63531 36.77147 
1 1 1  -22   22   13 o   94.325   11.729  3718.78  878.929 -945.8561  2330.79  4492.06  948.989   54.617   24.672  103.863   11.443 -49.24609 27.19663 
1 1 1  -22   22   14 o  107.416   11.152  4813.29  958.446  4616.79  2366.00  4851.86  1048.31   99.667   28.051  107.566   12.220 -7.898880 30.59717 
1 1 1  -22   22   15 o   51.011   15.652  1108.12  710.210 -2188.5730  2399.27  1424.73  743.531   48.848   23.069   57.114   15.595 -8.265499 27.84529 
1 1 1  -22   22   16 o   92.273   12.825  3635.89  934.883  3071.39  2810.73  3706.11  991.325   82.787   30.995   92.923   13.536 -10.13620 33.82177 
1 1 1  -22   22   17 o   95.895   14.683  4012.35  1106.90  4184.73  3052.83  3986.26  1187.72   90.125   32.545   95.003   15.963 -4.878349 36.24914 
1 1 1  -22   22   18 o   25.454   12.078 -752.8223  672.657  1324.20  2244.33 -957.8117  705.069   63.597   26.410   24.902   11.965 38.69465 28.99414 
1 1 1  -22   22   19 f   57.399   18.070  1530.59  939.769  3056.45  3308.96  1396.72  980.129   76.606   31.962   55.359   18.531 21.24654 36.94522 
1 1 1  -22   22   20 o  156.265   16.136 11280.27  2017.90 11340.68  4707.04 11266.67  2233.55  113.773   40.487  153.665   18.259 -39.89235 44.41353 
1 1 1  -22   22   21 o   59.368   28.495  653.271  3975.76  653.271  3975.76   0.0000   0.0000   59.368   28.495  ?   ?  0.000000 28.49464 
1 1 1  -22   24    1 o  367.924   20.710 55907.22  6161.73   0.0000   0.0000 55907.22  6161.73  ?   ?   367.924   20.710 0.000000 20.70980 
1 1 1  -22   24    2 o  287.575   17.720 34056.43  4117.58   0.0000   0.0000 34056.43  4117.58  ?   ?   287.575   17.720 0.000000 17.72035 
1 1 1  -22   24    3 o  266.120   14.391 29043.25  3098.13 30650.48  5607.69 28337.15  3716.89  270.470   25.849  262.211   17.559 8.258667 31.24923 
1 1 1  -22   24    4 o  436.604   24.807 79375.09  8758.01 77274.95 12323.32 81518.29 12449.03  424.944   36.056  436.923   35.395 -11.97870 50.52544 
1 1 1  -22   24    5 o  608.572   32.855 157065.00 16175.00 162120.50 22691.72 151842.91 23062.59  605.631   46.500  583.279   49.154 22.35260 67.66340 
1 1 1  -22   24    6 o  408.582   22.284 69368.20  7364.97 70922.43 10818.38 68025.65 10054.77  407.686   32.963  400.245   31.185 7.441498 45.37726 
1 1 1  -22   24    7 f  340.842   19.196 48097.80  5290.94 52552.77  7969.14 44586.06  7075.39  352.533   28.073  325.023   27.056 27.50970 38.98861 
1 1 1  -22   24    8 o  244.031   15.095 24547.94  2976.33 32098.50  4732.71 19607.97  3828.09  277.273   21.182  216.040   22.135 61.23318 30.63725 
1 1 1  -22   24    9 o  303.090   17.867 38127.08  4377.72 39798.54  6676.72 36866.67  5797.93  305.395   27.211  295.259   24.403 10.13580 36.55016 
1 1 1  -22   24   10 o  174.145   14.647 12588.21  2051.81 10240.86  3427.52 13899.20  2561.47  152.175   28.794  182.218   17.529 -30.04314 33.70981 
1 1 1  -22   24   11 o  210.758   11.752 18319.99  2003.16 14967.62  4455.52 19169.28  2242.59  181.983   31.280  215.266   12.890 -33.28336 33.83208 
1 1 1  -22   24   12 o   87.733   8.5387  3180.94  600.559  5348.95  2350.67  3029.55  621.174  108.234   26.872   85.498   9.0871 22.73615 28.36674 
1 1 1  -22   24   13 o  139.451   9.5578  8037.12  1075.69  7209.03  3074.93  8152.59  1148.24  122.696   30.887  140.298   10.148 -17.60168 32.51094 
1 1 1  -22   24   14 o  155.842   9.3026 10045.12  1171.77 13371.22  3301.52  9565.76  1253.36  171.502   24.396  151.773   10.230 19.72910 26.45452 
1 1 1  -22   24   15 o   93.565   10.197  3672.57  762.166  1511.69  2777.66  3848.51  792.587   71.168   29.453   95.755   10.359 -24.58704 31.22198 
1 1 1  -22   24   16 o  146.192   10.200  8947.15  1203.18 15355.33  3696.97  8188.00  1272.46  178.411   26.310  139.323   11.347 39.08809 28.65254 
1 1 1  -22   24   17 o   71.609   12.490  2236.53  699.815  1421.68  3454.61  2271.41  714.632   71.383   31.256   72.111   12.667 -0.7274475 33.72507 
1 1 1  -22   24   18 o   44.001   14.767  825.483  622.421  3480.33  3645.21  745.754  631.698   79.720   33.425   42.585   14.860 37.13542 36.57957 
1 1 1  -22   24   19 o  112.350   11.728  5513.74  1054.14  6703.89  3858.55  5417.75  1095.82   93.148   35.971  110.924   12.378 -17.77617 38.04105 
1 1 1  -22   24   20 o   50.120   19.596  1121.57  1156.11  2104.32  3731.22  1017.21  1215.95   64.199   29.811   49.315   19.830 14.88409 35.80403 
1 1 1  -22   24   21 o   42.719   18.545  541.728  1194.09   0.0000   0.0000  541.728  1194.09  ?   ?    42.719   18.545 0.000000 18.54533 
1 1 1  -22   26    1 o   71.618   26.305  1743.54  2006.69   0.0000   0.0000  1743.54  2006.69  ?   ?    71.618   26.305 0.000000 26.30542 
1 1 1  -22   26    2 o  202.424   25.546 17342.09  4105.24   0.0000   0.0000 17342.09  4105.24  ?   ?   202.424   25.546 0.000000 25.54577 
1 1 1  -22   26    3 o  146.630   14.356  8890.17  1687.25  9048.33  3288.13  8833.64  1965.78  144.252   29.077  145.642   16.939 -1.390564 33.65168 
1 1 1  -22   26    4 o  116.488   14.777  5651.32  1366.27  5056.53  2691.10  5857.87  1585.86  107.683   29.779  118.160   17.020 -10.47781 34.29946 
1 1 1  -22   26    5 o  218.871   14.008 19718.99  2476.44 26497.77  4625.67 16995.43  2932.03  251.201   22.931  202.182   18.050 49.01924 29.18300 
1 1 1  -22   26    6 o  191.477   14.323 15136.29  2210.74 17056.03  4132.05 14366.38  2616.76  199.710   26.107  185.736   17.559 13.97324 31.46248 
1 1 1  -22   26    7 f  147.766   15.348  9089.82  1814.64  7220.93  3175.61  9995.96  2211.21  127.128   31.035  154.352   17.980 -27.22396 35.86729 
1 1 1  -22   26    8 o  262.158   17.512 28667.00  3706.25 28955.25  5923.97 28481.61  4750.90  257.804   28.792  258.923   22.832 -1.119049 36.74554 
1 1 1  -22   26    9 o  197.561   15.412 16283.88  2452.75 18141.34  4251.24 15357.08  3002.96  203.623   26.330  190.196   19.732 13.42700 32.90293 
1 1 1  -22   26   10 o  202.484   16.188 17234.93  2639.17 14506.35  4471.15 18693.94  3269.50  177.006   32.300  209.384   19.453 -32.37798 37.70543 
1 1 1  -22   26   11 f  106.165   16.658  4848.16  1388.72  1128.83  2758.33  6111.02  1607.28   70.891   29.346  119.287   17.082 -48.39614 33.95533 
1 1 1  -22   26   12 o  155.798   9.6476 10037.96  1214.44  9999.75  3548.43 10043.03  1292.49  144.081   31.232  155.645   10.285 -11.56381 32.88221 
1 1 1  -22   26   13 o   78.079   9.8840  2558.28  612.593  4115.36  2785.49  2479.14  627.967   92.450   31.239   76.725   10.344 15.72501 32.90682 
1 1 1  -22   26   14 o  105.397   9.3756  4632.18  793.973  2565.78  3178.14  4769.73  819.973   79.985   32.096  106.911   9.5462 -26.92683 33.48521 
1 1 1  -22   26   15 o   27.921   11.613   94.411  434.920 -3810.1721  2825.30  189.183  440.167   47.216   22.986   29.667   11.930 17.54932 25.89739 
1 1 1  -22   26   16 o   81.233   11.170  2830.21  717.242  1732.34  2927.12  2900.33  739.795   70.143   29.709   82.161   11.396 -12.01814 31.81987 
1 1 1  -22   26   17 o   30.300   12.780   95.483  538.060  834.057  3373.21   76.201  545.039   65.683   29.675   30.196   12.806 35.48717 32.32051 
1 1 1  -22   26   18 o  114.339   12.533  5764.85  1144.52  923.932  3993.96  6197.94  1194.62   65.539   30.569  118.539   12.605 -53.00036 33.06581 
1 1 1  -22   26   19 o   31.466   15.166 -1287.1450  1153.77  519.992  3960.24 -1454.7590  1206.09   59.949   28.685   31.555   15.281 28.39390 32.50130 
1 1 1  -22   26   20 o  124.381   24.205  9352.67  2356.55   0.0000   0.0000  9352.67  2356.55  ?   ?   124.381   24.205 0.000000 24.20489 
1 1 1  -22   28    1 o  299.471   19.896 37431.75  4810.30   0.0000   0.0000 37431.75  4810.30  ?   ?   299.471   19.896 0.000000 19.89564 
1 1 1  -22   28    2 o  279.166   19.158 32504.66  4316.36   0.0000   0.0000 32504.66  4316.36  ?   ?   279.166   19.158 0.000000 19.15812 
1 1 1  -22   28    3 o   66.514   20.969  1832.53  1265.10   0.0000   0.0000  1832.53  1265.10  ?   ?    66.514   20.969 0.000000 20.96910 
1 1 1  -22   28    4 o  342.113   17.845 48718.21  4939.77 55717.67  9136.52 45827.02  5872.02  356.640   31.887  329.637   22.066 27.00378 38.77781 
1 1 1  -22   28    5 f  255.653   15.760 27152.12  3255.47 34136.09  6237.97 24538.00  3816.41  280.424   27.761  241.465   19.635 38.95909 34.00314 
1 1 1  -22   28    6 o  224.808   15.643 21061.74  2837.54 19555.30  5508.92 21605.74  3310.47  207.163   33.925  226.712   18.135 -19.54970 38.46817 
1 1 1  -22   28    7 o  248.850   15.924 25892.11  3200.76 27691.78  6035.79 25188.02  3775.31  248.189   30.599  243.826   19.225 4.363281 36.13747 
1 1 1  -22   28    8 o  258.668   17.989 28324.03  3754.77 32265.02  6178.23 26015.91  4728.14  267.920   28.855  243.880   24.196 24.03925 37.65743 
1 1 1  -22   28    9 o  171.166   16.796 12455.11  2304.24 10613.66  4295.58 13199.05  2730.30  146.529   36.293  174.888   19.562 -28.35846 41.22954 
1 1 1  -22   28   10 o  115.585   17.104  5774.42  1556.78 11688.58  3422.61  4231.65  1748.08  159.040   27.499   96.558   22.682 62.48228 35.64649 
1 1 1  -22   28   11 o  207.866   17.486 18607.93  2923.83 16782.99  5278.45 19415.72  3511.81  180.473   37.256  209.859   20.887 -29.38600 42.71129 
1 1 1  -22   28   12 o  206.812   11.736 17910.15  1962.61 13905.84  5180.12 18581.28  2120.72  157.772   40.293  210.248   12.478 -52.47522 42.18130 
1 1 1  -22   28   13 o   80.917   9.4031  2748.36  606.278  1813.56  3150.43  2784.31  617.826   74.473   31.139   81.417   9.5258 -6.944252 32.56329 
1 1 1  -22   28   14 o   90.631   9.6964  3458.33  702.480  4785.68  3200.82  3391.16  720.035   93.543   33.376   89.612   10.070 3.930481 34.86209 
1 1 1  -22   28   15 o   33.682   12.199  415.178  429.420 -1558.2080  3608.88  443.519  432.492   59.785   28.251   34.340   12.267 25.44429 30.79972 
1 1 1  -22   28   16 o   71.325   11.348  2217.60  635.162 -3001.8811  4088.02  2346.71  642.970   57.297   27.837   73.508   11.120 -16.21144 29.97559 
1 1 1  -22   28   17 o   38.192   14.057  566.017  573.483 -4872.1489  4275.97  665.628  578.711   52.437   26.045   40.090   14.204 12.34690 29.66635 
1 1 1  -22   28   18 o  129.384   22.148  8994.10  2243.12  2095.18  5761.88 10226.46  2435.24   66.065   32.305  137.359   22.622 -71.29406 39.43808 
1 1 1  -22   28   19 o   76.780   24.054  3808.11  1667.48   0.0000   0.0000  3808.11  1667.48  ?   ?    76.780   24.054 0.000000 24.05355 
1 1 1  -22   30    1 o  124.890   21.385  6780.70  2090.58   0.0000   0.0000  6780.70  2090.58  ?   ?   124.890   21.385 0.000000 21.38486 
1 1 1  -22   30    2 o   84.673   22.191  3167.76  1544.16   0.0000   0.0000  3167.76  1544.16  ?   ?    84.673   22.191 0.000000 22.19113 
1 1 1  -22   30    3 o  242.679   19.832 25063.68  3873.67   0.0000   0.0000 25063.68  3873.67  ?   ?   242.679   19.832 0.000000 19.83188 
1 1 1  -22   30    4 o  142.648   17.722  8673.21  2008.41  7441.49  4461.28  8986.29  2249.22  123.459   39.426  144.460   19.688 -21.00055 44.06865 
1 1 1  -22   30    5 o   40.239   17.431 -81.8998  1050.28  611.469  2907.03 -185.9928  1126.36   69.391   29.508   40.755   17.846 28.63657 34.48490 
1 1 1  -22   30    6 o   35.504   16.167 -580.6182  1025.58  1089.60  2758.27 -848.5728  1104.79   70.683   29.309   35.249   16.316 35.43401 33.54491 
1 1 1  -22   30    7 o  150.017   17.684  9667.83  2112.73 10295.35  5002.28  9531.59  2330.83  139.680   41.253  147.886   19.917 -8.206085 45.80983 
1 1 1  -22   30    8 o  273.026   20.423 32455.17  4494.84 34114.63  7692.57 31594.89  5538.71  260.861   37.387  263.764   26.209 -2.903015 45.65846 
1 1 1  -22   30    9 o  135.613   18.554  8047.91  1989.45  7577.65  4177.36  8185.85  2262.51  119.275   38.157  135.307   21.298 -16.03114 43.69865 
1 1 1  -22   30   10 o  146.215   18.926  9429.77  2194.24  3855.58  4612.90 11059.86  2494.53   93.529   38.249  157.861   19.904 -64.33221 43.11823 
1 1 1  -22   30   11 o   56.104   20.494  1232.99  1215.53  819.939  3677.12  1283.67  1287.94   72.770   32.045   57.311   21.071 15.45973 38.35162 
1 1 1  -22   30   12 o   84.043   9.2555  2965.36  621.124 -768.4680  4046.97  3055.44  628.571   67.590   31.266   85.334   9.2182 -17.74432 32.59634 
1 1 1  -22   30   13 o   77.130   9.7100  2520.61  594.627  1617.73  4085.59  2540.16  601.026   75.311   33.439   77.410   9.7805 -2.099335 34.83956 
1 1 1  -22   30   14 o  125.796   10.230  6707.63  1035.88  9526.40  4833.94  6571.96  1060.52  113.283   40.946  124.314   10.608 -11.03114 42.29763 
1 1 1  -22   30   15 o  245.477   15.223 27021.12  3019.25 17757.55  8058.62 28533.79  3256.45  116.611   49.337  250.934   16.067 -134.3230 51.88744 
1 1 1  -22   30   16 o   79.099   23.701  3462.86  1642.11  9163.27  5246.74  2843.84  1728.97   93.312   39.661   71.145   24.597 22.16663 46.66895 
1 1 1  -22   30   17 o   41.360   18.631   39.917  1318.19  507.029  5429.24   10.656  1358.85   61.439   30.303   41.624   18.817 19.81534 35.67015 
1 1 1  -22   30   18 o   84.627   25.409  4863.39  1885.94   98.820  6514.87  5299.18  1970.30   56.503   28.603   87.965   25.865 -31.46167 38.56321 
1 1 1  -22   32    1 o  257.622   21.531 28882.00  4462.56   0.0000   0.0000 28882.00  4462.56  ?   ?   257.622   21.531 0.000000 21.53092 
1 1 1  -22   32    2 o   91.714   25.543  3861.82  1972.61   0.0000   0.0000  3861.82  1972.61  ?   ?    91.714   25.543 0.000000 25.54316 
1 1 1  -22   32    3 o  201.614   21.579 17817.66  3477.65   0.0000   0.0000 17817.66  3477.65  ?   ?   201.614   21.579 0.000000 21.57855 
1 1 1  -22   32    4 o  350.364   24.900 54926.25  7037.49   0.0000   0.0000 54926.25  7037.49  ?   ?   350.364   24.900 0.000000 24.89989 
1 1 1  -22   32    5 o  120.550   21.168  6487.66  1996.37  9705.33  5467.47  5992.68  2144.43  131.439   43.764  114.429   23.853 17.00997 49.84253 
1 1 1  -22   32    6 o   69.146   22.521  2100.18  1450.80  2556.24  4021.70  2031.95  1555.54   85.807   35.470   68.704   23.344 17.10239 42.46267 
1 1 1  -22   32    7 o  225.158   19.570 22252.40  3542.22 18825.48  7295.90 23309.33  4051.81  172.816   49.476  228.125   22.154 -55.30948 54.20969 
1 1 1  -22   32    8 o  370.212   22.301 61726.68  6672.45 69019.86 12923.31 59075.84  7791.26  336.605   48.699  353.568   27.352 -16.96335 55.85489 
1 1 1  -22   32    9 f  166.528   20.334 12487.11  2692.39 19483.44  6072.17 10775.02  3003.81  182.654   41.841  150.531   25.485 32.12283 48.99191 
1 1 1  -22   32   10 o  114.047   22.801  6150.92  2037.64  4422.32  5941.15  6381.36  2169.21   94.045   41.088  115.406   23.934 -21.36105 47.55091 
1 1 1  -22   32   11 o   97.633   23.492  4657.43  1839.76 12320.06  5343.51  3626.94  1959.57  133.515   43.203   84.734   25.999 48.78034 50.42228 
1 1 1  -22   32   12 o  133.330   10.285  7522.63  1104.81  6327.64  5961.91  7565.13  1124.28   94.429   41.211  133.624   10.445 -39.19461 42.51376 
1 1 1  -22   32   13 o   66.239   10.231  1894.90  532.555  3296.35  5427.50  1881.28  535.137   79.721   36.636   65.959   10.331 13.76252 38.06434 
1 1 1  -22   32   14 o   83.668   10.652  3039.77  707.243 -2527.2251  5894.70  3121.08  712.389   63.910   31.532   84.833   10.572 -20.92255 33.25693 
1 1 1  -22   32   15 o   78.295   25.036  3632.67  1798.53  3542.79  6168.22  3641.02  1880.23   70.735   34.326   77.646   25.655 -6.911026 42.85397 
1 1 1  -22   32   16 o   64.793   24.309  2643.28  1730.70  6257.20  6411.27  2359.24  1797.43   68.813   33.738   61.822   24.354 6.990753 41.60995 
1 1 1  -22   32   17 o   43.829   19.863  463.796  1524.61  231.741  6515.79  477.237  1568.15   54.776   27.821   44.204   20.076 10.57190 34.30787 
1 1 1  -22   34    1 o  156.994   25.419 11420.81  3129.51   0.0000   0.0000 11420.81  3129.51  ?   ?   156.994   25.419 0.000000 25.41907 
1 1 1  -22   34    2 o  158.158   24.275 11491.93  3017.75   0.0000   0.0000 11491.93  3017.75  ?   ?   158.158   24.275 0.000000 24.27464 
1 1 1  -22   34    3 o  229.374   23.819 23977.85  4371.44   0.0000   0.0000 23977.85  4371.44  ?   ?   229.374   23.819 0.000000 23.81895 
1 1 1  -22   34    4 o  144.439   25.187  9775.98  2846.51   0.0000   0.0000  9775.98  2846.51  ?   ?   144.439   25.187 0.000000 25.18692 
1 1 1  -22   34    5 o   97.670   27.271  4678.29  2245.52   0.0000   0.0000  4678.29  2245.52  ?   ?    97.670   27.271 0.000000 27.27091 
1 1 1  -22   34    6 o  127.950   23.565  7681.52  2358.03  5598.21  6537.97  7993.04  2528.19  101.518   43.733  129.561   24.937 -28.04356 50.34291 
1 1 1  -22   34    7 o  206.996   22.097 19738.80  3656.55 22225.97  8453.21 19166.30  4055.61  166.327   54.371  200.143   25.538 -33.81625 60.07027 
1 1 1  -22   34    8 o   76.243   25.461  2818.56  1850.11  1446.35  5823.18  2972.63  1951.21   82.336   37.878   77.926   26.146 4.409546 46.02570 
1 1 1  -22   34    9 f  142.812   23.322  9830.40  2611.02 13475.78  7448.38  9319.68  2787.93  121.830   49.047  136.311   26.140 -14.48137 55.57832 
1 1 1  -22   34   10 o  210.478   22.628 21393.29  3806.40 21086.00  9135.44 21457.85  4187.18  132.788   54.011  206.560   25.507 -73.77206 59.73119 
1 1 1  -22   34   11 o   75.549   25.390  3018.56  1840.03 -4870.0811  6766.14  3648.55  1912.09   66.285   32.896   82.338   25.751 -16.05294 41.77644 
1 1 1  -22   34   12 o   78.472   26.573  3516.29  2015.64  7348.64  7184.56  3188.88  2099.98   85.412   40.209   74.811   26.996 10.60130 48.43034 
1 1 1  -22   34   13 o   81.492   27.179  4114.60  2108.34 13588.18  7696.90  3346.10  2192.19   90.949   42.426   73.447   27.397 17.50137 50.50330 
1 1 1  -22   34   14 o   59.458   22.639  1973.56  1514.05 -12753.7305  7781.81  2553.00  1543.55   53.210   27.295   65.787   23.209 -12.57641 35.82834 
1 1 1  -22   34   15 o   43.437   19.388  427.147  1392.29  1329.80  8132.45  399.892  1413.15   58.967   30.057   43.415   19.444 15.55229 35.79800 
1 1 1  -22   36    1 o  126.979   30.385  8342.40  3090.91   0.0000   0.0000  8342.40  3090.91  ?   ?   126.979   30.385 0.000000 30.38508 
1 1 1  -22   36    2 o  215.840   26.581 22610.29  4559.94   0.0000   0.0000 22610.29  4559.94  ?   ?   215.840   26.581 0.000000 26.58057 
1 1 1  -22   36    3 o  141.439   29.264 10216.46  3249.92   0.0000   0.0000 10216.46  3249.92  ?   ?   141.439   29.264 0.000000 29.26358 
1 1 1  -22   36    4 o   55.982   24.110  483.381  1986.18   0.0000   0.0000  483.381  1986.18  ?   ?    55.982   24.110 0.000000 24.11017 
1 1 1  -22   36    5 o  123.010   29.878  8035.75  2954.62   0.0000   0.0000  8035.75  2954.62  ?   ?   123.010   29.878 0.000000 29.87829 
1 1 1  -22   36    6 o  116.087   28.981  7188.69  2723.29  8538.93  9508.95  7068.04  2842.34   99.929   46.792  113.700   30.256 -13.77103 55.72159 
1 1 1  -22   36    7 o  110.668   28.906  6676.60  2625.83  4186.60  8256.88  6956.76  2769.62   88.073   41.941  111.948   29.903 -23.87559 51.50967 
1 1 1  -22   36    8 o  108.785   29.162  6655.71  2628.50  4383.29  8572.23  6891.54  2761.52   85.501   41.242  109.624   30.104 -24.12256 51.06030 
1 1 1  -22   36    9 o   70.408   27.307  2611.04  2231.07  9870.03  8241.23  2036.96  2317.61   92.317   43.334   66.057   27.074 26.26008 51.09636 
1 1 1  -22   36   10 o   71.796   26.886  2949.77  2115.19  319.530 10372.83  3063.89  2160.59   73.837   37.220   72.745   27.187 1.092171 46.09201 
1 1 1  -22   36   11 o   59.228   24.503  1702.74  1921.37 -5364.3701  9128.14  2030.37  1965.40   63.946   32.523   61.956   25.106 1.990818 41.08593 
1 1 1  -22   36   12 o   47.298   21.652  176.491  1870.76  2522.35  9420.46   80.181  1908.78   65.861   33.451   47.081   21.669 18.77931 39.85597 
1 1 1  -22   36   13 o  110.858   32.438 10054.25  3105.54  5518.49 11261.93 10427.55  3230.81   62.212   31.964  110.908   33.247 -48.69572 46.12034 
1 1 1  -22   38    1 o  152.016   34.283 13635.28  4130.75   0.0000   0.0000 13635.28  4130.75  ?   ?   152.016   34.283 0.000000 34.28318 
1 1 1  -22   38    2 o  166.692   34.334 16394.58  4492.29   0.0000   0.0000 16394.58  4492.29  ?   ?   166.692   34.334 0.000000 34.33353 
1 1 1  -22   38    3 o   66.326   28.370  1628.34  2715.62   0.0000   0.0000  1628.34  2715.62  ?   ?    66.326   28.370 0.000000 28.36979 
1 1 1  -22   38    4 o  136.420   35.587 11865.43  3983.22   0.0000   0.0000 11865.43  3983.22  ?   ?   136.420   35.587 0.000000 35.58701 
1 1 1  -22   38    5 o  104.656   33.705  7186.42  3255.23   0.0000   0.0000  7186.42  3255.23  ?   ?   104.656   33.705 0.000000 33.70501 
1 1 1  -22   38    6 o   88.216   32.338  5201.92  3030.53   0.0000   0.0000  5201.92  3030.53  ?   ?    88.216   32.338 0.000000 32.33820 
1 1 1  -22   38    7 o   94.274   32.483  6193.01  3013.93 16312.67 11501.75  5446.91  3123.05   88.161   43.599   87.361   32.679 0.7999725 54.48639 
1 1 1  -22   38    8 o   30.277   15.258 -4497.2451  1737.25  1107.13  9762.68 -4680.5132  1765.42   70.133   35.445   30.252   15.263 39.88121 38.59177 
1 1 1  -22   38    9 o   44.116   21.031 -1012.2290  2088.14  4147.69 10897.58 -1208.9030  2127.56   68.895   35.087   43.722   20.948 25.17297 40.86491 
1 1 1  -22   38   10 o   65.550   27.617  3082.53  2508.03 -12461.4199 11675.80  3834.45  2567.98   57.742   29.788   70.441   28.642 -12.69926 41.32401 
1 1 1  -22   38   11 o   73.563   29.860  5057.07  2785.18  3465.28 13200.87  5131.23  2849.32   59.801   30.881   73.462   30.054 -13.66121 43.09186 
1 1 1  -22   40    1 o   64.702   29.784  1643.23  3608.02   0.0000   0.0000  1643.23  3608.02  ?   ?    64.702   29.784 0.000000 29.78407 
1 1 1  -22   40    2 o  113.725   38.986 11404.02  4338.96   0.0000   0.0000 11404.02  4338.96  ?   ?   113.725   38.986 0.000000 38.98585 
1 1 1  -22   40    3 o   81.955   34.236  5737.38  3803.44   0.0000   0.0000  5737.38  3803.44  ?   ?    81.955   34.236 0.000000 34.23622 
1 1 1  -22   40    4 o   84.287   34.792  6510.78  3861.47   0.0000   0.0000  6510.78  3861.47  ?   ?    84.287   34.792 0.000000 34.79234 
1 1 1  -22   40    5 o  130.645   41.779 17083.74  5008.35   0.0000   0.0000 17083.74  5008.35  ?   ?   130.645   41.779 0.000000 41.77911 
1 1 1  -22   40    6 o   70.236   31.252  4306.90  3587.21   0.0000   0.0000  4306.90  3587.21  ?   ?    70.236   31.252 0.000000 31.25195 
1 1 1  -22   40    7 o   64.567   29.370  3422.55  3373.05   0.0000   0.0000  3422.55  3373.05  ?   ?    64.567   29.370 0.000000 29.37020 
1 1 1  -21    1    3 o  544.225   21.406 120834.40  9459.38 119680.20 16427.13 121407.00 11570.21  537.562   37.877  544.859   26.153 -7.296509 46.02908 
1 1 1  -21    1    4 o  698.630   33.659 200263.50 19093.37 197912.30 27029.28 202605.41 26975.01  688.990   48.627  697.406   47.927 -8.415955 68.27612 
1 1 1  -21    1    5 o  493.677   16.931 99179.40  6786.64 98131.72  9594.26 100228.60  9601.25  490.468   24.091  495.704   23.854 -5.235626 33.90318 
1 1 1  -21    1    6 o  579.479   19.786 136722.41  9309.66 138898.50 13159.22 134542.00 13172.48  583.255   27.786  573.979   28.264 9.276062 39.63508 
1 1 1  -21    1    7 o  1240.47   60.018 639931.62 60451.49 638207.12 85499.79 641655.38 85482.86  1220.45   86.846  1223.95   86.574 -3.500122 122.6265 
1 1 1  -21    1    8 o  424.728   20.655 73442.10  7123.17 70784.71 10054.67 76119.70 10092.82  415.266   30.022  430.856   29.019 -15.59076 41.75410 
1 1 1  -21    1    9 o  711.387   23.738 206304.41 13711.79 208277.20 19387.91 204330.20 19394.90  713.334   33.473  706.484   33.810 6.849487 47.57722 
1 1 1  -21    1   10 o  736.341   24.602 221427.30 14709.23 216289.00 20797.56 226570.00 20806.42  725.489   35.306  742.733   34.501 -17.24420 49.36369 
1 1 1  -21    1   11 o  528.177   17.871 113807.60  7664.04 116709.30 10835.27 110902.30 10841.91  533.634   25.007  520.056   25.675 13.57806 35.84083 
1 1 1  -21    1   12 o  416.422   20.688 71055.40  6994.90 70479.55  9891.56 71631.41  9892.99  411.690   29.792  415.138   29.542 -3.448181 41.95588 
1 1 1  -21    1   13 o   98.211   6.1459  3935.05  487.637  3623.58  665.133  4297.03  717.034   93.968   8.8207  102.411   8.7055 -8.443016 12.39314 
1 1 1  -21    1   14 o  216.513   8.4242 19072.82  1480.99 19512.88  2089.04 18628.19  2099.87  218.452   11.821  213.382   12.170 5.070999 16.96650 
1 1 1  -21    1   15 o  248.154   9.3675 25080.42  1887.47 24923.55  2665.67 25238.14  2672.92  246.616   13.362  248.180   13.313 -1.564560 18.86191 
1 1 1  -21    1   16 o  252.365   9.7264 25963.76  1993.05 25181.23  2812.13 26753.54  2825.12  247.589   14.046  255.301   13.678 -7.712418 19.60577 
1 1 1  -21    1   17 o  239.501   9.4181 23398.41  1831.51 24549.69  2585.89 22239.52  2594.43  244.446   13.076  232.465   13.807 11.98097 19.01599 
1 1 1  -21    1   18 o   80.557   6.9966  2663.61  453.097  2859.84  633.786  2458.48  648.002   83.119   9.5652   76.785   10.683 6.334099 14.33933 
1 1 1  -21    1   19 o  287.924   10.826 34088.22  2530.86 33542.37  3577.08 34635.35  3581.27  283.283   15.612  288.001   15.370 -4.717407 21.90813 
1 1 1  -21    1   20 o   82.699   7.7730  2827.52  515.822  3244.98  723.017  2394.79  736.125   88.085   10.304   74.923   12.544 13.16217 16.23311 
1 1 1  -21    1   21 o  134.250   7.9870  7441.98  866.704  6808.28  1214.95  8098.62  1236.75  127.078   11.914  139.031   11.047 -11.95393 16.24698 
1 1 1  -21    1   22 o   60.298   10.916  1567.28  514.746  1651.34  719.423  1479.10  736.809   60.830   14.724   57.470   15.454 3.360134 21.34543 
1 1 1  -21    1   23 o   57.796   12.413  1479.66  565.130  1701.09  837.854  1294.85  765.470   60.720   16.544   53.459   16.219 7.261024 23.16783 
1 1 1  -21    1   24 o   53.068   13.089  1282.04  560.497  1716.01  819.212  900.101  768.538   60.161   16.345   45.866   16.356 14.29516 23.12289 
1 1 1  -21    1   25 o  114.330   10.738  5752.91  985.177  6250.26  1356.64  5197.99  1432.99  115.373   14.825  102.051   17.949 13.32208 23.27969 
1 1 1  -21    1   26 o  102.795   10.136  4744.34  834.976  977.873  1144.08  9036.88  1221.37   45.646   18.898  141.313   10.725 -95.66708 21.72876 
1 1 1  -21    3    1 o  203.126   15.776 16897.55  2581.55 16897.55  2581.55   0.0000   0.0000  203.126   15.776  ?   ?  0.000000 15.77608 
1 1 1  -21    3    2 o  380.119   18.624 58879.04  5748.13 60370.47  8162.07 57411.48  8096.50  383.301   26.386  373.662   26.865 9.638916 37.65580 
1 1 1  -21    3    3 o  501.430   24.432 102671.00  9947.49 93883.53 14080.00 111428.30 14055.79  476.415   36.680  520.022   33.466 -43.60684 49.65308 
1 1 1  -21    3    4 o  747.506   29.368 228558.00 17824.95 220108.30 30911.42 232767.41 21817.72  725.746   52.818  753.018   35.683 -27.27240 63.74236 
1 1 1  -21    3    5 o  223.488   9.4424 20291.91  1713.47 23135.95  2997.15 18911.02  2088.43  237.985   15.597  215.371   11.990 22.61456 19.67265 
1 1 1  -21    3    6 o  780.032   26.459 248261.80 16758.37 252131.80 23694.05 244388.00 23705.79  784.173   37.213  771.911   37.822 12.26172 53.05946 
1 1 1  -21    3    7 o  1345.58   65.365 755927.38 71415.63 735846.62 101005.60 776001.31 100988.30  1304.02   96.071  1341.62   93.285 -37.60095 133.9090 
1 1 1  -21    3    8 o  484.603   19.046 95569.72  7494.17 91567.63 12926.24 97596.02  9197.74  471.927   33.960  489.434   23.145 -17.50742 41.09714 
1 1 1  -21    3    9 o  382.395   13.087 59442.55  4063.49 60029.62  5737.04 58851.53  5756.29  384.036   18.398  380.236   18.645 3.800201 26.19381 
1 1 1  -21    3   10 o  493.853   16.813 99308.64  6742.06 101894.50  9524.50 96711.74  9544.95  499.540   23.482  486.589   24.159 12.95163 33.69037 
1 1 1  -21    3   11 o  874.586   29.550 314912.69 20984.24 331070.81 29666.08 298732.50 29686.33  891.032   41.004  844.015   43.466 47.01721 59.75447 
1 1 1  -21    3   12 o  571.737   22.557 134225.30 10471.53 135659.50 12813.06 131340.70 18171.01  573.200   27.530  557.342   40.428 15.85864 48.91154 
1 1 1  -21    3   13 o  510.358   17.638 106614.90  7308.99 107642.60 10326.05 105583.10 10346.93  510.746   24.899  505.739   25.197 5.007660 35.42412 
1 1 1  -21    3   14 o  575.317   19.594 135977.09  9153.14 134729.80 12932.94 137228.91 12956.09  569.199   27.983  574.557   27.772 -5.357361 39.42483 
1 1 1  -21    3   15 o  341.938   12.321 47735.20  3420.85 48290.53  4824.78 47173.84  4850.96  342.542   17.404  338.466   17.713 4.075897 24.83240 
1 1 1  -21    3   16 o  321.128   11.741 42124.43  3061.40 42967.79  4317.61 41271.75  4341.42  322.952   16.521  316.373   16.962 6.578613 23.67786 
1 1 1  -21    3   17 o  273.576   10.270 30561.11  2281.40 30444.84  3219.38 30678.39  3233.44  271.871   14.638  272.913   14.645 -1.042206 20.70610 
1 1 1  -21    3   18 o  167.639   7.6085 11458.21  1035.64 11318.41  1459.64 11599.94  1469.66  165.893   10.897  167.964   10.834 -2.071213 15.36600 
1 1 1  -21    3   19 o   35.437   10.786  518.955  338.127  826.232  411.076 -123.8398  594.556   43.976   11.413   29.616   12.967 14.35963 17.27454 
1 1 1  -21    3   20 o   49.057   8.8933  1019.28  341.199  890.755  439.280  1214.74  541.721   45.481   11.796   52.966   12.750 -7.485546 17.36925 
1 1 1  -21    3   21 o   43.238   10.247  806.569  354.231  928.006  451.506  612.154  571.285   46.237   11.942   40.099   14.122 6.138531 18.49494 
1 1 1  -21    3   22 o   55.537   11.913  1347.76  521.095  1637.16  722.107  1033.31  752.726   60.518   14.815   49.218   16.231 11.29964 21.97577 
1 1 1  -21    3   23 o  117.308   8.5697  5765.58  810.616  6010.66  1099.39  5473.59  1199.97  118.305   11.594  111.789   13.493 6.516579 17.78980 
1 1 1  -21    3   24 o   32.500   12.158  373.816  432.322  219.684  540.203  648.390  721.010   31.902   13.073   41.379   15.654 -9.476990 20.39484 
1 1 1  -21    3   25 o   52.295   13.317  1288.14  566.969  1014.22  672.977  1958.01  1052.42   46.318   15.351   61.008   19.109 -14.69001 24.51108 
1 1 1  -21    3   26 o   65.199   11.586  1988.87  590.877  1950.02  742.498  2055.95  975.745   61.869   14.947   60.292   18.316 1.577122 23.64097 
1 1 1  -21    5    1 o  525.529   25.634 112806.20 10938.34 106333.10 15495.06 119236.20 15443.36  507.056   37.910  537.664   35.576 -30.60721 51.98840 
1 1 1  -21    5    2 o  732.790   35.263 220463.70 20981.67 213217.20 29670.45 227712.30 29674.68  714.440   51.492  739.123   49.735 -24.68304 71.58945 
1 1 1  -21    5    3 o  638.357   30.708 166761.70 15916.55 158507.50 22503.46 175024.59 22515.34  617.954   45.162  650.188   42.889 -32.23383 62.28234 
1 1 1  -21    5    4 o  477.110   23.142 92805.77  8965.13 86726.63 12672.07 98897.50 12685.17  458.831   34.261  490.559   32.023 -31.72833 46.89631 
1 1 1  -21    5    5 o  906.384   34.738 336462.81 25565.75 361761.69 44306.03 323834.59 31302.74  930.530   58.944  887.028   43.462 43.50201 73.23505 
1 1 1  -21    5    6 o  824.119   32.459 277705.50 21720.27 262145.50 37643.63 285471.19 26593.66  792.233   58.941  834.191   39.262 -41.95850 70.82089 
1 1 1  -21    5    7 o   49.917   7.1269  1032.44  280.660  1225.25  399.926  845.328  393.968   54.136   9.4415   44.726   10.939 9.410248 14.44997 
1 1 1  -21    5    8 o  420.560   20.737 72017.37  7081.17   0.0000   0.0000 72017.37  7081.17  ?   ?   420.560   20.737 0.000000 20.73664 
1 1 1  -21    5    9 o  796.245   26.190 258862.59 16932.51 250640.91 23930.20 267106.31 23962.19  781.122   37.730  806.653   36.585 -25.53101 52.55492 
1 1 1  -21    5   10 o  210.124   36.404 18710.33  5986.04  3762.59 10385.66 26146.44  7325.20  141.369   57.555  249.064   37.375 -107.6945 68.62560 
1 1 1  -21    5   11 o  304.524   12.691 37757.82  3138.11 40379.71  5461.10 36465.27  3834.39  313.338   21.597  298.607   15.872 14.73090 26.80167 
1 1 1  -21    5   12 o  246.582   10.710 24751.83  2144.35 25503.46  2612.61 23200.24  3753.69  249.813   12.924  237.176   19.669 12.63716 23.53543 
1 1 1  -21    5   13 o  607.024   20.498 151316.41 10103.08 151066.70 14271.03 151567.20 14304.87  603.031   29.146  604.018   29.167 -0.9879150 41.23363 
1 1 1  -21    5   14 o   87.677   6.1727  3140.13  436.634  3638.89  581.861  2497.26  660.591   94.275   7.6677   77.549   10.783 16.72523 13.23111 
1 1 1  -21    5   15 o  392.441   14.014 62997.13  4465.44 62898.02  6295.64 63097.50  6334.71  390.153   19.940  390.741   20.034 -0.5883789 28.26561 
1 1 1  -21    5   16 o  372.404   13.264 56762.69  4010.89 56420.81  5650.51 57109.88  5694.25  369.284   18.908  371.526   18.939 -2.242035 26.76179 
1 1 1  -21    5   17 o  236.216   9.3151 22765.61  1786.63 22580.23  2510.61 22955.80  2543.06  234.297   13.251  236.229   13.312 -1.931610 18.78346 
1 1 1  -21    5   18 o  302.186   11.207 37441.52  2749.81 37363.35  3863.06 37521.81  3915.11  299.977   15.917  300.537   16.102 -0.5598145 22.64150 
1 1 1  -21    5   19 o   70.066   7.5631  2029.79  423.455  2227.20  547.702  1736.41  667.674   73.085   9.4509   63.574   13.359 9.510155 16.36395 
1 1 1  -21    5   20 o  133.844   7.5209  7366.44  814.036  7277.13  1114.86  7468.43  1191.39  132.247   10.468  133.796   11.066 -1.548035 15.23260 
1 1 1  -21    5   21 o  174.736   8.3330 12590.51  1182.29 13678.32  1668.22 11492.77  1675.82  180.571   11.437  164.880   12.613 15.69101 17.02652 
1 1 1  -21    5   22 o   31.295   11.502  339.152  383.768  383.876  456.194  230.877  709.812   33.615   12.506   36.135   14.916 -2.519646 19.46547 
1 1 1  -21    5   23 o   42.153   12.774  777.256  475.042  463.325  554.494  1643.32  920.991   36.520   13.748   59.362   17.741 -22.84155 22.44476 
1 1 1  -21    5   24 o   19.705   9.1209 -259.1979  345.214   45.935  400.192 -1146.5210  682.441   25.746   10.948   22.879   11.173 2.866835 15.64265 
1 1 1  -21    5   25 o   52.969   12.191  1300.56  513.440  1302.01  612.849  1297.15  940.385   52.085   14.132   51.062   18.104 1.022541 22.96678 
1 1 1  -21    5   26 o   41.064   12.740  818.570  469.090  1173.67  549.918 -130.1210  898.842   48.507   13.478   32.800   15.012 15.70671 20.17526 
1 1 1  -21    7    1 o  787.593   37.812 254629.50 24180.58 231657.00 34159.97 277700.41 34233.15  744.047   56.976  817.016   51.872 -72.96930 77.05193 
1 1 1  -21    7    2 o  401.432   19.802 65619.08  6454.42 65977.80  9187.91 65269.57  9069.11  400.909   28.409  398.774   28.191 2.134735 40.02232 
1 1 1  -21    7    3 o  142.826   8.8264  8318.16  1018.58  8734.59  1466.69  7930.21  1415.64  146.062   12.487  139.105   12.672 6.957047 17.79083 
1 1 1  -21    7    4 f  268.032   13.855 29283.46  3004.98 30594.79  4270.76 27997.72  4228.90  273.477   19.358  261.474   20.072 12.00290 27.88567 
1 1 1  -21    7    5 o  999.322   48.067 411707.41 39002.59 408732.41 55173.55 414679.00 55142.43  985.405   69.400  992.870   68.825 -7.464783 97.74054 
1 1 1  -21    7    6 o  825.320   39.585 279310.09 26527.47 281256.59 37527.07 277365.91 37503.97  822.131   56.561  816.266   56.942 5.864685 80.25936 
1 1 1  -21    7    7 o  1115.78   44.346 511954.00 40176.07 465697.91 69630.52 535038.81 49190.08  1044.99   82.740  1137.46   53.260 -92.46936 98.39994 
1 1 1  -21    7    8 o  350.694   18.121 50185.75  5142.41   0.0000   0.0000 50185.75  5142.41  ?   ?   350.694   18.121 0.000000 18.12117 
1 1 1  -21    7    9 o  404.828   16.819 66721.70  5528.58 52199.53  9609.96 73905.72  6759.11  355.028   33.742  425.857   19.547 -70.82840 38.99532 
1 1 1  -21    7   10 o  152.646   6.6275  9465.92  821.443 10988.76  1155.02  7907.36  1168.49  164.200   8.6942  139.060   10.425 25.13995 13.57421 
1 1 1  -21    7   11 o  469.960   16.620 90179.16  6342.06 94781.32  8953.44 85544.80  8984.70  480.566   22.946  455.611   24.375 24.95551 33.47609 
1 1 1  -21    7   12 o  460.582   18.244 86837.62  6822.69 83139.27  8348.33 94275.57 11839.19  449.024   22.975  475.360   30.840 -26.33603 38.45689 
1 1 1  -21    7   13 o  178.107   7.0347 12896.97  1017.33 11949.46  1413.25 13916.03  1465.64  171.001   10.225  184.627   9.8119 -13.62579 14.17150 
1 1 1  -21    7   14 o  283.082   10.442 32654.07  2400.02 32023.14  3374.53 33299.88  3414.10  279.408   14.928  284.962   14.806 -5.553925 21.02584 
1 1 1  -21    7   15 o  327.965   11.407 43898.32  3037.78 41392.28  4269.83 46466.89  4322.78  317.108   16.641  336.610   15.816 -19.50204 22.95820 
1 1 1  -21    7   16 f  153.763   7.0803  9622.15  883.977  9637.91  1202.57  9603.63  1303.82  153.422   9.7035  153.028   10.558 0.3936005 14.33964 
1 1 1  -21    7   17 o  105.707   6.9225  4569.21  590.885  3965.65  778.137  5391.23  908.116   98.046   9.9104  114.477   9.8662 -16.43094 13.98422 
1 1 1  -21    7   18 o  111.267   6.9693  5067.23  626.460  4584.83  827.154  5716.19  959.373  105.386   9.7778  117.703   10.137 -12.31742 14.08435 
1 1 1  -21    7   19 o   38.438   8.2269  628.025  249.007  853.641  286.198 -74.7816  505.126   44.981   8.1356   27.691   12.042 17.28981 14.53235 
1 1 1  -21    7   20 o   68.416   8.1425  1949.51  443.442  2227.13  558.880  1477.70  728.580   72.834   9.6908   58.049   15.257 14.78548 18.07474 
1 1 1  -21    7   21 o  172.139   8.2990 12228.09  1159.97 10826.68  1573.56 13895.98  1716.66  160.066   12.199  181.722   11.696 -21.65575 16.90040 
1 1 1  -21    7   22 o   78.751   8.6628  2604.50  544.768  2598.17  664.908  2617.44  950.154   77.957   10.794   76.209   15.871 1.747253 19.19332 
1 1 1  -21    7   23 o   81.163   9.5223  2805.03  615.608  2409.45  745.336  3654.14  1091.99   73.728   12.921   89.668   15.563 -15.94002 20.22779 
1 1 1  -21    7   24 o   43.697   11.874  862.521  432.308  732.548  488.340  1333.41  929.506   40.675   13.050   52.995   18.045 -12.32050 22.26924 
1 1 1  -21    7   25 o   59.657   11.037  1615.29  514.942  1735.83  594.928  1255.24  1028.20   61.085   12.418   50.199   18.756 10.88593 22.49409 
1 1 1  -21    7   26 o   39.599   16.821  595.596  942.743   0.0000   0.0000  595.596  942.743  ?   ?    39.599   16.821 0.000000 16.82076 
1 1 1  -21    9    1 o  1135.41   54.867 533864.12 50582.68 518150.19 71512.41 549597.62 71557.03  1103.70   80.350  1138.40   77.882 -34.69641 111.9002 
1 1 1  -21    9    2 o  1032.62   72.508 449929.91 60409.18 449929.91 60409.18   0.0000   0.0000  1032.62   72.508  ?   ?  0.000000 72.50814 
1 1 1  -21    9    3 o  450.850   22.245 82789.63  8143.20 80957.46 11584.13 84579.48 11449.51  443.880   32.364  453.931   31.255 -10.05038 44.99197 
1 1 1  -21    9    4 o  308.172   16.051 38723.95  4002.42 34390.19  5709.79 42910.57  5612.03  289.468   24.524  323.928   21.458 -34.46075 32.58637 
1 1 1  -21    9    5 o  339.952   17.267 47126.60  4750.49 44815.46  6759.57 49382.00  6677.59  330.619   25.373  347.337   23.821 -16.71835 34.80310 
1 1 1  -21    9    6 o  270.853   14.221 29904.42  3116.57 27872.80  4440.69 31876.42  4375.05  260.792   21.153  279.196   19.420 -18.40433 28.71571 
1 1 1  -21    9    7 o  700.446   26.919 200234.30 15309.89 231794.09 26598.65 184598.09 18722.23  749.144   43.920  670.551   34.503 78.59326 55.85173 
1 1 1  -21    9    8 o  763.537   30.280 238664.00 18772.88 237373.91 32593.35 239304.41 22964.65  753.066   53.655  762.984   37.069 -9.917725 65.21418 
1 1 1  -21    9    9 o  271.054   11.612 29880.26  2555.62 31108.55  4507.29 29298.29  3102.55  275.335   20.304  267.900   14.315 7.434906 24.84313 
1 1 1  -21    9   10 o  595.036   23.024 145146.80 11123.80 175464.20 19338.41 130155.10 13598.77  648.382   36.885  560.833   29.971 87.54822 47.52656 
1 1 1  -21    9   11 o  313.551   13.199 40075.86  3360.30 35887.76  5884.86 42102.02  4093.22  294.201   24.868  321.111   15.699 -26.90948 29.40878 
1 1 1  -21    9   12 o  315.718   13.344 40659.32  3420.79 36013.42  5983.13 42915.54  4169.49  294.314   25.282  324.046   15.847 -29.73166 29.83803 
1 1 1  -21    9   13 o  212.750   9.7196 18429.42  1679.02 17435.76  2981.91 18890.70  2031.70  205.436   18.060  214.943   11.685 -9.506897 21.51045 
1 1 1  -21    9   14 o  183.243   7.6111 13660.89  1132.43 13621.56  1579.28 13702.52  1624.68  182.481   10.706  182.988   10.986 -0.5074921 15.33921 
1 1 1  -21    9   15 o  470.014   16.393 90735.46  6255.99 86516.91  8830.03 94987.20  8864.69  455.394   23.964  478.312   22.825 -22.91830 33.09507 
1 1 1  -21    9   16 o  455.024   16.026 85192.29  5921.15 84971.92  8357.51 85414.36  8390.12  450.784   22.909  451.941   22.939 -1.157166 32.41923 
1 1 1  -21    9   17 o   87.463   6.7588  3133.93  476.264  3262.09  613.424  2939.43  755.690   89.004   8.5951   83.972   11.376 5.032394 14.25810 
1 1 1  -21    9   18 o  101.300   7.1575  4208.46  584.929  3570.36  752.739  5181.05  929.320   92.753   10.161  111.896   10.346 -19.14240 14.50108 
1 1 1  -21    9   19 o   92.553   7.5454  3529.93  562.096  4544.50  720.628  1953.58  898.248  104.895   8.5350   66.729   16.636 38.16561 18.69793 
1 1 1  -21    9   20 o  133.762   7.5227  7368.12  813.731  6409.06  1100.20  8526.40  1209.07  123.688   11.072  143.006   10.486 -19.31855 15.24921 
1 1 1  -21    9   21 o   50.060   11.699  1093.02  466.991  1092.93  538.125  1093.28  939.820   49.891   13.112   51.712   18.120 -1.821064 22.36674 
1 1 1  -21    9   22 f   75.284   8.8631  2390.23  531.407  2240.65  623.303  2788.31  1016.82   72.148   10.987   78.216   16.528 -6.067955 19.84672 
1 1 1  -21    9   23 o   63.922   9.4715  1755.49  476.718  2063.63  546.391  773.102  975.601   69.192   10.017   46.253   18.024 22.93935 20.62044 
1 1 1  -21    9   24 o   22.312   9.7542 -38.6519  335.278  122.945  360.271 -1083.6210  916.147   25.836   10.642   28.293   13.605 -2.456728 17.27287 
1 1 1  -21    9   25 o   48.338   11.598  1089.88  449.394  1106.79  497.798  1015.36  1044.77   48.259   12.577   46.690   18.512 1.568333 22.37997 
1 1 1  -21   11    1 o  1578.79   77.259 1047877.00 99039.45 992575.88 140062.20 1103180.00 140063.70  1501.46  115.780  1590.07  109.146 -88.60486 159.1161 
1 1 1  -21   11    2 o  1149.14   80.993 559609.38 75087.59 559609.38 75087.59   0.0000   0.0000  1149.14   80.993  ?   ?  0.000000 80.99282 
1 1 1  -21   11    3 o  679.408   33.631 188689.59 18552.99 167046.20 26315.87 210078.30 26160.60  634.356   51.537  713.497   45.392 -79.14038 68.67670 
1 1 1  -21   11    4 o  193.828   11.567 15319.57  1812.07 12584.79  2627.61 17799.72  2502.29  174.868   18.801  208.718   14.862 -33.85045 23.96616 
1 1 1  -21   11    5 o  317.814   16.589 41193.28  4266.09 37734.88  6100.82 44502.39  5967.69  303.222   25.002  329.776   22.420 -26.55386 33.58228 
1 1 1  -21   11    6 o  247.212   13.587 24920.75  2716.79 21215.34  3900.13 28413.63  3786.63  227.209   21.392  263.640   17.793 -36.43073 27.82497 
1 1 1  -21   11    7 o  315.314   22.877 40772.91  5817.24   0.0000   0.0000 40772.91  5817.24  ?   ?   315.314   22.877 0.000000 22.87716 
1 1 1  -21   11    8 o  593.553   24.307 144119.59 11714.52 135224.50 20408.52 148490.41 14305.98  568.278   44.587  601.458   29.294 -33.18011 53.34937 
1 1 1  -21   11    9 o   98.312   6.3227  3942.92  502.038  7135.86  1035.75  2962.40  573.970  132.111   9.7239   84.952   8.4325 47.15958 12.87092 
1 1 1  -21   11   10 o  312.566   14.331 39844.58  3636.99 27996.35  6417.21 45451.33  4414.43  258.055   31.264  333.611   16.297 -75.55670 35.25681 
1 1 1  -21   11   11 o  123.698   8.9621  6257.10  894.034  7333.48  1402.92  5521.05  1160.11  133.476   13.114  115.714   12.549 17.76228 18.15057 
1 1 1  -21   11   12 o  432.448   17.565 76603.24  6167.50 73846.83 10794.76 77939.07  7514.81  419.217   31.954  435.305   21.261 -16.08740 38.38049 
1 1 1  -21   11   13 o  258.009   11.203 27140.51  2347.00 28844.29  4189.83 26361.42  2833.24  264.122   19.678  253.632   13.810 10.48964 24.04010 
1 1 1  -21   11   14 o  312.651   13.589 39977.50  3449.80 36044.74  6110.13 41817.82  4179.73  293.000   25.951  318.879   16.196 -25.87894 30.59074 
1 1 1  -21   11   15 o   87.966   8.7566  3183.83  617.128  3282.48  1135.98  3142.53  735.054   87.966   16.511   87.114   10.611 0.8524704 19.62655 
1 1 1  -21   11   16 o  253.597   11.703 26319.64  2409.70 22215.45  4346.79 28140.53  2895.32  229.066   23.714  261.494   13.684 -32.42853 27.37890 
1 1 1  -21   11   17 o  178.383   9.7862 13057.16  1412.03 12654.22  2629.11 13220.51  1673.94  173.078   19.022  179.124   11.571 -6.045303 22.26481 
1 1 1  -21   11   18 o   74.538   7.4617  2293.10  445.534  2103.89  544.816  2675.07  774.106   70.947   9.7126   79.546   12.388 -8.599518 15.74196 
1 1 1  -21   11   19 o  202.045   8.7592 16788.14  1436.98 16989.43  2012.69 16578.87  2052.27  201.633   12.353  198.980   12.770 2.653061 17.76708 
1 1 1  -21   11   20 o   25.491   9.8444  178.815  289.010  329.604  331.314 -301.1300  591.086   30.171   10.741   27.320   12.375 2.850365 16.38649 
1 1 1  -21   11   21 o   55.440   9.3810  1311.04  407.229  1385.59  455.124  1011.68  911.974   56.793   10.247   50.086   17.821 6.707573 20.55693 
1 1 1  -21   11   22 o  152.625   8.3542  9721.27  1031.38  8629.23  1384.55 11082.73  1545.93  141.634   12.157  160.782   11.927 -19.14812 17.03061 
1 1 1  -21   11   23 o  140.061   8.8268  8286.90  998.687  8397.40  1316.47  8137.10  1532.79  138.921   11.782  134.725   14.227 4.195786 18.47222 
1 1 1  -21   11   24 o   25.271   10.455  112.724  349.833  -1.9313  368.219  1175.57  1121.10   23.856   10.327   50.478   19.418 -26.62138 21.99379 
1 1 1  -21   11   25 o   48.607   11.264  1105.73  435.884  1192.09  457.820  268.761  1425.26   50.412   11.446   42.135   19.137 8.276646 22.29922 
1 1 1  -21   13    1 o  134.026   8.3611  7324.29  905.358  6740.55  1601.81  7598.31  1097.47  127.788   15.772  136.398   9.9786 -8.609947 18.66391 
1 1 1  -21   13    2 o  512.903   20.714 107100.20  8626.44 101093.20 14955.31 110095.40 10560.28  495.374   37.458  519.692   25.026 -24.31854 45.04893 
1 1 1  -21   13    3 o  245.139   13.920 24507.94  2759.29 21589.71  3986.24 27192.45  3823.29  229.223   21.675  257.855   18.381 -28.63174 28.41939 
1 1 1  -21   13    4 o  344.763   18.118 48507.69  5054.05 43376.19  7233.71 53401.67  7064.32  324.770   27.696  361.079   24.236 -36.30914 36.80270 
1 1 1  -21   13    5 o   59.968   8.4640  1489.82  400.674  1244.33  607.022  1679.36  533.373   54.275   13.756   63.410   10.743 -9.134975 17.45417 
1 1 1  -21   13    6 o  346.225   25.031 49248.43  6989.52   0.0000   0.0000 49248.43  6989.52  ?   ?   346.225   25.031 0.000000 25.03149 
1 1 1  -21   13    7 o  1195.12   59.040 608455.62 57292.02 621710.81 81109.68 595256.81 80936.90  1175.98   85.530  1148.05   87.484 27.92627 122.3475 
1 1 1  -21   13    8 o  660.895   31.488 180527.00 16897.04 201241.91 23982.41 160107.91 23810.56  691.349   42.935  613.505   48.186 77.84326 64.53908 
1 1 1  -21   13    9 o  520.213   19.341 110775.00  8169.65 139689.50 14320.80 96825.19  9947.04  579.893   30.522  484.291   25.384 95.60193 39.69819 
1 1 1  -21   13   10 o  492.282   20.553 99416.74  8215.57 89649.45 14398.98 104131.20 10003.72  459.901   38.925  502.722   24.507 -42.82031 45.99709 
1 1 1  -21   13   11 o  246.817   10.306 24805.58  2065.42 29997.43  3760.88 22563.48  2471.48  270.165   17.234  234.836   13.012 35.32980 21.59490 
1 1 1  -21   13   12 o  358.653   14.815 52592.56  4314.38 55464.52  7645.80 51250.88  5225.86  364.801   25.982  352.940   18.298 11.86185 31.77898 
1 1 1  -21   13   13 o  567.862   22.851 133491.00 10536.39 130935.70 18418.91 134733.91 12845.74  548.997   41.629  567.841   27.861 -18.84363 50.09222 
1 1 1  -21   13   14 o  215.817   10.198 18996.75  1787.07 18244.09  3273.84 19316.20  2132.86  209.373   19.481  217.083   12.149 -7.710144 22.95889 
1 1 1  -21   13   15 o  267.019   12.289 29178.89  2664.40 23519.86  4830.14 31653.96  3194.35  235.348   25.694  277.385   14.231 -42.03645 29.37129 
1 1 1  -21   13   16 o  254.293   11.720 26503.59  2419.88 24859.03  4400.99 27216.27  2897.15  242.230   22.639  256.823   13.945 -14.59207 26.58902 
1 1 1  -21   13   17 o  148.043   9.7303  9020.74  1163.13  8986.58  2212.93  9033.77  1367.22  144.954   19.280  147.758   11.486 -2.803635 22.44220 
1 1 1  -21   13   18 o   26.546   11.554 -72.2383  465.830 -1641.4030  1819.44   37.838  481.892   43.386   20.364   28.580   12.077 14.80578 23.67587 
1 1 1  -21   13   19 o  116.269   10.027  5632.38  937.352  4315.83  2189.38  5927.86  1037.22   95.015   27.069  119.046   10.850 -24.03122 29.16231 
1 1 1  -21   13   20 o   97.321   11.688  4023.68  905.111  2944.45  2526.42  4182.59  969.461   79.679   29.473   99.009   12.326 -19.32996 31.94662 
1 1 1  -21   13   21 o  181.110   11.885 13950.34  1738.13 13251.18  3788.99 14136.68  1956.08  158.226   30.599  181.227   13.388 -23.00064 33.39953 
1 1 1  -21   13   22 o   32.095   14.565 -334.7953  823.229 -2227.7429  2193.98 -24.6128  888.120   43.449   20.934   36.224   15.854 7.225925 26.26040 
1 1 1  -21   13   23 o   58.390   18.241  1671.28  959.693  4118.23  3100.44  1411.99  1009.26   77.784   31.528   54.373   18.793 23.41073 36.70458 
1 1 1  -21   13   24 o   46.926   19.691  838.792  1266.68   0.0000   0.0000  838.792  1266.68  ?   ?    46.926   19.691 0.000000 19.69091 
1 1 1  -21   13   25 o   50.602   21.759  1521.00  1612.82   0.0000   0.0000  1521.00  1612.82  ?   ?    50.602   21.759 0.000000 21.75935 
1 1 1  -21   15    1 o  639.276   25.985 166912.59 13488.01 147221.80 23453.32 176643.50 16487.33  593.956   49.070  656.832   30.914 -62.87524 57.99633 
1 1 1  -21   15    2 o  877.957   35.368 316591.69 25212.50 294077.59 43714.48 327813.81 30862.96  832.483   65.192  891.045   42.658 -58.56219 77.90838 
1 1 1  -21   15    3 o  1013.75   51.336 429532.00 42118.60 370881.00 59671.56 487764.69 59458.41  922.772   80.445  1068.43   68.905 -145.6564 105.9214 
1 1 1  -21   15    4 o  518.287   26.471 110232.80 11102.66 97809.16 15810.86 122318.70 15594.44  484.577   40.557  543.776   35.514 -59.19879 53.90862 
1 1 1  -21   15    5 f  651.495   46.081 178210.41 24219.30   0.0000   0.0000 178210.41 24219.30  ?   ?   651.495   46.081 0.000000 46.08112 
1 1 1  -21   15    6 o  392.712   20.062 63194.97  6375.71 63125.37  9131.26 63261.18  8906.20  390.546   29.002  391.164   28.231 -0.6177673 40.47356 
1 1 1  -21   15    7 o  557.017   27.020 127800.20 12220.38 136527.59 17405.29 119315.40 17161.75  570.685   37.775  532.322   39.998 38.36285 55.01640 
1 1 1  -21   15    8 o  513.722   24.657 108614.50 10285.23 121799.00 14672.87 95877.93 14421.42  539.910   33.637  477.100   37.530 62.80942 50.39808 
1 1 1  -21   15    9 o  341.814   14.977 47699.10  4156.62 50016.41  7434.28 46645.24  5013.47  346.986   26.589  337.053   18.388 9.932953 32.32833 
1 1 1  -21   15   10 o  384.391   21.178 60915.18  6584.34 50698.47  9535.76 70224.90  9102.66  346.180   34.379  410.741   27.452 -64.56128 43.99482 
1 1 1  -21   15   11 o  364.471   15.185 54325.51  4493.82 54133.09  8017.57 54413.66  5426.29  359.826   27.653  363.689   18.436 -3.862976 33.23522 
1 1 1  -21   15   12 o  558.886   22.950 129257.20 10414.54 120987.40 18273.60 133235.50 12674.40  526.876   43.092  565.026   27.626 -38.14954 51.18699 
1 1 1  -21   15   13 o  482.402   19.523 96012.85  7646.99 95996.09 13498.01 96020.79  9279.85  472.663   35.428  480.566   23.782 -7.903229 42.67028 
1 1 1  -21   15   14 o  351.733   15.137 50805.48  4323.16 46047.47  7762.43 52944.88  5205.13  328.573   29.407  358.253   17.894 -29.67911 34.42288 
1 1 1  -21   15   15 o  185.049   9.6910 14022.45  1451.04 13978.83  2847.92 14037.75  1686.35  182.403   19.533  184.868   11.288 -2.464371 22.56002 
1 1 1  -21   15   16 o  179.738   9.6690 13261.43  1405.92 13884.46  2719.26 13034.13  1642.48  181.255   18.748  177.796   11.438 3.459198 21.96133 
1 1 1  -21   15   17 o   49.177   14.044  1031.95  588.614  2350.92  1845.74  882.630  621.041   74.741   25.428   46.296   14.702 28.44479 29.37258 
1 1 1  -21   15   18 o  205.296   11.002 17512.15  1827.25 18583.12  3769.79 17183.26  2089.06  203.818   23.192  202.554   12.767 1.263657 26.47414 
1 1 1  -21   15   19 o  178.047   10.630 13230.12  1529.76 17687.10  3386.63 12087.62  1714.65  198.284   21.373  169.244   12.567 29.03983 24.79375 
1 1 1  -21   15   20 o   77.105   14.501  2622.65  874.541  3216.85  2124.03  2501.35  959.660   80.758   27.279   74.558   16.306 6.200012 31.78090 
1 1 1  -21   15   21 o  156.787   11.921 10526.90  1506.20  9750.02  3219.21 10744.63  1704.24  133.402   30.398  157.293   13.474 -23.89034 33.24996 
1 1 1  -21   15   22 o   70.219   16.581  2325.41  930.237  3165.72  2547.96  2196.18  999.210   74.654   29.118   67.522   17.926 7.132080 34.19333 
1 1 1  -21   15   23 o   33.289   16.090 -1492.1700  1321.05   0.0000   0.0000 -1492.1700  1321.05  ?   ?    33.289   16.090 0.000000 16.08957 
1 1 1  -21   15   24 o   36.357   16.826 -277.4211  1174.16   0.0000   0.0000 -277.4211  1174.16  ?   ?    36.357   16.826 0.000000 16.82615 
1 1 1  -21   15   25 o   44.819   20.547  902.465  1693.26   0.0000   0.0000  902.465  1693.26  ?   ?    44.819   20.547 0.000000 20.54681 
1 1 1  -21   17    1 o  461.866   33.704 88514.29 12552.44   0.0000   0.0000 88514.29 12552.44  ?   ?   461.866   33.704 0.000000 33.70410 
1 1 1  -21   17    2 o  248.596   20.405 25418.04  4082.36   0.0000   0.0000 25418.04  4082.36  ?   ?   248.596   20.405 0.000000 20.40455 
1 1 1  -21   17    3 o   86.969   10.685  3122.65  738.680  4381.43  1212.73  2380.16  931.396  102.624   14.996   75.014   15.791 27.61092 21.77727 
1 1 1  -21   17    4 o  288.474   22.212 34285.99  5162.66   0.0000   0.0000 34285.99  5162.66  ?   ?   288.474   22.212 0.000000 22.21165 
1 1 1  -21   17    5 o  314.588   17.659 40555.88  4492.41 32604.96  6497.90 47836.09  6217.80  279.597   29.046  340.784   22.599 -61.18759 36.80205 
1 1 1  -21   17    6 o  671.207   33.304 187340.59 18150.82 186039.50 25812.55 188613.20 25528.07  658.612   48.612  663.843   47.678 -5.230286 68.09041 
1 1 1  -21   17    7 o  244.837   13.641 24518.59  2701.03 28140.68  3971.70 21402.00  3684.14  261.524   18.830  227.648   20.139 33.87596 27.57056 
1 1 1  -21   17    8 o  554.710   26.796 127238.80 12069.31 140427.30 17227.76 114526.70 16913.73  576.976   36.968  518.898   40.464 58.07825 54.80810 
1 1 1  -21   17    9 o   95.297   17.350  3832.04  1293.02  3832.04  1293.02   0.0000   0.0000   95.297   17.350  ?   ?  0.000000 17.34960 
1 1 1  -21   17   10 f  444.076   21.106 81210.75  7610.13 59277.16 13499.50 91428.25  9213.72  367.365   46.284  469.534   24.250 -102.1688 52.25199 
1 1 1  -21   17   11 o  210.442   10.047 18045.88  1716.69 17406.26  3317.68 18279.75  2006.13  204.576   20.238  211.338   11.737 -6.762024 23.39552 
1 1 1  -21   17   12 o  311.487   12.767 39661.20  3228.90 44134.38  5930.11 37776.16  3849.59  325.496   22.577  303.072   15.697 22.42395 27.49791 
1 1 1  -21   17   13 o  356.384   16.424 52248.04  4752.78 37830.59  8576.80 58637.24  5709.58  293.841   36.752  376.830   18.660 -82.98871 41.21780 
1 1 1  -21   17   14 o  242.469   10.731 24035.30  2112.65 28280.30  4067.03 22466.52  2472.40  260.303   19.381  233.674   13.083 26.62923 23.38394 
1 1 1  -21   17   15 o  152.219   9.6813  9516.83  1190.35  7329.14  2514.94 10148.42  1351.30  129.207   24.875  157.019   10.662 -27.81181 27.06330 
1 1 1  -21   17   16 o   54.867   12.392  1292.13  539.006 -270.3837  1284.65  1625.96  593.802   42.983   18.934   61.698   12.285 -18.71569 22.56977 
1 1 1  -21   17   17 o   79.299   11.188  2651.40  700.365  4659.34  1912.70  2340.49  752.635  100.925   23.738   73.938   13.012 26.98778 27.07045 
1 1 1  -21   17   18 o  201.067   11.063 16862.38  1799.23 16597.27  3742.57 16942.07  2051.91  189.749   24.892  200.726   12.654 -10.97746 27.92386 
1 1 1  -21   17   19 o  167.078   10.853 11712.83  1464.31 13756.61  3531.68 11288.54  1609.14  168.605   26.686  163.304   12.224 5.300751 29.35217 
1 1 1  -21   17   20 o   60.766   17.735  1693.11  929.407 -393.2151  2765.84  1958.67  986.788   57.937   26.448   65.071   18.046 -7.133804 32.01769 
1 1 1  -21   17   21 o   56.628   18.537  1485.83  982.436  5413.30  3066.57  1036.62  1037.10   93.105   32.726   50.442   18.839 42.66302 37.76079 
1 1 1  -21   17   22 o   24.632   12.028 -1292.2791  790.750  7027.32  3421.29 -1761.7870  812.756   96.522   34.499   22.981   11.404 73.54128 36.33524 
1 1 1  -21   17   23 o  138.497   22.563 10682.49  2449.95   0.0000   0.0000 10682.49  2449.95  ?   ?   138.497   22.563 0.000000 22.56291 
1 1 1  -21   17   24 o   32.814   16.106 -1655.3870  1474.30   0.0000   0.0000 -1655.3870  1474.30  ?   ?    32.814   16.106 0.000000 16.10638 
1 1 1  -21   19    1 o  692.462   50.903 205876.20 28419.82   0.0000   0.0000 205876.20 28419.82  ?   ?   692.462   50.903 0.000000 50.90288 
1 1 1  -21   19    2 o  753.857   55.837 246779.09 33934.96   0.0000   0.0000 246779.09 33934.96  ?   ?   753.857   55.837 0.000000 55.83661 
1 1 1  -21   19    3 o  343.107   27.975 48903.53  7725.81   0.0000   0.0000 48903.53  7725.81  ?   ?   343.107   27.975 0.000000 27.97519 
1 1 1  -21   19    5 o  422.260   31.032 74414.90 10565.19   0.0000   0.0000 74414.90 10565.19  ?   ?   422.260   31.032 0.000000 31.03219 
1 1 1  -21   19    6 o  393.556   29.070 64558.34  9223.69   0.0000   0.0000 64558.34  9223.69  ?   ?   393.556   29.070 0.000000 29.06993 
1 1 1  -21   19    7 o  318.259   24.190 42013.05  6204.27   0.0000   0.0000 42013.05  6204.27  ?   ?   318.259   24.190 0.000000 24.18993 
1 1 1  -21   19    9 o  227.130   13.352 21141.21  2451.53 25706.39  3715.52 17621.46  3262.47  249.543   18.468  206.083   19.738 43.45985 27.03128 
1 1 1  -21   19   10 o  313.905   13.033 40261.34  3321.73 48698.66  6219.79 36894.60  3928.97  342.379   22.499  299.545   16.214 42.83398 27.73242 
1 1 1  -21   19   11 o  303.031   12.007 37511.69  2954.24 49291.05  5653.89 33087.88  3464.85  344.838   20.282  283.705   15.095 61.13220 25.28300 
1 1 1  -21   19   12 o  135.218   8.3620  7476.97  913.580 11808.47  2390.40  6736.06  988.632  168.341   17.756  128.166   9.5690 40.17554 20.17023 
1 1 1  -21   19   13 o   68.562   9.0251  1950.55  490.218  3004.74  1457.93  1816.17  520.525   83.311   21.430   65.945   10.038 17.36684 23.66460 
1 1 1  -21   19   14 f   64.838   10.634  1766.25  540.417  1715.60  1524.21  1773.53  577.965   66.476   23.089   64.828   11.396 1.647659 25.74772 
1 1 1  -21   19   15 o  170.229   10.145 11942.79  1395.85  8250.65  2971.83 12987.89  1581.12  134.605   28.099  177.309   11.037 -42.70457 30.18864 
1 1 1  -21   19   16 o   34.860   13.170  375.159  509.897  2987.11  1898.82  172.173  529.339   81.467   25.690   31.844   12.982 49.62299 28.78431 
1 1 1  -21   19   17 o  144.265   10.087  8652.13  1174.19  6185.51  2950.88  9116.15  1279.88  111.349   31.323  147.876   10.733 -36.52703 33.11055 
1 1 1  -21   19   18 f   47.403   14.709  962.625  625.203 -2225.0869  2026.65  1297.90  657.260   43.008   20.563   54.249   14.600 -11.24081 25.21872 
1 1 1  -21   19   19 o   80.891   14.259  2882.51  902.316  1449.88  2560.31  3085.68  964.177   67.017   28.051   83.540   14.754 -16.52316 31.69402 
1 1 1  -21   19   20 o   64.724   16.936  1947.80  900.370  318.038  3224.95  2085.58  937.654   63.159   28.725   66.883   17.176 -3.723946 33.46891 
1 1 1  -21   19   21 o   98.168   14.488  4366.18  1120.09  4562.96  3810.23  4347.57  1171.87   81.198   34.116   97.377   15.328 -16.17886 37.40108 
1 1 1  -21   19   22 o   56.583   22.189  1614.22  1485.69 -4261.6479  3989.49  2560.30  1600.83   49.440   24.654   66.639   23.622 -17.19961 34.14378 
1 1 1  -21   19   23 o   44.138   19.409  596.756  1344.72   0.0000   0.0000  596.756  1344.72  ?   ?    44.138   19.409 0.000000 19.40884 
1 1 1  -21   21    1 o  306.168   17.687 38468.91  4378.33   0.0000   0.0000 38468.91  4378.33  ?   ?   306.168   17.687 0.000000 17.68740 
1 1 1  -21   21    2 o  190.682   11.571 14864.13  1783.05 14229.71  3251.42 15136.98  2132.27  184.837   22.103  192.158   13.757 -7.321426 26.03446 
1 1 1  -21   21    3 o  561.704   23.473 129895.50 10705.72 120866.60 18675.84 134314.50 13065.50  531.305   43.678  569.405   28.260 -38.09955 52.02258 
1 1 1  -21   21    4 o  136.925   10.726  7681.44  1183.00  6147.83  2177.90  8323.31  1408.98  120.244   23.147  142.370   12.310 -22.12630 26.21630 
1 1 1  -21   21    5 o   36.012   15.846 -249.9487  897.771 -249.9487  897.771   0.0000   0.0000   36.012   15.846  ?   ?  0.000000 15.84647 
1 1 1  -21   21    6 o  400.518   31.685 67489.28 10220.19 67489.28 10220.19   0.0000   0.0000  400.518   31.685  ?   ?  0.000000 31.68537 
1 1 1  -21   21    7 o  325.649   27.128 44379.24  7107.94 44379.24  7107.94   0.0000   0.0000  325.649   27.128  ?   ?  0.000000 27.12847 
1 1 1  -21   21    8 o  250.653   23.307 26218.01  4689.08 26218.01  4689.08   0.0000   0.0000  250.653   23.307  ?   ?  0.000000 23.30669 
1 1 1  -21   21   11 o   74.760   10.372  2324.75  612.633   0.0000   0.0000  2324.75  612.633  ?   ?    74.760   10.372 0.000000 10.37177 
1 1 1  -21   21   12 o  101.399   10.754  4251.53  871.857   0.0000   0.0000  4251.53  871.857  ?   ?   101.399   10.754 0.000000 10.75360 
1 1 1  -21   21   13 o  258.875   14.197 27755.89  2972.86   0.0000   0.0000 27755.89  2972.86  ?   ?   258.875   14.197 0.000000 14.19732 
1 1 1  -21   21   14 o   48.503   12.858  1007.82  514.569   0.0000   0.0000  1007.82  514.569  ?   ?    48.503   12.858 0.000000 12.85769 
1 1 1  -21   21   15 o  214.720   12.709 19233.84  2205.97   0.0000   0.0000 19233.84  2205.97  ?   ?   214.720   12.709 0.000000 12.70943 
1 1 1  -21   21   16 o  192.696   11.890 15524.50  1851.29   0.0000   0.0000 15524.50  1851.29  ?   ?   192.696   11.890 0.000000 11.89021 
1 1 1  -21   21   17 o  201.921   12.565 17207.65  2049.81   0.0000   0.0000 17207.65  2049.81  ?   ?   201.921   12.565 0.000000 12.56469 
1 1 1  -21   21   18 o   49.421   16.474  1036.32  774.672   0.0000   0.0000  1036.32  774.672  ?   ?    49.421   16.474 0.000000 16.47432 
1 1 1  -21   21   19 f   82.740   13.835  3027.85  896.651   0.0000   0.0000  3027.85  896.651  ?   ?    82.740   13.835 0.000000 13.83500 
1 1 1  -21   21   20 o  128.740   12.021  7209.53  1242.03   0.0000   0.0000  7209.53  1242.03  ?   ?   128.740   12.021 0.000000 12.02086 
1 1 1  -21   21   21 o   92.367   21.097  4464.91  1547.58   0.0000   0.0000  4464.91  1547.58  ?   ?    92.367   21.097 0.000000 21.09722 
1 1 1  -21   21   22 o   29.148   13.948 -891.1855  936.675   0.0000   0.0000 -891.1855  936.675  ?   ?    29.148   13.948 0.000000 13.94799 
1 1 1  -21   21   23 o   65.752   22.681  3034.65  1469.67   0.0000   0.0000  3034.65  1469.67  ?   ?    65.752   22.681 0.000000 22.68107 
1 1 1  -21   23    1 o  648.494   33.135 176658.30 17389.15   0.0000   0.0000 176658.30 17389.15  ?   ?   648.494   33.135 0.000000 33.13497 
1 1 1  -21   23    2 o  535.757   27.890 119556.20 12090.62   0.0000   0.0000 119556.20 12090.62  ?   ?   535.757   27.890 0.000000 27.88982 
1 1 1  -21   23    3 o  375.456   16.863 57736.97  5140.85 56941.75  9102.07 58109.48  6229.61  367.964   30.746  375.338   20.519 -7.374725 36.96421 
1 1 1  -21   23    4 o  228.556   13.243 21399.10  2447.07 24268.92  4420.55 20131.13  2938.34  241.435   22.820  221.105   16.485 20.33061 28.15180 
1 1 1  -21   23    5 o  162.151   23.318 11083.36  2981.77 11083.36  2981.77   0.0000   0.0000  162.151   23.318  ?   ?  0.000000 23.31804 
1 1 1  -21   23    6 o  149.799   13.303  9240.55  1601.20  9611.45  2603.30  9014.86  2030.74  151.059   21.860  147.220   17.319 3.839066 27.88971 
1 1 1  -21   23    7 o  201.091   14.418 16636.56  2338.55 16534.97  3710.09 16703.54  3012.30  198.338   23.494  200.601   18.710 -2.262756 30.03402 
1 1 1  -21   23    8 o  273.053   16.621 30746.13  3667.47 30751.07  5578.79 30742.38  4866.95  270.191   25.740  271.376   22.284 -1.185211 34.04635 
1 1 1  -21   23    9 o   88.682   14.625  3309.20  1016.41  4977.81  1907.77  2647.83  1201.07  107.467   22.581   78.518   19.036 28.94900 29.53440 
1 1 1  -21   23   10 o  129.232   13.737  6929.61  1419.35  9186.56  2547.60  5913.75  1709.18  146.870   22.043  118.211   18.406 28.65985 28.71751 
1 1 1  -21   23   11 o  163.615   9.1299 10967.60  1208.08 13403.74  3043.26 10511.90  1316.23  177.556   21.551  159.990   10.185 17.56566 23.83612 
1 1 1  -21   23   12 o   42.791   11.086  780.091  388.306  734.990  1921.83  782.011  396.484   60.573   24.721   42.856   11.251 17.71695 27.16045 
1 1 1  -21   23   13 o  125.875   8.5785  6520.43  871.543  8425.69  2391.69  6228.69  935.894  138.576   21.990  122.834   9.4563 15.74263 23.93731 
1 1 1  -21   23   14 o   42.998   13.330  770.726  513.639  815.317  1711.70  766.314  538.453   57.817   23.429   43.103   13.690 14.71422 27.13582 
1 1 1  -21   23   15 f   34.533   14.160  198.397  634.349  250.785  2377.19  194.380  658.216   60.371   26.187   34.993   14.395 25.37724 29.88328 
1 1 1  -21   23   16 o   50.582   14.982  1112.85  658.948 -1259.8250  2783.59  1253.71  678.225   56.151   25.959   53.416   15.013 2.735611 29.98769 
1 1 1  -21   23   17 o   63.238   17.212  1815.71  907.434  3984.66  3121.88  1615.55  948.382   87.620   32.693   59.836   18.030 27.78457 37.33503 
1 1 1  -21   23   18 o   70.392   16.578  2274.79  931.856  1908.14  3420.40  2304.19  968.492   72.616   31.456   70.647   17.073 1.969521 35.79057 
1 1 1  -21   23   19 o   62.102   18.011  1838.53  961.271 -2019.4041  3709.69  2116.22  995.266   56.876   27.357   66.523   17.992 -9.647316 32.74344 
1 1 1  -21   23   20 o   96.715   37.645  8441.99  4252.00  8441.99  4252.00   0.0000   0.0000   96.715   37.645  ?   ?  0.000000 37.64491 
1 1 1  -21   25    1 o  162.643   15.313 10924.30  1998.43   0.0000   0.0000 10924.30  1998.43  ?   ?   162.643   15.313 0.000000 15.31295 
1 1 1  -21   25    2 o  337.825   30.065 48227.11  8160.72   0.0000   0.0000 48227.11  8160.72  ?   ?   337.825   30.065 0.000000 30.06499 
1 1 1  -21   25    3 o  466.747   26.202 91042.77  9889.85 96586.13 14063.09 85618.78 13910.87  474.344   36.801  445.061   38.885 29.28308 53.53832 
1 1 1  -21   25    4 o  451.359   19.784 84012.89  7250.56 86694.79 12811.73 82749.20  8794.40  449.735   35.370  445.537   24.403 4.197632 42.97104 
1 1 1  -21   25    5 o  297.935   15.429 36498.04  3719.62 41202.68  6698.89 34400.99  4472.44  312.840   26.625  288.215   19.221 24.62494 32.83845 
1 1 1  -21   25    6 o  415.280   22.723 71884.76  7633.12 75090.41 11251.31 69151.22 10389.82  418.275   33.407  402.145   32.086 16.13019 46.32030 
1 1 1  -21   25    7 o  363.016   21.263 54918.21  6240.14 51170.80  9310.23 57974.73  8408.30  343.708   33.798  369.437   28.244 -25.72968 44.04567 
1 1 1  -21   25    8 o  108.088   15.359  4900.85  1310.08  4295.25  2535.13  5121.50  1530.24   99.354   29.375  109.986   17.738 -10.63258 34.31535 
1 1 1  -21   25    9 o  333.277   19.931 46513.41  5368.93 44822.11  8145.49 47812.65  7139.26  319.782   31.792  334.046   26.540 -14.26465 41.41404 
1 1 1  -21   25   10 o   46.098   17.005  709.592  839.882  293.432  1931.59  806.617  932.663   57.378   24.209   48.777   17.931 8.600994 30.12610 
1 1 1  -21   25   11 o  233.127   16.417 22827.25  3087.73 21871.58  5003.71 23414.96  3923.95  220.981   28.555  233.751   20.895 -12.77043 35.38299 
1 1 1  -21   25   12 o   58.520   9.4914  1442.16  435.548 -3678.2749  2324.19  1628.52  443.404   43.038   20.928   62.366   9.0180 -19.32752 22.78822 
1 1 1  -21   25   13 o  185.320   10.236 14223.42  1534.34 15482.19  3956.75 14000.63  1664.59  183.007   27.476  183.493   11.226 -0.4862671 29.68123 
1 1 1  -21   25   14 o   89.407   9.9421  3346.06  709.527  3154.72  2771.06  3359.48  733.996   83.873   30.896   89.495   10.288 -5.622261 32.56396 
1 1 1  -21   25   15 o  204.683   11.829 17615.51  1957.59 16189.36  4840.51 17894.38  2140.44  174.603   35.355  205.648   12.884 -31.04472 37.62971 
1 1 1  -21   25   16 o  102.801   10.171  4453.31  837.880  4456.21  2878.30  4453.04  875.809   91.447   31.730  102.613   10.668 -11.16628 33.47504 
1 1 1  -21   25   17 f  111.872   10.280  5302.81  923.383  1571.38  3189.25  5644.22  964.702   69.813   30.308  115.384   10.409 -45.57064 32.04556 
1 1 1  -21   25   18 f   71.159   14.805  2311.08  827.585  794.927  3273.00  2414.64  855.380   64.006   29.044   72.681   14.992 -8.675018 32.68523 
1 1 1  -21   25   19 o   60.586   16.181  1760.89  811.058  2652.63  4554.81  1731.69  824.230   70.478   32.796   59.968   16.438 10.50969 36.68520 
1 1 1  -21   25   20 o   76.830   23.857  3566.70  1644.42  2526.70  5248.51  3679.90  1731.60   64.181   31.263   77.140   24.555 -12.95943 39.75316 
1 1 1  -21   25   21 o   41.999   18.549  498.047  1240.92   0.0000   0.0000  498.047  1240.92  ?   ?    41.999   18.549 0.000000 18.54872 
1 1 1  -21   27    1 o  293.879   19.080 35813.09  4528.13   0.0000   0.0000 35813.09  4528.13  ?   ?   293.879   19.080 0.000000 19.07960 
1 1 1  -21   27    2 o  162.574   16.976 10994.45  2207.83   0.0000   0.0000 10994.45  2207.83  ?   ?   162.574   16.976 0.000000 16.97582 
1 1 1  -21   27    3 o  116.442   15.726  5671.21  1448.79  7612.71  3047.76  5104.40  1646.74  131.688   29.263  109.581   19.208 22.10648 35.00381 
1 1 1  -21   27    4 o  204.017   14.711 17183.78  2420.53 16408.52  4722.66 17460.00  2818.95  193.954   31.035  205.071   17.085 -11.11736 35.42651 
1 1 1  -21   27    5 o  119.444   15.537  5969.84  1471.16  5776.37  3130.85  6024.66  1666.61  114.070   32.326  119.480   17.716 -5.410057 36.86178 
1 1 1  -21   27    6 o  203.758   15.060 17202.49  2473.87 16668.01  4679.52 17409.81  2914.43  194.645   30.620  204.196   17.755 -9.550903 35.39520 
1 1 1  -21   27    7 o  354.227   21.475 52960.27  6147.45 52203.79  9359.39 53534.25  8152.62  341.996   34.162  350.848   28.874 -8.851746 44.72969 
1 1 1  -21   27    8 o  229.324   17.548 22081.06  3242.68 18669.01  5402.72 24002.29  4054.09  201.771   34.199  237.357   21.261 -35.58568 40.26886 
1 1 1  -21   27    9 f  316.966   20.287 42804.63  5193.76 41591.07  8145.80 43635.93  6741.92  300.134   34.027  314.797   26.626 -14.66275 43.20630 
1 1 1  -21   27   10 o  135.792   15.868  7827.84  1716.57  8740.00  3411.07  7518.50  1986.43  135.846   31.532  131.781   19.123 4.065964 36.87738 
1 1 1  -21   27   11 o  156.434   16.509 10450.03  2065.33  6373.27  3820.21 12133.72  2455.05  112.816   36.532  167.765   18.321 -54.94901 40.86824 
1 1 1  -21   27   12 o  156.552   9.6554 10152.36  1221.35  8734.15  3675.10 10328.45  1294.95  131.183   34.164  157.740   10.165 -26.55644 35.64449 
1 1 1  -21   27   13 o  139.182   9.4442  8045.88  1060.98  9155.73  3634.68  7942.50  1109.29  132.938   33.644  138.108   9.9589 -5.170074 35.08683 
1 1 1  -21   27   14 o  110.514   9.8269  5112.81  872.605  2042.50  3576.92  5307.10  899.790   77.769   32.885  112.568   9.9467 -34.79955 34.35617 
1 1 1  -21   27   15 o  209.457   11.677 18569.01  1978.02 20606.72  5087.18 18206.07  2146.96  195.571   33.224  206.497   12.869 -10.92619 35.62945 
1 1 1  -21   27   16 o  115.368   10.816  5668.13  1001.34  2380.26  4100.54  5876.63  1032.60   76.735   33.813  117.416   10.958 -40.68098 35.54376 
1 1 1  -21   27   17 o   48.718   14.613  1075.08  624.016  1104.11  3872.10  1074.31  632.281   67.589   31.017   48.708   14.732 18.88060 34.33802 
1 1 1  -21   27   18 o   41.116   17.801  236.040  1094.17  4915.36  4191.26 -106.1893  1133.47   78.801   34.467   38.803   17.394 39.99801 38.60766 
1 1 1  -21   27   19 f   64.533   23.296  2471.24  1564.02  5593.14  4872.93  2112.70  1651.39   72.023   33.651   60.514   23.486 11.50872 41.03672 
1 1 1  -21   27   20 o   58.890   22.351  2238.53  1472.85   0.0000   0.0000  2238.53  1472.85  ?   ?    58.890   22.351 0.000000 22.35100 
1 1 1  -21   29    1 o   83.469   22.484  3037.40  1557.96   0.0000   0.0000  3037.40  1557.96  ?   ?    83.469   22.484 0.000000 22.48378 
1 1 1  -21   29    2 o  220.189   18.635 20351.91  3300.48   0.0000   0.0000 20351.91  3300.48  ?   ?   220.189   18.635 0.000000 18.63542 
1 1 1  -21   29    3 o  236.814   18.990 23584.56  3620.74   0.0000   0.0000 23584.56  3620.74  ?   ?   236.814   18.990 0.000000 18.98978 
1 1 1  -21   29    4 o  252.545   16.362 26615.70  3337.13 31296.94  6697.28 25069.53  3848.98  264.552   31.816  243.626   19.624 20.92592 37.38128 
1 1 1  -21   29    5 o  231.597   15.666 22394.38  2928.69 30930.48  5680.99 19304.64  3417.87  265.835   26.679  213.096   19.987 52.73883 33.33550 
1 1 1  -21   29    6 o  254.120   16.717 27122.82  3430.14 28160.75  6577.52 26735.11  4020.07  247.103   33.659  250.550   19.925 -3.447449 39.11405 
1 1 1  -21   29    7 o  146.192   16.506  9067.74  1924.99  8867.08  4107.75  9124.21  2179.07  134.589   36.615  145.720   18.859 -11.13144 41.18686 
1 1 1  -21   29    8 o  300.467   20.109 38838.82  4877.75 42255.82  7915.18 36746.59  6193.59  299.789   33.067  285.926   26.997 13.86307 42.68812 
1 1 1  -21   29    9 o  126.986   17.787  6978.57  1783.65  5981.58  3665.89  7287.79  2041.60  109.783   35.801  128.720   20.199 -18.93678 41.10629 
1 1 1  -21   29   10 o  170.475   17.517 12541.01  2390.20 12384.71  4697.88 12595.60  2776.42  153.888   37.858  168.950   20.670 -15.06252 43.13295 
1 1 1  -21   29   11 o  124.071   17.363  6728.47  1701.30  4779.11  3971.38  7166.63  1882.81   97.959   36.810  127.382   18.766 -29.42297 41.31723 
1 1 1  -21   29   12 o  165.272   10.128 11389.85  1352.59 14342.78  4571.39 11106.52  1416.00  164.334   35.312  162.919   10.765 1.414963 36.91602 
1 1 1  -21   29   13 o   67.502   9.8311  1933.68  523.008  5425.05  3470.19  1852.53  529.052   98.817   34.806   65.933   10.212 32.88418 36.27315 
1 1 1  -21   29   14 o  128.016   10.324  6914.92  1063.98  4230.47  4311.30  7089.02  1097.94   87.986   36.577  129.528   10.531 -41.54230 38.06252 
1 1 1  -21   29   15 o  185.444   11.896 14750.78  1781.80 14082.60  5796.20 14820.51  1872.46  131.210   45.055  185.359   12.514 -54.14978 46.76088 
1 1 1  -21   29   16 o  143.286   11.212  8858.09  1294.04 10657.53  5454.99  8750.79  1332.06  106.055   42.221  142.082   11.649 -36.02768 43.79813 
1 1 1  -21   29   17 o   35.108   16.476 -762.8567  1190.20  4681.43  4667.92 -1141.4110  1230.88   75.761   34.496   33.702   16.089 42.05836 38.06376 
1 1 1  -21   29   18 o   46.204   19.875  691.422  1346.45 -2417.0701  5283.87  907.287  1392.41   55.223   27.663   48.366   20.488 6.856960 34.42360 
1 1 1  -21   29   19 o   28.113   13.770 -1435.0291  1059.86   0.0000   0.0000 -1435.0291  1059.86  ?   ?    28.113   13.770 0.000000 13.76960 
1 1 1  -21   31    1 o  211.555   19.921 19172.24  3381.63   0.0000   0.0000 19172.24  3381.63  ?   ?   211.555   19.921 0.000000 19.92092 
1 1 1  -21   31    2 o   78.197   24.805  2668.90  1768.23   0.0000   0.0000  2668.90  1768.23  ?   ?    78.197   24.805 0.000000 24.80537 
1 1 1  -21   31    3 o  165.473   20.409 11849.72  2684.00   0.0000   0.0000 11849.72  2684.00  ?   ?   165.473   20.409 0.000000 20.40889 
1 1 1  -21   31    4 o  189.027   20.226 15442.22  3056.19   0.0000   0.0000 15442.22  3056.19  ?   ?   189.027   20.226 0.000000 20.22597 
1 1 1  -21   31    5 o   87.843   21.723  3465.85  1540.74 11380.47  3902.37  2004.24  1676.99  154.414   32.169   69.706   24.218 84.70847 40.26563 
1 1 1  -21   31    6 o  108.999   20.787  5282.59  1772.57  6793.22  4515.62  5007.42  1927.27  115.295   39.758  105.036   23.216 10.25921 46.03949 
1 1 1  -21   31    7 o  124.019   19.431  6764.36  1892.40  6883.74  4553.16  6739.44  2080.62  114.693   39.901  122.687   21.679 -7.993507 45.41030 
1 1 1  -21   31    8 o  229.187   18.694 22815.30  3448.49 21329.13  6959.08 23299.03  3970.23  193.644   45.100  229.174   21.590 -35.53036 50.00141 
1 1 1  -21   31    9 o   77.404   21.015  2742.61  1354.73  686.136  3792.24  3043.44  1450.44   73.972   32.559   81.311   21.602 -7.339142 39.07366 
1 1 1  -21   31   10 o  179.724   19.728 14401.29  2831.60 11948.57  5881.03 15141.48  3230.73  136.138   45.392  182.141   22.312 -46.00351 50.57916 
1 1 1  -21   31   11 o  202.258   19.598 18377.08  3178.07 22130.36  6498.22 17197.11  3643.55  190.904   42.960  191.210   23.997 -0.3050385 49.20757 
1 1 1  -21   31   12 o   45.480   11.165  904.108  409.267  3232.73  4341.46  883.228  411.098   83.947   35.888   44.943   11.282 39.00407 37.61942 
1 1 1  -21   31   13 o   66.074   10.103  1872.33  524.789  6109.33  3906.49  1794.46  529.590   97.538   36.536   64.537   10.465 33.00163 38.00499 
1 1 1  -21   31   14 o   51.368   12.225  1178.75  502.503  2131.68  4732.44  1167.89  505.360   74.619   34.261   51.102   12.323 23.51674 36.40936 
1 1 1  -21   31   15 o   30.610   12.134  259.906  448.800 -1869.8250  4852.70  278.280  450.732   61.090   29.824   30.983   12.199 30.10769 32.22210 
1 1 1  -21   31   16 o   43.791   19.324  265.912  1344.08  8120.31  4201.69 -629.4530  1418.62   90.544   36.702   38.878   18.162 51.66640 40.95008 
1 1 1  -21   31   17 o   49.663   21.180  1057.48  1505.45  2174.65  5880.62  979.126  1557.34   61.197   30.421   49.302   21.291 11.89473 37.13161 
1 1 1  -21   31   18 o   54.179   22.780  1932.58  1700.84   0.0000   0.0000  1932.58  1700.84  ?   ?    54.179   22.780 0.000000 22.78020 
1 1 1  -21   33    1 o   90.290   26.111  3787.71  2022.83   0.0000   0.0000  3787.71  2022.83  ?   ?    90.290   26.111 0.000000 26.11080 
1 1 1  -21   33    2 o  178.086   22.867 14161.73  3230.14   0.0000   0.0000 14161.73  3230.14  ?   ?   178.086   22.867 0.000000 22.86666 
1 1 1  -21   33    3 o  167.986   22.049 12571.13  2934.84   0.0000   0.0000 12571.13  2934.84  ?   ?   167.986   22.049 0.000000 22.04912 
1 1 1  -21   33    4 o   78.157   25.450  2767.08  1852.79   0.0000   0.0000  2767.08  1852.79  ?   ?    78.157   25.450 0.000000 25.45032 
1 1 1  -21   33    5 o   97.592   24.701  4469.91  1959.03 19951.94  6038.92  2649.02  2071.03  192.767   39.897   77.184   26.907 115.5829 48.12260 
1 1 1  -21   33    6 o   73.885   24.115  2475.65  1663.16  3329.69  5393.90  2385.92  1748.34   93.307   39.949   73.053   24.749 20.25391 46.99344 
1 1 1  -21   33    7 o   91.531   24.769  3999.01  1885.62  2834.10  5568.78  4149.87  2003.99   90.604   39.677   92.826   25.707 -2.221436 47.27745 
1 1 1  -21   33    8 o   93.225   24.267  4173.58  1854.80  3045.62  5462.18  4320.59  1971.97   89.569   39.258   94.358   25.244 -4.788956 46.67388 
1 1 1  -21   33    9 o   29.570   14.451 -1981.1591  1148.09 -1087.1550  4832.39 -2034.6410  1181.93   71.249   33.361   29.996   14.660 41.25324 36.43958 
1 1 1  -21   33   10 o  140.165   22.771  9349.58  2502.59 14730.85  6496.98  8412.03  2711.85  137.512   47.674  129.313   26.712 8.198837 54.64687 
1 1 1  -21   33   11 o   69.328   24.133  2322.13  1665.66  1910.23  5738.95  2360.02  1740.58   79.899   37.056   69.832   24.645 10.06701 44.50239 
1 1 1  -21   33   12 o  155.354   23.286 12012.69  2846.80 12526.50  7363.76 11922.40  3086.80  107.711   46.406  151.434   26.043 -43.72280 53.21463 
1 1 1  -21   33   13 o  113.759   9.6185  5517.51  880.117 12699.72  6727.80  5392.46  887.746  103.898   44.553  112.335   9.8317 -8.437744 45.62458 
1 1 1  -21   33   14 o   56.769   21.620  1570.44  1381.05 -8128.6699  6521.95  2025.76  1413.09   56.366   28.543   62.034   22.172 -5.668491 36.14229 
1 1 1  -21   33   15 o   27.129   13.290 -1538.6210  988.664 -6360.5430  6548.25 -1426.1400  1000.13   54.794   27.836   27.848   13.583 26.94612 30.97285 
1 1 1  -21   33   16 o   41.271   18.565  254.644  1303.63  1391.59  7188.65  215.982  1325.61   58.129   29.492   41.209   18.612 16.91904 34.87397 
1 1 1  -21   35    1 o  106.342   28.967  5630.31  2569.04   0.0000   0.0000  5630.31  2569.04  ?   ?   106.342   28.967 0.000000 28.96737 
1 1 1  -21   35    2 o   39.708   18.757 -1509.2180  1588.01   0.0000   0.0000 -1509.2180  1588.01  ?   ?    39.708   18.757 0.000000 18.75684 
1 1 1  -21   35    3 o   91.008   28.191  4095.91  2297.81   0.0000   0.0000  4095.91  2297.81  ?   ?    91.008   28.191 0.000000 28.19140 
1 1 1  -21   35    4 o   87.106   28.315  3752.72  2293.80   0.0000   0.0000  3752.72  2293.80  ?   ?    87.106   28.315 0.000000 28.31545 
1 1 1  -21   35    5 o   49.210   22.029 -317.7844  1811.50   0.0000   0.0000 -317.7844  1811.50  ?   ?    49.210   22.029 0.000000 22.02920 
1 1 1  -21   35    6 o   71.081   25.684  2303.69  1901.70  2746.93  6380.61  2260.48  1992.24   88.538   40.321   70.954   26.187 17.58364 48.07812 
1 1 1  -21   35    7 o   57.932   24.131  908.385  1881.85 -5072.8169  7296.13  1334.64  1947.75   73.103   35.872   61.896   25.024 11.20723 43.73761 
1 1 1  -21   35    8 o   48.238   21.424 -71.6953  1678.36 -962.1774  6256.38  -2.6420  1742.22   75.190   35.998   49.472   21.907 25.71793 42.13986 
1 1 1  -21   35    9 o   85.008   27.060  3867.98  2102.81  7347.59  7430.79  3565.07  2192.42   94.749   43.290   81.511   27.714 13.23800 51.40086 
1 1 1  -21   35   10 o   79.191   26.976  3441.76  2077.25  9920.90  7765.35  2942.39  2155.81   96.336   44.105   74.111   27.259 22.22569 51.84829 
1 1 1  -21   35   11 o  147.550   26.872 11971.29  3100.81 18930.25  9117.66 11061.15  3297.35  106.311   48.331  136.206   30.566 -29.89462 57.18548 
1 1 1  -21   35   12 o   49.921   21.524  693.325  1586.45 19330.99  8061.85 -57.4798  1618.09  104.650   46.687   45.067   20.439 59.58286 50.96472 
1 1 1  -21   35   13 o   49.258   21.932  594.510  1769.63 -21566.9902  8304.78  1648.62  1811.22   50.313   25.917   57.040   23.710 -6.727177 35.12606 
1 1 1  -21   35   14 o   77.757   28.171  4675.86  2290.10  6272.64  9510.55  4577.58  2359.53   63.608   32.429   76.049   28.413 -12.44113 43.11549 
1 1 1  -21   37    1 o  138.523   31.971 10417.37  3523.01   0.0000   0.0000 10417.37  3523.01  ?   ?   138.523   31.971 0.000000 31.97130 
1 1 1  -21   37    2 o  238.524   28.901 29168.11  5483.15   0.0000   0.0000 29168.11  5483.15  ?   ?   238.524   28.901 0.000000 28.90133 
1 1 1  -21   37    3 o   98.872   31.069  5438.81  2779.64   0.0000   0.0000  5438.81  2779.64  ?   ?    98.872   31.069 0.000000 31.06911 
1 1 1  -21   37    4 o   94.948   31.558  5127.31  2843.42   0.0000   0.0000  5127.31  2843.42  ?   ?    94.948   31.558 0.000000 31.55814 
1 1 1  -21   37    5 o  169.281   30.597 15608.55  4050.75   0.0000   0.0000 15608.55  4050.75  ?   ?   169.281   30.597 0.000000 30.59669 
1 1 1  -21   37    6 o   61.411   26.143  1197.81  2286.27   0.0000   0.0000  1197.81  2286.27  ?   ?    61.411   26.143 0.000000 26.14289 
1 1 1  -21   37    7 o   51.755   23.171  116.794  2004.56 -4671.2129  8472.18  400.732  2063.15   70.944   35.462   53.984   23.876 16.95963 42.75013 
1 1 1  -21   37    8 o  141.509   30.525 11797.84  3404.26 10986.02 10641.32 11890.40  3593.09   88.175   43.278  138.952   32.437 -50.77744 54.08461 
1 1 1  -21   37    9 o   48.349   22.157 -166.1607  1966.34 -1184.8790 10360.90 -128.0971  2002.74   71.429   36.149   48.883   22.387 22.54536 42.51910 
1 1 1  -21   37   10 o   55.045   24.366  986.124  2153.22 -1432.0770  9902.15  1106.14  2206.01   67.088   34.096   56.021   24.737 11.06684 42.12439 
1 1 1  -21   37   11 o   89.096   31.005  6164.15  2749.19  6337.78 11494.28  6153.62  2831.37   67.932   34.719   87.880   31.387 -19.94814 46.80340 
1 1 1  -21   37   12 o   66.701   27.289  3435.73  2349.13 -1047.9860 11487.59  3631.41  2399.85   59.525   30.653   67.843   27.649 -8.318985 41.28038 
1 1 1  -21   39    1 o   54.909   25.326 -244.8460  2626.73   0.0000   0.0000 -244.8460  2626.73  ?   ?    54.909   25.326 0.000000 25.32563 
1 1 1  -21   39    2 o   90.904   34.527  5785.51  3516.30   0.0000   0.0000  5785.51  3516.30  ?   ?    90.904   34.527 0.000000 34.52697 
1 1 1  -21   39    3 f   56.282   25.822   97.462  2681.46   0.0000   0.0000   97.462  2681.46  ?   ?    56.282   25.822 0.000000 25.82222 
1 1 1  -21   39    4 o   57.907   26.459  441.747  2776.71   0.0000   0.0000  441.747  2776.71  ?   ?    57.907   26.459 0.000000 26.45915 
1 1 1  -21   39    5 o   66.005   28.827  2130.23  2922.09   0.0000   0.0000  2130.23  2922.09  ?   ?    66.005   28.827 0.000000 28.82713 
1 1 1  -21   39    6 o   65.522   28.830  2260.49  2971.12   0.0000   0.0000  2260.49  2971.12  ?   ?    65.522   28.830 0.000000 28.83002 
1 1 1  -21   39    7 o   72.651   31.023  3948.41  3237.28   0.0000   0.0000  3948.41  3237.28  ?   ?    72.651   31.023 0.000000 31.02252 
1 1 1  -21   39    8 o   60.159   27.076  1912.64  2777.36  1120.14 12755.24  1952.08  2845.64   65.504   33.665   60.459   27.291 5.045498 43.33767 
1 1 1  -21   39    9 o   67.348   29.270  3812.26  2981.27  8060.15 15353.04  3645.81  3039.12   64.022   33.070   66.281   29.161 -2.259018 44.09088 
1 1 1  -21   41    1 o   67.608   31.287  3425.80  4058.86   0.0000   0.0000  3425.80  4058.86  ?   ?    67.608   31.287 0.000000 31.28738 
1 1 1  -21   41    2 o   57.008   27.762 -186.8145  4130.91   0.0000   0.0000 -186.8145  4130.91  ?   ?    57.008   27.762 0.000000 27.76152 
1 1 1  -21   41    3 o   60.593   29.079  1544.42  4136.84   0.0000   0.0000  1544.42  4136.84  ?   ?    60.593   29.079 0.000000 29.07851 
1 1 1  -21   41    4 o  104.960   44.363 20071.35  6504.91   0.0000   0.0000 20071.35  6504.91  ?   ?   104.960   44.363 0.000000 44.36265 
1 1 1  -20    0    3 o   14.170   7.5020  117.347  115.783  117.347  115.783   0.0000   0.0000   14.170   7.5020   14.170   7.5020 0.000000 0.000000 
1 1 1  -20    0    4 o  122.457   8.1193  6169.79  799.168  3588.82  1155.36  8537.50  1106.60   88.992   18.063  144.040   9.5583 0.000000 0.000000 
1 1 1  -20    0    5 o  126.395   8.1192  6567.50  825.373  6175.98  1192.47  6927.59  1143.58  121.442   12.389  129.188   11.090 0.000000 0.000000 
1 1 1  -20    0    6 o  392.347   19.502 63041.08  6177.88 64262.92  8714.17 61806.45  8759.67  394.487   27.513  386.579   28.254 -0.000000 0.000000 
1 1 1  -20    0    7 o  713.699   34.553 209024.00 19916.34 208050.09 28187.43 209994.91 28144.54  708.008   49.591  711.459   49.262 0.000000 0.000000 
1 1 1  -20    0    8 o  186.916   15.084 14468.65  2255.06 14468.65  2255.06   0.0000   0.0000  186.916   15.084  186.916   15.084 -0.000000 0.000000 
1 1 1  -20    0    9 o  948.842   45.656 370437.09 34989.33 384705.31 49505.00 356195.00 49459.80  960.989   64.099  923.178   66.786 0.000000 0.000000 
1 1 1  -20    0   10 o  953.710   45.663 374908.81 35176.13 414603.00 49772.36 335296.81 49720.79  997.202   62.020  892.274   69.602 0.000000 0.000000 
1 1 1  -20    0   11 o  151.317   9.5729  9412.16  1165.39 12368.90  1717.63  6889.96  1586.39  173.155   12.361  127.239   16.049 0.000000 0.000000 
1 1 1  -20    0   12 o  164.660   14.852 11294.67  1948.56 11294.67  1948.56   0.0000   0.0000  164.660   14.852  164.660   14.852 0.000000 0.000000 
1 1 1  -20    0   13 o  337.277   17.163 46683.71  4672.50 47884.83  6643.60 45508.07  6572.79  339.800   24.367  331.007   24.774 0.000000 0.000000 
1 1 1  -20    0   14 o  243.146   13.224 24264.62  2593.08 24755.55  3626.58 23751.08  3709.16  244.356   18.523  239.009   19.407 -0.000000 0.000000 
1 1 1  -20    0   15 o  208.124   11.883 17791.82  1993.15 18690.77  2884.81 16970.75  2757.02  212.124   17.000  201.906   17.099 0.000000 0.000000 
1 1 1  -20    0   16 o  402.000   20.483 66578.74  6646.21 69688.71  9339.78 63388.41  9459.67  408.650   28.465  388.693   30.401 -0.000000 0.000000 
1 1 1  -20    0   17 o  184.333   11.293 13984.46  1675.68 13562.81  2447.70 14356.38  2298.84  179.869   17.116  185.701   15.494 0.000000 0.000000 
1 1 1  -20    0   18 o  248.515   13.985 25438.27  2801.45 23482.62  4046.62 27238.20  3882.18  236.244   21.505  255.774   18.932 0.000000 0.000000 
1 1 1  -20    0   19 o   95.252   11.193  3850.36  834.379  2452.70  1793.47  4236.43  942.600   63.112   30.308   99.748   12.114 0.000000 0.000000 
1 1 1  -20    0   20 o   97.965   11.009  4066.86  847.263  4422.62  991.740  3105.66  1630.15  101.724   12.515   73.665   28.617 -0.000000 0.000000 
1 1 1  -20    0   21 o  259.935   14.317 28089.26  3000.76 32606.02  4476.48 24403.35  4043.85  277.235   20.130  238.604   21.261 0.000000 0.000000 
1 1 1  -20    0   22 o   22.162   14.252   23.544  587.580  234.258  621.535 -1748.3920  1802.37   25.510   15.637   28.893   20.261 -0.000000 0.000000 
1 1 1  -20    0   23 o  173.290   13.016 12636.40  1807.62 12447.71  3196.57 12725.11  2191.70  163.912   25.969  172.385   15.973 0.000000 0.000000 
1 1 1  -20    0   24 o   75.813   17.875  2774.57  955.685  1973.19  1031.70  7619.49  2536.75   57.871   22.838  121.995   29.546 -0.000000 0.000000 
1 1 1  -20    0   25 o   34.659   18.823  757.031  745.976   0.0000   0.0000  757.031  745.976   34.659   18.823   34.659   18.823 0.000000 0.000000 
1 1 1  -20    0   26 o   13.558   9.8127 -1075.4520  572.497   0.0000   0.0000 -1075.4520  572.497   13.558   9.8127   13.558   9.8127 0.000000 0.000000 
1 1 1  -20    2    1 o  318.918   22.683 41769.68  5835.59 41769.68  5835.59   0.0000   0.0000  318.918   22.683  ?   ?  0.000000 22.68340 
1 1 1  -20    2    3 o  151.826   8.9478  9399.21  1098.19  9156.76  1573.24  9629.60  1533.65  149.469   13.095  153.378   12.421 -3.908463 18.04913 
1 1 1  -20    2    4 o  407.376   16.086 67542.85  5320.74 71573.65  9250.17 65549.80  6504.49  417.485   27.441  401.051   19.975 16.43408 33.94082 
1 1 1  -20    2    5 o  845.867   33.141 293145.09 22762.00 277026.09 39451.14 301188.50 27868.39  811.775   60.283  855.584   40.115 -43.80920 72.41084 
1 1 1  -20    2    6 o  392.411   13.663 62603.36  4353.38 64258.71  6148.94 60939.73  6164.32  397.304   19.061  386.372   19.715 10.93198 27.42222 
1 1 1  -20    2    7 o  764.510   25.830 238364.80 16034.14 236684.59 22668.00 240047.30 22683.40  760.057   36.731  765.482   36.495 -5.424683 51.77869 
1 1 1  -20    2    8 f  569.048   27.338 132107.59 12631.37 129908.50 17835.65 134320.50 17891.38  561.490   39.370  571.104   38.813 -9.613708 55.28493 
1 1 1  -20    2    9 o   85.507   5.6615  2982.05  390.848  2434.60  532.321  3622.39  575.711   76.931   8.6733   94.133   7.5969 -17.20266 11.52991 
1 1 1  -20    2   10 f  364.513   12.754 54026.73  3774.77 53355.96  5330.70 54701.36  5346.00  361.496   18.220  366.501   17.965 -5.005432 25.58673 
1 1 1  -20    2   11 o  432.639   14.813 76238.86  5203.68 82143.34  7352.27 70312.34  7365.97  448.454   20.191  414.102   21.986 34.35196 29.85074 
1 1 1  -20    2   12 o  298.159   15.487 36373.21  3736.51 35664.55  5276.41 37086.10  5292.08  294.017   22.267  299.930   21.881 -5.913452 31.21881 
1 1 1  -20    2   13 o  340.077   12.170 47131.97  3360.52 46331.49  4742.69 47939.10  4762.35  336.063   17.441  341.905   17.210 -5.842041 24.50191 
1 1 1  -20    2   14 o  286.632   10.420 33464.15  2425.08 32913.13  3425.27 34017.95  3433.90  283.389   14.939  288.156   14.726 -4.767700 20.97635 
1 1 1  -20    2   15 o  634.460   21.461 166136.70 11055.95 164821.59 15630.39 167453.41 15640.56  626.601   30.721  631.739   30.491 -5.137817 43.28421 
1 1 1  -20    2   16 o   74.833   7.1518  2299.27  429.268  2457.14  594.434  2127.21  620.563   77.036   9.7196   71.369   11.067 5.667366 14.72929 
1 1 1  -20    2   17 o  179.467   7.8656 13119.11  1146.19 13701.77  1615.42 12528.38  1626.57  182.810   10.933  174.679   11.533 8.130844 15.89161 
1 1 1  -20    2   18 o  321.463   11.842 42371.48  3090.86 44509.00  4371.03 40233.75  4371.26  327.571   16.487  311.032   17.378 16.53857 23.95429 
1 1 1  -20    2   19 o  271.085   10.125 30165.35  2228.58 31042.76  3158.43 29295.39  3144.99  273.169   14.289  265.180   14.663 7.989075 20.47426 
1 1 1  -20    2   20 o  143.851   8.0361  8513.00  934.878  9611.68  1318.97  7403.77  1325.29  152.116   10.748  132.883   12.427 19.23347 16.43029 
1 1 1  -20    2   21 o   57.954   9.2758  1420.99  421.767  1083.80  570.078  1828.75  626.899   49.877   13.670   65.098   12.311 -15.22054 18.39667 
1 1 1  -20    2   22 o   41.418   12.873  729.605  478.647  1278.44  632.977  -3.3219  731.473   53.675   14.276   33.821   14.599 19.85375 20.41850 
1 1 1  -20    2   23 o  103.699   8.5308  4506.79  711.921  5075.14  980.879  3874.11  1034.91  108.869   11.259   93.632   14.046 15.23777 18.00128 
1 1 1  -20    2   24 o  107.130   8.8593  4862.15  763.720  4026.98  1076.95  5707.04  1083.20   94.200   14.549  114.327   11.840 -20.12672 18.75805 
1 1 1  -20    2   25 o   98.808   10.683  4299.15  843.453  5631.52  1164.61  2829.35  1223.19  111.087   13.168   72.864   20.046 38.22217 23.98436 
1 1 1  -20    2   26 o   26.490   11.755 -39.9291  504.158 -13.9478  696.958 -68.4461  730.176   30.765   13.726   30.832   13.879 -0.6657982E-01 19.52023 
1 1 1  -20    4    2 o  643.107   44.823 172277.41 23259.28 172277.41 23259.28   0.0000   0.0000  643.107   44.823  ?   ?  0.000000 44.82278 
1 1 1  -20    4    3 o  445.170   21.704 80824.84  7845.36 76501.36 11093.05 85151.38 11096.97  430.810   31.940  454.985   30.210 -24.17502 43.96321 
1 1 1  -20    4    4 o  154.550   9.1563  9738.22  1143.90  9147.65  1616.35 10330.80  1619.09  149.385   13.471  158.907   12.653 -9.522141 18.48144 
1 1 1  -20    4    5 o  720.051   27.739 211755.50 16217.82 218672.91 28115.46 208306.09 19853.73  725.922   47.970  713.039   34.292 12.88281 58.96672 
1 1 1  -20    4    6 o  779.130   30.199 248054.41 19104.70 246350.30 33111.91 248904.80 23390.76  769.467   53.326  779.208   36.970 -9.740601 64.88845 
1 1 1  -20    4    7 o  525.243   20.277 112306.30  8647.69 107342.40 10580.13 122296.80 15009.71  513.109   25.395  545.731   34.043 -32.62201 42.47128 
1 1 1  -20    4    8 o  371.078   14.867 55984.96  4479.57 54321.59  7698.38 56836.47  5508.09  364.034   26.220  373.756   18.150 -9.721649 31.88921 
1 1 1  -20    4    9 o  401.671   13.879 65597.30  4526.59 65636.43  6387.56 65557.81  6415.66  401.499   19.594  401.253   19.692 0.2463379 27.77900 
1 1 1  -20    4   10 o  565.804   18.978 130466.50  8718.72 127289.20 12316.63 133657.80 12343.69  557.753   27.196  571.633   26.594 -13.88013 38.03821 
1 1 1  -20    4   11 o  737.713   25.266 223240.41 15134.59 237800.00 21390.53 208645.30 21416.57  757.920   34.758  707.955   37.389 49.96429 51.05013 
1 1 1  -20    4   12 o  176.979   8.3033 12735.78  1193.19 12702.27  1449.02 12806.37  2102.95  176.387   10.160  176.559   14.806 -0.1722565 17.95664 
1 1 1  -20    4   13 o  264.782   9.6422 28533.31  2073.01 28274.08  2913.88 28798.98  2949.82  262.897   13.698  265.327   13.739 -2.429932 19.40104 
1 1 1  -20    4   14 o  103.378   6.2986  4360.20  526.181  4384.17  705.702  4330.19  789.613  103.458   8.4751  102.687   9.5809 0.7712250 12.79143 
1 1 1  -20    4   15 o  483.339   16.969 95855.32  6659.59 99044.16  9402.98 92645.95  9433.26  488.874   23.688  471.800   24.710 17.07434 34.23051 
1 1 1  -20    4   16 o  269.114   10.060 29535.19  2198.15 29198.64  3091.47 29879.33  3126.14  266.585   14.335  269.684   14.328 -3.099731 20.26737 
1 1 1  -20    4   17 o  308.214   11.376 38840.34  2846.93 38663.38  4011.67 39019.89  4040.82  305.996   16.204  307.392   16.247 -1.397034 22.94659 
1 1 1  -20    4   18 o  153.445   7.1762  9595.61  894.099  9352.17  1235.76  9863.05  1295.23  150.865   10.147  154.911   10.357 -4.045151 14.49936 
1 1 1  -20    4   19 o   78.354   7.7172  2533.15  484.599  2494.00  615.895  2596.78  785.182   77.308   10.049   78.291   12.794 -0.9823608 16.26842 
1 1 1  -20    4   20 o  216.487   8.9271 19277.25  1569.21 18820.13  2190.29 19759.33  2249.29  212.114   12.777  217.347   12.802 -5.232162 18.08696 
1 1 1  -20    4   21 o  105.670   7.8775  4618.75  671.033  4484.50  943.334  4756.26  954.736  103.057   11.468  106.246   11.238 -3.188759 16.05597 
1 1 1  -20    4   22 o   77.123   9.0655  2501.86  556.859  2627.66  730.268  2327.10  860.756   78.133   11.886   72.236   15.159 5.897064 19.26266 
1 1 1  -20    4   23 o   83.335   9.2801  2940.55  617.278  2738.57  793.824  3249.48  981.741   78.956   12.822   85.200   14.724 -6.244484 19.52431 
1 1 1  -20    4   24 o   30.786   12.134  270.756  446.401  389.277  552.219   47.253  758.328   34.852   13.566   34.123   14.796 0.7287750 20.07417 
1 1 1  -20    4   25 o   43.300   13.387  869.919  518.419  857.816  597.334  906.864  1043.59   43.182   14.467   46.565   18.489 -3.383858 23.47636 
1 1 1  -20    4   26 o   23.842   10.654 -79.8743  421.713 -246.5598  494.980  361.496  805.453   23.903   11.014   36.289   15.484 -12.38582 19.00169 
1 1 1  -20    6    1 o  369.148   18.432 55491.17  5524.66 55093.72  7893.16 55872.88  7735.34  366.259   26.726  368.969   25.986 -2.709991 37.27637 
1 1 1  -20    6    2 o  855.131   59.864 307447.09 41303.50 307447.09 41303.50   0.0000   0.0000  855.131   59.864  ?   ?  0.000000 59.86373 
1 1 1  -20    6    3 o  569.193   27.441 132344.59 12682.25 135875.91 17952.83 128826.90 17918.05  573.726   38.765  558.335   39.784 15.39087 55.54746 
1 1 1  -20    6    4 o  445.882   21.757 81006.45  7876.94 79167.01 11147.19 82840.92 11132.18  438.820   31.495  449.072   30.714 -10.25171 43.99197 
1 1 1  -20    6    5 o  937.893   45.098 362285.91 34344.17 353750.31 48575.03 370818.00 48564.96  917.373   65.646  940.125   64.002 -22.75208 91.68212 
1 1 1  -20    6    6 o  530.759   25.692 114869.50 11072.22 109758.00 15663.16 119974.80 15653.81  516.196   37.629  540.145   35.896 -23.94971 52.00504 
1 1 1  -20    6    7 o  163.246   7.8945 10823.53  1046.42  8306.11  1833.40 12039.84  1274.38  141.999   16.191  171.918   9.1624 -29.91916 18.60349 
1 1 1  -20    6    8 o  582.879   28.148 138688.20 13322.03   0.0000   0.0000 138688.20 13322.03  ?   ?   582.879   28.148 0.000000 28.14840 
1 1 1  -20    6    9 o  332.616   12.097 44971.63  3267.12 49807.46  4606.21 40075.73  4634.73  349.868   16.214  313.205   18.304 36.66278 24.45309 
1 1 1  -20    6   10 o  445.108   15.087 80665.02  5452.67 80557.88  7696.16 80773.02  7726.42  444.176   21.339  444.762   21.395 -0.5861206 30.21778 
1 1 1  -20    6   11 o   68.171   7.1907  1909.51  392.015  3470.71  778.784  1379.68  453.684   91.750   10.652   57.400   10.103 34.35018 14.68126 
1 1 1  -20    6   12 o  162.317   7.7272 10711.57  1018.41 10526.01  1235.20 11105.47  1799.69  160.566   9.5167  164.474   13.598 -3.908691 16.59740 
1 1 1  -20    6   13 o  642.404   21.774 169733.20 11357.78 167542.41 16045.41 171933.30 16079.29  633.967   31.171  642.404   30.826 -8.437988 43.83908 
1 1 1  -20    6   14 o  569.414   19.681 133285.41  9099.54 132016.00 12849.88 134562.30 12887.59  563.079   28.105  568.580   27.915 -5.500061 39.61290 
1 1 1  -20    6   15 o  216.081   8.6510 19010.63  1517.81 19973.37  2128.72 18015.01  2164.75  220.883   11.913  209.606   12.780 11.27615 17.47179 
1 1 1  -20    6   16 f   77.347   6.7483  2452.38  419.567  2243.93  562.342  2714.12  630.146   73.564   9.6470   81.003   9.7786 -7.439003 13.73626 
1 1 1  -20    6   17 o  310.347   11.370 39395.46  2865.03 41046.75  4030.03 37708.07  4073.87  315.715   15.721  301.898   16.684 13.81738 22.92368 
1 1 1  -20    6   18 o  209.579   8.5711 17938.16  1458.55 16644.76  2015.80 19359.35  2113.03  200.861   12.421  216.775   12.052 -15.91360 17.30718 
1 1 1  -20    6   19 f  240.047   9.4900 23654.79  1849.69 23370.33  2590.55 23950.64  2641.91  236.897   13.524  239.784   13.626 -2.886719 19.19769 
1 1 1  -20    6   20 o   51.192   10.119  1119.12  405.677  915.856  501.876  1502.28  689.056   46.151   12.895   58.636   14.543 -12.48550 19.43687 
1 1 1  -20    6   21 o  117.346   7.9897  5696.70  756.738  5357.40  1028.73  6096.79  1117.10  112.695   11.399  120.216   11.588 -7.520767 16.25483 
1 1 1  -20    6   22 o  118.069   8.4413  5805.47  803.915  6319.24  1041.61  5048.54  1264.28  122.349   10.589  107.242   14.924 15.10764 18.29891 
1 1 1  -20    6   23 o   47.766   11.976  1013.47  463.626  944.693  557.309  1168.04  835.474   46.122   13.805   51.279   17.109 -5.156708 21.98401 
1 1 1  -20    6   24 o  106.116   8.5861  4771.65  733.463  4958.65  967.495  4518.93  1124.71  106.564   11.356   99.711   14.301 6.853409 18.26188 
1 1 1  -20    6   25 o  103.177   9.6778  4644.21  801.299  4477.29  998.512  4946.17  1342.97   98.889   12.731   99.656   17.220 -0.7669907 21.41489 
1 1 1  -20    6   26 o   33.739   12.205  497.152  429.619  674.833  468.236 -448.7172  1080.34   37.797   12.808   33.177   15.610 4.619446 20.19216 
1 1 1  -20    8    1 o  462.151   18.273 86924.25  6856.96 91216.60 11901.75 84791.65  8389.17  471.297   31.279  456.147   22.650 15.15045 38.61880 
1 1 1  -20    8    2 o  119.491   8.5268  5829.21  821.865  5223.58  1211.04  6346.27  1119.00  112.550   13.522  124.469   11.192 -11.91908 17.55316 
1 1 1  -20    8    3 o  409.795   20.463 68380.35  6808.70 62885.81  9677.39 73766.25  9581.24  391.078   30.723  424.174   27.976 -33.09613 41.55198 
1 1 1  -20    8    4 o  1037.07   72.737 454323.09 60861.79 454323.09 60861.79   0.0000   0.0000  1037.07   72.737  ?   ?  0.000000 72.73692 
1 1 1  -20    8    5 o  621.173   29.958 157564.09 15109.97 156128.50 21399.34 158991.59 21338.24  614.978   43.128  620.740   42.594 -5.762268 60.61559 
1 1 1  -20    8    6 f  1090.93   52.620 491667.19 46610.73 481907.00 65944.55 501411.31 65890.54  1067.35   76.601  1089.77   74.920 -22.42004 107.1479 
1 1 1  -20    8    7 o   81.585   5.5219  2715.23  363.642  4342.20  659.599  2004.80  435.863  103.092   7.9410   69.821   7.8226 33.27052 11.14687 
1 1 1  -20    8    8 o  447.570   21.928 81632.83  7968.85   0.0000   0.0000 81632.83  7968.85  ?   ?   447.570   21.928 0.000000 21.92784 
1 1 1  -20    8    9 o  207.503   9.3612 17497.19  1577.22 18630.29  2794.28 16967.38  1910.70  213.300   16.256  203.959   11.585 9.341354 19.96214 
1 1 1  -20    8   10 o  459.479   18.205 86160.27  6792.02 102382.70 11814.06 78151.22  8301.01  497.974   29.348  436.226   23.523 61.74725 37.61152 
1 1 1  -20    8   11 o  314.318   11.428 40222.05  2916.66 42282.13  4112.67 38137.52  4137.01  321.863   15.737  305.121   16.763 16.74216 22.99204 
1 1 1  -20    8   12 o  355.519   12.112 51504.16  3496.36 49683.43  4929.72 53347.04  4959.63  348.491   17.422  361.191   16.911 -12.69962 24.27975 
1 1 1  -20    8   13 o  279.893   10.665 31910.68  2423.71 32935.80  3410.81 30865.07  3444.72  283.528   14.868  274.330   15.528 9.197540 21.49830 
1 1 1  -20    8   14 o  249.073   9.3609 25262.37  1893.15 25420.82  2654.69 25098.41  2700.53  249.144   13.170  247.501   13.489 1.642334 18.85167 
1 1 1  -20    8   15 o  332.179   11.735 45051.49  3165.26 44890.76  4459.02 45214.73  4493.90  330.229   16.684  331.402   16.755 -1.172943 23.64479 
1 1 1  -20    8   16 o  208.648   8.7370 17741.03  1480.18 19301.59  2073.43 16119.19  2113.74  216.978   11.813  197.971   13.226 19.00684 17.73346 
1 1 1  -20    8   17 o  315.799   11.359 40819.63  2912.74 41246.64  4099.66 40384.35  4139.11  315.789   16.041  312.341   16.378 3.448364 22.92502 
1 1 1  -20    8   18 o  129.166   7.0787  6824.73  739.579  5939.37  979.443  7999.20  1128.08  119.969   10.150  139.373   10.035 -19.40404 14.27353 
1 1 1  -20    8   19 o   60.273   8.4217  1517.23  400.898  1396.58  472.645  1826.62  756.875   57.347   10.539   64.888   14.705 -7.540997 18.09178 
1 1 1  -20    8   20 o   52.737   9.6833  1183.36  399.369  1176.18  471.531  1201.60  751.186   52.219   11.438   52.844   16.074 -0.6257133 19.72833 
1 1 1  -20    8   21 o   37.467   11.777  585.692  399.367  601.427  446.048  522.098  896.701   38.295   12.488   43.359   17.163 -5.064140 21.22566 
1 1 1  -20    8   22 o   71.918   9.6115  2194.80  547.221  1989.05  633.623  2798.69  1085.51   67.618   11.979   78.055   17.553 -10.43623 21.25138 
1 1 1  -20    8   23 f   60.295   10.681  1583.96  503.764  1924.87  575.264  462.594  1043.33   66.466   11.047   43.630   18.053 22.83645 21.16515 
1 1 1  -20    8   24 o  112.524   8.9370  5394.98  809.814  4966.31  971.163  6373.28  1467.12  106.374   11.423  116.837   15.876 -10.46372 19.55833 
1 1 1  -20    8   25 o   50.632   12.627  1209.66  517.360  1157.37  599.236  1362.75  1025.33   48.847   14.236   51.504   18.821 -2.656818 23.59845 
1 1 1  -20    8   26 o   51.307   19.178  1586.04  1075.20   0.0000   0.0000  1586.04  1075.20  ?   ?    51.307   19.178 0.000000 19.17767 
1 1 1  -20   10    1 o  1230.36   59.587 628505.12 59527.68 608214.62 84173.76 648806.38 84195.95  1192.40   87.552  1233.80   84.554 -41.40479 121.7156 
1 1 1  -20   10    2 o  502.389   24.679 102865.10 10067.29 101863.70 14307.68 103847.00 14167.96  497.653   35.644  502.626   34.933 -4.972839 49.90792 
1 1 1  -20   10    3 o  1257.32   89.316 676878.00 90589.42 676878.00 90589.42   0.0000   0.0000  1257.32   89.316  ?   ?  0.000000 89.31572 
1 1 1  -20   10    4 o  480.964   23.863 94245.98  9319.32 87298.91 13243.76 101059.80 13116.18  460.549   35.695  496.221   32.737 -35.67172 48.43376 
1 1 1  -20   10    5 o  1050.32   51.482 455310.81 43905.01 411151.19 62147.06 499311.59 62035.21  984.814   78.368  1090.11   70.463 -105.2919 105.3875 
1 1 1  -20   10    6 o  116.940   8.4744  5583.61  799.192  4626.53  1168.21  6425.60  1095.73  105.771   13.942  125.285   10.879 -19.51399 17.68447 
1 1 1  -20   10    7 o  483.143   33.762 96060.93 13161.29   0.0000   0.0000 96060.93 13161.29  ?   ?   483.143   33.762 0.000000 33.76162 
1 1 1  -20   10    8 o  332.534   13.396 44975.39  3617.06 52563.57  6364.99 41356.11  4395.83  358.274   21.986  318.238   17.074 40.03610 27.83733 
1 1 1  -20   10    9 o  373.411   14.840 56789.98  4499.54 64360.11  7884.69 53134.12  5479.35  395.664   24.665  360.363   18.791 35.30072 31.00795 
1 1 1  -20   10   10 o  224.429   9.8581 20488.05  1796.42 24045.31  3215.91 18874.57  2165.84  242.167   16.453  214.929   12.464 27.23863 20.64075 
1 1 1  -20   10   11 o  147.563   9.8605  8900.08  1174.65  7380.63  1765.98 10105.76  1573.10  133.373   16.671  156.995   12.442 -23.62199 20.80258 
1 1 1  -20   10   12 o  309.228   12.873 38996.44  3232.20 41018.24  5685.72 38031.10  3928.77  314.952   22.379  304.603   15.940 10.34900 27.47558 
1 1 1  -20   10   13 o  639.924   25.436 169662.41 13216.58 179263.50 22987.00 164921.09 16153.59  643.563   44.259  626.625   31.853 16.93823 54.52973 
1 1 1  -20   10   14 o  346.559   11.847 49016.20  3333.79 49072.05  4707.49 48959.99  4721.93  345.852   16.763  345.442   16.835 0.4104614 23.75747 
1 1 1  -20   10   15 o  296.567   11.458 35916.24  2759.14 39521.00  3892.66 32276.63  3911.43  310.356   15.447  279.582   17.315 30.77350 23.20419 
1 1 1  -20   10   16 o  253.841   9.6707 26292.18  1993.22 24703.50  2796.22 27933.34  2842.03  244.961   14.118  260.688   13.473 -15.72685 19.51509 
1 1 1  -20   10   17 o   85.721   6.7454  3011.37  465.702  3335.59  610.826  2561.30  719.687   90.019   8.4560   78.208   11.692 11.81134 14.42952 
1 1 1  -20   10   18 o  229.513   9.2717 21585.07  1727.85 21257.43  2437.84 21915.80  2449.30  226.284   13.327  229.829   13.180 -3.544464 18.74368 
1 1 1  -20   10   19 o  261.375   9.7282 28144.54  2064.60 28380.77  2905.06 27903.47  2934.72  260.233   13.798  257.870   14.069 2.363159 19.70593 
1 1 1  -20   10   20 o  167.346   7.8466 11512.42  1066.19 10728.23  1486.08 12344.24  1530.54  160.025   11.514  171.925   11.022 -11.89949 15.93915 
1 1 1  -20   10   21 o   91.432   7.9494  3474.83  584.288  2904.02  722.089  4557.33  994.390   82.606   11.042  103.371   12.075 -20.76550 16.36239 
1 1 1  -20   10   22 o  108.280   8.4645  4902.42  738.280  4467.06  889.044  5869.62  1325.13  102.373   10.861  115.542   14.440 -13.16962 18.06883 
1 1 1  -20   10   23 o   29.863   11.182  303.501  365.872   85.209  400.886  1391.92  895.160   26.512   11.099   54.675   17.682 -28.16241 20.87635 
1 1 1  -20   10   24 o   21.994   9.6282 -41.5358  327.669   0.6637  344.614 -439.2495  1057.95   23.227   10.023   34.865   16.078 -11.63838 18.94630 
1 1 1  -20   10   25 o   36.839   11.824  620.157  400.863  484.832  433.084  1429.43  1059.08   33.949   12.258   51.681   19.089 -17.73251 22.68621 
1 1 1  -20   12    1 o  606.356   24.399 149793.70 12012.47 142016.20 20849.75 153658.20 14696.90  586.472   44.107  613.630   29.497 -27.15802 53.06138 
1 1 1  -20   12    2 o  868.373   42.350 309446.31 29860.35 287506.91 42295.07 331248.81 42163.04  829.351   63.285  892.334   58.516 -62.98291 86.19292 
1 1 1  -20   12    3 o  341.734   18.116 47640.67  5008.74 39169.86  7154.91 55781.24  7014.05  308.486   28.902  369.300   23.514 -60.81412 37.25842 
1 1 1  -20   12    4 o  801.774   39.809 263675.81 25916.07 227845.80 36731.82 299191.69 36570.45  737.599   61.904  849.058   53.317 -111.4596 81.69946 
1 1 1  -20   12    5 o  735.432   36.543 221673.20 21821.63 191883.41 30937.99 251166.30 30783.50  677.529   56.760  778.462   48.951 -100.9327 74.95286 
1 1 1  -20   12    6 o  251.256   13.130 25736.57  2669.40 31256.39  3855.98 20656.77  3699.10  276.589   17.256  224.239   20.545 52.35001 26.82998 
1 1 1  -20   12    7 o  140.833   12.951  8134.99  1464.39   0.0000   0.0000  8134.99  1464.39  ?   ?   140.833   12.951 0.000000 12.95106 
1 1 1  -20   12    8 o  609.067   24.986 151987.80 12356.50 149413.70 21546.04 153249.41 15083.43  596.369   44.823  610.246   30.441 -13.87708 54.18269 
1 1 1  -20   12    9 o  622.527   25.244 159278.91 12759.99 159514.20 22241.77 159163.41 15578.66  613.461   44.966  620.408   30.925 -6.946838 54.57359 
1 1 1  -20   12   10 o   86.123   6.8964  3033.90  478.218  1982.46  1027.22  3324.84  540.344   68.420   18.180   90.131   7.4502 -21.71165 19.64775 
1 1 1  -20   12   11 o  267.122   14.954 29227.76  3230.33 24163.25  4704.73 33744.90  4443.22  240.921   24.386  286.295   19.225 -45.37396 31.05326 
1 1 1  -20   12   12 o  310.923   12.958 39445.55  3271.40 40718.93  5807.02 38853.54  3959.50  313.421   22.979  307.790   15.898 5.630829 27.94194 
1 1 1  -20   12   13 o  246.480   11.074 24770.39  2216.37 22573.44  3977.40 25759.83  2669.20  233.044   21.253  250.796   13.153 -17.75247 24.99428 
1 1 1  -20   12   14 o  475.648   19.381 93274.98  7485.34 90780.66 13113.94 94480.34  9116.29  459.980   35.383  476.985   23.538 -17.00461 42.49754 
1 1 1  -20   12   15 o  178.204   9.3233 12982.79  1344.36 12045.06  2488.39 13369.31  1597.58  169.914   18.327  180.611   10.945 -10.69763 21.34637 
1 1 1  -20   12   16 o  232.818   10.947 22169.59  2069.40 21714.74  3799.01 22361.49  2467.62  227.366   20.809  233.099   13.091 -5.732910 24.58408 
1 1 1  -20   12   17 o  164.464   9.8145 11112.42  1304.65 10026.46  2386.77 11575.16  1558.02  153.474   19.601  167.497   11.526 -14.02271 22.73836 
1 1 1  -20   12   18 o  114.071   9.8892  5388.25  906.890  7777.69  2018.04  4783.58  1015.17  134.142   19.064  106.949   11.892 27.19353 22.46903 
1 1 1  -20   12   19 f  119.831   7.2277  5904.06  699.958  5752.25  920.216  6112.48  1078.24  117.677   9.7177  120.921   11.106 -3.244148 14.75722 
1 1 1  -20   12   20 o  189.562   9.0108 14856.67  1386.93 16254.46  1959.85 13454.39  1962.99  196.382   12.354  177.846   13.699 18.53537 18.44672 
1 1 1  -20   12   21 o   32.590   10.317  439.864  305.989  701.864  324.292 -1686.5699  923.871   40.231   9.9765   26.213   12.843 14.01781 16.26235 
1 1 1  -20   12   22 o   75.937   8.4324  2429.83  511.147  2217.51  599.860  2992.65  976.659   71.744   10.618   81.328   15.353 -9.584137 18.66681 
1 1 1  -20   12   23 o  126.195   8.7200  6734.79  888.026  6778.75  1113.49  6657.98  1471.96  125.101   11.076  120.617   15.380 4.483437 18.95306 
1 1 1  -20   12   24 o   63.003   10.013  1753.65  495.066  1943.87  522.976  112.914  1535.95   66.394   10.012   44.263   20.009 22.13158 22.37371 
1 1 1  -20   12   25 o   76.237   9.7149  2602.15  587.703  2845.17  645.032  1414.44  1425.98   79.354   10.251   50.589   21.034 28.76489 23.39842 
1 1 1  -20   14    1 o  482.155   19.807 94637.38  7754.20 96987.52 13495.21 93479.03  9474.34  485.583   34.451  478.235   24.481 7.347992 42.26361 
1 1 1  -20   14    2 o  670.933   26.605 183684.80 14493.60 168305.20 25123.05 191356.80 17744.12  636.609   48.979  684.036   31.948 -47.42676 58.47696 
1 1 1  -20   14    3 o  720.763   35.579 212968.41 20822.19 196460.20 29544.05 229261.41 29350.94  686.176   53.449  743.119   48.917 -56.94287 72.45430 
1 1 1  -20   14    4 o  127.305   9.8653  6624.63  1011.79  4352.88  1491.65  8560.53  1376.98  101.796   18.737  144.641   11.828 -42.84454 22.15811 
1 1 1  -20   14    5 o  389.899   19.450 61961.50  6157.64 65837.85  8807.69 58255.45  8612.04  400.247   27.264  376.181   28.404 24.06570 39.37173 
1 1 1  -20   14    6 o  366.869   26.510 55422.32  7843.85   0.0000   0.0000 55422.32  7843.85  ?   ?   366.869   26.510 0.000000 26.51024 
1 1 1  -20   14    7 o  694.711   33.493 199543.00 18893.08 210499.30 26824.96 188758.30 26613.99  705.952   47.068  666.980   49.496 38.97192 68.30213 
1 1 1  -20   14    8 o  112.938   9.1157  5220.71  828.806  5398.39  1274.18  5090.39  1091.20  114.238   14.032  111.132   12.299 3.106026 18.65893 
1 1 1  -20   14    9 o  147.535   8.6608  8882.59  1032.96  5273.37  2012.87 10172.87  1203.52  111.290   23.034  157.852   9.4331 -46.56261 24.89095 
1 1 1  -20   14   10 o  499.211   27.139 103387.30 10959.38 84714.13 15691.39 121171.60 15313.33  443.916   44.118  536.675   35.339 -92.75940 56.52645 
1 1 1  -20   14   11 o  622.773   26.090 160598.70 13192.74 149733.91 23049.97 165891.80 16088.58  585.501   48.933  630.172   31.443 -44.67035 58.16444 
1 1 1  -20   14   12 o  352.117   14.954 50716.39  4275.39 48322.73  7615.65 51817.98  5166.34  339.527   27.870  354.887   17.988 -15.35944 33.17094 
1 1 1  -20   14   13 o  281.405   12.294 32340.45  2809.18 30427.38  5089.87 33178.46  3368.73  269.907   23.458  284.309   14.642 -14.40216 27.65305 
1 1 1  -20   14   14 o   72.989   8.5190  2199.31  495.374  3791.19  1092.17  1787.00  555.837   95.097   14.612   65.309   10.863 29.78848 18.20781 
1 1 1  -20   14   15 o  250.058   11.337 25569.73  2301.92 26211.37  4247.53 25302.91  2739.03  250.146   21.110  247.985   13.656 2.161728 25.14139 
1 1 1  -20   14   16 o  138.723   8.8238  7889.94  988.735 10424.39  2046.78  7118.48  1129.23  157.906   16.193  131.428   10.674 26.47701 19.39432 
1 1 1  -20   14   17 o  163.271   10.126 10986.31  1335.83  7835.05  2521.16 12216.30  1575.10  132.934   24.251  171.881   11.350 -38.94759 26.77570 
1 1 1  -20   14   18 o  133.885   10.078  7431.52  1087.58  7237.49  2489.19  7477.30  1209.09  125.701   25.265  133.970   11.218 -8.268143 27.64324 
1 1 1  -20   14   19 o  210.366   11.390 18481.74  1938.29 18025.26  3917.01 18629.76  2230.53  197.796   24.944  210.253   13.131 -12.45706 28.18921 
1 1 1  -20   14   20 o   50.341   15.825  1095.64  721.048  1274.19  1826.11  1062.66  784.820   61.284   24.418   50.113   16.576 11.17123 29.51311 
1 1 1  -20   14   21 o  256.470   13.397 28313.34  2780.16 26246.91  5362.34 29072.99  3251.27  222.825   30.434  257.279   15.638 -34.45412 34.21650 
1 1 1  -20   14   22 o   65.003   17.998  2014.51  982.404  2030.95  2801.05  2012.20  1049.04   68.366   29.015   64.677   18.832 3.688591 34.59092 
1 1 1  -20   14   23 f   97.567   19.006  4723.53  1451.53  3608.84  3364.62  4978.43  1608.95   73.298   31.471   98.485   20.774 -25.18740 37.70911 
1 1 1  -20   14   24 o   43.762   19.801  220.589  1508.34   0.0000   0.0000  220.589  1508.34  ?   ?    43.762   19.801 0.000000 19.80091 
1 1 1  -20   14   25 o   78.050   24.435  4454.45  1721.14   0.0000   0.0000  4454.45  1721.14  ?   ?    78.050   24.435 0.000000 24.43523 
1 1 1  -20   16    1 o  731.867   29.434 219530.30 17491.43 197423.00 30401.45 230469.59 21385.55  683.959   55.213  748.363   35.194 -64.40399 65.47622 
1 1 1  -20   16    2 o  508.954   21.324 105715.40  8812.41 89197.23 15319.42 113884.60 10773.35  462.490   41.227  527.716   25.143 -65.22549 48.28873 
1 1 1  -20   16    3 o  294.455   16.239 35424.46  3867.56 33037.34  5560.72 37661.20  5382.73  283.169   24.424  302.855   22.040 -19.68628 32.89843 
1 1 1  -20   16    4 o  495.818   25.275 100970.50 10141.81 94406.97 14466.23 107314.50 14222.27  476.001   37.738  508.669   34.641 -32.66818 51.22672 
1 1 1  -20   16    5 o  460.477   33.024 88059.89 12265.51   0.0000   0.0000 88059.89 12265.51  ?   ?   460.477   33.024 0.000000 33.02427 
1 1 1  -20   16    6 o  463.500   22.996 88105.95  8654.62 91963.16 12364.06 84400.38 12118.59  470.101   32.593  449.985   33.406 20.11566 46.67181 
1 1 1  -20   16    7 o  200.261   12.260 16395.63  1983.93 15910.20  2953.66 16794.68  2677.97  196.339   18.756  202.139   16.459 -5.799210 24.95336 
1 1 1  -20   16    8 o  625.154   29.960 162044.30 15207.76 179145.41 21649.26 145385.41 21367.54  650.149   41.223  582.756   45.519 67.39392 61.41116 
1 1 1  -20   16    9 o  494.498   20.033 100319.80  8043.75 103251.20 14204.29 98936.03  9759.39  495.002   35.578  489.179   24.650 5.822693 43.28285 
1 1 1  -20   16   10 o  401.154   15.882 65817.90  5173.07 71556.09  9233.06 63192.50  6245.36  414.348   27.602  392.315   19.606 22.03235 33.85611 
1 1 1  -20   16   11 o  164.403   8.2856 11026.08  1102.48 13033.85  2197.38 10350.64  1274.51  177.827   15.370  159.105   9.9148 18.72174 18.29006 
1 1 1  -20   16   12 o  277.591   12.575 31474.74  2834.37 29403.78  5207.08 32346.71  3378.78  265.025   24.474  280.686   14.878 -15.66110 28.64149 
1 1 1  -20   16   13 o  108.973   8.1242  4861.95  713.679  4553.34  1634.61  4934.64  793.283  103.256   20.220  109.687   8.9860 -6.430771 22.12700 
1 1 1  -20   16   14 o  333.896   14.139 45747.06  3833.19 47812.71  6964.30 44849.31  4591.21  336.397   25.691  329.331   17.229 7.066010 30.93357 
1 1 1  -20   16   15 o  260.321   11.644 27771.95  2461.27 29197.80  4590.02 27196.52  2915.93  263.103   21.679  256.699   14.043 6.404327 25.82973 
1 1 1  -20   16   16 o  297.548   13.820 36627.19  3338.80 29914.98  6149.44 39432.99  3975.86  259.011   29.782  307.386   15.985 -48.37534 33.80080 
1 1 1  -20   16   17 o  248.176   12.125 25518.68  2443.27 24780.66  4795.24 25777.46  2839.50  235.615   25.470  248.162   14.151 -12.54669 29.13721 
1 1 1  -20   16   18 o  213.017   11.495 18914.86  1980.83 21752.81  4089.33 18044.86  2264.19  220.070   23.237  207.004   13.546 13.06549 26.89642 
1 1 1  -20   16   19 o   42.104   14.520  699.925  602.327  2036.83  2265.37  598.224  624.817   71.348   27.559   40.528   14.710 30.82017 31.23932 
1 1 1  -20   16   20 o  138.453   10.850  8090.59  1209.97  9949.55  2865.50  7687.22  1334.81  142.420   25.726  134.167   12.393 8.253189 28.55555 
1 1 1  -20   16   21 o  110.752   12.999  5346.57  1146.75  4552.97  3214.17  5462.33  1227.53   87.507   33.064  111.447   13.865 -23.93990 35.85383 
1 1 1  -20   16   22 o   36.527   16.001   12.800  906.292  3701.71  3089.31 -334.5709  948.003   77.075   31.386   34.264   15.580 42.81187 35.04018 
1 1 1  -20   16   23 o  105.605   22.303  6080.76  1852.42   0.0000   0.0000  6080.76  1852.42  ?   ?   105.605   22.303 0.000000 22.30264 
1 1 1  -20   16   24 o   64.066   24.506  2898.67  1779.32   0.0000   0.0000  2898.67  1779.32  ?   ?    64.066   24.506 0.000000 24.50644 
1 1 1  -20   18    1 f  131.004   15.705  7096.94  1637.30   0.0000   0.0000  7096.94  1637.30  ?   ?   131.004   15.705 0.000000 15.70539 
1 1 1  -20   18    2 o   92.731   12.076  3559.02  887.697   0.0000   0.0000  3559.02  887.697  ?   ?    92.731   12.076 0.000000 12.07617 
1 1 1  -20   18    3 o  663.131   31.697 181975.91 17067.11   0.0000   0.0000 181975.91 17067.11  ?   ?   663.131   31.697 0.000000 31.69728 
1 1 1  -20   18    4 o  464.892   23.724 88976.30  8925.36 89706.55 12776.96 88280.35 12473.24  463.378   34.201  459.873   33.638 3.504639 47.97063 
1 1 1  -20   18    5 o  523.326   26.104 112831.80 11092.12 115868.30 15853.42 109919.90 15524.98  525.093   37.428  511.262   37.663 13.83127 53.09803 
1 1 1  -20   18    6 o  151.183   11.172  9356.51  1361.69  9434.37  2101.13  9300.14  1787.98  150.922   17.469  150.248   14.850 0.6739197 22.92816 
1 1 1  -20   18    7 o  379.272   19.553 59111.10  6001.08 62043.21  8647.18 56386.85  8335.04  386.274   27.755  368.044   28.104 18.23010 39.49909 
1 1 1  -20   18    8 o  108.372   10.555  4827.61  916.962  5501.25  1455.94  4384.74  1180.51  114.915   16.041  102.620   14.577 12.29512 21.67528 
1 1 1  -20   18    9 o  363.774   19.027 54460.62  5600.52 55756.75  8105.11 53276.30  7747.63  365.432   27.518  357.389   26.896 8.043152 38.47878 
1 1 1  -20   18   10 o  569.825   22.667 134147.30 10487.33 134087.30 18521.66 134175.59 12723.42  557.422   41.214  567.511   27.612 -10.08978 49.60865 
1 1 1  -20   18   11 o  346.959   16.542 49394.63  4660.34 34719.09  8444.99 55820.84  5588.31  282.620   37.744  367.822   18.774 -85.20181 42.15526 
1 1 1  -20   18   12 o  552.926   22.510 126940.50 10105.84 125480.00 17885.44 127625.50 12248.47  534.404   41.545  551.503   27.352 -17.09955 49.74073 
1 1 1  -20   18   13 o  356.808   15.319 52330.04  4438.13 50928.55  8098.29 52931.66  5305.88  345.422   29.146  357.459   18.342 -12.03705 34.43747 
1 1 1  -20   18   14 o  338.135   14.641 47091.43  4019.79 43668.12  7366.42 48543.10  4796.97  318.056   28.838  341.916   17.335 -23.85977 33.64716 
1 1 1  -20   18   15 o  160.249   9.5284 10551.07  1234.22  7918.97  2547.35 11358.50  1410.88  134.232   24.265  166.078   10.517 -31.84651 26.44614 
1 1 1  -20   18   16 o   89.920   10.168  3367.67  729.342  842.531  2232.71  3669.31  771.675   64.080   26.454   93.881   10.292 -29.80111 28.38552 
1 1 1  -20   18   17 o  164.517   9.9957 11213.99  1328.92 13750.11  3021.01 10605.50  1479.78  176.198   21.566  159.452   11.507 16.74568 24.44408 
1 1 1  -20   18   18 o  163.305   10.495 11123.80  1384.28  9467.34  3189.21 11508.33  1536.58  138.901   29.204  165.680   11.493 -26.77919 31.38423 
1 1 1  -20   18   19 o  195.174   11.784 16087.72  1858.78 12921.59  4012.06 16953.06  2097.47  156.241   32.676  199.531   13.018 -43.29016 35.17348 
1 1 1  -20   18   20 o   73.260   14.763  2405.92  847.849 -3309.9580  3040.18  2887.96  882.877   49.752   24.133   80.809   13.960 -31.05618 27.88019 
1 1 1  -20   18   21 o  144.906   12.191  9119.38  1421.04  8589.85  3606.51  9216.70  1546.12  113.223   35.359  144.802   13.299 -31.57860 37.77728 
1 1 1  -20   18   22 o  105.646   21.647  5828.48  1794.51  6958.28  4079.94  5557.49  1998.16   88.353   36.034   99.245   24.851 -10.89252 43.77246 
1 1 1  -20   18   23 o  131.046   25.587 10542.89  2624.88   0.0000   0.0000 10542.89  2624.88  ?   ?   131.046   25.587 0.000000 25.58673 
1 1 1  -20   18   24 o   38.814   17.981   49.408  1345.85   0.0000   0.0000   49.408  1345.85  ?   ?    38.814   17.981 0.000000 17.98115 
1 1 1  -20   20    1 o  474.429   35.723 94408.34 13660.36   0.0000   0.0000 94408.34 13660.36  ?   ?   474.429   35.723 0.000000 35.72329 
1 1 1  -20   20    2 o  115.269   14.420  5502.69  1320.09  5982.53  1814.37  4962.97  1924.25  119.402   19.379  107.971   22.671 11.43082 29.82461 
1 1 1  -20   20    3 f  284.241   17.199 33142.60  3950.78 28960.70  5544.37 37456.43  5631.14  263.761   26.236  301.018   23.218 -37.25671 35.03497 
1 1 1  -20   20    6 f  287.925   22.607 34326.45  5242.69   0.0000   0.0000 34326.45  5242.69  ?   ?   287.925   22.607 0.000000 22.60695 
1 1 1  -20   20    8 o  128.425   15.025  6834.98  1537.16   0.0000   0.0000  6834.98  1537.16  ?   ?   128.425   15.025 0.000000 15.02509 
1 1 1  -20   20    9 o  162.971   16.270 10990.93  2124.20   0.0000   0.0000 10990.93  2124.20  ?   ?   162.971   16.270 0.000000 16.27007 
1 1 1  -20   20   10 o  556.518   21.864 128180.30  9879.83 136526.91 17570.49 124321.10 11947.52  561.922   38.746  545.367   26.981 16.55542 47.21474 
1 1 1  -20   20   11 o  230.399   9.8123 21646.83  1835.65 28313.79  3796.58 19612.75  2097.06  261.549   17.987  218.771   11.850 42.77803 21.53907 
1 1 1  -20   20   12 o  417.067   16.558 71677.50  5607.40 79259.80 10251.32 68440.29  6698.30  430.862   29.480  405.513   20.409 25.34857 35.85463 
1 1 1  -20   20   13 o  236.312   10.547 22846.46  2023.83 29675.70  4252.73 20847.03  2301.10  266.083   19.826  225.016   12.646 41.06743 23.51589 
1 1 1  -20   20   14 o  147.745   9.0652  8963.98  1082.24  9418.21  2613.74  8869.99  1188.95  147.345   22.565  146.777   10.036 0.5674438 24.69679 
1 1 1  -20   20   15 o  182.628   10.387 13771.33  1533.88 11588.70  3313.14 14366.78  1730.51  160.379   26.358  186.199   11.502 -25.81918 28.75853 
1 1 1  -20   20   16 f  114.589   9.9178  5455.66  913.681  3965.83  2640.64  5658.28  973.833   91.980   30.404  116.584   10.397 -24.60343 32.13279 
1 1 1  -20   20   17 o  193.528   11.038 15630.71  1727.38 16500.30  3981.46 15429.07  1917.21  187.083   26.991  191.600   12.390 -4.516846 29.69888 
1 1 1  -20   20   18 f  150.798   10.505  9530.98  1278.27 11786.51  3079.42  9061.42  1405.04  157.446   24.917  146.359   11.927 11.08688 27.62457 
1 1 1  -20   20   19 o   44.820   16.211  781.191  757.892  2964.98  2655.82  587.585  790.775   77.762   29.894   42.284   16.297 35.47874 34.04738 
1 1 1  -20   20   20 o  175.400   12.170 13275.02  1722.48 10839.80  4017.11 13823.62  1906.66  128.812   36.655  178.005   13.287 -49.19299 38.98950 
1 1 1  -20   20   21 o  115.304   13.693  5975.81  1256.88  7362.41  3838.20  5809.25  1330.22   95.901   36.157  112.703   14.902 -16.80174 39.10736 
1 1 1  -20   20   22 o   45.201   19.501  568.413  1303.86   0.0000   0.0000  568.413  1303.86  ?   ?    45.201   19.501 0.000000 19.50078 
1 1 1  -20   20   23 o   54.158   21.955  1805.58  1503.55   0.0000   0.0000  1805.58  1503.55  ?   ?    54.158   21.955 0.000000 21.95451 
1 1 1  -20   22    1 o  225.590   15.048 20874.21  2740.57   0.0000   0.0000 20874.21  2740.57  ?   ?   225.590   15.048 0.000000 15.04812 
1 1 1  -20   22    2 o  454.865   19.751 84876.84  7294.68 81315.53 12860.92 86565.98  8857.26  438.452   36.456  457.672   23.918 -19.22031 43.60135 
1 1 1  -20   22    3 o  158.159   11.161 10240.66  1424.14 11741.54  2612.90  9606.36  1698.62  168.086   19.508  152.803   13.841 15.28308 23.91905 
1 1 1  -20   22    4 o  640.005   25.548 169443.70 13276.41 177626.00 23111.87 165414.00 16219.50  641.880   44.622  628.363   31.894 13.51733 54.84887 
1 1 1  -20   22    5 o  210.281   13.822 18133.83  2346.81 21894.83  3580.64 15301.52  3107.27  230.124   19.342  191.908   20.247 38.21561 28.00087 
1 1 1  -20   22    6 o  334.617   28.201 46951.48  7590.67 46951.48  7590.67   0.0000   0.0000  334.617   28.201  ?   ?  0.000000 28.20074 
1 1 1  -20   22    7 o  511.944   39.715 112955.00 16379.42 112955.00 16379.42   0.0000   0.0000  511.944   39.715  ?   ?  0.000000 39.71455 
1 1 1  -20   22    8 o  325.097   27.643 44481.05  7227.57 44481.05  7227.57   0.0000   0.0000  325.097   27.643  ?   ?  0.000000 27.64276 
1 1 1  -20   22    9 o  149.784   22.749  9508.68  2679.71  9508.68  2679.71   0.0000   0.0000  149.784   22.749  ?   ?  0.000000 22.74887 
1 1 1  -20   22   10 o  208.994   23.222 18409.95  3874.08 18409.95  3874.08   0.0000   0.0000  208.994   23.222  ?   ?  0.000000 23.22220 
1 1 1  -20   22   11 o   23.087   9.3079   94.840  268.658   0.0000   0.0000   94.840  268.658  ?   ?    23.087   9.3079 0.000000 9.307855 
1 1 1  -20   22   12 o  201.801   15.710 16936.83  2553.84   0.0000   0.0000 16936.83  2553.84  ?   ?   201.801   15.710 0.000000 15.70971 
1 1 1  -20   22   13 o   86.400   12.517  3139.24  852.519   0.0000   0.0000  3139.24  852.519  ?   ?    86.400   12.517 0.000000 12.51669 
1 1 1  -20   22   14 o  198.805   16.224 16702.70  2596.12   0.0000   0.0000 16702.70  2596.12  ?   ?   198.805   16.224 0.000000 16.22410 
1 1 1  -20   22   15 o  162.677   14.958 11223.25  1953.68   0.0000   0.0000 11223.25  1953.68  ?   ?   162.677   14.958 0.000000 14.95831 
1 1 1  -20   22   16 o  182.977   11.795 14027.03  1743.07   0.0000   0.0000 14027.03  1743.07  ?   ?   182.977   11.795 0.000000 11.79508 
1 1 1  -20   22   17 o   76.763   12.696  2544.55  763.656   0.0000   0.0000  2544.55  763.656  ?   ?    76.763   12.696 0.000000 12.69583 
1 1 1  -20   22   18 o  117.128   11.579  5844.14  1086.76   0.0000   0.0000  5844.14  1086.76  ?   ?   117.128   11.579 0.000000 11.57874 
1 1 1  -20   22   19 o   63.697   14.932  1847.84  758.823   0.0000   0.0000  1847.84  758.823  ?   ?    63.697   14.932 0.000000 14.93153 
1 1 1  -20   22   20 o   49.739   17.440  1107.20  870.678   0.0000   0.0000  1107.20  870.678  ?   ?    49.739   17.440 0.000000 17.44038 
1 1 1  -20   22   21 o  112.431   23.390  7012.11  2065.74   0.0000   0.0000  7012.11  2065.74  ?   ?   112.431   23.390 0.000000 23.38987 
1 1 1  -20   22   22 o   46.432   19.219  964.515  1182.91   0.0000   0.0000  964.515  1182.91  ?   ?    46.432   19.219 0.000000 19.21888 
1 1 1  -20   24    1 o  205.938   15.323 17441.78  2543.84   0.0000   0.0000 17441.78  2543.84  ?   ?   205.938   15.323 0.000000 15.32267 
1 1 1  -20   24    2 o  349.843   20.016 50501.50  5662.13   0.0000   0.0000 50501.50  5662.13  ?   ?   349.843   20.016 0.000000 20.01591 
1 1 1  -20   24    3 o  202.424   12.722 16792.04  2080.37 20799.76  3877.45 15171.99  2465.25  223.579   21.629  191.837   15.972 31.74179 26.88705 
1 1 1  -20   24    4 o  439.045   24.799 80209.01  8804.42 83870.73 12371.46 76451.18 12532.77  443.977   34.591  422.440   36.909 21.53720 50.58438 
1 1 1  -20   24    5 o  592.053   24.269 145471.91 11666.91 159088.80 20351.66 138806.50 14238.89  605.317   41.661  573.893   30.668 31.42395 51.73164 
1 1 1  -20   24    6 o  384.517   20.570 61217.04  6398.89 69251.31  9426.46 54350.96  8714.23  405.336   28.829  358.194   30.245 47.14288 41.78387 
1 1 1  -20   24    7 o  193.753   14.666 15469.68  2290.09 15715.89  3705.09 15317.47  2913.22  192.903   24.187  191.846   18.949 1.056976 30.72579 
1 1 1  -20   24    8 o  172.767   14.326 12321.07  1991.50 11497.25  3327.91 12780.69  2485.72  163.822   25.878  175.236   17.713 -11.41339 31.35939 
1 1 1  -20   24    9 o  226.283   15.220 21151.71  2780.23 23033.54  4413.11 19913.33  3580.00  233.459   23.605  218.010   20.463 15.44896 31.24017 
1 1 1  -20   24   10 o  154.309   14.376  9885.37  1780.52  6958.48  3058.62 11385.63  2189.80  124.660   30.474  165.137   16.554 -40.47643 34.67981 
1 1 1  -20   24   11 o  101.941   8.3085  4272.29  681.739  7983.22  2402.80  3947.41  710.955  135.628   22.615   97.844   9.0514 37.78318 24.35932 
1 1 1  -20   24   12 o   38.231   11.225  612.237  371.345 -482.5476  2052.51  649.285  377.576   53.398   23.705   39.252   11.261 14.14635 26.24399 
1 1 1  -20   24   13 o  124.748   8.9852  6421.95  904.028  7084.29  2560.66  6327.65  966.248  124.317   26.194  123.658   9.7013 0.6592636 27.93308 
1 1 1  -20   24   14 o   45.304   12.080  883.835  452.505  3250.31  1874.07  737.325  466.302   83.996   25.354   41.845   12.651 42.15140 28.33464 
1 1 1  -20   24   15 o  137.439   10.056  7867.22  1114.42  6946.03  3295.59  7986.16  1184.18  115.878   33.275  138.278   10.628 -22.39984 34.93122 
1 1 1  -20   24   16 o   34.047   12.701  385.716  471.163 -1111.1010  2068.21  467.651  483.887   48.302   22.346   35.894   12.958 12.40823 25.83134 
1 1 1  -20   24   17 o  121.564   10.625  6244.80  1038.26  4217.97  3396.21  6453.76  1090.47   88.184   33.827  123.425   10.996 -35.24178 35.56977 
1 1 1  -20   24   18 o   30.172   13.017   4.8774  581.038 -1959.7321  3539.43   59.288  589.029   57.165   27.288   31.060   13.247 26.10508 30.33329 
1 1 1  -20   24   19 o   25.752   11.913 -400.8329  587.741 -4189.1611  3906.16 -313.0795  594.509   52.155   25.720   26.753   12.231 25.40193 28.48032 
1 1 1  -20   24   20 o   85.721   23.040  4097.47  1638.10  2215.24  4788.31  4346.96  1743.28   66.692   31.809   87.402   23.884 -20.70963 39.77790 
1 1 1  -20   24   21 o   31.354   15.275 -1499.0950  1254.78   0.0000   0.0000 -1499.0950  1254.78  ?   ?    31.354   15.275 0.000000 15.27547 
1 1 1  -20   26    1 o  280.833   27.239 33252.32  6133.21   0.0000   0.0000 33252.32  6133.21  ?   ?   280.833   27.239 0.000000 27.23937 
1 1 1  -20   26    2 o  130.179   16.144  7056.50  1669.79   0.0000   0.0000  7056.50  1669.79  ?   ?   130.179   16.144 0.000000 16.14373 
1 1 1  -20   26    3 o  628.351   26.573 165125.00 13557.46 171756.00 23920.38 161986.91 16455.76  619.438   47.932  616.745   32.980 2.693237 58.18209 
1 1 1  -20   26    4 o  259.542   14.644 27697.04  3073.42 29135.44  5687.14 27103.67  3652.76  262.338   27.089  256.001   17.681 6.336884 32.34863 
1 1 1  -20   26    5 o  305.213   15.744 38370.97  3888.45 43698.09  7130.25 36116.05  4638.99  321.152   27.612  294.956   19.480 26.19629 33.79176 
1 1 1  -20   26    6 o  192.746   14.294 15327.61  2221.17 15333.75  4128.12 15325.12  2635.13  188.751   27.765  192.080   17.074 -3.329483 32.59476 
1 1 1  -20   26    7 o  237.077   16.490 23299.77  3154.57 26255.41  5099.59 21467.73  4014.92  248.244   25.671  225.625   22.203 22.61891 33.94059 
1 1 1  -20   26    8 o  121.358   15.097  6164.83  1455.48  4122.29  2891.64  6857.90  1684.41   97.945   31.790  127.706   16.639 -29.76113 35.88113 
1 1 1  -20   26    9 o  252.142   17.084 26578.67  3476.93 27630.80  5611.45 25923.02  4429.73  251.214   27.986  246.486   22.377 4.728897 35.83218 
1 1 1  -20   26   10 o   69.962   18.260  2132.92  1048.35  1192.61  2346.39  2367.45  1171.81   68.412   27.533   73.570   19.356 -5.157532 33.65594 
1 1 1  -20   26   11 o  254.167   17.439 27377.06  3577.14 27116.12  5748.61 27541.94  4569.62  243.681   29.666  251.398   22.629 -7.717010 37.31116 
1 1 1  -20   26   12 o  107.976   9.1165  4826.83  791.796  2308.51  2901.46  5029.47  823.036   79.475   31.052  110.195   9.2850 -30.72010 32.41024 
1 1 1  -20   26   13 o   87.565   9.6950  3202.73  677.743  1511.67  2517.50  3334.87  703.724   70.204   28.426   89.330   9.8669 -19.12594 30.08997 
1 1 1  -20   26   14 o   28.351   11.335  175.763  394.832 -1658.0120  2620.70  218.352  399.391   52.957   24.721   29.285   11.498 23.67150 27.26413 
1 1 1  -20   26   15 o   29.227   11.778  177.838  429.914 -2199.3069  2326.85  261.855  437.446   46.786   22.276   30.946   12.066 15.83969 25.33391 
1 1 1  -20   26   16 o  109.159   10.241  5032.44  897.123  3129.26  3673.91  5153.12  925.128   81.373   33.791  110.386   10.446 -29.01286 35.36893 
1 1 1  -20   26   17 o   78.651   11.770  2689.78  728.529  1731.75  3681.52  2728.82  743.227   71.481   31.740   79.160   11.934 -7.679825 33.90916 
1 1 1  -20   26   18 f   27.747   12.485 -203.4601  590.032 -78.4949  3670.18 -206.7755  597.808   61.401   28.853   27.909   12.562 33.49197 31.46852 
1 1 1  -20   26   19 o   49.957   19.441  1092.37  1133.87 -814.8133  3495.43  1316.66  1198.69   55.013   26.485   52.913   20.144 2.100559 33.27534 
1 1 1  -20   26   20 o   25.902   12.971 -2633.6599  1157.56   0.0000   0.0000 -2633.6599  1157.56  ?   ?    25.902   12.971 0.000000 12.97089 
1 1 1  -20   26   21 o   74.617   24.666  4137.71  1737.92   0.0000   0.0000  4137.71  1737.92  ?   ?    74.617   24.666 0.000000 24.66590 
1 1 1  -20   28    1 o  416.490   24.454 73052.02  8233.51   0.0000   0.0000 73052.02  8233.51  ?   ?   416.490   24.454 0.000000 24.45409 
1 1 1  -20   28    2 o  523.440   29.583 117277.40 12521.76   0.0000   0.0000 117277.40 12521.76  ?   ?   523.440   29.583 0.000000 29.58297 
1 1 1  -20   28    3 o   59.646   21.609  1251.28  1347.44   0.0000   0.0000  1251.28  1347.44  ?   ?    59.646   21.609 0.000000 21.60880 
1 1 1  -20   28    4 o   47.681   18.507  610.931  1025.43  314.671  2795.26  657.000  1102.27   68.174   28.962   49.397   19.184 18.77731 34.73892 
1 1 1  -20   28    5 o  114.711   16.242  5547.95  1470.55  7684.93  3051.59  4901.60  1678.27  131.114   29.391  106.671   20.114 24.44318 35.61476 
1 1 1  -20   28    6 o  117.386   16.659  5830.40  1543.27  4289.90  3359.84  6242.32  1737.39  100.109   34.306  121.076   18.239 -20.96695 38.85316 
1 1 1  -20   28    7 o  291.468   19.063 35846.01  4486.69 40754.77  7193.79 32720.95  5739.86  303.074   29.611  273.935   26.122 29.13846 39.48653 
1 1 1  -20   28    8 o  324.151   20.285 44791.32  5312.16 48810.31  8324.06 42029.94  6899.85  327.617   31.688  307.532   27.937 20.08444 42.24408 
1 1 1  -20   28    9 o   74.081   19.773  2423.86  1211.60  2065.10  2839.39  2503.73  1339.69   78.172   30.669   75.209   21.087 2.963669 37.21868 
1 1 1  -20   28   10 o   67.688   17.806  2018.46  991.738 -4472.5610  2813.06  2939.73  1059.78   46.788   22.812   82.112   16.468 -35.32381 28.13526 
1 1 1  -20   28   11 o   97.913   18.832  4246.01  1442.81   61.855  3242.88  5278.70  1611.06   67.936   29.995  109.457   18.805 -41.52117 35.40253 
1 1 1  -20   28   12 f  206.420   11.854 17837.20  1978.54 14791.74  5191.49 18354.71  2140.05  164.837   39.336  208.955   12.673 -44.11810 41.32682 
1 1 1  -20   28   13 o  145.514   10.557  8860.70  1238.79  4964.63  4056.06  9261.51  1300.95   97.189   37.042  148.659   10.853 -51.47017 38.59929 
1 1 1  -20   28   14 o   83.462   9.5640  2932.93  636.437  2927.44  3531.43  2933.11  647.031   81.449   33.406   83.410   9.7369 -1.961037 34.79609 
1 1 1  -20   28   15 o  128.376   10.187  6953.83  1053.16  4106.67  4368.37  7129.52  1085.17   86.796   36.502  129.905   10.375 -43.10954 37.94745 
1 1 1  -20   28   16 o   58.019   13.174  1510.15  606.429  3110.04  3326.51  1455.15  616.765   76.953   32.071   56.814   13.558 20.13896 34.81939 
1 1 1  -20   28   17 f  118.275   10.981  6053.86  1042.55  9307.43  4882.19  5898.42  1067.16  101.058   40.033  116.437   11.435 -15.37936 41.63461 
1 1 1  -20   28   18 o   85.162   21.358  3892.87  1474.27  1421.92  5087.39  4119.40  1540.36   64.869   31.407   87.222   21.808 -22.35262 38.23571 
1 1 1  -20   28   19 f   48.428   21.028  905.120  1535.71   0.0000   0.0000  905.120  1535.71  ?   ?    48.428   21.028 0.000000 21.02769 
1 1 1  -20   30    1 o  213.417   18.966 19256.76  3252.28   0.0000   0.0000 19256.76  3252.28  ?   ?   213.417   18.966 0.000000 18.96584 
1 1 1  -20   30    2 o  126.153   20.412  6872.37  2019.44   0.0000   0.0000  6872.37  2019.44  ?   ?   126.153   20.412 0.000000 20.41223 
1 1 1  -20   30    3 o  118.670   20.412  6107.42  1895.91   0.0000   0.0000  6107.42  1895.91  ?   ?   118.670   20.412 0.000000 20.41212 
1 1 1  -20   30    4 o  115.038   19.545  5731.89  1760.34  7845.39  4313.48  5309.55  1928.22  127.129   38.485  109.629   22.418 17.49974 44.53862 
1 1 1  -20   30    5 o  259.204   17.346 28360.72  3629.58 30643.63  7044.79 27535.75  4234.91  255.627   34.849  253.316   20.772 2.311417 40.57012 
1 1 1  -20   30    6 o  286.261   17.502 34699.86  4048.63 36988.23  7679.10 33818.88  4764.64  279.888   34.522  279.994   21.113 -0.1066895 40.46605 
1 1 1  -20   30    7 o   94.354   20.474  3958.38  1523.53  4996.22  4221.17  3802.93  1633.64  103.785   38.147   91.931   22.148 11.85394 44.11073 
1 1 1  -20   30    8 o  259.072   19.491 29006.79  4070.02 34585.10  7054.62 26223.73  4982.92  268.762   33.022  240.837   25.888 27.92487 41.95971 
1 1 1  -20   30    9 o  129.234   19.071  7334.38  1941.10  8377.86  4357.24  7076.02  2168.13  125.242   38.825  125.339   22.112 -0.9658051E-01 44.68027 
1 1 1  -20   30   10 o  141.295   17.993  8731.69  2017.43  8470.72  4545.70  8795.70  2251.29  123.196   39.845  140.482   20.327 -17.28668 44.73106 
1 1 1  -20   30   11 o   80.473   21.649  3005.96  1445.57  4428.60  3909.67  2780.67  1555.82   94.104   36.245   77.247   23.053 16.85645 42.95517 
1 1 1  -20   30   12 o  104.298   21.247  5055.40  1738.24  9828.42  4303.79  4125.04  1900.11  129.512   38.269   92.050   24.845 37.46149 45.62653 
1 1 1  -20   30   13 o   28.174   10.767  238.545  343.297  1025.93  3074.24  228.603  345.457   67.654   29.557   28.006   10.778 39.64703 31.46085 
1 1 1  -20   30   14 o   25.975   10.871   72.288  384.499   76.260  3900.97   72.249  386.380   66.714   30.803   26.029   10.896 40.68447 32.67306 
1 1 1  -20   30   15 o  107.252   11.261  4964.60  966.021  1885.63  4879.09  5090.23  985.531   73.692   34.173  108.564   11.348 -34.87184 36.00818 
1 1 1  -20   30   16 o   33.853   13.031  383.597  505.085 -6824.8330  4641.00  469.999  508.103   51.083   25.636   35.497   13.200 15.58595 28.83500 
1 1 1  -20   30   17 o   81.008   23.090  3760.09  1592.64 11064.35  5878.43  3181.47  1654.52   87.662   39.429   73.115   24.062 14.54743 46.19136 
1 1 1  -20   30   18 o   45.818   20.234  654.951  1476.35   0.0000   0.0000  654.951  1476.35  ?   ?    45.818   20.234 0.000000 20.23391 
1 1 1  -20   32    1 o  162.306   21.088 11501.78  2713.44   0.0000   0.0000 11501.78  2713.44  ?   ?   162.306   21.088 0.000000 21.08777 
1 1 1  -20   32    2 o  153.584   21.564 10359.82  2614.99   0.0000   0.0000 10359.82  2614.99  ?   ?   153.584   21.564 0.000000 21.56358 
1 1 1  -20   32    3 f  293.262   22.341 37633.24  5279.81   0.0000   0.0000 37633.24  5279.81  ?   ?   293.262   22.341 0.000000 22.34108 
1 1 1  -20   32    4 o  149.436   21.773  9879.43  2564.20   0.0000   0.0000  9879.43  2564.20  ?   ?   149.436   21.773 0.000000 21.77266 
1 1 1  -20   32    5 o   51.190   20.743  601.416  1341.63 -2114.9431  4008.62  944.071  1423.73   66.167   30.783   55.683   21.753 10.48405 37.69287 
1 1 1  -20   32    6 o  184.574   18.285 14755.75  2704.31 15001.50  5995.78 14692.99  3030.02  162.891   44.204  182.531   20.817 -19.64053 48.86060 
1 1 1  -20   32    7 o  133.894   20.318  7979.92  2139.57  5930.60  4942.97  8452.40  2373.44  106.600   40.829  136.807   22.121 -30.20749 46.43688 
1 1 1  -20   32    8 o  238.746   19.998 25194.88  3841.01 26074.19  7935.58 24925.85  4389.45  206.439   48.215  234.017   23.415 -27.57794 53.59969 
1 1 1  -20   32    9 o  320.038   23.704 47113.98  6115.98 52855.10 10551.75 44209.40  7505.30  298.863   44.868  297.026   31.605 1.836792 54.88199 
1 1 1  -20   32   10 o   83.046   24.350  3330.65  1748.42  9733.20  5554.49  2626.49  1842.06  120.853   43.859   74.763   25.403 46.08968 50.68486 
1 1 1  -20   32   11 o   36.487   16.839 -708.3652  1163.85 -1815.2740  4496.00 -628.8640  1204.92   66.229   31.368   37.756   17.318 28.47361 35.83048 
1 1 1  -20   32   12 o   65.350   9.9734  1828.37  512.443 -3761.8650  5115.43  1885.04  515.034   63.633   30.967   66.415   9.8490 -2.781895 32.49549 
1 1 1  -20   32   13 o   44.234   12.470  868.266  467.168 -4806.4102  5257.04  913.435  469.023   60.550   29.856   45.312   12.391 15.23785 32.32504 
1 1 1  -20   32   14 o   48.635   12.271  1066.41  484.554 -1893.1010  5561.50  1089.05  486.404   64.567   31.607   49.158   12.235 15.40817 33.89234 
1 1 1  -20   32   15 o   70.815   24.579  2887.08  1727.26  7628.20  6019.61  2461.70  1803.09   81.706   37.914   66.087   24.809 15.61879 45.30934 
1 1 1  -20   32   16 o   65.105   24.229  2612.57  1712.48 -854.7830  6340.19  2885.44  1778.58   59.601   29.918   67.566   24.773 -7.964828 38.84328 
1 1 1  -20   32   17 o   55.432   22.093  1880.75  1495.29   0.0000   0.0000  1880.75  1495.29  ?   ?    55.432   22.093 0.000000 22.09325 
1 1 1  -20   34    1 o   43.024   19.832 -991.5529  1607.08   0.0000   0.0000 -991.5529  1607.08  ?   ?    43.024   19.832 0.000000 19.83194 
1 1 1  -20   34    2 o   95.220   27.302  4342.41  2220.15   0.0000   0.0000  4342.41  2220.15  ?   ?    95.220   27.302 0.000000 27.30212 
1 1 1  -20   34    3 o  105.393   27.058  5338.92  2327.38   0.0000   0.0000  5338.92  2327.38  ?   ?   105.393   27.058 0.000000 27.05817 
1 1 1  -20   34    4 o  197.658   24.387 17965.33  3830.96   0.0000   0.0000 17965.33  3830.96  ?   ?   197.658   24.387 0.000000 24.38724 
1 1 1  -20   34    5 f  129.101   23.846  7760.99  2407.59  3391.31  6559.11  8441.41  2588.25   95.790   42.458  134.186   24.664 -38.39507 49.10198 
1 1 1  -20   34    6 o  157.485   21.559 11292.02  2684.47 21279.61  7360.96  9759.92  2883.03  179.535   49.087  143.073   25.765 36.46271 55.43753 
1 1 1  -20   34    7 o  119.762   24.522  6863.67  2304.37 11579.52  6250.93  6122.00  2478.97  128.565   46.548  110.643   27.666 17.92173 54.14908 
1 1 1  -20   34    8 o  128.567   23.405  7865.66  2353.25 13490.92  6453.73  7003.05  2527.25  134.583   47.459  118.337   26.910 16.24606 54.55757 
1 1 1  -20   34    9 o   69.257   24.669  2235.89  1747.96 -2052.9519  6190.79  2607.42  1822.10   73.659   35.407   73.407   25.258 0.2518005 43.49331 
1 1 1  -20   34   10 o  109.957   25.351  6155.83  2217.02  7440.08  6943.91  6010.06  2339.46   97.471   43.418  107.124   26.927 -9.653358 51.08947 
1 1 1  -20   34   11 o  148.739   24.538 11222.86  2860.14 16768.41  7821.78 10366.92  3072.95  120.933   49.672  138.334   28.312 -17.40150 57.17394 
1 1 1  -20   34   12 o  120.689   25.914  7879.94  2463.65 12887.94  7675.47  7304.73  2601.29  100.008   45.012  112.795   28.416 -12.78738 53.23075 
1 1 1  -20   34   13 o   76.616   26.579  3523.24  2019.68 -14733.5596  7451.45  4970.83  2098.22   54.391   27.811   91.547   26.627 -37.15535 38.50301 
1 1 1  -20   34   14 o   78.448   27.012  4061.23  2084.10  1868.38  8021.13  4219.98  2158.22   66.002   33.202   79.312   27.478 -13.30961 43.09790 
1 1 1  -20   34   15 o   82.723   27.823  5080.66  2209.54 10049.72  8645.94  4733.46  2285.43   67.227   33.900   78.241   28.172 -11.01329 44.07838 
1 1 1  -20   36    1 o  176.938   27.459 15281.76  3817.14   0.0000   0.0000 15281.76  3817.14  ?   ?   176.938   27.459 0.000000 27.45915 
1 1 1  -20   36    2 o  175.156   27.340 15006.99  3761.25   0.0000   0.0000 15006.99  3761.25  ?   ?   175.156   27.340 0.000000 27.33967 
1 1 1  -20   36    3 o  202.062   26.886 19917.16  4301.69   0.0000   0.0000 19917.16  4301.69  ?   ?   202.062   26.886 0.000000 26.88645 
1 1 1  -20   36    4 o   81.749   29.169  3330.84  2444.77   0.0000   0.0000  3330.84  2444.77  ?   ?    81.749   29.169 0.000000 29.16896 
1 1 1  -20   36    5 o  130.706   29.580  8930.95  3066.03   0.0000   0.0000  8930.95  3066.03  ?   ?   130.706   29.580 0.000000 29.57966 
1 1 1  -20   36    6 o   52.163   23.064   72.322  1923.92  5511.34  7280.38 -336.0220  1994.83   94.190   42.963   50.522   22.823 43.66872 48.64866 
1 1 1  -20   36    7 o   79.811   27.971  3341.37  2239.48 -678.0369  7500.15  3734.80  2346.52   78.471   38.026   83.417   28.666 -4.945854 47.62083 
1 1 1  -20   36    8 o  127.729   28.571  8855.70  2888.94  669.471  8758.31  9855.12  3060.22   80.714   39.544  134.666   28.855 -53.95187 48.95258 
1 1 1  -20   36    9 o   82.549   28.028  3879.23  2242.41  8778.19  8082.49  3470.69  2334.04   91.613   42.975   78.319   28.430 13.29385 51.52757 
1 1 1  -20   36   10 f   73.163   27.393  3063.64  2195.58  4533.46  8989.26  2970.40  2264.15   78.895   38.928   72.238   27.642 6.657005 47.74327 
1 1 1  -20   36   11 f   43.842   20.227 -373.7787  1677.37 -8052.2368  8716.76 -78.5163  1709.32   62.042   31.576   45.858   20.878 16.18407 37.85463 
1 1 1  -20   36   12 o   44.244   20.537 -285.2754  1768.27  7287.19  9201.08 -575.6786  1801.86   71.251   35.804   43.138   20.253 28.11317 41.13527 
1 1 1  -20   36   13 o   58.153   24.304  2048.50  1917.95  8317.82 10047.12  1811.40  1953.89   65.432   33.357   56.418   24.096 9.014404 41.14979 
1 1 1  -20   38    1 o  135.994   34.716 11051.04  3846.53   0.0000   0.0000 11051.04  3846.53  ?   ?   135.994   34.716 0.000000 34.71605 
1 1 1  -20   38    2 o  153.813   33.880 13798.79  4116.96   0.0000   0.0000 13798.79  4116.96  ?   ?   153.813   33.880 0.000000 33.87977 
1 1 1  -20   38    3 o   42.992   20.787 -2477.6340  2209.60   0.0000   0.0000 -2477.6340  2209.60  ?   ?    42.992   20.787 0.000000 20.78651 
1 1 1  -20   38    4 o  106.885   33.735  7191.89  3273.65   0.0000   0.0000  7191.89  3273.65  ?   ?   106.885   33.735 0.000000 33.73497 
1 1 1  -20   38    5 o  120.751   34.425  9339.75  3539.72   0.0000   0.0000  9339.75  3539.72  ?   ?   120.751   34.425 0.000000 34.42491 
1 1 1  -20   38    6 o   74.122   29.557  3123.51  2677.47   0.0000   0.0000  3123.51  2677.47  ?   ?    74.122   29.557 0.000000 29.55702 
1 1 1  -20   38    7 o  256.766   30.625 39354.04  6258.88 50120.13 16012.42 37412.52  6799.86  111.464   54.363  235.222   36.810 -123.7580 65.65245 
1 1 1  -20   38    8 o  144.943   36.165 15121.03  4242.34 11548.22 13813.60 15493.11  4457.77   78.377   39.876  142.911   37.825 -64.53457 54.96235 
1 1 1  -20   38    9 o   81.573   31.255  5093.45  2897.16  3569.17 11533.78  5196.11  2993.12   69.722   35.561   81.599   31.634 -11.87724 47.59489 
1 1 1  -20   38   10 o   68.938   28.389  3504.49  2563.15 -4932.1509 13197.84  3835.17  2612.90   62.312   32.125   71.020   28.886 -8.707352 43.20203 
1 1 1  -20   38   11 o   79.453   30.768  5786.67  2829.07  1723.87 14957.97  5937.40  2881.07   60.427   31.289   79.928   31.022 -19.50167 44.06091 
1 1 1  -20   40    1 f   92.836   37.429  7755.26  4344.53   0.0000   0.0000  7755.26  4344.53  ?   ?    92.836   37.429 0.000000 37.42935 
1 1 1  -20   40    2 o   93.436   36.690  7628.06  4067.11   0.0000   0.0000  7628.06  4067.11  ?   ?    93.436   36.690 0.000000 36.68951 
1 1 1  -20   40    3 o   67.939   31.264  2467.17  3971.31   0.0000   0.0000  2467.17  3971.31  ?   ?    67.939   31.264 0.000000 31.26409 
1 1 1  -20   40    4 o   63.673   29.473  1735.06  3604.87   0.0000   0.0000  1735.06  3604.87  ?   ?    63.673   29.473 0.000000 29.47300 
1 1 1  -20   40    5 o   65.165   29.685  2492.13  3461.41   0.0000   0.0000  2492.13  3461.41  ?   ?    65.165   29.685 0.000000 29.68468 
1 1 1  -20   40    6 f   63.016   28.818  2378.59  3302.82   0.0000   0.0000  2378.59  3302.82  ?   ?    63.016   28.818 0.000000 28.81833 
1 1 1  -20   40    7 o   61.169   28.036  2390.59  3149.84   0.0000   0.0000  2390.59  3149.84  ?   ?    61.169   28.036 0.000000 28.03580 
1 1 1  -19    1    3 f  367.819   14.848 55075.30  4434.43 50726.61  7724.41 57213.02  5415.77  350.832   27.332  374.667   17.802 -23.83514 32.61825 
1 1 1  -19    1    4 o  314.435   11.078 40191.45  2828.45 38553.00  4000.54 41829.07  3999.52  307.322   16.088  320.586   15.365 -13.26425 22.24629 
1 1 1  -19    1    5 o  265.366   9.7315 28612.98  2096.84 29443.39  2958.76 27775.10  2972.05  268.738   13.604  260.954   14.079 7.784668 19.57736 
1 1 1  -19    1    6 o  575.556   19.507 134883.30  9116.19 134618.00 12885.79 135149.20 12898.71  574.143   27.641  575.278   27.614 -1.135010 39.07121 
1 1 1  -19    1    7 o  937.595   31.671 359395.31 24111.17 350996.41 34094.38 367798.00 34102.31  923.167   45.485  945.313   44.429 -22.14594 63.58311 
1 1 1  -19    1    8 o  769.432   36.911 242490.59 23060.31 244817.70 32597.98 240159.41 32626.45  767.939   52.596  760.379   53.180 7.560181 74.79542 
1 1 1  -19    1    9 o  644.186   21.803 169033.91 11404.11 165689.80 16125.47 172380.09 16130.21  636.678   31.193  649.489   30.587 -12.81140 43.68668 
1 1 1  -19    1   10 o  818.782   27.501 274023.59 18283.20 276097.91 25854.12 271948.59 25858.58  819.119   38.873  812.854   39.179 6.264404 55.19131 
1 1 1  -19    1   11 o  391.865   13.659 62504.91  4346.15 60185.78  6144.44 64826.96  6148.32  383.474   19.801  398.593   18.997 -15.11902 27.44050 
1 1 1  -19    1   12 o  345.942   17.569 49018.38  4918.87 45331.33  6947.88 52723.43  6964.81  330.862   26.074  357.447   24.139 -26.58450 35.53167 
1 1 1  -19    1   13 o  386.201   13.561 60833.77  4252.60 62792.96  6012.37 58872.34  6015.80  391.517   18.913  378.472   19.643 13.04562 27.26826 
1 1 1  -19    1   14 o  307.883   11.130 38624.66  2782.39 38071.86  3933.16 39178.44  3936.63  304.680   15.954  309.129   15.736 -4.449219 22.40857 
1 1 1  -19    1   15 o  756.993   26.197 238264.70 16101.90 237821.09 22770.12 238708.41 22772.94  746.110   37.708  747.574   37.637 -1.464050 53.27735 
1 1 1  -19    1   16 o  353.003   12.781 50941.32  3663.41 49705.89  5178.20 52179.27  5183.48  346.934   18.448  355.623   18.010 -8.689301 25.78173 
1 1 1  -19    1   17 o  235.955   9.1919 22701.96  1761.04 23552.40  2495.27 21857.99  2485.74  239.494   12.879  230.599   13.333 8.895416 18.53723 
1 1 1  -19    1   18 o  123.390   7.0473  6222.24  703.128  5962.59  993.001  6483.34  995.752  120.327   10.262  125.575   9.8447 -5.248459 14.22044 
1 1 1  -19    1   19 o   59.121   8.6766  1459.84  404.119  1170.77  557.982  1778.73  586.072   52.230   13.162   64.806   11.562 -12.57606 17.51918 
1 1 1  -19    1   20 o   82.216   8.2739  2800.28  544.833  2696.73  774.991  2901.47  766.107   79.691   12.379   82.902   11.707 -3.210724 17.03764 
1 1 1  -19    1   21 o  277.929   10.574 32082.91  2386.19 33073.29  3374.31 31092.21  3374.86  278.711   14.965  269.784   15.471 8.926605 21.52471 
1 1 1  -19    1   22 o   27.214   11.604   19.396  451.708 -113.4553  579.754  224.634  720.594   28.957   12.738   36.365   15.022 -7.407278 19.69579 
1 1 1  -19    1   23 o  109.286   8.6740  5004.53  763.380  5223.92  1086.69  4790.79  1072.61  109.951   12.388  105.009   12.848 4.941933 17.84745 
1 1 1  -19    1   24 o   89.444   9.4295  3413.95  674.501  3232.57  930.351  3614.91  979.308   84.629   14.030   89.662   13.902 -5.032616 19.75118 
1 1 1  -19    1   25 o   76.841   11.042  2623.45  669.125  2568.21  916.854  2686.40  978.747   72.793   15.953   73.926   16.700 -1.133644 23.09465 
1 1 1  -19    1   26 o   29.297   12.831   45.988  582.510  276.238  782.818 -239.6858  871.960   35.293   15.167   31.903   14.670 3.389322 21.10081 
1 1 1  -19    3    1 o  272.470   20.015 30458.39  4397.08 30458.39  4397.08   0.0000   0.0000  272.470   20.015  ?   ?  0.000000 20.01513 
1 1 1  -19    3    2 f  476.828   23.173 92929.25  8971.88 94424.63 12705.20 91441.85 12671.18  477.931   32.941  470.168   33.409 7.763336 46.91768 
1 1 1  -19    3    3 o  580.937   28.074 138231.30 13242.52 141438.00 18734.09 135029.00 18721.40  583.781   39.759  570.041   40.716 13.73969 56.90838 
1 1 1  -19    3    4 o   92.496   5.7823  3488.12  432.090  2010.84  771.905  4162.25  521.440   69.046   14.241  101.032   6.3893 -31.98558 15.60896 
1 1 1  -19    3    5 o  160.522   7.4334 10465.93  968.854 11770.01  1699.41  9837.96  1179.28  169.706   12.419  155.326   9.3946 14.37975 15.57217 
1 1 1  -19    3    6 o  632.602   21.593 163035.70 11091.13 165428.00 15677.17 160638.59 15693.29  636.148   30.351  626.802   30.835 9.345459 43.26637 
1 1 1  -19    3    7 o  229.732   8.5580 21437.22  1596.38 20827.00  2245.03 22061.32  2270.42  226.046   12.278  232.684   12.058 -6.637238 17.20901 
1 1 1  -19    3    8 o  437.151   17.145 77732.73  6085.51 68576.46 10490.30 82376.95  7471.11  408.420   31.886  449.838   20.455 -41.41776 37.88273 
1 1 1  -19    3    9 o  127.825   5.9054  6635.15  612.924  6217.67  858.645  7068.90  875.203  123.420   8.6224  131.665   8.2278 -8.244766 11.91813 
1 1 1  -19    3   10 o  540.549   18.101 118996.40  7944.65 117903.80 11225.36 120093.00 11245.52  537.208   25.735  542.197   25.544 -4.989563 36.25959 
1 1 1  -19    3   11 o  690.227   23.576 195012.70 13213.03 208690.09 18675.70 181304.91 18696.40  711.462   32.329  661.425   34.937 50.03693 47.59948 
1 1 1  -19    3   12 o  561.516   22.060 129337.70 10058.02 127929.50 12306.40 132170.80 17455.41  556.958   27.213  560.527   38.588 -3.569031 47.21795 
1 1 1  -19    3   13 o  373.398   13.057 56852.16  3958.74 56291.03  5585.51 57418.53  5611.60  370.260   18.638  374.441   18.457 -4.180664 26.23086 
1 1 1  -19    3   14 o  629.779   21.379 163232.41 10932.21 159292.09 15448.30 167185.09 15472.68  617.647   30.804  633.162   30.096 -15.51587 43.06562 
1 1 1  -19    3   15 o  366.461   12.682 54835.17  3773.51 54575.68  5327.22 55096.51  5345.93  364.534   17.998  366.275   17.975 -1.740570 25.43700 
1 1 1  -19    3   16 o  257.984   9.8177 27133.23  2056.57 28444.23  2897.40 25802.08  2919.58  263.299   13.599  250.573   14.411 12.72557 19.81403 
1 1 1  -19    3   17 o  217.279   8.5873 19241.23  1515.00 19407.26  2125.06 19069.63  2160.45  217.473   12.082  215.507   12.399 1.966568 17.31209 
1 1 1  -19    3   18 o  140.848   7.2666  8105.38  828.209  8343.51  1138.23  7837.44  1207.36  142.528   9.8967  137.949   10.867 4.578796 14.69818 
1 1 1  -19    3   19 o   66.693   8.2772  1846.43  438.598  1337.54  602.682  2419.40  639.497   55.764   13.463   76.021   10.653 -20.25667 17.16794 
1 1 1  -19    3   20 o  229.545   9.2453 21681.25  1723.16 22176.88  2447.17 21193.82  2426.80  230.246   13.144  224.967   13.345 5.278336 18.73139 
1 1 1  -19    3   21 o   61.326   10.277  1600.07  493.631  1390.70  644.405  1897.39  767.929   56.291   14.122   65.676   14.760 -9.385159 20.42789 
1 1 1  -19    3   22 o   71.326   10.630  2170.75  596.823  2321.56  798.546  1979.91  898.305   72.621   14.051   66.127   16.720 6.493393 21.84009 
1 1 1  -19    3   23 o   73.801   9.8591  2323.08  576.028  2453.51  770.075  2157.41  867.928   74.550   13.205   68.690   15.879 5.859840 20.65238 
1 1 1  -19    3   24 o   96.683   8.6533  3956.81  672.134  3721.81  894.434  4261.66  1018.73   91.888   12.296   97.883   13.151 -5.994354 18.00384 
1 1 1  -19    3   25 o   37.233   13.630  564.583  538.099  1177.31  706.683 -280.8516  830.104   49.493   15.680   31.784   14.501 17.70913 21.35733 
1 1 1  -19    3   26 o   54.634   13.603  1469.72  601.125  1465.61  787.931  1475.43  929.817   52.562   16.546   51.884   18.032 0.6776962 24.47304 
1 1 1  -19    5    1 o  676.371   47.347 191053.70 25838.45 191053.70 25838.45   0.0000   0.0000  676.371   47.347  ?   ?  0.000000 47.34684 
1 1 1  -19    5    2 o  393.882   19.402 63229.42  6205.27 60104.90  8783.56 66342.63  8767.63  382.139   28.513  401.848   27.028 -19.70889 39.28777 
1 1 1  -19    5    3 o  583.669   28.174 139342.30 13352.25 137309.50 18882.69 141375.09 18883.17  575.721   40.655  584.396   40.036 -8.674805 57.05910 
1 1 1  -19    5    4 o  498.243   24.164 101282.90  9775.76 103091.00 13822.63 99473.63 13827.39  500.297   34.233  491.264   34.892 9.033142 48.88054 
1 1 1  -19    5    5 o  376.217   15.376 57566.41  4696.97 49720.85  8159.12 61455.11  5744.25  347.628   29.176  388.576   18.206 -40.94797 34.39048 
1 1 1  -19    5    6 o  1123.12   44.629 519269.31 40699.25 453204.41 70513.20 552273.69 49839.11  1027.66   85.275  1154.94   53.146 -127.2805 100.4809 
1 1 1  -19    5    7 o  495.381   24.032 100004.40  9666.47 100403.40 13668.54 99605.04 13672.38  494.253   34.271  492.246   34.424 2.006989 48.57495 
1 1 1  -19    5    8 o  309.946   12.955 39044.88  3260.46 43650.92  5584.86 36663.31  4015.86  326.738   21.165  299.784   16.562 26.95361 26.87489 
1 1 1  -19    5    9 o  1157.34   38.835 550139.31 36493.83 560344.12 51593.93 539921.69 51626.22  1161.44   54.710  1139.56   55.795 21.87866 78.14227 
1 1 1  -19    5   10 o  246.956   8.8398 24780.97  1772.55 24937.15  2491.70 24620.95  2522.11  247.317   12.448  245.719   12.684 1.597717 17.77199 
1 1 1  -19    5   11 o  527.551   20.874 113811.50  8941.64 136388.20 15504.68 102560.90 10945.12  573.353   33.450  498.850   27.124 74.50336 43.06474 
1 1 1  -19    5   12 o  495.341   19.695 100492.10  7921.30 100979.10  9690.41 99511.23 13751.82  495.467   24.087  487.196   34.996 8.270752 42.48455 
1 1 1  -19    5   13 o  232.280   8.7910 21949.32  1658.01 21522.02  2328.04 22389.13  2361.90  229.427   12.545  234.025   12.475 -4.597931 17.69140 
1 1 1  -19    5   14 o  241.157   9.3945 23675.44  1839.54 25210.00  2585.15 22101.42  2618.18  248.224   12.871  232.209   13.951 16.01471 18.98100 
1 1 1  -19    5   15 o  300.568   10.741 36834.34  2621.31 36812.31  3689.49 36856.80  3724.94  299.458   15.224  299.609   15.363 -0.1513672 21.62873 
1 1 1  -19    5   16 o  135.258   7.0659  7464.18  773.319  8199.74  1066.52  6648.74  1122.94  141.536   9.3327  127.163   10.983 14.37376 14.41304 
1 1 1  -19    5   17 o  215.445   8.7276 18923.51  1526.75 18419.99  2131.60 19453.93  2187.80  211.745   12.453  217.630   12.432 -5.885742 17.59663 
1 1 1  -19    5   18 f  307.804   11.346 38837.63  2835.62 40038.82  3996.46 37619.82  4024.03  310.712   15.894  300.894   16.534 9.817627 22.93460 
1 1 1  -19    5   19 o  215.980   8.9781 19114.74  1574.47 19854.15  2217.17 18362.56  2236.22  218.823   12.531  210.186   13.170 8.637527 18.17851 
1 1 1  -19    5   20 o   76.156   8.0148  2405.08  488.164  1800.10  651.485  3179.63  737.162   64.640   12.865   87.072   10.649 -22.43109 16.70036 
1 1 1  -19    5   21 o  264.770   10.466 29140.91  2249.99 31849.68  3185.20 26443.13  3178.73  273.653   14.386  248.068   15.864 25.58424 21.41549 
1 1 1  -19    5   22 o  129.671   8.1228  6978.94  850.922  6358.33  1130.85  7788.98  1291.95  122.400   11.514  135.391   11.872 -12.99048 16.53825 
1 1 1  -19    5   23 o   26.758   11.017  116.191  385.962  426.033  455.305 -675.0152  727.576   34.256   12.538   27.285   12.829 6.971012 17.93864 
1 1 1  -19    5   24 o   98.384   8.5964  4099.37  679.823  3994.66  883.219  4251.58  1064.90   95.517   11.628   97.140   13.897 -1.622353 18.12022 
1 1 1  -19    5   25 o   93.769   10.317  3864.47  772.534  3301.90  935.929  5067.20  1368.48   83.826   14.261  101.236   17.268 -17.41022 22.39546 
1 1 1  -19    5   26 o   31.570   12.253  371.378  449.458  235.404  523.560  752.341  876.354   30.524   12.723   41.522   16.786 -10.99745 21.06257 
1 1 1  -19    7    1 o  619.763   23.787 156683.30 11970.46 156327.30 20759.99 156860.59 14651.41  614.656   41.846  619.380   29.133 -4.724365 50.98802 
1 1 1  -19    7    2 o  862.870   60.447 312770.50 42082.93 312770.50 42082.93   0.0000   0.0000  862.870   60.447  ?   ?  0.000000 60.44681 
1 1 1  -19    7    3 o  1017.62   71.709 439460.19 58872.38 439460.19 58872.38   0.0000   0.0000  1017.62   71.709  ?   ?  0.000000 71.70945 
1 1 1  -19    7    5 o  1085.69   76.374 500016.50 66898.36 500016.50 66898.36   0.0000   0.0000  1085.69   76.374  ?   ?  0.000000 76.37434 
1 1 1  -19    7    6 o  898.235   43.184 331548.50 31495.52 322217.00 44555.43 340868.31 44527.37  877.513   62.951  903.454   61.058 -25.94147 87.69765 
1 1 1  -19    7    7 o  389.178   16.072 61592.16  5078.67 51133.50  8835.94 66751.95  6206.27  352.438   31.199  405.024   18.872 -52.58636 36.46270 
1 1 1  -19    7    8 o  553.685   26.660 125088.40 11985.53   0.0000   0.0000 125088.40 11985.53  ?   ?   553.685   26.660 0.000000 26.65973 
1 1 1  -19    7    9 o  872.815   34.403 312590.59 24381.38 320733.59 42264.49 308529.09 29848.72  872.875   59.997  864.718   42.512 8.157715 73.53187 
1 1 1  -19    7   10 o  600.401   21.066 147227.00 10269.61 158981.00 14509.79 135428.59 14537.10  622.320   28.715  572.946   31.367 49.37299 42.52603 
1 1 1  -19    7   11 o   88.336   6.9695  3190.71  495.833  5578.63  953.052  2304.50  580.595  116.665   10.162   74.632   9.8193 42.03278 14.13130 
1 1 1  -19    7   12 o  609.660   23.805 152963.91 11784.09 149181.50 14424.63 160553.41 20432.96  599.861   29.615  615.202   41.142 -15.34094 50.69252 
1 1 1  -19    7   13 o  331.201   11.317 44693.13  3043.47 42692.46  4288.26 46723.68  4320.15  322.660   16.422  338.079   15.738 -15.41937 22.74575 
1 1 1  -19    7   14 o  463.102   16.363 87834.30  6152.90 87238.85  8681.16 88435.34  8722.01  458.891   23.376  462.056   23.323 -3.164581 33.02140 
1 1 1  -19    7   15 o  330.173   11.740 44497.33  3147.28 43329.95  4429.98 45687.05  4472.16  324.462   16.873  333.683   16.506 -9.221313 23.60427 
1 1 1  -19    7   16 o  278.899   10.648 31748.38  2411.39 30768.91  3384.44 32758.29  3436.60  273.373   15.309  282.162   15.054 -8.788452 21.47081 
1 1 1  -19    7   17 o  326.945   12.144 43775.51  3223.76 43692.32  4533.66 43860.57  4584.93  324.774   17.254  325.339   17.420 -0.5653381 24.51821 
1 1 1  -19    7   18 o  100.523   7.2664  4141.76  589.104  3615.12  737.427  5070.67  979.372   93.477   9.8647  110.661   11.047 -17.18321 14.81070 
1 1 1  -19    7   19 o   92.618   8.0156  3536.66  596.853  3523.03  772.220  3556.87  940.635   91.932   10.535   91.772   12.986 0.1594849 16.72200 
1 1 1  -19    7   20 o   73.954   8.3633  2275.39  493.372  2595.36  600.914  1613.55  864.236   78.763   9.5945   60.589   16.919 18.17363 19.44980 
1 1 1  -19    7   21 o   17.356   8.2604 -401.6994  319.300 -293.7668  351.858 -905.2724  760.015   19.787   9.1763   26.799   12.752 -7.011976 15.71014 
1 1 1  -19    7   22 o  113.609   8.1241  5368.14  744.474  5555.90  956.391  5079.43  1185.95  114.740   10.378  108.106   13.828 6.634155 17.28878 
1 1 1  -19    7   23 o   80.916   8.9887  2771.50  580.587  2355.48  709.957  3611.46  1008.78   73.189   12.389   89.980   14.285 -16.79131 18.90858 
1 1 1  -19    7   24 o   31.859   12.017  352.802  424.127 -25.2254  488.898  1502.67  852.669   27.121   11.820   55.951   17.147 -28.82955 20.82606 
1 1 1  -19    7   25 o   26.156   10.849  126.617  378.085  355.286  418.282 -894.5122  883.906   31.347   11.908   28.316   13.550 3.030741 18.03848 
1 1 1  -19    7   26 o   19.519   9.1267 -277.6115  359.540 -325.1043  394.152 -42.2675  877.408   20.134   9.4593   33.095   15.025 -12.96094 17.75503 
1 1 1  -19    9    1 o  511.141   20.401 106379.30  8467.13 98807.48 14677.08 110156.20 10365.99  489.588   37.199  519.795   24.561 -30.20697 44.57561 
1 1 1  -19    9    2 o  452.879   21.986 83547.48  8084.84 90965.68 11493.23 76281.02 11375.08  470.906   30.218  430.637   32.778 40.26923 44.58157 
1 1 1  -19    9    3 o  325.094   17.091 43110.48  4495.50 35883.20  6416.77 50077.16  6300.02  295.342   27.059  349.915   22.290 -54.57291 35.05735 
1 1 1  -19    9    4 o  1019.89   49.461 429074.09 40959.18 410001.00 57974.46 448082.19 57875.71  985.440   72.974  1032.24   69.456 -46.79852 100.7439 
1 1 1  -19    9    5 f  1332.13   95.069 764650.31 102155.90 764650.31 102155.90   0.0000   0.0000  1332.13   95.069  ?   ?  0.000000 95.06896 
1 1 1  -19    9    6 o  875.136   42.169 314436.81 29964.54 305991.81 42412.85 322852.91 42339.77  855.924   61.436  880.009   59.606 -24.08527 85.59956 
1 1 1  -19    9    7 o  213.827   9.6340 18574.30  1672.67 19910.40  2985.61 17963.10  2019.33  220.604   16.794  209.908   11.897 10.69595 20.58092 
1 1 1  -19    9    8 o  549.141   21.506 122903.40  9589.39 131403.09 16686.16 118711.80 11717.67  564.599   36.595  539.122   26.768 25.47644 45.34014 
1 1 1  -19    9    9 o  170.230   7.5719 11772.77  1046.59 20117.08  1901.01  8143.59  1253.70  222.455   10.525  141.098   11.031 81.35658 15.24606 
1 1 1  -19    9   10 o  585.903   23.162 140644.50 11018.96 153392.20 19154.96 134339.59 13471.02  605.628   39.162  570.388   29.184 35.23999 48.84069 
1 1 1  -19    9   11 o  204.280   9.5443 16976.49  1583.11 14694.46  2812.95 18034.36  1915.21  188.624   18.609  210.166   11.264 -21.54208 21.75265 
1 1 1  -19    9   12 o  474.316   16.356 91966.87  6299.20 96006.30  8899.18 87910.63  8917.68  483.092   22.687  461.359   23.887 21.73267 32.94402 
1 1 1  -19    9   13 o  328.612   12.099 44032.45  3228.16 45148.29  4552.98 42904.45  4577.74  331.629   16.965  323.144   17.512 8.485229 24.38235 
1 1 1  -19    9   14 o  193.611   7.9370 15252.25  1247.75 15029.56  1744.47 15485.52  1785.40  191.651   11.260  194.534   11.353 -2.882538 15.98940 
1 1 1  -19    9   15 o  215.376   8.6088 18891.03  1505.49 20455.25  2111.82 17274.60  2146.78  223.524   11.676  205.153   12.954 18.37083 17.43973 
1 1 1  -19    9   16 o  415.710   14.554 70913.99  4912.75 70040.21  6930.01 71796.74  6965.48  410.352   20.868  416.069   20.618 -5.717377 29.33532 
1 1 1  -19    9   17 o  149.179   7.3561  9067.10  891.035  9660.41  1223.46  8396.95  1300.28  153.454   9.8715  142.780   11.308 10.67329 15.01081 
1 1 1  -19    9   18 o   22.995   9.3885   78.575  277.340   28.717  304.767  318.776  668.946   22.960   9.6479   37.334   14.810 -14.37369 17.67498 
1 1 1  -19    9   19 o  130.579   7.4522  6999.67  786.849  7537.75  1048.51  6305.96  1190.52  135.037   9.6257  122.792   12.098 12.24474 15.45998 
1 1 1  -19    9   20 o   63.728   8.9749  1705.45  451.540  1481.95  574.285  2067.35  730.775   58.506   12.470   69.070   13.514 -10.56468 18.38863 
1 1 1  -19    9   21 o   30.699   10.649  357.757  324.172  724.900  356.643 -1387.5060  777.582   40.932   10.635   24.387   11.913 16.54501 15.96875 
1 1 1  -19    9   22 o  169.908   8.6914 12030.77  1195.06 12233.75  1616.69 11786.25  1774.44  169.507   11.820  165.331   13.331 4.175858 17.81701 
1 1 1  -19    9   23 o   56.111   10.140  1368.59  444.959  1465.05  500.719  1006.42  970.247   57.770   11.078   49.408   18.267 8.361897 21.36340 
1 1 1  -19    9   24 o   25.158   10.738   36.691  387.587 -113.7137  409.324  1341.04  1205.41   23.618   10.529   53.685   20.257 -30.06693 22.83039 
1 1 1  -19    9   25 o   61.661   11.252  1736.39  542.589  1492.10  594.773  2948.18  1324.66   55.875   13.301   71.346   21.267 -15.47159 25.08376 
1 1 1  -19   11    1 o  1238.98   48.384 632157.50 48674.53 651094.69 84338.56 622699.62 59602.64  1237.11   84.466  1225.05   59.920 12.05383 103.5615 
1 1 1  -19   11    2 o  845.712   40.955 293351.81 28123.22 285524.19 39840.79 301125.91 39704.04  827.641   59.686  850.725   57.822 -23.08362 83.10105 
1 1 1  -19   11    3 o  542.711   26.727 120097.90 11777.82 113283.70 16720.99 126807.80 16592.46  524.290   39.570  555.362   37.008 -31.07159 54.17867 
1 1 1  -19   11    4 o  772.685   37.524 244491.80 23542.43 234459.59 33365.16 254439.00 33223.33  751.047   55.097  783.353   52.538 -32.30652 76.13076 
1 1 1  -19   11    5 o  366.978   18.579 54935.80  5518.14 53932.55  7868.25 55906.85  7740.96  362.650   26.913  369.389   25.974 -6.738770 37.40277 
1 1 1  -19   11    6 o  314.686   16.388 40388.90  4172.97 36968.77  5958.46 43681.24  5846.08  300.113   24.670  326.700   22.169 -26.58685 33.16778 
1 1 1  -19   11    7 o  505.331   35.325 105276.50 14402.90   0.0000   0.0000 105276.50 14402.90  ?   ?   505.331   35.325 0.000000 35.32450 
1 1 1  -19   11    8 o  495.769   18.590 100190.10  7483.57 120818.40 13083.57 90159.65  9123.34  541.898   29.850  469.060   24.035 72.83844 38.32406 
1 1 1  -19   11    9 o  283.916   11.290 32793.38  2602.67 43924.62  4629.54 27649.57  3147.09  327.656   17.464  260.070   14.966 67.58682 22.99988 
1 1 1  -19   11   10 o  225.352   10.888 20669.12  1992.31 13659.65  3572.23 23833.83  2400.29  180.582   25.036  241.599   12.276 -61.01704 27.88413 
1 1 1  -19   11   11 o  167.572   9.7869 11465.71  1325.84 14717.68  1981.30  8828.56  1784.20  189.573   12.949  146.269   15.247 43.30374 20.00380 
1 1 1  -19   11   12 o  335.133   13.476 45830.55  3667.05 56096.45  6471.45 40975.24  4450.53  368.667   21.715  315.879   17.419 52.78824 27.83808 
1 1 1  -19   11   13 o   29.808   10.911  289.376  344.817  1402.89  619.853 -209.6288  414.947   57.470   13.511   23.279   10.473 34.19063 17.09459 
1 1 1  -19   11   14 o  361.571   15.148 53545.93  4447.26 50157.59  7826.08 55161.95  5404.71  345.201   28.167  366.280   18.173 -21.07965 33.52032 
1 1 1  -19   11   15 o  129.522   8.5148  6862.70  890.491  4942.28  1718.24  7567.93  1041.24  107.618   20.410  135.923   9.4941 -28.30522 22.51043 
1 1 1  -19   11   16 o  377.892   16.087 58822.43  4936.00 52459.95  8695.84 61846.94  5995.49  348.965   31.013  386.342   19.112 -37.37677 36.42909 
1 1 1  -19   11   17 o  153.890   7.3326  9654.42  916.231 10299.74  1264.95  8942.20  1328.90  158.382   9.8856  147.288   11.196 11.09377 14.93549 
1 1 1  -19   11   18 o  169.255   8.2763 11722.55  1137.41 12884.47  1582.98 10482.45  1635.38  176.558   11.099  158.701   12.800 17.85724 16.94155 
1 1 1  -19   11   19 o  218.947   8.9756 19716.92  1595.66 19258.78  2239.33 20189.48  2274.29  214.554   12.914  219.749   12.802 -5.194962 18.18415 
1 1 1  -19   11   20 o   88.926   7.4968  3270.67  536.258  3531.54  680.779  2844.14  870.488   92.006   9.2375   81.123   13.704 10.88382 16.52639 
1 1 1  -19   11   21 o  128.515   8.1897  6852.60  850.138  6620.88  1109.92  7181.51  1322.34  125.229   11.028  129.659   12.724 -4.430176 16.83830 
1 1 1  -19   11   22 o   53.338   10.791  1240.51  451.285  1141.57  499.563  1679.48  1052.23   50.759   12.259   60.242   19.138 -9.483002 22.72753 
1 1 1  -19   11   23 o  134.275   8.5730  7592.75  929.811  7814.73  1202.76  7263.05  1465.83  134.623   11.102  127.251   14.443 7.372276 18.21674 
1 1 1  -19   11   24 o   77.715   9.5941  2624.36  592.553  2987.85  658.464  1076.54  1358.78   82.757   10.002   50.937   20.787 31.81973 23.06812 
1 1 1  -19   11   25 o   29.693   11.110  335.839  360.991  358.568  379.597  120.883  1167.36   30.483   11.395   38.876   17.520 -8.393347 20.89980 
1 1 1  -19   13    1 o  608.064   24.442 150656.20 12067.55 135766.20 20947.63 158052.30 14763.49  572.965   45.398  622.326   29.217 -49.36090 53.98719 
1 1 1  -19   13    2 o  376.825   16.199 57742.89  4956.28 53558.46  8589.48 59831.47  6068.42  361.040   29.559  382.937   19.582 -21.89725 35.45749 
1 1 1  -19   13    3 o  536.162   27.112 117563.00 11764.89 101994.40 16719.98 132830.30 16557.34  496.696   41.848  568.479   36.057 -71.78201 55.23901 
1 1 1  -19   13    4 o  425.775   21.449 74021.69  7391.45 72127.95 10529.66 75861.33 10378.17  418.938   31.178  429.901   29.918 -10.96243 43.21034 
1 1 1  -19   13    5 o  434.843   22.205 77267.77  7814.15 68974.09 11132.32 85323.11 10971.19  408.957   33.829  455.870   29.804 -46.91223 45.08493 
1 1 1  -19   13    6 o  602.372   42.135 150565.41 20478.62   0.0000   0.0000 150565.41 20478.62  ?   ?   602.372   42.135 0.000000 42.13485 
1 1 1  -19   13    7 o  298.848   15.416 36465.71  3727.98 39932.57  5364.12 33226.80  5184.78  311.998   21.302  284.257   22.652 27.74097 31.09437 
1 1 1  -19   13    8 o  422.701   17.573 72917.40  6031.50 73690.63 10616.68 72548.90  7329.12  421.484   31.244  420.547   21.536 0.9368286 37.94733 
1 1 1  -19   13    9 o  302.680   11.969 37306.84  2941.55 47161.29  5267.37 32840.80  3546.00  338.978   19.216  283.283   15.475 55.69547 24.67276 
1 1 1  -19   13   10 o  257.459   11.995 27003.73  2507.62 19707.42  4505.83 30277.53  3018.21  217.074   26.086  272.136   13.703 -55.06174 29.46646 
1 1 1  -19   13   11 o  391.559   16.521 62706.87  5252.57 57647.32  9263.00 65104.76  6376.92  370.793   31.053  398.353   19.715 -27.56049 36.78268 
1 1 1  -19   13   12 o  409.807   16.243 68744.04  5404.70 75889.87  9532.98 65359.17  6561.06  426.441   27.681  398.162   20.363 28.27914 34.36404 
1 1 1  -19   13   13 o  243.413   10.665 24154.17  2107.89 27692.64  3834.03 22621.29  2523.49  258.961   18.353  234.928   13.283 24.03383 22.65567 
1 1 1  -19   13   14 o  213.551   10.345 18599.51  1793.86 14237.01  3284.86 20453.39  2141.36  184.012   22.451  223.475   11.843 -39.46257 25.38316 
1 1 1  -19   13   15 o  352.777   15.009 51109.13  4299.12 46938.17  7636.45 53044.45  5201.75  332.053   28.602  358.540   17.868 -26.48709 33.72482 
1 1 1  -19   13   16 o  293.461   13.017 35356.27  3101.77 33147.59  5583.02 36342.37  3730.48  279.088   24.899  296.436   15.553 -17.34790 29.35705 
1 1 1  -19   13   17 o  117.358   9.8225  5681.76  927.393  5959.78  1792.23  5580.09  1083.77  117.657   19.439  115.918   11.673 1.738823 22.67478 
1 1 1  -19   13   18 o  144.074   9.9681  8582.44  1158.93  9478.37  2606.14  8361.59  1293.90  146.312   22.671  141.824   11.331 4.487778 25.34435 
1 1 1  -19   13   19 o  141.724   9.9874  8342.80  1141.95  7677.07  2503.02  8517.79  1283.28  128.822   24.830  142.816   11.155 -13.99408 27.22052 
1 1 1  -19   13   20 o  178.048   10.867 13272.43  1563.49 15842.94  3429.49 12598.00  1756.67  185.152   23.330  172.539   12.627 12.61272 26.52781 
1 1 1  -19   13   21 o  235.379   12.744 23643.08  2426.62 25117.68  4859.06 23153.12  2800.90  224.542   27.206  230.749   15.031 -6.206696 31.08263 
1 1 1  -19   13   22 o  121.010   8.5736  6141.54  836.958  7110.22  1067.15  4593.40  1349.08  129.388   10.241   99.803   17.273 29.58561 20.08109 
1 1 1  -19   13   23 o  114.516   8.6907  5557.78  802.057  5080.31  983.098  6508.19  1387.00  107.851   11.399  119.675   14.575 -11.82418 18.50278 
1 1 1  -19   13   24 o   61.776   10.222  1697.73  494.809  1620.74  530.966  2206.00  1364.22   59.741   11.361   62.401   21.834 -2.659447 24.61257 
1 1 1  -19   13   25 o   27.727   10.806  262.877  350.733  213.973  364.817  859.815  1274.58   27.024   10.864   44.783   19.301 -17.75839 22.14785 
1 1 1  -19   15    1 o  745.432   29.911 227212.20 18104.09 206108.80 31434.09 237686.80 22145.87  701.823   55.617  761.242   35.829 -59.41876 66.15830 
1 1 1  -19   15    2 o  559.992   22.710 127862.90 10326.30 118861.10 17919.65 132338.30 12635.13  535.691   41.523  569.158   27.341 -33.46771 49.71548 
1 1 1  -19   15    3 o  672.441   33.906 185971.59 18453.08 158684.00 26185.44 212892.00 26008.66  615.219   52.935  716.190   44.953 -100.9707 69.44692 
1 1 1  -19   15    4 o  210.627   12.950 18110.83  2204.01 13530.51  3205.40 22218.24  3035.42  180.735   22.316  233.063   16.139 -52.32835 27.54092 
1 1 1  -19   15    5 o  255.096   19.731 26706.33  4055.01   0.0000   0.0000 26706.33  4055.01  ?   ?   255.096   19.731 0.000000 19.73054 
1 1 1  -19   15    6 o  569.496   28.189 133290.09 13034.73 130413.60 18541.95 136100.41 18327.71  558.082   41.210  570.758   39.796 -12.67572 57.28888 
1 1 1  -19   15    7 o  437.709   21.876 78484.05  7774.77 79832.67 11110.10 77189.83 10883.78  438.315   31.426  430.999   31.314 7.316772 44.36394 
1 1 1  -19   15    8 o   87.089   9.2366  3119.49  643.184  2997.97  1058.45  3190.62  809.858   84.316   16.047   87.758   11.654 -3.442337 19.83195 
1 1 1  -19   15    9 o  285.520   13.018 33232.18  3017.90 32623.97  5465.68 33498.93  3619.70  280.486   24.237  285.984   15.647 -5.498230 28.84933 
1 1 1  -19   15   10 o  173.827   12.622 12384.20  1769.31  4693.91  2734.23 17924.17  2320.69  105.032   30.352  209.140   13.743 -104.1081 33.31816 
1 1 1  -19   15   11 o  198.717   9.7923 16078.97  1580.00 13395.57  2988.61 17119.91  1861.40  179.276   20.925  204.647   11.245 -25.37094 23.75480 
1 1 1  -19   15   12 o   98.935   7.6584  4005.81  610.418  2076.35  1399.17  4459.38  678.382   71.001   21.999  104.375   8.0672 -33.37353 23.43186 
1 1 1  -19   15   13 o  213.841   10.821 18701.68  1872.68 11861.30  3494.27 21458.08  2218.13  166.586   26.738  228.917   11.975 -62.33025 29.29683 
1 1 1  -19   15   14 o  229.914   10.767 21581.41  2009.96 20096.38  3747.11 22181.30  2381.57  219.111   21.332  232.502   12.663 -13.39105 24.80764 
1 1 1  -19   15   15 o  300.986   12.871 37148.73  3145.54 40955.70  5749.46 35522.44  3757.82  311.953   22.858  293.166   15.845 18.78732 27.81278 
1 1 1  -19   15   16 o  310.275   13.888 39717.40  3498.79 36932.01  6380.00 40915.37  4184.08  291.615   27.261  313.493   16.495 -21.87857 31.86314 
1 1 1  -19   15   17 o  222.709   11.509 20514.00  2074.02 18615.22  4098.30 21167.70  2404.68  205.204   25.122  225.596   13.185 -20.39250 28.37138 
1 1 1  -19   15   18 o   78.534   12.269  2622.38  756.784  3831.62  2142.68  2450.03  808.919   90.597   27.057   75.452   13.709 15.14534 30.33154 
1 1 1  -19   15   19 o  111.436   11.466  5230.42  1022.64  4194.34  2571.59  5425.04  1114.55   92.348   29.979  113.200   12.325 -20.85212 32.41391 
1 1 1  -19   15   20 o   33.563   14.494 -10.1626  721.684 -942.3174  1872.08  152.544  782.136   46.363   21.383   36.701   15.440 9.662056 26.37464 
1 1 1  -19   15   21 o  201.111   11.870 17252.59  1929.80 21008.66  3999.20 16112.52  2203.29  207.277   24.219  192.347   14.208 14.93010 28.07868 
1 1 1  -19   15   22 o  118.519   12.543  6148.49  1188.69  8109.57  2973.63  5775.52  1296.80  116.651   30.902  113.579   14.384 3.071892 34.08587 
1 1 1  -19   15   23 o   57.732   22.709  1640.39  1560.58   0.0000   0.0000  1640.39  1560.58  ?   ?    57.732   22.709 0.000000 22.70875 
1 1 1  -19   15   24 o   79.017   23.426  3884.90  1610.53   0.0000   0.0000  3884.90  1610.53  ?   ?    79.017   23.426 0.000000 23.42570 
1 1 1  -19   15   25 f   59.326   24.236  2945.11  1849.52   0.0000   0.0000  2945.11  1849.52  ?   ?    59.326   24.236 0.000000 24.23587 
1 1 1  -19   17    1 o  533.622   21.777 116351.70  9435.70 103375.70 16466.95 122695.00 11513.28  497.323   41.149  547.246   25.911 -49.92264 48.62683 
1 1 1  -19   17    2 f  299.543   13.542 36522.41  3293.69 27205.64  5743.52 41087.64  4020.47  255.947   28.099  317.579   15.591 -61.63145 32.13500 
1 1 1  -19   17    3 o  353.618   26.418 51587.51  7530.39   0.0000   0.0000 51587.51  7530.39  ?   ?   353.618   26.418 0.000000 26.41754 
1 1 1  -19   17    4 o  425.127   30.884 74943.61 10587.86   0.0000   0.0000 74943.61 10587.86  ?   ?   425.127   30.884 0.000000 30.88356 
1 1 1  -19   17    5 o  290.773   16.083 34599.40  3782.29 32942.74  5482.26 36104.20  5224.95  282.284   24.151  296.067   21.890 -13.78360 32.59515 
1 1 1  -19   17    6 o  421.081   20.915 72653.11  7150.80 79893.87 10248.25 65782.98  9982.51  438.828   28.924  397.302   31.195 41.52560 42.54094 
1 1 1  -19   17    7 f  435.628   21.568 77866.49  7628.84 84910.19 10933.01 71182.52 10650.18  451.759   29.976  412.743   32.030 39.01602 43.86841 
1 1 1  -19   17    8 o  523.019   25.776 112907.20 10946.35 118659.00 15630.24 107370.70 15334.94  530.701   36.494  504.078   37.741 26.62314 52.49941 
1 1 1  -19   17    9 o  215.416   19.540 19190.10  3380.59 19190.10  3380.59   0.0000   0.0000  215.416   19.540  ?   ?  0.000000 19.54009 
1 1 1  -19   17   10 o  546.292   21.233 122865.10  9418.52 135789.80 16626.67 116758.00 11429.11  565.731   36.389  529.808   26.653 35.92310 45.10564 
1 1 1  -19   17   11 o  407.804   17.572 68257.87  5818.49 60663.39 10398.88 71719.13  7020.29  377.377   34.312  417.130   20.727 -39.75302 40.08655 
1 1 1  -19   17   12 o  192.732   9.0829 15131.29  1421.39 17197.56  2827.46 14432.52  1644.26  203.879   17.242  187.788   10.830 16.09128 20.36052 
1 1 1  -19   17   13 o  278.686   12.718 31773.63  2877.81 28115.77  5334.64 33275.06  3417.77  257.942   25.818  284.426   14.851 -26.48410 29.78407 
1 1 1  -19   17   14 o   24.570   10.489 -10.2531  369.893  1376.97  1221.24 -150.3691  388.124   60.063   20.678   23.094   10.278 36.96846 23.09121 
1 1 1  -19   17   15 o   64.848   10.340  1763.24  526.183  3373.41  1497.59  1536.47  562.016   87.929   21.219   60.158   11.927 27.77071 24.34139 
1 1 1  -19   17   16 o  192.186   10.329 15216.50  1605.86 14600.41  3158.75 15431.23  1864.82  183.855   21.569  193.068   11.954 -9.213287 24.66040 
1 1 1  -19   17   17 o  214.878   11.205 19152.10  1948.26 19644.33  4064.07 19005.23  2219.98  209.719   24.318  213.329   12.877 -3.609146 27.51635 
1 1 1  -19   17   18 o   45.162   14.287  854.131  586.917  3355.37  1857.61  576.751  618.605   84.676   25.171   40.213   14.630 44.46344 29.11406 
1 1 1  -19   17   19 o   25.671   11.703 -314.7639  539.295 -966.7281  1920.41 -258.9474  561.907   47.146   21.712   26.902   12.137 20.24372 24.87417 
1 1 1  -19   17   20 o   94.146   13.432  3858.15  997.659  6289.86  2962.09  3546.99  1059.57  106.440   31.818   89.418   15.134 17.02220 35.23370 
1 1 1  -19   17   21 o  191.065   12.417 15764.09  1915.94 15580.10  4515.29 15804.49  2115.86  159.115   35.813  189.980   13.811 -30.86540 38.38417 
1 1 1  -19   17   22 o   80.998   15.641  3064.44  991.412  896.529  3011.94  3327.87  1049.92   60.832   27.703   84.294   15.923 -23.46231 31.95321 
1 1 1  -19   17   23 o   44.893   20.211  227.070  1548.63   0.0000   0.0000  227.070  1548.63  ?   ?    44.893   20.211 0.000000 20.21076 
1 1 1  -19   17   24 o   58.863   22.642  2315.91  1524.08   0.0000   0.0000  2315.91  1524.08  ?   ?    58.863   22.642 0.000000 22.64167 
1 1 1  -19   19    1 o  653.011   47.876 181821.00 25208.13   0.0000   0.0000 181821.00 25208.13  ?   ?   653.011   47.876 0.000000 47.87617 
1 1 1  -19   19    2 o  325.870   17.984 43524.71  4740.04   0.0000   0.0000 43524.71  4740.04  ?   ?   325.870   17.984 0.000000 17.98387 
1 1 1  -19   19    3 o  415.522   21.341 70946.95  7176.01   0.0000   0.0000 70946.95  7176.01  ?   ?   415.522   21.341 0.000000 21.34120 
1 1 1  -19   19    4 o  378.788   28.270 59580.39  8632.03   0.0000   0.0000 59580.39  8632.03  ?   ?   378.788   28.270 0.000000 28.26955 
1 1 1  -19   19    5 o  175.322   11.995 12578.55  1697.31 16524.32  2635.08  9780.67  2218.93  200.477   16.330  153.587   18.143 46.89001 24.40998 
1 1 1  -19   19    6 o  367.912   19.111 55595.16  5689.45 60132.13  8230.74 51443.63  7873.35  380.597   26.805  351.588   27.806 29.00919 38.62271 
1 1 1  -19   19    7 o  153.102   11.488  9603.15  1417.68 11670.03  2228.22  8197.47  1837.57  168.137   16.535  140.660   16.397 27.47694 23.28676 
1 1 1  -19   19    8 o  364.706   28.455 55592.35  8359.65 55592.35  8359.65   0.0000   0.0000  364.706   28.455  ?   ?  0.000000 28.45495 
1 1 1  -19   19    9 o   69.003   12.880  2005.75  695.107  946.179  1174.35  2577.18  862.410   54.264   20.090   78.247   14.092 -23.98267 24.53960 
1 1 1  -19   19   10 o  441.067   17.869 79906.02  6399.63 78424.83 11477.75 80574.23  7709.19  429.808   33.144  441.766   21.492 -11.95767 39.50259 
1 1 1  -19   19   11 o  573.000   24.350 136591.59 11329.10 129581.60 20043.76 139882.50 13733.23  540.033   46.154  575.981   29.463 -35.94861 54.75682 
1 1 1  -19   19   12 o  208.369   10.375 17717.95  1755.30 16644.99  3504.29 18077.31  2028.06  199.040   22.054  209.963   11.945 -10.92313 25.08111 
1 1 1  -19   19   13 o  219.452   11.319 19749.53  2010.06 16382.73  3933.53 20939.40  2338.42  195.802   25.336  225.671   12.815 -29.86842 28.39211 
1 1 1  -19   19   14 o  271.252   12.526 30233.43  2758.80 29406.88  5294.44 30541.50  3232.30  261.748   25.224  271.638   14.710 -9.890228 29.19947 
1 1 1  -19   19   15 o   17.722   8.6149 -685.8475  393.054 -1973.8760  1257.89 -546.4802  413.773   32.349   15.651   19.594   9.3470 12.75443 18.22956 
1 1 1  -19   19   16 o  109.491   9.4860  4966.02  835.000  2882.83  2363.27  5263.18  892.570   81.858   28.731  112.655   9.8570 -30.79717 30.37531 
1 1 1  -19   19   17 o  125.535   9.4806  6538.25  959.226  8163.39  2406.15  6231.16  1045.93  134.127   22.917  122.190   10.649 11.93668 25.26995 
1 1 1  -19   19   18 o   39.023   14.271  542.019  589.648 -787.9218  1829.56  696.172  622.884   47.041   21.488   42.277   14.755 4.763947 26.06611 
1 1 1  -19   19   19 o  110.512   12.000  5212.61  1059.48  3165.44  2704.27  5583.81  1151.54   80.507   30.351  114.123   12.639 -33.61514 32.87714 
1 1 1  -19   19   20 o   40.494   15.857  511.199  757.977  1523.34  2555.91  413.601  793.681   65.796   27.809   39.717   16.003 26.07951 32.08469 
1 1 1  -19   19   21 o   38.784   15.793  395.185  782.232 -6494.3652  3456.90  766.990  803.062   44.691   22.385   44.214   16.565 0.4764633 27.84736 
1 1 1  -19   19   22 o   45.698   19.449  585.112  1264.80   0.0000   0.0000  585.112  1264.80  ?   ?    45.698   19.449 0.000000 19.44899 
1 1 1  -19   19   23 o   75.165   24.135  3688.93  1670.01   0.0000   0.0000  3688.93  1670.01  ?   ?    75.165   24.135 0.000000 24.13452 
1 1 1  -19   21    1 o  467.378   24.012 90112.90  9081.55   0.0000   0.0000 90112.90  9081.55  ?   ?   467.378   24.012 0.000000 24.01170 
1 1 1  -19   21    2 o  297.246   17.958 36277.55  4314.00 37235.45  6133.18 35339.56  6069.15  299.492   25.463  291.602   25.903 7.890686 36.32201 
1 1 1  -19   21    3 o  357.099   20.263 52461.88  5851.17 50125.65  8224.24 54856.47  8326.32  346.475   29.515  362.897   28.486 -16.42188 41.01970 
1 1 1  -19   21    4 o  368.269   20.767 55847.88  6184.37 52638.66  8608.66 59270.41  8890.17  354.715   30.176  376.852   29.284 -22.13663 42.04913 
1 1 1  -19   21    8 o  397.447   29.740 66456.25  9528.00   0.0000   0.0000 66456.25  9528.00  ?   ?   397.447   29.740 0.000000 29.74023 
1 1 1  -19   21    9 o  119.055   15.545  5904.18  1466.81   0.0000   0.0000  5904.18  1466.81  ?   ?   119.055   15.545 0.000000 15.54450 
1 1 1  -19   21   10 o  467.232   34.876 93774.64 13135.77   0.0000   0.0000 93774.64 13135.77  ?   ?   467.232   34.876 0.000000 34.87599 
1 1 1  -19   21   11 o  538.431   26.783 121960.20 11709.22   0.0000   0.0000 121960.20 11709.22  ?   ?   538.431   26.783 0.000000 26.78301 
1 1 1  -19   21   12 o  255.974   12.147 26843.23  2524.73 24894.63  5040.75 27495.76  2916.99  241.365   26.138  258.331   13.958 -16.96585 29.63178 
1 1 1  -19   21   13 o  151.116   9.3616  9372.01  1143.02  8616.67  2804.81  9522.44  1251.67  140.135   25.593  152.179   10.189 -12.04375 27.54664 
1 1 1  -19   21   14 o  318.811   14.465 42217.66  3744.34 43924.58  7270.19 41601.43  4368.24  313.857   28.851  314.610   17.165 -0.7536011 33.57128 
1 1 1  -19   21   15 o  126.011   9.2993  6561.15  944.752  4637.72  2538.05  6870.52  1017.90   99.396   29.393  128.840   9.8036 -29.44398 30.98502 
1 1 1  -19   21   16 o   29.733   12.246  126.213  477.033 -364.9954  2283.26  148.633  487.798   55.878   24.893   30.372   12.431 25.50659 27.82471 
1 1 1  -19   21   17 f  317.675   15.230 43068.13  3928.47 41072.23  7663.72 43779.51  4575.31  283.463   33.974  317.031   17.846 -33.56796 38.37599 
1 1 1  -19   21   18 o  141.197   11.410  8427.51  1296.99  7502.83  3511.78  8573.56  1395.67  115.389   34.679  142.014   12.223 -26.62486 36.77009 
1 1 1  -19   21   19 o   98.036   12.155  4148.11  946.778  1972.17  3299.50  4343.34  988.341   72.539   31.156  100.222   12.411 -27.68279 33.53659 
1 1 1  -19   21   20 o  196.459   12.335 16742.22  1957.60 22535.67  4954.71 15670.57  2130.97  196.322   32.199  188.284   14.040 8.038086 35.12658 
1 1 1  -19   21   21 o   60.506   22.961  1872.42  1554.27  7344.35  3746.59  734.943  1708.19   93.844   35.641   51.272   22.220 42.57278 41.99962 
1 1 1  -19   21   22 o   93.544   26.519  5728.85  2106.68   0.0000   0.0000  5728.85  2106.68  ?   ?    93.544   26.519 0.000000 26.51903 
1 1 1  -19   21   23 o   38.536   18.420 -546.7759  1624.14   0.0000   0.0000 -546.7759  1624.14  ?   ?    38.536   18.420 0.000000 18.42008 
1 1 1  -19   23    1 o  212.445   15.116 18534.33  2590.50   0.0000   0.0000 18534.33  2590.50  ?   ?   212.445   15.116 0.000000 15.11615 
1 1 1  -19   23    2 o  267.304   13.768 29244.89  2978.01 30828.54  5431.11 28564.04  3561.08  272.044   24.862  263.657   16.721 8.387115 29.96183 
1 1 1  -19   23    3 o  247.819   13.309 25137.73  2668.21 27713.75  4809.09 23992.09  3207.11  258.193   23.187  241.564   16.449 16.62865 28.42851 
1 1 1  -19   23    4 o  157.876   12.048 10223.99  1532.71 10325.25  2800.78 10180.70  1831.26  156.666   22.677  157.177   14.513 -0.5108643 26.92343 
1 1 1  -19   23    5 o  541.457   42.041 126690.10 18338.38 126690.10 18338.38   0.0000   0.0000  541.457   42.041  ?   ?  0.000000 42.04139 
1 1 1  -19   23    6 o  391.758   20.482 63411.53  6492.59 72938.05  9498.30 55056.44  8895.16  417.064   28.214  361.054   30.631 56.00940 41.64481 
1 1 1  -19   23    7 o  252.704   15.859 26279.53  3237.66 27048.87  4950.17 25704.39  4280.07  254.140   24.284  248.542   21.418 5.598282 32.37987 
1 1 1  -19   23    8 o  152.669   23.124  9879.94  2776.78  9879.94  2776.78   0.0000   0.0000  152.669   23.124  ?   ?  0.000000 23.12424 
1 1 1  -19   23    9 o  236.936   24.261 23654.61  4601.59 23654.61  4601.59   0.0000   0.0000  236.936   24.261  ?   ?  0.000000 24.26087 
1 1 1  -19   23   10 o   66.600   25.294  1372.67  1887.11  1372.67  1887.11   0.0000   0.0000   66.600   25.294  ?   ?  0.000000 25.29432 
1 1 1  -19   23   11 o   83.466   9.2080  2878.81  613.650  3092.00  1843.21  2852.24  650.775   84.652   25.053   82.969   9.8526 1.683006 26.92045 
1 1 1  -19   23   12 o  204.572   15.985 17481.46  2634.17   0.0000   0.0000 17481.46  2634.17  ?   ?   204.572   15.985 0.000000 15.98541 
1 1 1  -19   23   13 o  113.758   12.272  5405.79  1115.60   0.0000   0.0000  5405.79  1115.60  ?   ?   113.758   12.272 0.000000 12.27216 
1 1 1  -19   23   14 o   14.891   7.4681 -1129.6150  390.707   0.0000   0.0000 -1129.6150  390.707  ?   ?    14.891   7.4681 0.000000 7.468082 
1 1 1  -19   23   15 o  262.718   21.099 30425.79  4462.93   0.0000   0.0000 30425.79  4462.93  ?   ?   262.718   21.099 0.000000 21.09945 
1 1 1  -19   23   16 f  177.252   16.196 13581.46  2305.27   0.0000   0.0000 13581.46  2305.27  ?   ?   177.252   16.196 0.000000 16.19641 
1 1 1  -19   23   17 o   49.667   17.511  996.876  878.615   0.0000   0.0000  996.876  878.615  ?   ?    49.667   17.511 0.000000 17.51148 
1 1 1  -19   23   18 o   45.488   16.983  769.864  842.693   0.0000   0.0000  769.864  842.693  ?   ?    45.488   16.983 0.000000 16.98283 
1 1 1  -19   23   19 o   70.370   18.538  2375.18  1073.97   0.0000   0.0000  2375.18  1073.97  ?   ?    70.370   18.538 0.000000 18.53770 
1 1 1  -19   23   20 o   53.613   19.465  1341.81  1094.22   0.0000   0.0000  1341.81  1094.22  ?   ?    53.613   19.465 0.000000 19.46523 
1 1 1  -19   25    1 o  428.120   34.494 77979.85 11889.13   0.0000   0.0000 77979.85 11889.13  ?   ?   428.120   34.494 0.000000 34.49426 
1 1 1  -19   25    2 o  211.917   25.269 18896.97  4262.32   0.0000   0.0000 18896.97  4262.32  ?   ?   211.917   25.269 0.000000 25.26928 
1 1 1  -19   25    3 o  386.850   23.028 62167.71  7200.72 61117.24 10252.37 63190.36 10115.70  378.729   33.691  385.711   32.605 -6.981537 46.88475 
1 1 1  -19   25    4 o  197.556   12.838 16013.06  2048.21 23042.29  3797.42 13129.13  2432.35  235.579   20.043  178.036   17.034 57.54324 26.30339 
1 1 1  -19   25    5 o  614.056   24.961 157035.41 12445.20 185343.30 21756.83 143268.50 15172.55  651.965   41.313  580.838   32.299 71.12738 52.43991 
1 1 1  -19   25    6 o  654.890   33.431 183208.70 17717.65 196596.09 25486.53 170688.09 24647.62  661.780   47.751  613.819   49.885 47.96149 69.05579 
1 1 1  -19   25    7 o  134.179   14.471  7467.75  1551.63  8755.72  2690.06  6825.60  1899.45  143.054   24.010  127.221   18.968 15.83216 30.59813 
1 1 1  -19   25    8 o   43.702   16.735  540.575  830.356 -2273.2849  1908.61  1197.51  922.205   42.808   20.322   54.841   17.960 -12.03238 27.12095 
1 1 1  -19   25    9 o  358.105   20.076 53624.10  5813.85 58685.75  8757.09 49634.73  7774.39  368.608   29.506  339.548   28.461 29.06070 40.99570 
1 1 1  -19   25   10 o  180.780   15.000 13605.56  2181.99 11941.17  3687.61 14502.24  2706.67  163.980   28.744  185.628   18.192 -21.64702 34.01671 
1 1 1  -19   25   11 o   83.567   8.6028  2886.89  575.392  604.470  2295.53  3039.91  594.366   63.609   26.587   85.767   8.6531 -22.15807 27.95961 
1 1 1  -19   25   12 o   46.379   10.684  921.080  394.064 -2893.6960  2238.69  1043.06  400.315   44.539   21.379   49.450   10.304 -4.911335 23.73235 
1 1 1  -19   25   13 o  201.443   11.091 16843.31  1807.08 13371.74  4377.11 17556.59  1984.06  165.313   33.751  205.317   11.953 -40.00450 35.80514 
1 1 1  -19   25   14 o   89.601   9.5955  3351.71  687.245  5413.86  2770.08  3216.45  709.424  104.667   30.638   87.607   10.162 17.06026 32.27951 
1 1 1  -19   25   15 o   72.605   10.731  2238.82  613.539  2768.20  2378.18  2201.08  635.036   78.313   28.656   71.825   11.259 6.487961 30.78869 
1 1 1  -19   25   16 o   94.231   10.406  3751.01  782.882  8957.34  3185.78  3416.40  807.648  131.178   30.489   89.548   11.364 41.63016 32.53829 
1 1 1  -19   25   17 o   91.717   11.265  3603.30  821.247  933.721  3425.16  3766.14  845.923   68.297   30.453   93.759   11.342 -25.46174 32.49635 
1 1 1  -19   25   18 o  136.437   11.629  8021.41  1276.00  5882.26  4430.08  8214.93  1332.46   90.682   37.330  137.808   12.029 -47.12623 39.22031 
1 1 1  -19   25   19 o  105.589   12.509  4944.67  1051.61  8205.02  4662.47  4769.92  1079.43   94.226   38.485  103.222   13.180 -8.995888 40.67949 
1 1 1  -19   25   20 o   59.129   21.063  1894.34  1274.29  3786.40  4231.46  1705.64  1336.32   68.479   31.780   56.785   21.350 11.69347 38.28554 
1 1 1  -19   25   21 o   40.232   18.623 -64.5647  1439.50   0.0000   0.0000 -64.5647  1439.50  ?   ?    40.232   18.623 0.000000 18.62342 
1 1 1  -19   27    1 o   85.675   20.458  3156.08  1403.55   0.0000   0.0000  3156.08  1403.55  ?   ?    85.675   20.458 0.000000 20.45819 
1 1 1  -19   27    2 o  368.862   21.679 56639.27  6464.47   0.0000   0.0000 56639.27  6464.47  ?   ?   368.862   21.679 0.000000 21.67926 
1 1 1  -19   27    3 o  352.901   17.765 51467.42  5074.22 51010.25  9336.37 51659.08  6044.93  343.516   33.916  352.237   21.235 -8.721527 40.01499 
1 1 1  -19   27    4 o  254.681   15.201 26742.26  3129.16 28396.70  5847.99 26078.54  3704.02  257.730   28.417  250.621   18.329 7.108490 33.81569 
1 1 1  -19   27    5 o  132.608   14.627  7310.51  1548.74  7445.98  3096.17  7265.31  1788.58  129.737   29.992  131.626   17.142 -1.888824 34.54472 
1 1 1  -19   27    6 o  215.593   14.738 19217.58  2564.57 19735.81  4813.23 19012.14  3030.57  213.436   28.484  213.605   17.631 -0.1695251 33.49942 
1 1 1  -19   27    7 o   44.030   17.597  417.181  951.189 -518.9576  2079.39  664.900  1069.66   54.165   23.962   48.947   18.929 5.217476 30.53640 
1 1 1  -19   27    8 f  258.479   17.702 27995.96  3692.83 28895.60  5912.90 27420.67  4728.36  256.196   28.931  252.969   23.281 3.227173 37.13527 
1 1 1  -19   27    9 o  256.097   17.382 27594.20  3592.95 31675.29  5894.37 25181.31  4532.29  267.702   27.509  241.173   23.441 26.52927 36.14132 
1 1 1  -19   27   10 o  261.193   18.152 28972.99  3825.74 28868.36  6241.48 29035.96  4841.99  250.265   31.407  257.810   23.385 -7.545395 39.15648 
1 1 1  -19   27   11 o  243.021   17.750 25212.47  3478.35 24156.39  5759.92 25818.66  4363.92  225.789   32.342  242.486   22.418 -16.69699 39.35153 
1 1 1  -19   27   12 f  171.943   10.189 12258.62  1416.13 12364.25  3958.49 12243.12  1516.49  159.492   31.684  171.560   10.943 -12.06822 33.52049 
1 1 1  -19   27   13 o   54.074   10.913  1256.79  462.633  1922.87  2799.55  1238.09  469.082   74.419   30.031   53.613   11.139 20.80605 32.03062 
1 1 1  -19   27   14 o  189.628   10.830 15049.84  1660.58 17052.55  4725.72 14767.72  1773.70  181.411   33.310  187.360   11.718 -5.949387 35.31086 
1 1 1  -19   27   15 o  111.403   10.086  5221.31  902.432  3084.70  3758.49  5352.02  929.627   82.534   34.218  112.729   10.269 -30.19437 35.72540 
1 1 1  -19   27   16 o   25.162   11.169 -128.4462  455.565  1944.33  2764.98 -186.2853  461.877   70.012   29.214   24.634   11.069 45.37846 31.24063 
1 1 1  -19   27   17 o   71.921   12.802  2296.66  720.180  5120.42  4002.87  2202.20  732.127   86.998   35.610   70.146   13.342 16.85205 38.02777 
1 1 1  -19   27   18 o   21.735   10.455 -727.7255  541.815  1129.81  3265.55 -780.3091  549.430   62.476   28.602   21.580   10.417 40.89541 30.44005 
1 1 1  -19   27   19 o   31.919   14.980 -636.2206  983.982 -4430.0669  4494.71 -445.2436  1008.45   50.772   25.445   33.617   15.570 17.15548 29.83072 
1 1 1  -19   27   20 o   71.811   25.398  3717.39  1849.56   0.0000   0.0000  3717.39  1849.56  ?   ?    71.811   25.398 0.000000 25.39772 
1 1 1  -19   29    1 o  260.987   19.474 28549.36  4097.15   0.0000   0.0000 28549.36  4097.15  ?   ?   260.987   19.474 0.000000 19.47442 
1 1 1  -19   29    2 o  316.096   20.803 42027.52  5309.43   0.0000   0.0000 42027.52  5309.43  ?   ?   316.096   20.803 0.000000 20.80293 
1 1 1  -19   29    3 o  235.075   18.771 23187.96  3552.93   0.0000   0.0000 23187.96  3552.93  ?   ?   235.075   18.771 0.000000 18.77061 
1 1 1  -19   29    4 o   58.287   20.200  1304.73  1166.36  2402.74  2809.80  1076.14  1282.04   82.277   30.953   56.551   20.980 25.72606 37.39320 
1 1 1  -19   29    5 o  124.865   16.751  6601.16  1655.54  7741.99  3786.03  6331.45  1840.86  128.542   35.228  121.443   19.315 7.099152 40.17597 
1 1 1  -19   29    6 o  108.484   17.556  5043.96  1493.63  6023.48  3326.60  4796.63  1671.60  113.657   33.661  104.848   20.369 8.809509 39.34415 
1 1 1  -19   29    7 o  196.016   16.478 16198.95  2598.29 13718.32  5123.64 17057.75  3014.69  167.253   38.523  200.098   18.775 -32.84450 42.85410 
1 1 1  -19   29    8 f  254.161   18.640 27563.25  3819.86 30387.60  6373.00 25979.67  4772.06  256.255   31.278  242.460   24.579 13.79462 39.78030 
1 1 1  -19   29    9 o  180.307   17.117 13884.16  2475.97 15566.22  4567.15 13184.03  2946.55  180.561   32.339  173.327   21.391 7.234406 38.77362 
1 1 1  -19   29   10 o   57.714   19.089  1395.16  1040.83  1620.49  3122.29  1366.99  1103.98   75.684   31.267   57.714   19.666 17.96961 36.93724 
1 1 1  -19   29   11 o   63.004   20.595  1719.96  1212.80  3927.19  3247.81  1362.31  1307.37   91.206   33.471   58.890   21.293 32.31586 39.66967 
1 1 1  -19   29   12 o  163.187   11.043 11151.05  1454.59  6740.14  4699.51 11618.40  1529.71  108.778   40.205  166.426   11.389 -57.64854 41.78692 
1 1 1  -19   29   13 o   84.564   9.6319  3007.97  649.557  2251.57  3611.76  3033.26  660.324   78.528   33.116   84.886   9.7579 -6.357468 34.52401 
1 1 1  -19   29   14 o   99.014   9.6339  4127.05  764.718  141.082  3878.50  4288.28  780.031   68.494   31.287  100.945   9.6337 -32.45116 32.73642 
1 1 1  -19   29   15 o   83.419   10.672  2982.53  706.267 -1089.5460  3557.44  3149.62  720.612   60.254   28.343   85.798   10.567 -25.54427 30.24910 
1 1 1  -19   29   16 o   91.072   11.084  3592.43  802.749  4851.50  4755.21  3555.49  814.438   83.307   36.568   90.471   11.336 -7.163292 38.28517 
1 1 1  -19   29   17 o  154.659   11.466 10461.46  1429.59  9057.55  5292.76 10571.94  1484.78   91.731   39.431  155.070   11.883 -63.33854 41.18251 
1 1 1  -19   29   18 o   64.588   21.770  2375.22  1352.69  5110.70  4593.75  2115.51  1415.45   71.251   33.083   61.082   22.145 10.16890 39.81032 
1 1 1  -19   29   19 o   60.064   23.845  2467.29  1735.47   0.0000   0.0000  2467.29  1735.47  ?   ?    60.064   23.845 0.000000 23.84494 
1 1 1  -19   31    1 o  125.763   20.881  6893.24  2057.50   0.0000   0.0000  6893.24  2057.50  ?   ?   125.763   20.881 0.000000 20.88123 
1 1 1  -19   31    2 o  152.879   20.282 10093.64  2455.45   0.0000   0.0000 10093.64  2455.45  ?   ?   152.879   20.282 0.000000 20.28151 
1 1 1  -19   31    3 o  261.633   21.194 29480.28  4463.78   0.0000   0.0000 29480.28  4463.78  ?   ?   261.633   21.194 0.000000 21.19437 
1 1 1  -19   31    4 o  219.229   17.373 20385.05  3067.14 29141.48  6435.89 17811.92  3488.80  250.179   32.447  202.526   21.547 47.65291 38.94916 
1 1 1  -19   31    5 o  166.728   17.596 11879.45  2346.18 14491.91  5482.73 11293.83  2595.86  168.117   40.619  161.234   20.277 6.882751 45.39868 
1 1 1  -19   31    6 o  241.046   17.738 24805.99  3447.34 25452.63  6863.35 24587.81  3986.72  224.939   38.991  237.783   20.860 -12.84409 44.22013 
1 1 1  -19   31    7 o   93.481   21.559  3947.44  1603.01  7449.30  4102.39  3316.40  1741.46  120.058   37.747   85.096   24.106 34.96236 44.78820 
1 1 1  -19   31    8 o  128.313   19.554  7265.71  1972.89  7875.12  4677.99  7133.87  2175.85  120.312   40.484  125.782   22.112 -5.470131 46.12896 
1 1 1  -19   31    9 o  301.508   23.195 41002.84  5635.02 35678.51  9501.36 43891.73  6998.74  241.975   50.012  304.232   28.670 -62.25612 57.64702 
1 1 1  -19   31   10 o  217.351   20.027 21011.15  3494.58 20802.96  6698.00 21089.01  4096.30  186.383   44.811  213.824   24.009 -27.44171 50.83730 
1 1 1  -19   31   11 o  143.183   20.021  9278.97  2263.96  7095.42  5275.27  9771.94  2506.52  107.426   41.898  145.604   21.878 -38.17739 47.26620 
1 1 1  -19   31   12 o   24.679   10.013  113.255  313.023 -383.1943  4185.03  116.048  313.903   68.949   31.859   24.764   10.034 44.18546 33.40207 
1 1 1  -19   31   13 o   27.607   11.270  139.921  399.575 -924.6808  4397.25  148.785  401.235   66.712   31.421   27.808   11.316 38.90388 33.39637 
1 1 1  -19   31   14 o  102.391   9.6944  4450.23  796.378 -1215.6370  4394.25  4642.65  809.788   63.768   30.430  104.622   9.6410 -40.85457 31.92089 
1 1 1  -19   31   15 o   97.202   10.560  4081.79  820.060  6035.13  4568.40  4016.75  833.600   86.334   36.859   96.256   10.855 -9.922249 38.42390 
1 1 1  -19   31   16 o   67.515   23.775  2585.91  1619.14  3155.96  5425.16  2530.17  1696.46   69.833   33.456   66.633   24.230 3.199532 41.30881 
1 1 1  -19   31   17 o   80.798   25.142  4195.58  1825.23   37.177  5150.36  4792.85  1951.91   57.991   28.766   85.716   25.875 -27.72546 38.69141 
1 1 1  -19   31   18 o   52.612   21.411  1657.26  1436.47   0.0000   0.0000  1657.26  1436.47  ?   ?    52.612   21.411 0.000000 21.41058 
1 1 1  -19   33    1 o   48.894   21.328 -96.3021  1595.15   0.0000   0.0000 -96.3021  1595.15  ?   ?    48.894   21.328 0.000000 21.32805 
1 1 1  -19   33    2 o  151.214   23.043 10247.25  2739.81   0.0000   0.0000 10247.25  2739.81  ?   ?   151.214   23.043 0.000000 23.04309 
1 1 1  -19   33    3 o  181.856   21.441 14611.06  3105.09   0.0000   0.0000 14611.06  3105.09  ?   ?   181.856   21.441 0.000000 21.44059 
1 1 1  -19   33    4 o  142.477   23.743  9224.71  2650.14   0.0000   0.0000  9224.71  2650.14  ?   ?   142.477   23.743 0.000000 23.74350 
1 1 1  -19   33    5 f  178.564   20.459 14087.75  2912.82  6954.25  6735.82 15728.56  3230.49  113.127   46.237  187.960   21.557 -74.83346 51.01552 
1 1 1  -19   33    6 o  269.054   19.647 31776.29  4262.51 36970.74  8856.34 30210.26  4862.78  255.870   44.228  258.290   23.442 -2.420135 50.05656 
1 1 1  -19   33    7 o  141.730   21.361  9090.92  2381.92  8478.03  5766.37  9217.01  2615.49  117.767   44.335  141.151   23.658 -23.38439 50.25225 
1 1 1  -19   33    8 o   36.371   17.172 -1286.5510  1328.04  3922.54  4678.29 -1743.1071  1385.01   91.879   38.141   35.125   16.848 56.75368 41.69621 
1 1 1  -19   33    9 o   70.132   24.206  2248.31  1674.04 -1328.7610  5324.68  2640.66  1763.46   73.611   34.641   74.761   24.853 -1.150299 42.63448 
1 1 1  -19   33   10 o  209.952   22.777 20743.44  3820.61 16612.35  8061.08 21940.29  4338.90  135.523   52.085  212.142   25.715 -76.61916 58.08703 
1 1 1  -19   33   11 o   55.879   21.002  1265.27  1292.97 -4241.2490  5464.88  1591.79  1330.76   64.682   31.593   60.011   21.509 4.671726 38.22000 
1 1 1  -19   33   12 o  112.180   10.346  5359.25  931.719  5419.02  6396.52  5357.96  941.764   88.184   40.241  112.105   10.467 -23.92065 41.58044 
1 1 1  -19   33   13 o   40.800   11.649  737.758  405.028  4997.02  6070.59  718.713  405.932   82.160   38.107   40.316   11.708 41.84382 39.86452 
1 1 1  -19   33   14 o   56.196   12.075  1429.02  534.536 -3386.2080  6500.48  1461.80  536.353   62.303   31.130   56.888   11.990 5.415447 33.35942 
1 1 1  -19   33   15 o   75.998   25.993  3699.86  1928.73  4195.96  7223.63  3661.78  2001.39   68.347   33.931   74.950   26.429 -6.603378 43.00951 
1 1 1  -19   33   16 o   49.770   21.619  1087.67  1624.60 -7514.3579  7162.10  1554.29  1668.08   51.983   26.632   53.488   22.528 -1.505451 34.88295 
1 1 1  -19   35    1 o   85.076   27.719  3459.32  2197.64   0.0000   0.0000  3459.32  2197.64  ?   ?    85.076   27.719 0.000000 27.71853 
1 1 1  -19   35    2 o  105.029   27.847  5420.07  2413.37   0.0000   0.0000  5420.07  2413.37  ?   ?   105.029   27.847 0.000000 27.84684 
1 1 1  -19   35    3 o   43.392   20.002 -940.2514  1634.91   0.0000   0.0000 -940.2514  1634.91  ?   ?    43.392   20.002 0.000000 20.00187 
1 1 1  -19   35    4 o  139.477   27.135  9446.42  2962.48   0.0000   0.0000  9446.42  2962.48  ?   ?   139.477   27.135 0.000000 27.13530 
1 1 1  -19   35    5 o   93.613   28.467  4420.88  2356.13   0.0000   0.0000  4420.88  2356.13  ?   ?    93.613   28.467 0.000000 28.46680 
1 1 1  -19   35    6 o   47.892   21.263 -176.5205  1651.68  6242.91  5871.51 -728.1522  1721.18  101.285   42.442   45.440   20.789 55.84487 47.26010 
1 1 1  -19   35    7 o   73.478   26.569  2542.90  2035.60  8575.93  6467.48  1879.53  2144.59  108.340   44.899   67.854   26.643 40.48602 52.20867 
1 1 1  -19   35    8 f   92.155   27.176  4422.86  2172.23  2850.22  6813.29  4600.80  2291.83   86.470   40.196   93.391   28.004 -6.920700 48.98885 
1 1 1  -19   35    9 o   50.726   21.682  468.737  1584.11 -1988.3210  6670.93  615.570  1630.76   73.182   35.556   52.383   22.180 20.79904 41.90649 
1 1 1  -19   35   10 f   55.047   23.269  853.570  1790.04  1892.35  7295.08  787.018  1846.49   79.315   38.204   55.019   23.460 24.29575 44.83192 
1 1 1  -19   35   11 o   53.574   21.939  1038.97  1520.24  351.320  7524.89  1068.23  1552.25   73.400   36.100   54.073   22.159 19.32660 42.35837 
1 1 1  -19   35   12 o  101.604   28.459  6319.68  2441.36 16805.08  8600.28  5400.69  2546.10   96.499   44.959   90.986   29.845 5.512802 53.96275 
1 1 1  -19   35   13 o   88.879   29.190  5458.81  2435.43  5892.98  8912.64  5423.77  2531.78   70.970   35.604   87.297   29.781 -16.32738 46.41691 
1 1 1  -19   35   14 o   43.148   19.619  156.033  1503.15  2961.40  8796.70   71.656  1525.59   62.465   31.785   42.829   19.586 19.63597 37.33504 
1 1 1  -19   37    1 o   75.467   29.650  2581.09  2657.47   0.0000   0.0000  2581.09  2657.47  ?   ?    75.467   29.650 0.000000 29.64983 
1 1 1  -19   37    2 o  196.873   27.786 19500.28  4318.24   0.0000   0.0000 19500.28  4318.24  ?   ?   196.873   27.786 0.000000 27.78601 
1 1 1  -19   37    3 o  168.141   30.190 14850.08  3970.21   0.0000   0.0000 14850.08  3970.21  ?   ?   168.141   30.190 0.000000 30.19001 
1 1 1  -19   37    4 o   84.342   30.529  3821.05  2688.70   0.0000   0.0000  3821.05  2688.70  ?   ?    84.342   30.529 0.000000 30.52926 
1 1 1  -19   37    5 o   93.018   30.830  4895.43  2714.41   0.0000   0.0000  4895.43  2714.41  ?   ?    93.018   30.830 0.000000 30.82992 
1 1 1  -19   37    6 o  170.135   30.477 15892.20  4055.55   0.0000   0.0000 15892.20  4055.55  ?   ?   170.135   30.477 0.000000 30.47671 
1 1 1  -19   37    7 o  152.524   29.980 12999.51  3580.51 11092.40 10419.11 13254.88  3812.71   94.701   45.626  150.901   32.104 -56.20046 55.78858 
1 1 1  -19   37    8 o  191.720   28.385 20377.82  4285.09 26506.96 11643.81 19417.69  4608.51  111.705   52.133  179.428   32.843 -67.72267 61.61589 
1 1 1  -19   37    9 o   73.927   28.695  3283.00  2465.27  1402.67  9317.76  3424.53  2556.36   74.027   37.031   74.862   29.175 -0.8346786 47.14302 
1 1 1  -19   37   10 o   43.127   20.315 -838.7316  1839.08 -8361.1426  9351.93 -536.1227  1875.70   62.408   31.848   44.940   20.957 17.46852 38.12472 
1 1 1  -19   37   11 o   41.825   19.845 -877.0773  1815.58 -7156.9341 10284.93 -675.0900  1844.54   61.002   31.298   43.017   20.288 17.98512 37.29844 
1 1 1  -19   37   12 o   35.203   17.145 -1638.2570  1577.35 -23213.8008 10537.99 -1143.7820  1595.32   51.605   26.689   37.362   17.964 14.24211 32.17163 
1 1 1  -19   39    1 o   73.039   31.281  2673.63  3309.10   0.0000   0.0000  2673.63  3309.10  ?   ?    73.039   31.281 0.000000 31.28103 
1 1 1  -19   39    2 o   93.796   34.921  6113.46  3558.12   0.0000   0.0000  6113.46  3558.12  ?   ?    93.796   34.921 0.000000 34.92078 
1 1 1  -19   39    3 o   88.145   35.488  5640.10  3899.48   0.0000   0.0000  5640.10  3899.48  ?   ?    88.145   35.488 0.000000 35.48768 
1 1 1  -19   39    4 o   92.662   35.441  6434.33  3721.27   0.0000   0.0000  6434.33  3721.27  ?   ?    92.662   35.441 0.000000 35.44148 
1 1 1  -19   39    5 o   57.516   26.509  307.146  2870.65   0.0000   0.0000  307.146  2870.65  ?   ?    57.516   26.509 0.000000 26.50943 
1 1 1  -19   39    6 o   36.217   18.009 -3737.5530  2067.20   0.0000   0.0000 -3737.5530  2067.20  ?   ?    36.217   18.009 0.000000 18.00907 
1 1 1  -19   39    7 f   62.558   27.975  1881.81  2913.08 11275.71 12578.88  1349.44  2994.49   75.787   38.508   60.319   27.529 15.46832 47.33621 
1 1 1  -19   39    8 f   78.417   31.836  5166.61  3166.70 -4789.8721 12972.48  5797.51  3265.49   64.185   33.030   81.792   32.633 -17.60701 46.43201 
1 1 1  -19   39    9 o   74.280   31.155  5042.79  3168.52 14058.54 13525.19  4519.26  3259.22   67.920   34.905   70.873   30.703 -2.952927 46.48724 
1 1 1  -19   41    1 o   77.856   36.248  7348.28  5574.82   0.0000   0.0000  7348.28  5574.82  ?   ?    77.856   36.248 0.000000 36.24756 
1 1 1  -19   41    2 o   66.024   31.416  2838.23  4612.73   0.0000   0.0000  2838.23  4612.73  ?   ?    66.024   31.416 0.000000 31.41554 
1 1 1  -19   41    3 o   50.212   24.644 -1925.3149  3449.04   0.0000   0.0000 -1925.3149  3449.04  ?   ?    50.212   24.644 0.000000 24.64410 
1 1 1  -19   41    4 o   73.758   32.949  5591.23  4029.88   0.0000   0.0000  5591.23  4029.88  ?   ?    73.758   32.949 0.000000 32.94916 
1 1 1  -19   41    5 o   51.134   24.886 -661.6913  3305.57   0.0000   0.0000 -661.6913  3305.57  ?   ?    51.134   24.886 0.000000 24.88609 
1 1 1  -18    0    2 o  454.509   32.001 85735.81 11675.30 85735.81 11675.30   0.0000   0.0000  454.509   32.001  454.509   32.001 0.000000 0.000000 
1 1 1  -18    0    3 o  321.380   16.256 42325.55  4217.12 46366.13  5946.30 38236.75  5981.68  335.258   22.063  303.334   24.661 -0.000000 0.000000 
1 1 1  -18    0    4 o  531.432   26.192 115919.90 11239.22 107038.20 15923.87 124736.80 15865.61  506.897   39.230  548.892   35.952 0.000000 0.000000 
1 1 1  -18    0    5 o  350.017   17.790 50191.55  5026.21 41692.21  7129.41 58590.18  7087.05  316.180   28.291  377.292   23.339 0.000000 0.000000 
1 1 1  -18    0    6 o  1003.62   70.153 422278.69 56526.86 422278.69 56526.86   0.0000   0.0000  1003.62   70.153  1003.62   70.153 0.000000 0.000000 
1 1 1  -18    0    7 o  948.900   46.036 370653.31 35278.92 398761.69 49876.69 342510.59 49907.19  978.661   63.376  903.903   68.920 -0.000000 0.000000 
1 1 1  -18    0    8 o   51.334   12.196  1234.77  441.227   0.0000   0.0000  1234.77  441.227   51.334   12.196   51.334   12.196 0.000000 0.000000 
1 1 1  -18    0    9 f   37.407   10.860  694.459  286.296  509.442  502.887  783.179  348.238   29.520   15.633   39.077   12.459 0.000000 0.000000 
1 1 1  -18    0   10 o  1007.92   48.374 418927.09 39381.56 453075.19 55718.07 384838.09 55669.83  1041.54   66.506  956.148   72.671 0.000000 0.000000 
1 1 1  -18    0   11 o  261.766   13.534 28070.12  2859.08 18891.71  4003.14 37626.83  4084.80  211.356   24.140  302.816   16.730 -0.000000 0.000000 
1 1 1  -18    0   12 o  307.420   22.906 39170.93  5644.74 39170.93  5644.74   0.0000   0.0000  307.420   22.906  307.420   22.906 0.000000 0.000000 
1 1 1  -18    0   13 o  149.444   9.7111  9190.13  1166.96  9948.34  1669.76  8466.22  1631.57  154.644   13.536  142.087   14.487 0.000000 0.000000 
1 1 1  -18    0   14 o   50.433   13.061  1220.47  462.220  1545.74  754.539  1025.09  584.789   53.724   19.017   42.517   17.274 0.000000 0.000000 
1 1 1  -18    0   15 o  121.350   9.2805  6089.78  902.131  5962.95  1230.25  6237.30  1326.83  118.927   13.151  121.462   13.928 -0.000000 0.000000 
1 1 1  -18    0   16 o  187.262   11.472 14427.09  1729.37 16270.42  2402.82 12446.02  2490.98  198.109   15.141  171.747   18.395 -0.000000 0.000000 
1 1 1  -18    0   17 o  320.231   16.863 42210.99  4356.81 44560.35  6093.12 39753.20  6232.15  327.155   23.206  307.954   25.317 -0.000000 0.000000 
1 1 1  -18    0   18 o  236.413   13.399 23012.05  2553.09 22593.87  3727.53 23381.59  3504.04  232.176   20.120  236.846   18.479 0.000000 0.000000 
1 1 1  -18    0   19 o  128.110   10.858  6834.60  1110.81  5972.15  1372.39  8472.86  1891.49  118.080   14.969  140.662   17.257 -0.000000 0.000000 
1 1 1  -18    0   20 o  178.059   11.735 13135.41  1679.71 14716.12  2638.31 12057.94  2178.22  186.327   17.813  168.871   16.230 0.000000 0.000000 
1 1 1  -18    0   21 o  350.194   17.757 51302.30  5019.61 62059.45  7323.99 41773.46  6893.18  381.085   23.884  308.712   28.031 0.000000 0.000000 
1 1 1  -18    0   22 o   10.107   7.4802 -1701.4200  493.538 -5061.8408  1774.25 -1419.5940  513.817   20.508   15.096   11.290   8.2933 0.000000 0.000000 
1 1 1  -18    0   23 o   24.361   15.190  168.869  611.297 -2443.1489  2096.48  411.580  639.068   29.521   20.927   28.374   16.599 0.000000 0.000000 
1 1 1  -18    0   24 o  104.164   12.845  4704.65  1042.07  348.816  2600.47  5537.92  1137.39   44.932   29.294  113.393   12.770 0.000000 0.000000 
1 1 1  -18    0   25 o  120.596   15.134  6434.71  1418.66   0.0000   0.0000  6434.71  1418.66  120.596   15.134  120.596   15.134 0.000000 0.000000 
1 1 1  -18    0   26 o   19.905   13.846 -618.6537  795.515   0.0000   0.0000 -618.6537  795.515   19.905   13.846   19.905   13.846 0.000000 0.000000 
1 1 1  -18    2    2 o  664.137   46.698 185506.09 25022.27 185506.09 25022.27   0.0000   0.0000  664.137   46.698  ?   ?  0.000000 46.69843 
1 1 1  -18    2    3 o  310.969   15.736 39484.56  3960.44 37743.52  5613.71 41209.80  5588.19  303.022   22.987  316.886   21.852 -13.86423 31.71625 
1 1 1  -18    2    4 f  737.438   35.661 223838.50 21353.10 219150.50 30233.54 228504.41 30162.28  722.497   51.882  738.405   50.613 -15.90833 72.48028 
1 1 1  -18    2    5 o  127.798   5.5602  6632.52  576.968  5774.61  812.273  7506.18  819.690  118.925   8.4672  135.734   7.4661 -16.80966 11.28874 
1 1 1  -18    2    6 f  227.295   8.4611 20986.00  1561.54 21391.02  2200.67 20575.29  2216.11  229.109   11.870  224.662   12.194 4.447327 17.01778 
1 1 1  -18    2    7 o  394.153   13.552 63153.55  4337.27 60630.19  6126.25 65689.45  6141.43  385.428   19.641  401.748   18.827 -16.31976 27.20674 
1 1 1  -18    2    8 o  293.108   14.950 35020.53  3546.18 37154.44  4992.20 32847.10  5038.23  301.411   20.520  283.141   22.090 18.27048 30.15022 
1 1 1  -18    2    9 o  757.127   25.434 233770.70 15636.02 236711.00 22105.80 230826.70 22119.54  760.207   35.813  750.609   36.293 9.597656 50.98755 
1 1 1  -18    2   10 o  554.269   18.633 125107.60  8385.85 123565.20 11852.33 126653.80 11866.45  549.975   26.541  556.844   26.245 -6.869446 37.32626 
1 1 1  -18    2   11 o  533.438   17.947 116037.20  7773.50 119189.30 10986.89 112877.70 10999.90  539.501   25.081  524.890   25.810 14.61151 35.98879 
1 1 1  -18    2   12 o  624.554   30.540 161363.50 15487.19 164963.59 21899.37 157761.50 21905.02  624.218   43.479  609.758   44.552 14.45941 62.25154 
1 1 1  -18    2   13 o  506.856   17.345 105083.30  7138.41 104646.20 10089.27 105521.30 10101.22  503.883   24.660  506.008   24.585 -2.125397 34.82178 
1 1 1  -18    2   14 o  518.498   17.671 110141.90  7439.67 106403.60 10515.53 113888.40 10527.03  506.479   25.654  524.982   24.696 -18.50327 35.60894 
1 1 1  -18    2   15 o  184.241   7.5760 13808.65  1133.35 14426.67  1597.69 13182.68  1607.94  187.854   10.517  179.474   11.088 8.380432 15.28240 
1 1 1  -18    2   16 o  328.301   11.932 44019.81  3180.76 45060.70  4493.78 42974.76  4502.78  330.785   16.786  322.894   17.237 7.891510 24.06000 
1 1 1  -18    2   17 o  419.674   14.827 72311.52  5052.61 73903.51  7142.02 70716.45  7148.93  421.975   20.845  412.000   21.444 9.975037 29.90570 
1 1 1  -18    2   18 o  132.173   7.0129  7135.93  749.935  7518.55  1041.69  6724.26  1080.51  135.338   9.5405  127.797   10.506 7.541290 14.19139 
1 1 1  -18    2   19 o  127.098   7.6543  6621.33  786.231  6283.88  1116.82  6952.90  1107.04  123.105   11.299  129.698   10.605 -6.592834 15.49622 
1 1 1  -18    2   20 o  176.104   8.2590 12722.05  1180.96 13578.67  1685.46 11895.92  1655.21  180.704   11.548  168.872   12.153 11.83159 16.76403 
1 1 1  -18    2   21 o   59.176   9.8623  1486.35  457.198  1325.28  627.659  1668.42  667.313   55.007   14.014   61.812   13.660 -6.804699 19.56953 
1 1 1  -18    2   22 o   22.786   10.597 -402.1160  474.384 -655.3160  685.620 -169.5758  657.053   26.617   12.496   30.302   13.434 -3.684444 18.34718 
1 1 1  -18    2   23 o   61.793   11.147  1659.72  538.727  1746.33  729.349  1555.73  799.179   62.182   14.681   58.325   16.263 3.857777 21.90945 
1 1 1  -18    2   24 o   69.310   10.736  2092.98  584.638  1853.61  775.993  2407.22  889.109   63.137   15.298   71.951   15.663 -8.813641 21.89411 
1 1 1  -18    2   25 o   31.185   12.633  253.609  497.435 -248.8297  643.481  999.737  784.154   28.199   12.828   46.642   16.533 -18.44210 20.92560 
1 1 1  -18    2   26 o   37.837   13.920  633.636  562.210  232.492  780.766  1065.62  810.222   34.830   15.058   46.029   16.744 -11.19849 22.51908 
1 1 1  -18    4    2 o  356.170   17.635 51698.25  5099.93 51043.68  7203.76 52355.96  7221.04  352.306   25.352  356.878   25.079 -4.572021 35.66069 
1 1 1  -18    4    3 o  314.690   15.837 40417.54  4033.81 37072.16  5698.26 43778.00  5711.10  300.353   23.554  326.824   21.644 -26.47037 31.98828 
1 1 1  -18    4    4 o  680.836   32.785 190121.09 18124.04 187234.41 25626.68 193010.00 25635.86  670.389   47.384  680.963   46.646 -10.57361 66.49115 
1 1 1  -18    4    5 o  245.383   10.346 24467.17  2061.27 21335.29  3590.07 26007.35  2517.60  228.048   19.578  252.943   12.258 -24.89574 23.09904 
1 1 1  -18    4    6 o  688.253   27.175 193361.20 15186.20 167950.09 26320.47 206041.91 18593.15  635.026   51.490  709.673   32.267 -74.64667 60.76450 
1 1 1  -18    4    7 o  246.617   10.324 24709.54  2067.34 24242.29  2521.80 25667.07  3610.03  243.894   12.779  250.539   17.863 -6.645248 21.96308 
1 1 1  -18    4    8 o  281.590   12.073 32222.10  2760.38 41008.51  4722.92 27663.46  3401.91  316.938   18.432  260.314   16.175 56.62387 24.52293 
1 1 1  -18    4    9 o  1266.35   42.445 659536.50 43642.89 671447.31 61707.25 647615.69 61733.49  1269.68   59.855  1246.34   61.002 23.34485 85.46319 
1 1 1  -18    4   10 o  720.277   24.417 211842.20 14279.96 210596.20 20181.85 213091.41 20208.01  716.057   34.712  720.325   34.551 -4.268066 48.97599 
1 1 1  -18    4   11 o  280.109   9.8822 31900.90  2247.61 34322.85  3168.03 29446.37  3189.27  290.367   13.437  268.482   14.685 21.88486 19.90517 
1 1 1  -18    4   12 o  459.222   17.839 86201.86  6651.60 84877.54  8133.45 88876.23 11558.13  454.872   22.022  462.164   30.979 -7.292175 38.00887 
1 1 1  -18    4   13 o  327.264   11.756 43635.53  3124.01 44738.69  4402.27 42516.45  4433.93  330.824   16.389  321.978   17.020 8.846283 23.62792 
1 1 1  -18    4   14 o  211.074   8.2527 18124.46  1414.39 17946.52  1987.33 18307.10  2013.43  209.493   11.730  211.588   11.766 -2.095337 16.61443 
1 1 1  -18    4   15 o  652.961   22.383 176202.70 11866.86 177644.20 16766.54 174755.80 16798.05  649.831   31.776  644.290   32.110 5.541931 45.17506 
1 1 1  -18    4   16 o  176.604   7.6055 12693.94  1090.60 11977.21  1523.34 13447.58  1562.08  170.961   11.033  181.244   10.661 -10.28310 15.34244 
1 1 1  -18    4   17 o  145.847   7.2043  8659.50  853.153  9116.85  1186.40  8169.72  1227.74  149.151   9.8519  141.016   10.805 8.135208 14.62205 
1 1 1  -18    4   18 o  138.138   7.1189  7795.42  795.770  8723.95  1106.10  6799.16  1145.72  145.835   9.3909  128.383   11.100 17.45242 14.53968 
1 1 1  -18    4   19 o  188.763   8.2545 14573.06  1265.16 14013.05  1793.21 15128.12  1785.24  183.955   12.072  191.319   11.546 -7.363831 16.70510 
1 1 1  -18    4   20 o   56.963   9.9743  1375.44  444.523  861.424  592.534  2037.15  672.294   45.504   14.351   69.005   12.457 -23.50128 19.00377 
1 1 1  -18    4   21 o  146.744   7.8729  8880.55  934.638  8521.24  1276.85  9295.28  1371.81  142.641   11.112  148.881   11.435 -6.240189 15.94511 
1 1 1  -18    4   22 o  116.722   8.4901  5667.49  799.137  5061.91  1089.03  6374.03  1176.31  108.723   12.568  122.414   11.988 -13.69163 17.36872 
1 1 1  -18    4   23 o   85.335   8.8009  3066.67  601.052  3743.00  770.866  2017.90  959.930   93.778   10.293   65.780   17.619 27.99797 20.40518 
1 1 1  -18    4   24 o  210.608   9.7610 18816.98  1669.20 18548.18  2363.32 19084.55  2357.89  203.675   14.383  206.956   14.116 -3.281082 20.15253 
1 1 1  -18    4   25 o   77.443   10.594  2650.24  648.664  2758.98  812.532  2459.15  1077.11   77.235   13.445   68.919   18.750 8.315460 23.07194 
1 1 1  -18    4   26 o   81.748   11.196  3068.11  723.648  2982.14  938.458  3194.20  1136.54   76.615   15.615   76.071   18.564 0.5442886 24.25832 
1 1 1  -18    6    2 o  352.815   17.539 50686.42  5024.35 51275.73  7142.49 50109.16  7069.09  353.446   25.050  349.377   25.086 4.069305 35.45166 
1 1 1  -18    6    3 o  371.430   18.375 56178.42  5541.76 55499.15  7858.17 56850.50  7816.46  367.646   26.502  372.190   26.029 -4.543976 37.14608 
1 1 1  -18    6    4 o  956.594   46.212 377995.50 35893.94 357844.19 50773.32 398128.41 50750.07  919.094   68.528  971.854   64.682 -52.75964 94.23336 
1 1 1  -18    6    5 o  518.626   25.132 109711.90 10583.42 105955.20 14975.46 113460.30 14958.98  507.062   36.619  525.068   35.292 -18.00659 50.85783 
1 1 1  -18    6    6 o  1549.74  113.726 1065713.00 142106.30 1065713.00 142106.30   0.0000   0.0000  1549.74  113.726  ?   ?  0.000000 113.7260 
1 1 1  -18    6    7 o  579.162   27.970 136865.30 13153.32 129815.30 18608.67 143904.59 18594.55  560.959   41.142  591.233   38.952 -30.27454 56.65609 
1 1 1  -18    6    8 o  710.640   34.333 206640.30 19810.53   0.0000   0.0000 206640.30 19810.53  ?   ?   710.640   34.333 0.000000 34.33273 
1 1 1  -18    6    9 o  1229.92   41.639 622654.62 41583.20 625392.81 58793.68 619914.00 58821.38  1224.11   59.152  1218.57   59.449 5.540894 83.86412 
1 1 1  -18    6   10 o  343.251   11.831 47911.04  3297.47 49405.32  4649.00 46398.20  4677.77  348.301   16.439  337.057   17.149 11.24435 23.75523 
1 1 1  -18    6   11 o  368.226   14.897 55259.75  4454.12 70561.67  7743.99 47694.94  5444.91  414.353   23.109  341.040   19.747 73.31229 30.39743 
1 1 1  -18    6   12 o  714.958   28.230 211344.41 16387.89 205337.00 20061.54 223393.09 28411.40  700.300   35.396  720.819   48.831 -20.51886 60.31053 
1 1 1  -18    6   13 o  173.224   7.4803 12200.40  1052.13 13103.42  1467.81 11246.10  1508.91  179.125   10.134  165.774   11.277 13.35040 15.16115 
1 1 1  -18    6   14 o  147.935   6.9417  8898.34  833.827  9805.25  1156.34  7915.96  1203.49  154.928   9.2341  138.973   10.749 15.95517 14.17068 
1 1 1  -18    6   15 o  379.674   13.392 58917.21  4128.58 59750.16  5820.80 58073.92  5856.77  381.113   18.810  375.128   19.294 5.984344 26.94553 
1 1 1  -18    6   16 o  198.208   8.2121 15998.22  1321.64 15994.50  1850.19 16002.10  1888.56  197.555   11.585  197.563   11.827 -0.8026123E-02 16.55591 
1 1 1  -18    6   17 o  125.779   6.8182  6458.25  693.727  6215.44  957.114  6727.00  1006.94  123.039   9.6580  128.016   9.7608 -4.977875 13.73135 
1 1 1  -18    6   18 o  258.128   10.132 27265.09  2123.68 29229.23  2980.83 25240.48  3026.37  266.014   13.848  246.715   15.181 19.29932 20.54848 
1 1 1  -18    6   19 o  101.302   7.6256  4218.19  622.632  4005.45  794.723  4556.31  1001.91   98.235   10.108  104.390   12.041 -6.154655 15.72122 
1 1 1  -18    6   20 o  178.708   8.2833 13115.39  1201.95 13244.08  1661.55 12974.13  1740.84  178.283   11.540  176.165   12.246 2.118225 16.82685 
1 1 1  -18    6   21 o   91.947   7.8638  3503.28  581.451  3580.23  780.764  3407.47  871.249   92.208   10.623   89.377   12.334 2.830597 16.27783 
1 1 1  -18    6   22 o  191.130   9.0384 15174.77  1402.68 15664.12  1976.08 14677.81  1991.38  191.672   12.770  185.116   13.338 6.556183 18.46574 
1 1 1  -18    6   23 o   81.638   9.1567  2820.96  596.515  3093.20  745.217  2335.44  995.204   84.760   11.094   70.692   17.445 14.06844 20.67393 
1 1 1  -18    6   24 o   56.966   11.094  1437.66  494.699  1382.79  593.429  1562.65  895.665   54.959   13.416   57.082   17.587 -2.123547 22.12001 
1 1 1  -18    6   25 o   47.819   13.357  1077.85  538.565  573.356  608.102  2913.02  1159.81   38.023   14.378   74.507   19.086 -36.48351 23.89607 
1 1 1  -18    6   26 o   30.655   11.927  342.363  426.724  475.342  483.841 -123.2264  905.342   33.936   12.827   33.067   15.109 0.8690758 19.81968 
1 1 1  -18    8    1 o  241.300   10.952 23661.20  2145.89 24716.42  3725.60 23137.32  2625.07  245.680   18.819  238.164   13.631 7.516144 23.23734 
1 1 1  -18    8    2 o  516.262   24.943 108734.60 10455.65 114240.90 14846.13 103315.70 14727.62  526.825   34.904  500.562   36.487 26.26328 50.49344 
1 1 1  -18    8    3 o  247.003   13.120 24870.80  2621.86 25116.96  3751.26 24635.71  3665.96  247.697   18.792  245.328   18.540 2.369690 26.39844 
1 1 1  -18    8    4 o  376.523   18.818 57700.73  5753.16 53939.07  8173.56 61394.40  8099.35  362.430   27.992  387.097   25.918 -24.66718 38.14833 
1 1 1  -18    8    5 o  860.065   41.073 303713.31 28682.99 318206.91 40594.09 289262.69 40533.73  873.892   57.531  831.927   60.418 41.96484 83.42754 
1 1 1  -18    8    6 o  727.304   35.106 216438.70 20731.95 206551.20 29348.17 226287.50 29290.73  705.537   51.588  739.381   49.068 -33.84442 71.19643 
1 1 1  -18    8    7 o  397.466   15.899 64242.25  5131.08 72310.88  8953.00 60295.79  6261.42  420.270   26.370  384.352   20.133 35.91812 33.17723 
1 1 1  -18    8    8 o  340.900   17.469 47410.09  4819.20   0.0000   0.0000 47410.09  4819.20  ?   ?   340.900   17.469 0.000000 17.46912 
1 1 1  -18    8    9 o  122.501   6.7616  6113.67  669.951 11905.67  1238.13  3715.77  796.650  170.946   8.9512   95.040   10.499 75.90588 13.79664 
1 1 1  -18    8   10 o  433.975   17.387 76797.80  6126.84 84167.77 10660.41 73162.67  7486.87  451.608   29.229  422.481   21.900 29.12634 36.52303 
1 1 1  -18    8   11 o  521.406   18.363 111134.70  7774.35 115483.80 10983.00 106767.30 11006.21  529.818   25.530  508.433   26.754 21.38559 36.98106 
1 1 1  -18    8   12 o   53.809   6.2668  1192.55  268.675  1100.53  353.077  1319.14  414.107   51.298   8.7932   56.185   9.4100 -4.887054 12.87897 
1 1 1  -18    8   13 o  244.697   9.6512 24373.29  1917.57 25819.66  2695.48 22891.24  2728.52  251.214   13.262  236.346   14.285 14.86810 19.49195 
1 1 1  -18    8   14 f  496.303   17.419 101014.90  7019.63 105395.00  9911.22 96606.35  9943.37  504.601   24.190  481.966   25.499 22.63541 35.14797 
1 1 1  -18    8   15 o  310.401   10.747 39296.40  2708.72 39408.00  3811.79 39182.56  3849.90  310.142   15.137  309.217   15.334 0.9251709 21.54625 
1 1 1  -18    8   16 o  314.436   11.681 40402.87  2982.20 41606.43  4192.04 39169.66  4243.36  317.704   16.305  308.022   17.033 9.682007 23.57904 
1 1 1  -18    8   17 o  256.851   9.4798 26930.34  1977.06 25689.51  2765.27 28227.87  2827.74  249.767   13.687  261.940   13.339 -12.17358 19.11251 
1 1 1  -18    8   18 o   71.189   7.6910  2091.87  437.499  1578.81  527.393  3224.05  783.444   61.126   11.032   87.942   11.228 -26.81556 15.74073 
1 1 1  -18    8   19 o  268.218   10.066 29598.01  2192.30 30091.06  3080.46 29092.00  3120.69  268.355   14.188  263.610   14.637 4.744812 20.38489 
1 1 1  -18    8   20 o   75.530   7.8638  2366.34  475.198  1649.74  598.657  3586.87  781.300   61.876   12.348   92.496   10.594 -30.61963 16.26998 
1 1 1  -18    8   21 o   68.816   9.4977  1997.59  516.553  2223.63  622.675  1498.70  925.057   72.253   10.958   58.237   17.862 14.01595 20.95522 
1 1 1  -18    8   22 o  113.176   8.5311  5342.13  778.198  5781.65  1003.00  4677.41  1233.49  116.905   10.685  102.935   15.217 13.97008 18.59336 
1 1 1  -18    8   23 o   80.781   8.8697  2760.65  572.197  2606.77  687.125  3108.76  1033.47   77.544   11.241   82.368   16.029 -4.824234 19.57797 
1 1 1  -18    8   24 o   82.223   9.4109  2904.94  616.978  2303.93  717.544  4609.65  1208.45   71.444   12.841   99.727   15.421 -28.28242 20.06793 
1 1 1  -18    8   25 o   35.004   12.273  521.994  431.168  136.144  479.307  2158.61  987.140   28.707   12.083   64.111   18.145 -35.40440 21.80008 
1 1 1  -18    8   26 o   71.210   20.597  3145.30  1258.59   0.0000   0.0000  3145.30  1258.59  ?   ?    71.210   20.597 0.000000 20.59691 
1 1 1  -18   10    1 o  737.820   29.323 222278.30 17566.97 205123.00 30444.83 230840.91 21508.73  702.108   53.813  750.938   35.275 -48.83008 64.34454 
1 1 1  -18   10    2 o  939.054   65.715 369864.91 49790.52 369864.91 49790.52   0.0000   0.0000  939.054   65.715  ?   ?  0.000000 65.71489 
1 1 1  -18   10    3 f  1636.90  120.946 1195912.00 159611.41 1195912.00 159611.41   0.0000   0.0000  1636.90  120.946  ?   ?  0.000000 120.9459 
1 1 1  -18   10    4 f  1255.10   89.115 674398.12 90226.21 674398.12 90226.21   0.0000   0.0000  1255.10   89.115  ?   ?  0.000000 89.11474 
1 1 1  -18   10    5 o  924.014   44.939 350997.69 33716.43 326735.81 47734.32 375154.00 47630.31  882.449   67.123  948.005   62.223 -65.55646 91.52709 
1 1 1  -18   10    6 o  481.217   23.497 94350.05  9180.93 94256.85 13032.08 94441.88 12936.03  478.916   33.729  479.437   33.439 -0.5204163 47.49546 
1 1 1  -18   10    7 o  451.285   22.413 82985.45  8212.90   0.0000   0.0000 82985.45  8212.90  ?   ?   451.285   22.413 0.000000 22.41335 
1 1 1  -18   10    8 o  514.233   20.115 107760.10  8398.61 121344.80 14643.53 101101.00 10252.46  542.911   33.380  496.886   25.498 46.02588 42.00428 
1 1 1  -18   10    9 o  248.103   10.035 25024.13  2021.58 35254.38  3606.20 20335.91  2441.24  293.840   15.166  223.128   13.539 70.71266 20.33022 
1 1 1  -18   10   10 o  358.020   14.739 52249.17  4284.64 57755.91  7515.72 49597.74  5215.12  374.224   24.876  347.927   18.527 26.29742 31.01723 
1 1 1  -18   10   11 f  234.205   13.084 22426.38  2478.11 19837.20  3594.72 24771.19  3420.89  219.062   20.446  245.571   17.266 -26.50856 26.76111 
1 1 1  -18   10   12 o  571.233   22.957 134325.00 10648.14 130566.70 18533.05 136177.00 13009.81  553.239   41.561  573.258   27.950 -20.01825 50.08475 
1 1 1  -18   10   13 o  118.618   7.8595  5748.08  752.684  2663.74  1422.27  6947.96  887.089   79.154   21.550  130.408   8.4227 -51.25380 23.13744 
1 1 1  -18   10   14 f  307.739   13.105 38687.42  3274.63 37451.51  5774.45 39273.29  3975.73  299.734   23.926  309.215   15.889 -9.481201 28.72117 
1 1 1  -18   10   15 o  337.982   12.131 46671.21  3329.22 47551.74  4698.13 45783.09  4718.38  339.689   17.088  333.173   17.503 6.515442 24.46127 
1 1 1  -18   10   16 o  238.128   9.1510 23122.01  1769.36 23283.46  2483.92 22955.70  2521.00  238.107   12.896  236.357   13.189 1.749207 18.44569 
1 1 1  -18   10   17 o   56.075   7.5821  1304.74  336.371  1938.45  406.488 -71.8481  599.104   68.572   7.4189   30.482   13.184 38.09074 15.12838 
1 1 1  -18   10   18 f  194.006   8.0710 15383.46  1271.39 14122.47  1769.84 16728.10  1827.59  184.807   11.857  201.380   11.222 -16.57219 16.32523 
1 1 1  -18   10   19 o  120.998   7.2295  6011.23  707.024  5617.08  943.904  6515.05  1067.17  116.324   10.094  125.205   10.597 -8.881966 14.63457 
1 1 1  -18   10   20 o  163.056   7.8450 10925.02  1038.65 10552.47  1434.33 11335.74  1506.02  158.907   11.188  164.664   11.333 -5.757034 15.92506 
1 1 1  -18   10   21 o   70.959   8.7666  2113.55  494.359  2178.44  572.219  1922.59  981.636   71.679   10.113   65.097   17.978 6.582664 20.62730 
1 1 1  -18   10   22 o  145.162   8.0791  8762.15  948.486  7936.15  1247.83  9892.40  1459.66  136.560   11.357  152.220   11.905 -15.65952 16.45275 
1 1 1  -18   10   23 o   60.348   10.045  1577.71  474.905  1634.30  542.838  1393.14  980.433   60.937   11.390   54.986   18.534 5.950378 21.75371 
1 1 1  -18   10   24 o   23.217   9.9048   26.948  329.468  137.981  340.473 -1607.9120  1306.46   25.588   10.420   32.711   15.856 -7.123175 18.97344 
1 1 1  -18   10   25 o   28.821   11.030  291.183  360.584  428.470  382.568 -801.4236  1079.26   32.210   11.534   31.997   15.217 0.2123737 19.09376 
1 1 1  -18   12    1 o  402.100   16.770 65750.91  5475.38 56456.24  9513.56 70354.60  6695.44  370.438   31.941  415.801   19.831 -45.36264 37.59716 
1 1 1  -18   12    2 o  519.713   25.554 110087.20 10783.70 109625.70 15302.04 110542.60 15199.40  516.276   36.743  518.513   36.331 -2.237915 51.67203 
1 1 1  -18   12    3 o  580.578   28.482 137520.20 13426.86 131358.91 19053.74 143597.80 18923.82  564.315   41.882  590.612   39.692 -26.29730 57.70219 
1 1 1  -18   12    4 o  887.383   43.049 323423.50 31017.61 311782.09 43940.34 334986.09 43791.09  863.437   63.112  896.172   60.535 -32.73511 87.45111 
1 1 1  -18   12    5 o  961.292   46.284 380610.81 36126.46 382406.00 51166.30 378826.19 51015.07  954.242   66.452  949.688   66.578 4.553772 94.06660 
1 1 1  -18   12    6 f  515.019   24.744 108199.80 10347.44 117720.70 14709.21 98872.54 14558.94  535.015   34.037  489.555   36.897 45.45978 50.19872 
1 1 1  -18   12    7 o  553.671   26.762 125337.00 12031.06 130770.30 17085.23 119992.80 16944.62  562.411   37.631  538.262   39.036 24.14960 54.22040 
1 1 1  -18   12    8 o  281.941   12.442 32339.91  2848.35 29211.35  5073.96 33779.46  3441.82  266.190   23.724  287.647   14.786 -21.45673 27.95498 
1 1 1  -18   12    9 o  324.317   12.689 42827.61  3341.56 55025.77  5936.70 37170.86  4042.79  366.278   20.038  301.379   16.585 64.89914 26.01066 
1 1 1  -18   12   10 o  344.567   14.665 48433.99  4102.81 41888.82  7241.16 51528.70  4979.17  317.145   28.421  355.074   17.270 -37.92892 33.25709 
1 1 1  -18   12   11 o  236.301   13.028 22835.56  2489.94 22386.23  3659.25 23223.00  3397.88  232.899   19.531  237.574   17.743 -4.675110 26.38637 
1 1 1  -18   12   12 o  620.801   25.139 159344.00 12671.95 146855.00 22079.41 165478.41 15474.23  581.339   47.183  630.094   30.246 -48.75568 56.04480 
1 1 1  -18   12   13 o  380.213   15.661 59178.27  4834.97 59806.69  8516.31 58879.38  5873.28  377.883   27.954  378.000   19.199 -0.1170349 33.91233 
1 1 1  -18   12   14 o  298.122   12.790 36318.70  3096.02 36404.26  5523.08 36279.49  3738.64  295.428   23.211  297.105   15.552 -1.676880 27.93966 
1 1 1  -18   12   15 o  329.004   13.954 44352.57  3727.68 44039.36  6631.21 44497.27  4507.24  323.499   25.451  328.403   16.961 -4.904083 30.58471 
1 1 1  -18   12   16 o  365.177   15.530 54917.62  4604.86 52260.77  8173.65 56152.99  5573.56  349.058   29.104  367.634   18.734 -18.57590 34.61230 
1 1 1  -18   12   17 o  357.443   15.487 52909.60  4494.84 50180.38  7992.40 54172.11  5435.95  338.597   29.361  359.642   18.679 -21.04541 34.79964 
1 1 1  -18   12   18 o   32.941   8.7186  460.500  236.840  736.206  262.670 -738.0953  547.677   41.725   8.0447   22.370   10.694 19.35489 13.38199 
1 1 1  -18   12   19 o   85.785   7.3770  3036.91  508.846  3004.10  649.763  3088.93  818.258   84.843   9.6009   85.377   12.146 -0.5332870 15.48233 
1 1 1  -18   12   20 o  163.277   8.2397 11010.60  1088.86 10935.31  1510.97 11091.94  1570.52  161.378   11.609  162.353   11.999 -0.9746246 16.69520 
1 1 1  -18   12   21 o   79.956   8.5826  2677.03  548.481  2624.97  653.003  2801.76  1010.68   78.584   10.496   78.979   16.301 -0.3948669 19.38786 
1 1 1  -18   12   22 o   67.236   9.1329  1921.34  485.693  1778.56  552.826  2404.45  1016.90   64.008   11.035   71.783   17.586 -7.774162 20.76127 
1 1 1  -18   12   23 o  118.420   8.5692  5918.49  818.390  5369.41  1008.19  6979.28  1401.32  111.205   11.323  124.825   14.072 -13.61977 18.06179 
1 1 1  -18   12   24 o   41.928   11.750  802.664  416.087  654.095  441.467  1984.46  1245.10   38.330   12.419   60.817   20.882 -22.48653 24.29632 
1 1 1  -18   12   25 o   86.016   9.6542  3291.62  662.633  4037.66  718.548 -949.9598  1713.32   95.568   9.3808   38.577   18.565 56.99111 20.80018 
1 1 1  -18   14    1 o  684.850   27.369 191347.91 15219.02 182505.59 26415.46 195741.41 18619.95  663.455   49.389  691.881   33.144 -28.42615 59.47958 
1 1 1  -18   14    2 o  350.903   15.219 50068.14  4336.25 47563.23  7523.00 51314.40  5306.42  340.325   27.458  354.632   18.492 -14.30746 33.10471 
1 1 1  -18   14    3 o  1165.40   57.640 564545.31 54542.67 508630.50 77218.71 620218.38 77051.53  1086.31   88.309  1206.97   79.059 -120.6588 118.5283 
1 1 1  -18   14    4 o  792.916   39.433 258411.41 25387.71 223231.50 35986.31 293269.91 35821.53  728.297   61.428  839.084   52.848 -110.7875 81.03213 
1 1 1  -18   14    5 o  781.220   37.403 251035.09 23725.63 265012.81 33646.00 237210.80 33460.99  796.158   52.339  751.836   55.198 44.32172 76.06688 
1 1 1  -18   14    6 o  774.848   54.702 253488.30 34194.76   0.0000   0.0000 253488.30 34194.76  ?   ?   774.848   54.702 0.000000 54.70209 
1 1 1  -18   14    7 o  288.859   15.621 34098.93  3650.26 31461.45  5263.22 36543.27  5066.86  276.212   23.697  298.289   21.055 -22.07617 31.69988 
1 1 1  -18   14    8 f  241.921   13.390 23914.42  2619.94 24564.22  3815.35 23334.61  3604.00  244.347   19.390  238.212   18.785 6.134918 26.99727 
1 1 1  -18   14    9 o  351.885   16.320 50571.36  4662.85 41499.70  8271.07 54797.71  5645.48  314.329   32.894  365.406   19.094 -51.07742 38.03435 
1 1 1  -18   14   10 o  299.186   14.370 36528.92  3490.95 43513.36  5136.36 30532.84  4759.08  325.259   19.539  271.791   21.747 53.46808 29.23554 
1 1 1  -18   14   11 o  420.085   16.800 72219.33  5730.48 75050.79 10125.25 70884.98  6950.81  423.747   29.614  415.352   20.610 8.395386 36.08015 
1 1 1  -18   14   12 o  109.624   7.5390  4911.01  666.975  3422.37  1363.94  5378.86  764.634   89.588   19.319  114.680   8.2670 -25.09222 21.01307 
1 1 1  -18   14   13 o   83.356   7.8449  2852.40  524.715  761.688  1134.59  3421.22  591.806   51.396   19.591   91.332   8.0630 -39.93589 21.18513 
1 1 1  -18   14   14 o  355.645   15.391 51896.02  4444.40 43862.88  7909.38 55602.91  5372.85  320.681   30.753  367.415   18.010 -46.73459 35.63868 
1 1 1  -18   14   15 o  228.137   11.041 21269.79  2045.29 16774.83  3808.80 23091.15  2424.51  198.857   24.080  237.135   12.637 -38.27835 27.19455 
1 1 1  -18   14   16 o  175.007   9.5176 12551.79  1347.36 12560.67  2644.57 12548.68  1565.83  172.638   19.191  174.692   11.097 -2.054611 22.16804 
1 1 1  -18   14   17 o  118.059   9.4074  5746.84  894.314  8045.90  1976.08  5154.65  1002.90  137.332   18.167  111.393   11.242 25.93928 21.36423 
1 1 1  -18   14   18 o   60.497   13.486  1583.15  645.550  3295.71  1930.40  1367.52  684.987   85.092   25.743   56.120   14.815 28.97258 29.70123 
1 1 1  -18   14   19 o  170.824   10.447 12138.76  1442.03 13990.08  3150.98 11648.30  1621.84  176.188   22.543  166.659   12.067 9.529221 25.56902 
1 1 1  -18   14   20 o   89.373   12.848  3433.61  905.578  5318.36  2073.74  2989.51  1006.63  105.120   24.712   82.217   15.651 22.90323 29.25133 
1 1 1  -18   14   21 o  149.815   11.639  9546.12  1404.71  7824.04  3002.14 10028.82  1589.43  120.218   30.659  152.775   12.934 -32.55669 33.27620 
1 1 1  -18   14   22 o   85.463   15.022  3303.73  1004.40  3146.26  2936.65  3324.59  1068.86   76.303   30.770   85.149   16.049 -8.845787 34.70333 
1 1 1  -18   14   23 o   40.829   18.292 -68.8737  1251.58  526.775  2985.09 -195.9182  1378.61   58.494   26.986   41.626   18.874 16.86809 32.93099 
1 1 1  -18   14   24 o   49.546   20.174  1114.37  1276.14   0.0000   0.0000  1114.37  1276.14  ?   ?    49.546   20.174 0.000000 20.17362 
1 1 1  -18   14   25 o   56.753   23.535  2363.69  1778.59   0.0000   0.0000  2363.69  1778.59  ?   ?    56.753   23.535 0.000000 23.53475 
1 1 1  -18   16    1 f  141.953   9.0552  8220.76  1038.28  5506.02  1847.98  9473.00  1255.10  114.483   20.639  152.333   10.206 -37.85033 23.02509 
1 1 1  -18   16    2 o  621.435   25.373 157837.91 12802.63 153990.59 22221.52 159749.50 15663.52  607.795   45.354  624.178   30.906 -16.38263 54.88332 
1 1 1  -18   16    3 o  571.649   28.183 133875.30 13081.23 135599.80 18586.85 132182.80 18413.69  571.290   40.328  563.964   40.481 7.326477 57.14079 
1 1 1  -18   16    4 o  252.077   19.872 26089.46  4034.32   0.0000   0.0000 26089.46  4034.32  ?   ?   252.077   19.872 0.000000 19.87170 
1 1 1  -18   16    5 f  402.832   20.598 66479.08  6714.83 66751.34  9603.58 66218.66  9392.34  401.735   29.651  400.257   29.099 1.478516 41.54416 
1 1 1  -18   16    6 o  414.195   20.620 70186.80  6934.70 75618.92  9925.50 65006.26  9692.92  427.461   28.764  395.741   30.397 31.71982 41.84951 
1 1 1  -18   16    7 o   83.593   9.6014  2879.66  639.862  2609.90  1057.59  3035.42  803.634   78.435   17.089   85.528   11.894 -7.092735 20.82095 
1 1 1  -18   16    8 o  629.512   30.315 164298.91 15495.25 179668.50 22046.66 149294.70 21782.91  650.976   41.933  590.779   45.767 60.19641 62.07268 
1 1 1  -18   16    9 o  519.501   38.100 114158.20 15959.33 114158.20 15959.33   0.0000   0.0000  519.501   38.100  ?   ?  0.000000 38.10041 
1 1 1  -18   16   10 o  234.669   9.8295 22419.13  1872.95 27058.90  3526.47 20596.11  2210.49  256.556   17.025  224.435   12.175 32.12123 20.93087 
1 1 1  -18   16   11 o   54.015   8.2195  1214.09  349.124 -172.0932  975.535  1417.71  373.887   38.423   16.721   58.480   8.0907 -20.05720 18.57592 
1 1 1  -18   16   12 o  320.373   13.781 41966.04  3584.95 40695.23  6492.86 42523.34  4299.78  311.725   25.886  321.587   16.523 -9.862091 30.71006 
1 1 1  -18   16   13 o   47.507   10.126  955.297  378.666  1669.66  986.141  831.750  410.105   63.006   18.234   44.302   11.350 18.70459 21.47783 
1 1 1  -18   16   14 o  428.126   17.439 75584.24  6062.35 79000.28 10818.65 74020.60  7319.49  429.452   31.240  421.496   21.458 7.955170 37.89932 
1 1 1  -18   16   15 o  147.197   8.7013  8871.25  1035.35  9814.29  2139.19  8582.77  1183.16  152.985   17.538  144.556   10.144 8.429489 20.26044 
1 1 1  -18   16   16 o  268.046   12.523 29603.03  2725.63 26929.22  5090.53 30677.66  3227.20  248.901   25.551  271.754   14.680 -22.85362 29.46761 
1 1 1  -18   16   17 o   87.449   10.591  3195.08  736.691  2845.42  2187.23  3239.82  782.406   81.182   27.680   87.919   11.215 -6.736916 29.86624 
1 1 1  -18   16   18 o  124.898   10.336  6493.23  1038.81  5605.45  2638.53  6656.08  1130.08  107.634   29.372  126.217   11.141 -18.58217 31.41396 
1 1 1  -18   16   19 o  109.318   10.914  5025.04  955.838  4910.58  2365.82  5047.37  1044.92   99.729   28.044  109.183   11.984 -9.454239 30.49679 
1 1 1  -18   16   20 o   33.201   14.551 -97.0755  750.206  1154.89  2459.89 -225.4620  787.734   64.755   27.320   32.751   14.604 32.00366 30.97828 
1 1 1  -18   16   21 o   87.652   14.005  3400.56  963.172  3209.80  3043.63  3421.78  1015.35   78.612   31.457   87.516   14.818 -8.903564 34.77218 
1 1 1  -18   16   22 o   32.816   14.568 -121.4615  775.210 -5478.5889  3028.47  254.164  801.927   42.881   21.399   37.354   15.671 5.527565 26.52298 
1 1 1  -18   16   23 o  113.148   21.976  6845.00  1946.25   0.0000   0.0000  6845.00  1946.25  ?   ?   113.148   21.976 0.000000 21.97631 
1 1 1  -18   16   24 o   50.848   21.906  1275.21  1640.66   0.0000   0.0000  1275.21  1640.66  ?   ?    50.848   21.906 0.000000 21.90602 
1 1 1  -18   18    1 o  263.001   21.537 28481.69  4558.76   0.0000   0.0000 28481.69  4558.76  ?   ?   263.001   21.537 0.000000 21.53657 
1 1 1  -18   18    2 o  182.162   17.084 13656.39  2497.31   0.0000   0.0000 13656.39  2497.31  ?   ?   182.162   17.084 0.000000 17.08360 
1 1 1  -18   18    3 o  239.207   19.858 23555.17  3822.10   0.0000   0.0000 23555.17  3822.10  ?   ?   239.207   19.858 0.000000 19.85792 
1 1 1  -18   18    4 o  479.991   24.368 94862.06  9466.09 96018.30 13522.14 93750.88 13255.99  479.402   34.980  473.787   34.699 5.614410 49.27092 
1 1 1  -18   18    5 o  343.866   18.492 48488.93  5144.21 46554.41  7425.17 50274.50  7133.60  334.874   27.552  348.648   25.373 -13.77402 37.45554 
1 1 1  -18   18    6 o  399.013   20.437 65412.07  6598.98 68732.95  9478.54 62288.43  9192.74  406.681   28.892  386.862   29.487 19.81937 41.28286 
1 1 1  -18   18    7 f   72.330   10.474  2173.59  597.213  950.109  1033.18  2787.50  731.865   52.610   18.942   81.971   11.296 -29.36032 22.05452 
1 1 1  -18   18    8 o  444.702   33.326 83083.34 11946.09 83083.34 11946.09   0.0000   0.0000  444.702   33.326  ?   ?  0.000000 33.32639 
1 1 1  -18   18    9 o  160.696   11.628 10580.06  1506.93  9564.16  2302.70 11341.03  1992.94  151.504   19.146  165.928   14.953 -14.42400 24.29323 
1 1 1  -18   18   10 o   52.870   7.5733  1160.05  315.824  3184.95  883.645  863.502  338.160   87.419   12.831   45.206   9.5138 42.21350 15.97315 
1 1 1  -18   18   11 o  222.205   10.857 20134.95  1958.90 18333.01  3771.72 20800.54  2292.31  209.358   22.543  225.332   12.579 -15.97406 25.81519 
1 1 1  -18   18   12 o  203.650   9.6943 16906.32  1603.02 15945.47  3191.24 17230.58  1853.88  195.415   20.414  205.158   11.171 -9.742630 23.27039 
1 1 1  -18   18   13 o  487.889   19.256 98471.77  7628.28 106053.40 13611.39 95000.07  9210.68  495.669   34.026  476.882   23.787 18.78735 41.51618 
1 1 1  -18   18   14 o  274.974   12.220 30993.35  2728.42 30378.78  5131.96 31235.51  3221.41  267.719   23.858  275.154   14.470 -7.435150 27.90332 
1 1 1  -18   18   15 o  326.595   14.740 44147.87  3908.78 39501.35  7184.50 46101.51  4658.59  298.959   30.002  332.117   17.335 -33.15802 34.64992 
1 1 1  -18   18   16 o   84.505   10.319  2979.68  693.345  4267.82  2139.56  2828.53  732.894   96.680   26.477   82.083   11.296 14.59679 28.78574 
1 1 1  -18   18   17 o  179.659   10.489 13383.97  1523.50 12897.66  3316.19 13514.07  1715.23  168.539   24.990  180.039   11.798 -11.50018 27.63498 
1 1 1  -18   18   18 o  167.117   10.727 11651.72  1447.84 14785.93  3501.14 11005.18  1590.17  178.798   24.783  161.761   12.197 17.03717 27.62120 
1 1 1  -18   18   19 o  116.132   11.139  5696.53  1037.52  6523.42  2708.18  5554.30  1123.21  112.826   29.301  114.178   12.310 -1.351929 31.78165 
1 1 1  -18   18   20 o  129.485   11.537  7148.12  1200.29  8180.81  3498.29  7010.33  1277.86  117.899   34.408  127.710   12.483 -9.810158 36.60191 
1 1 1  -18   18   21 o   44.451   16.537  768.338  797.646  3105.18  2698.33  544.583  834.961   75.479   29.806   41.737   16.549 33.74244 34.09193 
1 1 1  -18   18   22 o   40.379   17.669  141.438  1102.51 -2735.2590  3602.88  438.645  1158.06   51.861   25.398   43.772   18.619 8.088303 31.49216 
1 1 1  -18   18   23 o   74.389   23.610  3395.23  1601.78   0.0000   0.0000  3395.23  1601.78  ?   ?    74.389   23.610 0.000000 23.61019 
1 1 1  -18   18   24 o   36.628   17.243 -335.5173  1321.20   0.0000   0.0000 -335.5173  1321.20  ?   ?    36.628   17.243 0.000000 17.24272 
1 1 1  -18   20    1 o  813.810   60.674 291159.91 39804.17   0.0000   0.0000 291159.91 39804.17  ?   ?   813.810   60.674 0.000000 60.67353 
1 1 1  -18   20    2 o  397.575   30.952 65878.14  9912.99   0.0000   0.0000 65878.14  9912.99  ?   ?   397.575   30.952 0.000000 30.95163 
1 1 1  -18   20    3 o  226.990   14.651 21105.15  2685.89   0.0000   0.0000 21105.15  2685.89  ?   ?   226.990   14.651 0.000000 14.65102 
1 1 1  -18   20    4 o  460.385   33.903 88807.66 12584.53   0.0000   0.0000 88807.66 12584.53  ?   ?   460.385   33.903 0.000000 33.90343 
1 1 1  -18   20    5 o   77.165   14.166  2505.28  854.862   0.0000   0.0000  2505.28  854.862  ?   ?    77.165   14.166 0.000000 14.16595 
1 1 1  -18   20    6 o  386.485   19.909 61437.14  6226.51 68165.13  9022.30 55318.80  8603.82  404.796   27.615  363.887   29.370 40.90891 40.31348 
1 1 1  -18   20    7 o  535.678   40.199 122495.40 17357.36 122495.40 17357.36   0.0000   0.0000  535.678   40.199  ?   ?  0.000000 40.19947 
1 1 1  -18   20    8 o  310.556   16.556 39603.45  4159.62 46473.61  6113.01 33679.58  5676.42  334.914   22.612  284.244   24.845 50.67056 33.59376 
1 1 1  -18   20    9 o  387.994   20.709 62205.22  6500.60 60445.57  9413.38 63809.37  8987.84  378.429   30.905  389.936   28.587 -11.50681 42.09891 
1 1 1  -18   20   10 o  215.098   11.192 18926.78  1947.88 16121.45  3852.91 19889.99  2257.65  195.462   24.837  220.286   12.676 -24.82480 27.88492 
1 1 1  -18   20   11 o  202.588   8.5470 16716.81  1405.94 24292.25  2949.60 14489.66  1599.32  242.937   15.027  188.165   10.510 54.77281 18.33751 
1 1 1  -18   20   12 o   78.940   8.2611  2566.40  521.662  832.885  1527.97  2795.12  555.010   57.308   22.493   82.397   8.4137 -25.08910 24.01519 
1 1 1  -18   20   13 o  123.586   8.7304  6262.72  870.440  3810.39  2123.60  6757.94  954.288   93.430   26.674  128.333   9.2195 -34.90291 28.22206 
1 1 1  -18   20   14 o   51.272   12.360  1124.71  508.548  1593.58  1199.94  1022.06  561.465   62.469   20.488   49.036   13.617 13.43301 24.60066 
1 1 1  -18   20   15 o  167.044   9.8991 11504.05  1336.66 10342.96  2959.53 11801.59  1498.17  152.433   24.761  168.902   10.984 -16.46945 27.08804 
1 1 1  -18   20   16 o  136.147   9.5961  7671.76  1054.03  9138.81  2852.07  7439.70  1134.33  141.118   25.843  133.802   10.526 7.315521 27.90465 
1 1 1  -18   20   17 o  171.916   10.575 12307.17  1468.96 12004.33  3361.26 12378.66  1633.18  159.613   26.891  171.905   11.771 -12.29222 29.35499 
1 1 1  -18   20   18 o   61.471   13.301  1656.38  644.602  2946.28  2535.12  1567.22  666.508   79.695   29.515   59.597   14.010 20.09859 32.67100 
1 1 1  -18   20   19 o   80.107   13.882  2822.00  870.223  1136.58  2881.49  2991.16  912.847   66.877   28.921   82.408   14.152 -15.53165 32.19759 
1 1 1  -18   20   20 o   89.547   15.807  3641.86  1107.27  4912.32  3267.20  3477.00  1176.92   89.307   33.421   86.545   17.352 2.761337 37.65684 
1 1 1  -18   20   21 o   36.293   16.099 -76.3096  944.765 -138.2710  2635.61 -67.1741  1012.02   54.432   25.197   37.508   16.649 16.92369 30.20087 
1 1 1  -18   20   22 o   51.564   21.919  1050.65  1602.91   0.0000   0.0000  1050.65  1602.91  ?   ?    51.564   21.919 0.000000 21.91907 
1 1 1  -18   20   23 o   42.117   19.579   4.5505  1616.54   0.0000   0.0000   4.5505  1616.54  ?   ?    42.117   19.579 0.000000 19.57866 
1 1 1  -18   22    1 o  384.902   20.843 60984.78  6489.79   0.0000   0.0000 60984.78  6489.79  ?   ?   384.902   20.843 0.000000 20.84318 
1 1 1  -18   22    2 o  311.339   14.819 39578.21  3746.10 38504.84  6700.36 40066.29  4518.23  303.828   27.457  312.349   17.890 -8.520172 32.77061 
1 1 1  -18   22    3 o  175.494   15.174 12673.28  2140.97 13450.23  2936.58 11791.71  3128.06  179.881   20.470  167.594   23.644 12.28764 31.27384 
1 1 1  -18   22    4 f  226.125   16.536 21028.28  3015.06 23909.29  4116.15 17692.84  4428.88  240.231   21.324  204.929   27.295 35.30190 34.63716 
1 1 1  -18   22    5 o  433.152   33.931 79220.22 11838.31 79220.22 11838.31   0.0000   0.0000  433.152   33.931  ?   ?  0.000000 33.93108 
1 1 1  -18   22    9 f  145.734   15.901  8814.47  1851.10   0.0000   0.0000  8814.47  1851.10  ?   ?   145.734   15.901 0.000000 15.90145 
1 1 1  -18   22   10 o   51.810   18.151  983.796  943.025   0.0000   0.0000  983.796  943.025  ?   ?    51.810   18.151 0.000000 18.15141 
1 1 1  -18   22   11 o   35.202   10.035  518.147  300.775   0.0000   0.0000  518.147  300.775  ?   ?    35.202   10.035 0.000000 10.03454 
1 1 1  -18   22   12 f  183.298   11.621 13826.25  1720.57   0.0000   0.0000 13826.25  1720.57  ?   ?   183.298   11.621 0.000000 11.62058 
1 1 1  -18   22   13 o  198.323   11.996 16246.23  1922.58   0.0000   0.0000 16246.23  1922.58  ?   ?   198.323   11.996 0.000000 11.99559 
1 1 1  -18   22   14 o   66.706   10.850  1878.49  567.491  7266.96  2312.01  1533.04  585.400  127.914   23.111   59.797   12.461 68.11696 26.25636 
1 1 1  -18   22   15 o   22.549   10.507 -426.4658  469.985  461.142  1856.60 -487.2392  485.808   56.527   23.786   22.482   10.543 34.04460 26.01744 
1 1 1  -18   22   16 o  202.293   11.427 17087.53  1869.31 15911.23  4455.13 17338.87  2059.36  179.853   31.664  203.208   12.542 -23.35474 34.05741 
1 1 1  -18   22   17 o   91.343   11.288  3537.70  819.386  2822.79  2635.40  3614.20  862.114   79.158   29.933   92.164   11.791 -13.00586 32.17119 
1 1 1  -18   22   18 o   53.356   15.376  1268.97  702.584 -2454.7429  3066.70  1475.24  721.781   53.296   25.430   57.332   15.242 -4.036293 29.64791 
1 1 1  -18   22   19 o   46.632   16.314  908.085  761.648  130.278  2760.72  972.164  792.401   59.248   26.800   47.925   16.647 11.32317 31.54939 
1 1 1  -18   22   20 o  199.787   14.751 17916.95  2376.06  6391.61  5591.86 20456.38  2624.81   86.402   38.690  212.774   15.295 -126.3718 41.60306 
1 1 1  -18   22   21 o   55.127   22.507  1393.52  1593.83  504.924  4145.32  1547.67  1726.55   60.782   29.153   56.956   23.359 3.826637 37.35699 
1 1 1  -18   22   22 o   37.808   18.130 -997.9475  1600.91   0.0000   0.0000 -997.9475  1600.91  ?   ?    37.808   18.130 0.000000 18.12952 
1 1 1  -18   24    1 o  124.194   14.800  6392.40  1463.02   0.0000   0.0000  6392.40  1463.02  ?   ?   124.194   14.800 0.000000 14.79954 
1 1 1  -18   24    2 o  160.863   14.771 10666.28  1907.73   0.0000   0.0000 10666.28  1907.73  ?   ?   160.863   14.771 0.000000 14.77073 
1 1 1  -18   24    3 f  484.181   26.613 97682.06 10422.36 86487.63 14763.33 108804.30 14715.67  447.634   41.077  505.773   36.070 -58.13922 54.66550 
1 1 1  -18   24    4 o   86.621   18.686  3199.18  1275.65  7220.89  1555.74 -5053.2622  2228.55  132.064   14.761   38.721   19.156 93.34277 24.18368 
1 1 1  -18   24    5 o  302.760   14.805 37513.54  3639.60 39652.11  6464.47 36521.04  4403.92  307.666   26.124  297.558   18.317 10.10748 31.90557 
1 1 1  -18   24    6 o  410.312   22.261 69873.00  7388.71 71639.98 10806.85 68322.01 10124.88  410.396   32.702  401.491   31.306 8.904358 45.27110 
1 1 1  -18   24    7 o  126.301   13.774  6603.96  1389.67  6384.48  2502.62  6701.81  1670.96  121.448   26.152  126.689   16.647 -5.240440 31.00049 
1 1 1  -18   24    8 o  228.373   15.000 21487.78  2765.95 26040.58  4382.40 18473.38  3565.93  249.575   21.846  210.099   21.193 39.47603 30.43624 
1 1 1  -18   24    9 o  167.225   24.558 11946.42  3235.19 11946.42  3235.19   0.0000   0.0000  167.225   24.558  ?   ?  0.000000 24.55813 
1 1 1  -18   24   10 o  390.649   33.505 66884.90 10524.71 66884.90 10524.71   0.0000   0.0000  390.649   33.505  ?   ?  0.000000 33.50490 
1 1 1  -18   24   11 o  155.146   11.215  9924.61  1403.33  9846.33  2933.96  9947.83  1597.98  150.187   24.934  154.966   12.815 -4.779236 28.03413 
1 1 1  -18   24   12 o  110.947   10.517  5100.71  936.141  2943.18  2349.18  5508.00  1020.68   83.589   28.685  115.213   11.046 -31.62400 30.73791 
1 1 1  -18   24   13 o  123.549   11.370  6356.49  1127.85  5956.97  2818.03  6432.69  1230.72  112.282   30.236  124.008   12.389 -11.72599 32.67567 
1 1 1  -18   24   14 o   23.616   10.622 -199.3947  426.554 -1837.5770  2116.74 -130.0556  435.488   46.621   21.909   24.798   10.968 21.82247 24.50093 
1 1 1  -18   24   15 o  152.488   14.536  9913.84  1778.02   0.0000   0.0000  9913.84  1778.02  ?   ?   152.488   14.536 0.000000 14.53619 
1 1 1  -18   24   16 o  157.038   14.901 10622.28  1877.24   0.0000   0.0000 10622.28  1877.24  ?   ?   157.038   14.901 0.000000 14.90073 
1 1 1  -18   24   17 o   91.575   16.184  3746.92  1159.34   0.0000   0.0000  3746.92  1159.34  ?   ?    91.575   16.184 0.000000 16.18376 
1 1 1  -18   24   18 o  143.980   15.957  9262.55  1834.06   0.0000   0.0000  9262.55  1834.06  ?   ?   143.980   15.957 0.000000 15.95655 
1 1 1  -18   24   19 o   60.047   18.623  1733.93  1002.39   0.0000   0.0000  1733.93  1002.39  ?   ?    60.047   18.623 0.000000 18.62313 
1 1 1  -18   26    1 o  449.833   24.573 84323.28  8941.31   0.0000   0.0000 84323.28  8941.31  ?   ?   449.833   24.573 0.000000 24.57298 
1 1 1  -18   26    2 o  143.155   16.333  8514.03  1864.49   0.0000   0.0000  8514.03  1864.49  ?   ?   143.155   16.333 0.000000 16.33279 
1 1 1  -18   26    3 o  112.454   15.297  5276.11  1360.48  4951.48  2889.61  5368.57  1542.09  107.114   31.274  113.033   17.357 -5.918320 35.76819 
1 1 1  -18   26    4 o  258.894   14.644 27550.63  3065.76 32800.51  5585.99 25287.64  3667.47  279.486   24.875  247.103   18.411 32.38222 30.94739 
1 1 1  -18   26    5 o  250.626   14.963 25856.12  3031.03 25342.23  5601.22 26068.92  3604.35  243.655   28.874  250.949   17.805 -7.294189 33.92185 
1 1 1  -18   26    6 o  325.927   16.798 43859.89  4430.36 46886.49  7902.06 42472.36  5350.38  331.305   29.690  319.319   20.748 11.98615 36.22115 
1 1 1  -18   26    7 o  474.937   25.787 95337.41  9907.17 98186.55 14531.22 92862.71 13542.67  471.039   38.326  459.703   36.585 11.33578 52.98377 
1 1 1  -18   26    8 o  203.286   15.683 17152.66  2568.69 17669.17  4326.83 16871.55  3192.06  202.162   27.036  200.285   19.892 1.877060 33.56555 
1 1 1  -18   26    9 o  148.852   15.139  9254.47  1804.23  9927.16  3306.19  8969.18  2153.09  149.460   28.279  145.473   18.658 3.986420 33.87992 
1 1 1  -18   26   10 o  248.461   17.313 25943.18  3470.96 24309.49  5582.03 26973.03  4431.94  232.658   30.265  250.815   21.984 -18.15688 37.40685 
1 1 1  -18   26   11 o   96.442   8.5375  3839.49  661.646  9116.34  2547.39  3457.75  685.160  143.954   22.533   91.323   9.3729 52.63078 24.40457 
1 1 1  -18   26   12 o  244.934   12.393 24974.43  2456.61 20631.63  5355.29 26131.84  2764.65  207.969   32.801  249.890   13.677 -41.92097 35.53811 
1 1 1  -18   26   13 o  109.453   8.8874  4962.46  783.025  9216.70  3017.89  4655.40  810.792  139.915   27.545  105.829   9.5380 34.08665 29.14948 
1 1 1  -18   26   14 o  230.026   12.133 22196.95  2258.12 23362.08  5404.57 21950.53  2485.47  217.496   31.522  227.878   13.493 -10.38240 34.28867 
1 1 1  -18   26   15 o   40.479   13.300  673.433  505.544  5092.83  2900.65  534.985  513.402   98.491   31.827   37.695   13.376 60.79528 34.52304 
1 1 1  -18   26   16 o   81.571   11.280  2849.65  727.129  9289.26  3395.42  2540.13  744.399  130.399   32.249   76.525   12.405 53.87396 34.55220 
1 1 1  -18   26   17 o   51.248   14.375  1181.76  622.416  3243.47  2901.17  1082.28  637.255   78.432   30.927   49.222   14.768 29.21028 34.27210 
1 1 1  -18   26   18 o   44.692   14.938  873.853  636.891  920.241  3790.31  872.505  646.077   65.885   30.400   44.722   15.045 21.16323 33.91933 
1 1 1  -18   26   19 o   20.957   10.648 -3354.0620  960.832 -7847.6050  3705.62 -3030.1790  994.857   42.979   21.735   22.396   11.318 20.58365 24.50558 
1 1 1  -18   26   20 o   48.985   20.014  1088.56  1261.41   0.0000   0.0000  1088.56  1261.41  ?   ?    48.985   20.014 0.000000 20.01360 
1 1 1  -18   26   21 o   54.316   22.764  1977.29  1689.55   0.0000   0.0000  1977.29  1689.55  ?   ?    54.316   22.764 0.000000 22.76415 
1 1 1  -18   28    1 o  158.264   16.976 10440.66  2147.38   0.0000   0.0000 10440.66  2147.38  ?   ?   158.264   16.976 0.000000 16.97554 
1 1 1  -18   28    2 f  209.502   17.832 18260.11  3004.44   0.0000   0.0000 18260.11  3004.44  ?   ?   209.502   17.832 0.000000 17.83152 
1 1 1  -18   28    3 o  452.892   25.813 86790.38  9452.85   0.0000   0.0000 86790.38  9452.85  ?   ?   452.892   25.813 0.000000 25.81260 
1 1 1  -18   28    4 o  118.941   16.644  5951.37  1563.42  5964.30  3242.43  5947.46  1784.57  115.585   32.946  118.234   19.251 -2.649551 38.15830 
1 1 1  -18   28    5 o  170.260   14.779 12035.44  2022.90 12812.53  3998.35 11768.10  2345.20  170.254   30.020  167.607   17.490 2.647186 34.74355 
1 1 1  -18   28    6 o  247.773   15.885 25526.33  3178.99 29994.34  5966.98 23755.54  3756.49  262.163   28.490  237.501   19.656 24.66145 34.61282 
1 1 1  -18   28    7 o  217.175   17.037 19774.75  2980.19 24257.69  5073.95 17413.70  3682.29  235.348   27.043  201.130   22.959 34.21880 35.47486 
1 1 1  -18   28    8 o   24.460   11.700 -892.8463  657.671 -965.8928  2118.19 -885.0532  691.865   51.622   23.401   25.445   12.124 26.17712 26.35542 
1 1 1  -18   28    9 o  341.919   21.816 50479.16  6025.10 49063.28  9386.69 51471.27  7857.40  320.348   36.752  337.812   28.925 -17.46411 46.76942 
1 1 1  -18   28   10 o   96.266   18.616  4067.60  1402.48  1849.56  3144.43  4618.43  1566.98   78.220   31.735  102.375   19.564 -24.15574 37.28098 
1 1 1  -18   28   11 o  171.045   16.585 12522.88  2274.41 13795.54  4333.15 12038.92  2672.09  168.005   32.942  165.614   20.296 2.391525 38.69215 
1 1 1  -18   28   12 o   72.492   9.5398  2206.22  547.886 -10.4137  2979.98  2283.77  557.388   64.631   28.634   73.778   9.5270 -9.146973 30.17735 
1 1 1  -18   28   13 o   35.016   11.536  493.633  380.246  1873.41  2817.16  468.030  383.758   73.440   29.946   34.434   11.595 39.00571 32.11263 
1 1 1  -18   28   14 o   41.955   13.363  741.151  512.787 -657.2802  3256.51  776.707  519.265   62.191   28.505   42.776   13.426 19.41550 31.50882 
1 1 1  -18   28   15 f  157.760   10.370 10484.60  1320.90 14301.84  4291.25 10085.06  1388.30  159.670   34.134  154.275   11.158 5.395844 35.91135 
1 1 1  -18   28   16 o   75.791   11.758  2501.77  700.137  7100.35  4103.93  2363.91  710.554  101.185   37.537   73.376   12.366 27.80920 39.52133 
1 1 1  -18   28   17 o   32.177   13.251  208.956  558.461 -960.1663  4198.82  230.010  563.467   61.338   29.399   32.595   13.354 28.74308 32.28941 
1 1 1  -18   28   18 o   42.180   18.649  157.598  1257.86  5126.91  4681.17 -229.1254  1305.89   76.127   34.617   40.002   18.226 36.12500 39.12255 
1 1 1  -18   28   19 o   62.596   22.542  2352.46  1463.24   0.0000   0.0000  2352.46  1463.24  ?   ?    62.596   22.542 0.000000 22.54165 
1 1 1  -18   28   20 o   55.221   23.096  2095.92  1733.85   0.0000   0.0000  2095.92  1733.85  ?   ?    55.221   23.096 0.000000 23.09595 
1 1 1  -18   30    1 o  267.816   19.912 30311.82  4298.99   0.0000   0.0000 30311.82  4298.99  ?   ?   267.816   19.912 0.000000 19.91166 
1 1 1  -18   30    2 o   49.376   20.755  217.842  1411.36   0.0000   0.0000  217.842  1411.36  ?   ?    49.376   20.755 0.000000 20.75544 
1 1 1  -18   30    3 o  238.351   20.198 24136.00  3872.17   0.0000   0.0000 24136.00  3872.17  ?   ?   238.351   20.198 0.000000 20.19772 
1 1 1  -18   30    4 o   88.522   21.199  3455.94  1503.62  1516.13  3519.62  3889.02  1663.02   80.584   33.235   93.720   22.196 -13.13605 39.96565 
1 1 1  -18   30    5 o   40.213   17.375 -66.2505  1038.28 -843.9874  2779.07   59.919  1119.34   60.444   27.156   42.909   18.280 17.53477 32.73508 
1 1 1  -18   30    6 o  178.227   16.617 13442.98  2377.00 11481.10  5027.80 14007.70  2697.50  150.686   40.307  181.044   18.615 -30.35817 44.39766 
1 1 1  -18   30    7 o  115.735   18.909  5829.43  1715.56  8224.93  3998.18  5288.85  1899.29  128.544   36.565  108.806   22.249 19.73822 42.80227 
1 1 1  -18   30    8 o  403.985   25.072 72797.95  8183.61 78797.55 12713.88 68553.77 10693.35  393.832   40.327  375.727   35.471 18.10529 53.70722 
1 1 1  -18   30    9 o  115.618   18.798  5871.91  1704.11  5976.85  4129.79  5850.38  1870.80  108.387   37.984  114.429   20.906 -6.041924 43.35727 
1 1 1  -18   30   10 o   56.219   20.864  1167.41  1268.11  7474.68  3512.40  222.032  1359.83  120.329   34.287   47.616   20.213 72.71324 39.80187 
1 1 1  -18   30   11 o  192.600   18.099 16240.97  2797.27 22841.92  5577.35 14022.50  3233.34  211.885   33.535  174.775   23.369 37.11052 40.87418 
1 1 1  -18   30   12 o  114.427   9.5294  5470.64  877.336  7009.84  3810.50  5384.48  901.558  111.149   36.513  113.393   9.8910 -2.243759 37.82907 
1 1 1  -18   30   13 o   43.556   12.401  826.257  459.656 -2025.0229  3803.16  868.524  463.051   60.980   28.872   44.577   12.362 16.40340 31.40746 
1 1 1  -18   30   14 o   38.785   12.484  634.350  446.634  1426.06  3959.42  624.146  449.503   72.625   32.536   38.572   12.534 34.05235 34.86652 
1 1 1  -18   30   15 o   55.920   12.610  1399.00  558.886  4969.94  4284.13  1337.18  563.704   86.194   36.193   54.553   12.924 31.64057 38.43150 
1 1 1  -18   30   16 o   51.508   14.028  1224.41  602.569  2686.98  4743.00  1200.42  607.491   72.329   33.594   50.984   14.166 21.34449 36.45882 
1 1 1  -18   30   17 o   46.025   20.010  501.764  1394.18  6085.68  5472.67  114.219  1441.75   75.653   35.448   43.651   19.589 32.00204 40.50042 
1 1 1  -18   30   18 o   56.348   22.776  1841.13  1613.09   0.0000   0.0000  1841.13  1613.09  ?   ?    56.348   22.776 0.000000 22.77581 
1 1 1  -18   32    1 o  118.123   23.351  6250.25  2160.29   0.0000   0.0000  6250.25  2160.29  ?   ?   118.123   23.351 0.000000 23.35129 
1 1 1  -18   32    2 o  131.780   23.439  7756.40  2416.08   0.0000   0.0000  7756.40  2416.08  ?   ?   131.780   23.439 0.000000 23.43891 
1 1 1  -18   32    3 o  166.053   21.304 12068.65  2806.17   0.0000   0.0000 12068.65  2806.17  ?   ?   166.053   21.304 0.000000 21.30404 
1 1 1  -18   32    4 o  184.829   20.959 14925.22  3089.75   0.0000   0.0000 14925.22  3089.75  ?   ?   184.829   20.959 0.000000 20.95856 
1 1 1  -18   32    5 o   81.774   23.838  3038.48  1680.01 -945.6302  4362.83  3732.10  1820.39   73.362   33.383   90.136   24.314 -16.77447 41.29871 
1 1 1  -18   32    6 o   89.759   22.986  3692.72  1682.56 -948.3102  4679.16  4381.92  1803.17   75.138   34.338   97.808   23.078 -22.67014 41.37281 
1 1 1  -18   32    7 f  155.166   19.143 10557.12  2360.62  8845.62  5295.89 10981.49  2637.10  124.544   43.050  157.005   21.230 -32.46043 48.00000 
1 1 1  -18   32    8 o  172.945   19.270 13175.66  2659.93 17865.31  6029.38 12042.38  2963.95  177.678   42.386  162.588   23.101 15.08992 48.27226 
1 1 1  -18   32    9 o  236.374   21.395 25142.93  4061.78 26006.58  7696.19 24809.49  4782.00  205.555   47.119  229.487   26.129 -23.93163 53.87852 
1 1 1  -18   32   10 o  159.084   20.133 11436.35  2542.41 10997.41  5960.44 11533.97  2810.96  127.102   45.524  157.794   22.584 -30.69180 50.81821 
1 1 1  -18   32   11 o   95.025   23.855  4401.34  1837.81 12148.68  5186.48  3288.89  1965.33  136.006   42.391   81.417   26.186 54.58848 49.82674 
1 1 1  -18   32   12 o   81.617   9.2854  2813.07  604.396  4345.30  5188.13  2791.99  608.539   88.360   38.506   81.271   9.3950 7.089951 39.63558 
1 1 1  -18   32   13 o   16.986   8.0355 -330.2485  293.427  1104.42  5063.73 -335.0822  293.921   73.673   34.382   16.952   8.0264 56.72092 35.30670 
1 1 1  -18   32   14 o   50.531   12.437  1150.59  506.850 -204.7502  4601.12  1167.24  509.953   65.394   31.187   50.895   12.444 14.49936 33.57845 
1 1 1  -18   32   15 o   56.892   12.967  1485.66  585.676  3190.03  5813.54  1468.19  588.671   71.898   34.495   56.497   13.089 15.40141 36.89493 
1 1 1  -18   32   16 o   62.587   23.882  2310.18  1687.28  3411.17  6292.50  2224.88  1751.41   66.407   32.728   61.638   24.113 4.768719 40.65213 
1 1 1  -18   32   17 o   36.090   17.257 -876.6858  1428.18   0.0000   0.0000 -876.6858  1428.18  ?   ?    36.090   17.257 0.000000 17.25695 
1 1 1  -18   34    1 o   65.633   25.489  1496.15  1945.84   0.0000   0.0000  1496.15  1945.84  ?   ?    65.633   25.489 0.000000 25.48853 
1 1 1  -18   34    2 o  187.242   23.404 15844.08  3480.47   0.0000   0.0000 15844.08  3480.47  ?   ?   187.242   23.404 0.000000 23.40382 
1 1 1  -18   34    3 o  234.123   23.402 24756.67  4389.16   0.0000   0.0000 24756.67  4389.16  ?   ?   234.123   23.402 0.000000 23.40215 
1 1 1  -18   34    4 o  154.334   24.469 10995.23  2964.02   0.0000   0.0000 10995.23  2964.02  ?   ?   154.334   24.469 0.000000 24.46910 
1 1 1  -18   34    5 o   68.309   25.009  1935.15  1811.73 10209.18  5567.04  955.046  1916.03  129.028   44.160   60.151   24.631 68.87686 50.56491 
1 1 1  -18   34    6 o   45.037   20.050 -293.9881  1478.72 -506.7781  4868.17 -272.3593  1552.06   75.166   34.599   46.280   20.576 28.88658 40.25533 
1 1 1  -18   34    7 o  112.577   25.100  6105.84  2235.91  5661.81  6070.26  6175.54  2405.00  100.908   42.764  112.024   26.800 -11.11620 50.46747 
1 1 1  -18   34    8 o   63.432   24.208  1605.58  1733.75  6431.03  6224.98  1199.79  1805.18  101.845   43.241   60.194   24.177 41.65147 49.54102 
1 1 1  -18   34    9 o   69.071   24.698  2200.42  1753.69  6099.18  6103.25  1849.56  1830.90   97.804   42.193   65.794   24.932 32.01036 49.00870 
1 1 1  -18   34   10 o  186.636   23.856 16956.32  3532.44 17192.01  8339.10 16904.79  3899.58  128.350   51.818  182.070   27.213 -53.72017 58.52911 
1 1 1  -18   34   11 o   79.169   26.064  3315.83  1941.29  4020.09  6671.48  3250.69  2029.09   84.519   39.451   78.209   26.661 6.309486 47.61486 
1 1 1  -18   34   12 o   67.829   10.305  1994.16  549.706  6918.03  6791.49  1961.69  551.516   87.356   40.442   67.209   10.445 20.14686 41.76913 
1 1 1  -18   34   13 o  112.422   10.357  5463.30  934.753  2552.17  6514.65  5524.50  944.526   72.288   35.125  113.019   10.410 -40.73118 36.63490 
1 1 1  -18   34   14 o   84.066   25.929  4376.43  1946.11  6377.26  8018.97  4251.21  2006.09   72.321   35.878   81.933   26.467 -9.612213 44.58372 
1 1 1  -18   34   15 o   74.774   25.568  3788.56  1866.23  6740.85  8440.57  3636.82  1913.59   65.551   33.109   72.640   25.818 -7.089134 41.98520 
1 1 1  -18   36    1 o  205.288   26.132 20136.61  4257.04   0.0000   0.0000 20136.61  4257.04  ?   ?   205.288   26.132 0.000000 26.13150 
1 1 1  -18   36    2 o   79.355   29.123  2956.44  2458.78   0.0000   0.0000  2956.44  2458.78  ?   ?    79.355   29.123 0.000000 29.12257 
1 1 1  -18   36    3 o   44.837   20.934 -1281.0690  1880.44   0.0000   0.0000 -1281.0690  1880.44  ?   ?    44.837   20.934 0.000000 20.93405 
1 1 1  -18   36    4 o  125.593   29.829  8169.83  2996.74   0.0000   0.0000  8169.83  2996.74  ?   ?   125.593   29.829 0.000000 29.82946 
1 1 1  -18   36    5 o   43.222   20.144 -1122.7271  1728.77   0.0000   0.0000 -1122.7271  1728.77  ?   ?    43.222   20.144 0.000000 20.14384 
1 1 1  -18   36    6 o  167.707   24.950 13736.60  3294.06 21109.43  9094.29 12623.24  3534.04  143.327   55.259  156.361   28.900 -13.03445 62.35978 
1 1 1  -18   36    7 o  114.788   29.316  7111.99  2742.13  8204.74  8992.71  6999.97  2879.25   98.708   45.983  112.313   30.697 -13.60481 55.28760 
1 1 1  -18   36    8 o  157.554   26.925 12883.18  3320.81 13834.31 10134.42 12768.77  3514.87  104.756   48.805  153.966   29.184 -49.21062 56.86485 
1 1 1  -18   36    9 o   50.838   22.630  148.686  1883.04  2426.64  7509.87  -4.1418  1945.19   79.724   38.492   50.541   22.712 29.18289 44.69290 
1 1 1  -18   36   10 o   73.435   27.728  3056.59  2259.48  9875.12  8860.94  2582.40  2336.73   88.499   42.494   69.484   27.642 19.01571 50.69323 
1 1 1  -18   36   11 o   77.684   28.366  3809.96  2328.44 12012.37  9242.39  3254.08  2406.04   84.824   41.355   72.633   28.305 12.19147 50.11390 
1 1 1  -18   36   12 o   43.193   20.186 -511.8766  1755.48  5279.93  9025.31 -739.6125  1789.66   70.510   35.435   42.459   20.012 28.05133 40.69580 
1 1 1  -18   36   13 o   76.478   28.778  4553.07  2429.02 -5012.4058 10188.87  5129.48  2501.14   58.876   30.260   80.650   29.406 -21.77328 42.19481 
1 1 1  -18   38    1 o  111.273   33.835  7406.65  3328.64   0.0000   0.0000  7406.65  3328.64  ?   ?   111.273   33.835 0.000000 33.83508 
1 1 1  -18   38    2 o   64.823   28.079  1193.25  2725.42   0.0000   0.0000  1193.25  2725.42  ?   ?    64.823   28.079 0.000000 28.07932 
1 1 1  -18   38    3 o   81.469   31.475  3685.06  2955.41   0.0000   0.0000  3685.06  2955.41  ?   ?    81.469   31.475 0.000000 31.47535 
1 1 1  -18   38    4 o  152.551   34.932 14093.95  4233.70   0.0000   0.0000 14093.95  4233.70  ?   ?   152.551   34.932 0.000000 34.93187 
1 1 1  -18   38    5 o  103.246   34.343  6954.73  3367.19   0.0000   0.0000  6954.73  3367.19  ?   ?   103.246   34.343 0.000000 34.34317 
1 1 1  -18   38    6 o   54.700   24.907   42.312  2433.45   0.0000   0.0000   42.312  2433.45  ?   ?    54.700   24.907 0.000000 24.90677 
1 1 1  -18   38    7 o   95.484   33.529  6361.39  3218.47 15081.91 11025.86  5549.13  3365.02   91.072   44.565   88.284   33.718 2.787529 55.88345 
1 1 1  -18   38    8 o  155.098   34.797 16295.85  4274.35 32715.64 12397.46 14080.70  4553.55  103.814   49.954  131.782   39.463 -27.96767 63.66108 
1 1 1  -18   38    9 o   43.812   20.929 -1216.0811  2090.07 -3839.6580 10458.01 -1106.9320  2133.10   65.613   33.500   44.645   21.276 20.96792 39.68545 
1 1 1  -18   38   10 o   67.463   28.466  3228.87  2671.14  9341.30 11449.24  2877.02  2746.95   69.848   35.608   65.219   28.220 4.629677 45.43512 
1 1 1  -18   38   11 o   56.282   25.293  1733.39  2412.77  6777.79 12718.24  1545.06  2457.40   63.137   32.501   55.403   25.150 7.733936 41.09558 
1 1 1  -18   40    1 o   52.963   25.870 -2647.9661  3665.45   0.0000   0.0000 -2647.9661  3665.45  ?   ?    52.963   25.870 0.000000 25.87024 
1 1 1  -18   40    2 o   64.825   30.349  1165.05  3997.12   0.0000   0.0000  1165.05  3997.12  ?   ?    64.825   30.349 0.000000 30.34884 
1 1 1  -18   40    3 o   53.859   26.346 -2421.3721  3843.13   0.0000   0.0000 -2421.3721  3843.13  ?   ?    53.859   26.346 0.000000 26.34623 
1 1 1  -18   40    4 o   61.732   28.554  1233.33  3374.42   0.0000   0.0000  1233.33  3374.42  ?   ?    61.732   28.554 0.000000 28.55370 
1 1 1  -18   40    5 o   78.501   32.896  5123.60  3527.49   0.0000   0.0000  5123.60  3527.49  ?   ?    78.501   32.896 0.000000 32.89606 
1 1 1  -18   40    6 o   82.826   32.697  5892.67  3246.15   0.0000   0.0000  5892.67  3246.15  ?   ?    82.826   32.697 0.000000 32.69669 
1 1 1  -18   40    7 o  110.851   39.502 13429.47  4482.36   0.0000   0.0000 13429.47  4482.36  ?   ?   110.851   39.502 0.000000 39.50225 
1 1 1  -18   40    8 o   79.111   33.157  6880.96  3584.83 17470.67 15759.02  6303.08  3681.34   65.300   33.722   75.262   32.618 -9.961777 46.91584 
1 1 1  -17    1    3 o  486.362   19.195 96541.35  7580.38 97857.59 13170.07 95889.27  9269.83  485.944   33.584  484.069   23.584 1.874329 41.03819 
1 1 1  -17    1    4 o  940.088   45.566 367705.41 34781.56 372763.59 49206.35 362654.50 49170.78  932.719   65.386  919.242   66.323 13.47687 93.13503 
1 1 1  -17    1    5 o  264.186   9.7272 28361.28  2086.59 28067.67  2943.98 28657.67  2957.83  262.326   13.871  265.083   13.790 -2.757294 19.55901 
1 1 1  -17    1    6 o  479.443   16.387 93526.93  6379.17 94457.40  9016.96 92594.58  9026.08  481.302   23.073  476.510   23.329 4.792664 32.81138 
1 1 1  -17    1    7 o  396.154   13.808 63801.86  4441.57 65083.27  6278.83 62518.41  6283.83  399.849   19.339  391.365   19.839 8.484161 27.70579 
1 1 1  -17    1    8 o  1332.94   64.608 741042.81 69925.69 737160.12 98883.78 744926.31 98895.94  1307.60   93.757  1314.92   93.232 -7.323242 132.2219 
1 1 1  -17    1    9 o  765.727   25.713 239109.09 15987.10 239284.80 22607.61 238933.50 22610.75  764.295   36.430  763.728   36.462 0.5671997 51.54205 
1 1 1  -17    1   10 o  966.432   32.459 382540.81 25470.59 395009.91 36018.71 370068.69 36023.00  977.978   45.359  946.046   46.895 31.93207 65.24250 
1 1 1  -17    1   11 f  197.637   7.7949 15870.20  1250.88 17233.99  1769.81 14508.89  1768.21  205.610   10.637  188.525   11.608 17.08488 15.74453 
1 1 1  -17    1   12 o  122.979   9.2002  6184.38  912.030  6800.35  1263.17  5513.58  1318.19  128.659   12.239  115.424   14.377 13.23492 18.88091 
1 1 1  -17    1   13 o  638.936   21.839 167676.50 11330.04 173389.91 16021.98 161961.50 16024.22  646.173   30.537  623.197   31.773 22.97595 44.06858 
1 1 1  -17    1   14 o   93.705   6.1606  3584.08  466.123  3041.88  656.731  4134.50  661.692   85.919   9.5767  100.488   8.1807 -14.56916 12.59510 
1 1 1  -17    1   15 o  584.524   20.082 140621.41  9531.28 145486.30 13479.10 135756.30 13479.42  590.718   28.102  569.318   29.258 21.39935 40.56827 
1 1 1  -17    1   16 o  293.907   10.817 35238.59  2581.39 36423.23  3652.86 34056.84  3648.42  297.744   15.160  287.765   15.674 9.978790 21.80545 
1 1 1  -17    1   17 o  338.044   12.276 46744.36  3369.56 46878.21  4762.57 46610.18  4767.98  336.802   17.475  335.810   17.547 0.9918518 24.76480 
1 1 1  -17    1   18 o  200.480   8.4249 16393.69  1371.43 16596.83  1931.57 16187.17  1947.52  200.913   11.893  198.354   12.151 2.558456 17.00269 
1 1 1  -17    1   19 o   97.799   7.8237  3931.30  616.075  3684.02  845.994  4210.49  898.939   94.012   11.310  100.615   11.193 -6.603004 15.91204 
1 1 1  -17    1   20 o   67.446   9.0565  1901.44  483.437  2275.25  662.683  1476.18  706.815   73.312   11.512   58.251   14.888 15.06096 18.81929 
1 1 1  -17    1   21 o  160.988   8.0067 10656.42  1046.61  9882.56  1478.15 11434.45  1482.13  153.423   11.960  165.461   11.096 -12.03773 16.31470 
1 1 1  -17    1   22 o   41.887   12.534  752.460  459.482  1048.61  634.112  425.061  666.724   49.056   14.735   38.218   14.898 10.83758 20.95391 
1 1 1  -17    1   23 o   74.649   10.001  2375.32  590.956  2413.45  806.044  2331.00  868.974   73.698   13.981   71.812   15.367 1.886192 20.77572 
1 1 1  -17    1   24 o   35.668   13.247  464.532  511.404 -124.9025  689.607  1184.81  762.316   31.001   13.753   50.908   16.302 -19.90646 21.32803 
1 1 1  -17    1   25 o   61.794   12.640  1750.54  612.820  1516.87  833.984  2024.80  903.502   55.501   16.949   63.874   17.087 -8.373322 24.06746 
1 1 1  -17    1   26 o   39.153   14.262  691.538  588.163 -327.9142  743.014  2402.39  962.542   28.972   13.400   67.080   17.491 -38.10889 22.03418 
1 1 1  -17    3    1 o  326.808   16.204 43532.84  4299.87 45189.40  6109.60 41907.03  6052.66  331.554   22.834  319.103   23.526 12.45114 32.78503 
1 1 1  -17    3    3 o  420.301   20.586 72111.11  7025.28 73238.04  9936.15 70984.59  9934.35  421.434   29.217  414.762   29.695 6.672150 41.65871 
1 1 1  -17    3    4 o  537.168   21.072 117714.00  9190.91 116089.40 15942.81 118522.70 11248.17  529.475   37.322  538.373   25.731 -8.897827 45.33274 
1 1 1  -17    3    5 o  373.446   13.419 56711.11  4068.85 58988.09  5748.73 54425.39  5759.73  380.586   18.603  364.999   19.505 15.58664 26.95393 
1 1 1  -17    3    6 o  427.192   14.820 74215.72  5140.47 74007.05  7260.10 74425.51  7279.39  426.227   20.978  427.431   20.974 -1.203491 29.66483 
1 1 1  -17    3    7 o  421.145   14.316 72109.77  4895.53 65890.28  6911.20 78373.05  6935.50  401.669   21.267  438.787   19.466 -37.11807 28.83064 
1 1 1  -17    3    8 o  1336.69   95.503 771472.62 102971.60   0.0000   0.0000 771472.62 102971.60  ?   ?   1336.69   95.503 0.000000 95.50343 
1 1 1  -17    3    9 o  1626.15   64.395 1104380.00 85025.30 1068037.00 147274.91 1122549.00 104131.90  1545.63  118.247  1628.24   78.764 -82.60413 142.0781 
1 1 1  -17    3   10 o  979.775   32.568 393394.00 25908.97 393657.69 36630.69 393129.91 36650.94  975.493   46.247  974.816   46.305 0.6768188 65.44378 
1 1 1  -17    3   11 o  697.332   23.649 198943.80 13390.56 215355.20 18927.67 182499.59 18946.56  723.151   32.235  663.895   35.274 59.25586 47.78449 
1 1 1  -17    3   12 o   36.634   12.117  518.658  419.362  986.289  552.102 -119.0914  644.752   48.509   13.515   31.261   13.599 17.24795 19.17241 
1 1 1  -17    3   13 o  122.363   6.2397  6100.40  617.888  5453.44  853.005  6814.61  896.248  115.416   9.1781  129.155   8.5954 -13.73977 12.57446 
1 1 1  -17    3   14 o  176.127   7.5977 12615.09  1086.54 14289.72  1525.14 10889.18  1548.32  187.064   10.078  163.025   11.776 24.03966 15.49995 
1 1 1  -17    3   15 f  297.951   10.806 36187.34  2614.25 36078.32  3683.48 36297.99  3710.88  296.505   15.352  297.395   15.420 -0.8900146 21.75985 
1 1 1  -17    3   16 o   72.454   7.0862  2156.02  411.545  2702.48  577.070  1590.44  587.085   80.966   8.9261   61.332   12.218 19.63457 15.13136 
1 1 1  -17    3   17 o  268.276   10.358 29379.84  2256.20 31367.07  3187.67 27384.93  3193.83  276.170   14.264  257.733   15.331 18.43652 20.94040 
1 1 1  -17    3   18 o  182.448   7.8448 13570.53  1162.14 14994.61  1632.68 12108.03  1654.56  191.174   10.559  171.460   11.959 19.71439 15.95365 
1 1 1  -17    3   19 o  165.248   7.9578 11158.65  1067.74 10595.66  1479.29 11770.96  1542.73  160.076   11.457  168.796   11.322 -8.720306 16.10725 
1 1 1  -17    3   20 o  127.611   8.1003  6703.45  834.966  5974.84  1157.17  7494.83  1205.98  119.416   12.101  134.161   11.172 -14.74564 16.47007 
1 1 1  -17    3   21 o   84.046   7.8524  2927.91  529.659  2758.69  717.972  3129.97  784.551   80.682   11.267   85.949   11.533 -5.266647 16.12304 
1 1 1  -17    3   22 o   65.507   11.142  1844.03  571.433  1600.41  719.535  2260.10  940.329   59.935   14.859   70.783   16.641 -10.84839 22.30991 
1 1 1  -17    3   23 o   23.253   10.612 -259.5091  444.973 -505.3867  579.864   92.658  693.971   24.841   11.607   33.885   14.414 -9.044024 18.50598 
1 1 1  -17    3   24 o   94.825   9.8126  3845.43  744.587  4122.29  988.908  3483.02  1131.44   96.488   12.949   86.237   16.762 10.25102 21.18155 
1 1 1  -17    3   25 o   56.498   12.762  1475.10  571.654  1094.31  725.899  2096.86  927.558   48.110   15.943   64.764   17.308 -16.65395 23.53157 
1 1 1  -17    3   26 f   33.973   13.348  426.360  538.549   54.956  704.281  949.328  835.720   31.730   13.996   44.385   16.839 -12.65534 21.89550 
1 1 1  -17    5    1 o  483.806   23.777 95697.24  9340.26 92467.91 13267.11 98870.73 13151.88  472.462   34.829  489.033   33.320 -16.57071 48.20071 
1 1 1  -17    5    3 o  725.188   50.674 220293.50 29650.98 220293.50 29650.98   0.0000   0.0000  725.188   50.674  ?   ?  0.000000 50.67438 
1 1 1  -17    5    4 o  390.335   19.199 62066.32  6084.77 58552.63  8608.20 65575.06  8602.12  377.340   28.302  399.718   26.657 -22.37869 38.87926 
1 1 1  -17    5    5 f  624.838   24.425 159275.09 12392.04 156030.50 21490.39 160891.41 15167.65  613.786   43.401  627.262   29.780 -13.47614 52.63558 
1 1 1  -17    5    6 o  1378.94   67.392 797372.31 75455.85 779468.31 106741.90 815255.38 106679.50  1335.98   99.106  1368.81   96.604 -32.82617 138.3997 
1 1 1  -17    5    7 o  1173.84   56.644 571310.31 53988.36 543781.19 76351.13 598839.31 76351.01  1128.58   83.919  1187.44   79.651 -58.85388 115.7005 
1 1 1  -17    5    8 o  106.694   6.1490  4638.08  530.447  4144.92  858.436  4942.69  674.664  100.438   10.691  110.056   7.5963 -9.617943 13.11453 
1 1 1  -17    5    9 o  729.255   24.766 216880.80 14664.70 220879.41 20723.85 212870.30 20754.22  734.351   34.756  720.784   35.462 13.56683 49.65402 
1 1 1  -17    5   10 o  593.896   19.874 143765.09  9583.86 139967.59 13538.92 147579.09 13568.38  584.775   28.514  600.581   27.824 -15.80646 39.83982 
1 1 1  -17    5   11 o  587.625   19.797 141042.09  9445.69 146944.09 13343.81 135114.50 13372.68  598.118   27.476  572.498   28.861 25.61945 39.84809 
1 1 1  -17    5   12 o  173.582   8.0495 12249.92  1134.52 11705.28  1378.91 13391.17  1996.05  169.314   10.076  180.733   13.704 -11.41943 17.00913 
1 1 1  -17    5   13 f  472.240   16.203 91151.00  6213.03 89560.21  8768.05 92755.27  8805.16  466.472   23.149  474.806   22.839 -8.333832 32.51963 
1 1 1  -17    5   14 o  213.301   8.4260 18510.80  1459.34 18098.94  2043.96 18939.06  2084.26  210.344   12.017  215.191   11.976 -4.846771 16.96593 
1 1 1  -17    5   15 o  395.704   13.847 64008.82  4449.12 62956.63  6273.55 65073.50  6310.62  390.547   19.849  397.630   19.546 -7.083618 27.85703 
1 1 1  -17    5   16 o  426.283   15.410 74535.45  5333.77 74695.12  7522.46 74374.01  7563.90  423.997   21.925  423.006   22.099 0.9914856 31.13010 
1 1 1  -17    5   17 o  133.133   6.8146  7232.37  734.189  6118.27  1021.16  8424.57  1056.34  121.973   10.410  143.449   9.1165 -21.47637 13.83793 
1 1 1  -17    5   18 o  105.908   6.8043  4587.64  582.032  4775.62  802.588  4379.13  845.307  107.733   9.2651  102.970   10.246 4.762932 13.81413 
1 1 1  -17    5   19 o  209.100   8.6495 17897.99  1468.54 17321.37  2036.10 18523.17  2120.10  204.490   12.320  211.461   12.402 -6.971039 17.48139 
1 1 1  -17    5   20 o  292.782   10.949 35469.91  2602.90 33833.75  3650.24 37162.50  3712.65  282.567   15.975  296.559   15.472 -13.99176 22.23927 
1 1 1  -17    5   21 o  177.307   8.3499 12950.95  1202.11 13935.00  1699.12 11964.76  1700.97  182.393   11.532  168.488   12.523 13.90462 17.02410 
1 1 1  -17    5   22 o  244.585   10.102 24962.82  2006.15 23505.56  2819.17 26457.80  2855.42  233.205   14.967  248.179   14.229 -14.97415 20.65172 
1 1 1  -17    5   23 o   66.751   10.468  1918.61  548.697  1119.42  688.695  3307.55  907.915   50.094   15.420   86.762   13.313 -36.66805 20.37175 
1 1 1  -17    5   24 o   85.979   9.3863  3158.22  644.631  3136.96  787.887  3201.26  1121.16   84.509   11.804   82.006   17.378 2.503052 21.00787 
1 1 1  -17    5   25 o   48.656   12.873  1103.76  516.441  796.695  614.981  1838.33  951.184   42.184   14.665   59.982   18.053 -17.79790 23.25891 
1 1 1  -17    5   26 o   27.186   11.411  141.667  425.564  541.391  491.516 -1055.2321  850.522   35.412   13.017   26.216   12.728 9.195856 18.20534 
1 1 1  -17    7    1 o  746.014   35.649 228637.70 21593.85 244996.30 30593.91 212397.50 30483.04  766.618   49.413  712.129   53.100 54.48914 72.53421 
1 1 1  -17    7    2 o  779.893   54.617 254761.30 34367.69 254761.30 34367.69   0.0000   0.0000  779.893   54.617  ?   ?  0.000000 54.61687 
1 1 1  -17    7    3 o  650.662   31.351 173303.91 16563.29 174282.80 23459.13 172330.80 23389.09  648.249   44.844  644.550   44.973 3.698730 63.51036 
1 1 1  -17    7    4 o  709.248   34.149 206079.30 19666.06 203929.09 27837.66 208221.70 27786.43  700.514   49.255  708.084   48.624 -7.570496 69.21215 
1 1 1  -17    7    5 o  625.186   30.121 159716.91 15290.34 159090.50 21648.02 160340.59 21599.68  620.387   43.246  622.902   42.969 -2.514954 60.96314 
1 1 1  -17    7    6 o  1009.95   48.620 420621.00 39870.64 413780.69 56404.30 427452.41 56366.93  991.007   70.557  1007.96   69.293 -16.94965 98.89336 
1 1 1  -17    7    7 o  485.092   19.821 95773.58  7807.08 80684.66 13564.04 103248.70  9547.02  442.150   38.155  503.422   23.356 -61.27118 44.73623 
1 1 1  -17    7    8 f  204.118   11.554 16984.49  1907.07   0.0000   0.0000 16984.49  1907.07  ?   ?   204.118   11.554 0.000000 11.55402 
1 1 1  -17    7    9 o  1142.67   38.289 536636.00 35524.88 555806.12 50230.93 517452.41 50248.60  1156.21   53.505  1114.60   55.522 41.61243 77.10736 
1 1 1  -17    7   10 o  704.710   23.869 203043.00 13657.74 207733.70 19302.78 198340.50 19327.18  710.401   33.464  693.912   34.302 16.48822 47.92181 
1 1 1  -17    7   11 o  194.574   9.0599 15393.29  1431.35 16570.83  2528.05 14837.70  1736.49  200.984   15.614  190.621   11.269 10.36301 19.25585 
1 1 1  -17    7   12 o  366.154   12.598 54632.71  3745.44 55184.34  5283.53 54075.48  5310.28  367.332   17.714  363.581   17.988 3.750641 25.24602 
1 1 1  -17    7   13 o  493.029   16.988 99457.89  6800.54 101006.90  9601.64 97898.73  9633.26  494.978   23.890  487.158   24.354 7.820496 34.11524 
1 1 1  -17    7   14 o  266.839   9.8033 28995.82  2124.02 29321.41  2987.86 28663.18  3020.03  267.583   13.799  264.503   14.113 3.080902 19.73784 
1 1 1  -17    7   15 o   77.537   6.5755  2462.29  410.078  2544.28  542.250  2352.75  626.762   78.582   8.6411   75.243   10.549 3.339157 13.63612 
1 1 1  -17    7   16 o   82.765   6.9643  2806.79  463.668  2598.53  597.367  3122.41  735.394   79.285   9.4665   86.832   10.654 -7.547424 14.25203 
1 1 1  -17    7   17 o  326.334   11.617 43567.48  3078.07 41454.21  4331.66 45723.02  4374.76  316.542   16.915  333.118   16.174 -16.57590 23.40300 
1 1 1  -17    7   18 o  398.346   14.263 65469.84  4613.42 62403.76  6496.67 68588.73  6552.40  384.906   20.865  404.642   19.943 -19.73596 28.86316 
1 1 1  -17    7   19 o  429.734   14.561 76918.25  5080.72 73748.57  7159.03 80134.72  7211.69  414.351   21.351  433.282   20.499 -18.93112 29.59870 
1 1 1  -17    7   20 o   73.848   8.0320  2263.94  473.851  2446.56  590.683  1934.24  793.663   76.425   9.7401   66.510   15.048 9.915565 17.92520 
1 1 1  -17    7   21 o   88.281   8.3597  3240.62  592.100  2561.42  742.766  4424.55  980.663   77.299   12.242  102.115   12.060 -24.81631 17.18489 
1 1 1  -17    7   22 o   99.705   8.2037  4139.97  658.257  4933.45  839.889  2876.45  1059.85  108.404   9.6427   79.705   16.901 28.69868 19.45800 
1 1 1  -17    7   23 o   19.046   8.9539 -357.1812  354.185 -243.7901  398.704 -781.5719  771.337   21.884   10.010   27.558   13.034 -5.673628 16.43444 
1 1 1  -17    7   24 o   52.807   10.798  1235.63  447.368  1431.34  519.260  671.971  881.216   56.579   11.690   43.459   17.074 13.12073 20.69215 
1 1 1  -17    7   25 o   42.029   12.489  816.196  457.352  749.965  517.895  1050.82  974.768   40.624   13.467   47.777   18.171 -7.153122 22.61724 
1 1 1  -17    7   26 o   42.730   12.575  887.352  465.558  1054.25  507.057  -8.8661  1175.01   46.298   12.970   37.281   17.100 9.016846 21.46280 
1 1 1  -17    9    1 o  999.547   48.128 412592.00 39060.79 384967.69 55212.46 440272.19 55268.18  953.275   71.860  1022.53   66.937 -69.25775 98.20551 
1 1 1  -17    9    2 o  770.699   53.785 247356.50 33446.92 247356.50 33446.92   0.0000   0.0000  770.699   53.785  ?   ?  0.000000 53.78540 
1 1 1  -17    9    3 o  1053.32   74.178 470029.91 63036.00 470029.91 63036.00   0.0000   0.0000  1053.32   74.178  ?   ?  0.000000 74.17761 
1 1 1  -17    9    4 o  728.374   35.340 217207.41 20900.61 205396.41 29602.33 228947.80 29513.71  702.987   52.234  743.346   49.176 -40.35889 71.74058 
1 1 1  -17    9    5 o  1469.27  106.359 944144.69 126027.60 944144.69 126027.60   0.0000   0.0000  1469.27  106.359  ?   ?  0.000000 106.3588 
1 1 1  -17    9    6 o  830.395   39.903 282760.81 26905.04 280855.31 38085.59 284659.09 38013.47  821.339   57.471  827.090   56.951 -5.750488 80.90908 
1 1 1  -17    9    7 o  1359.13   53.834 764412.38 59409.47 785661.12 102980.80 753813.00 72733.01  1348.76   94.633  1342.89   66.704 5.878052 115.7791 
1 1 1  -17    9    8 o  462.284   19.254 87014.75  7227.31 76996.78 12595.64 91932.04  8824.56  431.787   36.262  474.881   22.886 -43.09436 42.88017 
1 1 1  -17    9    9 o  569.832   23.172 132598.50 10721.50 124300.80 18645.18 136697.50 13104.84  546.462   42.352  577.811   27.932 -31.34851 50.73368 
1 1 1  -17    9   10 o  761.867   30.107 239058.30 18624.74 249961.30 32328.01 233641.59 22786.27  766.591   52.248  750.285   37.403 16.30615 64.25654 
1 1 1  -17    9   11 o  689.984   27.378 196398.41 15338.35 196693.50 26633.07 196251.91 18762.26  677.455   48.743  686.953   33.637 -9.497742 59.22306 
1 1 1  -17    9   12 o  376.820   15.301 57985.65  4681.60 61888.36  8179.14 56084.03  5709.36  386.270   26.234  369.510   19.095 16.76010 32.44707 
1 1 1  -17    9   13 o  389.951   13.489 62060.83  4270.85 60402.20  6029.88 63730.52  6049.97  383.143   19.446  394.164   18.903 -11.02045 27.11993 
1 1 1  -17    9   14 o  305.581   10.774 38061.21  2673.35 34634.25  3765.47 41544.11  3796.08  290.371   16.033  318.718   14.669 -28.34662 21.73074 
1 1 1  -17    9   15 o  294.056   10.632 35266.93  2538.42 34730.75  3569.42 35815.58  3610.68  290.736   15.173  295.267   15.111 -4.531952 21.41401 
1 1 1  -17    9   16 o   84.412   6.6608  2917.06  452.821  3680.31  595.836  1873.55  696.699   94.749   7.8146   66.477   13.371 28.27250 15.48680 
1 1 1  -17    9   17 o  298.930   10.911 36551.62  2648.26 35831.23  3724.16 37288.53  3766.62  294.417   15.635  300.407   15.495 -5.990387 22.01203 
1 1 1  -17    9   18 o  205.158   8.4648 17201.29  1410.07 16857.95  1978.60 17555.63  2010.06  202.055   12.116  206.224   12.057 -4.168823 17.09266 
1 1 1  -17    9   19 o  189.141   8.6244 14672.84  1324.50 15985.83  1832.04 13235.07  1917.11  196.315   11.544  177.910   13.369 18.40541 17.66330 
1 1 1  -17    9   20 o   57.192   9.1290  1380.34  409.679  774.449  483.772  2916.50  770.300   42.772   12.875   82.941   11.768 -40.16929 17.44295 
1 1 1  -17    9   21 o   42.165   11.274  769.534  393.465  892.523  428.652  111.331  991.633   45.311   11.601   40.298   17.188 5.013523 20.73641 
1 1 1  -17    9   22 o   62.902   9.6093  1686.22  475.218  1890.60  553.419  1112.45  927.279   66.356   10.630   51.496   18.002 14.85991 20.90610 
1 1 1  -17    9   23 o   35.752   11.702  534.663  391.531  493.576  436.156  705.189  888.557   35.313   12.346   44.622   17.253 -9.308506 21.21545 
1 1 1  -17    9   24 o   55.418   11.347  1374.28  493.382  1393.33  544.332  1286.59  1167.98   55.366   12.415   53.077   19.959 2.288879 23.50487 
1 1 1  -17    9   25 o   35.100   12.027  535.703  412.912  454.802  451.112  953.609  1025.29   33.749   12.460   46.331   18.348 -12.58226 22.17912 
1 1 1  -17   11    1 o  2119.92  168.592 2158949.00 287800.41   0.0000   0.0000 2158949.00 287800.41  ?   ?   2119.92  168.592 0.000000 168.5922 
1 1 1  -17   11    2 o  697.094   33.987 198717.20 19237.46 187276.30 27258.13 210070.70 27153.91  672.059   50.317  712.860   47.179 -40.80103 68.97591 
1 1 1  -17   11    3 o  969.448   67.772 394173.09 53011.91 394173.09 53011.91   0.0000   0.0000  969.448   67.772  ?   ?  0.000000 67.77219 
1 1 1  -17   11    4 o  1260.15   61.208 659530.31 62628.25 645880.69 88635.92 673139.19 88503.69  1228.68   89.459  1255.94   87.330 -27.26501 125.0177 
1 1 1  -17   11    5 o  211.162   12.281 18180.91  2096.53 13543.31  3019.87 22495.85  2912.92  181.203   20.909  234.720   15.369 -53.51712 25.94960 
1 1 1  -17   11    6 o  575.259   27.811 135054.09 12990.22 137367.59 18430.12 132770.20 18312.33  577.318   39.555  567.434   40.002 9.884033 56.25603 
1 1 1  -17   11    7 o  317.110   22.978 41209.82  5876.32   0.0000   0.0000 41209.82  5876.32  ?   ?   317.110   22.978 0.000000 22.97806 
1 1 1  -17   11    8 o  689.836   26.436 194644.59 14807.23 223816.91 25766.57 180260.30 18093.21  733.897   43.433  661.467   33.800 72.43030 55.03542 
1 1 1  -17   11    9 o  169.748   8.5747 11741.04  1178.03 10371.42  2174.49 12310.00  1401.51  158.564   17.163  173.714   9.9781 -15.14957 19.85296 
1 1 1  -17   11   10 o  578.499   22.643 137279.41 10635.72 155316.70 18532.53 128421.20 12987.35  608.755   37.679  557.047   28.812 51.70752 47.43232 
1 1 1  -17   11   11 o  516.720   24.764 109987.40 10390.03 119660.80 14796.61 100578.40 14592.95  534.437   34.279  488.505   37.067 45.93155 50.48736 
1 1 1  -17   11   12 o   81.801   7.6125  2744.35  499.813  846.601  1013.03  3354.95  574.622   50.902   18.691   90.485   7.9003 -39.58326 20.29226 
1 1 1  -17   11   13 o  181.057   9.0445 13343.41  1329.65 11609.17  2446.45 14070.47  1584.04  167.247   18.315  185.540   10.558 -18.29353 21.14008 
1 1 1  -17   11   14 o   59.754   9.7253  1491.96  455.626  476.353  974.033  1776.43  515.502   45.409   17.915   65.274   10.049 -19.86519 20.54109 
1 1 1  -17   11   15 o  151.821   6.9428  9377.91  855.868  8667.09  1188.42 10143.80  1233.60  145.431   10.127  157.444   9.6968 -12.01343 14.02108 
1 1 1  -17   11   16 o  191.879   8.3024 15003.54  1293.52 14810.30  1811.95 15204.35  1847.17  189.919   11.809  192.424   11.881 -2.505630 16.75084 
1 1 1  -17   11   17 o  247.561   9.6899 25053.81  1947.79 23791.82  2739.15 26344.65  2770.28  239.922   14.123  252.680   13.552 -12.75890 19.57332 
1 1 1  -17   11   18 o  169.229   7.9828 11708.91  1096.90 11848.74  1509.16 11552.33  1597.07  169.352   11.035  166.989   11.856 2.362900 16.19691 
1 1 1  -17   11   19 o   18.599   8.3751 -132.6177  266.109 -31.7515  293.187 -604.2677  633.989   21.369   9.2331   25.869   12.103 -4.499636 15.22290 
1 1 1  -17   11   20 o  145.816   7.7974  8763.14  919.853  8503.91  1263.35  9055.63  1341.94  142.588   10.997  147.036   11.327 -4.448090 15.78736 
1 1 1  -17   11   21 o  183.480   8.7043 13937.91  1296.76 11438.03  1754.72 16946.05  1924.85  163.632   13.323  200.327   11.887 -36.69496 17.85464 
1 1 1  -17   11   22 o  131.700   8.2782  7229.98  880.733  6882.04  1148.77  7726.12  1371.78  127.092   11.248  133.822   12.780 -6.729561 17.02502 
1 1 1  -17   11   23 o   90.266   8.8160  3450.10  637.904  2977.43  745.070  4747.90  1234.58   82.661   11.405  102.183   15.355 -19.52248 19.12678 
1 1 1  -17   11   24 o   39.142   11.851  686.815  409.006  607.577  435.049  1289.85  1200.17   37.350   12.341   52.643   20.129 -15.29288 23.61092 
1 1 1  -17   11   25 o   40.873   11.911  782.926  419.504  679.611  446.186  1570.07  1231.58   38.370   12.489   53.293   20.388 -14.92318 23.90895 
1 1 1  -17   13    1 o  907.782   35.901 337135.91 26462.03 338352.59 45872.76 336529.19 32395.40  900.190   63.160  905.211   44.075 -5.021240 77.01818 
1 1 1  -17   13    2 o  1877.07  142.280 1612396.00 215240.09   0.0000   0.0000 1612396.00 215240.09  ?   ?   1877.07  142.280 0.000000 142.2802 
1 1 1  -17   13    3 o  1089.70   52.808 490545.50 46724.33 480894.00 66152.10 500153.91 66004.50  1066.22   76.928  1088.45   75.144 -22.22729 107.5387 
1 1 1  -17   13    4 o  310.008   16.609 39200.48  4165.50 33336.57  5958.24 44806.59  5825.80  284.733   26.061  330.976   21.800 -46.24338 33.97658 
1 1 1  -17   13    5 o  274.651   15.142 30769.93  3363.70 25157.45  4831.51 36048.99  4685.81  247.198   24.389  296.923   19.545 -49.72420 31.25446 
1 1 1  -17   13    6 o  278.062   20.799 31685.80  4661.88   0.0000   0.0000 31685.80  4661.88  ?   ?   278.062   20.799 0.000000 20.79882 
1 1 1  -17   13    7 o  787.661   38.114 256191.59 24375.96 260363.09 34557.71 252060.91 34388.54  785.478   54.522  772.438   55.193 13.03979 77.58131 
1 1 1  -17   13    8 f  651.870   28.796 174770.09 15241.62 148952.20 26562.52 187443.09 18610.16  588.952   56.229  672.499   34.194 -83.54736 65.80989 
1 1 1  -17   13    9 o  287.243   12.775 33607.55  2979.62 31723.34  5336.25 34461.15  3591.67  276.931   23.968  290.264   15.293 -13.33276 28.43137 
1 1 1  -17   13   10 o  248.790   12.676 25288.40  2552.12 29777.87  3781.28 21532.16  3458.74  269.327   17.384  228.600   18.801 40.72719 25.60583 
1 1 1  -17   13   11 o  422.066   17.020 72875.82  5832.71 74032.63 10272.49 72325.42  7085.69  420.955   30.256  419.684   20.793 1.271576 36.71195 
1 1 1  -17   13   12 o  274.876   12.286 30815.47  2742.19 26095.48  4916.92 32946.33  3303.69  250.124   24.526  283.623   14.393 -33.49902 28.43709 
1 1 1  -17   13   13 f  140.879   8.1112  8102.88  923.914  7354.03  1772.39  8382.29  1082.65  132.904   16.799  143.165   9.3651 -10.26064 19.23336 
1 1 1  -17   13   14 o  352.357   14.916 50872.37  4267.48 47741.30  7577.58 52326.68  5164.32  336.424   27.994  356.206   17.913 -19.78186 33.23452 
1 1 1  -17   13   15 o  220.873   10.499 19914.28  1882.96 19714.82  3478.17 19996.98  2239.53  217.374   19.928  220.726   12.548 -3.352249 23.54939 
1 1 1  -17   13   16 o  147.884   8.9135  8955.54  1065.30 10872.51  2121.28  8309.02  1231.91  161.482   16.406  142.141   10.753 19.34015 19.61633 
1 1 1  -17   13   17 o  229.423   11.132 21611.87  2073.69 22060.31  3836.36 21426.76  2464.80  227.704   20.986  227.490   13.403 0.2131042 24.90073 
1 1 1  -17   13   18 o  307.405   13.813 39343.34  3447.74 41418.27  6340.95 38472.44  4108.06  305.282   25.823  301.756   16.834 3.526154 30.82524 
1 1 1  -17   13   19 o   51.126   15.166  1124.11  674.880  3327.60  1975.19  832.866  718.097   84.690   26.122   46.025   15.855 38.66491 30.55702 
1 1 1  -17   13   20 o   70.011   7.8728  2042.29  439.780  2016.10  540.898  2093.39  755.397   69.041   9.9349   69.183   13.929 -0.1422958 17.10930 
1 1 1  -17   13   21 o   62.521   8.9750  1654.39  442.548  1788.61  511.219  1253.06  884.018   64.741   10.051   53.598   17.586 11.14261 20.25550 
1 1 1  -17   13   22 o   63.437   9.5867  1723.33  478.395  1457.27  530.709  2876.80  1105.01   57.517   11.761   78.406   17.768 -20.88898 21.30770 
1 1 1  -17   13   23 o   98.009   8.5827  4069.07  676.127  4822.74  814.818  2402.89  1211.53  106.251   9.5466   68.897   20.289 37.35401 22.42283 
1 1 1  -17   13   24 o   47.952   20.838  684.549  1510.55   0.0000   0.0000  684.549  1510.55  ?   ?    47.952   20.838 0.000000 20.83776 
1 1 1  -17   13   25 o   72.714   23.663  3598.68  1601.79   0.0000   0.0000  3598.68  1601.79  ?   ?    72.714   23.663 0.000000 23.66308 
1 1 1  -17   15    1 f  896.656   35.548 329468.59 25881.18 300486.31 44892.73 343896.69 31674.87  844.453   65.998  914.209   42.671 -69.75604 78.59062 
1 1 1  -17   15    2 f  891.079   35.603 325519.31 25760.06 299491.41 44643.12 338511.00 31540.53  842.610   65.772  906.718   42.841 -64.10779 78.49431 
1 1 1  -17   15    3 o  1137.57   56.306 539321.81 52008.63 487271.09 73628.05 591156.00 73474.80  1060.14   86.283  1175.39   77.421 -115.2423 115.9257 
1 1 1  -17   15    4 o  563.207   27.213 129695.90 12444.50 140978.00 17694.84 118654.50 17505.04  584.187   37.502  534.924   40.606 49.26392 55.27415 
1 1 1  -17   15    5 o  360.307   26.248 53400.04  7626.15   0.0000   0.0000 53400.04  7626.15  ?   ?   360.307   26.248 0.000000 26.24767 
1 1 1  -17   15    6 o  458.939   22.699 86140.13  8458.68 89424.15 12067.43 82968.03 11860.02  464.836   32.170  447.471   32.873 17.36481 45.99496 
1 1 1  -17   15    7 o  429.744   20.959 75562.72  7313.42 85477.22 10451.15 66049.21 10237.62  454.737   28.448  398.549   31.903 56.18842 42.74477 
1 1 1  -17   15    8 f  155.761   10.557  9918.12  1327.26  9600.92  2004.46 10165.78  1771.18  152.474   16.451  157.297   14.014 -4.823624 21.61133 
1 1 1  -17   15    9 o  316.274   12.096 40750.26  3106.18 49563.46  5615.60 36865.11  3728.49  347.209   20.004  300.119   15.352 47.08997 25.21549 
1 1 1  -17   15   10 o   55.213   7.7902  1264.02  339.537  382.880  781.232  1469.22  377.005   40.783   16.059   59.577   7.9952 -18.79380 17.93932 
1 1 1  -17   15   11 o  392.764   16.398 63131.84  5229.65 59333.99  9289.22 64894.10  6327.69  375.888   30.704  397.528   19.604 -21.63983 36.42839 
1 1 1  -17   15   12 o  289.745   12.665 34271.46  2979.60 31293.52  5412.54 35566.33  3569.08  273.758   24.613  294.475   14.976 -20.71649 28.81117 
1 1 1  -17   15   13 o  164.771   9.1940 11093.73  1225.15  7761.18  2374.88 12302.24  1430.14  135.221   22.415  173.417   10.202 -38.19603 24.62749 
1 1 1  -17   15   14 o  149.872   8.4525  9178.62  1024.40 10789.14  2052.24  8644.17  1182.22  161.314   15.874  145.224   10.088 16.08968 18.80828 
1 1 1  -17   15   15 o  132.856   8.7106  7228.15  934.452  8206.97  1993.51  6952.51  1057.87  139.784   17.981  130.092   10.094 9.692032 20.62035 
1 1 1  -17   15   16 o  177.382   9.9687 12915.45  1429.96  9972.97  2833.55 13920.88  1656.34  151.763   23.776  183.933   11.143 -32.17015 26.25727 
1 1 1  -17   15   17 o   22.918   10.855 -634.2717  538.621 -1306.8010  1761.65 -564.9193  565.712   44.424   20.577   24.315   11.394 20.10836 23.52130 
1 1 1  -17   15   18 f  134.327   10.467  7495.94  1132.57  8571.86  2637.15  7252.62  1254.12  137.324   24.552  131.693   11.856 5.631577 27.26464 
1 1 1  -17   15   19 o  138.940   10.267  8046.01  1150.10 13375.43  2848.29  7007.80  1257.14  173.243   20.656  128.940   12.151 44.30394 23.96451 
1 1 1  -17   15   20 o   90.159   12.999  3503.65  924.083  4109.95  2227.24  3377.58  1015.62   90.504   27.709   87.778   14.775 2.725929 31.40184 
1 1 1  -17   15   21 o  137.805   12.084  8129.67  1338.45  8326.67  2962.06  8079.12  1500.36  124.620   29.695  136.363   13.738 -11.74223 32.71880 
1 1 1  -17   15   22 o  129.318   12.792  7314.81  1325.60  6779.54  3133.44  7431.48  1462.96  103.243   33.049  129.335   14.162 -26.09153 35.95610 
1 1 1  -17   15   23 o   59.038   21.519  1768.91  1339.15   0.0000   0.0000  1768.91  1339.15  ?   ?    59.038   21.519 0.000000 21.51868 
1 1 1  -17   15   24 o   41.853   19.234 -45.2739  1496.20   0.0000   0.0000 -45.2739  1496.20  ?   ?    41.853   19.234 0.000000 19.23405 
1 1 1  -17   17    1 o  367.764   16.100 55087.71  4807.70 38413.81  8412.21 63175.64  5858.82  303.425   34.772  393.649   18.330 -90.22418 39.30764 
1 1 1  -17   17    2 f  752.115   29.909 232346.80 18265.24 200985.41 31691.34 247946.09 22350.88  686.883   57.347  775.115   35.513 -88.23206 67.45253 
1 1 1  -17   17    3 o  679.148   48.458 194395.20 26546.70   0.0000   0.0000 194395.20 26546.70  ?   ?   679.148   48.458 0.000000 48.45824 
1 1 1  -17   17    4 o  425.468   21.595 74224.62  7435.83 77865.70 10638.37 70746.56 10397.47  433.744   30.399  413.123   31.227 20.62094 43.57990 
1 1 1  -17   17    5 o  401.004   20.225 65932.33  6564.17 72513.22  9410.92 59697.11  9160.44  418.802   27.833  379.248   29.993 39.55359 40.91753 
1 1 1  -17   17    6 o  466.644   23.183 89379.76  8783.89 94318.00 12547.19 84633.37 12301.04  475.766   32.678  450.120   33.906 25.64630 47.09005 
1 1 1  -17   17    7 o  302.066   15.869 37353.36  3878.63 42363.14  5623.53 32807.83  5356.63  320.625   21.729  281.560   23.650 39.06488 32.11647 
1 1 1  -17   17    8 o  198.222   11.972 16065.47  1917.78 19436.36  2850.23 13276.93  2592.36  217.507   16.256  179.242   18.058 38.26454 24.29734 
1 1 1  -17   17    9 o  239.460   11.067 23356.59  2151.82 33354.69  3357.28 16385.58  2803.34  285.454   14.533  199.329   17.498 86.12540 22.74596 
1 1 1  -17   17   10 o  273.082   11.920 30406.28  2643.03 28382.31  4889.76 31241.70  3141.50  261.278   23.293  276.226   14.053 -14.94821 27.20386 
1 1 1  -17   17   11 o  291.107   12.405 34587.09  2932.19 35643.06  5388.69 34142.92  3494.89  292.834   22.844  288.505   14.971 4.328674 27.31236 
1 1 1  -17   17   12 o  198.621   10.537 16131.50  1693.33 11353.82  3283.11 17863.09  1976.51  163.314   25.600  208.871   11.701 -45.55721 28.14743 
1 1 1  -17   17   13 o  461.050   18.450 87653.95  6907.03 90502.00 12297.44 86341.45  8348.21  459.605   33.176  455.846   22.555 3.759399 40.11663 
1 1 1  -17   17   14 o  146.760   8.6261  8810.81  1023.41 10573.99  2209.29  8329.10  1154.77  159.146   17.379  142.482   10.046 16.66391 20.07394 
1 1 1  -17   17   15 o  107.651   8.9159  4764.62  772.318  4720.49  1842.46  4774.03  850.659  104.031   22.469  107.611   9.8446 -3.580429 24.53122 
1 1 1  -17   17   16 o  209.485   10.692 18079.65  1812.52 17928.07  3536.94 18133.64  2110.73  204.092   21.675  209.249   12.480 -5.156509 25.01117 
1 1 1  -17   17   17 o  110.048   10.227  5032.90  903.411  5889.75  2505.94  4904.90  968.540  112.278   27.667  108.387   11.165 3.890404 29.83460 
1 1 1  -17   17   18 o   43.527   14.548  763.492  604.063  4358.42  2249.59  484.144  627.094   95.442   27.517   38.778   14.616 56.66443 31.15760 
1 1 1  -17   17   19 o  128.176   11.070  6908.24  1140.79  5944.19  2705.57  7116.69  1258.09  108.072   29.847  129.686   12.087 -21.61393 32.20153 
1 1 1  -17   17   20 o  109.259   12.983  5146.72  1129.20  5162.45  3100.70  5144.32  1212.46   96.165   32.957  108.699   14.067 -12.53387 35.83354 
1 1 1  -17   17   21 o   78.977   16.716  2879.19  1038.54  2068.24  2702.54  3019.69  1124.91   69.458   28.924   80.373   17.715 -10.91517 33.91759 
1 1 1  -17   17   22 o   29.155   13.924 -1007.7630  924.122  3752.67  2623.72 -1681.9700  987.396   77.875   29.766   27.036   13.252 50.83930 32.58257 
1 1 1  -17   17   23 o   98.836   23.065  5500.81  1817.25   0.0000   0.0000  5500.81  1817.25  ?   ?    98.836   23.065 0.000000 23.06540 
1 1 1  -17   17   24 f   42.680   19.063  465.517  1348.30   0.0000   0.0000  465.517  1348.30  ?   ?    42.680   19.063 0.000000 19.06292 
1 1 1  -17   19    1 o  776.481   38.021 251556.70 23971.21   0.0000   0.0000 251556.70 23971.21  ?   ?   776.481   38.021 0.000000 38.02079 
1 1 1  -17   19    2 o  427.409   18.090 74642.20  6277.91 64241.14 10965.42 79713.80  7657.01  391.701   34.841  441.131   21.377 -49.43082 40.87648 
1 1 1  -17   19    3 o  708.324   27.725 206896.50 15945.69 208045.00 27673.34 206325.59 19510.18  697.311   49.192  704.551   34.104 -7.239746 59.85752 
1 1 1  -17   19    4 o  786.362   39.104 259254.80 24967.84 260574.30 35449.54 257956.00 35171.82  773.198   56.864  769.441   56.696 3.757324 80.29929 
1 1 1  -17   19    5 o  430.530   22.057 76269.61  7684.72 79399.70 11037.03 73324.36 10706.20  436.372   31.359  419.146   31.692 17.22623 44.58452 
1 1 1  -17   19    6 o  285.883   15.779 33479.59  3648.48 36062.53  5331.43 31204.52  5003.62  295.443   22.391  274.650   22.639 20.79333 31.84132 
1 1 1  -17   19    7 o  344.584   18.178 48752.41  5067.95 51465.77  7334.13 46272.82  7011.10  352.100   25.834  333.697   26.083 18.40347 36.71131 
1 1 1  -17   19    8 o  470.142   35.314 93393.17 13382.32 93393.17 13382.32   0.0000   0.0000  470.142   35.314  ?   ?  0.000000 35.31408 
1 1 1  -17   19    9 o  359.544   19.404 53258.00  5643.79 50356.99  8175.09 55899.64  7801.07  346.349   29.346  366.144   26.417 -19.79449 39.48471 
1 1 1  -17   19   10 o  204.897   11.198 17171.00  1855.94 12247.44  3623.49 18922.08  2160.92  169.497   27.252  214.943   12.435 -45.44543 29.95477 
1 1 1  -17   19   11 o  238.389   12.026 23264.90  2320.21 17103.21  4448.64 25567.31  2719.37  200.306   28.128  249.680   13.463 -49.37378 31.18378 
1 1 1  -17   19   12 o  206.024   10.568 17366.72  1761.99 14798.28  3467.19 18260.99  2045.87  187.236   23.311  211.045   11.988 -23.80838 26.21280 
1 1 1  -17   19   13 o  110.889   8.2112  5038.25  734.068  3764.60  1689.13  5334.80  815.059   93.164   22.568  114.039   8.8722 -20.87508 24.24919 
1 1 1  -17   19   14 o   43.280   11.638  794.120  417.831  948.501  1418.31  779.448  437.235   56.840   21.847   42.988   12.045 13.85162 24.94718 
1 1 1  -17   19   15 o  203.810   10.983 17122.19  1810.79 14785.39  3696.81 17859.84  2077.02  183.361   25.522  207.750   12.369 -24.38960 28.36165 
1 1 1  -17   19   16 o   46.172   14.346  889.221  594.551  2203.77  1971.74  757.743  623.575   73.550   26.201   43.834   14.781 29.71584 30.08223 
1 1 1  -17   19   17 o  226.230   12.046 21368.47  2204.81 18554.54  4451.63 22283.10  2537.97  198.918   28.365  230.145   13.642 -31.22720 31.47528 
1 1 1  -17   19   18 o  100.344   10.698  4234.61  858.213  3301.77  2625.70  4346.19  908.089   83.778   30.193  101.504   11.205 -17.72607 32.20536 
1 1 1  -17   19   19 o  147.163   11.709  9173.44  1387.57  8892.00  3462.32  9227.30  1514.52  127.688   33.115  147.000   12.817 -19.31207 35.50914 
1 1 1  -17   19   20 o  164.853   11.841 11617.89  1574.38 10747.79  3710.07 11808.98  1738.69  136.089   33.742  165.322   13.059 -29.23289 36.18117 
1 1 1  -17   19   21 o   39.036   16.374  287.730  875.330  1245.87  3345.04  217.297  906.932   65.645   29.614   38.775   16.485 26.87016 33.89349 
1 1 1  -17   19   22 o   59.095   23.165  1773.22  1618.89   0.0000   0.0000  1773.22  1618.89  ?   ?    59.095   23.165 0.000000 23.16536 
1 1 1  -17   19   23 o   54.094   22.764  1571.55  1700.87   0.0000   0.0000  1571.55  1700.87  ?   ?    54.094   22.764 0.000000 22.76439 
1 1 1  -17   21    1 o  561.421   41.831 133747.00 18932.16   0.0000   0.0000 133747.00 18932.16  ?   ?   561.421   41.831 0.000000 41.83120 
1 1 1  -17   21    2 o  557.400   41.778 131937.70 18770.70   0.0000   0.0000 131937.70 18770.70  ?   ?   557.400   41.778 0.000000 41.77781 
1 1 1  -17   21    3 f  384.948   21.064 60982.61  6558.92   0.0000   0.0000 60982.61  6558.92  ?   ?   384.948   21.064 0.000000 21.06404 
1 1 1  -17   21    4 o  446.096   23.049 82087.46  8320.05   0.0000   0.0000 82087.46  8320.05  ?   ?   446.096   23.049 0.000000 23.04865 
1 1 1  -17   21    5 o  108.538   15.083  4902.38  1293.33   0.0000   0.0000  4902.38  1293.33  ?   ?   108.538   15.083 0.000000 15.08314 
1 1 1  -17   21    7 o  305.788   16.452 38390.02  4069.83 46508.81  6001.87 31479.27  5537.37  335.206   22.177  274.697   25.104 60.50955 33.49635 
1 1 1  -17   21    8 o  249.002   15.159 25461.09  3050.19 24707.77  4574.04 26064.32  4093.14  243.361   23.438  250.838   20.270 -7.477661 30.98702 
1 1 1  -17   21    9 o  188.210   13.307 14548.57  2020.40 14340.49  3182.76 14689.01  2614.80  185.131   21.578  188.384   17.287 -3.252350 27.64894 
1 1 1  -17   21   10 o  323.840   13.310 42897.33  3499.70 46168.82  6570.90 41601.81  4134.99  332.159   24.537  317.977   16.068 14.18295 29.32986 
1 1 1  -17   21   11 o  556.154   21.445 128392.60  9684.32 133267.50 17290.81 126164.30 11689.90  551.921   38.831  548.312   26.257 3.609131 46.87492 
1 1 1  -17   21   12 o  392.675   15.479 63487.32  4935.37 69173.96  9116.31 61129.59  5869.99  402.667   28.058  384.031   18.825 18.63556 33.78802 
1 1 1  -17   21   13 o  229.929   10.461 21644.87  1952.98 25637.63  3964.60 20365.55  2244.15  246.795   19.955  222.299   12.484 24.49580 23.53831 
1 1 1  -17   21   14 o  125.984   9.0139  6531.43  915.987  5326.84  2148.90  6798.90  1012.59  109.096   24.818  128.399   9.7862 -19.30281 26.67801 
1 1 1  -17   21   15 o   97.841   9.5015  3970.81  745.312  4009.72  2610.73  3967.36  777.676   93.399   30.196   97.700   9.9416 -4.301155 31.79002 
1 1 1  -17   21   16 o  289.712   13.822 35206.48  3251.56 36716.63  6574.65 34717.53  3741.10  279.614   29.399  285.594   16.200 -5.980469 33.56656 
1 1 1  -17   21   17 o  187.688   10.760 14699.58  1632.87 17221.23  3806.08 14130.76  1807.68  192.610   24.921  183.294   12.216 9.315994 27.75398 
1 1 1  -17   21   18 o   90.093   12.770  3494.43  908.007  3318.35  2987.41  3512.35  953.098   83.017   31.754   90.057   13.446 -7.040466 34.48389 
1 1 1  -17   21   19 o   86.657   14.027  3309.72  953.228  2285.68  3231.73  3407.30  997.612   74.418   31.351   87.717   14.514 -13.29930 34.54805 
1 1 1  -17   21   20 o   36.824   15.437  226.433  777.345  4024.36  3239.75  -5.5737  800.736   81.701   32.534   34.684   15.121 47.01660 35.87580 
1 1 1  -17   21   21 o   36.368   16.051 -11.0893  927.724 -4335.2778  3634.96  290.209  959.500   48.775   24.190   39.790   16.937 8.984867 29.53004 
1 1 1  -17   21   22 o   49.652   21.696  862.261  1656.96   0.0000   0.0000  862.261  1656.96  ?   ?    49.652   21.696 0.000000 21.69571 
1 1 1  -17   21   23 f   42.601   19.836  167.433  1670.22   0.0000   0.0000  167.433  1670.22  ?   ?    42.601   19.836 0.000000 19.83617 
1 1 1  -17   23    1 o  489.932   25.628 99490.34 10159.50   0.0000   0.0000 99490.34 10159.50  ?   ?   489.932   25.628 0.000000 25.62772 
1 1 1  -17   23    2 o  171.086   11.826 11986.94  1632.80 13764.91  3037.24 11264.23  1936.42  181.842   20.954  165.442   14.563 16.40010 25.51783 
1 1 1  -17   23    3 o  315.034   15.171 40565.70  3880.80 36770.41  6874.27 42341.11  4701.69  296.002   28.973  320.898   18.119 -24.89563 34.17225 
1 1 1  -17   23    4 o  195.893   16.552 15819.94  2608.12 13197.05  3543.62 18920.15  3852.59  176.850   25.407  213.064   22.615 -36.21347 34.01417 
1 1 1  -17   23    5 o  162.763   21.999 11112.89  2832.87 11112.89  2832.87   0.0000   0.0000  162.763   21.999  ?   ?  0.000000 21.99920 
1 1 1  -17   23    6 o  114.071   22.883  5562.83  2045.76  5562.83  2045.76   0.0000   0.0000  114.071   22.883  ?   ?  0.000000 22.88327 
1 1 1  -17   23   10 o  166.596   17.002 11555.96  2267.66   0.0000   0.0000 11555.96  2267.66  ?   ?   166.596   17.002 0.000000 17.00217 
1 1 1  -17   23   11 o  187.949   10.578 14492.09  1607.77   0.0000   0.0000 14492.09  1607.77  ?   ?   187.949   10.578 0.000000 10.57825 
1 1 1  -17   23   12 o   25.445   10.995 -47.6905  415.748   0.0000   0.0000 -47.6905  415.748  ?   ?    25.445   10.995 0.000000 10.99459 
1 1 1  -17   23   13 o   95.675   9.7524  3794.01  747.026   0.0000   0.0000  3794.01  747.026  ?   ?    95.675   9.7524 0.000000 9.752428 
1 1 1  -17   23   14 o  134.345   10.128  7475.82  1096.63   0.0000   0.0000  7475.82  1096.63  ?   ?   134.345   10.128 0.000000 10.12761 
1 1 1  -17   23   15 o  136.111   10.739  7718.14  1177.18   0.0000   0.0000  7718.14  1177.18  ?   ?   136.111   10.739 0.000000 10.73873 
1 1 1  -17   23   16 o  153.456   10.493  9826.90  1299.64 11874.94  3819.59  9558.75  1382.10  153.807   31.640  150.989   11.357 2.817978 33.61675 
1 1 1  -17   23   17 o   29.444   12.724 -27.3925  556.968  888.768  3017.03 -59.7170  566.708   67.736   29.442   29.287   12.745 38.44841 32.08242 
1 1 1  -17   23   18 o  115.446   11.786  5699.78  1089.33  3846.78  3379.65  5914.61  1150.75   84.801   33.399  117.386   12.254 -32.58470 35.57561 
1 1 1  -17   23   19 o   43.409   15.981  733.371  741.214 -2497.8501  3637.49  873.352  757.099   55.724   26.875   45.827   16.245 9.897209 31.40342 
1 1 1  -17   23   20 o   64.961   17.955  2067.60  978.650  1675.71  4238.85  2089.67  1005.83   67.816   31.585   65.141   18.274 2.675148 36.49010 
1 1 1  -17   23   21 o   54.773   22.056  1487.81  1506.47   0.0000   0.0000  1487.81  1506.47  ?   ?    54.773   22.056 0.000000 22.05554 
1 1 1  -17   23   22 o   34.994   17.145 -1720.3730  1646.81   0.0000   0.0000 -1720.3730  1646.81  ?   ?    34.994   17.145 0.000000 17.14504 
1 1 1  -17   25    1 f  114.267   23.317  5588.50  2090.17   0.0000   0.0000  5588.50  2090.17  ?   ?   114.267   23.317 0.000000 23.31743 
1 1 1  -17   25    2 o  177.190   23.703 13214.41  3324.79   0.0000   0.0000 13214.41  3324.79  ?   ?   177.190   23.703 0.000000 23.70331 
1 1 1  -17   25    3 o  205.029   13.463 17251.67  2228.76 15612.53  4095.45 17941.38  2656.60  191.830   27.044  208.691   15.795 -16.86136 31.31845 
1 1 1  -17   25    4 o  146.556   13.225  8848.14  1556.78  9174.06  2974.92  8725.24  1826.89  146.427   25.973  145.084   15.761 1.342789 30.38105 
1 1 1  -17   25    5 o  367.041   17.472 55367.70  5207.01 65566.80  9228.41 50604.14  6306.84  394.260   29.032  348.867   22.383 45.39328 36.65815 
1 1 1  -17   25    6 o  303.864   17.850 38128.61  4384.82 43418.97  6625.34 34005.31  5849.09  321.569   25.586  284.349   25.608 37.21994 36.19999 
1 1 1  -17   25    7 o  362.756   20.632 54672.76  6051.81 55508.45  9002.51 53983.73  8174.41  360.415   31.066  356.828   28.450 3.587128 42.12495 
1 1 1  -17   25    8 o  290.952   17.445 35052.56  4102.25 40011.47  6324.37 31450.75  5389.94  307.595   25.553  272.902   24.588 34.69302 35.46214 
1 1 1  -17   25    9 o  281.725   17.342 32960.35  3947.78 35782.71  6133.48 30964.11  5158.31  289.450   26.387  270.402   23.734 19.04816 35.49077 
1 1 1  -17   25   10 o  294.325   17.760 36175.70  4224.48 39548.93  6511.39 33723.79  5551.41  302.585   26.779  280.581   24.616 22.00354 36.37400 
1 1 1  -17   25   11 o  180.795   13.132 13569.61  1914.60 10088.16  3814.41 14742.16  2213.66  147.471   32.712  188.000   14.616 -40.52922 35.82871 
1 1 1  -17   25   12 o  106.514   10.380  4711.16  886.283  4325.07  2701.98  4757.71  938.189   97.012   30.651  106.909   10.963 -9.896179 32.55294 
1 1 1  -17   25   13 o   62.872   11.793  1689.25  579.929 -684.7450  2422.93  1833.52  597.291   56.276   25.313   65.604   11.639 -9.328056 27.86050 
1 1 1  -17   25   14 o  217.606   15.881 20202.76  2786.64 14020.48  5168.74 22736.09  3308.68  161.463   39.702  229.436   17.902 -67.97272 43.55201 
1 1 1  -17   25   15 o   66.320   13.367  1915.35  694.929 -1799.0680  2758.39  2167.09  718.092   53.857   25.213   70.767   12.975 -16.91080 28.35585 
1 1 1  -17   25   16 o  124.755   12.967  6657.46  1294.37  3937.36  3579.94  7066.53  1388.29   88.344   34.499  128.282   13.533 -39.93758 37.05798 
1 1 1  -17   25   17 o   28.774   12.803 -169.4921  602.078 -1311.7450  2984.31 -121.0275  614.718   56.001   26.220   29.636   13.074 26.36518 29.29836 
1 1 1  -17   25   18 o   41.555   16.927  449.572  898.838  574.840  3357.29  439.900  932.893   64.318   29.274   41.935   17.181 22.38279 33.94369 
1 1 1  -17   25   19 o   67.485   18.304  2237.21  1028.38 -1534.8290  4384.43  2456.81  1057.89   59.810   29.005   70.770   18.281 -10.95973 34.28515 
1 1 1  -17   27    1 o  177.562   16.816 13071.35  2395.49   0.0000   0.0000 13071.35  2395.49  ?   ?   177.562   16.816 0.000000 16.81552 
1 1 1  -17   27    2 o  504.436   27.682 107181.40 11294.85   0.0000   0.0000 107181.40 11294.85  ?   ?   504.436   27.682 0.000000 27.68212 
1 1 1  -17   27    3 o  566.066   24.338 133736.80 11186.43 148138.70 19913.74 127096.90 13521.44  578.438   42.701  546.807   30.577 31.63184 52.51983 
1 1 1  -17   27    4 o  329.646   17.232 44891.48  4596.22 49346.59  8371.85 42969.31  5499.08  339.498   30.702  321.065   21.214 18.43265 37.31815 
1 1 1  -17   27    5 o  355.717   17.595 52239.97  5082.08 54273.34  9091.68 51315.88  6129.04  354.701   31.909  350.452   21.645 4.249908 38.55780 
1 1 1  -17   27    6 o  564.691   24.643 134261.20 11299.13 152307.41 19823.78 125577.20 13751.59  580.470   42.352  539.256   31.544 41.21436 52.80841 
1 1 1  -17   27    7 o  447.929   25.306 85373.95  9166.28 85581.97 13561.19 85198.97 12437.71  435.409   38.764  438.212   35.254 -2.803101 52.39741 
1 1 1  -17   27    8 o  112.847   15.910  5376.76  1417.30  5215.25  2807.10  5432.02  1641.95  107.532   30.656  112.682   18.595 -5.149834 35.85459 
1 1 1  -17   27    9 f  316.747   20.204 42571.41  5169.01 41008.02  8059.67 43663.79  6737.02  299.747   33.699  315.979   26.503 -16.23145 42.87262 
1 1 1  -17   27   10 o   63.756   18.907  1753.34  1049.00  2244.26  2183.80  1606.10  1196.02   75.657   27.494   62.228   20.457 13.42900 34.26976 
1 1 1  -17   27   11 o   97.115   17.526  4104.43  1331.11  3669.44  2862.19  4224.48  1503.61   90.577   31.629   97.815   19.614 -7.238411 37.21705 
1 1 1  -17   27   12 o   27.822   10.480  237.186  322.307 -2384.2209  2348.52  287.507  325.386   47.479   22.540   29.096   10.607 18.38395 24.91131 
1 1 1  -17   27   13 o  104.277   9.7690  4534.23  817.489  3204.78  3128.07  4631.69  846.922   85.368   32.532  105.328   10.024 -19.95981 34.04081 
1 1 1  -17   27   14 o  172.990   10.389 12492.86  1452.54 12429.60  4094.37 12501.97  1553.60  154.324   33.626  172.700   11.139 -18.37575 35.42237 
1 1 1  -17   27   15 o   45.912   13.297  918.845  524.242 -889.8102  3215.69  968.227  531.350   60.653   27.991   47.031   13.313 13.62112 30.99574 
1 1 1  -17   27   16 o   40.926   13.852  689.290  547.691  1302.60  3469.85  673.619  554.644   70.233   31.018   40.677   13.939 29.55605 34.00560 
1 1 1  -17   27   17 o   47.484   14.662  1007.44  622.133 -206.3035  3845.30  1040.07  630.438   63.760   29.824   48.156   14.742 15.60350 33.26821 
1 1 1  -17   27   18 o   93.501   11.646  3839.43  864.989 -1445.9330  4538.44  4038.65  881.141   60.496   29.377   95.990   11.536 -35.49432 31.56089 
1 1 1  -17   27   19 o   67.659   23.098  2646.78  1523.04  5060.40  4116.89  2264.07  1639.35   74.347   33.251   62.897   23.647 11.44983 40.80191 
1 1 1  -17   27   20 o   31.171   14.909 -880.2452  1067.57   0.0000   0.0000 -880.2452  1067.57  ?   ?    31.171   14.909 0.000000 14.90936 
1 1 1  -17   29    1 o  345.415   21.558 50144.37  6015.95   0.0000   0.0000 50144.37  6015.95  ?   ?   345.415   21.558 0.000000 21.55752 
1 1 1  -17   29    2 o  349.967   22.589 51697.98  6384.70   0.0000   0.0000 51697.98  6384.70  ?   ?   349.967   22.589 0.000000 22.58915 
1 1 1  -17   29    3 o   76.804   22.371  2538.32  1480.15   0.0000   0.0000  2538.32  1480.15  ?   ?    76.804   22.371 0.000000 22.37144 
1 1 1  -17   29    4 o  278.415   16.898 32304.44  3801.95 33171.44  7326.08 31984.88  4447.77  272.000   33.908  275.609   20.012 -3.609100 39.37264 
1 1 1  -17   29    5 o  138.131   16.404  8034.51  1803.89  5887.29  3699.69  8704.18  2066.12  113.468   35.868  143.292   18.166 -29.82369 40.20635 
1 1 1  -17   29    6 o   47.001   18.822  491.025  1090.56 -1134.1650  2709.62  805.172  1191.31   58.542   26.509   52.067   20.020 6.474926 33.21949 
1 1 1  -17   29    7 o  205.733   16.231 17795.51  2689.30 20279.34  5233.89 16904.50  3134.76  210.365   31.620  198.902   19.668 11.46339 37.23751 
1 1 1  -17   29    8 o  235.219   17.851 23499.42  3384.01 28256.00  5730.83 20953.01  4193.09  249.714   28.792  218.168   24.071 31.54594 37.52833 
1 1 1  -17   29    9 o   64.997   18.913  1846.82  1058.40 -3725.0759  2767.98  2800.99  1145.44   48.481   23.398   79.716   18.109 -31.23453 29.58697 
1 1 1  -17   29   10 o   92.857   19.953  3852.35  1459.53  2021.30  3443.01  4253.48  1611.49   80.408   32.983   97.258   21.019 -16.85051 39.11116 
1 1 1  -17   29   11 f   41.845   17.534  213.138  1002.08 -907.0278  2474.99  432.770  1095.92   55.122   25.107   45.723   18.665 9.399307 31.28436 
1 1 1  -17   29   12 f   30.745   10.845  348.222  337.024 -1465.9010  2576.33  379.807  339.945   53.239   24.738   31.589   10.908 21.65051 27.03618 
1 1 1  -17   29   13 o  145.497   10.405  8868.33  1221.06  2238.03  4434.56  9412.27  1270.17   82.257   35.724  149.869   10.504 -67.61221 37.23658 
1 1 1  -17   29   14 o   29.872   11.606  250.848  403.535 -3122.1399  3347.86  300.576  406.499   53.839   25.920   30.939   11.742 22.89961 28.45536 
1 1 1  -17   29   15 o   77.224   11.109  2569.84  676.511  1701.09  4022.19  2595.14  686.288   73.599   32.895   77.565   11.223 -3.965584 34.75689 
1 1 1  -17   29   16 o   24.535   11.091 -208.9403  471.984  1937.51  4308.87 -235.0074  474.841   72.245   32.991   24.322   11.047 47.92315 34.79151 
1 1 1  -17   29   17 f  109.475   10.944  5218.01  959.742  701.634  5316.51  5370.15  975.772   66.876   32.312  111.058   10.964 -44.18260 34.12165 
1 1 1  -17   29   18 o   69.493   23.521  2868.13  1579.19 -397.5031  5513.11  3160.03  1648.26   60.083   29.797   72.385   24.026 -12.30175 38.27654 
1 1 1  -17   29   19 o   57.954   23.223  2150.43  1661.33   0.0000   0.0000  2150.43  1661.33  ?   ?    57.954   23.223 0.000000 23.22303 
1 1 1  -17   31    1 o   89.334   23.127  3556.83  1690.64   0.0000   0.0000  3556.83  1690.64  ?   ?    89.334   23.127 0.000000 23.12684 
1 1 1  -17   31    2 o   95.294   23.751  4067.76  1831.18   0.0000   0.0000  4067.76  1831.18  ?   ?    95.294   23.751 0.000000 23.75075 
1 1 1  -17   31    3 o  163.578   20.281 11538.35  2635.91   0.0000   0.0000 11538.35  2635.91  ?   ?   163.578   20.281 0.000000 20.28074 
1 1 1  -17   31    4 o  128.499   19.506  7156.88  1971.23  5682.48  4520.49  7503.07  2190.46  110.152   39.625  130.848   21.354 -20.69669 45.01292 
1 1 1  -17   31    5 o  243.936   17.612 25274.85  3464.99 27426.64  6927.67 24556.95  4001.48  237.576   37.128  238.319   20.890 -0.7435455 42.60079 
1 1 1  -17   31    6 o   71.079   22.153  2210.30  1416.41 -2471.0281  3528.09  3109.78  1546.51   61.024   28.551   83.093   22.409 -22.06943 36.29495 
1 1 1  -17   31    7 o   88.668   22.438  3569.68  1616.77 -5189.4512  4020.54  5259.31  1765.83   57.554   27.878  108.680   20.768 -51.12623 34.76358 
1 1 1  -17   31    8 o  296.488   18.974 38041.26  4543.79 36832.09  8638.76 38503.73  5342.50  263.353   41.795  294.648   22.501 -31.29507 47.46728 
1 1 1  -17   31    9 o   87.340   22.886  3530.50  1642.56  5659.26  4156.30  3136.49  1788.12  104.499   37.937   82.147   24.759 22.35118 45.30164 
1 1 1  -17   31   10 o   73.484   22.652  2477.45  1485.58  1816.06  4111.48  2576.76  1593.22   80.634   34.708   74.807   23.524 5.827263 41.92931 
1 1 1  -17   31   11 o   56.083   21.110  1179.95  1307.27  599.127  3416.05  1279.61  1414.98   69.525   30.737   58.120   21.944 11.40496 37.76621 
1 1 1  -17   31   12 o  101.741   9.4292  4340.91  770.093 -246.6013  4737.52  4465.41  780.474   72.833   33.739  103.205   9.4174 -30.37129 35.02902 
1 1 1  -17   31   13 o   49.135   11.482  1060.44  449.822  5458.23  4509.21  1016.23  452.077   93.629   37.998   48.054   11.697 45.57517 39.75702 
1 1 1  -17   31   14 o  150.981   10.845  9717.28  1320.66  7698.40  5778.96  9828.52  1356.56   97.072   41.450  151.682   11.091 -54.60997 42.90788 
1 1 1  -17   31   15 o   33.227   13.210  308.274  533.410 -5892.8301  4821.33  385.117  536.705   54.559   27.190   34.580   13.398 19.97848 30.31148 
1 1 1  -17   31   16 o   54.951   20.880  1443.38  1286.31 -822.2279  5267.56  1587.05  1326.47   62.014   30.440   56.710   21.281 5.303890 37.14114 
1 1 1  -17   31   17 o   50.989   21.324  1155.59  1477.89 -12556.8604  5586.50  2187.48  1532.49   45.944   23.537   61.127   22.886 -15.18316 32.82967 
1 1 1  -17   31   18 o   55.338   23.025  1951.21  1710.45   0.0000   0.0000  1951.21  1710.45  ?   ?    55.338   23.025 0.000000 23.02456 
1 1 1  -17   33    1 o  158.408   22.223 11124.20  2779.75   0.0000   0.0000 11124.20  2779.75  ?   ?   158.408   22.223 0.000000 22.22321 
1 1 1  -17   33    2 o   41.419   19.004 -874.7096  1452.76   0.0000   0.0000 -874.7096  1452.76  ?   ?    41.419   19.004 0.000000 19.00429 
1 1 1  -17   33    3 o   66.344   24.254  1719.11  1703.14   0.0000   0.0000  1719.11  1703.14  ?   ?    66.344   24.254 0.000000 24.25449 
1 1 1  -17   33    4 o  107.941   25.876  5450.00  2238.47   0.0000   0.0000  5450.00  2238.47  ?   ?   107.941   25.876 0.000000 25.87638 
1 1 1  -17   33    5 o   67.390   23.528  1909.75  1583.77  3696.23  4577.08  1666.76  1688.05   94.124   38.252   65.350   24.108 28.77354 45.21462 
1 1 1  -17   33    6 o  140.701   20.925  8855.98  2317.77 11866.80  5605.67  8235.12  2545.55  141.863   44.047  133.471   24.387 8.392426 50.34758 
1 1 1  -17   33    7 o   93.010   24.103  4078.56  1835.14  7167.52  4939.18  3583.85  1976.64  112.226   41.262   86.731   26.007 25.49493 48.77431 
1 1 1  -17   33    8 o   39.748   18.227 -730.6843  1333.67 -2854.7041  4621.32 -537.7133  1392.94   66.443   31.565   41.998   19.013 24.44460 36.84925 
1 1 1  -17   33    9 o   82.471   24.714  3283.65  1785.40  3316.73  5392.53  3279.57  1892.11   89.637   39.154   82.213   25.601 7.424332 46.78105 
1 1 1  -17   33   10 o   57.525   22.750  1148.58  1574.09  2502.32  5255.57  1015.17  1649.83   84.118   37.599   56.949   23.029 27.16835 44.09050 
1 1 1  -17   33   11 o  161.182   22.615 12408.18  2878.22 11187.60  6994.25 12657.01  3158.01  113.595   46.851  160.159   25.110 -46.56464 53.15539 
1 1 1  -17   33   12 o   24.426   9.9590  108.188  311.541 -1383.6750  5574.63  112.862  312.028   69.518   33.463   24.535   9.9809 44.98321 34.91946 
1 1 1  -17   33   13 o   43.625   12.240  849.083  451.197  4364.00  6049.50  829.420  452.457   81.316   37.825   43.148   12.310 38.16790 39.77799 
1 1 1  -17   33   14 o   33.103   15.841 -1223.8199  1208.60 11871.83  6244.65 -1733.4510  1231.89   98.156   42.511   31.154   15.169 67.00206 45.13609 
1 1 1  -17   33   15 o   53.459   22.538  1221.16  1672.23  3442.38  6850.02  1080.40  1724.40   68.276   33.743   52.631   22.562 15.64444 40.59087 
1 1 1  -17   33   16 o   68.389   25.589  3259.81  1915.21  6361.09  7446.94  3040.16  1981.87   65.127   32.655   65.897   25.687 -0.7707214 41.54674 
1 1 1  -17   35    1 o  274.034   24.870 34587.04  5473.41   0.0000   0.0000 34587.04  5473.41  ?   ?   274.034   24.870 0.000000 24.86972 
1 1 1  -17   35    2 o   98.451   28.119  4756.76  2359.51   0.0000   0.0000  4756.76  2359.51  ?   ?    98.451   28.119 0.000000 28.11941 
1 1 1  -17   35    3 o  151.936   25.324 10856.46  3014.18   0.0000   0.0000 10856.46  3014.18  ?   ?   151.936   25.324 0.000000 25.32397 
1 1 1  -17   35    4 f  117.160   28.447  6813.81  2679.10   0.0000   0.0000  6813.81  2679.10  ?   ?   117.160   28.447 0.000000 28.44727 
1 1 1  -17   35    5 o   91.567   28.267  4189.93  2312.43   0.0000   0.0000  4189.93  2312.43  ?   ?    91.567   28.267 0.000000 28.26719 
1 1 1  -17   35    6 o  188.517   22.317 16430.28  3349.76 21206.71  8266.84 15491.98  3664.04  163.003   53.792  179.410   25.902 -16.40700 59.70365 
1 1 1  -17   35    7 o  173.428   23.281 14205.58  3195.57 15275.43  8048.04 14005.34  3481.81  131.642   51.637  169.203   26.189 -37.56172 57.89855 
1 1 1  -17   35    8 o   74.116   26.359  2662.87  1994.93  2764.49  6436.00  2652.06  2098.27   86.171   39.708   74.162   26.950 12.00910 47.99046 
1 1 1  -17   35    9 o  164.543   24.406 13355.49  3161.86 22395.37  8505.90 11906.08  3405.92  147.797   54.178  149.952   29.022 -2.154755 61.46144 
1 1 1  -17   35   10 o  128.313   27.445  8791.39  2772.83 14915.73  8263.81  8014.39  2943.47  112.177   48.743  118.615   30.417 -6.438507 57.45490 
1 1 1  -17   35   11 o   92.375   27.832  4904.31  2259.88 -2093.6589  7949.46  5519.58  2357.13   71.493   35.510   97.922   28.148 -26.42883 45.31316 
1 1 1  -17   35   12 o   74.998   25.731  3242.04  1890.31 11414.55  8137.36  2775.88  1943.47   88.396   41.963   70.013   25.859 18.38312 49.29077 
1 1 1  -17   35   13 o   43.538   20.286 -468.3140  1751.37  5900.73  8084.77 -781.9090  1793.97   72.486   35.971   42.468   20.023 30.01774 41.16791 
1 1 1  -17   35   14 o   63.799   25.995  2726.33  2120.87  3270.66  9052.51  2694.72  2181.59   63.667   32.382   63.396   26.159 0.2719460 41.62746 
1 1 1  -17   37    1 o  190.017   29.103 18335.67  4347.18   0.0000   0.0000 18335.67  4347.18  ?   ?   190.017   29.103 0.000000 29.10271 
1 1 1  -17   37    2 o  101.826   30.983  5624.38  2790.40   0.0000   0.0000  5624.38  2790.40  ?   ?   101.826   30.983 0.000000 30.98262 
1 1 1  -17   37    3 o   92.471   31.497  4679.73  2831.90   0.0000   0.0000  4679.73  2831.90  ?   ?    92.471   31.497 0.000000 31.49680 
1 1 1  -17   37    4 o  136.556   31.359 10140.30  3403.73   0.0000   0.0000 10140.30  3403.73  ?   ?   136.556   31.359 0.000000 31.35907 
1 1 1  -17   37    5 o   88.067   30.798  4303.80  2714.26   0.0000   0.0000  4303.80  2714.26  ?   ?    88.067   30.798 0.000000 30.79793 
1 1 1  -17   37    6 o  107.565   32.472  6834.05  3074.03   0.0000   0.0000  6834.05  3074.03  ?   ?   107.565   32.472 0.000000 32.47249 
1 1 1  -17   37    7 o   78.492   29.818  3412.59  2622.88  7046.14  8768.08  3055.49  2748.75   90.410   43.100   75.767   30.031 14.64260 52.53060 
1 1 1  -17   37    8 o  107.594   32.204  7233.09  3032.95 18595.10  9597.75  5972.61  3196.76  108.357   49.387   95.055   33.413 13.30282 59.62845 
1 1 1  -17   37    9 o  103.191   31.201  6804.07  2836.36 22027.45  9765.92  5401.65  2964.13  107.699   49.363   89.406   32.095 18.29251 58.87967 
1 1 1  -17   37   10 o   57.310   24.764  1271.25  2109.40 -1557.9510  9511.78  1417.59  2163.26   68.476   34.652   58.509   25.180 9.967102 42.83483 
1 1 1  -17   37   11 o   78.718   29.466  4488.99  2540.17  3320.79 10913.91  4555.90  2611.89   68.354   34.839   78.704   29.790 -10.34986 45.83908 
1 1 1  -17   37   12 o   39.418   18.911 -1091.4220  1747.13 -11616.7695 10536.62 -793.8494  1771.66   56.312   29.016   40.914   19.468 15.39782 34.94189 
1 1 1  -17   39    1 o  132.738   39.994 12780.81  4666.25   0.0000   0.0000 12780.81  4666.25  ?   ?   132.738   39.994 0.000000 39.99351 
1 1 1  -17   39    2 o  119.743   42.697 12139.84  5237.47   0.0000   0.0000 12139.84  5237.47  ?   ?   119.743   42.697 0.000000 42.69699 
1 1 1  -17   39    3 o   60.259   27.933   24.405  3255.47   0.0000   0.0000   24.405  3255.47  ?   ?    60.259   27.933 0.000000 27.93347 
1 1 1  -17   39    4 o  118.942   40.980 11784.19  4796.98   0.0000   0.0000 11784.19  4796.98  ?   ?   118.942   40.980 0.000000 40.97970 
1 1 1  -17   39    5 o   76.103   31.461  3662.26  3164.17   0.0000   0.0000  3662.26  3164.17  ?   ?    76.103   31.461 0.000000 31.46083 
1 1 1  -17   39    6 o  142.486   35.674 14199.05  4117.92   0.0000   0.0000 14199.05  4117.92  ?   ?   142.486   35.674 0.000000 35.67408 
1 1 1  -17   39    7 o   60.920   27.040  1595.92  2669.29 -384.3095 12166.23  1696.07  2735.95   69.863   35.707   61.643   27.367 8.220196 44.98861 
1 1 1  -17   39    8 o   76.205   31.122  4586.82  3048.61  898.056 12647.36  4814.37  3141.23   67.395   34.587   77.164   31.561 -9.768806 46.82243 
1 1 1  -17   39    9 o   44.652   21.618 -1355.9611  2410.26  3868.28 12338.51 -1563.2250  2457.61   64.982   33.392   44.363   21.560 20.61883 39.74719 
1 1 1  -17   39   10 o   53.629   23.941  1449.36  2123.67 -2186.3621 13123.13  1547.13  2152.04   58.993   30.476   54.249   24.167 4.744038 38.89499 
1 1 1  -17   41    1 o   56.829   27.368 -280.5971  3739.59   0.0000   0.0000 -280.5971  3739.59  ?   ?    56.829   27.368 0.000000 27.36798 
1 1 1  -17   41    2 o   96.915   40.535 12068.97  5340.90   0.0000   0.0000 12068.97  5340.90  ?   ?    96.915   40.535 0.000000 40.53498 
1 1 1  -17   41    3 o   66.909   30.915  3199.93  3940.16   0.0000   0.0000  3199.93  3940.16  ?   ?    66.909   30.915 0.000000 30.91541 
1 1 1  -17   41    4 o   61.438   27.874  2165.72  3013.16   0.0000   0.0000  2165.72  3013.16  ?   ?    61.438   27.874 0.000000 27.87447 
1 1 1  -17   41    5 o   69.901   31.852  4845.09  3989.06   0.0000   0.0000  4845.09  3989.06  ?   ?    69.901   31.852 0.000000 31.85173 
1 1 1  -16    0    3 o  393.970   19.641 63663.40  6247.25 69130.38  8815.36 58147.55  8854.67  408.953   26.812  373.789   29.602 -0.000000 0.000000 
1 1 1  -16    0    4 o  743.588   52.176 231522.50 31145.94   0.0000   0.0000 231522.50 31145.94  743.588   52.176  743.588   52.176 -0.000000 0.000000 
1 1 1  -16    0    5 o  148.404   9.0220  9043.48  1077.94 11117.24  1513.58  6909.15  1535.53  164.235   11.479  127.677   15.407 -0.000000 0.000000 
1 1 1  -16    0    6 o  418.089   20.732 71606.83  6998.48 67798.81  9908.21 75398.17  9886.50  404.502   30.569  427.381   28.790 0.000000 0.000000 
1 1 1  -16    0    7 o  121.118   8.1586  6037.56  793.985  6144.56  1109.80  5925.37  1136.40  121.391   11.496  118.987   12.045 -0.000000 0.000000 
1 1 1  -16    0    8 o  1030.94   71.826 444365.31 59454.73   0.0000   0.0000 444365.31 59454.73  1030.94   71.826  1030.94   71.826 0.000000 0.000000 
1 1 1  -16    0    9 o  932.116   44.571 357247.50 33557.65 312609.31 47438.01 401959.91 47477.39  863.496   68.658  984.386   59.908 -0.000000 0.000000 
1 1 1  -16    0   10 o  156.516   9.6767 10062.36  1218.99  4726.15  1670.05 16147.17  1783.35  100.558   23.533  198.454   11.148 -0.000000 0.000000 
1 1 1  -16    0   11 o  1374.27   66.837 790565.50 74178.70 737237.38 104880.80 843941.88 104928.30  1302.00  100.589  1400.78   93.201 -0.000000 0.000000 
1 1 1  -16    0   12 o   50.235   17.351  1336.39  637.636   0.0000   0.0000  1336.39  637.636   50.235   17.351   50.235   17.351 -0.000000 0.000000 
1 1 1  -16    0   13 o  111.241   8.9746  5125.34  798.484  4430.63  1077.68  5970.94  1188.96  101.692   13.762  119.224   12.604 -0.000000 0.000000 
1 1 1  -16    0   14 o  293.788   15.396 35425.90  3649.60 34871.69  5201.07 35963.48  5122.45  289.672   22.422  294.463   21.695 0.000000 0.000000 
1 1 1  -16    0   15 o  268.746   14.433 29658.38  3128.78 31487.32  4380.61 27753.81  4470.27  275.652   19.807  257.953   21.696 -0.000000 0.000000 
1 1 1  -16    0   16 o  191.410   11.606 15070.22  1788.57 14000.06  2593.35 16040.99  2470.00  182.667   17.878  196.529   15.709 0.000000 0.000000 
1 1 1  -16    0   17 o  197.132   11.699 15984.88  1857.55 14537.58  2534.15 17665.52  2730.81  186.414   17.071  206.089   16.565 -0.000000 0.000000 
1 1 1  -16    0   18 o  124.763   9.9304  6454.01  991.319  7541.05  1513.58  5637.44  1311.83  133.702   14.361  114.813   14.738 0.000000 0.000000 
1 1 1  -16    0   19 o  251.986   13.930 26198.10  2830.19 23280.08  3848.63 29634.34  4176.42  235.057   20.525  266.208   19.565 -0.000000 0.000000 
1 1 1  -16    0   20 o  192.732   12.389 15391.20  1920.46 17756.33  3043.00 13825.60  2475.79  204.771   18.658  180.728   17.231 0.000000 0.000000 
1 1 1  -16    0   21 o  228.453   13.414 21677.83  2468.54 17543.71  3231.15 27473.57  3825.78  202.152   20.144  255.000   18.709 -0.000000 0.000000 
1 1 1  -16    0   22 o  215.781   13.596 19443.12  2360.47 22539.41  3755.71 17421.44  3034.78  228.659   20.614  201.393   18.944 0.000000 0.000000 
1 1 1  -16    0   23 o   73.166   19.475  2657.49  999.703  2352.13  1110.45  3963.38  2296.41   65.065   23.087   78.386   34.466 -0.000000 0.000000 
1 1 1  -16    0   24 o   20.769   13.878 -191.5175  643.568 -271.6885  2304.64 -184.7370  670.231   39.575   26.387   21.314   14.217 0.000000 0.000000 
1 1 1  -16    0   25 o   53.766   20.919  1701.97  870.518  1701.97  870.518   0.0000   0.0000   53.766   20.919   53.766   20.919 -0.000000 0.000000 
1 1 1  -16    0   26 o   20.573   13.894 -245.0334  677.503   0.0000   0.0000 -245.0334  677.503   20.573   13.894   20.573   13.894 0.000000 0.000000 
1 1 1  -16    2    2 o  284.547   14.414 33065.22  3319.48 35726.68  4711.90 30442.84  4677.19  295.068   19.781  272.018   21.348 23.05023 29.10376 
1 1 1  -16    2    3 o  386.163   15.527 60755.89  4868.51 57012.05  8464.49 62606.72  5951.47  371.520   28.272  391.687   18.713 -20.16678 33.90386 
1 1 1  -16    2    4 o   81.946   4.4915  2735.13  297.718  2622.97  418.899  2849.61  423.209   80.095   6.4972   83.523   6.2865 -3.428284 9.040629 
1 1 1  -16    2    5 o  118.455   5.3409  5698.20  513.700  5565.64  721.127  5834.77  731.958  116.802   7.6459  119.609   7.5758 -2.807426 10.76348 
1 1 1  -16    2    6 o  364.539   12.731 54022.86  3768.17 54441.57  5320.76 53601.55  5337.27  365.710   17.918  362.867   18.115 2.842987 25.47970 
1 1 1  -16    2    7 o  554.061   18.783 124947.00  8450.23 122730.60 11943.32 127168.70 11957.54  548.403   26.822  558.278   26.379 -9.874756 37.61968 
1 1 1  -16    2    8 o  614.707   29.457 154277.91 14702.50 148531.00 20772.00 160047.50 20813.01  599.771   42.938  623.063   41.375 -23.29242 59.62839 
1 1 1  -16    2    9 o  1000.84   33.462 409724.91 27192.47 400807.69 38449.28 418648.31 38462.64  985.985   48.026  1008.02   46.993 -22.03271 67.19273 
1 1 1  -16    2   10 o  1184.98   39.765 577571.12 38260.66 596845.81 54103.21 558288.62 54114.28  1197.16   55.659  1156.80   57.612 40.35229 80.10656 
1 1 1  -16    2   11 o  617.441   20.735 155621.59 10395.44 157319.91 14695.46 153920.59 14707.30  619.139   29.232  612.334   29.581 6.804565 41.58737 
1 1 1  -16    2   12 o  454.174   22.404 84554.73  8262.18 84477.85 11680.83 84631.69 11688.15  450.619   32.135  451.035   32.125 -0.4158936 45.43891 
1 1 1  -16    2   13 o  752.860   25.646 233795.30 15677.37 240960.80 22166.40 226623.70 22175.89  758.539   35.990  733.930   37.336 24.60828 51.85759 
1 1 1  -16    2   14 o   74.169   6.7664  2254.81  403.010  2573.80  576.707  1950.36  563.409   79.002   9.1604   68.424   10.474 10.57776 13.91490 
1 1 1  -16    2   15 o  481.321   16.729 94946.02  6538.08 97683.28  9242.89 92204.77  9249.60  486.024   23.421  471.306   24.253 14.71817 33.71564 
1 1 1  -16    2   16 o  135.771   6.9784  7518.41  766.706  7027.48  1087.45  8003.68  1081.15  130.881   10.316  139.821   9.5809 -8.940018 14.07911 
1 1 1  -16    2   17 o  194.457   8.0480 15401.13  1270.72 15239.24  1799.16 15562.26  1795.00  192.766   11.548  194.830   11.396 -2.064438 16.22446 
1 1 1  -16    2   18 o   89.527   6.8721  3283.05  495.739  3410.96  690.631  3147.09  712.020   90.907   9.4966   87.156   10.258 3.750862 13.97872 
1 1 1  -16    2   19 o  189.683   8.4469 14710.33  1300.96 14176.96  1812.32 15277.36  1868.65  185.148   12.122  192.253   12.031 -7.104904 17.07914 
1 1 1  -16    2   20 o  141.062   7.7617  8174.33  885.586  8812.20  1253.25  7538.16  1251.57  145.740   10.665  134.472   11.575 11.26793 15.73928 
1 1 1  -16    2   21 f  165.187   8.3593 11258.41  1117.55 10760.79  1576.79 11760.70  1584.16  160.033   12.227  167.567   11.717 -7.534500 16.93484 
1 1 1  -16    2   22 o  141.612   8.4228  8317.50  964.116  8982.11  1377.13  7678.62  1350.20  145.765   11.735  134.335   12.523 11.42921 17.16188 
1 1 1  -16    2   23 o   36.663   12.869  524.245  474.108  909.680  640.215   56.181  705.509   45.972   14.960   33.729   14.444 12.24261 20.79525 
1 1 1  -16    2   24 o   69.893   11.014  2131.52  604.346  1824.19  764.908  2642.07  985.897   62.776   15.174   75.040   16.619 -12.26469 22.50450 
1 1 1  -16    2   25 o   38.632   13.555  635.621  526.028  1741.17  685.058 -952.7126  821.125   60.846   14.136   26.991   12.954 33.85451 19.17347 
1 1 1  -16    2   26 o   28.951   12.522   80.219  540.362 -303.5382  651.359  927.327  967.745   27.289   12.595   44.854   17.806 -17.56538 21.81047 
1 1 1  -16    4    2 o  394.927   19.408 63657.88  6223.65 62345.21  8798.30 64972.50  8804.85  388.737   28.063  397.011   27.483 -8.274323 39.27895 
1 1 1  -16    4    3 o  676.836   47.399 192101.00 25884.54 192101.00 25884.54   0.0000   0.0000  676.836   47.399  ?   ?  0.000000 47.39888 
1 1 1  -16    4    4 o  613.709   29.596 154328.41 14748.23 149534.09 20852.18 159127.30 20862.12  599.562   43.121  619.044   41.749 -19.48224 60.01979 
1 1 1  -16    4    5 o  298.776   12.173 36288.26  2953.08 35374.50  5130.59 36740.96  3611.25  293.785   21.661  300.540   14.799 -6.754028 26.23322 
1 1 1  -16    4    6 o  470.776   15.893 90152.07  6075.16 89071.35  8582.79 91237.22  8600.39  467.484   22.611  473.152   22.386 -5.667816 31.81833 
1 1 1  -16    4    7 o  822.518   27.862 276133.91 18607.77 275511.50 26302.14 276757.41 26328.60  819.381   39.534  821.243   39.484 -1.861572 55.87369 
1 1 1  -16    4    8 o  835.344   32.680 285249.19 22166.09 290113.59 38339.48 282806.81 27166.71  834.837   56.899  830.281   40.297 4.555359 69.72324 
1 1 1  -16    4    9 o  220.073   8.0257 19671.40  1434.13 18975.15  2012.31 20390.03  2044.39  215.784   11.527  223.723   11.291 -7.938400 16.13530 
1 1 1  -16    4   10 o  746.063   24.784 227228.00 15013.76 229931.59 21219.01 224517.41 21246.35  748.458   34.916  739.484   35.385 8.973389 49.71101 
1 1 1  -16    4   11 f  452.187   15.604 83297.95  5729.19 88867.34  8090.20 77695.10  8114.44  466.362   21.365  435.241   23.043 31.12112 31.42347 
1 1 1  -16    4   12 o  272.076   11.226 30130.95  2480.06 29231.58  3023.10 31981.99  4337.03  267.434   13.970  278.958   19.266 -11.52417 23.79790 
1 1 1  -16    4   13 o  280.411   10.458 32009.78  2381.12 33639.86  3351.19 30347.75  3383.88  286.752   14.439  272.179   15.375 14.57327 21.09203 
1 1 1  -16    4   14 o   73.154   6.2630  2191.02  368.425  2316.39  499.646  2041.62  545.423   74.998   8.3464   70.135   9.8491 4.863365 12.91002 
1 1 1  -16    4   15 o  262.233   9.6810 28008.99  2061.33 26860.07  2896.35 29188.25  2934.34  255.972   13.988  266.938   13.583 -10.96547 19.49810 
1 1 1  -16    4   16 o  143.616   6.9156  8390.46  806.440  8639.20  1129.82  8132.11  1151.44  145.277   9.6326  140.866   10.135 4.410751 13.98208 
1 1 1  -16    4   17 o  207.349   8.4825 17519.02  1428.12 18157.86  2006.90 16863.65  2032.69  210.412   11.794  202.638   12.414 7.774002 17.12340 
1 1 1  -16    4   18 o  272.446   10.154 30347.68  2246.35 29366.77  3167.46 31340.28  3186.25  266.602   14.689  275.567   14.289 -8.965393 20.49255 
1 1 1  -16    4   19 o  194.999   8.4451 15552.36  1337.15 16026.31  1878.02 15065.07  1904.27  196.919   11.800  190.736   12.362 6.183151 17.08995 
1 1 1  -16    4   20 o  229.025   9.2224 21572.64  1715.00 21344.45  2428.61 21799.62  2422.17  225.888   13.300  228.383   13.117 -2.495117 18.67985 
1 1 1  -16    4   21 o  181.746   8.3920 13602.28  1238.42 12667.15  1705.18 14646.13  1801.58  173.655   12.170  186.902   11.934 -13.24663 17.04482 
1 1 1  -16    4   22 o  104.233   8.5770  4524.76  719.460  4278.33  961.916  4837.67  1083.91  100.112   12.077  106.214   12.828 -6.102898 17.61883 
1 1 1  -16    4   23 o  202.527   9.1395 17129.04  1502.95 16799.12  2103.79 17472.93  2147.87  197.238   13.213  201.159   13.224 -3.921097 18.69348 
1 1 1  -16    4   24 o   20.906   9.8692 -454.0666  438.361 -658.9427  504.439  177.876  885.935   21.243   10.184   37.958   16.219 -16.71561 19.15113 
1 1 1  -16    4   25 o   73.926   11.746  2455.01  681.461  2802.30  886.327  1952.89  1065.75   77.124   14.690   61.364   19.231 15.75940 24.19966 
1 1 1  -16    4   26 f   56.200   13.643  1547.01  616.300  1943.27  791.682  937.495  981.865   61.454   15.783   44.839   17.893 16.61537 23.85925 
1 1 1  -16    6    1 o  515.298   36.372 109961.10 15120.58 109961.10 15120.58   0.0000   0.0000  515.298   36.372  ?   ?  0.000000 36.37223 
1 1 1  -16    6    2 o  455.888   22.396 84842.30  8290.27 81922.87 11761.61 87724.91 11687.18  445.429   32.750  461.318   31.388 -15.88907 45.36223 
1 1 1  -16    6    3 o  447.175   21.842 81565.02  7930.76 80981.25 11238.01 82144.19 11193.69  443.383   31.419  446.644   31.059 -3.260559 44.17921 
1 1 1  -16    6    4 o  729.989   50.816 222210.00 29932.03 222210.00 29932.03   0.0000   0.0000  729.989   50.816  ?   ?  0.000000 50.81571 
1 1 1  -16    6    5 o  254.901   10.683 26402.04  2210.99 26933.35  3866.93 26143.97  2694.96  256.543   18.692  253.254   13.151 3.288467 22.85508 
1 1 1  -16    6    6 o  619.315   25.197 156414.91 12670.56 121054.70 21980.07 174013.20 15506.22  538.890   50.834  652.717   29.258 -113.8276 58.65236 
1 1 1  -16    6    7 o  399.986   19.688 65116.75  6394.33 60851.89  9050.55 69367.33  9035.36  385.003   29.168  411.479   27.197 -26.47598 39.88034 
1 1 1  -16    6    8 o  672.310   26.408 184339.80 14415.85 187990.41 24912.77 182502.09 17675.72  674.394   45.767  668.161   32.581 6.232849 56.17890 
1 1 1  -16    6    9 o  567.135   19.097 130942.00  8793.93 133222.59 12423.75 128652.10 12449.29  571.292   26.783  561.346   27.313 9.945984 38.25365 
1 1 1  -16    6   10 o  347.699   11.987 49156.72  3384.12 50689.45  4773.26 47607.69  4798.59  352.826   16.662  341.452   17.365 11.37424 24.06569 
1 1 1  -16    6   11 o  263.759   11.350 28303.19  2430.66 25166.97  4245.62 29832.35  2964.59  247.157   21.366  270.673   13.489 -23.51648 25.26774 
1 1 1  -16    6   12 o  362.646   14.947 53657.94  4401.34 55363.64  5381.75 50212.93  7648.32  367.952   18.013  347.785   27.304 20.16656 32.71040 
1 1 1  -16    6   13 o  284.104   10.358 32860.54  2389.46 32640.22  3359.49 33086.10  3399.26  282.375   14.703  284.291   14.777 -1.915771 20.84563 
1 1 1  -16    6   14 o  307.296   11.209 38484.15  2796.71 38755.48  3936.99 38207.75  3973.56  307.396   15.827  305.158   16.094 2.238495 22.57226 
1 1 1  -16    6   15 o  119.252   6.4389  5799.01  621.159  6196.78  858.723  5362.46  899.605  123.078   8.6477  114.315   9.7863 8.763115 13.05967 
1 1 1  -16    6   16 o  169.952   7.5685 11755.84  1044.43 11862.49  1443.65 11638.72  1512.87  170.206   10.497  168.498   11.120 1.707535 15.29223 
1 1 1  -16    6   17 o  255.253   9.7897 26588.51  2028.99 26296.16  2846.00 26890.68  2893.45  252.811   13.918  255.645   13.992 -2.833191 19.73570 
1 1 1  -16    6   18 o  101.707   6.7347  4232.03  553.023  4283.01  744.452  4169.25  826.087  102.004   9.0835  100.434   10.275 1.569138 13.71407 
1 1 1  -16    6   19 o  247.074   9.6888 25048.45  1943.72 25442.70  2725.73 24640.54  2772.55  247.386   13.622  243.242   14.098 4.144073 19.60425 
1 1 1  -16    6   20 o   83.959   7.7045  2912.96  519.371  2636.42  674.635  3315.34  813.781   79.156   10.777   88.708   11.574 -9.551659 15.81436 
1 1 1  -16    6   21 o  123.550   7.8298  6302.23  781.412  5976.71  1082.44  6656.48  1129.21  119.225   11.317  125.933   11.159 -6.707733 15.89329 
1 1 1  -16    6   22 o  161.253   8.4163 10789.69  1098.15 11140.79  1524.07 10410.59  1583.68  162.286   11.643  156.327   12.583 5.958649 17.14361 
1 1 1  -16    6   23 o   80.110   9.3527  2719.58  596.905  2680.93  717.068  2806.80  1077.18   78.685   11.569   77.728   17.490 0.9566040 20.97032 
1 1 1  -16    6   24 o   50.099   12.043  1129.13  483.857  1754.16  553.425 -898.6873  996.833   63.075   11.217   31.303   14.810 31.77212 18.57797 
1 1 1  -16    6   25 o   63.540   11.433  1822.35  568.143  1743.85  675.904  2011.36  1048.80   60.693   14.001   62.002   19.020 -1.308880 23.61707 
1 1 1  -16    6   26 o   36.214   12.754  592.089  465.905  595.755  535.732  580.711  943.800   36.778   13.578   40.212   16.942 -3.433758 21.71154 
1 1 1  -16    8    1 o  480.144   19.366 93895.80  7549.86 90346.77 13072.84 95671.91  9248.03  468.094   34.641  484.296   23.518 -16.20142 41.87017 
1 1 1  -16    8    2 o  140.672   9.2755  8074.53  1053.51  7055.65  1526.90  9000.28  1455.45  130.904   14.615  148.301   12.195 -17.39742 19.03452 
1 1 1  -16    8    3 o  832.571   58.190 290304.69 39090.26 290304.69 39090.26   0.0000   0.0000  832.571   58.190  ?   ?  0.000000 58.19002 
1 1 1  -16    8    4 o  371.926   18.740 56446.89  5641.08 52088.05  8013.12 60729.50  7942.73  356.089   27.939  385.000   25.553 -28.91202 37.86202 
1 1 1  -16    8    5 o  587.541   28.413 140927.80 13555.00 138482.50 19198.93 143358.30 19140.53  579.272   41.085  589.627   40.220 -10.35553 57.49426 
1 1 1  -16    8    6 o  851.112   40.671 297240.09 28106.85 308633.00 39779.66 285882.00 39718.59  861.045   57.224  827.730   59.494 33.31500 82.54760 
1 1 1  -16    8    7 o  378.083   14.707 58114.19  4514.79 71408.56  7887.67 51636.30  5505.94  418.022   23.332  355.708   19.134 62.31451 30.17399 
1 1 1  -16    8    8 o  604.246   29.904 149165.00 14671.73   0.0000   0.0000 149165.00 14671.73  ?   ?   604.246   29.904 0.000000 29.90400 
1 1 1  -16    8    9 o  1489.20   59.632 929332.81 72105.45 970599.12 124943.10 908725.81 88292.14  1471.50  105.267  1457.98   74.834 13.51892 129.1559 
1 1 1  -16    8   10 o  673.968   21.937 185620.00 12004.88 193480.70 16969.03 177743.59 16985.91  686.020   30.464  657.152   31.834 28.86804 44.06140 
1 1 1  -16    8   11 o  897.019   35.575 334716.81 25911.11 344162.59 44925.34 330008.31 31718.29  885.549   62.889  884.968   44.141 0.5810547 76.83391 
1 1 1  -16    8   12 o  318.010   11.060 41177.39  2855.79 40595.67  4027.42 41765.66  4050.08  315.286   15.732  319.813   15.597 -4.527222 22.15287 
1 1 1  -16    8   13 o  542.974   18.429 120815.10  8124.93 121639.20 11478.22 119987.40 11502.59  542.308   26.067  538.522   26.306 3.786194 37.03364 
1 1 1  -16    8   14 o  583.980   19.761 140210.00  9370.08 136158.30 13235.78 144280.70 13266.87  571.618   28.517  588.823   27.749 -17.20557 39.78974 
1 1 1  -16    8   15 f  370.357   13.183 56061.69  3964.44 53101.63  5584.01 59070.09  5629.41  358.598   19.248  378.992   18.293 -20.39389 26.55448 
1 1 1  -16    8   16 o   84.564   6.6710  2927.22  454.327  3207.05  605.899  2567.79  686.690   88.318   8.5564   78.545   11.075 9.773438 13.99496 
1 1 1  -16    8   17 f  220.123   9.0255 19765.78  1613.16 20367.37  2248.22 19127.37  2315.99  222.623   12.488  215.542   13.298 7.081268 18.24250 
1 1 1  -16    8   18 o  287.131   11.139 33819.18  2596.97 32681.66  3633.33 35007.34  3713.32  280.292   16.031  290.214   15.818 -9.921326 22.52110 
1 1 1  -16    8   19 o  201.182   8.8355 16595.08  1443.31 17215.09  2011.45 15937.04  2072.19  203.650   12.221  195.586   13.124 8.063339 17.93313 
1 1 1  -16    8   20 o   28.826   9.3917  331.049  252.293  431.858  282.578 -65.0800  560.154   32.282   9.8674   29.253   12.701 3.028709 16.08341 
1 1 1  -16    8   21 o  243.258   9.7961 24547.46  1934.91 23095.87  2675.25 26139.74  2801.89  232.854   14.218  247.965   13.973 -15.11072 19.93474 
1 1 1  -16    8   22 o   40.498   12.498  699.713  452.098  342.258  510.754  1993.33  971.639   33.874   13.085   65.921   17.755 -32.04758 22.05639 
1 1 1  -16    8   23 o   57.104   10.916  1424.31  487.703  1019.35  570.000  2530.88  942.232   47.752   13.875   74.199   16.102 -26.44681 21.25543 
1 1 1  -16    8   24 o   79.332   9.7879  2714.10  617.112  2304.92  754.445  3541.39  1072.75   71.170   13.550   87.140   15.741 -15.96968 20.76986 
1 1 1  -16    8   25 f   24.569   10.507   41.125  372.383  204.248  405.893 -826.2285  935.948   28.228   11.420   29.744   14.152 -1.516447 18.18495 
1 1 1  -16    8   26 o   46.141   12.398  1037.11  474.424  928.092  531.192  1466.96  1054.75   43.230   13.581   50.548   18.975 -7.318287 23.33444 
1 1 1  -16   10    1 o  1026.63   40.313 432744.81 33604.38 436405.00 58214.63 430915.59 41153.21  1016.89   70.950  1021.52   49.616 -4.635193 86.57711 
1 1 1  -16   10    2 o  451.262   22.521 82962.33  8251.95 76742.14 11716.45 89084.88 11624.13  431.808   33.683  465.897   30.903 -34.08948 45.71191 
1 1 1  -16   10    3 o  848.120   40.756 295287.09 28066.34 299076.00 39745.68 291518.69 39638.14  846.863   58.154  835.812   58.781 11.05054 82.68684 
1 1 1  -16   10    4 o  492.691   24.080 98919.37  9633.33 99026.33 13678.21 98814.10 13569.62  490.806   34.543  490.318   34.300 0.4871521 48.67970 
1 1 1  -16   10    5 o  320.156   16.596 41796.28  4299.35 37373.48  6125.39 46090.91  6035.98  301.766   25.231  335.689   22.271 -33.92252 33.65406 
1 1 1  -16   10    6 o  984.602   47.615 399232.69 38066.32 385035.19 53881.04 413380.50 53786.88  956.872   69.832  992.924   67.109 -36.05109 96.85069 
1 1 1  -16   10    7 o  861.825   43.820 306335.59 30563.16   0.0000   0.0000 306335.59 30563.16  ?   ?   861.825   43.820 0.000000 43.82014 
1 1 1  -16   10    8 o  479.567   19.474 93676.24  7582.86 93824.30 13229.94 93603.81  9253.67  477.099   34.382  478.996   23.793 -1.896759 41.81171 
1 1 1  -16   10    9 o  420.697   16.918 72107.12  5779.09 77902.45 10105.02 69290.31  7044.91  434.906   28.778  411.455   21.159 23.45148 35.71941 
1 1 1  -16   10   10 o  514.014   20.710 108073.80  8643.74 111022.50 15061.94 106625.80 10554.79  515.855   36.189  508.929   25.624 6.926239 44.34197 
1 1 1  -16   10   11 o  544.550   27.580 122748.30 12155.09 109529.70 17264.80 135740.00 17115.97  507.751   42.261  568.279   37.301 -60.52835 56.36763 
1 1 1  -16   10   12 o  174.937   8.4946 12447.35  1206.59 15183.40  2199.23 11269.12  1443.19  192.376   14.179  166.013   10.764 26.36317 17.80241 
1 1 1  -16   10   13 o  215.081   9.3889 18830.28  1639.67 32074.24  2950.94 12915.08  1972.13  280.373   12.962  177.327   13.806 103.0465 18.93729 
1 1 1  -16   10   14 o  168.324   7.2714 11524.12  993.805 11333.25  1389.17 11724.20  1422.32  166.450   10.330  169.299   10.397 -2.849197 14.65606 
1 1 1  -16   10   15 o  379.539   13.684 58941.44  4217.08 57673.61  5953.30 60218.31  5974.47  373.381   19.706  381.680   19.341 -8.298981 27.61206 
1 1 1  -16   10   16 o  268.745   10.144 29474.58  2213.52 27618.42  3111.40 31376.76  3149.74  258.966   14.859  276.268   14.088 -17.30283 20.47606 
1 1 1  -16   10   17 o  278.591   10.330 31733.70  2336.81 31473.41  3292.18 31998.00  3317.46  276.062   14.740  278.363   14.730 -2.300751 20.83879 
1 1 1  -16   10   18 o  136.857   7.3382  7666.15  812.468  7732.47  1104.87  7588.07  1198.89  136.976   10.003  135.474   10.994 1.501770 14.86365 
1 1 1  -16   10   19 o  162.538   7.9289 10822.92  1046.42 10599.57  1434.23 11077.15  1530.15  159.792   11.124  163.207   11.623 -3.414719 16.08782 
1 1 1  -16   10   20 o   85.661   7.5843  3034.54  522.067  2634.91  665.575  3673.62  841.673   79.049   10.640   93.352   11.337 -14.30333 15.54751 
1 1 1  -16   10   21 o   16.364   7.7703 -340.6535  279.366 -278.3477  293.094 -959.4152  923.642   17.660   8.2519   30.231   14.288 -12.57040 16.49951 
1 1 1  -16   10   22 o  167.076   8.4809 11617.75  1146.75 10408.57  1551.53 13073.62  1702.46  155.988   12.351  175.124   12.046 -19.13666 17.25248 
1 1 1  -16   10   23 f   83.967   9.1870  2993.31  616.134  2594.46  749.044  3827.79  1083.45   76.725   12.450   92.040   15.015 -15.31448 19.50571 
1 1 1  -16   10   24 o   30.442   11.520  318.325  390.526  275.248  416.353  633.574  1126.34   30.089   11.761   45.240   18.742 -15.15140 22.12641 
1 1 1  -16   10   25 o   57.361   11.963  1528.15  539.119  1225.79  577.469  3580.37  1504.47   50.367   13.739   77.376   22.559 -27.00925 26.41379 
1 1 1  -16   12    1 o  568.775   22.796 131749.70 10528.00 131060.00 18260.84 132093.09 12885.02  564.054   40.133  569.074   27.885 -5.020508 48.87004 
1 1 1  -16   12    2 o  420.971   21.447 72333.08  7306.48 63051.41 10374.29 81468.19 10292.06  391.445   32.946  445.959   28.573 -54.51382 43.61061 
1 1 1  -16   12    3 f  435.949   22.036 77581.55  7774.83 71332.72 11053.71 83699.97 10937.76  416.522   32.953  451.845   29.983 -35.32285 44.55183 
1 1 1  -16   12    4 o  706.601   34.739 204211.80 19931.31 183194.59 28251.69 225038.09 28123.00  664.050   52.834  738.018   47.177 -73.96710 70.83161 
1 1 1  -16   12    5 o  458.377   22.754 85589.37  8468.81 82382.09 12045.85 88724.04 11908.74  447.623   33.383  464.895   31.738 -17.27206 46.06173 
1 1 1  -16   12    6 o  604.809   42.081 151134.30 20536.46   0.0000   0.0000 151134.30 20536.46  ?   ?   604.809   42.081 0.000000 42.08066 
1 1 1  -16   12    7 o  828.663   39.314 282704.59 26452.04 308230.19 37477.21 257364.50 37340.82  858.428   54.044  781.765   59.267 76.66370 80.20798 
1 1 1  -16   12    8 o  685.943   27.583 192845.30 15362.76 198673.20 26752.43 189977.80 18765.38  688.057   48.189  678.289   34.182 9.768250 59.08167 
1 1 1  -16   12    9 o  371.661   14.475 56280.93  4368.23 69755.08  7711.52 49914.70  5300.67  411.985   23.146  349.088   18.770 62.89612 29.80021 
1 1 1  -16   12   10 o  593.572   23.463 144753.30 11308.35 146186.00 19725.78 144051.91 13801.43  587.791   41.599  590.367   28.791 -2.576172 50.59110 
1 1 1  -16   12   11 o  799.802   31.679 266152.50 20572.80 278268.50 35767.72 260162.50 25149.26  796.416   55.661  784.538   39.608 11.87787 68.31496 
1 1 1  -16   12   12 o  551.662   21.421 125159.70  9595.18 142671.20 16752.51 116610.30 11705.40  581.451   35.656  529.710   27.308 51.74072 44.91177 
1 1 1  -16   12   13 o  409.338   16.929 68668.86  5626.84 64165.90  9877.80 70831.97  6846.21  390.100   31.452  414.879   20.323 -24.77890 37.44692 
1 1 1  -16   12   14 f  102.714   7.8815  4318.65  652.313  6187.56  1356.28  3756.24  744.019  122.223   13.915   95.523   9.7284 26.69969 16.97807 
1 1 1  -16   12   15 o  197.502   9.7979 15906.52  1571.24 15460.19  2915.39 16089.23  1865.33  192.686   18.877  198.117   11.647 -5.430847 22.18053 
1 1 1  -16   12   16 o  151.234   8.8840  9359.48  1086.14  9609.37  2051.59  9262.17  1280.28  151.706   16.945  150.198   10.565 1.508286 19.96855 
1 1 1  -16   12   17 o  137.840   7.0399  7764.27  785.296  7220.04  1052.62  8447.38  1179.30  132.485   9.8556  143.298   10.202 -10.81267 14.18510 
1 1 1  -16   12   18 o  196.984   8.2984 15882.76  1327.28 14561.07  1856.40 17264.93  1898.41  187.326   12.273  204.306   11.490 -16.97951 16.81227 
1 1 1  -16   12   19 o  174.505   8.3230 12503.89  1179.30 12118.75  1641.89 12914.31  1694.94  170.397   11.943  175.927   11.936 -5.530365 16.88474 
1 1 1  -16   12   20 o  108.564   7.7147  4868.74  675.624  4698.27  906.511  5081.76  1013.34  105.800   10.699  109.789   11.540 -3.989243 15.73688 
1 1 1  -16   12   21 o   45.014   11.060  882.324  401.359  1007.91  447.490  365.668  907.623   48.037   11.603   41.440   16.959 6.596413 20.54859 
1 1 1  -16   12   22 o   46.710   10.856  956.507  403.885  873.385  452.340  1283.33  896.933   44.506   12.168   53.680   17.719 -9.173981 21.49461 
1 1 1  -16   12   23 o  128.025   8.9237  6926.47  921.830  6503.73  1143.74  7710.18  1557.29  122.369   11.652  130.697   14.943 -8.328598 18.94895 
1 1 1  -16   12   24 o   64.617   10.259  1842.10  520.258  1722.01  563.541  2535.02  1353.67   61.739   11.669   67.905   21.721 -6.165565 24.65700 
1 1 1  -16   12   25 o   40.028   11.640  750.931  401.005  790.320  422.507  393.216  1273.26   40.941   11.960   41.926   18.639 -0.9854469 22.14633 
1 1 1  -16   14    1 o  1056.70   41.787 458303.50 35853.35 432599.31 62143.93 471128.19 43895.64  1011.38   76.234  1068.68   50.587 -57.30011 91.49154 
1 1 1  -16   14    2 f  1630.90   79.565 1124041.00 105362.80 1018188.00 148957.80 1230030.00 149053.20  1508.41  122.683  1673.23  110.329 -164.8232 164.9958 
1 1 1  -16   14    3 o  775.723   37.958 246693.70 23908.45 230022.80 33882.61 263225.59 33741.14  742.644   56.616  796.150   52.489 -53.50598 77.20447 
1 1 1  -16   14    4 o  469.733   24.081 90200.52  9153.83 74916.38 13018.08 105148.40 12874.08  425.632   38.070  506.093   31.485 -80.46033 49.40286 
1 1 1  -16   14    5 o  553.731   38.838 126694.70 17351.55   0.0000   0.0000 126694.70 17351.55  ?   ?   553.731   38.838 0.000000 38.83809 
1 1 1  -16   14    6 o  741.421   35.682 226267.41 21480.70 235983.09 30468.36 216665.80 30289.04  750.589   50.284  718.174   52.301 32.41412 72.55249 
1 1 1  -16   14    7 o  834.424   40.131 289108.09 27189.49 307206.59 38544.63 271183.00 38359.54  849.511   56.197  795.502   59.825 54.00970 82.08067 
1 1 1  -16   14    8 o   93.091   9.0420  3556.55  674.830  6015.17  1114.09  2131.69  848.123  121.038   11.473   70.971   15.177 50.06690 19.02558 
1 1 1  -16   14    9 o  563.070   21.071 129966.20  9633.33 160293.59 16876.43 115308.80 11732.54  619.874   33.657  527.921   27.465 91.95300 43.44095 
1 1 1  -16   14   10 o  305.647   17.161 38317.85  4241.76 31052.05  6190.27 44749.23  5823.98  272.502   28.394  329.372   21.902 -56.87088 35.85957 
1 1 1  -16   14   11 o  366.087   15.316 54763.05  4552.69 53726.47  8083.91 55244.52  5509.49  358.904   27.961  366.683   18.565 -7.779205 33.56279 
1 1 1  -16   14   12 o   33.064   11.145  414.709  354.508  980.568  879.597  304.966  387.362   51.164   17.553   31.145   11.537 20.01880 21.00439 
1 1 1  -16   14   13 o  156.818   8.5251 10040.26  1081.44 10843.83  2066.20  9737.07  1269.16  161.915   15.922  154.237   10.192 7.677368 18.90458 
1 1 1  -16   14   14 o  278.171   12.288 31621.38  2775.47 31093.48  5045.51 31850.43  3323.49  272.716   23.000  278.396   14.755 -5.679413 27.32613 
1 1 1  -16   14   15 o  350.956   14.734 50575.06  4198.76 51004.31  7500.77 50379.18  5067.03  347.027   26.828  348.889   17.947 -1.862152 32.27781 
1 1 1  -16   14   16 o   71.592   9.7632  2132.52  552.737  1712.86  1227.63  2239.22  619.033   64.581   20.688   73.219   10.731 -8.637314 23.30544 
1 1 1  -16   14   17 o  218.866   10.830 19679.41  1924.59 23133.08  3696.34 18394.87  2254.26  233.421   19.686  210.595   13.251 22.82631 23.73042 
1 1 1  -16   14   18 o   81.057   12.565  2787.38  800.233  2995.91  2046.09  2749.73  869.490   82.044   26.746   80.143   13.863 1.900795 30.12587 
1 1 1  -16   14   19 o  110.804   11.098  5146.30  985.081  5003.87  2410.05  5174.87  1079.36  101.831   28.188  110.754   12.205 -8.923431 30.71730 
1 1 1  -16   14   20 o  153.533   10.887  9884.77  1348.40 11202.29  2830.10  9497.86  1533.66  155.464   23.124  149.607   12.747 5.857147 26.40465 
1 1 1  -16   14   21 o  178.538   11.573 13513.54  1668.60 10964.97  3496.61 14265.05  1898.75  143.548   30.913  182.532   12.894 -38.98428 33.49440 
1 1 1  -16   14   22 o  105.422   13.291  4881.41  1112.43  6633.76  3097.21  4621.87  1191.97  104.063   32.810  101.600   14.891 2.462746 36.03096 
1 1 1  -16   14   23 o   56.995   19.778  1578.29  1118.37  6727.22  3141.72  831.161  1196.76   97.650   33.175   48.312   19.586 49.33851 38.52568 
1 1 1  -16   14   24 f   44.422   19.082  573.668  1238.04   0.0000   0.0000  573.668  1238.04  ?   ?    44.422   19.082 0.000000 19.08200 
1 1 1  -16   14   25 o  117.776   27.099  9924.37  2537.61   0.0000   0.0000  9924.37  2537.61  ?   ?   117.776   27.099 0.000000 27.09888 
1 1 1  -16   16    1 o  734.897   29.629 220992.91 17679.92 186227.00 30698.20 238247.70 21626.77  665.244   57.394  761.878   34.960 -96.63428 67.20301 
1 1 1  -16   16    2 o  626.558   25.582 160370.70 13014.71 145046.50 22579.06 167995.41 15926.70  589.622   47.567  640.422   30.628 -50.80023 56.57478 
1 1 1  -16   16    3 o  1051.86   51.683 461763.91 44141.61 448024.50 62503.61 475435.00 62348.01  1017.66   76.196  1050.64   73.549 -32.98700 105.9019 
1 1 1  -16   16    4 o  350.369   25.851 50505.32  7302.26   0.0000   0.0000 50505.32  7302.26  ?   ?   350.369   25.851 0.000000 25.85064 
1 1 1  -16   16    5 o  399.276   20.317 65268.25  6564.87 67420.91  9389.95 63209.96  9181.80  404.146   28.803  391.186   29.116 12.95999 40.95534 
1 1 1  -16   16    6 o  225.266   12.816 20725.97  2334.40 23795.92  3414.59 18031.99  3198.67  240.832   17.583  209.254   19.034 31.57796 25.91260 
1 1 1  -16   16    7 o  534.522   25.739 117545.70 11171.23 132005.80 15917.07 103508.50 15682.54  562.290   35.037  495.870   39.271 66.41949 52.62939 
1 1 1  -16   16    8 o  345.657   17.980 48988.66  5028.93 50048.61  7241.71 48001.38  6988.99  347.588   25.844  340.465   25.466 7.123016 36.28240 
1 1 1  -16   16    9 f  285.707   13.722 33294.97  3183.30 39900.65  4767.36 27980.00  4276.31  311.554   18.935  260.410   20.387 51.14410 27.82395 
1 1 1  -16   16   10 o  403.747   17.194 66724.33  5636.78 61669.85 10030.57 69057.27  6814.58  382.875   32.574  410.048   20.468 -27.17273 38.47097 
1 1 1  -16   16   11 o  150.904   7.9773  9289.41  973.980 11073.89  1984.76  8723.37  1117.83  163.889   15.084  146.072   9.4759 17.81680 17.81358 
1 1 1  -16   16   12 o  160.822   8.6227 10558.66  1121.86 10304.80  2247.40 10642.91  1294.71  157.424   17.900  161.319   9.9327 -3.895111 20.47157 
1 1 1  -16   16   13 o  149.288   8.5083  9105.09  1027.08  7805.60  2085.06  9521.42  1180.19  136.283   19.389  152.550   9.5766 -16.26624 21.62520 
1 1 1  -16   16   14 o  159.081   8.7745 10344.82  1129.01 11198.67  2281.15 10067.81  1299.30  163.967   17.400  156.732   10.266 7.235504 20.20288 
1 1 1  -16   16   15 o  177.250   9.7548 12870.87  1398.51 11410.63  2755.68 13377.44  1623.06  164.073   21.179  180.474   11.130 -16.40038 23.92586 
1 1 1  -16   16   16 o  169.443   9.9139 11799.06  1358.03 11772.87  2724.64 11807.72  1566.47  165.983   20.664  169.159   11.473 -3.176422 23.63517 
1 1 1  -16   16   17 o  163.566   10.075 11044.00  1331.49 12717.80  3019.87 10640.09  1483.47  170.406   22.366  160.140   11.485 10.26669 25.14222 
1 1 1  -16   16   18 o   69.382   13.297  2074.96  721.859  1843.12  2222.75  2102.29  763.229   71.007   27.335   69.667   13.978 1.339943 30.70173 
1 1 1  -16   16   19 o   88.278   11.267  3297.97  789.195  5830.36  2160.75  2908.14  847.764  111.122   24.598   82.213   13.142 28.90876 27.88870 
1 1 1  -16   16   20 o  116.196   11.512  5726.74  1071.79  7845.93  2993.23  5415.07  1147.90  122.665   30.244  112.396   12.807 10.26891 32.84372 
1 1 1  -16   16   21 o  128.647   11.907  7097.71  1229.71  5054.21  3410.50  7403.08  1318.39   91.875   34.192  131.028   12.545 -39.15263 36.42093 
1 1 1  -16   16   22 o   38.200   16.408  150.708  915.327  1007.66  3130.65   70.605  957.151   63.514   28.652   38.106   16.573 25.40857 33.09970 
1 1 1  -16   16   23 o   34.594   16.664 -1431.7910  1388.28   0.0000   0.0000 -1431.7910  1388.28  ?   ?    34.594   16.664 0.000000 16.66370 
1 1 1  -16   16   24 o   49.468   20.610  1172.91  1373.18   0.0000   0.0000  1172.91  1373.18  ?   ?    49.468   20.610 0.000000 20.61009 
1 1 1  -16   18    1 o  651.509   46.855 178986.09 24620.75   0.0000   0.0000 178986.09 24620.75  ?   ?   651.509   46.855 0.000000 46.85461 
1 1 1  -16   18    2 o  227.694   19.342 21324.66  3542.10   0.0000   0.0000 21324.66  3542.10  ?   ?   227.694   19.342 0.000000 19.34195 
1 1 1  -16   18    3 o  122.463   10.771  6147.71  1060.12  5022.58  1596.77  7034.57  1417.65  109.399   18.644  130.731   13.552 -21.33117 23.04929 
1 1 1  -16   18    4 o  168.087   11.961 11558.89  1621.85  8856.70  2413.04 13785.42  2190.38  145.635   21.014  183.296   14.845 -37.66180 25.72866 
1 1 1  -16   18    5 o  581.526   28.943 139655.50 13666.14 140395.09 19470.41 138937.20 19186.41  576.404   41.888  573.612   41.474 2.791382 58.94634 
1 1 1  -16   18    6 o  439.355   21.911 79197.48  7816.50 86178.79 11192.54 72550.99 10920.86  455.141   30.462  416.723   32.533 38.41739 44.56845 
1 1 1  -16   18    7 o  625.252   30.148 162144.59 15305.60 179998.00 21791.52 144762.09 21502.17  651.553   41.406  581.193   45.939 70.36011 61.84486 
1 1 1  -16   18    8 o  270.839   22.548 30373.27  4913.44 30373.27  4913.44   0.0000   0.0000  270.839   22.548  ?   ?  0.000000 22.54766 
1 1 1  -16   18    9 o  210.550   13.380 18162.54  2275.58 15125.16  3384.34 20668.87  3074.28  190.413   22.313  224.069   17.025 -33.65654 28.06604 
1 1 1  -16   18   10 o  268.015   11.367 29284.79  2473.76 30043.87  4619.30 28979.56  2929.20  269.258   21.302  266.034   13.606 3.224182 25.27682 
1 1 1  -16   18   11 o  381.981   16.904 59860.40  5242.73 50607.20  9444.36 63981.88  6303.08  344.228   34.245  394.179   19.693 -49.95065 39.50341 
1 1 1  -16   18   12 o  172.805   9.4836 12205.64  1325.57  9723.11  2719.17 12979.52  1518.19  151.527   22.808  178.076   10.547 -26.54958 25.12822 
1 1 1  -16   18   13 o  246.967   11.059 24912.09  2217.56 26835.42  4269.16 24201.39  2595.13  253.557   20.923  242.756   13.216 10.80084 24.74728 
1 1 1  -16   18   14 o  366.103   15.361 55213.15  4566.23 55367.71  8312.38 55146.36  5464.56  359.212   28.740  364.243   18.538 -5.030823 34.20017 
1 1 1  -16   18   15 o  340.740   15.842 48151.81  4382.95 38423.71  8000.23 52323.84  5239.17  291.758   34.434  353.513   18.315 -61.75534 39.00222 
1 1 1  -16   18   16 o  235.035   11.910 22866.92  2265.45 21860.58  4529.90 23202.56  2616.10  222.326   25.558  236.025   13.710 -13.69894 29.00320 
1 1 1  -16   18   17 o   64.566   12.596  1790.97  636.638  1787.04  1848.62  1791.49  678.120   68.141   25.210   64.389   13.406 3.751968 28.55296 
1 1 1  -16   18   18 o   28.637   12.802 -227.5629  609.622  778.040  2378.17 -298.2891  630.696   63.468   26.825   28.464   12.848 35.00417 29.74283 
1 1 1  -16   18   19 o   54.330   16.567  1297.88  797.219   51.244  2232.89  1480.01  853.471   56.445   24.907   57.659   17.043 -1.213886 30.18027 
1 1 1  -16   18   20 o   53.391   16.606  1270.14  796.344  1795.82  2466.15  1208.95  841.419   68.306   27.954   52.492   17.154 15.81475 32.79792 
1 1 1  -16   18   21 o   55.273   17.319  1409.86  864.445  7012.17  3349.67  1010.12  894.754  104.469   34.230   49.007   17.629 55.46201 38.50301 
1 1 1  -16   18   22 f   60.820   17.953  1816.55  947.595  1335.14  3770.67  1849.01  979.014   64.843   30.060   61.205   18.291 3.637455 35.18763 
1 1 1  -16   18   23 o   65.631   22.933  2561.97  1504.81   0.0000   0.0000  2561.97  1504.81  ?   ?    65.631   22.933 0.000000 22.93283 
1 1 1  -16   18   24 o   42.979   19.929  261.733  1658.92   0.0000   0.0000  261.733  1658.92  ?   ?    42.979   19.929 0.000000 19.92926 
1 1 1  -16   20    1 o  141.948   12.418  8268.75  1416.91   0.0000   0.0000  8268.75  1416.91  ?   ?   141.948   12.418 0.000000 12.41841 
1 1 1  -16   20    2 o  479.857   19.855 94267.15  7735.88 83183.89 13511.48 99672.00  9435.42  444.487   37.796  492.578   23.591 -48.09100 44.55429 
1 1 1  -16   20    3 o  275.664   13.173 30968.45  2948.45 34862.35  5194.61 29117.71  3581.24  290.653   22.178  266.491   16.634 24.16260 27.72292 
1 1 1  -16   20    4 o  403.173   20.819 66819.83  6792.07 74152.85  9761.59 59937.95  9456.54  422.511   28.623  378.900   31.009 43.61090 42.20007 
1 1 1  -16   20    5 o  279.924   15.927 32108.90  3605.09 33087.81  5278.56 31253.12  4935.45  282.733   23.198  274.932   22.301 7.801086 32.17852 
1 1 1  -16   20    6 o  417.814   21.963 71947.25  7424.85 70369.67 10694.08 73415.45 10316.73  409.619   32.418  419.189   30.520 -9.570282 44.52433 
1 1 1  -16   20    7 o  602.005   44.965 156177.30 21820.46 156177.30 21820.46   0.0000   0.0000  602.005   44.965  ?   ?  0.000000 44.96470 
1 1 1  -16   20    8 o  621.677   31.643 162117.80 15920.10 159579.20 22713.80 164569.20 22320.20  605.646   46.544  616.502   44.897 -10.85553 64.66956 
1 1 1  -16   20    9 o  257.749   15.014 27269.25  3128.64 28138.18  4638.20 26543.82  4237.96  260.193   22.165  253.014   20.813 7.179169 30.40563 
1 1 1  -16   20   10 o  432.401   20.531 77134.97  7208.27 57940.23 12921.71 85806.66  8685.22  361.905   44.940  454.318   23.626 -92.41235 50.77218 
1 1 1  -16   20   11 o  249.097   10.856 25320.30  2195.72 27257.10  4290.49 24633.06  2555.76  255.905   20.829  245.106   12.887 10.79871 24.49362 
1 1 1  -16   20   12 o  195.320   9.2668 15555.84  1469.66 20898.09  3084.97 13987.48  1671.52  224.610   17.042  184.695   11.199 39.91577 20.39265 
1 1 1  -16   20   13 o  176.392   10.161 12756.19  1449.18  9213.58  3085.74 13758.66  1641.47  145.212   27.170  183.048   11.096 -37.83604 29.34833 
1 1 1  -16   20   14 o  117.182   9.2086  5649.48  869.119  1128.49  2094.50  6589.86  955.241   65.902   26.185  126.588   9.3599 -60.68585 27.80770 
1 1 1  -16   20   15 o  208.678   11.414 18003.52  1926.62 12438.46  3967.60 19720.62  2203.89  164.050   30.920  218.045   12.500 -53.99469 33.35149 
1 1 1  -16   20   16 f  195.473   10.288 15807.20  1627.07 22111.50  3748.49 14343.67  1806.08  225.263   20.727  185.530   12.054 39.73291 23.97709 
1 1 1  -16   20   17 o  125.834   9.7187  6581.56  985.296 10963.73  2576.17  5830.70  1066.37  156.988   20.716  117.914   11.275 39.07402 23.58598 
1 1 1  -16   20   18 o   73.357   12.660  2324.50  726.814  2095.60  2633.42  2343.38  756.185   73.575   29.321   73.497   13.154 0.7840729E-01 32.13658 
1 1 1  -16   20   19 o  143.622   11.476  8746.96  1327.12 11178.09  3532.54  8347.44  1432.03  145.451   30.866  139.579   12.777 5.871170 33.40653 
1 1 1  -16   20   20 o  143.105   12.111  8818.25  1394.06 12128.69  3814.90  8308.06  1497.63  144.349   33.236  137.902   13.550 6.447144 35.89177 
1 1 1  -16   20   21 o   65.140   17.230  2038.14  925.379  2622.97  2898.11  1971.75  976.496   70.262   29.649   63.706   18.053 6.555553 34.71303 
1 1 1  -16   20   22 o   80.242   25.531  3958.80  1872.17   0.0000   0.0000  3958.80  1872.17  ?   ?    80.242   25.531 0.000000 25.53142 
1 1 1  -16   20   23 f   56.410   23.462  1996.23  1775.05   0.0000   0.0000  1996.23  1775.05  ?   ?    56.410   23.462 0.000000 23.46158 
1 1 1  -16   22    1 o  219.431   21.686 19962.74  3813.22   0.0000   0.0000 19962.74  3813.22  ?   ?   219.431   21.686 0.000000 21.68580 
1 1 1  -16   22    2 o  497.349   37.934 104633.50 15203.48   0.0000   0.0000 104633.50 15203.48  ?   ?   497.349   37.934 0.000000 37.93419 
1 1 1  -16   22    3 o  584.885   44.386 146779.00 20922.17   0.0000   0.0000 146779.00 20922.17  ?   ?   584.885   44.386 0.000000 44.38627 
1 1 1  -16   22    4 o  404.827   21.252 67539.93  6961.27   0.0000   0.0000 67539.93  6961.27  ?   ?   404.827   21.252 0.000000 21.25208 
1 1 1  -16   22    6 o  325.974   25.426 44259.32  6676.62   0.0000   0.0000 44259.32  6676.62  ?   ?   325.974   25.426 0.000000 25.42636 
1 1 1  -16   22    7 o   92.219   16.934  3593.36  1221.28   0.0000   0.0000  3593.36  1221.28  ?   ?    92.219   16.934 0.000000 16.93410 
1 1 1  -16   22    8 o  233.230   15.004 22358.22  2826.21 20907.85  4301.48 23459.94  3748.98  223.326   24.104  237.927   19.580 -14.60147 31.05383 
1 1 1  -16   22    9 o  612.990   31.091 158976.20 15424.29 165878.59 22100.47 152421.20 21536.92  613.252   44.691  586.847   45.555 26.40564 63.81682 
1 1 1  -16   22   10 o  126.136   13.247  6581.67  1336.47  4127.12  2371.00  7724.73  1618.00   97.852   28.260  136.463   14.842 -38.61111 31.92057 
1 1 1  -16   22   11 o  192.006   9.5394 15041.75  1487.22 17996.05  3226.81 14244.91  1675.83  207.573   19.369  186.360   11.126 21.21265 22.33709 
1 1 1  -16   22   12 o  299.548   13.823 36906.96  3362.05 33485.47  6473.63 38170.63  3934.22  277.963   29.115  303.561   16.018 -25.59839 33.23049 
1 1 1  -16   22   13 o  336.977   15.808 47164.61  4325.31 39300.79  8132.43 50266.55  5107.63  293.823   34.761  346.161   18.236 -52.33780 39.25444 
1 1 1  -16   22   14 o   61.763   10.915  1615.94  527.343  3714.64  1704.12  1393.69  554.563   91.038   23.035   57.002   12.340 34.03613 26.13212 
1 1 1  -16   22   15 o  263.483   12.765 28895.77  2730.92 32433.88  5776.22 27877.23  3099.18  267.066   27.008  257.271   14.900 9.794830 30.84564 
1 1 1  -16   22   16 o  159.417   10.186 10560.50  1311.54 12648.05  3723.31 10264.79  1401.36  162.329   29.328  156.831   11.076 5.498291 31.34948 
1 1 1  -16   22   17 o  205.302   11.332 17669.05  1881.67 24235.31  4698.28 16414.58  2053.57  226.411   26.030  196.934   12.914 29.47601 29.05757 
1 1 1  -16   22   18 o  147.630   11.066  9201.24  1316.87 12227.33  3584.96  8729.23  1415.85  154.183   29.713  143.131   12.302 11.05205 32.15941 
1 1 1  -16   22   19 o   97.787   12.351  4144.54  958.822  5223.58  3253.49  4041.92  1003.38   93.156   33.604   96.132   13.203 -2.976372 36.10478 
1 1 1  -16   22   20 o   55.103   18.031  1420.67  929.614  4286.85  3784.46  1236.62  958.996   80.969   34.009   52.347   18.306 28.62184 38.62301 
1 1 1  -16   22   21 o   87.512   24.069  4350.96  1763.68   0.0000   0.0000  4350.96  1763.68  ?   ?    87.512   24.069 0.000000 24.06901 
1 1 1  -16   22   22 o   33.903   16.272 -1067.4320  1296.59   0.0000   0.0000 -1067.4320  1296.59  ?   ?    33.903   16.272 0.000000 16.27245 
1 1 1  -16   24    1 f  205.102   15.233 17292.67  2518.77   0.0000   0.0000 17292.67  2518.77  ?   ?   205.102   15.233 0.000000 15.23324 
1 1 1  -16   24    2 o  310.633   27.695 40407.84  6912.02   0.0000   0.0000 40407.84  6912.02  ?   ?   310.633   27.695 0.000000 27.69478 
1 1 1  -16   24    3 o  328.666   20.156 44591.66  5353.00 48062.93  7581.85 41141.49  7558.76  338.806   27.806  312.444   30.170 26.36182 41.02908 
1 1 1  -16   24    4 o  285.188   14.233 33245.94  3295.84 33308.37  5835.98 33216.71  3993.68  282.189   25.754  284.069   17.398 -1.880157 31.08019 
1 1 1  -16   24    5 o  388.884   22.891 62752.73  7196.26 62860.47  9980.44 62636.07 10385.75  385.207   32.205  383.783   33.669 1.424255 46.59090 
1 1 1  -16   24    6 o   88.022   25.026  3304.67  1873.31  3304.67  1873.31   0.0000   0.0000   88.022   25.026  ?   ?  0.000000 25.02579 
1 1 1  -16   24    7 o  347.979   30.168 51350.76  8439.56 51350.76  8439.56   0.0000   0.0000  347.979   30.168  ?   ?  0.000000 30.16805 
1 1 1  -16   24   11 o  106.465   10.497  4685.96  895.629   0.0000   0.0000  4685.96  895.629  ?   ?   106.465   10.497 0.000000 10.49720 
1 1 1  -16   24   12 o  117.286   9.5499  5673.77  901.564   0.0000   0.0000  5673.77  901.564  ?   ?   117.286   9.5499 0.000000 9.549914 
1 1 1  -16   24   13 o  170.682   10.975 12061.82  1512.93   0.0000   0.0000 12061.82  1512.93  ?   ?   170.682   10.975 0.000000 10.97494 
1 1 1  -16   24   14 o  349.934   19.013 52722.37  5381.85   0.0000   0.0000 52722.37  5381.85  ?   ?   349.934   19.013 0.000000 19.01256 
1 1 1  -16   24   15 o   56.630   13.752  1401.04  626.015   0.0000   0.0000  1401.04  626.015  ?   ?    56.630   13.752 0.000000 13.75171 
1 1 1  -16   24   16 o  132.547   10.755  7368.52  1147.55   0.0000   0.0000  7368.52  1147.55  ?   ?   132.547   10.755 0.000000 10.75539 
1 1 1  -16   24   17 o   37.814   14.710  424.862  648.893   0.0000   0.0000  424.862  648.893  ?   ?    37.814   14.710 0.000000 14.70950 
1 1 1  -16   24   18 o   28.104   12.727 -282.2946  624.568   0.0000   0.0000 -282.2946  624.568  ?   ?    28.104   12.727 0.000000 12.72659 
1 1 1  -16   24   19 o   62.827   15.412  1831.10  780.300   0.0000   0.0000  1831.10  780.300  ?   ?    62.827   15.412 0.000000 15.41242 
1 1 1  -16   24   20 o   30.954   14.989 -1466.2390  1159.65   0.0000   0.0000 -1466.2390  1159.65  ?   ?    30.954   14.989 0.000000 14.98853 
1 1 1  -16   24   21 o   62.201   22.196  2277.30  1415.59   0.0000   0.0000  2277.30  1415.59  ?   ?    62.201   22.196 0.000000 22.19564 
1 1 1  -16   24   22 o   65.593   23.384  3061.65  1570.81   0.0000   0.0000  3061.65  1570.81  ?   ?    65.593   23.384 0.000000 23.38351 
1 1 1  -16   26    1 o  224.416   16.588 20770.47  3001.15   0.0000   0.0000 20770.47  3001.15  ?   ?   224.416   16.588 0.000000 16.58763 
1 1 1  -16   26    2 o  387.375   21.798 62236.51  6828.23   0.0000   0.0000 62236.51  6828.23  ?   ?   387.375   21.798 0.000000 21.79753 
1 1 1  -16   26    3 o  346.314   16.977 49257.39  4773.96 52961.15  8651.58 47635.93  5724.35  353.470   30.441  338.955   20.901 14.51480 36.92590 
1 1 1  -16   26    4 o  156.255   13.736 10066.54  1725.08  7921.90  3234.42 10919.15  2039.36  134.598   30.323  162.430   15.657 -27.83144 34.12625 
1 1 1  -16   26    5 o  205.537   13.983 17380.21  2319.79 19803.16  4335.10 16408.01  2746.03  216.465   25.132  199.007   17.162 17.45773 30.43291 
1 1 1  -16   26    6 o  421.803   22.591 74246.05  7709.13 84832.37 11408.80 65350.95 10457.87  445.192   31.770  389.434   33.396 55.75742 46.09345 
1 1 1  -16   26    7 o  385.870   22.168 62283.25  6916.34 61280.55 10280.88 63112.23  9347.92  375.347   34.106  383.647   30.254 -8.299591 45.59050 
1 1 1  -16   26    8 o  185.663   15.249 14295.94  2278.55 15095.56  3892.94 13879.26  2810.19  187.092   26.357  181.761   19.338 5.330551 32.69021 
1 1 1  -16   26    9 o  122.373   15.009  6274.81  1460.03  5932.35  2902.57  6390.81  1689.30  114.660   30.605  122.874   17.420 -8.213631 35.21539 
1 1 1  -16   26   10 o   89.290   17.291  3436.11  1208.31 -2124.3740  2521.34  5093.91  1376.70   51.789   24.200  109.602   15.937 -57.81289 28.97629 
1 1 1  -16   26   11 o   57.146   9.2783  1372.87  415.754 -8222.9805  2224.49  1720.20  423.211   31.801   16.162   64.307   8.2987 -32.50616 18.16821 
1 1 1  -16   26   12 o   55.108   10.039  1288.33  432.637  165.691  2338.74  1328.11  440.235   60.331   26.073   55.969   10.057 4.362091 27.94489 
1 1 1  -16   26   13 o   37.604   11.990  578.737  412.698  627.104  2078.17  576.752  421.085   60.052   25.211   37.645   12.122 22.40697 27.97440 
1 1 1  -16   26   14 o  256.320   16.221 28189.50  3358.64 28955.92  5963.20 27833.42  4064.66  243.784   30.814  251.134   20.102 -7.350128 36.79093 
1 1 1  -16   26   15 o  184.837   14.147 14609.61  2107.14 13801.88  4635.19 14820.02  2365.72  158.555   36.725  184.954   15.908 -26.39870 40.02256 
1 1 1  -16   26   16 o  113.439   12.957  5536.90  1172.08  2828.43  3723.37  5834.81  1234.85   80.683   33.803  116.305   13.316 -35.62160 36.33132 
1 1 1  -16   26   17 o   94.261   13.943  3917.84  1034.97  6265.45  3798.35  3729.56  1075.68   98.763   36.204   91.368   15.022 7.394928 39.19656 
1 1 1  -16   26   18 o   35.878   14.870  256.944  709.492 -5422.3301  3704.81  473.158  722.871   48.837   24.255   39.041   15.424 9.796925 28.74353 
1 1 1  -16   26   19 o   64.475   18.574  2089.65  1025.39 -256.5645  4342.58  2228.19  1055.22   60.954   29.389   66.464   18.743 -5.510456 34.85722 
1 1 1  -16   28    1 o  157.029   16.836 10269.56  2113.12   0.0000   0.0000 10269.56  2113.12  ?   ?   157.029   16.836 0.000000 16.83580 
1 1 1  -16   28    2 o  317.101   20.277 41883.20  5193.59   0.0000   0.0000 41883.20  5193.59  ?   ?   317.101   20.277 0.000000 20.27739 
1 1 1  -16   28    3 o  343.751   17.652 48938.61  4910.43 57194.41  9103.60 45550.99  5831.50  364.427   31.062  329.854   21.897 34.57217 38.00462 
1 1 1  -16   28    4 o  303.461   16.609 38120.53  4076.83 40074.64  7528.72 37309.80  4849.34  304.182   30.912  298.877   20.099 5.305389 36.87181 
1 1 1  -16   28    5 o  390.330   19.307 63404.09  6119.20 66082.71 10970.99 62194.47  7372.52  386.329   35.367  383.520   23.792 2.809631 42.62503 
1 1 1  -16   28    6 o  175.633   14.571 12809.46  2059.15 17766.60  4168.21 11209.12  2368.32  202.667   25.924  163.180   18.184 39.48621 31.66524 
1 1 1  -16   28    7 o  197.717   17.051 16391.21  2710.60 16654.59  4680.99 16258.35  3324.75  192.686   30.968  195.194   21.324 -2.507919 37.59985 
1 1 1  -16   28    8 o  205.601   16.644 17760.86  2754.73 20806.96  4680.67 16146.65  3407.33  216.915   27.172  193.521   22.080 23.39453 35.01157 
1 1 1  -16   28    9 o   86.732   18.203  3285.26  1241.04  5035.50  2872.27  2883.51  1376.12  103.997   31.387   80.669   20.856 23.32738 37.68456 
1 1 1  -16   28   10 o  189.770   16.984 15321.35  2589.38 14323.29  4679.37 15761.85  3108.73  171.794   34.740  190.619   20.402 -18.82417 40.28775 
1 1 1  -16   28   11 o  109.209   17.221  5178.95  1476.46  6112.15  2959.24  4869.65  1703.66  112.009   31.317  104.352   20.836 7.657082 37.61565 
1 1 1  -16   28   12 o   70.479   10.067  2093.93  559.749 -2693.9070  2951.41  2272.57  570.096   53.258   25.279   73.547   9.7897 -20.28905 27.10855 
1 1 1  -16   28   13 o   79.407   9.8329  2651.00  620.428 -1669.4490  3116.81  2829.26  633.097   58.046   27.051   82.110   9.6821 -24.06381 28.73137 
1 1 1  -16   28   14 o   97.040   10.247  3965.52  795.194 -1344.2600  3566.29  4243.32  815.731   62.297   29.000  100.451   10.140 -38.15429 30.72139 
1 1 1  -16   28   15 o   60.146   12.588  1590.46  595.003  2322.47  3714.98  1571.19  602.785   77.291   33.124   59.704   12.817 17.58643 35.51734 
1 1 1  -16   28   16 o  105.651   10.757  4766.11  909.880  3993.31  3800.91  4813.09  937.127   83.463   34.491  106.035   11.047 -22.57204 36.21655 
1 1 1  -16   28   17 o   99.468   12.608  4358.85  995.391  3738.77  4723.37  4387.67  1018.26   78.215   35.247   99.627   12.890 -21.41196 37.52952 
1 1 1  -16   28   18 o   60.513   21.001  1895.12  1260.89  5252.13  4864.54  1653.34  1305.50   77.181   35.171   57.484   21.202 19.69695 41.06722 
1 1 1  -16   28   19 o   68.974   22.818  2860.55  1487.19   0.0000   0.0000  2860.55  1487.19  ?   ?    68.974   22.818 0.000000 22.81820 
1 1 1  -16   28   20 o   47.099   20.922  958.370  1601.20   0.0000   0.0000  958.370  1601.20  ?   ?    47.099   20.922 0.000000 20.92208 
1 1 1  -16   30    1 o  199.510   18.800 16787.62  3009.56   0.0000   0.0000 16787.62  3009.56  ?   ?   199.510   18.800 0.000000 18.79970 
1 1 1  -16   30    2 o  362.249   23.249 56042.73  6802.08   0.0000   0.0000 56042.73  6802.08  ?   ?   362.249   23.249 0.000000 23.24852 
1 1 1  -16   30    3 o  244.154   19.267 25184.06  3788.54   0.0000   0.0000 25184.06  3788.54  ?   ?   244.154   19.267 0.000000 19.26694 
1 1 1  -16   30    4 o  117.406   19.250  5938.19  1771.51  5082.82  4227.65  6120.37  1951.06  107.463   38.356  118.620   21.027 -11.15649 43.74155 
1 1 1  -16   30    5 o  230.546   16.606 22335.64  3087.77 22530.81  6012.88 22265.74  3598.49  219.722   34.868  228.698   19.567 -8.975906 39.98269 
1 1 1  -16   30    6 o   38.114   16.905 -304.2268  1041.56  4213.45  2704.53 -1090.9399  1128.61   96.209   30.694   34.267   16.069 61.94135 34.64651 
1 1 1  -16   30    7 o   96.841   19.557  4126.97  1484.86  9092.30  3770.11  3215.34  1615.43  137.004   34.041   84.597   22.940 52.40678 41.04937 
1 1 1  -16   30    8 o  108.706   20.502  5233.42  1743.22  3148.73  3865.00  5765.80  1953.17   90.349   35.674  113.590   21.971 -23.24083 41.89727 
1 1 1  -16   30    9 o  199.475   18.250 17161.05  2923.18 18939.35  5323.19 16393.27  3497.75  195.911   34.736  191.782   22.916 4.128952 41.61349 
1 1 1  -16   30   10 o  149.118   18.650  9729.28  2208.71  8305.25  4635.88 10147.45  2512.16  122.707   40.272  150.883   21.081 -28.17587 45.45623 
1 1 1  -16   30   11 o  107.445   20.381  5225.73  1713.02  4884.40  4153.52  5295.68  1880.39   98.066   37.459  107.131   22.340 -9.064583 43.61486 
1 1 1  -16   30   12 o   99.126   9.3090  4106.24  740.481  2139.99  4124.22  4171.73  752.712   80.932   34.799   99.896   9.3901 -18.96340 36.04320 
1 1 1  -16   30   13 o  100.989   9.4652  4278.80  767.090  790.753  4241.98  4396.72  779.948   73.873   33.335  102.374   9.4908 -28.50174 34.66017 
1 1 1  -16   30   14 o   93.524   10.184  3711.13  760.871  1094.41  4359.02  3793.36  772.734   73.423   33.395   94.547   10.229 -21.12421 34.92593 
1 1 1  -16   30   15 o   34.322   12.657  425.237  465.267 -4053.3530  4141.25  482.490  468.231   55.488   27.187   35.534   12.756 19.95457 30.03048 
1 1 1  -16   30   16 o   35.540   13.355  455.247  522.801 -3957.7119  3649.93  547.682  528.248   50.558   24.919   37.354   13.530 13.20417 28.35524 
1 1 1  -16   30   17 o   24.773   12.161 -1456.2070  841.273 -7033.5830  5171.31 -1304.5890  852.631   51.538   26.017   25.743   12.553 25.79543 28.88732 
1 1 1  -16   30   18 o   56.324   21.646  1787.97  1392.16   0.0000   0.0000  1787.97  1392.16  ?   ?    56.324   21.646 0.000000 21.64558 
1 1 1  -16   32    1 o  176.671   20.656 13525.43  2907.21   0.0000   0.0000 13525.43  2907.21  ?   ?   176.671   20.656 0.000000 20.65622 
1 1 1  -16   32    2 o  143.661   21.781  9067.95  2460.99   0.0000   0.0000  9067.95  2460.99  ?   ?   143.661   21.781 0.000000 21.78065 
1 1 1  -16   32    3 o   81.667   26.024  2968.34  1944.61   0.0000   0.0000  2968.34  1944.61  ?   ?    81.667   26.024 0.000000 26.02447 
1 1 1  -16   32    4 o   68.616   23.870  1936.99  1629.51   0.0000   0.0000  1936.99  1629.51  ?   ?    68.616   23.870 0.000000 23.87047 
1 1 1  -16   32    5 o  244.067   18.386 25564.99  3616.96 36354.73  7434.74 22219.52  4139.89  274.671   34.067  224.015   23.091 50.65556 41.15562 
1 1 1  -16   32    6 o  125.892   20.354  7011.49  2009.57  5216.50  4653.12  7423.05  2228.07  104.119   39.677  128.700   22.118 -24.58172 45.42556 
1 1 1  -16   32    7 o   84.072   23.121  3251.03  1627.59  4504.36  4057.68  3010.71  1776.79   97.610   37.086   80.943   24.743 16.66641 44.58258 
1 1 1  -16   32    8 o  199.051   19.611 17430.56  3128.36 18727.08  6678.01 17066.04  3540.93  177.755   45.937  194.323   22.880 -16.56850 51.31982 
1 1 1  -16   32    9 o   76.577   24.100  2720.72  1671.75  4532.49  4608.20  2446.14  1793.96   96.160   38.626   73.572   25.069 22.58775 46.04799 
1 1 1  -16   32   10 o   35.875   16.765 -985.3787  1210.37  1810.34  4248.75 -1232.3060  1262.69   79.877   34.827   35.436   16.735 44.44091 38.63869 
1 1 1  -16   32   11 o   68.373   23.186  2151.21  1534.53 -1591.3370  4052.35  2777.72  1658.01   64.512   30.315   76.056   24.008 -11.54426 38.67081 
1 1 1  -16   32   12 o   63.153   10.356  1713.23  512.604  3447.95  5006.90  1694.86  515.312   85.083   37.432   62.768   10.481 22.31519 38.87114 
1 1 1  -16   32   13 f   49.919   11.488  1100.09  455.984 12953.22  5241.61  1009.71  457.719  130.887   42.816   47.734   11.862 83.15292 44.42862 
1 1 1  -16   32   14 o   95.273   9.8919  3880.60  754.068  335.559  5854.88  3940.40  760.401   71.112   34.246   96.009   9.8961 -24.89719 35.64709 
1 1 1  -16   32   15 o   60.653   23.402  1847.32  1631.98  3222.68  5846.37  1731.10  1699.54   72.824   34.847   59.699   23.629 13.12559 42.10333 
1 1 1  -16   32   16 o   64.249   24.277  2448.82  1732.74  7791.61  6326.89  2015.59  1801.63   75.635   36.208   60.115   24.150 15.52072 43.52292 
1 1 1  -16   32   17 f   62.978   24.712  2716.31  1843.91   0.0000   0.0000  2716.31  1843.91  ?   ?    62.978   24.712 0.000000 24.71227 
1 1 1  -16   34    1 o  118.470   25.032  6511.68  2332.55   0.0000   0.0000  6511.68  2332.55  ?   ?   118.470   25.032 0.000000 25.03248 
1 1 1  -16   34    2 o   47.054   21.203 -581.6891  1709.03   0.0000   0.0000 -581.6891  1709.03  ?   ?    47.054   21.203 0.000000 21.20303 
1 1 1  -16   34    3 o  289.163   24.881 38067.81  5785.05   0.0000   0.0000 38067.81  5785.05  ?   ?   289.163   24.881 0.000000 24.88145 
1 1 1  -16   34    4 o  147.181   25.301 10070.90  2914.67   0.0000   0.0000 10070.90  2914.67  ?   ?   147.181   25.301 0.000000 25.30142 
1 1 1  -16   34    5 o  222.019   20.744 21929.43  3696.29 20486.65  8258.04 22290.90  4133.47  171.318   53.506  221.342   23.352 -50.02402 58.37949 
1 1 1  -16   34    6 o   61.101   23.260  1388.23  1598.15 -9446.3740  4936.58  2656.70  1689.11   55.420   27.602   75.750   24.267 -20.33002 36.75236 
1 1 1  -16   34    7 o   55.732   22.724  834.203  1622.14 -395.0545  5928.84  933.667  1686.49   80.301   37.384   57.265   23.239 23.03564 44.01826 
1 1 1  -16   34    8 o   90.585   25.650  4043.06  1972.02  702.841  5709.64  4495.48  2101.33   81.149   37.397   95.122   26.318 -13.97292 45.72881 
1 1 1  -16   34    9 o   62.311   23.943  1551.35  1703.22  2978.69  5952.44  1424.07  1777.55   87.147   39.392   61.603   24.235 25.54387 46.24979 
1 1 1  -16   34   10 o   44.474   20.014 -320.7322  1516.84 -1132.3890  5883.21 -262.9359  1569.92   73.486   35.107   45.586   20.450 27.89985 40.62917 
1 1 1  -16   34   11 o   55.060   22.800  932.732  1665.73  1893.87  6294.35  860.351  1727.31   79.380   37.450   54.992   23.031 24.38846 43.96482 
1 1 1  -16   34   12 o  108.389   26.464  6392.76  2308.83  5929.60  7322.80  6443.88  2432.92   85.480   40.348  107.342   27.721 -21.86208 48.95273 
1 1 1  -16   34   13 o   57.148   23.559  1364.10  1767.45 -7964.4980  7015.05  1996.42  1826.36   59.642   30.131   62.874   24.617 -3.232327 38.90847 
1 1 1  -16   34   14 o   34.061   16.581 -1815.9659  1469.49 -4517.8159  5701.71 -1623.7310  1520.87   56.296   28.274   35.536   17.197 20.75908 33.09361 
1 1 1  -16   34   15 o   50.306   22.190  936.627  1770.44  2760.72  8029.69  843.419  1815.11   62.978   31.866   49.932   22.223 13.04653 38.85002 
1 1 1  -16   36    1 f  321.912   27.737 50027.25  7179.09   0.0000   0.0000 50027.25  7179.09  ?   ?   321.912   27.737 0.000000 27.73665 
1 1 1  -16   36    2 o  155.791   28.100 11933.46  3423.84   0.0000   0.0000 11933.46  3423.84  ?   ?   155.791   28.100 0.000000 28.10035 
1 1 1  -16   36    3 o  107.764   31.371  6126.60  2911.30   0.0000   0.0000  6126.60  2911.30  ?   ?   107.764   31.371 0.000000 31.37089 
1 1 1  -16   36    4 o  128.370   29.694  8466.21  3033.46   0.0000   0.0000  8466.21  3033.46  ?   ?   128.370   29.694 0.000000 29.69369 
1 1 1  -16   36    5 o   61.676   25.739  1063.94  2146.73   0.0000   0.0000  1063.94  2146.73  ?   ?    61.676   25.739 0.000000 25.73900 
1 1 1  -16   36    6 o  145.014   27.188 10582.26  3083.65 15100.53  9382.77 10035.15  3265.01  121.019   52.261  138.202   29.960 -17.18256 60.23955 
1 1 1  -16   36    7 o   65.764   25.798  1815.24  2009.00 -3647.8770  6945.24  2314.09  2098.72   72.621   35.501   70.559   26.704 2.062294 44.42364 
1 1 1  -16   36    8 o   68.548   27.041  2130.87  2218.78  5672.15  7517.38  1792.93  2322.23   90.873   42.236   66.356   27.138 24.51656 50.20290 
1 1 1  -16   36    9 o  128.968   29.646  9326.03  3039.51 13536.79  8724.64  8744.37  3242.66  104.214   47.339  120.785   32.396 -16.57177 57.36274 
1 1 1  -16   36   10 o  124.578   28.800  8871.05  2855.00 23328.40  9474.12  7427.04  2994.19  118.787   51.893  108.750   31.859 10.03728 60.89212 
1 1 1  -16   36   11 o   63.039   25.661  1996.93  2064.21  254.820  8838.00  2097.44  2122.93   71.162   35.666   63.949   26.027 7.213089 44.15264 
1 1 1  -16   36   12 o   95.643   30.098  6308.04  2607.50  2308.49  9810.69  6612.04  2704.78   68.852   34.881   97.088   30.666 -28.23652 46.44469 
1 1 1  -16   36   13 o   60.064   25.462  2185.47  2153.12  4535.89  9805.79  2066.40  2206.98   65.080   33.158   59.274   25.470 5.806412 41.81119 
1 1 1  -16   38    1 o  185.914   33.270 19331.47  4837.99   0.0000   0.0000 19331.47  4837.99  ?   ?   185.914   33.270 0.000000 33.27046 
1 1 1  -16   38    2 o  141.119   35.335 11875.86  4039.70   0.0000   0.0000 11875.86  4039.70  ?   ?   141.119   35.335 0.000000 35.33468 
1 1 1  -16   38    3 o  117.422   39.028  9449.79  4348.88   0.0000   0.0000  9449.79  4348.88  ?   ?   117.422   39.028 0.000000 39.02831 
1 1 1  -16   38    4 o  144.481   40.023 14184.83  4856.77   0.0000   0.0000 14184.83  4856.77  ?   ?   144.481   40.023 0.000000 40.02348 
1 1 1  -16   38    5 o  139.886   38.668 13259.48  4538.70   0.0000   0.0000 13259.48  4538.70  ?   ?   139.886   38.668 0.000000 38.66798 
1 1 1  -16   38    6 o   49.328   22.278 -96.4009  1899.25   0.0000   0.0000 -96.4009  1899.25  ?   ?    49.328   22.278 0.000000 22.27837 
1 1 1  -16   38    7 o  132.538   31.095 10582.78  3288.66 24255.04 11474.43  9359.17  3432.67  105.282   49.935  119.241   33.868 -13.95859 60.33712 
1 1 1  -16   38    8 o  150.813   32.551 14473.38  3869.17 19501.39 11989.14 13888.83  4087.90   90.253   44.611  141.448   35.615 -51.19527 57.08404 
1 1 1  -16   38    9 o   47.966   22.419 -433.7915  2166.06 -8292.8066 11927.07 -165.7461  2202.69   65.335   33.533   49.485   22.952 15.84965 40.63627 
1 1 1  -16   38   10 o   52.564   24.093  586.094  2326.92  1458.64 10851.93  544.043  2382.33   66.134   33.795   52.656   24.225 13.47763 41.58072 
1 1 1  -16   38   11 o   55.035   24.990  1392.88  2428.48  9944.41 12516.46  1058.36  2475.52   65.500   33.656   53.577   24.666 11.92386 41.72699 
1 1 1  -16   40    1 o   66.642   31.244  1215.07  4262.41   0.0000   0.0000  1215.07  4262.41  ?   ?    66.642   31.244 0.000000 31.24411 
1 1 1  -16   40    2 o   49.929   24.278 -2430.8689  3126.90   0.0000   0.0000 -2430.8689  3126.90  ?   ?    49.929   24.278 0.000000 24.27781 
1 1 1  -16   40    3 o   43.637   21.541 -3645.8459  2764.63   0.0000   0.0000 -3645.8459  2764.63  ?   ?    43.637   21.541 0.000000 21.54141 
1 1 1  -16   40    4 o   73.991   32.312  3879.76  3670.57   0.0000   0.0000  3879.76  3670.57  ?   ?    73.991   32.312 0.000000 32.31218 
1 1 1  -16   40    5 o   68.206   30.425  2918.03  3422.71   0.0000   0.0000  2918.03  3422.71  ?   ?    68.206   30.425 0.000000 30.42474 
1 1 1  -16   40    6 o   59.147   27.162  1336.24  2976.31   0.0000   0.0000  1336.24  2976.31  ?   ?    59.147   27.162 0.000000 27.16180 
1 1 1  -16   40    7 o   40.143   19.932 -3367.3789  2496.69   0.0000   0.0000 -3367.3789  2496.69  ?   ?    40.143   19.932 0.000000 19.93234 
1 1 1  -16   40    8 o   53.552   25.337  716.984  2918.55  5855.96 16720.59  555.494  2964.05   63.110   32.692   53.147   25.258 9.963524 41.31197 
1 1 1  -15    1    2 o  640.795   45.259 173428.09 23396.77 173428.09 23396.77   0.0000   0.0000  640.795   45.259  ?   ?  0.000000 45.25852 
1 1 1  -15    1    3 o  265.851   11.004 28748.36  2375.39 29606.63  4140.71 28327.36  2900.04  268.608   19.110  263.416   13.605 5.192169 23.45837 
1 1 1  -15    1    5 f  227.397   8.5319 21009.31  1575.33 20694.15  2222.45 21327.56  2233.28  225.266   12.196  228.707   12.069 -3.441315 17.15814 
1 1 1  -15    1    6 o  322.310   11.479 42222.48  3004.16 41229.14  4246.47 43217.73  4250.58  317.879   16.509  325.910   16.062 -8.031738 23.03380 
1 1 1  -15    1    7 o  500.440   17.107 101893.90  6951.12 101855.30  9829.66 101932.50  9831.06  499.805   24.221  499.995   24.216 -0.1900024 34.25022 
1 1 1  -15    1    8 o  788.228   37.792 254638.30 24187.55 247292.70 34203.57 261986.20 34209.14  770.892   55.005  794.127   53.363 -23.23450 76.63656 
1 1 1  -15    1    9 o  319.687   11.300 41526.39  2933.28 41118.45  4145.73 41935.34  4150.85  317.566   16.131  321.124   15.919 -3.557617 22.66342 
1 1 1  -15    1   10 o  714.554   24.146 208251.30 14009.15 216293.00 19809.34 200205.41 19814.52  726.655   33.574  698.855   34.919 27.79962 48.44101 
1 1 1  -15    1   11 o  892.973   29.892 327216.00 21673.75 328413.81 30648.74 326017.81 30653.89  889.815   42.420  886.490   42.587 3.325806 60.10917 
1 1 1  -15    1   12 o  206.478   11.702 17407.63  1953.80 16176.16  2749.85 18663.11  2776.53  198.327   17.248  213.290   16.152 -14.96236 23.63000 
1 1 1  -15    1   13 o   50.870   7.7970  1076.41  311.781  1378.31  437.796  765.715  444.123   57.412   9.7396   42.834   12.188 14.57792 15.60125 
1 1 1  -15    1   14 o  727.721   25.033 218756.50 14791.63 214812.20 20917.32 222701.80 20919.73  713.650   36.217  728.038   35.389 -14.38800 50.63596 
1 1 1  -15    1   15 o   56.307   7.5634  1312.65  337.046  1328.55  465.183  1295.07  489.021   56.190   10.584   55.370   11.261 0.8198013 15.45412 
1 1 1  -15    1   16 o  208.165   8.3292 17641.32  1407.84 18414.17  1991.08 16868.62  1990.89  212.088   11.606  202.883   12.141 9.205200 16.79613 
1 1 1  -15    1   17 o  254.844   9.6733 26487.20  2001.64 27747.26  2825.67 25218.04  2835.85  259.950   13.433  247.629   14.163 12.32115 19.52015 
1 1 1  -15    1   18 o  389.719   13.935 62423.24  4409.56 64158.34  6236.68 60688.82  6235.43  392.781   19.555  381.212   20.217 11.56830 28.12716 
1 1 1  -15    1   19 o  218.140   9.0718 19470.83  1606.81 19469.02  2271.07 19472.65  2273.68  216.884   12.956  216.900   12.970 -0.1588440E-01 18.33186 
1 1 1  -15    1   20 o   87.367   7.9845  3152.55  560.149  3597.24  789.951  2702.84  794.409   92.792   10.679   79.759   12.692 13.03252 16.58712 
1 1 1  -15    1   21 o   78.824   8.7988  2590.38  553.533  2413.17  776.042  2773.91  789.767   74.830   13.258   80.600   12.470 -5.769241 18.20096 
1 1 1  -15    1   22 o  213.390   9.4656 18903.13  1640.06 18747.38  2299.40 19064.42  2339.93  209.705   13.577  211.380   13.707 -1.675217 19.29309 
1 1 1  -15    1   23 o   99.571   9.0696  4164.31  725.223  4475.61  995.437  3812.17  1058.73  101.894   12.279   92.882   14.513 9.011955 19.01070 
1 1 1  -15    1   24 o   25.810   11.577 -175.1691  503.005 -492.0070  628.733  388.213  838.396   26.098   12.158   39.698   16.279 -13.59991 20.31798 
1 1 1  -15    1   25 o   26.416   11.696 -84.1724  496.405  217.413  666.461 -459.9762  743.961   33.989   14.274   28.724   13.329 5.265383 19.52933 
1 1 1  -15    1   26 o   42.145   13.960  846.886  556.564  850.498  752.410  842.521  827.080   42.842   16.037   43.124   16.654 -0.2822113 23.11996 
1 1 1  -15    3    1 o  305.754   15.482 38203.07  3831.07 39492.00  5412.44 36908.88  5423.47  309.933   21.643  299.426   22.471 10.50684 31.19923 
1 1 1  -15    3    3 o  478.476   23.297 93684.53  9050.93 92059.47 12796.39 95311.41 12803.52  471.151   33.671  479.612   33.080 -8.461304 47.20208 
1 1 1  -15    3    5 o  737.513   28.990 222636.80 17360.47 205722.00 30080.77 231084.41 21258.06  700.340   53.298  750.003   34.908 -49.66290 63.71243 
1 1 1  -15    3    6 o  799.459   27.076 261037.70 17576.24 257235.20 24845.12 264847.31 24868.03  791.160   38.676  802.914   38.145 -11.75336 54.32153 
1 1 1  -15    3    7 o  866.259   29.179 306509.81 20523.49 301024.31 29012.63 312004.31 29036.57  855.758   41.754  871.409   41.038 -15.65027 58.54486 
1 1 1  -15    3    8 o  159.847   9.3604 10414.77  1209.59 11073.27  1685.10  9714.83  1737.32  164.576   12.709  153.953   14.053 10.62259 18.94712 
1 1 1  -15    3    9 o  579.094   19.890 136508.59  9352.38 143057.09 13217.01 129941.60 13235.54  592.107   27.491  563.415   29.030 28.69275 39.98169 
1 1 1  -15    3   10 o  1164.04   39.288 557194.31 37133.80 565750.81 52505.27 548631.31 52524.97  1165.58   55.478  1147.34   56.381 18.24304 79.09900 
1 1 1  -15    3   11 o  794.934   26.671 258891.00 17215.18 265959.09 24336.18 251811.70 24355.71  802.229   37.361  780.196   38.447 22.03314 53.60947 
1 1 1  -15    3   12 o  534.307   26.167 117438.80 11352.23 119873.80 16051.91 115002.30 16057.05  535.082   37.177  523.684   38.022 11.39850 53.17664 
1 1 1  -15    3   13 o  168.932   7.2413 11600.79  993.276 11733.74  1398.92 11465.61  1410.57  169.486   10.213  167.510   10.423 1.975616 14.59226 
1 1 1  -15    3   14 o  211.005   8.3374 18111.32  1428.44 18318.08  2009.55 17900.15  2030.86  211.680   11.738  209.210   12.005 2.469528 16.79009 
1 1 1  -15    3   15 f  138.141   6.7333  7759.25  755.247  7526.37  1048.83  8010.05  1088.43  135.610   9.5870  139.915   9.6396 -4.304596 13.59526 
1 1 1  -15    3   16 o  181.105   7.8184 13349.00  1149.71 12962.51  1615.72 13745.42  1636.34  177.878   11.245  183.219   11.051 -5.340454 15.76603 
1 1 1  -15    3   17 o   43.539   9.9735  804.226  345.011  1226.40  433.219   72.171  570.470   53.937   10.267   31.674   13.248 22.26268 16.76050 
1 1 1  -15    3   18 o  120.874   6.9167  5969.51  676.024  5491.91  953.637  6451.96  958.466  115.461   10.280  125.343   9.4879 -9.882034 13.98893 
1 1 1  -15    3   19 o   48.146   11.675  991.472  451.698  1042.68  599.631  924.302  686.802   49.577   14.181   47.800   15.491 1.776554 21.00149 
1 1 1  -15    3   20 o  313.570   11.431 40688.77  2910.47 39216.99  4100.76 42182.67  4131.46  304.229   16.664  315.942   16.159 -11.71371 23.21210 
1 1 1  -15    3   21 o   22.748   9.6386   16.452  308.290  159.555  365.322 -337.5742  574.607   27.269   10.903   26.539   12.091 0.7297668 16.28131 
1 1 1  -15    3   22 o  114.077   8.5448  5410.25  785.725  5466.59  1081.95  5347.37  1142.92  113.438   11.925  111.803   12.822 1.635094 17.51007 
1 1 1  -15    3   23 o  212.056   9.4705 18800.51  1630.65 18609.36  2314.84 18988.79  2297.42  207.228   13.837  209.586   13.573 -2.357880 19.38265 
1 1 1  -15    3   24 o   28.625   11.868  131.417  452.204  695.524  576.299 -772.3826  729.463   40.886   14.197   26.465   12.563 14.42153 18.95787 
1 1 1  -15    3   25 o   44.303   13.678  903.725  541.389  1830.45  689.138 -590.2818  874.999   62.550   13.927   30.450   14.238 32.09921 19.91659 
1 1 1  -15    3   26 o   35.364   13.494  501.700  538.629  475.285  632.718  571.234  1026.56   36.037   14.369   41.345   17.557 -5.307858 22.68748 
1 1 1  -15    5    2 o  418.184   20.560 71400.34  6981.04 69245.07  9894.02 73537.13  9851.49  409.474   29.966  422.280   28.906 -12.80624 41.63564 
1 1 1  -15    5    3 o  166.236   9.5684 11268.56  1286.07 10758.00  1829.10 11767.77  1808.64  161.989   14.045  169.562   13.242 -7.573105 19.30317 
1 1 1  -15    5    4 o  259.580   13.452 27478.77  2825.51 25355.87  4001.25 29590.31  3990.54  248.619   19.990  268.895   18.388 -20.27599 27.16059 
1 1 1  -15    5    5 o  561.341   22.358 128472.60 10190.43 110992.70 17677.42 137172.41 12471.14  517.246   42.465  579.538   26.502 -62.29230 50.05667 
1 1 1  -15    5    6 o  549.934   21.713 123213.20  9695.43 111237.50 16815.07 129177.50 11866.64  518.812   40.231  562.661   25.974 -43.84869 47.88721 
1 1 1  -15    5    7 o  558.671   22.062 127130.60 10007.80 123580.30 12247.75 134263.30 17360.28  550.325   27.409  571.135   37.646 -20.81079 46.56730 
1 1 1  -15    5    8 o  390.862   15.810 62123.10  5017.54 67069.48  8633.53 59600.36  6165.69  404.691   26.419  382.145   19.940 22.54599 33.09929 
1 1 1  -15    5    9 o  1025.23   33.963 430205.59 28272.54 434580.31 39969.84 425825.00 39997.00  1026.31   47.964  1015.74   48.496 10.57214 68.20860 
1 1 1  -15    5   10 o  408.908   14.053 68008.26  4665.93 68001.45  6585.57 68015.13  6611.75  408.512   19.854  408.547   19.931 -0.3524780E-01 28.13259 
1 1 1  -15    5   11 o  934.391   31.647 359653.19 24010.13 379985.59 33941.26 339286.91 33969.66  954.145   43.810  898.842   46.706 55.30298 64.03703 
1 1 1  -15    5   12 o  507.230   20.262 105353.30  8345.03 106882.50 10208.92 102273.90 14487.03  509.851   24.660  493.865   36.383 15.98529 43.95306 
1 1 1  -15    5   13 o  323.676   11.625 42677.64  3055.31 44741.36  4304.35 40581.95  4337.56  330.907   16.020  314.567   17.046 16.34024 23.39234 
1 1 1  -15    5   14 f  215.371   8.5063 18871.38  1487.54 19381.46  2085.51 18343.12  2122.37  217.727   11.841  211.725   12.400 6.002609 17.14544 
1 1 1  -15    5   15 o   99.170   6.4744  4015.56  518.477  4520.25  706.512  3426.57  763.246  105.060   8.3510   91.096   10.512 13.96407 13.42515 
1 1 1  -15    5   16 o  331.718   11.904 44940.63  3206.28 45441.37  4517.26 44432.25  4551.66  332.173   16.803  328.362   17.131 3.810272 23.99618 
1 1 1  -15    5   17 o  242.202   9.6139 23929.34  1890.66 23406.36  2647.62 24473.52  2700.76  238.569   13.726  243.973   13.689 -5.403412 19.38507 
1 1 1  -15    5   18 o   80.430   7.3128  2657.61  472.358  2603.81  605.937  2740.94  754.154   79.261   9.6118   80.948   11.823 -1.686882 15.23690 
1 1 1  -15    5   19 o  175.283   8.2867 12564.84  1179.39 13129.92  1626.49 11938.27  1712.68  178.284   11.294  169.629   12.523 8.655258 16.86383 
1 1 1  -15    5   20 o  146.756   7.8888  8852.88  936.590  8485.87  1288.37  9264.20  1363.93  142.779   11.203  149.173   11.346 -6.394073 15.94476 
1 1 1  -15    5   21 o  116.776   7.5980  5624.44  716.508  6176.99  957.005  4919.61  1080.85  121.800   9.7587  107.687   12.600 14.11330 15.93676 
1 1 1  -15    5   22 o  212.809   9.2170 18799.37  1592.64 17031.25  2229.33 20642.37  2276.04  199.407   13.855  220.460   12.770 -21.05264 18.84191 
1 1 1  -15    5   23 o  207.456   9.2603 17988.76  1559.87 17054.87  2189.56 18951.22  2222.81  198.285   13.683  209.586   13.128 -11.30077 18.96258 
1 1 1  -15    5   24 o   42.706   12.265  813.242  447.721  578.685  535.954  1354.97  814.503   38.144   13.652   53.886   16.800 -15.74184 21.64747 
1 1 1  -15    5   25 o  114.377   9.9450  5680.19  914.402  4911.62  1174.05  6865.27  1457.87  102.733   14.476  120.916   15.184 -18.18306 20.97859 
1 1 1  -15    5   26 o   83.248   10.512  3131.39  694.741  2950.82  858.031  3475.14  1183.84   77.810   14.100   79.691   18.629 -1.881073 23.36386 
1 1 1  -15    7    1 o  475.660   23.295 92378.69  8996.93 96362.60 12760.24 88440.23 12687.25  483.413   32.701  462.728   34.006 20.68478 47.17821 
1 1 1  -15    7    2 o  250.165   13.330 25524.53  2697.82 25287.07  3859.46 25751.43  3772.62  248.371   19.289  250.731   18.665 -2.360596 26.84080 
1 1 1  -15    7    3 o  511.843   25.009 106971.70 10393.85 102353.80 14732.51 111548.00 14665.96  497.734   36.713  520.137   34.929 -22.40283 50.67382 
1 1 1  -15    7    4 o  657.658   31.660 177038.91 16906.47 178086.00 23934.60 175996.09 23884.22  655.338   45.258  651.407   45.441 3.930603 64.13390 
1 1 1  -15    7    5 o  470.040   22.725 90041.80  8673.17 96656.05 12289.09 83477.63 12242.48  485.170   31.363  450.318   33.727 34.85199 46.05592 
1 1 1  -15    7    6 o  1139.00   54.859 537523.31 50734.96 546853.81 71773.54 528204.88 71726.63  1134.65   78.385  1114.16   79.815 20.49756 111.8688 
1 1 1  -15    7    7 o  923.801   36.395 349402.81 27299.62 325662.19 47329.29 361239.19 33419.20  880.906   66.664  937.529   43.901 -56.62323 79.82068 
1 1 1  -15    7    8 o  749.796   36.210 230222.91 22045.26   0.0000   0.0000 230222.91 22045.26  ?   ?   749.796   36.210 0.000000 36.21042 
1 1 1  -15    7    9 o  225.956   8.0703 20738.66  1480.64 22885.40  2085.89 18558.46  2102.09  237.314   10.825  213.331   12.186 23.98221 16.29976 
1 1 1  -15    7   10 o  766.204   25.741 240170.41 16014.52 254168.80 22636.61 226143.91 22659.31  785.525   35.491  739.301   37.875 46.22449 51.90436 
1 1 1  -15    7   11 o  775.827   30.501 248300.50 19214.12 266534.81 33313.32 239210.91 23520.58  790.342   52.206  757.106   38.386 33.23627 64.79923 
1 1 1  -15    7   12 o  436.548   15.010 77768.27  5320.62 77406.80  7510.14 78132.52  7538.93  434.407   21.292  436.443   21.274 -2.035400 30.09839 
1 1 1  -15    7   13 o  741.739   24.954 227035.91 15029.11 226747.09 21239.75 227325.59 21269.04  735.149   35.582  736.083   35.586 -0.9345093 50.32388 
1 1 1  -15    7   14 o  299.095   10.528 36443.08  2556.76 36051.45  3593.07 36844.79  3638.97  296.596   14.968  300.220   14.928 -3.624298 21.13973 
1 1 1  -15    7   15 o   65.128   6.7712  1743.51  352.836  1520.55  469.052  2034.11  535.494   60.306   9.9244   70.006   9.6796 -9.700214 13.86318 
1 1 1  -15    7   16 o  193.416   7.8931 15229.87  1239.60 14054.64  1720.97 16497.03  1787.01  185.165   11.503  200.743   11.005 -15.57762 15.92008 
1 1 1  -15    7   17 o  447.419   15.872 82401.59  5766.24 85250.63  8136.58 79527.02  8172.93  452.153   22.162  435.609   23.190 16.54373 32.07761 
1 1 1  -15    7   18 o  302.264   10.969 37435.39  2692.22 35173.52  3776.00 39774.02  3839.54  291.062   16.039  310.242   15.242 -19.18042 22.12643 
1 1 1  -15    7   19 o  197.037   8.2914 15889.39  1326.51 13219.59  1823.36 18891.22  1933.42  178.344   12.674  213.866   11.173 -35.52133 16.89547 
1 1 1  -15    7   20 o   84.516   7.6459  2951.20  519.011  3116.29  666.390  2696.66  827.474   86.434   9.6605   79.359   13.313 7.075256 16.44886 
1 1 1  -15    7   21 o  159.085   8.4679 10461.99  1089.87 11007.42  1473.53  9803.23  1619.38  162.091   11.266  152.021   13.252 10.06972 17.39335 
1 1 1  -15    7   22 o   56.703   11.027  1391.54  489.407  1505.34  566.378  1056.12  972.355   58.671   12.283   51.252   18.384 7.419060 22.10982 
1 1 1  -15    7   23 o   23.970   10.554 -83.6578  398.686 -241.3304  444.343  567.471  902.971   23.413   10.654   43.260   17.192 -19.84748 20.22515 
1 1 1  -15    7   24 o   62.101   10.557  1688.42  513.263  1559.60  587.083  2106.23  1057.28   58.765   12.676   65.387   18.868 -6.622349 22.73073 
1 1 1  -15    7   25 o   47.115   13.034  1039.46  515.475  881.468  570.492  1742.10  1203.10   43.588   14.118   57.385   20.464 -13.79679 24.86097 
1 1 1  -15    7   26 o   31.075   12.086  353.418  438.032  333.905  473.099  470.601  1159.37   31.264   12.438   40.934   18.010 -9.670378 21.88770 
1 1 1  -15    9    1 o  458.708   18.328 85651.14  6826.32 83382.20 11819.56 86786.77  8361.91  450.166   32.556  461.444   22.318 -11.27893 39.47103 
1 1 1  -15    9    2 o  448.439   22.013 81950.00  8015.40 85749.48 11375.89 78204.03 11295.49  456.875   30.846  435.991   32.134 20.88373 44.54282 
1 1 1  -15    9    3 o  863.331   60.332 312104.50 42026.95 312104.50 42026.95   0.0000   0.0000  863.331   60.332  ?   ?  0.000000 60.33247 
1 1 1  -15    9    4 o  773.772   37.112 245410.30 23316.79 250967.20 33018.41 239882.50 32931.60  777.072   52.641  759.263   53.765 17.80908 75.24477 
1 1 1  -15    9    6 f  1245.76   88.291 663756.62 88728.55 663756.62 88728.55   0.0000   0.0000  1245.76   88.291  ?   ?  0.000000 88.29065 
1 1 1  -15    9    7 o  418.679   15.254 71273.12  5185.72 100761.10  9062.76 56918.45  6323.17  497.375   22.441  373.317   20.945 124.0580 30.69646 
1 1 1  -15    9    8 o  366.781   14.650 54703.69  4362.83 63623.49  7638.44 50384.82  5315.12  394.307   23.972  351.333   18.699 42.97437 30.40223 
1 1 1  -15    9    9 o  995.475   39.397 408614.09 31844.59 433223.81 55229.57 396358.00 38975.72  1007.89   67.882  974.994   49.394 32.89410 83.95115 
1 1 1  -15    9   10 o  397.362   16.210 64355.22  5230.02 63763.64  9128.14 64644.32  6381.29  392.860   28.817  397.876   19.753 -5.016205 34.93673 
1 1 1  -15    9   11 o  312.560   14.292 39829.68  3627.26 40411.55  4440.53 38662.88  6288.11  314.029   17.485  305.507   25.585 8.521423 30.98831 
1 1 1  -15    9   12 o  418.836   14.200 71570.09  4829.13 69728.32  6821.30 73420.67  6837.58  412.342   20.374  423.217   19.898 -10.87488 28.47814 
1 1 1  -15    9   13 o  398.700   14.022 64894.55  4539.20 66283.57  6410.73 63498.00  6428.10  401.875   19.646  392.712   20.228 9.163239 28.19813 
1 1 1  -15    9   14 o  242.959   8.4792 24022.23  1672.73 22908.29  2354.85 25156.76  2376.50  236.632   12.298  248.354   11.785 -11.72145 17.03343 
1 1 1  -15    9   15 o  171.219   7.9017 11931.37  1098.53 12481.56  1537.69 11357.88  1569.92  174.593   10.901  166.406   11.693 8.186569 15.98662 
1 1 1  -15    9   16 o  369.972   13.548 56057.93  4070.00 56216.27  5740.28 55897.87  5771.55  368.389   19.257  367.279   19.423 1.110077 27.35114 
1 1 1  -15    9   17 o  275.011   10.080 30895.72  2250.86 27635.59  3158.34 34260.54  3208.65  258.683   15.102  288.849   13.681 -30.16684 20.37758 
1 1 1  -15    9   18 f  256.936   9.7055 27026.42  2024.81 26058.77  2846.83 28017.09  2880.48  250.787   14.037  260.195   13.682 -9.407806 19.60180 
1 1 1  -15    9   19 o   91.969   7.6483  3483.98  565.962  3526.21  725.758  3418.44  904.090   92.098   9.8583   89.965   12.732 2.132660 16.10253 
1 1 1  -15    9   20 o  113.068   7.6205  5267.40  695.542  5359.24  900.408  5131.51  1095.27  113.499   9.8686  110.260   12.452 3.238724 15.88836 
1 1 1  -15    9   21 o  184.449   8.6846 14054.23  1300.66 12636.66  1804.26 15587.87  1876.68  172.655   12.965  192.374   12.076 -19.71806 17.71748 
1 1 1  -15    9   22 o   97.284   8.6963  3957.95  679.691  3408.40  830.786  5070.38  1182.00   89.132   11.767  108.011   13.793 -18.87917 18.13002 
1 1 1  -15    9   23 o   75.959   9.3683  2454.85  565.556  2106.27  674.935  3276.59  1036.27   69.069   12.495   84.889   15.610 -15.82021 19.99451 
1 1 1  -15    9   24 o  108.863   9.7226  5084.17  850.370  4820.44  1012.04  5717.59  1568.40  104.439   12.162  108.578   18.450 -4.139664 22.09800 
1 1 1  -15    9   25 o   41.068   12.132  779.658  432.562  954.057  470.854 -163.6196  1095.05   45.150   12.444   36.693   16.708 8.456158 20.83277 
1 1 1  -15   11    1 o  940.598   36.724 362352.19 28047.62 403550.00 48597.24 341775.31 34345.05  983.277   61.172  909.926   46.643 73.35107 76.92577 
1 1 1  -15   11    2 o  685.076   33.211 191908.09 18473.67 189828.70 26166.20 193974.70 26085.41  677.138   47.900  684.716   47.207 -7.578125 67.25298 
1 1 1  -15   11    3 o  724.354   35.395 214710.50 20817.86 195458.59 29491.26 233831.30 29390.80  685.719   53.388  751.859   48.401 -66.13971 72.06194 
1 1 1  -15   11    4 o  524.802   25.643 112269.70 10926.83 111280.10 15512.16 113244.30 15394.27  520.070   36.975  524.779   36.352 -4.708313 51.85202 
1 1 1  -15   11    5 o  777.687   37.314 247658.30 23561.91 251922.09 33382.41 243425.41 33261.07  779.241   53.076  765.693   53.841 13.54779 75.60416 
1 1 1  -15   11    6 o  404.010   19.503 66431.62  6397.92 78275.69  9104.72 54878.01  8992.38  437.396   25.750  365.280   30.601 72.11578 39.99311 
1 1 1  -15   11    7 o  197.772   10.561 15938.22  1689.84   0.0000   0.0000 15938.22  1689.84  ?   ?   197.772   10.561 0.000000 10.56126 
1 1 1  -15   11    8 o  807.258   30.528 267004.69 20010.32 314650.31 34777.48 243424.41 24465.93  868.576   49.517  767.501   39.392 101.0747 63.27465 
1 1 1  -15   11    9 o   71.705   6.5676  2106.20  378.129  1741.95  785.644  2216.01  431.380   64.119   15.303   73.489   7.3271 -9.370209 16.96674 
1 1 1  -15   11   10 o   48.779   7.7914  991.270  298.212   74.185  705.450  1190.81  329.059   35.113   14.712   53.569   7.7938 -18.45617 16.64923 
1 1 1  -15   11   11 o  439.487   21.319 79246.45  7607.49 85617.91 10858.79 73104.79 10661.16  453.695   29.640  418.388   31.616 35.30734 43.33670 
1 1 1  -15   11   12 o  502.937   20.061 103791.70  8192.46 109654.80 14300.06 100927.20  9995.35  510.523   34.703  493.902   25.006 16.62152 42.77372 
1 1 1  -15   11   13 o   28.241   10.506  246.533  321.947  647.072  633.081  106.816  373.905   42.387   14.871   26.781   10.914 15.60607 18.44617 
1 1 1  -15   11   14 o  201.188   8.0293 16471.41  1311.64 15406.89  1849.81 17547.83  1860.11  193.961   11.802  207.144   11.100 -13.18254 16.20136 
1 1 1  -15   11   15 o  260.503   10.768 27689.28  2277.65 28917.72  3211.51 26446.07  3230.74  265.190   14.976  253.387   15.781 11.80234 21.75606 
1 1 1  -15   11   16 o  257.313   9.6136 27011.27  2008.55 24968.89  2829.93 29084.54  2851.24  246.289   14.212  266.437   13.180 -20.14777 19.38218 
1 1 1  -15   11   17 f  124.540   7.1044  6339.84  715.438  6534.47  958.798  6095.33  1074.65  126.124   9.4307  121.523   11.011 4.601013 14.49733 
1 1 1  -15   11   18 o   34.774   9.2211  512.914  264.605  782.604  291.077 -770.7946  635.050   42.981   8.6402   24.701   11.725 18.27938 14.56469 
1 1 1  -15   11   19 o  251.247   9.7951 26001.05  1998.24 25088.33  2817.05 26925.38  2834.91  244.468   14.253  253.533   13.823 -9.064133 19.85556 
1 1 1  -15   11   20 o  169.413   8.1646 11805.84  1123.11 10965.97  1556.78 12717.40  1621.86  161.680   11.943  174.362   11.521 -12.68272 16.59411 
1 1 1  -15   11   21 o   33.960   11.026  470.205  347.874  408.664  386.592  732.098  797.505   33.003   11.618   44.854   16.566 -11.85129 20.23349 
1 1 1  -15   11   22 o   32.627   11.427  408.007  373.704  198.412  414.066  1328.60  867.787   29.059   11.612   54.503   17.387 -25.44379 20.90759 
1 1 1  -15   11   23 o  100.197   8.5169  4229.33  686.331  4676.52  819.372  3177.77  1256.47  104.827   9.7378   80.867   19.387 23.96044 21.69532 
1 1 1  -15   11   24 o   82.163   10.067  2937.19  657.539  2778.80  717.400  3769.25  1644.26   79.106   11.506   82.086   23.483 -2.980766 26.15087 
1 1 1  -15   11   25 o   45.044   11.390  944.256  416.856  1188.29  442.417 -986.4629  1244.41   50.801   11.041   33.497   16.042 17.30365 19.47387 
1 1 1  -15   13    1 o  658.021   26.253 176507.80 14026.64 161923.20 24326.35 183771.80 17167.96  625.433   48.276  670.820   31.519 -45.38660 57.65440 
1 1 1  -15   13    2 o  841.300   40.948 290243.91 27971.88 265604.00 39601.00 314777.59 39515.56  797.573   61.628  870.606   56.200 -73.03204 83.40527 
1 1 1  -15   13    3 o  282.788   15.294 32607.54  3498.70 30779.86  5004.82 34354.38  4892.89  273.980   22.702  289.756   20.938 -15.77576 30.88300 
1 1 1  -15   13    4 o  349.716   18.178 49891.80  5143.98 45679.09  7338.17 53961.83  7212.84  333.526   27.337  363.042   24.614 -29.51569 36.78551 
1 1 1  -15   13    5 o  152.592   9.9850  9500.23  1230.32 11110.93  1821.06  8147.65  1668.78  164.753   13.738  140.780   14.822 23.97269 20.20935 
1 1 1  -15   13    6 o  774.862   54.093 250834.70 33819.80   0.0000   0.0000 250834.70 33819.80  ?   ?   774.862   54.093 0.000000 54.09310 
1 1 1  -15   13    7 o  520.956   25.161 110944.80 10643.16 119368.70 15133.63 102700.90 14971.10  537.596   34.858  497.852   37.307 39.74432 51.05705 
1 1 1  -15   13    8 o  429.427   17.469 75203.69  6091.03 80213.95 10715.37 72811.94  7403.47  440.568   30.135  421.483   21.707 19.08490 37.13891 
1 1 1  -15   13    9 o  662.729   24.821 180438.50 13356.77 223627.50 23299.06 159296.50 16301.40  730.296   39.438  619.281   32.533 111.0145 51.12476 
1 1 1  -15   13   10 o  594.889   28.342 146311.70 13689.86 155780.59 19513.76 137134.80 19210.56  607.396   39.787  568.536   41.910 38.86066 57.78766 
1 1 1  -15   13   11 f  704.463   28.157 205595.30 16106.09 208946.41 28062.79 203949.30 19667.86  693.796   50.153  698.018   34.702 -4.222229 60.98793 
1 1 1  -15   13   12 o  479.386   19.564 94354.70  7615.14 91009.24 13360.48 95964.53  9267.97  463.558   35.773  482.209   23.671 -18.65100 42.89510 
1 1 1  -15   13   13 o  141.558   8.1238  8180.58  929.848  8666.42  1838.36  8013.56  1077.90  144.625   15.918  139.953   9.5424 4.672272 18.55947 
1 1 1  -15   13   14 o  335.159   13.935 45963.88  3792.33 48024.63  6759.37 45017.22  4581.31  338.924   24.733  330.606   17.125 8.318359 30.08294 
1 1 1  -15   13   15 o   59.605   11.112  1497.24  518.000  211.539  1195.69  1794.29  574.734   46.237   19.245   65.374   11.232 -19.13707 22.28323 
1 1 1  -15   13   16 o  132.963   8.7275  7241.64  937.001 10511.20  1909.77  6205.05  1075.33  159.143   14.955  122.707   10.906 36.43610 18.50936 
1 1 1  -15   13   17 f  194.759   10.389 15588.75  1636.96 13289.29  3042.74 16525.38  1941.93  176.135   21.737  200.140   12.005 -24.00504 24.83160 
1 1 1  -15   13   18 o  116.221   10.189  5597.86  951.795  6492.75  2224.78  5397.38  1053.03  120.491   23.584  113.770   11.560 6.720978 26.26509 
1 1 1  -15   13   19 o  105.678   7.3837  4598.30  629.593  5105.78  813.401  3839.89  994.374  110.996   9.1054   94.996   13.253 16.00026 16.07911 
1 1 1  -15   13   20 o  131.336   8.0511  7128.62  854.427  7328.15  1122.23  6853.45  1317.91  132.352   10.530  127.006   12.961 5.345856 16.69946 
1 1 1  -15   13   21 o   53.704   17.371  1261.01  863.935 -79.0291  2323.74  1475.95  930.645   56.070   25.036   57.472   17.964 -1.401936 30.81390 
1 1 1  -15   13   22 o   45.439   10.597  904.990  383.797  1023.71  420.720  316.267  936.872   48.277   10.981   40.794   17.012 7.482521 20.24837 
1 1 1  -15   13   23 o  132.479   8.7185  7413.05  932.602  7673.10  1196.28  7010.12  1489.07  133.169   11.167  124.204   15.074 8.965057 18.75955 
1 1 1  -15   13   24 o   50.178   10.934  1138.71  432.876  1195.80  461.596  722.321  1246.67   51.255   11.387   46.374   19.501 4.880436 22.58233 
1 1 1  -15   13   25 o   45.980   11.147  991.015  411.856  1143.59  432.581 -487.8311  1346.75   49.526   11.039   36.771   17.340 12.75477 20.55578 
1 1 1  -15   15    1 o  672.198   26.704 184356.70 14575.08 184963.09 25297.85 184055.41 17832.08  668.294   46.918  670.813   32.739 -2.519470 57.21117 
1 1 1  -15   15    2 o  589.271   23.839 141555.41 11406.14 134310.30 19772.72 145168.70 13963.71  569.798   43.055  596.177   28.846 -26.37885 51.82512 
1 1 1  -15   15    3 f  740.668   36.577 225046.70 21997.37 199226.91 31176.75 250643.20 31041.65  689.961   56.137  776.853   49.469 -86.89252 74.82355 
1 1 1  -15   15    4 o  535.138   26.058 116960.30 11322.71 124750.30 16102.94 109342.50 15924.02  549.987   36.263  514.248   38.414 35.73889 52.82615 
1 1 1  -15   15    5 o  752.614   52.998 237918.70 32180.14   0.0000   0.0000 237918.70 32180.14  ?   ?   752.614   52.998 0.000000 52.99796 
1 1 1  -15   15    6 o  315.446   16.480 40654.35  4206.49 42692.39  6050.52 38747.73  5852.20  322.293   23.277  306.895   23.668 15.39764 33.19641 
1 1 1  -15   15    7 o  807.758   39.172 271709.91 25692.06 284119.69 36438.34 259441.09 36230.68  814.234   55.445  776.078   57.912 38.15643 80.17503 
1 1 1  -15   15    8 o  405.187   20.001 67197.43  6580.43 74197.86  9415.31 60512.52  9200.68  423.385   27.538  381.485   29.944 41.90009 40.68118 
1 1 1  -15   15    9 o  107.463   7.7930  4719.59  675.365  1956.70  1424.12  5521.24  767.112   69.761   22.275  116.242   8.1797 -46.48042 23.72958 
1 1 1  -15   15   10 o  161.919   8.9763 10698.63  1175.52  7334.63  2275.27 11923.55  1372.96  131.882   22.024  170.871   9.9387 -38.98891 24.16282 
1 1 1  -15   15   11 o  516.339   21.428 109684.60  8983.80 102499.20 15785.33 113126.90 10925.84  489.756   40.045  522.855   25.736 -33.09827 47.60197 
1 1 1  -15   15   12 o  388.088   16.021 61672.25  5048.45 60918.39  8983.40 62020.23  6103.40  380.907   29.270  388.421   19.352 -7.514679 35.08883 
1 1 1  -15   15   13 o  229.253   10.492 21428.88  1953.04 22062.05  3662.63 21177.31  2308.65  230.558   19.756  227.353   12.555 3.204330 23.40733 
1 1 1  -15   15   14 o   50.927   10.509  1097.00  420.140  112.723  1190.99  1236.90  449.006   45.220   19.040   54.134   10.594 -8.914558 21.78942 
1 1 1  -15   15   15 o  113.692   8.9215  5303.25  816.968  4369.00  1785.04  5550.79  918.851  100.434   22.453  116.204   9.8306 -15.76983 24.51070 
1 1 1  -15   15   16 o  311.402   13.452 39917.34  3401.25 41277.80  6216.46 39336.06  4063.41  310.710   24.848  307.726   16.321 2.983582 29.72902 
1 1 1  -15   15   17 o   77.948   11.278  2551.44  693.038  4297.80  2034.35  2322.16  737.131   97.599   25.419   73.964   12.733 23.63435 28.42996 
1 1 1  -15   15   18 o  171.482   10.334 12177.03  1432.22 13431.89  3162.94 11853.38  1606.33  173.815   22.974  168.678   11.803 5.137146 25.82866 
1 1 1  -15   15   19 o  168.075   10.622 11767.51  1442.11 12640.19  3289.14 11559.83  1604.56  165.100   25.346  166.008   11.984 -0.9079437 28.03615 
1 1 1  -15   15   20 o   88.386   12.589  3354.15  877.899  2871.50  2234.77  3442.22  954.645   78.163   27.888   89.162   13.618 -10.99876 31.03563 
1 1 1  -15   15   21 o   61.205   16.483  1709.00  837.443  2478.40  2278.02  1588.77  900.499   72.793   27.756   59.006   17.522 13.78636 32.82422 
1 1 1  -15   15   22 o   98.846   14.421  4370.01  1123.35  4219.91  2820.69  4398.31  1224.66   84.093   31.135   98.238   15.896 -14.14581 34.95804 
1 1 1  -15   15   23 o   39.748   17.756 -49.6621  1170.16   0.0000   0.0000 -49.6621  1170.16  ?   ?    39.748   17.756 0.000000 17.75572 
1 1 1  -15   15   24 o   32.616   15.939 -1748.9480  1396.35   0.0000   0.0000 -1748.9480  1396.35  ?   ?    32.616   15.939 0.000000 15.93894 
1 1 1  -15   17    1 o  753.200   30.158 232720.00 18444.06 215049.80 32036.33 241480.70 22557.55  713.262   55.760  765.478   36.293 -52.21613 66.53093 
1 1 1  -15   17    2 o  611.764   30.468 153651.59 15134.66   0.0000   0.0000 153651.59 15134.66  ?   ?   611.764   30.468 0.000000 30.46846 
1 1 1  -15   17    3 o  262.737   20.909 28362.70  4423.63   0.0000   0.0000 28362.70  4423.63  ?   ?   262.737   20.909 0.000000 20.90873 
1 1 1  -15   17    4 o  1081.88   53.595 495583.81 47080.39 498664.31 66688.35 492522.91 66475.61  1058.94   78.112  1052.07   78.380 6.874634 110.6567 
1 1 1  -15   17    5 o  717.965   34.962 213684.59 20381.36 224068.50 28941.73 203468.41 28706.89  726.336   49.367  690.621   51.565 35.71484 71.38611 
1 1 1  -15   17    6 o  449.420   22.146 82794.15  8081.39 92051.48 11545.75 73902.55 11315.37  470.978   30.353  420.811   33.391 50.16757 45.12477 
1 1 1  -15   17    7 o  505.842   24.843 105283.10 10203.68 112717.70 14561.28 98110.40 14302.56  519.036   34.752  483.244   36.726 35.79175 50.56166 
1 1 1  -15   17    8 o  314.815   17.194 40638.04  4378.55 37126.73  6328.44 43862.48  6064.42  298.840   26.350  325.848   23.070 -27.00839 35.02258 
1 1 1  -15   17    9 o  665.900   26.159 183267.80 14143.88 187681.41 24786.95 181136.91 17223.10  659.974   46.553  659.026   32.186 0.9488525 56.59659 
1 1 1  -15   17   10 o  201.128   8.8198 16460.88  1440.36 19500.40  2789.33 15355.68  1681.96  217.786   15.883  193.859   10.727 23.92673 19.16625 
1 1 1  -15   17   11 o  199.764   9.1921 16247.09  1490.97 17811.43  2880.50 15674.60  1742.56  207.729   17.233  195.787   11.006 11.94205 20.44812 
1 1 1  -15   17   12 o   44.216   10.528  829.141  372.550  693.838  1093.27  846.917  396.268   49.961   19.186   44.689   10.996 5.272713 22.11374 
1 1 1  -15   17   13 o  409.517   17.061 68975.22  5672.94 64385.68 10147.48 71061.71  6842.01  387.964   32.513  414.544   20.327 -26.57965 38.34394 
1 1 1  -15   17   14 o  249.869   11.814 25539.42  2396.92 22465.18  4524.81 26738.58  2826.00  230.314   24.575  254.982   13.700 -24.66743 28.13609 
1 1 1  -15   17   15 o  236.762   11.585 22976.85  2227.14 18713.33  4273.23 24566.86  2609.59  208.429   25.801  244.124   13.214 -35.69518 28.98821 
1 1 1  -15   17   16 o  271.572   12.907 30456.39  2845.98 26557.96  5318.00 32020.98  3369.02  245.464   27.136  277.255   15.021 -31.79094 31.01620 
1 1 1  -15   17   17 o   25.469   11.406 -206.1541  486.205 -1009.5890  2041.08 -157.8215  500.616   49.845   22.740   26.489   11.736 23.35547 25.59008 
1 1 1  -15   17   18 o   87.437   11.778  3234.39  814.914  3683.98  2493.43  3180.62  862.265   88.534   29.558   86.432   12.662 2.102051 32.15555 
1 1 1  -15   17   19 o  126.005   11.003  6669.85  1114.49  5875.07  2718.63  6830.40  1221.88  107.620   29.992  127.135   11.978 -19.51566 32.29490 
1 1 1  -15   17   20 o   90.309   13.092  3533.54  932.005  3727.50  2962.58  3512.24  981.857   85.112   31.830   89.671   13.938 -4.558861 34.74755 
1 1 1  -15   17   21 o   32.040   14.211 -150.1197  736.051  3227.44  2411.39 -497.1422  772.939   78.039   28.809   29.744   13.725 48.29526 31.91109 
1 1 1  -15   17   22 o   49.167   17.963  1042.38  933.886  3524.01  2818.93  736.428  989.781   76.269   30.355   45.599   18.038 30.67054 35.30946 
1 1 1  -15   17   23 o   61.035   22.138  2040.33  1414.88   0.0000   0.0000  2040.33  1414.88  ?   ?    61.035   22.138 0.000000 22.13829 
1 1 1  -15   17   24 o   38.616   17.812 -103.8126  1299.81   0.0000   0.0000 -103.8126  1299.81  ?   ?    38.616   17.812 0.000000 17.81244 
1 1 1  -15   19    1 o  643.128   46.661 175447.59 24200.33   0.0000   0.0000 175447.59 24200.33  ?   ?   643.128   46.661 0.000000 46.66071 
1 1 1  -15   19    2 o  385.323   20.528 60928.09  6399.54 58993.56  9171.51 62763.65  8933.82  376.792   30.232  389.213   28.467 -12.42090 41.52520 
1 1 1  -15   19    3 o  648.121   25.851 172804.50 13604.35 172533.80 23601.93 172939.20 16648.29  637.229   45.923  646.231   31.728 -9.001953 55.81787 
1 1 1  -15   19    4 o  765.971   38.113 245436.50 23704.10 244711.50 33648.22 246150.70 33398.51  750.815   55.589  753.571   54.963 -2.756104 78.17320 
1 1 1  -15   19    5 o  276.354   15.392 31262.77  3440.09 34534.43  5023.07 28372.75  4721.01  289.406   21.530  261.987   22.409 27.41873 31.07553 
1 1 1  -15   19    6 o  485.229   24.047 96888.66  9474.35 105297.20 13562.80 88874.95 13240.53  501.669   33.489  459.755   35.749 41.91470 48.98474 
1 1 1  -15   19    7 o   88.069   18.334  3292.22  1268.41  3292.22  1268.41   0.0000   0.0000   88.069   18.334  ?   ?  0.000000 18.33385 
1 1 1  -15   19    8 o  349.264   18.647 50141.74  5268.94 49834.43  7621.84 50423.02  7291.92  345.754   27.373  348.250   25.975 -2.496094 37.73525 
1 1 1  -15   19    9 o  537.747   26.835 120014.90 11717.21 124338.80 16759.71 115880.80 16387.83  540.004   38.475  520.866   39.032 19.13776 54.80760 
1 1 1  -15   19   10 o  389.508   17.906 62281.06  5663.01 50731.41 10195.26 67434.45  6810.21  343.651   37.128  404.006   20.831 -60.35480 42.57250 
1 1 1  -15   19   11 o  312.889   13.486 40031.06  3426.28 40145.11  6351.52 39984.25  4069.11  309.542   25.498  311.826   16.126 -2.283813 30.16942 
1 1 1  -15   19   12 o   47.979   9.9814  973.566  376.186  919.139  1051.61  981.553  402.844   52.231   19.064   48.117   10.597 4.114761 21.81175 
1 1 1  -15   19   13 o  298.369   13.595 36506.07  3293.72 31623.50  6143.51 38475.61  3901.89  271.988   28.229  305.392   15.789 -33.40363 32.34505 
1 1 1  -15   19   14 o  331.550   14.839 45323.48  3994.89 40801.06  7416.41 47172.02  4741.55  306.070   30.238  336.861   17.395 -30.79044 34.88410 
1 1 1  -15   19   15 o  168.391   9.6730 11656.41  1317.02 12787.50  2844.53 11347.78  1485.87  172.762   20.689  165.814   11.100 6.948410 23.47920 
1 1 1  -15   19   16 o  301.621   14.048 37921.64  3440.56 37670.02  6613.59 38015.01  4028.62  288.060   28.656  300.045   16.601 -11.98508 33.11738 
1 1 1  -15   19   17 o  215.293   11.377 19286.89  1981.71 21728.59  4091.23 18538.40  2265.18  220.474   23.202  210.105   13.347 10.36934 26.76715 
1 1 1  -15   19   18 o   96.538   11.325  3935.92  870.851  5140.55  2608.22  3784.78  923.870  101.405   29.743   94.296   12.364 7.109520 32.21047 
1 1 1  -15   19   19 o   67.122   15.242  2010.66  811.750  2842.85  2607.80  1921.38  854.186   78.289   29.734   65.331   16.186 12.95863 33.85432 
1 1 1  -15   19   20 o   72.839   15.304  2394.28  876.346  428.233  2462.57  2679.36  937.733   59.081   26.110   77.055   15.524 -17.97420 30.37624 
1 1 1  -15   19   21 o   53.702   18.013  1321.64  926.073 -1093.0050  3274.49  1531.56  965.489   56.641   26.810   57.072   18.353 -0.4311066 32.49032 
1 1 1  -15   19   22 f   51.836   21.762  978.112  1548.31   0.0000   0.0000  978.112  1548.31  ?   ?    51.836   21.762 0.000000 21.76180 
1 1 1  -15   19   23 o   86.878   26.437  5089.08  2031.63   0.0000   0.0000  5089.08  2031.63  ?   ?    86.878   26.437 0.000000 26.43728 
1 1 1  -15   21    1 o  141.599   12.889  8237.32  1465.70   0.0000   0.0000  8237.32  1465.70  ?   ?   141.599   12.889 0.000000 12.88917 
1 1 1  -15   21    2 o   78.895   14.333  2617.06  884.373   0.0000   0.0000  2617.06  884.373  ?   ?    78.895   14.333 0.000000 14.33327 
1 1 1  -15   21    3 o  241.375   12.349 23800.37  2412.12 25523.92  4279.02 22997.58  2920.33  248.500   21.416  236.868   15.265 11.63147 26.29989 
1 1 1  -15   21    4 o  165.021   10.956 11136.92  1459.67 12249.52  2598.11 10623.77  1764.46  171.931   18.924  160.826   13.641 11.10541 23.32780 
1 1 1  -15   21    5 o  357.551   19.460 52566.81  5628.46 52095.97  8151.22 52995.88  7781.36  353.354   28.657  356.932   27.050 -3.578064 39.40741 
1 1 1  -15   21    6 o  238.227   22.215 23552.50  4247.55 23552.50  4247.55   0.0000   0.0000  238.227   22.215  ?   ?  0.000000 22.21511 
1 1 1  -15   21    7 o   54.058   14.750  1232.45  665.418  1785.94  1157.77  959.434  813.135   65.741   19.947   50.100   16.878 15.64128 26.12963 
1 1 1  -15   21    8 o  180.035   12.932 13299.36  1877.89 12239.21  2880.25 14083.24  2476.68  171.110   21.183  184.660   16.699 -13.54987 26.97381 
1 1 1  -15   21    9 o  222.186   14.205 20271.99  2549.20 18891.58  3817.80 21382.59  3424.41  212.625   22.453  227.286   18.722 -14.66103 29.23467 
1 1 1  -15   21   10 o  255.002   15.380 26752.41  3169.56 25795.46  4720.73 27537.88  4276.93  248.137   23.719  257.395   20.638 -9.257874 31.44084 
1 1 1  -15   21   11 o  385.342   15.608 60979.80  4883.64 62723.81  8988.28 60249.30  5817.21  384.513   29.003  382.062   18.752 2.450928 34.53659 
1 1 1  -15   21   12 o  441.783   18.271 80747.84  6554.16 78073.00 11889.36 81915.57  7855.58  422.888   34.938  443.197   21.829 -20.30960 41.19719 
1 1 1  -15   21   13 o   88.474   8.9967  3229.37  637.308  1285.16  1813.40  3503.34  680.733   64.648   24.737   92.152   9.2215 -27.50449 26.40025 
1 1 1  -15   21   14 o  207.711   10.334 17706.04  1742.95 18521.46  3609.08 17458.03  1990.45  207.700   21.722  205.540   11.979 2.160233 24.80569 
1 1 1  -15   21   15 o  123.070   9.4106  6257.48  933.266  6896.62  2875.64  6182.23  986.674  121.266   29.490  122.180   10.034 -0.9141006 31.14993 
1 1 1  -15   21   16 o  105.286   9.5391  4604.96  806.628  2955.93  2833.44  4750.39  841.445   83.538   31.150  106.880   9.8052 -23.34212 32.65719 
1 1 1  -15   21   17 o   99.369   10.558  4144.15  838.820  2399.75  2981.73  4294.07  874.122   78.545   31.232  101.090   10.817 -22.54474 33.05219 
1 1 1  -15   21   18 o   93.889   13.146  3798.05  974.718  7570.27  3071.27  3375.55  1027.85  120.232   31.193   87.685   14.974 32.54696 34.60085 
1 1 1  -15   21   19 o   88.672   13.093  3424.59  914.306  6595.11  2772.62  3037.75  968.479  110.272   30.116   82.572   14.997 27.70013 33.64386 
1 1 1  -15   21   20 o   75.743   17.363  2693.30  1045.01  2144.18  2956.04  2771.73  1117.15   70.047   29.771   76.358   18.264 -6.311371 34.92666 
1 1 1  -15   21   21 o   30.233   14.202 -701.9002  888.202  3489.97  3588.49 -975.4679  916.727   73.788   32.091   29.096   13.889 44.69212 34.96769 
1 1 1  -15   21   22 o   59.542   22.744  2002.14  1531.18   0.0000   0.0000  2002.14  1531.18  ?   ?    59.542   22.744 0.000000 22.74355 
1 1 1  -15   21   23 o   50.128   21.195  1380.89  1485.78   0.0000   0.0000  1380.89  1485.78  ?   ?    50.128   21.195 0.000000 21.19542 
1 1 1  -15   23    1 o  118.080   22.952  5931.63  2121.30   0.0000   0.0000  5931.63  2121.30  ?   ?   118.080   22.952 0.000000 22.95198 
1 1 1  -15   23    2 o  426.037   23.635 75054.49  8144.06 70854.02 11603.71 79132.33 11433.06  409.377   35.253  433.959   32.687 -24.58173 48.07481 
1 1 1  -15   23    3 o  197.870   23.499 16362.88  3701.57   0.0000   0.0000 16362.88  3701.57  ?   ?   197.870   23.499 0.000000 23.49864 
1 1 1  -15   23    4 o  190.486   23.722 15198.80  3589.55   0.0000   0.0000 15198.80  3589.55  ?   ?   190.486   23.722 0.000000 23.72199 
1 1 1  -15   23    6 o  265.375   22.165 29261.88  4732.38   0.0000   0.0000 29261.88  4732.38  ?   ?   265.375   22.165 0.000000 22.16537 
1 1 1  -15   23    7 o  342.176   26.646 49051.40  7344.94   0.0000   0.0000 49051.40  7344.94  ?   ?   342.176   26.646 0.000000 26.64643 
1 1 1  -15   23    8 o   58.317   18.494  1377.70  982.920   0.0000   0.0000  1377.70  982.920  ?   ?    58.317   18.494 0.000000 18.49364 
1 1 1  -15   23    9 o  207.600   14.483 17745.52  2425.96 17391.37  3813.01 17986.37  3144.48  203.196   23.547  208.021   18.821 -4.824707 30.14437 
1 1 1  -15   23   10 o  294.222   17.251 35805.95  4103.27 37280.91  6224.25 34672.21  5456.97  296.791   26.094  287.212   23.609 9.578979 35.18870 
1 1 1  -15   23   11 o   41.013   9.3887  714.042  305.907 -1129.5460  1856.48  765.495  310.146   47.454   21.664   42.492   9.2515 4.962093 23.55717 
1 1 1  -15   23   12 o  355.904   16.023 52517.63  4630.45 49501.45  8792.91 53675.05  5446.91  333.378   32.913  357.955   18.806 -24.57721 37.90691 
1 1 1  -15   23   13 o  213.321   10.820 18757.42  1868.06 16773.64  3950.43 19328.78  2120.07  195.125   25.548  216.139   12.129 -21.01483 28.28094 
1 1 1  -15   23   14 o   53.145   11.945  1214.22  502.887  2100.97  2196.12  1165.15  516.614   73.923   27.452   52.001   12.408 21.92199 30.12605 
1 1 1  -15   23   15 o   98.488   10.425  4053.08  821.032  3034.04  3059.83  4132.15  852.287   84.981   32.225   99.371   10.733 -14.39041 33.96516 
1 1 1  -15   23   16 o  133.870   10.262  7474.96  1106.98 12465.40  3641.03  6966.69  1161.98  160.432   29.019  128.878   11.216 31.55368 31.11122 
1 1 1  -15   23   17 o   57.668   13.962  1469.32  646.779  7066.94  3279.02  1242.72  659.741  114.327   33.297   53.053   14.771 61.27367 36.42578 
1 1 1  -15   23   18 o   90.064   13.108  3527.16  930.444  4797.28  3769.08  3444.74  960.161   91.469   35.487   88.689   13.781 2.779594 38.06901 
1 1 1  -15   23   19 o   51.761   16.292  1210.47  763.949 -1111.9120  3884.54  1303.91  779.165   61.609   29.173   53.467   16.392 8.142071 33.46290 
1 1 1  -15   23   20 o   42.223   17.029  555.130  899.654 -263.5427  4283.77  592.905  920.175   62.721   29.963   42.937   17.256 19.78456 34.57618 
1 1 1  -15   23   21 o  108.136   24.389  6727.37  2090.38   0.0000   0.0000  6727.37  2090.38  ?   ?   108.136   24.389 0.000000 24.38893 
1 1 1  -15   23   22 o   43.849   19.767  432.142  1487.22   0.0000   0.0000  432.142  1487.22  ?   ?    43.849   19.767 0.000000 19.76726 
1 1 1  -15   25    1 o  324.168   28.071 44098.55  7315.83   0.0000   0.0000 44098.55  7315.83  ?   ?   324.168   28.071 0.000000 28.07133 
1 1 1  -15   25    2 o  139.641   14.899  8065.62  1663.24   0.0000   0.0000  8065.62  1663.24  ?   ?   139.641   14.899 0.000000 14.89917 
1 1 1  -15   25    3 o  659.028   26.955 180897.50 14423.64 189342.91 25257.52 176810.59 17570.38  655.407   47.791  646.273   33.599 9.134216 58.41966 
1 1 1  -15   25    4 o  133.386   13.138  7338.62  1404.39  8100.23  2598.50  7024.35  1669.18  137.887   24.086  129.934   16.171 7.953186 29.01095 
1 1 1  -15   25    5 o  340.963   16.055 47677.82  4444.82 55006.27  7932.19 44323.48  5366.49  361.917   27.191  327.170   20.302 34.74774 33.93409 
1 1 1  -15   25    6 o  293.464   27.818 36393.88  6549.50 36393.88  6549.50   0.0000   0.0000  293.464   27.818  ?   ?  0.000000 27.81847 
1 1 1  -15   25    7 o  103.293   26.942  4640.07  2283.19  4640.07  2283.19   0.0000   0.0000  103.293   26.942  ?   ?  0.000000 26.94180 
1 1 1  -15   25    8 o  245.895   26.710 25724.98  5247.10 25724.98  5247.10   0.0000   0.0000  245.895   26.710  ?   ?  0.000000 26.70990 
1 1 1  -15   25    9 o  253.604   27.167 27561.82  5507.06 27561.82  5507.06   0.0000   0.0000  253.604   27.167  ?   ?  0.000000 27.16668 
1 1 1  -15   25   11 o  211.582   16.323 18748.29  2782.50   0.0000   0.0000 18748.29  2782.50  ?   ?   211.582   16.323 0.000000 16.32257 
1 1 1  -15   25   12 o  111.399   11.189  5164.14  998.411   0.0000   0.0000  5164.14  998.411  ?   ?   111.399   11.189 0.000000 11.18927 
1 1 1  -15   25   13 o  413.424   33.430 81211.63 11125.95   0.0000   0.0000 81211.63 11125.95  ?   ?   413.424   33.430 0.000000 33.42997 
1 1 1  -15   25   14 o  227.183   18.220 22306.86  3332.72   0.0000   0.0000 22306.86  3332.72  ?   ?   227.183   18.220 0.000000 18.22022 
1 1 1  -15   25   15 o  141.215   10.489  8327.67  1194.10   0.0000   0.0000  8327.67  1194.10  ?   ?   141.215   10.489 0.000000 10.48897 
1 1 1  -15   25   16 o  108.463   10.755  4960.31  934.724   0.0000   0.0000  4960.31  934.724  ?   ?   108.463   10.755 0.000000 10.75541 
1 1 1  -15   25   17 o   16.625   8.3101 -1239.7371  465.176   0.0000   0.0000 -1239.7371  465.176  ?   ?    16.625   8.3101 0.000000 8.310146 
1 1 1  -15   25   18 o   29.827   13.488 -283.4874  698.727   0.0000   0.0000 -283.4874  698.727  ?   ?    29.827   13.488 0.000000 13.48790 
1 1 1  -15   25   19 o   43.123   15.704  762.064  713.012   0.0000   0.0000  762.064  713.012  ?   ?    43.123   15.704 0.000000 15.70427 
1 1 1  -15   25   20 o   45.318   19.810  430.761  1382.61   0.0000   0.0000  430.761  1382.61  ?   ?    45.318   19.810 0.000000 19.80986 
1 1 1  -15   25   21 o   49.372   20.383  1191.38  1325.64   0.0000   0.0000  1191.38  1325.64  ?   ?    49.372   20.383 0.000000 20.38319 
1 1 1  -15   27    1 o  283.932   18.554 33348.72  4254.05   0.0000   0.0000 33348.72  4254.05  ?   ?   283.932   18.554 0.000000 18.55432 
1 1 1  -15   27    2 o  451.480   24.760 85220.91  9042.23   0.0000   0.0000 85220.91  9042.23  ?   ?   451.480   24.760 0.000000 24.76048 
1 1 1  -15   27    3 o  385.243   18.495 61197.88  5785.44 67053.94 10463.05 58618.95  6943.46  395.561   32.875  374.844   22.923 20.71732 40.07764 
1 1 1  -15   27    4 o  233.476   14.722 22449.54  2776.61 21419.48  5132.14 22875.82  3301.52  223.558   28.953  235.028   17.424 -11.46979 33.79179 
1 1 1  -15   27    5 o  244.546   15.188 24664.62  3000.85 23279.06  5462.88 25263.39  3591.19  232.551   29.602  246.721   18.052 -14.16920 34.67213 
1 1 1  -15   27    6 o  209.022   14.867 18054.32  2506.73 20219.68  4680.04 17183.17  2968.45  217.064   27.147  202.999   18.203 14.06488 32.68508 
1 1 1  -15   27    7 o  437.121   24.043 80819.34  8500.87 87452.17 12612.58 75297.99 11507.37  444.794   35.210  413.133   34.624 31.66147 49.38181 
1 1 1  -15   27    8 o  120.237   16.643  6105.73  1581.22  3184.77  2926.56  7309.97  1879.10   89.485   31.916  131.326   18.104 -41.84142 36.69250 
1 1 1  -15   27    9 o  261.910   17.364 28783.72  3671.62 33641.56  5978.75 25842.41  4652.22  277.193   26.903  244.703   23.712 32.48970 35.86088 
1 1 1  -15   27   10 o  123.257   16.404  6463.02  1600.95  5330.52  3192.73  6843.41  1850.39  106.813   33.254  126.093   18.635 -19.27969 38.11964 
1 1 1  -15   27   11 o  243.057   12.774 24594.09  2512.23 26035.85  5722.68 24249.91  2796.06  237.184   30.416  240.552   14.381 -3.367920 33.64421 
1 1 1  -15   27   12 o  110.980   9.1168  5100.82  814.277  5336.23  3031.91  5082.52  845.334  104.564   32.382  110.687   9.4978 -6.123283 33.74600 
1 1 1  -15   27   13 o   28.001   11.631   89.908  435.429  654.005  2534.52   72.752  442.001   64.322   27.457   27.905   11.665 36.41701 29.83269 
1 1 1  -15   27   14 o  104.125   10.052  4540.18  839.307 -331.9576  3493.90  4838.55  864.625   66.581   30.130  107.530   10.018 -40.94984 31.75179 
1 1 1  -15   27   15 o   22.546   10.347 -291.0504  430.900  1845.70  3075.71 -333.8289  435.192   73.305   30.718   22.220   10.270 51.08471 32.38916 
1 1 1  -15   27   16 o   63.558   12.990  1783.08  647.750  233.249  3598.95  1834.97  658.504   66.598   30.311   64.485   13.025 2.112289 32.99081 
1 1 1  -15   27   17 o  122.790   10.800  6443.02  1065.81 10086.22  3920.29  6152.25  1107.52  124.309   36.466  119.542   11.554 4.766518 38.25225 
1 1 1  -15   27   18 o   54.523   15.549  1394.16  722.028  953.871  4292.16  1406.98  732.466   66.367   31.191   54.732   15.679 11.63509 34.91003 
1 1 1  -15   27   19 o   50.936   20.908  1081.62  1384.66  2130.91  4722.16  982.916  1448.33   65.346   31.282   50.420   21.100 14.92601 37.73306 
1 1 1  -15   27   20 o   39.010   17.610   80.364  1184.87   0.0000   0.0000   80.364  1184.87  ?   ?    39.010   17.610 0.000000 17.60950 
1 1 1  -15   29    1 o  102.041   20.999  4496.78  1681.86   0.0000   0.0000  4496.78  1681.86  ?   ?   102.041   20.999 0.000000 20.99946 
1 1 1  -15   29    2 o  440.681   25.569 82536.04  9109.78   0.0000   0.0000 82536.04  9109.78  ?   ?   440.681   25.569 0.000000 25.56915 
1 1 1  -15   29    3 o  400.297   24.201 67976.65  7828.89   0.0000   0.0000 67976.65  7828.89  ?   ?   400.297   24.201 0.000000 24.20060 
1 1 1  -15   29    4 o  252.431   16.260 26499.29  3315.11 24470.63  6334.67 27264.43  3890.37  233.239   34.489  255.005   18.924 -21.76605 39.33981 
1 1 1  -15   29    5 o  121.908   16.356  6272.99  1578.15  7588.35  3386.96  5908.22  1783.60  128.674   32.429  117.362   19.394 11.31286 37.78606 
1 1 1  -15   29    6 f   58.193   20.016  1321.54  1144.16  2553.26  2755.79  1064.99  1257.68   82.708   30.744   56.009   20.779 26.69882 37.10794 
1 1 1  -15   29    7 o   92.214   19.876  3726.62  1444.38  4425.38  3322.59  3563.81  1603.85   99.729   34.116   89.621   22.164 10.10844 40.68336 
1 1 1  -15   29    8 o   46.273   18.692  450.643  1085.80 -947.5432  2564.46  756.048  1198.54   57.194   25.854   51.347   19.986 5.847672 32.67850 
1 1 1  -15   29    9 o  133.815   17.577  7697.77  1863.59  8622.59  3647.77  7371.14  2167.85  133.026   33.725  129.232   21.409 3.793732 39.94664 
1 1 1  -15   29   10 o  108.806   18.973  5204.87  1615.28  5274.71  3600.48  5187.27  1807.38  103.837   35.514  107.558   21.447 -3.721191 41.48773 
1 1 1  -15   29   11 o   78.327   20.870  2783.96  1351.22  3636.21  3364.39  2620.05  1475.45   89.840   33.856   75.934   22.398 13.90606 40.59482 
1 1 1  -15   29   12 o   19.971   8.8775 -101.8385  288.743 -3235.8521  3078.90 -74.0306  290.021   52.455   25.150   20.474   9.0080 31.98168 26.71461 
1 1 1  -15   29   13 o   83.899   9.7376  2959.93  651.016  4518.02  3582.51  2906.72  662.039   93.280   34.979   83.049   10.020 10.23100 36.38570 
1 1 1  -15   29   14 o  119.552   9.8778  6001.48  950.272  4892.71  4128.56  6063.50  976.490   93.263   36.856  120.079   10.109 -26.81562 38.21716 
1 1 1  -15   29   15 o   34.149   12.988  378.509  497.965  3583.97  3754.59  321.115  502.404   82.452   34.193   33.199   12.935 49.25316 36.55799 
1 1 1  -15   29   16 o   85.205   11.530  3155.68  777.210 -559.6324  4691.43  3260.52  788.100   66.348   31.601   86.651   11.484 -20.30263 33.62292 
1 1 1  -15   29   17 o   49.156   15.310  1118.42  676.630 -3158.0820  4052.31  1241.07  686.264   54.164   26.610   51.520   15.296 2.644146 30.69242 
1 1 1  -15   29   18 o   62.603   22.726  2208.24  1491.41  1573.07  4542.27  2284.99  1578.94   62.940   30.274   63.206   23.316 -0.2659950 38.21153 
1 1 1  -15   29   19 o   91.066   24.381  5287.08  1838.60   0.0000   0.0000  5287.08  1838.60  ?   ?    91.066   24.381 0.000000 24.38075 
1 1 1  -15   31    1 o  330.051   22.458 46795.59  5982.76   0.0000   0.0000 46795.59  5982.76  ?   ?   330.051   22.458 0.000000 22.45808 
1 1 1  -15   31    2 o  307.247   21.912 40521.86  5430.54   0.0000   0.0000 40521.86  5430.54  ?   ?   307.247   21.912 0.000000 21.91154 
1 1 1  -15   31    3 o  335.664   23.075 48728.68  6250.77   0.0000   0.0000 48728.68  6250.77  ?   ?   335.664   23.075 0.000000 23.07474 
1 1 1  -15   31    4 o  167.894   18.001 12013.67  2415.73  9905.57  5513.99 12514.41  2687.37  138.324   43.796  170.582   19.769 -32.25766 48.05056 
1 1 1  -15   31    5 o   95.607   21.888  4082.43  1662.54  843.491  3899.71  4801.87  1837.93   78.680   33.834  103.634   22.488 -24.95411 40.62592 
1 1 1  -15   31    6 o  285.707   18.405 34841.34  4247.01 40258.39  8128.02 32806.94  4981.06  289.494   35.310  273.858   22.602 15.63559 41.92479 
1 1 1  -15   31    7 o   98.690   21.140  4361.88  1642.99  4866.89  4013.59  4260.21  1800.79  101.718   37.226   96.748   23.219 4.969559 43.87405 
1 1 1  -15   31    8 o  321.099   19.777 44761.13  5131.33 54745.16  9579.71 40743.96  6076.58  331.639   36.161  300.414   25.143 31.22488 44.04321 
1 1 1  -15   31    9 o  150.221   18.997  9902.15  2265.35 12628.25  4981.67  9191.47  2543.55  152.244   39.838  142.430   22.760 9.813889 45.88157 
1 1 1  -15   31   10 o  126.122   20.530  7160.02  2030.11  7836.92  4723.59  7006.67  2248.35  116.939   40.644  123.037   23.360 -6.097610 46.87844 
1 1 1  -15   31   11 o   55.531   21.276  1096.09  1342.56  1997.03  4071.25  986.168  1422.11   80.210   34.532   55.134   21.681 25.07631 40.77382 
1 1 1  -15   31   12 o  105.914   9.4670  4699.77  805.569  3467.84  4770.90  4735.93  817.305   87.496   37.519  106.286   9.5731 -18.79039 38.72062 
1 1 1  -15   31   13 o   47.740   11.510  1000.63  440.952 -2985.6060  4491.64  1039.42  443.092   62.319   30.007   48.681   11.409 13.63824 32.10301 
1 1 1  -15   31   14 o   56.678   12.030  1420.67  536.486  5071.71  4697.48  1372.42  540.019   88.293   37.527   55.607   12.288 32.68583 39.48771 
1 1 1  -15   31   15 o   14.952   7.4454 -887.9979  358.468 -10103.6602  4665.48 -833.2703  359.531   48.111   24.337   15.318   7.5989 32.79293 25.49605 
1 1 1  -15   31   16 o   54.766   22.084  1314.50  1512.75  6337.27  5284.43  866.158  1578.82   80.757   36.745   51.255   21.770 29.50195 42.70979 
1 1 1  -15   31   17 o   65.231   24.001  2586.36  1671.49  1675.90  5811.87  2668.46  1745.22   62.907   31.088   65.746   24.461 -2.839237 39.55739 
1 1 1  -15   31   18 o   48.753   21.330  1066.78  1605.96   0.0000   0.0000  1066.78  1605.96  ?   ?    48.753   21.330 0.000000 21.32959 
1 1 1  -15   33    1 o  190.502   21.934 15962.82  3330.87   0.0000   0.0000 15962.82  3330.87  ?   ?   190.502   21.934 0.000000 21.93423 
1 1 1  -15   33    2 o  118.672   24.883  6446.60  2321.10   0.0000   0.0000  6446.60  2321.10  ?   ?   118.672   24.883 0.000000 24.88336 
1 1 1  -15   33    3 o  195.086   21.087 16696.10  3287.14   0.0000   0.0000 16696.10  3287.14  ?   ?   195.086   21.087 0.000000 21.08719 
1 1 1  -15   33    4 o   88.828   26.522  3671.99  2059.00   0.0000   0.0000  3671.99  2059.00  ?   ?    88.828   26.522 0.000000 26.52212 
1 1 1  -15   33    5 o  193.253   19.683 16331.61  3045.39 16987.31  6769.58 16165.24  3409.92  169.489   47.360  190.224   22.514 -20.73492 52.43856 
1 1 1  -15   33    6 o  164.550   20.406 11992.94  2667.89 12750.01  6469.71 11837.83  2928.47  143.255   47.602  161.766   22.938 -18.51083 52.84057 
1 1 1  -15   33    7 o  118.051   22.426  6387.98  2071.03 12778.27  5206.74  5186.93  2257.28  149.629   41.437  103.836   26.642 45.79306 49.26276 
1 1 1  -15   33    8 o  172.057   20.160 13236.05  2763.04 16177.09  6490.06 12584.99  3053.59  158.795   47.014  165.187   23.423 -6.391983 52.52512 
1 1 1  -15   33    9 o  156.813   20.517 11146.29  2549.72 10317.42  6439.82 11300.38  2776.62  121.609   46.597  156.304   22.529 -34.69497 51.75745 
1 1 1  -15   33   10 o  190.691   21.046 16699.81  3204.35 25994.22  7233.77 14430.79  3574.15  200.894   45.413  171.664   26.495 29.23036 52.57725 
1 1 1  -15   33   11 o  159.674   21.475 11969.44  2713.64 17558.44  6857.46 10931.73  2954.84  147.972   49.000  148.736   25.378 -0.7644196 55.18197 
1 1 1  -15   33   12 o   72.274   24.654  2617.06  1735.12  3186.79  5894.69  2563.02  1815.56   82.728   38.077   71.660   25.181 11.06745 45.65040 
1 1 1  -15   33   13 o   49.559   21.296  489.397  1543.05 -8431.4238  5948.91  1132.89  1597.74   57.607   28.926   55.463   22.577 2.143822 36.69342 
1 1 1  -15   33   14 o   69.792   25.415  2710.89  1867.40  2785.16  6654.40  2704.54  1945.58   73.690   35.735   69.584   25.839 4.106735 44.09848 
1 1 1  -15   33   15 o   56.738   23.284  1562.56  1716.77  1283.88  6918.18  1580.85  1772.20   66.061   32.865   57.053   23.562 9.008507 40.43812 
1 1 1  -15   33   16 o   55.024   23.270  1627.65  1791.43   0.0000   0.0000  1627.65  1791.43  ?   ?    55.024   23.270 0.000000 23.26995 
1 1 1  -15   35    1 o  174.614   24.791 14094.31  3416.13   0.0000   0.0000 14094.31  3416.13  ?   ?   174.614   24.791 0.000000 24.79060 
1 1 1  -15   35    2 o   89.703   28.491  3897.43  2332.18   0.0000   0.0000  3897.43  2332.18  ?   ?    89.703   28.491 0.000000 28.49113 
1 1 1  -15   35    3 o  187.738   24.468 16308.90  3641.21   0.0000   0.0000 16308.90  3641.21  ?   ?   187.738   24.468 0.000000 24.46826 
1 1 1  -15   35    4 o  223.710   24.646 23248.84  4402.54   0.0000   0.0000 23248.84  4402.54  ?   ?   223.710   24.646 0.000000 24.64596 
1 1 1  -15   35    5 o   49.253   21.951 -277.9733  1777.47   0.0000   0.0000 -277.9733  1777.47  ?   ?    49.253   21.951 0.000000 21.95107 
1 1 1  -15   35    6 o  136.645   24.795  8916.23  2649.70 22325.68  7057.11  6715.60  2858.87  185.580   46.832  113.758   30.378 71.82155 55.82225 
1 1 1  -15   35    7 o   48.935   21.604 -66.9669  1681.76  1609.18  5839.68 -218.5534  1756.16   83.552   38.250   48.893   21.803 34.65845 44.02747 
1 1 1  -15   35    8 o   43.844   20.129 -730.8237  1633.06 -3792.1321  5845.91 -471.7088  1700.77   68.755   33.377   46.295   20.979 22.45961 39.42261 
1 1 1  -15   35    9 o   82.129   27.572  3529.65  2169.77 -1402.3190  7073.08  4041.99  2279.69   76.593   37.070   87.029   28.225 -10.43635 46.59235 
1 1 1  -15   35   10 o   36.752   17.614 -1641.2990  1506.69 -415.3521  6762.52 -1705.3330  1545.53   75.119   36.330   37.067   17.785 38.05149 40.44988 
1 1 1  -15   35   11 o   81.439   25.912  3637.09  1928.35  3809.59  7713.72  3625.59  1991.58   81.026   39.093   80.950   26.388 0.7633209E-01 47.16548 
1 1 1  -15   35   12 o  101.859   9.9829  4463.49  815.037  4554.77  8148.63  4462.57  819.144   77.396   37.964  101.817   10.039 -24.42075 39.26932 
1 1 1  -15   35   13 o   61.545   23.407  2053.64  1617.51 -6462.0171  8238.82  2395.03  1649.61   60.865   30.950   65.076   23.858 -4.210770 39.07857 
1 1 1  -15   35   14 o   49.269   22.265  591.520  1900.39 -2853.5129  8677.37  765.080  1947.67   59.872   30.564   50.544   22.718 9.327888 38.08294 
1 1 1  -15   35   15 o   43.569   20.457 -58.2414  1839.04   0.0000   0.0000 -58.2414  1839.04  ?   ?    43.569   20.457 0.000000 20.45730 
1 1 1  -15   37    1 o  126.385   30.611  8413.33  3107.99   0.0000   0.0000  8413.33  3107.99  ?   ?   126.385   30.611 0.000000 30.61069 
1 1 1  -15   37    2 o   92.921   31.578  4651.77  2846.47   0.0000   0.0000  4651.77  2846.47  ?   ?    92.921   31.578 0.000000 31.57811 
1 1 1  -15   37    3 o   78.692   30.346  2983.13  2743.10   0.0000   0.0000  2983.13  2743.10  ?   ?    78.692   30.346 0.000000 30.34590 
1 1 1  -15   37    4 o  171.716   37.422 17345.14  5070.33   0.0000   0.0000 17345.14  5070.33  ?   ?   171.716   37.422 0.000000 37.42241 
1 1 1  -15   37    5 o  231.632   38.157 32067.40  6926.45   0.0000   0.0000 32067.40  6926.45  ?   ?   231.632   38.157 0.000000 38.15659 
1 1 1  -15   37    6 f  136.700   32.234 10589.36  3519.64 16176.69  9805.77  9763.06  3770.93  113.921   51.107  126.426   35.354 -12.50471 62.14386 
1 1 1  -15   37    7 o   76.225   28.976  3088.44  2477.79 10814.50  8578.22  2385.16  2588.11   99.941   45.975   70.976   28.793 28.96515 54.24737 
1 1 1  -15   37    8 o   94.256   30.751  5388.31  2704.52  938.516  9179.90  5811.24  2830.14   78.585   38.879   97.143   31.442 -18.55836 50.00169 
1 1 1  -15   37    9 o  171.551   28.211 16536.84  3792.96 19904.40 11029.57 16085.17  4039.31   98.908   47.470  163.614   31.549 -64.70621 56.99726 
1 1 1  -15   37   10 o   66.798   27.098  2493.86  2292.31   23.488  9605.97  2643.04  2360.51   70.720   35.671   67.937   27.520 2.782639 45.05251 
1 1 1  -15   37   11 o   50.482   22.830  443.876  2002.14 -2963.7881 10188.88  580.742  2041.95   64.856   33.110   51.517   23.199 13.33872 40.42819 
1 1 1  -15   37   12 o   42.158   19.943 -633.6057  1806.82 -16465.5801 10455.77 -146.2816  1834.41   54.925   28.328   44.713   20.809 10.21138 35.14972 
1 1 1  -15   39    1 o   67.403   30.872  878.899  3810.36   0.0000   0.0000  878.899  3810.36  ?   ?    67.403   30.872 0.000000 30.87188 
1 1 1  -15   39    2 o  105.131   40.155  8849.75  4772.67   0.0000   0.0000  8849.75  4772.67  ?   ?   105.131   40.155 0.000000 40.15464 
1 1 1  -15   39    3 o   57.762   26.597 -71.7574  2879.91   0.0000   0.0000 -71.7574  2879.91  ?   ?    57.762   26.597 0.000000 26.59672 
1 1 1  -15   39    4 o   36.676   18.338 -4849.6558  2272.55   0.0000   0.0000 -4849.6558  2272.55  ?   ?    36.676   18.338 0.000000 18.33766 
1 1 1  -15   39    5 o   61.866   27.454  1224.86  2750.22   0.0000   0.0000  1224.86  2750.22  ?   ?    61.866   27.454 0.000000 27.45360 
1 1 1  -15   39    6 o   66.266   28.059  2253.64  2609.81   0.0000   0.0000  2253.64  2609.81  ?   ?    66.266   28.059 0.000000 28.05897 
1 1 1  -15   39    7 o   97.199   34.044  7275.94  3317.18 -16664.7207 12846.54  8986.23  3433.63   63.669   32.769  109.627   34.544 -45.95835 47.61427 
1 1 1  -15   39    8 o   55.904   25.445  905.720  2536.59 -9496.9502 11741.33  1415.01  2597.94   62.884   32.319   58.664   26.313 4.220047 41.67606 
1 1 1  -15   39    9 o   66.462   27.712  3078.51  2485.23 -13953.7598 12647.33  3762.60  2534.64   59.168   30.542   71.102   28.616 -11.93367 41.85352 
1 1 1  -15   39   10 o   42.609   20.623 -1190.6300  2189.00 -22642.7402 12530.56 -515.3568  2223.18   53.692   27.828   45.261   21.611 8.431351 35.23413 
1 1 1  -15   41    1 o   64.805   30.349  2017.39  4002.09   0.0000   0.0000  2017.39  4002.09  ?   ?    64.805   30.349 0.000000 30.34859 
1 1 1  -15   41    2 o   67.716   31.304  3015.04  4047.69   0.0000   0.0000  3015.04  4047.69  ?   ?    67.716   31.304 0.000000 31.30447 
1 1 1  -15   41    3 o   74.112   33.348  5039.76  4210.11   0.0000   0.0000  5039.76  4210.11  ?   ?    74.112   33.348 0.000000 33.34829 
1 1 1  -15   41    4 o   65.156   30.352  2851.41  3917.82   0.0000   0.0000  2851.41  3917.82  ?   ?    65.156   30.352 0.000000 30.35232 
1 1 1  -15   41    5 o   34.875   17.628 -5595.1318  2420.09   0.0000   0.0000 -5595.1318  2420.09  ?   ?    34.875   17.628 0.000000 17.62831 
1 1 1  -15   41    6 o   42.430   20.993 -2660.8650  2677.90   0.0000   0.0000 -2660.8650  2677.90  ?   ?    42.430   20.993 0.000000 20.99305 
1 1 1  -14    0    3 o  389.679   19.291 62287.40  6069.72 63148.64  8606.93 61435.33  8561.00  390.343   27.468  384.858   27.727 0.000000 0.000000 
1 1 1  -14    0    4 o  266.260   13.810 29051.44  2967.29 27942.52  4210.72 30145.38  4182.19  259.646   20.256  270.105   19.295 0.000000 0.000000 
1 1 1  -14    0    5 o  524.075   25.644 112696.30 10852.89 109743.40 15355.81 115643.40 15340.81  514.047   37.239  528.219   36.157 0.000000 0.000000 
1 1 1  -14    0    6 o   56.592   6.7202  1354.56  297.323  1713.95  414.368  973.169  426.867   63.322   8.4873   43.684   13.709 -0.000000 0.000000 
1 1 1  -14    0    7 o  309.073   15.795 39118.75  3940.21 36751.32  5584.79 41465.14  5559.90  297.862   23.425  317.091   21.832 0.000000 0.000000 
1 1 1  -14    0    8 o  414.812   29.450 71090.71  9804.23   0.0000   0.0000 71090.71  9804.23  414.812   29.450  414.812   29.450 0.000000 0.000000 
1 1 1  -14    0    9 o  1004.16   48.347 415043.69 39211.13 427864.81 55471.14 402239.59 55434.71  1012.95   68.152  980.830   70.441 0.000000 0.000000 
1 1 1  -14    0   10 o  666.684   32.187 182351.20 17331.17 169777.30 24489.36 194967.50 24530.64  638.898   47.823  686.403   44.441 -0.000000 0.000000 
1 1 1  -14    0   11 o  380.686   18.935 59378.76  5819.81 65132.26  8254.64 53692.17  8206.49  397.373   25.834  359.586   28.520 0.000000 0.000000 
1 1 1  -14    0   12 o  746.008   52.715 234145.00 31564.83 234145.00 31564.83   0.0000   0.0000  746.008   52.715  746.008   52.715 0.000000 0.000000 
1 1 1  -14    0   13 o  202.897   11.650 16900.72  1904.80 15180.69  2735.00 18520.86  2654.41  190.548   18.049  211.615   15.645 0.000000 0.000000 
1 1 1  -14    0   14 o  526.471   25.994 114228.20 11050.12 113681.20 15662.81 114770.30 15591.89  521.027   37.468  523.711   37.094 0.000000 0.000000 
1 1 1  -14    0   15 o   20.111   12.337  131.569  387.608 -239.2605  676.069  313.147  473.081   21.276   14.219   24.975   14.424 0.000000 0.000000 
1 1 1  -14    0   16 o  649.442   32.025 175307.50 16793.75 176550.59 23803.59 174075.50 23696.67  643.850   46.074  639.166   46.215 0.000000 0.000000 
1 1 1  -14    0   17 o  197.223   11.767 16001.46  1868.94 16432.33  2706.41 15608.69  2584.00  198.469   17.086  193.430   16.741 0.000000 0.000000 
1 1 1  -14    0   18 o  331.100   17.453 45209.96  4662.27 43263.64  6681.33 47057.16  6508.96  320.713   26.053  335.506   24.182 0.000000 0.000000 
1 1 1  -14    0   19 o  193.663   12.398 15497.17  1931.19 17826.23  3005.37 13859.11  2520.41  205.936   18.306  181.314   17.494 0.000000 0.000000 
1 1 1  -14    0   20 o   40.651   16.391  941.180  527.732 -997.0897  1596.29  1179.02  559.174   29.963   20.533   46.998   16.255 0.000000 0.000000 
1 1 1  -14    0   21 o  176.806   12.014 12994.67  1706.43 14471.43  2745.07 12064.59  2178.50  183.771   18.851  168.568   16.264 0.000000 0.000000 
1 1 1  -14    0   22 o  211.660   13.098 18676.75  2231.29 16048.55  2913.98 22401.86  3469.19  193.075   19.011  228.993   18.957 -0.000000 0.000000 
1 1 1  -14    0   23 o  336.957   18.277 48271.54  4967.04 51610.04  7305.23 45401.15  6773.75  339.914   26.854  318.768   26.597 0.000000 0.000000 
1 1 1  -14    0   24 o   15.866   11.433 -1283.9969  737.010   87.777  1823.96 -1551.6760  805.715   37.507   24.481   16.030   11.607 0.000000 0.000000 
1 1 1  -14    0   25 o   30.552   17.983  501.566  758.293  501.566  758.293   0.0000   0.0000   30.552   17.983   30.552   17.983 -0.000000 0.000000 
1 1 1  -14    0   26 o   25.818   16.350  188.140  738.402   0.0000   0.0000  188.140  738.402   25.818   16.350   25.818   16.350 0.000000 0.000000 
1 1 1  -14    2    3 o  432.810   17.290 76415.94  6076.24 75713.81 10554.50 76764.02  7431.26  427.600   30.601  433.285   21.123 -5.684509 37.18357 
1 1 1  -14    2    4 o  434.404   15.116 76850.99  5331.67 78854.55  7537.08 74844.17  7543.17  439.379   21.126  427.430   21.807 11.94849 30.36239 
1 1 1  -14    2    5 o  300.823   10.515 36782.79  2568.36 37077.76  3624.12 36485.19  3640.36  301.852   14.787  299.044   15.040 2.808441 21.09165 
1 1 1  -14    2    6 o  775.070   26.210 245326.20 16494.99 254919.59 23318.21 235717.50 23336.69  787.926   36.448  756.349   38.122 31.57745 52.74222 
1 1 1  -14    2    7 o  748.991   25.303 228826.70 15388.38 221411.80 21755.59 236251.00 21769.33  734.901   36.459  759.358   35.307 -24.45660 50.75267 
1 1 1  -14    2    8 o  351.040   17.478 50130.56  4981.69 54167.22  7029.64 46058.04  7060.80  363.801   23.931  335.054   26.161 28.74619 35.45568 
1 1 1  -14    2    9 o  274.989   9.9242 30719.88  2215.90 29404.34  3127.58 32045.85  3139.95  268.556   14.395  280.777   13.773 -12.22028 19.92272 
1 1 1  -14    2   10 o  916.614   30.684 343640.31 22836.79 339952.31 32290.69 347330.81 32301.51  908.209   43.788  918.156   43.328 -9.946533 61.60099 
1 1 1  -14    2   11 o  582.155   19.672 138227.50  9298.88 132639.70 13144.68 143825.30 13156.52  568.115   28.587  592.552   27.345 -24.43707 39.55945 
1 1 1  -14    2   12 o  700.135   34.172 203291.91 19426.09 204849.70 27469.70 201733.50 27475.58  693.589   49.094  687.997   49.515 5.591309 69.72767 
1 1 1  -14    2   13 o  428.948   14.511 75072.98  5054.19 61857.90  7143.56 88318.84  7151.87  387.305   22.816  464.436   18.965 -77.13074 29.66918 
1 1 1  -14    2   14 o  671.266   23.080 185636.30 12579.63 189389.80 17786.23 181879.41 17794.33  673.199   32.539  658.459   33.392 14.73993 46.62379 
1 1 1  -14    2   15 o  175.910   7.5234 12586.39  1074.59 12591.18  1520.62 12581.61  1518.79  175.451   10.726  175.385   10.717 0.6585693E-01 15.16182 
1 1 1  -14    2   16 o  183.585   7.7457 13715.78  1154.62 13501.06  1629.16 13932.47  1636.63  181.580   11.103  184.487   10.975 -2.906586 15.61203 
1 1 1  -14    2   17 o   81.144   6.9548  2698.96  453.797  2889.02  636.724  2502.76  646.929   83.636   9.5471   77.608   10.539 6.028519 14.22021 
1 1 1  -14    2   18 o  370.163   13.309 56251.88  4000.23 56060.99  5651.85 56443.49  5662.53  366.957   19.034  368.223   19.004 -1.266266 26.89697 
1 1 1  -14    2   19 o  189.751   8.4362 14716.82  1299.79 13661.07  1855.61 15733.81  1821.23  181.634   12.661  195.299   11.536 -13.66541 17.12856 
1 1 1  -14    2   20 o  168.013   8.1803 11569.92  1115.97 10085.92  1555.91 13142.18  1601.51  155.445   12.431  178.019   11.136 -22.57385 16.68954 
1 1 1  -14    2   21 f  166.655   8.0873 11417.17  1094.35 10171.69  1545.11 12670.87  1550.19  155.588   12.332  174.327   11.008 -18.73874 16.53028 
1 1 1  -14    2   22 o   20.595   9.6809 -423.6082  413.725 -250.5067  558.208 -634.6046  616.287   26.875   12.113   24.955   11.757 1.919300 16.88039 
1 1 1  -14    2   23 o  193.419   9.3246 15616.24  1464.43 17329.56  2064.21 13880.12  2077.90  201.070   12.709  178.484   14.462 22.58557 19.25293 
1 1 1  -14    2   24 o  121.279   8.8641  6202.48  866.843  6560.36  1175.80  5776.36  1283.00  122.940   11.929  113.808   14.193 9.132721 18.53990 
1 1 1  -14    2   25 f  152.558   10.964 10164.52  1349.04 10369.92  1857.16  9935.08  1962.89  148.953   15.586  143.876   17.140 5.077744 23.16679 
1 1 1  -14    2   26 o  108.639   10.947  5318.12  952.523  5235.89  1244.65  5434.35  1479.81  103.221   15.315  101.078   18.720 2.142906 24.18647 
1 1 1  -14    4    2 o  324.493   16.322 43032.21  4286.85 39134.63  6066.64 46919.25  6058.42  308.106   24.451  337.951   22.202 -29.84558 33.02678 
1 1 1  -14    4    4 o  881.721   62.441 331409.19 44414.16 331409.19 44414.16   0.0000   0.0000  881.721   62.441  ?   ?  0.000000 62.44100 
1 1 1  -14    4    5 o  535.490   21.295 116916.10  9259.23 103135.30 16052.28 123787.40 11334.97  498.731   39.976  550.510   25.358 -51.77896 47.34032 
1 1 1  -14    4    6 o  1014.05   39.670 422704.59 32663.58 410258.50 56583.07 428925.00 40001.69  983.235   71.361  1018.42   48.374 -35.18414 86.21146 
1 1 1  -14    4    7 o  588.886   19.743 141176.09  9440.26 132339.20 13337.06 150048.70 13364.06  568.534   28.987  606.372   27.143 -37.83832 39.71178 
1 1 1  -14    4    8 o  982.609   46.527 397463.81 37121.56 366421.19 52459.88 428596.31 52535.83  933.130   69.743  1012.19   64.256 -79.06342 94.83039 
1 1 1  -14    4    9 o  515.006   17.577 107904.40  7350.09 108576.00 10381.61 107229.50 10407.62  516.077   24.775  512.848   24.993 3.228882 35.19182 
1 1 1  -14    4   10 o  612.477   20.628 152849.00 10258.75 157409.59 14495.31 148272.30 14520.86  620.486   28.771  602.069   29.704 18.41724 41.35309 
1 1 1  -14    4   11 o  281.319   10.332 32175.10  2360.02 35389.25  3327.30 28920.97  3347.93  294.868   13.897  266.025   15.567 28.84317 20.86799 
1 1 1  -14    4   12 o  492.631   24.203 99664.05  9681.22 103825.60 13691.17 95502.27 13691.46  498.975   33.995  477.878   35.540 21.09668 49.18071 
1 1 1  -14    4   13 o  574.047   19.676 135044.59  9171.34 136350.50 12956.09 133733.00 12984.42  574.155   27.791  568.489   28.130 5.666077 39.54259 
1 1 1  -14    4   14 o  133.565   6.5184  7251.39  706.923  6934.25  975.374  7602.32  1026.03  130.203   9.2869  136.357   9.3230 -6.154007 13.15918 
1 1 1  -14    4   15 o  162.554   7.1255 10746.14  940.484 10872.93  1307.33 10610.14  1353.99  163.081   9.9200  161.033   10.411 2.047348 14.38037 
1 1 1  -14    4   16 o  179.125   7.6583 13057.49  1113.84 13550.85  1553.34 12535.34  1598.04  181.980   10.558  174.900   11.313 7.079086 15.47450 
1 1 1  -14    4   17 o  140.605   7.0729  8066.39  804.916  8233.92  1119.98  7887.42  1157.60  141.742   9.7914  138.633   10.359 3.108261 14.25384 
1 1 1  -14    4   18 f  383.302   13.839 60403.41  4307.07 61060.99  6077.39 59739.86  6104.93  382.503   19.634  378.162   19.953 4.340302 27.99307 
1 1 1  -14    4   19 o   95.267   7.9507  3733.38  609.398  3770.76  801.305  3682.11  938.503   95.282   10.534   93.674   12.664 1.607910 16.47186 
1 1 1  -14    4   20 o  137.992   7.7578  7823.73  865.692  7549.24  1214.12  8107.59  1234.68  134.674   11.205  139.663   10.976 -4.989777 15.68505 
1 1 1  -14    4   21 o   67.705   8.3335  1913.64  448.452  2024.85  587.738  1758.67  693.787   69.053   10.839   63.481   13.850 5.572464 17.58701 
1 1 1  -14    4   22 o  260.392   10.464 28299.16  2212.44 26978.82  3115.60 29642.23  3142.30  249.888   15.431  262.599   14.798 -12.71164 21.37936 
1 1 1  -14    4   23 o   56.517   12.114  1406.38  539.188  1051.03  665.070  2087.85  921.015   48.830   15.173   67.351   16.876 -18.52055 22.69438 
1 1 1  -14    4   24 o   39.107   13.836  617.862  548.961  255.557  727.060  1098.30  837.243   36.165   15.026   49.731   17.121 -13.56547 22.77983 
1 1 1  -14    4   25 o   23.211   10.801 -369.4297  494.119 -508.1528  631.309 -150.0619  793.879   25.665   12.030   32.376   14.532 -6.710943 18.86515 
1 1 1  -14    4   26 o   35.172   13.606  481.712  552.833  2172.26  705.898 -2199.9761  889.062   67.247   13.398   22.373   11.227 44.87439 17.48027 
1 1 1  -14    6    1 o  367.060   18.516 55082.40  5500.88 54742.45  7815.36 55416.16  7743.96  364.582   26.584  366.914   26.165 -2.331421 37.30007 
1 1 1  -14    6    2 o  495.442   24.277 100375.90  9766.36 96450.65 13844.20 104264.60 13779.48  482.419   35.595  502.115   33.998 -19.69635 49.22256 
1 1 1  -14    6    3 o  346.262   17.249 48835.73  4849.70 48726.96  6879.71 48943.17  6837.50  344.409   24.767  345.211   24.554 -0.8026123 34.87496 
1 1 1  -14    6    4 o  548.816   26.570 123093.50 11840.31 121766.50 16764.93 124414.20 16724.60  542.634   38.296  548.664   37.772 -6.029785 53.78919 
1 1 1  -14    6    5 o  736.344   28.512 221588.09 17047.18 232872.41 29570.92 215971.30 20862.83  748.573   48.920  725.654   35.408 22.91864 60.38976 
1 1 1  -14    6    6 o  535.239   20.558 116662.50  8934.55 125691.00 15508.63 112177.40 10930.74  552.943   34.719  524.402   25.671 28.54089 43.17878 
1 1 1  -14    6    7 o  390.513   19.276 62063.96  6112.23 57331.53  8653.65 66775.34  8634.38  373.686   28.741  403.773   26.483 -30.08618 39.08171 
1 1 1  -14    6    8 o  389.053   15.253 61542.34  4818.46 51333.22  8289.93 66751.16  5921.43  353.441   29.146  405.064   18.004 -51.62289 34.25865 
1 1 1  -14    6    9 o  476.540   16.108 92368.47  6232.74 92072.80  8801.92 92665.83  8826.97  475.328   22.806  476.857   22.797 -1.528931 32.24637 
1 1 1  -14    6   10 o  402.156   13.756 65783.42  4491.91 64946.77  6340.46 66626.45  6364.65  399.207   19.561  404.350   19.386 -5.143005 27.53948 
1 1 1  -14    6   11 o  736.437   28.988 223038.50 17333.70 240859.41 30046.39 214148.91 21221.05  754.777   49.298  718.050   36.518 36.72705 61.35016 
1 1 1  -14    6   12 o  104.937   6.8221  4493.96  578.119  4515.57  698.098  4446.79  1031.38  105.064   8.2496  103.741   12.496 1.322395 14.97311 
1 1 1  -14    6   13 f  503.663   17.522 103790.60  7165.84 105756.80 10117.68 101811.60 10150.46  506.514   24.601  496.157   25.280 10.35620 35.27409 
1 1 1  -14    6   14 o  362.972   12.569 53738.86  3704.39 52896.82  5219.10 54593.74  5258.72  359.257   17.892  365.002   17.744 -5.745331 25.19837 
1 1 1  -14    6   15 o  141.815   6.6160  8177.57  761.829  7675.68  1043.81  8749.67  1114.43  136.962   9.4438  146.273   9.4335 -9.311844 13.34825 
1 1 1  -14    6   16 o  460.275   16.295 86984.46  6089.75 88281.90  8594.65 85676.36  8629.88  461.156   22.953  453.491   23.517 7.664795 32.86211 
1 1 1  -14    6   17 o  380.343   13.524 59293.26  4176.69 60896.40  5891.94 57673.93  5921.63  383.713   18.911  372.671   19.639 11.04221 27.26361 
1 1 1  -14    6   18 o   36.364   10.385  553.908  321.859  619.195  413.311  453.312  513.041   38.859   11.943   36.644   13.325 2.215492 17.89375 
1 1 1  -14    6   19 o   59.728   9.4264  1497.06  441.989  2050.63  534.132  294.709  787.184   70.077   9.6425   39.290   15.900 30.78722 18.59555 
1 1 1  -14    6   20 o  101.076   7.8935  4213.10  642.682  3654.04  832.252  5038.98  1011.53   93.323   11.207  109.699   11.529 -16.37652 16.07854 
1 1 1  -14    6   21 f   85.674   8.9113  3059.79  610.838  3687.91  794.242  2150.35  955.703   93.662   10.632   69.408   17.075 24.25431 20.11479 
1 1 1  -14    6   22 o   44.378   12.914  854.169  493.458  185.770  584.167  2519.17  921.991   32.989   13.565   75.161   15.618 -42.17198 20.68630 
1 1 1  -14    6   23 o   46.674   11.941  962.499  454.402  1076.08  547.381  710.725  814.985   49.138   13.365   44.181   16.660 4.956989 21.35869 
1 1 1  -14    6   24 o   42.484   12.544  804.071  462.583  635.781  548.392  1219.18  861.277   39.370   13.839   51.627   17.371 -12.25714 22.20976 
1 1 1  -14    6   25 o   39.321   12.993  688.287  482.219  525.367  559.661  1157.82  950.104   36.791   13.820   49.579   18.117 -12.78753 22.78616 
1 1 1  -14    6   26 o   47.198   12.997  1083.41  513.904  1083.21  598.991  1083.95  1000.33   46.597   14.387   46.548   18.220 0.4883957E-01 23.21529 
1 1 1  -14    8    1 o  240.882   10.896 23583.15  2131.08 22976.12  3682.41 23888.84  2613.12  236.698   19.329  242.004   13.350 -5.305420 23.49101 
1 1 1  -14    8    2 o  654.078   31.733 175266.70 16853.30 171981.09 23872.42 178531.30 23796.09  643.185   46.015  655.717   44.966 -12.53223 64.33747 
1 1 1  -14    8    3 o  443.704   21.687 80242.41  7813.20 83169.46 11093.60 77361.41 11005.98  449.844   30.553  433.615   31.474 16.22906 43.86482 
1 1 1  -14    8    4 o  273.952   14.352 30600.65  3181.26 28387.04  4530.64 32753.45  4467.97  263.102   21.393  282.949   19.568 -19.84723 28.99238 
1 1 1  -14    8    5 o  1093.30   77.056 507824.59 67966.91 507824.59 67966.91   0.0000   0.0000  1093.30   77.056  ?   ?  0.000000 77.05648 
1 1 1  -14    8    6 o  1347.06   96.449 784801.12 104794.80 784801.12 104794.80   0.0000   0.0000  1347.06   96.449  ?   ?  0.000000 96.44922 
1 1 1  -14    8    7 o  1015.61   39.801 422966.59 32821.52 427967.59 56912.21 420474.41 40175.53  1009.02   69.896  1010.04   48.988 -1.015320 85.35329 
1 1 1  -14    8    8 o  362.675   15.585 53488.66  4589.59 39529.93  8013.59 60302.30  5598.79  309.281   32.391  384.980   17.911 -75.69873 37.01332 
1 1 1  -14    8    9 o  187.084   8.5881 14218.51  1304.59 17554.21  2328.93 12693.18  1574.87  207.303   13.917  176.382   11.052 30.92020 17.77158 
1 1 1  -14    8   10 o  638.112   21.567 166288.00 11174.26 167376.59 15794.87 165197.30 15810.73  638.332   30.474  634.105   30.708 4.226379 43.26263 
1 1 1  -14    8   11 o  189.561   8.9068 14609.97  1370.92 15609.99  2427.81 14141.83  1661.09  195.050   15.456  186.101   11.042 8.949005 18.99526 
1 1 1  -14    8   12 o   78.145   5.9371  2495.57  373.898  2673.93  500.785  2270.92  562.045   80.731   7.7343   74.101   9.5646 6.630127 12.30048 
1 1 1  -14    8   13 o  538.796   18.603 118955.50  8138.42 117808.20 11498.12 120107.40 11520.85  533.648   26.536  538.909   26.329 -5.260376 37.38125 
1 1 1  -14    8   14 o  613.404   20.992 154887.59 10455.33 154682.59 14772.78 155093.20 14799.39  608.713   29.889  609.512   29.904 -0.7991943 42.27974 
1 1 1  -14    8   15 o  274.941   10.238 30810.72  2285.63 29163.86  3213.29 32497.28  3251.78  266.498   14.909  281.489   14.274 -14.99091 20.64072 
1 1 1  -14    8   16 o  117.295   6.6469  5614.66  630.444  4453.23  844.820  7074.29  947.082  104.004   10.133  131.466   8.9251 -27.46187 13.50296 
1 1 1  -14    8   17 o  236.866   9.5731 22896.73  1841.17 23434.32  2584.15 22342.48  2623.92  238.675   13.388  232.902   13.939 5.772583 19.32745 
1 1 1  -14    8   18 o  369.058   13.099 56063.43  3925.28 55364.37  5534.71 56770.88  5567.80  363.677   18.807  368.355   18.677 -4.677887 26.50545 
1 1 1  -14    8   19 o  266.000   9.7760 29063.48  2111.46 26996.76  2956.44 31215.14  3016.58  254.282   14.378  274.207   13.549 -19.92558 19.75588 
1 1 1  -14    8   20 o   70.715   7.8468  2075.75  442.954  1585.45  549.081  2989.48  749.584   60.862   11.533   84.218   11.242 -23.35578 16.10601 
1 1 1  -14    8   21 o   78.790   8.8277  2593.78  555.046  2312.45  679.521  3157.76  962.129   73.521   11.781   85.245   14.414 -11.72414 18.61604 
1 1 1  -14    8   22 o  152.953   8.3176  9710.96  1029.10  8865.72  1385.83 10750.06  1536.56  144.461   11.921  159.122   11.981 -14.66040 16.90113 
1 1 1  -14    8   23 o  108.045   8.8913  4907.72  773.102  5469.96  971.733  3938.11  1276.10  113.264   10.693   92.185   17.692 21.07895 20.67199 
1 1 1  -14    8   24 o  102.540   9.3643  4486.32  771.064  3330.68  964.655  6531.08  1283.16   85.444   14.418  121.119   13.264 -35.67527 19.59113 
1 1 1  -14    8   25 o   31.725   12.014  365.154  424.992  168.176  469.344  1262.09  1001.53   29.080   12.077   50.759   18.593 -21.67988 22.17091 
1 1 1  -14    8   26 o   29.580   11.987  264.233  448.098  264.233  448.098   0.0000   0.0000   29.580   11.987  ?   ?  0.000000 11.98732 
1 1 1  -14   10    1 o  204.810   9.6983 17041.53  1612.82 22216.27  2797.35 14464.85  1973.93  233.270   14.846  188.194   12.997 45.07622 19.73172 
1 1 1  -14   10    2 o  649.551   31.655 172522.41 16695.35 163522.80 23649.39 181463.50 23572.38  628.104   46.705  662.559   44.068 -34.45514 64.21373 
1 1 1  -14   10    3 o  719.315   34.729 211816.70 20283.80 210897.30 28733.89 212729.91 28637.61  712.952   49.951  716.181   49.551 -3.228577 70.35947 
1 1 1  -14   10    4 o  1144.53   55.094 542532.31 51200.02 552134.38 72464.23 532960.00 72351.43  1140.58   78.728  1119.66   80.113 20.92078 112.3216 
1 1 1  -14   10    5 o  846.098   40.595 293662.31 27889.14 297242.59 39486.44 290098.31 39396.13  844.898   57.907  834.420   58.518 10.47778 82.32597 
1 1 1  -14   10    6 o  847.384   40.831 294563.09 28093.98 289207.81 39779.07 299892.59 39682.89  832.964   59.201  848.745   57.928 -15.78156 82.82755 
1 1 1  -14   10    7 o  786.693   38.031 253707.91 24293.29   0.0000   0.0000 253707.91 24293.29  ?   ?   786.693   38.031 0.000000 38.03144 
1 1 1  -14   10    8 o  809.531   30.667 268100.19 20158.08 311617.91 35008.45 246515.30 24655.60  865.956   50.002  773.383   39.393 92.57324 63.65588 
1 1 1  -14   10    9 o  414.947   16.913 70134.40  5698.50 71693.33  9964.98 69376.88  6946.38  417.096   29.617  411.828   20.841 5.267120 36.21453 
1 1 1  -14   10   10 o  317.207   13.098 40967.16  3373.53 45787.45  5933.50 38664.68  4100.83  333.774   22.017  307.473   16.486 26.30066 27.50550 
1 1 1  -14   10   11 o  769.429   37.057 247573.70 23151.53 268045.19 32816.82 227289.80 32666.12  788.562   51.537  721.993   56.164 66.56958 76.22618 
1 1 1  -14   10   12 f  312.343   11.042 39728.47  2800.48 38159.51  3952.80 41309.68  3968.20  305.189   16.007  318.043   15.366 -12.85416 22.18901 
1 1 1  -14   10   13 o  430.763   15.250 75843.23  5333.90 74536.93  7538.76 77152.66  7547.81  424.975   21.922  433.039   21.466 -8.063690 30.68180 
1 1 1  -14   10   14 o  416.446   14.446 70912.97  4884.83 66711.44  6901.34 75131.23  6915.07  401.733   21.233  427.283   19.932 -25.54971 29.12202 
1 1 1  -14   10   15 o   57.306   7.6830  1360.21  348.493  2191.19  435.024 -128.3344  582.233   73.007   7.4426   29.410   12.856 43.59647 14.85468 
1 1 1  -14   10   16 o   99.991   6.5660  4085.19  530.133  4589.95  697.287  3393.77  816.099  105.841   8.1771   90.445   11.364 15.39586 13.99980 
1 1 1  -14   10   17 o  168.657   7.1364 11586.11  977.290  9142.87  1343.56 14331.25  1424.15  149.059   11.182  187.355   9.3616 -38.29601 14.58381 
1 1 1  -14   10   18 o  103.067   7.1610  4354.45  595.568  4294.17  782.403  4437.50  918.359  101.965   9.5619  103.364   11.117 -1.399544 14.66346 
1 1 1  -14   10   19 o  224.851   8.9164 20754.09  1627.87 21247.23  2299.59 20258.73  2304.73  225.950   12.584  220.465   12.931 5.484650 18.04395 
1 1 1  -14   10   20 o  221.077   9.5096 20175.56  1707.04 20231.28  2371.61 20115.66  2458.98  219.248   13.386  218.292   13.946 0.9560394 19.33089 
1 1 1  -14   10   21 f  143.005   8.6379  8479.56  998.288 10324.38  1357.81  6309.12  1472.77  156.995   10.716  120.485   15.407 36.51002 18.76728 
1 1 1  -14   10   22 o   56.506   10.843  1383.57  479.387  1149.06  540.411  2249.57  1038.49   50.940   13.017   69.711   18.164 -18.77045 22.34672 
1 1 1  -14   10   23 o   60.357   10.934  1590.84  516.121  1833.69  604.807  940.118  990.039   64.493   11.991   48.791   18.370 15.70171 21.93723 
1 1 1  -14   10   24 o  144.237   10.132  8953.83  1179.08  7625.52  1452.43 11521.11  2019.21  129.788   14.004  157.337   16.029 -27.54984 21.28530 
1 1 1  -14   10   25 o  103.713   9.9122  4729.09  824.558  4644.65  960.206  4966.23  1609.12  101.104   11.926   94.095   21.528 7.008369 24.61045 
1 1 1  -14   12    1 o  769.282   30.305 241622.50 18929.58 241991.30 32807.25 241438.50 23176.75  763.633   53.244  767.897   37.172 -4.264832 64.93600 
1 1 1  -14   12    2 o  1207.16   85.443 620875.50 83207.81 620875.50 83207.81   0.0000   0.0000  1207.16   85.443  ?   ?  0.000000 85.44304 
1 1 1  -14   12    3 o  373.636   18.959 56946.52  5732.93 58154.68  8156.20 55766.73  8059.82  376.707   26.841  368.816   27.104 7.891235 38.14503 
1 1 1  -14   12    4 o  568.985   27.704 132052.30 12799.19 131797.70 18159.11 132303.70 18043.01  565.679   39.789  566.836   39.448 -1.157043 56.02955 
1 1 1  -14   12    5 o  1146.53   56.421 544488.38 52525.16 491834.69 74349.44 596950.88 74214.33  1072.71   86.086  1187.96   77.361 -115.2496 115.7392 
1 1 1  -14   12    6 o  647.364   44.979 173350.59 23496.15   0.0000   0.0000 173350.59 23496.15  ?   ?   647.364   44.979 0.000000 44.97949 
1 1 1  -14   12    7 o  225.657   12.372 20762.18  2258.31 23279.35  3267.69 18460.65  3124.59  238.566   16.980  212.153   18.318 26.41316 24.97759 
1 1 1  -14   12    8 o  446.701   18.492 81335.01  6707.02 82027.59 11759.68 81001.12  8165.27  445.552   32.735  444.767   22.685 0.7851257 39.82709 
1 1 1  -14   12    9 o  493.896   18.966 99612.47  7605.95 120517.20 13310.10 89476.14  9268.29  539.954   30.484  466.551   24.552 73.40292 39.14159 
1 1 1  -14   12   10 o  151.409   7.9672  9345.20  976.036  8540.02  1850.74  9655.43  1148.78  143.755   16.134  153.802   9.2417 -10.04749 18.59357 
1 1 1  -14   12   11 o  194.738   9.2342 15427.79  1460.12 15384.39  2682.32 15446.07  1740.60  193.214   17.280  194.453   11.070 -1.239380 20.52172 
1 1 1  -14   12   12 o  638.844   25.885 168758.41 13426.89 157630.30 23387.08 174229.70 16398.78  602.506   48.209  646.439   31.242 -43.93359 57.44747 
1 1 1  -14   12   13 o  117.114   7.7010  5602.91  728.225  5165.02  1458.43  5748.35  840.502  111.099   16.683  118.521   8.7966 -7.421638 18.85980 
1 1 1  -14   12   14 o  241.794   11.043 23845.26  2168.15 21296.06  3906.20 24980.32  2606.53  226.083   21.539  246.920   13.047 -20.83662 25.18266 
1 1 1  -14   12   15 o  238.698   11.125 23260.48  2156.20 20189.38  3884.03 24628.58  2592.35  219.570   22.085  245.018   13.078 -25.44756 25.66684 
1 1 1  -14   12   16 o   36.902   9.4899  576.656  285.948  701.838  339.215  269.282  531.541   40.675   10.269   33.737   13.259 6.938053 16.77048 
1 1 1  -14   12   17 o  156.431   8.0512 10010.44  1019.17 10677.86  1417.68  9296.55  1466.20  161.080   10.903  149.999   12.143 11.08195 16.31948 
1 1 1  -14   12   18 o  191.826   8.2334 15056.02  1282.41 16842.05  1815.18 13276.20  1812.02  201.950   11.112  178.798   12.561 23.15222 16.77107 
1 1 1  -14   12   19 o  101.016   7.6497  4204.68  622.785  4970.57  787.586  2926.62  1017.39  109.605   8.9273   82.023   15.850 27.58194 18.19107 
1 1 1  -14   12   20 o   73.920   8.0428  2273.30  474.948  2208.09  559.747  2440.94  897.508   72.427   9.7672   74.533   15.342 -2.105347 18.18704 
1 1 1  -14   12   21 o   90.744   7.9911  3423.92  582.784  2722.78  715.748  4803.15  1003.87   79.839   11.362  106.251   11.837 -26.41267 16.40741 
1 1 1  -14   12   22 o   79.804   8.7219  2680.74  555.958  2390.27  645.536  3514.92  1093.95   74.525   10.998   88.354   15.830 -13.82877 19.27593 
1 1 1  -14   12   23 o   31.515   10.763  398.441  330.661  595.286  355.366 -871.3925  902.586   36.966   11.014   29.688   14.059 7.277756 17.85977 
1 1 1  -14   12   24 o   44.689   11.588  908.675  424.028  909.651  449.540  900.799  1276.86   44.595   12.105   48.817   20.062 -4.222603 23.43122 
1 1 1  -14   12   25 o   26.076   11.039   95.802  403.863  167.410  427.379 -501.7050  1234.53   27.802   11.533   35.741   16.775 -7.939161 20.35755 
1 1 1  -14   14    1 o  715.140   28.403 208655.80 16492.64 188346.30 28600.57 218773.91 20187.11  673.457   52.724  731.498   33.988 -58.04071 62.72944 
1 1 1  -14   14    2 o  411.581   17.219 68900.83  5754.27 72175.39  9964.36 67262.39  7048.33  419.486   29.441  405.887   21.463 13.59946 36.43396 
1 1 1  -14   14    3 o  668.802   33.330 182915.50 18099.68 149022.70 25658.06 216486.59 25536.01  598.059   53.399  724.471   43.614 -126.4119 68.94640 
1 1 1  -14   14    4 o  1064.83   51.401 468938.19 44441.34 474392.59 62920.75 463508.41 62778.59  1058.56   73.664  1045.86   74.412 12.69702 104.7065 
1 1 1  -14   14    5 o  667.130   46.584 184712.30 25075.61   0.0000   0.0000 184712.30 25075.61  ?   ?   667.130   46.584 0.000000 46.58409 
1 1 1  -14   14    6 o  119.881   9.5563  5877.00  922.472  4684.44  1408.32  6773.15  1220.82  105.955   16.940  128.531   11.831 -22.57630 20.66262 
1 1 1  -14   14    7 o  161.493   10.631 10649.70  1386.20 10060.21  2064.16 11133.94  1870.83  156.271   16.518  164.785   14.119 -8.514755 21.72981 
1 1 1  -14   14    8 o  721.602   28.458 214354.41 16673.80 241601.30 29073.64 201000.70 20353.67  755.448   47.642  694.936   36.196 60.51257 59.83224 
1 1 1  -14   14    9 o  482.803   19.181 95373.76  7519.51 105174.60 13215.42 90681.55  9144.03  502.368   32.574  469.137   24.086 33.23154 40.51162 
1 1 1  -14   14   10 o  489.668   25.430 99100.54 10075.95 89935.65 14427.89 107825.90 14077.64  460.942   38.913  507.176   34.388 -46.23386 51.93050 
1 1 1  -14   14   11 o  677.977   27.991 190557.50 15408.68 177310.30 26883.67 197038.50 18803.85  635.915   52.536  686.193   33.749 -50.27844 62.44230 
1 1 1  -14   14   12 o  258.170   11.236 27165.54  2355.37 29162.67  4293.57 26305.79  2817.10  265.636   20.054  253.442   13.741 12.19423 24.31014 
1 1 1  -14   14   13 o  293.578   12.767 35196.92  3043.44 33361.06  5491.66 36010.70  3656.26  282.729   24.154  296.199   15.254 -13.47067 28.56736 
1 1 1  -14   14   14 o  202.935   10.011 16790.67  1649.57 15111.27  3107.21 17449.74  1946.52  190.213   20.439  206.400   11.662 -16.18752 23.53222 
1 1 1  -14   14   15 o  392.834   15.850 63453.54  5055.76 72625.18  9008.26 59236.22  6108.52  414.588   26.905  377.652   19.992 36.93668 33.51982 
1 1 1  -14   14   16 o  179.638   9.5223 13216.86  1383.97 12699.69  2667.87 13407.27  1618.82  173.745   19.234  180.651   11.090 -6.905655 22.20169 
1 1 1  -14   14   17 o  251.065   11.737 25935.95  2392.66 30561.80  4570.66 24189.80  2808.17  267.814   21.192  241.254   14.401 26.56050 25.62196 
1 1 1  -14   14   18 o  217.075   11.116 19508.36  1952.69 23726.36  3893.01 18090.40  2257.18  234.108   20.693  208.089   13.431 26.01891 24.66965 
1 1 1  -14   14   19 o   70.783   13.244  2160.75  733.219  2794.94  2193.21  2080.95  777.982   79.300   27.687   69.140   14.329 10.15984 31.17517 
1 1 1  -14   14   20 o   91.475   12.148  3567.36  880.001  7885.84  2123.64  2672.09  966.926  132.014   20.475   77.665   15.869 54.34896 25.90462 
1 1 1  -14   14   21 o   55.214   17.811  1348.21  908.751  4296.33  2077.94  650.997  1010.51   92.051   26.419   46.190   18.240 45.86009 32.10395 
1 1 1  -14   14   22 o  118.583   13.303  6150.88  1258.76  7930.75  3262.48  5839.58  1364.41  114.667   33.160  114.395   15.055 0.2724838 36.41738 
1 1 1  -14   14   23 o   94.722   8.7105  3810.00  662.427  4246.10  778.716  2668.12  1260.07   99.492   9.7653   72.292   20.515 27.19952 22.72047 
1 1 1  -14   14   24 o   52.807   10.945  1263.47  453.891  1088.32  483.342  2570.72  1320.48   48.386   12.281   67.570   21.436 -19.18409 24.70505 
1 1 1  -14   14   25 o   59.509   10.497  1626.67  488.660  1631.20  521.771  1594.35  1393.97   59.076   11.289   51.870   21.098 7.205910 23.92854 
1 1 1  -14   16    1 o  630.469   25.288 162230.00 12945.37 152450.41 22484.92 167079.00 15832.69  605.828   46.054  639.054   30.513 -33.22632 55.24483 
1 1 1  -14   16    2 o  619.199   24.953 156505.00 12545.64 169428.00 21761.90 150072.09 15353.86  639.738   42.130  604.596   31.384 35.14172 52.53492 
1 1 1  -14   16    3 o  682.182   48.074 194048.70 26458.04   0.0000   0.0000 194048.70 26458.04  ?   ?   682.182   48.074 0.000000 48.07354 
1 1 1  -14   16    4 o  351.712   25.961 50867.59  7361.40   0.0000   0.0000 50867.59  7361.40  ?   ?   351.712   25.961 0.000000 25.96066 
1 1 1  -14   16    5 o  125.209   10.153  6415.26  1023.36  4982.91  1555.70  7507.86  1358.72  109.099   18.203  135.274   12.512 -26.17501 22.08858 
1 1 1  -14   16    6 o  221.672   13.218 20076.36  2368.31 17173.89  3453.80 22652.29  3253.73  203.863   21.174  235.034   17.168 -31.17136 27.25966 
1 1 1  -14   16    7 o  426.543   21.564 74716.35  7444.34 76123.19 10645.22 73369.89 10414.35  428.033   30.836  420.213   30.736 7.819702 43.53808 
1 1 1  -14   16    8 o  291.183   15.676 34707.26  3692.58 35410.77  5347.01 34065.85  5105.54  292.835   22.664  287.319   22.053 5.516022 31.62292 
1 1 1  -14   16    9 o  478.932   25.612 94861.15  9923.74 83342.76 14286.38 105600.90 13795.07  442.895   40.164  501.938   34.050 -59.04352 52.65445 
1 1 1  -14   16   10 o  397.946   15.802 64727.78  5105.78 66725.93  9109.05 63812.40  6165.34  400.176   28.215  394.479   19.248 5.696869 34.15499 
1 1 1  -14   16   11 o  376.898   15.629 58105.26  4782.88 55780.04  8546.15 59165.68  5771.35  364.869   29.088  379.705   18.719 -14.83585 34.59117 
1 1 1  -14   16   12 o  228.849   11.318 21358.77  2103.06 15825.85  3902.06 23623.96  2496.71  193.688   25.426  240.185   12.849 -46.49652 28.48785 
1 1 1  -14   16   13 f  491.753   19.466 99710.80  7772.68 107720.80 13749.03 95948.45  9422.94  502.342   33.907  479.778   24.267 22.56424 41.69598 
1 1 1  -14   16   14 o  144.465   8.8362  8536.61  1031.51  6920.37  2099.07  9051.17  1184.38  127.633   20.984  148.638   9.8696 -21.00463 23.18925 
1 1 1  -14   16   15 o  188.924   9.6754 14611.84  1479.23 15810.71  2977.22 14218.88  1704.51  194.286   19.120  186.070   11.336 8.216476 22.22806 
1 1 1  -14   16   16 o  238.052   11.794 23285.81  2279.60 18547.10  4286.61 25154.41  2691.79  206.319   26.177  246.613   13.494 -40.29376 29.45021 
1 1 1  -14   16   17 f   28.781   12.876 -252.4267  617.932  2556.87  1931.74 -572.6553  652.200   77.433   26.015   26.701   12.420 50.73259 28.82819 
1 1 1  -14   16   18 o  121.385   9.9693  6118.81  973.906  7245.98  2605.46  5935.73  1050.02  124.703   26.546  119.264   10.966 5.438965 28.72191 
1 1 1  -14   16   19 o   43.627   14.558  773.224  604.890  209.463  1913.11  835.844  637.599   54.581   23.584   45.138   14.941 9.442928 27.91872 
1 1 1  -14   16   20 o   55.178   17.718  1332.62  900.033  585.597  2603.16  1434.04  959.188   62.750   27.312   57.036   18.288 5.713940 32.86942 
1 1 1  -14   16   21 o   64.571   17.495  1930.55  940.042  4447.07  2954.12  1647.02  991.586   88.769   32.021   59.821   18.517 28.94872 36.98958 
1 1 1  -14   16   22 o   97.056   15.346  4285.33  1169.18  4155.51  3512.82  4301.50  1239.87   81.280   33.325   96.531   16.406 -15.25077 37.14454 
1 1 1  -14   16   23 o   52.471   20.756  1216.35  1310.64   0.0000   0.0000  1216.35  1310.64  ?   ?    52.471   20.756 0.000000 20.75620 
1 1 1  -14   16   24 o   32.247   15.502 -1071.5890  1186.95   0.0000   0.0000 -1071.5890  1186.95  ?   ?    32.247   15.502 0.000000 15.50154 
1 1 1  -14   18    1 o  606.549   30.009 151311.59 14779.42   0.0000   0.0000 151311.59 14779.42  ?   ?   606.549   30.009 0.000000 30.00912 
1 1 1  -14   18    2 o  468.672   19.264 89676.86  7330.69 88148.64 12748.82 90431.73  8960.11  460.662   34.330  470.002   23.479 -9.340515 41.59116 
1 1 1  -14   18    3 o  196.608   12.775 15800.94  2028.35 14087.65  2963.29 17311.32  2782.29  184.602   20.094  205.341   16.835 -20.73930 26.21476 
1 1 1  -14   18    4 o  1057.00   53.167 477708.50 45484.53 478154.09 64432.98 477265.81 64217.25  1028.67   77.716  1027.99   77.505 0.6818848 109.7583 
1 1 1  -14   18    5 o  506.207   25.761 105667.20 10553.56 102402.40 15060.54 108817.10 14793.03  493.911   37.842  510.029   35.951 -16.11795 52.19646 
1 1 1  -14   18    6 o  419.415   21.434 72306.20  7275.00 74471.84 10421.75 70247.93 10160.07  423.023   30.547  410.744   30.686 12.27905 43.29813 
1 1 1  -14   18    7 o  232.339   13.523 22082.42  2540.12 23665.17  3739.81 20726.93  3460.93  239.627   19.387  224.191   19.198 15.43579 27.28381 
1 1 1  -14   18    8 o  319.334   25.276 42320.25  6500.26 42320.25  6500.26   0.0000   0.0000  319.334   25.276  ?   ?  0.000000 25.27616 
1 1 1  -14   18    9 o  557.744   28.178 129418.20 12719.50 128436.40 18150.31 130365.60 17830.15  548.282   41.068  553.127   39.969 -4.845398 57.30756 
1 1 1  -14   18   10 o  234.804   10.455 22460.33  1993.19 22534.68  3780.11 22431.70  2345.79  233.269   20.156  234.169   12.381 -0.9004669 23.65475 
1 1 1  -14   18   11 o  127.268   51.373  4240.07  8194.90  3429.00 11786.05  4999.16 11402.17  141.153   59.690  144.408   59.712 -3.254837 84.43037 
1 1 1  -14   18   12 o  174.895   9.5786 12502.31  1355.08 10631.13  2757.54 13098.03  1555.91  158.837   21.969  178.871   10.763 -20.03455 24.46415 
1 1 1  -14   18   13 o  211.595   10.688 18322.81  1830.31 14932.99  3607.03 19498.31  2124.09  187.735   24.228  218.065   12.043 -30.33023 27.05622 
1 1 1  -14   18   14 o   39.829   11.606  661.394  398.288 -774.3058  1102.32  876.969  427.145   36.083   16.555   45.428   11.553 -9.345699 20.18807 
1 1 1  -14   18   15 o  273.924   12.166 30835.12  2705.94 32263.85  5104.83 30276.80  3191.15  275.086   23.068  270.346   14.592 4.739227 27.29524 
1 1 1  -14   18   16 o   93.686   10.064  3645.36  753.546  4071.98  2131.34  3584.42  805.575   94.777   26.606   92.709   10.910 2.067902 28.75607 
1 1 1  -14   18   17 o  187.326   10.360 14524.92  1569.70 16933.07  3322.46 13832.94  1781.01  196.645   21.140  182.157   12.111 14.48796 24.36355 
1 1 1  -14   18   18 o  105.998   10.997  4714.94  932.695  4869.04  2713.50  4694.30  993.211   99.287   30.616  105.510   11.795 -6.222763 32.80919 
1 1 1  -14   18   19 o   99.201   12.153  4192.71  958.432  842.099  2964.11  4583.93  1012.84   67.573   29.277  103.742   12.261 -36.16882 31.74062 
1 1 1  -14   18   20 o   55.257   18.078  1350.88  934.399 -541.7537  2488.61  1661.48  1008.16   54.895   25.070   60.353   18.670 -5.458553 31.25784 
1 1 1  -14   18   21 o   34.193   15.498 -345.9676  928.664  871.278  3205.13 -457.5216  970.285   64.917   29.164   34.131   15.613 30.78617 33.08032 
1 1 1  -14   18   22 o   69.395   18.392  2376.46  1053.04 -576.7106  3818.65  2619.52  1095.52   59.358   28.337   72.856   18.488 -13.49774 33.83519 
1 1 1  -14   18   23 o   61.919   23.952  2258.25  1712.98   0.0000   0.0000  2258.25  1712.98  ?   ?    61.919   23.952 0.000000 23.95151 
1 1 1  -14   18   24 o   42.911   19.866  221.476  1639.04   0.0000   0.0000  221.476  1639.04  ?   ?    42.911   19.866 0.000000 19.86649 
1 1 1  -14   20    1 o  254.609   15.286 26537.81  3145.47   0.0000   0.0000 26537.81  3145.47  ?   ?   254.609   15.286 0.000000 15.28580 
1 1 1  -14   20    2 o  263.567   12.857 28299.92  2751.49 25170.83  4845.32 29789.22  3342.75  246.276   24.558  269.789   15.323 -23.51311 28.94614 
1 1 1  -14   20    3 o  425.895   17.851 74145.11  6172.99 68626.33 10745.77 76863.32  7541.51  405.190   32.947  432.977   21.451 -27.78766 39.31513 
1 1 1  -14   20    4 o  127.920   11.430  6715.42  1174.69  7750.48  1838.65  6001.56  1526.95  136.708   16.926  120.193   16.047 16.51529 23.32362 
1 1 1  -14   20    5 o  338.493   17.879 46996.58  4896.61 53607.65  7093.75 40979.66  6767.48  360.052   24.409  313.962   26.804 46.08990 36.25220 
1 1 1  -14   20    6 o  398.833   21.054 65478.75  6793.94 64612.11  9790.00 66283.84  9435.95  393.079   30.923  398.730   29.352 -5.650635 42.63528 
1 1 1  -14   20    7 o  387.336   30.048 62760.00  9376.09 62760.00  9376.09   0.0000   0.0000  387.336   30.048  ?   ?  0.000000 30.04750 
1 1 1  -14   20    8 o  410.491   21.387 69529.75  7103.63 70459.73 10238.48 68666.54  9864.08  409.648   31.011  404.702   30.236 4.945404 43.31202 
1 1 1  -14   20    9 o  400.700   21.316 66351.37  6910.21 63663.57  9976.68 68829.87  9580.39  388.269   31.929  405.008   29.331 -16.73859 43.35630 
1 1 1  -14   20   10 o  262.340   11.753 28085.27  2503.45 27760.12  4784.88 28207.83  2937.60  257.959   23.089  262.293   13.842 -4.334503 26.92025 
1 1 1  -14   20   11 o  398.922   16.642 65368.23  5390.42 63593.60  9796.08 66138.93  6455.67  386.603   31.480  400.280   19.863 -13.67697 37.22264 
1 1 1  -14   20   12 f  143.979   8.2572  8471.86  961.290 12984.50  2229.20  7441.02  1065.44  177.100   15.664  134.710   9.8081 42.38968 18.48107 
1 1 1  -14   20   13 o  217.022   11.291 19321.92  1982.69 14670.75  3989.02 20847.98  2284.92  184.125   27.527  225.183   12.547 -41.05754 30.25112 
1 1 1  -14   20   14 o  202.474   9.9148 16779.52  1630.01 19364.33  3423.14 16021.58  1853.65  214.063   19.923  197.218   11.627 16.84499 23.06783 
1 1 1  -14   20   15 o  309.934   14.184 39898.93  3569.53 42508.29  6924.85 38954.72  4165.59  309.155   27.887  304.374   16.922 4.780914 32.61927 
1 1 1  -14   20   16 o   90.295   10.262  3403.31  738.984  3089.47  2457.73  3434.51  774.839   83.976   29.310   90.596   10.743 -6.619843 31.21654 
1 1 1  -14   20   17 o  180.993   10.635 13623.56  1556.10 15967.98  3737.04 13131.80  1711.53  186.381   25.352  177.125   11.971 9.255905 28.03585 
1 1 1  -14   20   18 o   28.366   12.518 -135.8527  564.032  3589.50  2425.20 -348.8780  579.935   85.840   29.148   26.506   12.104 59.33437 31.56113 
1 1 1  -14   20   19 o  162.551   11.860 11210.13  1554.57 11204.62  3863.29 11211.19  1698.12  142.486   33.887  161.845   13.032 -19.35947 36.30656 
1 1 1  -14   20   20 o   59.559   17.679  1644.33  916.827  1905.70  3101.20  1619.30  959.726   70.554   30.251   59.122   18.204 11.43133 35.30595 
1 1 1  -14   20   21 o   82.622   15.986  3174.18  1033.64  1087.50  3615.19  3359.95  1078.67   65.384   29.993   84.898   16.240 -19.51385 34.10683 
1 1 1  -14   20   22 o   62.818   22.693  2175.64  1484.52   0.0000   0.0000  2175.64  1484.52  ?   ?    62.818   22.693 0.000000 22.69312 
1 1 1  -14   20   23 o   43.348   19.259  461.090  1357.40   0.0000   0.0000  461.090  1357.40  ?   ?    43.348   19.259 0.000000 19.25925 
1 1 1  -14   22    1 o  156.428   13.187 10046.57  1659.38   0.0000   0.0000 10046.57  1659.38  ?   ?   156.428   13.187 0.000000 13.18747 
1 1 1  -14   22    2 o  305.048   17.645 38195.99  4351.78   0.0000   0.0000 38195.99  4351.78  ?   ?   305.048   17.645 0.000000 17.64490 
1 1 1  -14   22    3 o  132.984   13.394  7284.93  1426.53   0.0000   0.0000  7284.93  1426.53  ?   ?   132.984   13.394 0.000000 13.39351 
1 1 1  -14   22    4 o  445.095   18.757 81191.27  6778.78 80136.55 11803.36 81710.35  8280.55  436.543   33.557  444.897   23.001 -8.354431 40.68289 
1 1 1  -14   22    5 o  151.987   20.429  9653.37  2457.28  9653.37  2457.28   0.0000   0.0000  151.987   20.429  ?   ?  0.000000 20.42911 
1 1 1  -14   22    6 o  136.859   12.547  7704.00  1378.76  9027.53  2234.81  6890.67  1751.91  147.099   19.166  128.589   17.211 18.50980 25.75948 
1 1 1  -14   22    7 o   63.526   14.400  1714.83  725.610  1127.85  1153.72  2098.96  933.305   56.360   20.046   70.192   16.631 -13.83197 26.04623 
1 1 1  -14   22    8 o  124.949   12.729  6440.46  1273.36  4549.82  2068.84  7593.53  1615.66  102.701   25.036  135.413   14.943 -32.71133 29.15669 
1 1 1  -14   22    9 o  522.016   27.574 114297.70 11646.04 108265.70 16742.23 119952.80 16210.60  497.826   41.806  527.244   38.123 -29.41806 56.57819 
1 1 1  -14   22   10 o  560.878   24.083 131063.10 10967.97 118209.50 19539.02 136976.59 13252.95  512.591   47.485  569.675   28.744 -57.08423 55.50705 
1 1 1  -14   22   11 o  135.152   8.9287  7479.16  974.299  5628.93  2253.69  7904.44  1080.48  113.777   25.071  138.863   9.6426 -25.08558 26.86157 
1 1 1  -14   22   12 o  201.657   10.925 16687.68  1782.22  9608.64  3766.62 18729.73  2023.01  146.260   32.555  213.507   11.714 -67.24657 34.59793 
1 1 1  -14   22   13 o   80.315   9.1169  2671.30  584.010  2374.44  1802.52  2706.12  617.309   75.687   25.125   80.758   9.6023 -5.070724 26.89736 
1 1 1  -14   22   14 o  187.245   10.960 14483.62  1659.03 10555.63  3548.61 15582.31  1876.76  151.423   29.923  193.920   11.978 -42.49689 32.23138 
1 1 1  -14   22   15 o  108.700   9.4211  4895.94  823.293  8711.65  2909.05  4563.71  858.387  137.345   27.048  104.729   10.225 32.61605 28.91619 
1 1 1  -14   22   16 o  157.590   10.389 10324.86  1321.90 10333.59  3711.99 10323.59  1414.65  144.105   32.499  157.303   11.148 -13.19705 34.35774 
1 1 1  -14   22   17 o  169.811   10.542 12042.46  1446.40 21466.34  4047.14 10662.53  1548.68  216.154   23.435  159.050   12.082 57.10428 26.36590 
1 1 1  -14   22   18 o   51.975   16.898  1169.41  816.877  2243.79  2668.32  1058.31  858.075   73.594   29.452   50.397   17.334 23.19784 34.17438 
1 1 1  -14   22   19 o   66.310   15.865  2007.85  842.758  3610.07  3623.19  1916.21  866.525   82.291   33.804   64.557   16.476 17.73393 37.60562 
1 1 1  -14   22   20 o   29.006   13.625 -700.0175  817.349 -5068.3521  3747.71 -481.8629  837.509   49.839   24.690   31.060   14.317 18.77945 28.54057 
1 1 1  -14   22   21 o   42.986   19.772 -329.5421  1585.71   0.0000   0.0000 -329.5421  1585.71  ?   ?    42.986   19.772 0.000000 19.77173 
1 1 1  -14   22   22 o   38.305   17.845 -396.3413  1354.73   0.0000   0.0000 -396.3413  1354.73  ?   ?    38.305   17.845 0.000000 17.84535 
1 1 1  -14   24    1 o  287.784   25.905 34559.81  5988.33   0.0000   0.0000 34559.81  5988.33  ?   ?   287.784   25.905 0.000000 25.90475 
1 1 1  -14   24    2 o   84.987   20.033  3086.01  1359.83  3850.85  1890.19  2265.50  1957.78   94.759   24.415   76.806   26.188 17.95366 35.80397 
1 1 1  -14   24    3 o  403.703   22.972 67477.40  7499.03 62201.63 10602.06 72759.50 10608.41  382.910   34.470  415.698   31.667 -32.78806 46.80789 
1 1 1  -14   24    4 o  599.834   47.013 157496.80 22714.21   0.0000   0.0000 157496.80 22714.21  ?   ?   599.834   47.013 0.000000 47.01315 
1 1 1  -14   24    5 o  361.640   32.319 55422.34  9390.14   0.0000   0.0000 55422.34  9390.14  ?   ?   361.640   32.319 0.000000 32.31895 
1 1 1  -14   24    7 o  144.885   17.215  8741.26  1985.52   0.0000   0.0000  8741.26  1985.52  ?   ?   144.885   17.215 0.000000 17.21455 
1 1 1  -14   24    8 o  113.300   17.857  5408.38  1588.41   0.0000   0.0000  5408.38  1588.41  ?   ?   113.300   17.857 0.000000 17.85744 
1 1 1  -14   24    9 o  244.641   21.177 25023.37  4165.17   0.0000   0.0000 25023.37  4165.17  ?   ?   244.641   21.177 0.000000 21.17732 
1 1 1  -14   24   10 o  212.287   19.555 18866.31  3332.72   0.0000   0.0000 18866.31  3332.72  ?   ?   212.287   19.555 0.000000 19.55452 
1 1 1  -14   24   11 o  142.291   7.9619  8285.25  916.195 17401.39  2769.92  7165.37  970.841  204.167   16.860  132.124   9.1052 72.04338 19.16116 
1 1 1  -14   24   12 o  101.577   9.1867  4257.90  749.494 -755.3696  2520.91  4744.01  784.991   58.145   26.011  107.279   9.0975 -49.13363 27.55625 
1 1 1  -14   24   13 o   73.045   9.3485  2224.71  541.739  3923.57  1965.90  2085.10  563.560   92.954   25.348   70.514   10.134 22.44058 27.29862 
1 1 1  -14   24   14 o   74.806   9.9817  2345.80  591.159  3882.16  2105.61  2214.34  615.931   91.472   26.694   72.448   10.801 19.02350 28.79609 
1 1 1  -14   24   15 o  167.330   10.806 11661.87  1460.34  8055.01  3845.84 12269.55  1578.57  123.858   36.056  171.407   11.407 -47.54851 37.81758 
1 1 1  -14   24   16 o   60.823   12.659  1609.32  604.843  1150.04  2750.00  1632.67  620.026   68.254   28.846   61.213   12.882 7.040882 31.59211 
1 1 1  -14   24   17 o   76.832   13.050  2567.78  784.999  2219.65  3094.86  2591.72  811.539   75.382   31.135   77.041   13.463 -1.658882 33.92100 
1 1 1  -14   24   18 o   80.931   14.431  2913.49  913.524  2962.30  4044.28  2910.86  937.761   79.870   34.401   80.691   14.861 -0.8205566 37.47383 
1 1 1  -14   24   19 o   81.821   14.922  3042.57  954.836 -82.2951  3794.96  3253.76  986.575   63.254   29.600   84.694   14.890 -21.43979 33.13405 
1 1 1  -14   24   20 f   30.704   14.104 -388.1233  803.139 -1453.5850  4698.42 -356.0537  815.136   59.830   29.238   31.213   14.290 28.61716 32.54308 
1 1 1  -14   24   21 o   53.550   23.155  1297.72  1846.69   0.0000   0.0000  1297.72  1846.69  ?   ?    53.550   23.155 0.000000 23.15494 
1 1 1  -14   24   22 o   47.570   21.032  1044.98  1599.52   0.0000   0.0000  1044.98  1599.52  ?   ?    47.570   21.032 0.000000 21.03158 
1 1 1  -14   26    1 o  313.027   19.128 40470.05  4838.35   0.0000   0.0000 40470.05  4838.35  ?   ?   313.027   19.128 0.000000 19.12784 
1 1 1  -14   26    2 o  209.699   16.280 18138.48  2750.19   0.0000   0.0000 18138.48  2750.19  ?   ?   209.699   16.280 0.000000 16.27970 
1 1 1  -14   26    3 o  315.650   15.715 40844.75  4027.60 38150.14  7333.88 42008.37  4819.40  299.685   30.567  318.954   18.691 -19.26953 35.82859 
1 1 1  -14   26    4 o  366.990   17.795 55393.98  5302.52 51914.93  9430.42 57002.41  6412.15  348.075   33.793  370.634   21.398 -22.55945 39.99803 
1 1 1  -14   26    5 o  125.688   14.186  6550.20  1422.41  7063.71  2871.68  6383.25  1637.38  127.291   28.494  123.546   16.755 3.745598 33.05528 
1 1 1  -14   26    6 o  445.519   24.273 83079.26  8747.52 86721.93 12849.76 79933.17 11941.80  447.592   35.653  430.507   34.451 17.08511 49.57811 
1 1 1  -14   26    7 o  311.242   29.795 41516.16  7437.72 41516.16  7437.72   0.0000   0.0000  311.242   29.795  ?   ?  0.000000 29.79497 
1 1 1  -14   26    8 o   83.597   28.744  2782.27  2359.53  2782.27  2359.53   0.0000   0.0000   83.597   28.744  ?   ?  0.000000 28.74421 
1 1 1  -14   26    9 o   55.374   24.146 -240.7930  2042.88 -240.7930  2042.88   0.0000   0.0000   55.374   24.146  ?   ?  0.000000 24.14595 
1 1 1  -14   26   10 o  242.383   28.541 25949.51  5509.46 25949.51  5509.46   0.0000   0.0000  242.383   28.541  ?   ?  0.000000 28.54121 
1 1 1  -14   26   11 o   81.842   27.279  2882.78  2124.10  2882.78  2124.10   0.0000   0.0000   81.842   27.279  ?   ?  0.000000 27.27939 
1 1 1  -14   26   12 o  178.706   14.539 13431.76  2091.39   0.0000   0.0000 13431.76  2091.39  ?   ?   178.706   14.539 0.000000 14.53913 
1 1 1  -14   26   13 o  107.282   11.580  4828.49  992.748   0.0000   0.0000  4828.49  992.748  ?   ?   107.282   11.580 0.000000 11.58021 
1 1 1  -14   26   14 o   58.642   13.375  1499.47  622.724   0.0000   0.0000  1499.47  622.724  ?   ?    58.642   13.375 0.000000 13.37450 
1 1 1  -14   26   15 o  136.346   13.541  7937.81  1479.25   0.0000   0.0000  7937.81  1479.25  ?   ?   136.346   13.541 0.000000 13.54076 
1 1 1  -14   26   16 o   73.428   14.632  2389.54  841.720   0.0000   0.0000  2389.54  841.720  ?   ?    73.428   14.632 0.000000 14.63162 
1 1 1  -14   26   17 o  179.663   16.984 14486.30  2448.21   0.0000   0.0000 14486.30  2448.21  ?   ?   179.663   16.984 0.000000 16.98367 
1 1 1  -14   26   18 o   57.158   17.796  1534.35  914.318   0.0000   0.0000  1534.35  914.318  ?   ?    57.158   17.796 0.000000 17.79591 
1 1 1  -14   26   19 f   36.831   15.929  132.195  874.288   0.0000   0.0000  132.195  874.288  ?   ?    36.831   15.929 0.000000 15.92880 
1 1 1  -14   28    1 o  248.340   18.111 25580.39  3626.85   0.0000   0.0000 25580.39  3626.85  ?   ?   248.340   18.111 0.000000 18.11125 
1 1 1  -14   28    2 o  144.481   17.860  8738.56  2050.65   0.0000   0.0000  8738.56  2050.65  ?   ?   144.481   17.860 0.000000 17.86036 
1 1 1  -14   28    3 o  518.482   22.945 112268.40  9659.66 122930.30 17301.96 107440.20 11643.20  525.725   40.853  502.610   28.649 23.11514 49.89695 
1 1 1  -14   28    4 o  339.655   17.414 47784.43  4786.55 51225.31  8733.06 46306.91  5722.69  344.112   31.609  332.722   21.294 11.38977 38.11271 
1 1 1  -14   28    5 o  125.746   16.327  6632.75  1627.64  3944.98  3416.75  7421.73  1851.18   98.711   34.552  132.800   17.601 -34.08905 38.77728 
1 1 1  -14   28    6 o  288.524   16.641 34590.50  3882.09 42273.75  7120.42 31340.66  4630.89  312.533   28.368  272.698   21.078 39.83499 35.34160 
1 1 1  -14   28    7 o  137.024   17.138  7924.92  1865.01  8190.74  3537.33  7822.58  2194.86  133.569   32.845  134.985   20.685 -1.415802 38.81574 
1 1 1  -14   28    8 o  218.176   17.982 20073.17  3157.14 13878.12  5220.18 23646.06  3964.35  169.920   38.701  235.393   20.961 -65.47346 44.01299 
1 1 1  -14   28    9 o  328.284   20.709 46121.01  5491.88 47982.87  8566.19 44821.69  7156.02  322.394   33.198  316.917   28.101 5.477112 43.49460 
1 1 1  -14   28   10 o  123.339   17.075  6528.60  1664.10 10089.34  3447.61  5447.03  1900.10  146.903   29.920  110.591   21.935 36.31249 37.09883 
1 1 1  -14   28   11 o  220.208   13.145 20291.46  2339.64 13363.78  5704.26 21692.61  2565.35  156.171   43.415  227.276   13.969 -71.10464 45.60741 
1 1 1  -14   28   12 o  124.612   9.1439  6433.58  918.735  9746.89  3515.79  6190.74  951.807  140.635   31.564  122.077   9.6818 18.55752 33.01517 
1 1 1  -14   28   13 o   64.277   10.538  1758.46  530.944  1884.96  2537.85  1752.68  542.959   72.194   28.780   64.095   10.818 8.099236 30.74588 
1 1 1  -14   28   14 o  120.082   9.9631  6036.90  962.648  5045.63  3815.34  6104.30  994.834   96.604   36.123  120.648   10.252 -24.04372 37.54932 
1 1 1  -14   28   15 o   63.389   12.330  1755.97  611.770  4555.77  3133.22  1645.00  623.776   91.078   32.958   61.107   12.973 29.97091 35.41944 
1 1 1  -14   28   16 o   92.671   10.637  3668.57  785.910  5020.00  4231.99  3620.30  799.823   89.532   36.628   91.927   10.930 -2.394852 38.22387 
1 1 1  -14   28   17 o   37.903   14.547  491.690  628.244  427.730  4209.90  493.147  635.359   66.255   31.059   38.030   14.621 28.22485 34.32842 
1 1 1  -14   28   18 o   40.205   15.316  615.736  693.165 -2580.8301  4680.37  687.421  700.894   57.306   28.240   41.420   15.483 15.88559 32.20574 
1 1 1  -14   28   19 o   72.544   24.353  3289.46  1692.73   0.0000   0.0000  3289.46  1692.73  ?   ?    72.544   24.353 0.000000 24.35298 
1 1 1  -14   28   20 o   34.372   16.191 -498.3912  1168.18   0.0000   0.0000 -498.3912  1168.18  ?   ?    34.372   16.191 0.000000 16.19090 
1 1 1  -14   30    1 o  107.679   20.770  5025.19  1750.15   0.0000   0.0000  5025.19  1750.15  ?   ?   107.679   20.770 0.000000 20.76988 
1 1 1  -14   30    2 o   81.740   22.187  2921.76  1510.28   0.0000   0.0000  2921.76  1510.28  ?   ?    81.740   22.187 0.000000 22.18709 
1 1 1  -14   30    3 o  256.822   19.555 27847.24  4047.10   0.0000   0.0000 27847.24  4047.10  ?   ?   256.822   19.555 0.000000 19.55459 
1 1 1  -14   30    4 o   96.600   20.668  4082.52  1572.07  678.956  3567.30  4902.83  1751.30   76.630   32.639  105.944   21.100 -29.31404 38.86568 
1 1 1  -14   30    5 o  269.168   17.166 30444.59  3732.07 32732.24  7251.49 29620.30  4352.81  266.414   34.320  263.603   20.498 2.810089 39.97556 
1 1 1  -14   30    6 o  215.710   16.327 19580.94  2838.56 21309.26  5512.67 18957.36  3311.28  214.536   32.679  210.620   19.587 3.916443 38.09909 
1 1 1  -14   30    7 o   96.442   20.141  4104.94  1526.30 12943.99  3682.43  2271.45  1677.14  168.671   27.861   73.033   24.235 95.63778 36.92626 
1 1 1  -14   30    8 o  101.177   20.961  4557.63  1665.34  1629.41  3729.69  5286.81  1861.18   80.910   33.860  108.802   21.827 -27.89231 40.28516 
1 1 1  -14   30    9 o  178.699   18.398 13790.75  2631.38 12322.29  4887.69 14390.08  3122.52  153.588   39.093  180.511   21.741 -26.92252 44.73227 
1 1 1  -14   30   10 o  264.664   19.717 30579.72  4206.67 34214.47  7309.62 28779.75  5143.87  261.288   35.362  250.849   25.614 10.43945 43.66417 
1 1 1  -14   30   11 o   39.890   17.643 -224.9752  1126.83  4256.34  3433.30 -765.9731  1192.91   93.304   34.387   37.131   17.105 56.17220 38.40657 
1 1 1  -14   30   12 o  107.997   10.018  4885.62  868.516 -2437.9741  4295.04  5197.85  886.837   65.015   30.753  111.459   9.9023 -46.44370 32.30794 
1 1 1  -14   30   13 o  177.705   10.728 13267.80  1540.75 16217.70  5389.73 13005.28  1607.85  163.755   40.710  175.589   11.338 -11.83366 42.25932 
1 1 1  -14   30   14 o  101.350   10.110  4345.45  820.867  8737.72  3806.89  4131.27  840.643  119.809   36.129   98.572   10.674 21.23688 37.67297 
1 1 1  -14   30   15 f   71.988   12.135  2273.19  684.065  4220.34  4384.94  2224.62  692.544   83.786   35.949   71.062   12.457 12.72367 38.04637 
1 1 1  -14   30   16 o   97.562   22.988  4958.52  1791.16 11522.30  5033.74  4006.97  1916.60  113.436   41.663   84.797   25.650 28.63848 48.92587 
1 1 1  -14   30   17 o  111.093   23.406  6744.58  2044.70  8882.02  6019.31  6465.77  2173.97   84.252   38.667  105.724   25.598 -21.47192 46.37241 
1 1 1  -14   30   18 o   54.067   22.286  1512.12  1581.36   0.0000   0.0000  1512.12  1581.36  ?   ?    54.067   22.286 0.000000 22.28565 
1 1 1  -14   32    1 o   81.549   24.869  2957.39  1796.34   0.0000   0.0000  2957.39  1796.34  ?   ?    81.549   24.869 0.000000 24.86897 
1 1 1  -14   32    2 o  243.466   20.442 25523.63  4003.77   0.0000   0.0000 25523.63  4003.77  ?   ?   243.466   20.442 0.000000 20.44240 
1 1 1  -14   32    3 o  102.355   24.335  4756.15  1992.80   0.0000   0.0000  4756.15  1992.80  ?   ?   102.355   24.335 0.000000 24.33490 
1 1 1  -14   32    4 o   61.953   23.152  1372.24  1566.91   0.0000   0.0000  1372.24  1566.91  ?   ?    61.953   23.152 0.000000 23.15232 
1 1 1  -14   32    5 o  130.156   19.260  7388.86  1974.02  4827.27  4774.54  7917.02  2167.99  103.281   39.977  134.195   20.551 -30.91399 44.95025 
1 1 1  -14   32    6 o   88.390   21.811  3539.79  1555.83  3686.24  4071.69  3514.75  1683.58   93.641   36.729   87.688   23.263 5.952248 43.47644 
1 1 1  -14   32    7 o   80.630   23.324  2973.98  1613.91 -2020.1140  4489.81  3715.03  1729.52   69.946   32.553   89.762   23.466 -19.81551 40.12938 
1 1 1  -14   32    8 o  224.358   19.048 21985.56  3437.20 22816.29  7120.65 21733.19  3924.72  199.460   45.033  220.303   22.245 -20.84270 50.22787 
1 1 1  -14   32    9 o  198.974   20.686 17669.34  3293.23 19168.64  6582.95 17168.86  3803.37  178.820   45.290  192.343   24.940 -13.52321 51.70261 
1 1 1  -14   32   10 o  180.498   20.876 14726.76  3003.09 12651.68  6344.86 15325.83  3409.13  136.155   47.117  181.635   23.679 -45.47958 52.73260 
1 1 1  -14   32   11 o  124.687   22.281  7288.43  2172.94  6052.16  5496.50  7517.43  2365.65  100.298   41.464  125.262   24.134 -24.96391 47.97670 
1 1 1  -14   32   12 o   60.341   11.307  1581.05  533.613  5954.41  4982.66  1530.30  536.700   96.882   39.702   59.261   11.569 37.62110 41.35318 
1 1 1  -14   32   13 f  176.022   22.102 14906.38  3089.27  8470.10  6561.69 16739.29  3501.62  100.210   43.488  184.174   23.985 -83.96403 49.66386 
1 1 1  -14   32   14 o  163.591   22.185 13259.60  2870.79 18390.89  7106.12 12258.80  3138.29  130.384   49.188  151.866   26.409 -21.48218 55.82934 
1 1 1  -14   32   15 o   88.913   10.893  3450.94  769.981 -293.0806  6050.45  3512.57  776.293   66.760   32.740   89.721   10.878 -22.96105 34.50024 
1 1 1  -14   32   16 o   45.692   19.599  588.908  1302.77  3599.65  6090.59  444.553  1333.64   68.431   33.408   44.783   19.519 23.64789 38.69241 
1 1 1  -14   32   17 o   54.117   21.807  1627.16  1473.95   0.0000   0.0000  1627.16  1473.95  ?   ?    54.117   21.807 0.000000 21.80742 
1 1 1  -14   34    1 o   54.427   23.078  355.611  1769.30   0.0000   0.0000  355.611  1769.30  ?   ?    54.427   23.078 0.000000 23.07767 
1 1 1  -14   34    2 o  139.683   24.367  8930.77  2663.12   0.0000   0.0000  8930.77  2663.12  ?   ?   139.683   24.367 0.000000 24.36670 
1 1 1  -14   34    3 o   63.146   25.031  1254.17  1909.74   0.0000   0.0000  1254.17  1909.74  ?   ?    63.146   25.031 0.000000 25.03086 
1 1 1  -14   34    4 o   50.690   21.998   42.994  1678.99   0.0000   0.0000   42.994  1678.99  ?   ?    50.690   21.998 0.000000 21.99825 
1 1 1  -14   34    5 o   79.613   26.230  2930.23  1965.96 -6188.7129  6021.69  4018.17  2079.93   69.271   33.685   91.636   26.470 -22.36435 42.84058 
1 1 1  -14   34    6 o   41.495   19.104 -874.2367  1485.10 -2610.4951  4672.23 -679.1013  1566.33   67.955   32.122   43.959   20.003 23.99556 37.84150 
1 1 1  -14   34    7 o  109.412   25.006  5735.97  2173.03  7359.96  5858.52  5476.89  2339.95  109.769   43.737  105.478   27.159 4.291153 51.48324 
1 1 1  -14   34    8 o   85.900   25.687  3611.31  1930.32  3556.21  5557.97  3618.87  2058.46   90.830   39.711   85.664   26.707 5.166412 47.85621 
1 1 1  -14   34    9 o  133.838   23.963  8594.24  2508.52  9216.91  6913.60  8499.83  2691.98  110.698   46.194  131.150   26.196 -20.45250 53.10433 
1 1 1  -14   34   10 o  170.155   23.161 13880.51  3116.84 12949.49  7771.33 14058.98  3402.49  117.821   49.054  168.446   25.690 -50.62511 55.37429 
1 1 1  -14   34   11 o   65.811   24.800  1996.19  1805.20  2033.95  6382.73  1992.91  1882.05   80.483   37.891   66.052   25.219 14.43101 45.51632 
1 1 1  -14   34   12 o  108.245   10.303  5009.30  894.654  3681.88  7056.45  5030.99  901.933   81.300   38.732  108.446   10.369 -27.14585 40.09558 
1 1 1  -14   34   13 f   54.122   11.363  1306.95  483.457  6574.10  7025.62  1281.89  484.606   82.247   39.028   53.542   11.491 28.70472 40.68483 
1 1 1  -14   34   14 o   42.919   19.913 -438.5138  1659.60 -1471.2590  7280.04 -381.9016  1704.48   64.079   32.151   43.708   20.244 20.37108 37.99355 
1 1 1  -14   34   15 o   81.543   27.785  4728.41  2203.75 -2517.5911  8499.24  5250.67  2281.78   59.742   30.476   85.695   28.260 -25.95345 41.56219 
1 1 1  -14   36    1 f  128.418   28.310  8158.46  2872.44   0.0000   0.0000  8158.46  2872.44  ?   ?   128.418   28.310 0.000000 28.30987 
1 1 1  -14   36    2 o  134.765   29.210  9090.00  3104.02   0.0000   0.0000  9090.00  3104.02  ?   ?   134.765   29.210 0.000000 29.20955 
1 1 1  -14   36    3 o  156.246   28.038 12013.23  3426.36   0.0000   0.0000 12013.23  3426.36  ?   ?   156.246   28.038 0.000000 28.03779 
1 1 1  -14   36    4 o   98.871   30.325  5101.87  2666.29   0.0000   0.0000  5101.87  2666.29  ?   ?    98.871   30.325 0.000000 30.32507 
1 1 1  -14   36    5 o   85.866   31.010  3771.26  2771.71   0.0000   0.0000  3771.26  2771.71  ?   ?    85.866   31.010 0.000000 31.00983 
1 1 1  -14   36    6 o  114.085   30.485  6968.72  2877.83  6508.02  7841.75  7040.43  3093.69   99.440   45.057  112.968   32.175 -13.52798 55.36566 
1 1 1  -14   36    7 o  115.366   29.968  7183.76  2832.42  5004.08  7811.97  7513.67  3039.22   92.994   43.166  116.508   31.411 -23.51442 53.38484 
1 1 1  -14   36    8 o   64.548   25.592  1741.40  1996.66 -11716.1504  7189.97  2865.94  2078.41   61.799   31.131   75.117   26.885 -13.31837 41.13359 
1 1 1  -14   36    9 o  226.462   24.937 26009.11  4509.38 35257.00 10850.21 24078.25  4957.83  157.714   60.472  209.079   30.069 -51.36447 67.53505 
1 1 1  -14   36   10 o   40.554   19.297 -1423.4640  1740.53  7887.37  8099.19 -1874.2820  1782.17   88.035   41.812   39.242   18.897 48.79240 45.88449 
1 1 1  -14   36   11 o   65.035   24.813  2230.98  1821.10 -2501.4661  8809.73  2442.23  1861.31   69.042   34.739   67.072   25.201 1.970222 42.91740 
1 1 1  -14   36   12 o   91.798   29.752  5734.24  2533.46 -1685.9410  9660.08  6282.31  2625.36   66.466   33.770   95.842   30.206 -29.37574 45.30801 
1 1 1  -14   36   13 o   61.712   24.395  2306.65  1809.41 -1326.8929  9724.63  2436.95  1841.56   62.057   31.734   62.816   24.681 -0.7582130 40.20243 
1 1 1  -14   36   14 o   57.829   25.468  2256.70  2323.32   0.0000   0.0000  2256.70  2323.32  ?   ?    57.829   25.468 0.000000 25.46811 
1 1 1  -14   38    1 o  234.162   48.283 39113.12  8875.21   0.0000   0.0000 39113.12  8875.21  ?   ?   234.162   48.283 0.000000 48.28333 
1 1 1  -14   38    2 o  193.161   44.151 25296.93  6773.53   0.0000   0.0000 25296.93  6773.53  ?   ?   193.161   44.151 0.000000 44.15076 
1 1 1  -14   38    3 o  109.212   38.092  7995.95  4150.94   0.0000   0.0000  7995.95  4150.94  ?   ?   109.212   38.092 0.000000 38.09230 
1 1 1  -14   38    4 o  131.638   35.274 10618.70  3846.61   0.0000   0.0000 10618.70  3846.61  ?   ?   131.638   35.274 0.000000 35.27407 
1 1 1  -14   38    5 o  194.042   33.882 22095.92  5144.11   0.0000   0.0000 22095.92  5144.11  ?   ?   194.042   33.882 0.000000 33.88239 
1 1 1  -14   38    6 o   80.925   30.896  3870.30  2824.82   0.0000   0.0000  3870.30  2824.82  ?   ?    80.925   30.896 0.000000 30.89632 
1 1 1  -14   38    7 o   63.307   27.044  1612.15  2461.92 -2968.7310 11399.45  1836.27  2521.43   74.912   37.912   64.964   27.548 9.947815 46.86352 
1 1 1  -14   38    8 o  142.524   33.316 13130.01  3786.40 26449.17 11646.08 11555.71  4003.92  102.502   49.084  125.298   36.880 -22.79649 61.39518 
1 1 1  -14   38    9 o   66.828   28.133  2585.66  2599.36  4296.01 10667.92  2477.71  2680.14   73.172   36.989   66.204   28.247 6.967354 46.54141 
1 1 1  -14   38   10 o   52.998   22.655  1140.76  1729.72 -15961.8096 10524.08  1615.59  1753.57   57.689   29.690   56.842   23.453 0.8471260 37.83584 
1 1 1  -14   38   11 o   45.211   21.456 -506.3072  2124.40 14958.15 12065.93 -1001.0300  2158.11   69.275   35.419   43.576   20.936 25.69867 41.14420 
1 1 1  -14   40    1 o   57.922   27.061 -101.2183  3150.50   0.0000   0.0000 -101.2183  3150.50  ?   ?    57.922   27.061 0.000000 27.06127 
1 1 1  -14   40    2 o  106.635   39.068  9762.47  4422.09   0.0000   0.0000  9762.47  4422.09  ?   ?   106.635   39.068 0.000000 39.06755 
1 1 1  -14   40    3 o   88.657   35.407  6329.24  3847.64   0.0000   0.0000  6329.24  3847.64  ?   ?    88.657   35.407 0.000000 35.40686 
1 1 1  -14   40    4 o   75.614   32.593  4080.88  3635.98   0.0000   0.0000  4080.88  3635.98  ?   ?    75.614   32.593 0.000000 32.59320 
1 1 1  -14   40    5 o  111.991   39.663 11791.90  4512.17   0.0000   0.0000 11791.90  4512.17  ?   ?   111.991   39.663 0.000000 39.66265 
1 1 1  -14   40    6 o   81.952   33.588  5876.24  3566.98   0.0000   0.0000  5876.24  3566.98  ?   ?    81.952   33.588 0.000000 33.58847 
1 1 1  -14   40    7 o   66.025   29.450  3082.37  3206.41   0.0000   0.0000  3082.37  3206.41  ?   ?    66.025   29.450 0.000000 29.45014 
1 1 1  -14   40    8 o   70.086   30.622  4477.12  3300.14 -2944.8811 14795.33  4865.72  3385.43   61.610   31.845   71.655   31.167 -10.04590 44.55892 
1 1 1  -13    1    3 f  551.630   21.748 124553.60  9740.84 124589.80 16891.14 124535.60 11923.16  545.800   38.358  550.460   26.676 -4.659729 46.72214 
1 1 1  -13    1    4 o  782.702   37.982 254084.59 24138.65 255759.80 34143.24 252410.50 34131.18  774.935   54.612  769.581   54.983 5.354492 77.49576 
1 1 1  -13    1    5 o  636.974   21.682 165618.80 11214.16 170560.20 15856.41 160673.91 15862.03  644.747   30.288  625.575   31.228 19.17194 43.50359 
1 1 1  -13    1    6 o  644.965   21.947 169610.50 11493.59 177847.30 16254.07 161373.20 16254.70  659.144   30.370  626.788   32.046 32.35657 44.15063 
1 1 1  -13    1    7 o  234.257   8.7448 22291.73  1663.33 22216.86  2351.48 22366.71  2353.13  233.463   12.450  234.254   12.416 -0.7911682 17.58249 
1 1 1  -13    1    8 o  907.737   43.548 338766.91 32096.87 327886.41 45389.00 349650.09 45394.65  884.696   63.610  914.635   61.482 -29.93872 88.46643 
1 1 1  -13    1    9 f  1030.51   34.511 434465.00 28876.88 428161.00 40835.20 440770.81 40840.94  1018.92   49.358  1034.05   48.642 -15.12695 69.29829 
1 1 1  -13    1   10 o  1131.04   37.859 525023.81 34768.68 514128.00 49167.13 535922.38 49173.55  1112.86   54.412  1136.72   53.277 -23.86035 76.15205 
1 1 1  -13    1   11 o  377.466   13.105 57957.21  4016.60 54880.16  5677.03 61041.42  5683.64  366.411   19.148  387.039   18.086 -20.62814 26.33890 
1 1 1  -13    1   12 o  646.040   31.478 172413.80 16512.12 163749.91 23348.71 181082.09 23354.62  621.725   46.590  655.326   44.148 -33.60132 64.18517 
1 1 1  -13    1   13 o  408.789   14.280 68166.28  4739.71 68183.13  6701.18 68149.41  6704.75  407.868   20.235  407.764   20.250 0.1038818 28.62725 
1 1 1  -13    1   14 o  282.499   10.364 32494.42  2377.35 32426.97  3361.39 32561.92  3362.78  281.404   14.763  281.994   14.738 -0.5901489 20.86000 
1 1 1  -13    1   15 o  356.175   12.672 51770.92  3664.73 51461.32  5181.60 52080.79  5183.82  353.710   18.102  355.864   17.999 -2.153809 25.52743 
1 1 1  -13    1   16 o  170.211   12.228 11890.61  1678.70 12086.29  2867.59 11788.59  2070.58  169.796   21.266  168.967   15.257 0.8286896 26.17269 
1 1 1  -13    1   17 o  134.340   7.0488  7364.31  766.197  7482.03  1092.99  7250.55  1074.39  135.064   10.038  132.949   10.026 2.115707 14.18773 
1 1 1  -13    1   18 o  131.789   7.2006  7094.70  767.608  6409.09  1080.30  7793.83  1090.90  124.744   10.771  137.803   9.8137 -13.05875 14.57153 
1 1 1  -13    1   19 o   54.703   10.466  1267.25  447.933  504.292  602.673  2208.89  669.536   39.086   14.407   72.400   11.795 -33.31348 18.61977 
1 1 1  -13    1   20 o  135.748   7.8246  7569.52  858.795  6918.41  1235.31  8178.57  1194.74  128.745   11.953  140.469   10.552 -11.72339 15.94463 
1 1 1  -13    1   21 o   84.328   8.7514  2958.53  590.494  2440.09  831.202  3486.77  839.023   75.013   14.166   90.841   11.643 -15.82887 18.33678 
1 1 1  -13    1   22 o  228.368   9.8386 21674.04  1824.35 21555.00  2573.00 21794.39  2587.10  224.580   14.183  225.828   14.181 -1.248795 20.05638 
1 1 1  -13    1   23 o  251.309   10.535 26544.02  2149.64 26422.16  3023.73 26668.55  3056.64  245.857   15.222  246.887   15.323 -1.030045 21.59883 
1 1 1  -13    1   24 o   91.746   9.3690  3575.86  688.151  3179.51  954.225  4005.36  993.338   83.945   14.526   95.191   13.208 -11.24670 19.63246 
1 1 1  -13    1   25 o   41.375   14.049  753.521  563.411  522.217  763.379  1030.26  834.997   39.607   15.786   47.694   17.044 -8.086945 23.23109 
1 1 1  -13    1   26 o   65.525   12.929  2031.06  663.442  1079.59  901.400  3155.73  980.019   46.923   17.555   79.572   15.726 -32.64960 23.56885 
1 1 1  -13    3    3 o  624.838   43.952 164075.80 22157.14 164075.80 22157.14   0.0000   0.0000  624.838   43.952  ?   ?  0.000000 43.95237 
1 1 1  -13    3    4 o  150.780   7.1743  9236.24  878.334  8956.01  1534.13  9372.88  1071.29  147.801   12.913  151.614   8.7392 -3.813599 15.59237 
1 1 1  -13    3    5 o  579.867   19.381 137049.00  9125.36 135774.91 12897.50 138326.20 12912.94  576.006   27.577  581.430   27.352 -5.423828 38.84070 
1 1 1  -13    3    6 o  649.849   21.984 172149.09 11600.18 171163.41 16393.80 173137.50 16416.50  646.649   31.223  650.391   31.086 -3.741638 44.05928 
1 1 1  -13    3    7 o  392.731   13.605 62702.42  4338.32 61427.33  6124.49 63986.57  6146.20  388.445   19.418  396.473   19.092 -8.027374 27.23169 
1 1 1  -13    3    8 o  969.820   46.216 387205.91 36393.05 363675.31 51440.24 410786.59 51494.88  929.893   68.614  990.584   64.372 -60.69086 94.08280 
1 1 1  -13    3    9 o  255.185   9.3126 26452.42  1929.59 25570.48  2719.16 27347.04  2738.64  250.460   13.420  259.064   13.061 -8.604340 18.72659 
1 1 1  -13    3   10 o  1096.44   36.849 493350.81 32805.09 492053.00 46383.86 494649.59 46402.95  1089.02   52.456  1091.94   52.337 -2.922607 74.09987 
1 1 1  -13    3   11 o  622.913   21.025 158374.20 10634.08 154364.09 15029.80 162394.00 15047.93  613.244   30.184  629.156   29.456 -15.91180 42.17551 
1 1 1  -13    3   12 o  106.990   8.8892  4686.05  765.229  5202.77  1081.26  4167.53  1083.14  112.416   12.033  100.228   13.666 12.18810 18.20795 
1 1 1  -13    3   13 o  601.167   20.592 148199.20 10051.63 152484.41 14206.04 143903.00 14224.29  606.903   28.828  588.457   29.868 18.44586 41.51078 
1 1 1  -13    3   14 o  668.872   22.900 184269.59 12437.01 180765.70 17579.03 187781.09 17598.15  656.645   33.077  670.470   32.326 -13.82471 46.24956 
1 1 1  -13    3   15 o  149.777   6.9616  9122.03  846.627  8036.85  1187.37 10244.32  1207.50  140.052   10.518  158.339   9.4349 -18.28650 14.12977 
1 1 1  -13    3   16 o  246.965   9.4241 24848.99  1889.78 25887.38  2663.96 23797.09  2681.24  251.326   13.100  240.817   13.769 10.50911 19.00520 
1 1 1  -13    3   17 o  293.533   10.977 35184.11  2616.29 37342.85  3696.04 33016.10  3703.96  301.246   15.159  282.939   16.190 18.30627 22.17890 
1 1 1  -13    3   18 o  359.261   13.016 52963.45  3796.87 53599.27  5360.99 52323.53  5378.21  359.047   18.451  354.603   18.746 4.444061 26.30310 
1 1 1  -13    3   19 f   84.930   8.4701  2977.22  576.308  2688.23  786.650  3312.01  846.705   79.852   12.546   88.931   12.035 -9.079826 17.38537 
1 1 1  -13    3   20 o   95.938   8.0152  3796.58  618.648  3602.94  835.050  4032.16  921.059   92.707   11.329   98.021   11.810 -5.313988 16.36562 
1 1 1  -13    3   21 o   55.423   9.6738  1304.34  419.502  1437.45  579.881  1158.18  607.621   57.549   12.746   51.589   14.102 5.959808 19.00855 
1 1 1  -13    3   22 o   23.223   10.542 -236.5146  431.788 -312.6045  567.565 -131.9648  665.294   26.488   12.048   30.954   13.631 -4.466244 18.19227 
1 1 1  -13    3   23 o   56.698   12.464  1418.53  558.160  1475.57  692.493  1312.77  943.006   57.238   14.793   54.533   18.176 2.705273 23.43522 
1 1 1  -13    3   24 o   50.634   13.378  1160.46  558.249  1594.74  729.512  546.792  867.184   58.752   15.183   42.110   16.812 16.64111 22.65307 
1 1 1  -13    3   25 o   61.142   12.830  1714.27  616.620  1473.52  794.963  2077.87  976.975   55.073   16.488   64.364   17.994 -9.291637 24.40566 
1 1 1  -13    3   26 o   66.300   13.358  2102.63  694.249  1450.65  852.028  3390.65  1197.57   52.542   17.266   79.004   18.919 -26.46138 25.61322 
1 1 1  -13    5    2 o  710.945   50.286 213918.50 28840.89 213918.50 28840.89   0.0000   0.0000  710.945   50.286  ?   ?  0.000000 50.28580 
1 1 1  -13    5    3 o  776.848   54.882 255858.41 34395.53 255858.41 34395.53   0.0000   0.0000  776.848   54.882  ?   ?  0.000000 54.88216 
1 1 1  -13    5    4 o  313.805   15.886 40192.12  4034.57 35534.59  5714.97 44819.70  5696.57  293.930   24.160  330.754   21.325 -36.82404 32.22499 
1 1 1  -13    5    5 o  266.962   10.971 28965.23  2378.10 28202.42  4143.30 29339.98  2904.09  262.391   19.588  268.615   13.315 -6.223999 23.68541 
1 1 1  -13    5    6 f  359.661   12.508 52579.53  3652.69 52705.11  5161.53 52453.55  5169.86  359.875   17.664  359.012   17.735 0.8633118 25.03093 
1 1 1  -13    5    7 o  794.939   27.203 257860.59 17558.58 253044.59 24822.79 262683.50 24840.38  785.395   38.925  800.362   38.224 -14.96649 54.55437 
1 1 1  -13    5    8 o  1226.65   47.448 619654.50 47258.36 568100.19 81800.48 645482.31 57898.34  1151.82   88.134  1247.97   57.138 -96.15283 105.0344 
1 1 1  -13    5    9 o  603.936   19.894 148479.50  9755.37 147081.59 13784.91 149882.00 13807.47  600.258   28.283  605.971   28.062 -5.713318 39.84256 
1 1 1  -13    5   10 o  131.422   6.1516  7014.36  656.436  7540.75  920.262  6469.06  936.637  135.987   8.3752  125.846   9.2307 10.14063 12.46391 
1 1 1  -13    5   11 o  818.967   27.586 275173.09 18344.07 288545.59 25929.13 261773.20 25955.74  834.609   38.262  793.069   40.442 41.54004 55.67316 
1 1 1  -13    5   12 o  514.069   20.375 108190.80  8504.67 108491.00 10404.93 107586.50 14762.14  513.714   24.945  506.951   36.099 6.762360 43.87887 
1 1 1  -13    5   13 o  424.818   14.798 73660.95  5104.39 75103.51  7203.69 72206.32  7233.81  427.858   20.736  418.872   21.340 8.986389 29.75481 
1 1 1  -13    5   14 f   98.300   6.3005  3943.52  500.234  4290.46  683.967  3544.51  733.504  102.365   8.3004   92.787   9.8883 9.578606 12.91029 
1 1 1  -13    5   15 o  357.389   12.678 52139.91  3678.92 53015.04  5187.55 51254.43  5218.14  359.430   17.775  352.848   18.276 6.581329 25.49438 
1 1 1  -13    5   16 o  168.373   7.3855 11535.30  1009.70 11310.75  1400.12 11778.64  1457.47  166.219   10.427  169.607   10.637 -3.388092 14.89516 
1 1 1  -13    5   17 o  344.323   12.306 48499.17  3440.42 49733.48  4852.97 47252.04  4878.12  347.427   17.203  338.017   17.837 9.409698 24.78094 
1 1 1  -13    5   18 o  294.649   10.864 35527.64  2599.22 36284.88  3664.55 34760.98  3687.24  296.253   15.286  289.796   15.729 6.457458 21.93336 
1 1 1  -13    5   19 o   28.285   11.055  198.982  367.844 -11.2540  463.401  557.112  604.818   27.415   11.723   40.021   14.481 -12.60612 18.63081 
1 1 1  -13    5   20 o  120.263   7.8034  5949.82  757.881  5391.48  1031.21  6605.64  1117.61  113.616   11.329  125.950   11.040 -12.33443 15.81857 
1 1 1  -13    5   21 o  100.169   7.9293  4149.25  639.647  3950.96  842.279  4419.44  983.172   96.949   10.888  102.215   12.080 -5.266418 16.26243 
1 1 1  -13    5   22 o   54.621   12.347  1305.09  534.719  1275.19  643.122  1372.06  962.402   53.685   14.439   56.122   18.346 -2.436825 23.34649 
1 1 1  -13    5   23 o  136.344   8.4660  7755.50  932.615  7212.43  1281.66  8366.66  1359.63  129.533   12.335  139.725   12.104 -10.19170 17.28139 
1 1 1  -13    5   24 o   96.198   8.9899  3922.08  694.059  3406.04  890.928  4718.73  1106.97   87.680   12.900  103.007   13.565 -15.32735 18.71943 
1 1 1  -13    5   25 o   53.063   12.770  1302.08  543.556  1531.25  653.328  786.728  979.725   56.939   14.184   45.091   17.911 11.84819 22.84716 
1 1 1  -13    5   26 o   31.465   12.407  339.024  466.852  566.206  545.277 -284.7696  903.548   36.550   13.658   32.199   14.852 4.350296 20.17731 
1 1 1  -13    7    1 o  143.392   9.3819  8391.79  1086.30  9279.39  1556.09  7548.02  1517.18  150.492   12.858  135.480   13.993 15.01190 19.00377 
1 1 1  -13    7    2 o  430.037   21.245 75454.59  7418.29 74467.92 10527.54 76427.70 10454.93  424.996   30.714  430.710   30.084 -5.713104 42.99298 
1 1 1  -13    7    3 o  197.853   11.112 15962.04  1777.87 14792.31  2539.79 17085.95  2489.55  189.900   16.639  204.362   15.110 -14.46106 22.47639 
1 1 1  -13    7    4 o  602.397   29.130 148407.20 14248.24 146252.30 20177.18 150550.50 20123.03  594.236   42.090  603.154   41.339 -8.917847 58.99549 
1 1 1  -13    7    5 o  213.455   11.715 18573.12  2022.67 15236.12  2881.38 21815.04  2840.04  192.570   18.662  231.101   15.220 -38.53076 24.08170 
1 1 1  -13    7    6 o  1438.07  104.334 906776.81 120998.20 906776.81 120998.20   0.0000   0.0000  1438.07  104.334  ?   ?  0.000000 104.3344 
1 1 1  -13    7    7 o  439.010   21.351 78474.23  7610.75 82972.60 10787.10 74015.47 10739.52  449.839   29.700  424.499   31.380 25.34027 43.20690 
1 1 1  -13    7    8 o  1503.07   73.946 949710.31 90246.62   0.0000   0.0000 949710.31 90246.62  ?   ?   1503.07   73.946 0.000000 73.94578 
1 1 1  -13    7    9 o  603.833   21.174 148532.00 10381.54 154500.20 14672.03 142548.09 14691.42  614.878   29.388  589.643   30.793 25.23566 42.56532 
1 1 1  -13    7   10 o  555.354   18.726 125690.00  8444.07 128144.30 11930.90 123226.80 11952.56  559.724   26.252  548.790   26.824 10.93469 37.53220 
1 1 1  -13    7   11 o  453.079   18.187 83796.57  6690.91 80960.11 11624.36 85201.91  8182.24  441.541   32.655  456.274   22.086 -14.73325 39.42245 
1 1 1  -13    7   12 o  556.117   19.080 126573.70  8615.62 129855.20 12172.65 123279.60 12196.03  561.119   26.717  545.779   27.611 15.34052 38.42089 
1 1 1  -13    7   13 o  115.193   6.4596  5409.91  601.750  6773.53  831.110  3907.45  872.396  128.815   7.9855   97.304   11.249 31.51097 13.79542 
1 1 1  -13    7   14 o  542.076   19.157 120620.00  8431.87 121110.30 11907.62 120127.00 11941.37  539.506   27.271  537.213   27.468 2.293701 38.70646 
1 1 1  -13    7   15 f  483.591   16.912 95922.80  6640.71 94776.70  9372.37 97078.23  9410.49  477.552   24.250  484.019   23.945 -6.467255 34.07981 
1 1 1  -13    7   16 o  121.532   6.8318  6027.47  671.431  6052.42  903.916  5996.75  1002.87  121.527   9.2294  120.821   10.322 0.7058792 13.84623 
1 1 1  -13    7   17 o  313.838   11.536 40272.52  2939.74 40151.09  4135.42 40396.57  4179.77  311.829   16.390  312.742   16.518 -0.9132690 23.27031 
1 1 1  -13    7   18 o  175.097   7.7729 12502.97  1105.09 11607.56  1533.07 13471.46  1594.41  167.923   11.310  181.043   10.897 -13.11992 15.70522 
1 1 1  -13    7   19 o  168.799   7.9974 11652.25  1096.11 11841.18  1516.65 11445.64  1585.96  169.249   11.098  166.183   11.831 3.065582 16.22111 
1 1 1  -13    7   20 o   70.381   8.4401  2062.17  472.709  2313.02  602.136  1659.24  763.136   74.185   10.272   61.598   15.321 12.58776 18.44612 
1 1 1  -13    7   21 o  173.571   8.3833 12411.82  1181.50 10856.67  1635.07 14111.11  1709.17  160.400   12.657  183.555   11.526 -23.15581 17.11900 
1 1 1  -13    7   22 o  122.773   8.4857  6266.72  840.736  6245.97  1131.40  6292.31  1256.35  121.339   11.626  121.169   12.971 0.1703186 17.41876 
1 1 1  -13    7   23 o   81.836   9.4106  2836.85  613.933  2829.92  763.194  2849.56  1033.47   80.718   12.011   78.804   16.672 1.914658 20.54756 
1 1 1  -13    7   24 o   22.742   10.424 -263.1644  435.601  530.719  525.399 -2008.7600  779.081   37.046   13.482   21.368   10.692 15.67847 17.20708 
1 1 1  -13    7   25 o   48.516   12.634  1093.90  502.629  1359.44  576.783  255.770  1024.71   53.844   13.277   39.651   17.197 14.19270 21.72532 
1 1 1  -13    7   26 o   71.091   10.994  2320.90  614.138  2057.78  721.228  3014.87  1171.29   64.462   14.166   72.590   19.470 -8.127876 24.07847 
1 1 1  -13    9    1 o  276.352   11.933 31042.16  2677.53 29439.98  4629.88 31847.28  3282.04  267.919   21.463  279.458   14.514 -11.53903 25.90976 
1 1 1  -13    9    2 o  821.749   39.791 277688.41 26549.97 268532.00 37577.62 286815.31 37517.11  800.359   58.223  828.193   56.122 -27.83466 80.86733 
1 1 1  -13    9    3 o  632.945   30.527 163815.20 15688.85 167832.59 22229.80 159828.30 22145.22  636.973   43.237  621.276   44.187 15.69708 61.82201 
1 1 1  -13    9    4 o  106.793   8.0425  4658.60  692.269  4703.85  1009.49  4618.43  951.144  106.934   11.824  106.018   11.220 0.9164658 16.30013 
1 1 1  -13    9    5 o  1036.47   49.953 443487.50 42039.62 440951.81 59490.63 446016.81 59415.45  1022.08   72.148  1028.24   71.612 -6.166992 101.6545 
1 1 1  -13    9    6 o  978.578   46.651 394130.69 37067.58 416689.31 52460.36 371638.69 52382.67  997.850   65.105  940.364   69.088 57.48602 94.93077 
1 1 1  -13    9    7 o  1128.20   55.315 526815.19 50671.75   0.0000   0.0000 526815.19 50671.75  ?   ?   1128.20   55.315 0.000000 55.31461 
1 1 1  -13    9    8 o  743.612   29.099 225856.30 17569.88 236738.00 30508.03 220456.00 21491.87  755.304   50.029  733.478   36.087 21.82587 61.68587 
1 1 1  -13    9    9 o  935.152   36.545 359537.41 27748.78 390067.59 48137.42 344343.69 33958.71  961.031   62.020  910.735   46.072 50.29547 77.25987 
1 1 1  -13    9   10 o  542.270   21.317 120152.20  9385.94 134673.80 16324.23 112980.70 11471.80  569.849   35.456  524.139   27.048 45.70941 44.59508 
1 1 1  -13    9   11 o  388.863   15.758 61695.06  4975.63 63932.38  6092.33 57213.55  8622.45  395.412   18.976  371.269   28.829 24.14322 34.51313 
1 1 1  -13    9   12 o  338.508   11.424 46665.88  3140.09 44424.48  4432.46 48924.13  4449.09  329.294   16.631  346.107   15.832 -16.81256 22.96175 
1 1 1  -13    9   13 o   71.023   6.0859  2065.05  347.578  2197.32  467.675  1901.83  519.499   73.068   8.0143   67.667   9.7355 5.400711 12.60986 
1 1 1  -13    9   14 o  297.515   11.324 36085.39  2735.55 36973.32  3858.05 35187.63  3879.33  300.141   15.887  292.681   16.390 7.460815 22.82622 
1 1 1  -13    9   15 o  377.520   13.796 58287.76  4228.79 59117.01  5966.84 57450.92  5994.08  378.341   19.489  372.832   19.872 5.508759 27.83405 
1 1 1  -13    9   16 o  362.702   13.509 53862.33  3978.49 56061.60  5614.95 51644.95  5638.00  368.110   18.849  352.949   19.752 15.16083 27.30283 
1 1 1  -13    9   17 f   80.834   7.0399  2680.54  457.442  3011.88  585.010  2159.17  733.839   85.527   8.5382   71.468   13.130 14.05954 15.66183 
1 1 1  -13    9   18 o  194.171   8.3054 15397.36  1309.43 15834.97  1822.69 14930.62  1882.36  196.055   11.500  190.167   12.256 5.888947 16.80661 
1 1 1  -13    9   19 o  137.553   7.7210  7764.49  858.857  8135.17  1189.48  7360.75  1241.40  140.179   10.527  133.018   11.610 7.160538 15.67229 
1 1 1  -13    9   20 o  112.233   7.6729  5189.79  695.034  5155.29  901.403  5240.38  1091.51  111.270   10.087  111.542   12.254 -0.2723465 15.87117 
1 1 1  -13    9   21 o   33.861   10.795  470.319  334.546  831.050  371.571 -1073.9690  768.802   43.842   10.563   25.959   12.478 17.88224 16.34882 
1 1 1  -13    9   22 o  150.461   8.3143  9401.99  1011.81  8237.07  1364.03 10827.15  1508.72  139.000   12.209  159.780   11.711 -20.77988 16.91779 
1 1 1  -13    9   23 o  101.822   8.8721  4364.30  726.186  4206.70  887.974  4682.54  1261.83   98.901   11.258  101.847   15.768 -2.946823 19.37481 
1 1 1  -13    9   24 o   13.502   6.7075 -678.1440  284.061 -489.5553  291.752 -4114.2148  1245.34   15.272   7.4234   24.232   12.292 -8.960193 14.35999 
1 1 1  -13    9   25 o   30.852   11.760  337.757  408.824  382.293  438.685   43.627  1127.37   32.235   12.207   38.825   17.379 -6.590111 21.23800 
1 1 1  -13   11    1 o  850.231   33.218 295671.09 22932.20 276104.41 39731.63 305445.59 28081.89  812.540   60.659  862.714   40.089 -50.17413 72.70911 
1 1 1  -13   11    2 o  981.708   47.386 397158.59 37772.18 394910.50 53454.48 399400.59 53381.46  969.009   68.378  974.775   67.868 -5.766174 96.34095 
1 1 1  -13   11    3 o  983.699   47.479 398644.41 37923.23 393490.41 53675.58 403781.50 53587.61  967.435   68.779  980.568   67.720 -13.13330 96.52234 
1 1 1  -13   11    4 o  1033.48   72.438 449951.81 60402.02 449951.81 60402.02   0.0000   0.0000  1033.48   72.438  ?   ?  0.000000 72.43752 
1 1 1  -13   11    5 o  551.960   27.127 124249.40 12157.46 116195.00 17250.89 132197.00 17136.19  530.836   40.325  566.977   37.434 -36.14191 55.02142 
1 1 1  -13   11    6 o  571.061   27.581 133040.50 12788.65 136931.50 18138.84 129194.60 18033.38  576.686   38.966  559.887   39.930 16.79895 55.79186 
1 1 1  -13   11    7 o  624.808   23.707 159134.30 12027.30 188599.50 20953.46 144656.00 14687.94  676.954   38.277  594.146   30.549 82.80878 48.97359 
1 1 1  -13   11    8 o  919.719   35.377 347407.69 26419.18 394367.50 45877.11 324107.91 32315.36  968.652   58.606  884.062   45.169 84.58990 73.99223 
1 1 1  -13   11    9 o  245.813   10.959 24570.68  2187.29 24828.19  3904.53 24452.91  2640.50  245.877   19.723  244.768   13.336 1.109619 23.80908 
1 1 1  -13   11   10 o  440.198   17.150 79098.60  6129.96 94623.81 10731.36 71579.40  7468.31  478.603   27.734  417.435   22.113 61.16852 35.47022 
1 1 1  -13   11   11 o  583.018   30.091 141195.80 14196.21 118651.50 20167.76 163336.50 19986.41  525.268   47.810  622.035   39.780 -96.76703 62.19498 
1 1 1  -13   11   12 o  234.211   10.656 22335.98  2026.55 18861.85  3612.53 23931.32  2448.02  213.301   21.137  241.978   12.502 -28.67760 24.55737 
1 1 1  -13   11   13 o  208.253   9.7578 17657.76  1649.99 17141.63  2988.48 17884.08  1978.95  203.666   18.266  209.129   11.701 -5.463486 21.69211 
1 1 1  -13   11   14 o  134.641   6.6630  7371.39  728.425  7529.83  1018.13  7205.24  1042.60  135.663   9.2989  132.642   9.7489 3.021835 13.47255 
1 1 1  -13   11   15 o  208.436   8.3598 17690.25  1414.83 17929.15  1990.23 17446.18  2011.68  209.211   11.764  206.318   12.061 2.893066 16.84789 
1 1 1  -13   11   16 o  134.413   6.7825  7370.77  737.848  6886.31  1003.90  7939.94  1088.13  129.580   9.6099  139.180   9.6891 -9.599731 13.64659 
1 1 1  -13   11   17 o   78.774   6.8991  2546.72  436.831  3123.93  569.310  1720.38  681.177   87.146   8.1399   63.510   13.618 23.63680 15.86541 
1 1 1  -13   11   18 o  111.983   7.3370  5141.00  663.438  4962.92  877.634  5378.45  1013.44  109.564   9.9745  113.857   11.104 -4.293266 14.92577 
1 1 1  -13   11   19 o  151.835   7.7636  9466.68  953.934  9106.86  1311.05  9871.48  1390.60  148.075   10.983  154.133   11.188 -6.057999 15.67736 
1 1 1  -13   11   20 f  105.533   7.6458  4595.48  650.724  5050.20  839.820  3912.34  1029.36  110.197   9.4781   95.613   13.646 14.58425 16.61490 
1 1 1  -13   11   21 o   29.887   10.953  305.891  347.622  374.040  384.797   3.4269  810.657   32.191   11.563   35.684   15.386 -3.493660 19.24646 
1 1 1  -13   11   22 o   68.546   9.3726  1993.46  507.983  2085.82  569.182  1631.93  1126.13   69.826   10.353   60.000   19.856 9.825844 22.39317 
1 1 1  -13   11   23 o  110.128   8.6666  5105.62  768.714  4873.75  942.920  5565.12  1327.40  106.403   11.076  111.220   15.088 -4.817123 18.71740 
1 1 1  -13   11   24 o   87.000   9.7499  3271.31  676.895  3298.80  761.976  3168.42  1474.13   86.623   11.088   76.413   22.345 10.21014 24.94520 
1 1 1  -13   11   25 o   73.675   10.466  2430.88  608.479  2444.33  654.455  2345.16  1652.61   73.295   11.365   61.324   23.580 11.97038 26.17562 
1 1 1  -13   13    1 o  623.300   24.867 158306.20 12585.35 157591.09 21823.07 158662.50 15405.16  618.022   43.772  623.432   30.433 -5.410095 53.31131 
1 1 1  -13   13    2 o  1214.48   59.051 611357.62 58231.08 575324.12 82387.95 647326.62 82314.45  1160.82   88.066  1235.27   82.543 -74.45520 120.7025 
1 1 1  -13   13    3 o  723.633   35.189 214188.91 20676.03 205626.20 29294.18 222689.00 29186.75  704.218   51.590  733.650   49.282 -29.43127 71.34612 
1 1 1  -13   13    4 o  579.928   28.181 137221.50 13270.06 139587.91 18825.15 134884.41 18708.79  582.094   40.074  572.060   40.540 10.03387 57.00383 
1 1 1  -13   13    5 o  832.914   39.887 284699.09 26975.66 295774.19 38218.81 273704.19 38080.27  842.790   56.171  809.815   58.303 32.97491 80.95963 
1 1 1  -13   13    6 o  732.537   51.037 223345.70 30166.97   0.0000   0.0000 223345.70 30166.97  ?   ?   732.537   51.037 0.000000 51.03704 
1 1 1  -13   13    7 o  283.862   14.777 32874.41  3394.05 37026.31  4882.88 28993.18  4721.04  300.710   20.114  265.671   22.086 35.03931 29.87230 
1 1 1  -13   13    8 o  398.500   16.589 64718.80  5367.80 65870.20  9462.70 64172.50  6517.96  399.358   29.388  395.920   20.344 3.437775 35.74292 
1 1 1  -13   13    9 o  220.071   11.141 19757.79  1984.27 14186.72  3614.30 22161.42  2374.05  184.292   24.782  232.958   12.598 -48.66615 27.79974 
1 1 1  -13   13   10 o  263.544   13.616 28389.41  2903.63 31242.17  4275.38 25947.06  3955.90  275.616   19.225  250.994   19.565 24.62169 27.42981 
1 1 1  -13   13   11 o  101.025   7.4077  4171.40  603.409  2974.02  1259.17  4528.34  687.489   83.573   18.988  105.214   8.1099 -21.64137 20.64705 
1 1 1  -13   13   12 o  830.748   33.986 289523.81 22924.76 273404.81 39873.83 297482.69 28018.50  774.437   63.984  835.698   41.291 -61.26007 76.15047 
1 1 1  -13   13   13 o  289.863   12.684 34295.33  2985.20 31421.57  5354.86 35591.14  3595.78  274.488   24.277  294.584   15.084 -20.09528 28.58090 
1 1 1  -13   13   14 o  519.786   21.076 111614.90  8895.15 109043.80 15587.61 112856.50 10832.02  502.521   38.495  520.521   25.629 -18.00009 46.24605 
1 1 1  -13   13   15 o  275.697   12.075 31070.00  2703.07 32934.35  4901.40 30255.14  3240.39  280.961   21.652  271.211   14.770 9.749847 26.21011 
1 1 1  -13   13   16 o  430.305   18.082 76638.42  6317.73 71007.29 11161.58 79293.04  7663.54  403.044   34.437  435.888   21.653 -32.84497 40.67859 
1 1 1  -13   13   17 o  342.755   15.162 48629.39  4219.80 43247.10  7526.87 51096.52  5095.97  313.539   29.929  349.540   18.017 -36.00098 34.93332 
1 1 1  -13   13   18 o  129.136   7.2382  6835.61  755.900  5825.97  1019.44  8068.63  1126.58  118.482   10.713  139.762   9.9933 -21.28000 14.65013 
1 1 1  -13   13   19 o  118.983   7.4611  5823.28  717.173  5974.91  950.366  5622.72  1093.00  119.959   9.8438  115.785   11.791 4.174248 15.35960 
1 1 1  -13   13   20 o   61.307   8.9283  1582.70  431.391  1740.55  482.776  957.374  960.917   64.192   9.5537   50.260   18.242 13.93251 20.59236 
1 1 1  -13   13   21 o   81.931   8.4411  2805.75  553.501  3227.24  656.789  1772.78  1028.20   87.650   9.3739   62.446   18.764 25.20431 20.97533 
1 1 1  -13   13   22 o  102.446   8.3008  4390.60  684.551  4611.84  845.481  3969.56  1166.39  104.285   10.112   93.841   15.874 10.44312 18.82096 
1 1 1  -13   13   23 o   19.858   8.9395 -131.3533  302.903 -132.6738  316.625 -117.1006  1040.21   20.351   9.1526   37.726   16.805 -17.37427 19.13535 
1 1 1  -13   13   24 o   17.062   8.0209 -277.4164  284.125 -197.4924  293.656 -1449.0210  1124.32   18.443   8.4923   30.160   14.640 -11.71701 16.92489 
1 1 1  -13   13   25 o   34.123   11.574  517.844  382.388  526.267  394.108  382.517  1579.71   34.402   11.750   44.122   20.081 -9.719536 23.26628 
1 1 1  -13   15    1 o  762.072   30.219 237213.50 18698.75 211858.50 32430.10 249840.70 22886.06  712.742   56.500  781.086   36.086 -68.34344 67.04070 
1 1 1  -13   15    2 o  534.581   21.776 116400.70  9452.23 109627.80 16382.39 119780.60 11572.81  515.421   39.444  541.881   26.302 -26.46008 47.40977 
1 1 1  -13   15    3 o  214.793   12.838 18820.13  2228.78 17331.73  3213.70 20199.42  3093.66  205.411   19.502  222.143   17.288 -16.73222 26.06137 
1 1 1  -13   15    4 o  838.248   58.813 294744.19 39776.49   0.0000   0.0000 294744.19 39776.49  ?   ?   838.248   58.813 0.000000 58.81307 
1 1 1  -13   15    5 o  460.036   22.378 86347.84  8358.85 97954.77 11904.76 75061.16 11739.38  488.082   30.187  426.184   34.213 61.89758 45.62654 
1 1 1  -13   15    6 o  886.794   42.164 326398.81 30359.87 364012.09 43027.79 289107.19 42843.48  926.294   57.493  820.316   64.852 105.9778 86.66682 
1 1 1  -13   15    7 o  653.591   31.018 176086.30 16461.28 200147.20 23380.17 152434.41 23180.64  691.399   41.844  600.150   47.970 91.24915 63.65569 
1 1 1  -13   15    8 f  420.673   20.892 72463.73  7136.04 77106.11 10203.18 68018.54  9984.15  431.216   29.315  404.498   30.626 26.71829 42.39466 
1 1 1  -13   15    9 o  442.925   22.601 80765.05  8101.04 77678.17 11676.00 83630.34 11249.12  430.746   33.651  447.997   31.118 -17.25082 45.83331 
1 1 1  -13   15   10 o  134.766   7.9755  7410.95  868.836  5928.39  1754.63  7892.54  1000.04  118.900   18.800  139.007   8.9071 -20.10691 20.80295 
1 1 1  -13   15   11 o  160.221   12.489 10530.77  1611.85   0.0000   0.0000 10530.77  1611.85  ?   ?   160.221   12.489 0.000000 12.48851 
1 1 1  -13   15   12 o  233.052   10.225 22125.70  1934.89 25221.29  3586.82 20855.14  2297.92  247.307   17.985  225.717   12.588 21.59009 21.95301 
1 1 1  -13   15   13 f  284.937   12.802 33167.20  2961.90 29752.11  5393.73 34641.66  3544.08  266.394   25.237  290.473   15.078 -24.07901 29.39833 
1 1 1  -13   15   14 o  353.396   14.561 51183.77  4178.31 57174.95  7510.06 48497.90  5028.41  369.280   25.197  342.655   18.138 26.62482 31.04630 
1 1 1  -13   15   15 o  498.008   20.452 102998.50  8270.09 102510.90 14598.02 103228.90 10035.94  483.076   37.511  495.239   25.039 -12.16260 45.10024 
1 1 1  -13   15   16 o  153.964   9.2403  9719.11  1149.82 10381.42  2385.05  9518.57  1312.41  156.723   19.140  152.108   10.694 4.614487 21.92520 
1 1 1  -13   15   17 o  127.543   9.9906  6715.64  1026.36  9080.61  2453.03  6213.76  1130.03  144.601   21.551  122.316   11.514 22.28532 24.43377 
1 1 1  -13   15   18 f  115.111   10.286  5506.15  951.256  4447.02  2194.89  5751.10  1055.54   97.774   26.834  117.414   11.208 -19.64036 29.08053 
1 1 1  -13   15   19 f  185.729   10.834 14365.60  1626.67 18116.02  3583.15 13392.01  1825.64  200.943   22.339  178.476   12.680 22.46736 25.68716 
1 1 1  -13   15   20 o  202.902   11.576 17308.82  1899.24 17882.62  3910.10 17131.64  2172.77  194.329   25.387  200.689   13.411 -6.359909 28.71189 
1 1 1  -13   15   21 o   64.527   16.205  1893.39  847.837  2520.85  2313.85  1796.08  911.211   73.497   27.986   62.605   17.334 10.89184 32.91917 
1 1 1  -13   15   22 o   39.711   16.882  214.533  951.029 -536.9102  2410.35  353.085  1035.00   52.537   24.241   42.421   17.800 10.11554 30.07470 
1 1 1  -13   15   23 o   43.278   19.490 -70.2218  1441.34   0.0000   0.0000 -70.2218  1441.34  ?   ?    43.278   19.490 0.000000 19.48954 
1 1 1  -13   15   24 f   73.878   23.387  3314.27  1572.47   0.0000   0.0000  3314.27  1572.47  ?   ?    73.878   23.387 0.000000 23.38737 
1 1 1  -13   17    1 o  291.773   16.306 34767.38  3847.64   0.0000   0.0000 34767.38  3847.64  ?   ?   291.773   16.306 0.000000 16.30622 
1 1 1  -13   17    2 o  682.843   33.909 191742.59 18800.88   0.0000   0.0000 191742.59 18800.88  ?   ?   682.843   33.909 0.000000 33.90932 
1 1 1  -13   17    3 o  568.534   28.376 132538.50 13099.38 125161.10 18603.82 139792.59 18447.79  547.716   42.156  579.969   39.408 -32.25354 57.70714 
1 1 1  -13   17    4 o  131.335   10.632  7059.71  1124.11  5808.72  1692.09  8047.98  1503.95  117.974   18.254  139.983   13.395 -22.00905 22.64146 
1 1 1  -13   17    5 o  304.954   16.656 38038.08  4108.70 35827.62  5925.98 40084.36  5701.66  294.535   25.016  312.111   22.653 -17.57635 33.74817 
1 1 1  -13   17    6 o  321.485   16.858 42300.43  4385.24 46264.57  6314.77 38608.10  6094.44  335.049   23.358  305.629   24.772 29.41983 34.04744 
1 1 1  -13   17    7 o  591.665   28.882 144660.41 13875.28 153587.70 19747.46 135955.20 19500.11  603.321   40.547  566.304   42.723 37.01752 58.90036 
1 1 1  -13   17    8 o  524.903   38.466 116267.30 16280.05 116267.30 16280.05   0.0000   0.0000  524.903   38.466  ?   ?  0.000000 38.46573 
1 1 1  -13   17    9 o  222.465   9.6679 20140.84  1746.36 24074.06  3319.05 18635.07  2053.61  242.030   16.997  213.528   11.892 28.50208 20.74391 
1 1 1  -13   17   10 o  153.001   9.0822  9559.73  1123.24  5870.65  2233.15 10809.14  1299.60  117.174   24.270  162.643   9.8878 -45.46924 26.20721 
1 1 1  -13   17   11 o  230.518   11.010 21659.24  2060.86 16185.22  3865.46 23833.14  2435.95  196.232   24.815  241.357   12.473 -45.12480 27.77299 
1 1 1  -13   17   12 o  453.717   18.540 84660.38  6830.07 83897.52 12155.19 85012.38  8256.84  443.882   33.983  453.313   22.432 -9.431580 40.71968 
1 1 1  -13   17   13 o  493.078   20.851 100586.50  8347.89 88490.94 14779.13 106253.70 10116.22  449.177   40.973  504.889   24.677 -55.71219 47.83017 
1 1 1  -13   17   14 o  217.081   10.708 19247.30  1887.33 17401.38  3650.96 19920.48  2204.78  203.195   22.507  220.283   12.377 -17.08847 25.68539 
1 1 1  -13   17   15 o  412.130   17.418 70408.37  5828.77 68675.95 10477.31 71184.86  7014.44  395.629   32.914  411.967   21.040 -16.33878 39.06432 
1 1 1  -13   17   16 o   76.097   11.065  2427.42  663.677  1921.39  1832.33  2503.84  712.024   70.679   25.249   77.165   11.734 -6.485817 27.84223 
1 1 1  -13   17   17 o  133.685   10.185  7400.09  1097.23  7610.63  2773.97  7361.04  1194.66  128.459   27.429  133.071   11.160 -4.612228 29.61245 
1 1 1  -13   17   18 o  145.406   10.701  8801.60  1254.54 10566.61  3095.57  8454.74  1372.29  150.985   26.201  142.042   12.011 8.943787 28.82240 
1 1 1  -13   17   19 o  169.486   11.055 12025.25  1512.97 13464.46  3331.28 11651.24  1698.22  169.720   24.915  166.025   12.694 3.695236 27.96238 
1 1 1  -13   17   20 o   52.365   17.331  1180.92  857.893  1647.80  2823.49  1133.44  900.465   70.283   29.440   51.860   17.760 18.42260 34.38263 
1 1 1  -13   17   21 o   37.281   15.456  257.784  766.801  4621.31  2506.45 -192.7863  805.418   91.098   29.598   33.161   14.778 57.93689 33.08229 
1 1 1  -13   17   22 o   66.242   28.228  1972.73  2670.36  5850.04  4718.57  145.819  3238.94   86.207   37.145   60.047   27.845 26.15973 46.42250 
1 1 1  -13   17   23 o   69.217   24.514  2837.39  1723.64   0.0000   0.0000  2837.39  1723.64  ?   ?    69.217   24.514 0.000000 24.51386 
1 1 1  -13   17   24 o   44.037   20.154  282.287  1619.59   0.0000   0.0000  282.287  1619.59  ?   ?    44.037   20.154 0.000000 20.15409 
1 1 1  -13   19    1 o  445.276   32.929 82458.66 11821.03   0.0000   0.0000 82458.66 11821.03  ?   ?   445.276   32.929 0.000000 32.92905 
1 1 1  -13   19    2 o  632.603   31.482 165413.91 16170.83 167209.59 22985.03 163653.91 22754.73  628.611   45.337  621.834   45.380 6.776611 64.14661 
1 1 1  -13   19    3 o  420.260   21.580 72532.68  7339.12 78556.49 10497.42 66773.05 10264.66  435.177   29.890  400.470   31.830 34.70660 43.66370 
1 1 1  -13   19    4 o  303.928   16.868 37834.14  4146.22 37151.75  5981.73 38465.18  5752.27  299.637   24.810  305.238   23.387 -5.601074 34.09510 
1 1 1  -13   19    5 o  172.586   11.989 12188.19  1669.58 12359.23  2510.59 12052.58  2235.56  172.934   18.150  171.047   16.293 1.886566 24.39075 
1 1 1  -13   19    6 o  139.244   11.178  7944.73  1253.11  7510.17  1947.83  8251.59  1636.81  134.276   18.345  141.499   14.449 -7.223373 23.35230 
1 1 1  -13   19    7 o  127.740   17.492  6796.36  1766.66  6796.36  1766.66   0.0000   0.0000  127.740   17.492  ?   ?  0.000000 17.49245 
1 1 1  -13   19    8 o   57.892   13.339  1421.82  614.140  747.917  1020.08  1804.96  769.158   49.679   18.658   65.196   14.860 -15.51788 23.85253 
1 1 1  -13   19    9 o  395.640   21.073 64576.77  6745.31 60219.98  9723.13 68619.01  9365.54  378.116   31.969  405.184   28.652 -27.06781 42.92958 
1 1 1  -13   19   10 o  457.063   19.208 85875.68  7128.38 83409.48 12725.53 87003.40  8605.18  442.523   35.721  458.199   23.205 -15.67624 42.59626 
1 1 1  -13   19   11 o  475.087   19.964 93041.87  7701.37 88722.77 13740.13 95020.31  9299.45  453.958   37.616  477.927   24.041 -23.96930 44.64175 
1 1 1  -13   19   12 o  315.769   13.817 40822.46  3542.62 39417.56  6550.93 41403.14  4211.58  305.777   26.652  317.052   16.416 -11.27487 31.30163 
1 1 1  -13   19   13 o  126.038   8.1758  6499.00  832.184  8432.82  1859.68  6014.81  930.554  142.212   16.406  121.056   9.5445 21.15598 18.98036 
1 1 1  -13   19   14 o  304.764   12.773 38129.36  3160.75 43244.95  5981.08 36147.20  3723.08  319.789   23.192  295.556   15.569 24.23273 27.93324 
1 1 1  -13   19   15 o  209.258   11.104 18037.02  1880.00 15547.49  3805.22 18840.92  2162.34  188.501   25.517  213.468   12.530 -24.96690 28.42791 
1 1 1  -13   19   16 o   94.905   10.122  3746.07  767.940  3713.34  2302.62  3750.16  814.576   90.431   28.255   94.808   10.773 -4.377151 30.23924 
1 1 1  -13   19   17 o  202.074   11.020 16962.32  1801.36 16711.04  3801.95 17035.06  2045.53  191.996   24.980  201.837   12.544 -9.841415 27.95212 
1 1 1  -13   19   18 o  124.304   11.087  6480.81  1107.24  3896.54  2945.37  6906.13  1194.89   89.800   32.019  128.153   11.609 -38.35316 34.05865 
1 1 1  -13   19   19 o  138.014   11.668  8056.52  1295.25  3709.96  3303.07  8846.34  1408.03   86.534   33.319  144.438   12.118 -57.90385 35.45442 
1 1 1  -13   19   20 f   64.618   16.472  1911.50  866.862  3210.04  2892.66  1783.38  908.621   79.544   31.025   62.239   17.337 17.30533 35.54030 
1 1 1  -13   19   21 o   45.907   16.917  845.977  830.904 -1007.1400  2562.44  1063.72  878.365   51.588   24.199   49.577   17.506 2.010777 29.86684 
1 1 1  -13   19   22 o   52.036   20.702  1143.17  1310.67   0.0000   0.0000  1143.17  1310.67  ?   ?    52.036   20.702 0.000000 20.70184 
1 1 1  -13   19   23 o   41.491   18.579  189.715  1289.56   0.0000   0.0000  189.715  1289.56  ?   ?    41.491   18.579 0.000000 18.57928 
1 1 1  -13   21    1 o  393.023   20.893 63488.93  6643.37   0.0000   0.0000 63488.93  6643.37  ?   ?   393.023   20.893 0.000000 20.89271 
1 1 1  -13   21    2 o  291.829   13.672 34720.77  3239.59 29046.39  5717.47 37403.97  3931.61  264.001   27.054  302.232   16.079 -38.23135 31.47173 
1 1 1  -13   21    3 o  425.630   17.806 74090.48  6153.59 65020.96 10725.99 78540.23  7513.00  393.636   33.889  437.568   21.146 -43.93250 39.94524 
1 1 1  -13   21    4 o  106.154   10.547  4632.16  897.020  4176.45  1555.23  4859.33  1098.07   99.207   19.998  108.459   12.710 -9.251549 23.69480 
1 1 1  -13   21    5 o  331.950   17.986 45235.35  4829.65 49649.04  7001.31 41228.32  6670.98  346.059   25.087  314.842   26.337 31.21671 36.37300 
1 1 1  -13   21    6 o  285.400   24.495 33846.53  5621.35 33846.53  5621.35   0.0000   0.0000  285.400   24.495  ?   ?  0.000000 24.49501 
1 1 1  -13   21    7 o  228.212   14.246 21352.80  2626.66 22018.90  3932.51 20816.26  3529.41  230.404   21.260  224.339   19.572 6.064484 28.89727 
1 1 1  -13   21    8 o  136.076   12.140  7612.78  1327.24  6411.56  2094.26  8419.07  1715.81  122.975   21.771  142.707   15.034 -19.73266 26.45692 
1 1 1  -13   21    9 o  239.085   14.953 23483.46  2888.20 21101.34  4319.42 25409.74  3884.23  224.437   24.079  247.751   19.465 -23.31430 30.96256 
1 1 1  -13   21   10 o  348.804   14.487 49814.00  4102.89 48962.33  7593.11 50165.20  4876.01  341.011   27.661  349.432   17.186 -8.420288 32.56514 
1 1 1  -13   21   11 o  262.134   10.803 28047.18  2299.26 31516.52  4526.69 26840.88  2669.23  275.278   20.397  255.828   12.891 19.44983 24.12958 
1 1 1  -13   21   12 o  423.039   17.228 73850.73  5917.67 73560.98 10799.38 73975.08  7074.30  412.710   32.489  421.906   20.650 -9.196167 38.49674 
1 1 1  -13   21   13 f  107.770   8.8763  4773.38  769.810  864.898  2026.54  5432.47  832.190   63.313   25.550  115.000   8.9835 -51.68755 27.08364 
1 1 1  -13   21   14 o  123.836   9.6528  6319.92  962.930  3828.25  2336.97  6829.46  1056.81   92.807   28.378  128.652   10.200 -35.84523 30.15581 
1 1 1  -13   21   15 o  121.859   9.7436  6141.06  956.022  5409.49  2912.49  6229.40  1012.10  107.061   31.438  122.618   10.260 -15.55685 33.06972 
1 1 1  -13   21   16 o   63.422   12.430  1728.53  617.189  1231.77  2572.39  1758.87  635.759   69.167   28.457   63.928   12.696 5.239517 31.16016 
1 1 1  -13   21   17 o  258.827   12.791 28098.15  2688.16 31582.87  5761.51 27128.47  3039.25  258.498   27.892  252.513   14.889 5.984589 31.61707 
1 1 1  -13   21   18 o  105.283   11.245  4688.60  946.385  4237.41  2818.64  4745.92  1004.71   90.957   31.408  105.674   11.918 -14.71725 33.59335 
1 1 1  -13   21   19 o  103.415   12.238  4595.92  1007.71  5549.50  2948.69  4469.82  1072.27   99.510   32.082  101.456   13.340 -1.945892 34.74488 
1 1 1  -13   21   20 o   59.807   18.722  1680.82  1010.37 -1732.1600  2881.67  2159.19  1078.85   52.222   24.843   67.166   18.955 -14.94405 31.24876 
1 1 1  -13   21   21 o   24.417   11.968 -1408.4139  805.084 -3618.0220  2831.54 -1214.0750  839.742   44.614   21.981   26.170   12.692 18.44395 25.38243 
1 1 1  -13   21   22 o   63.818   23.337  2381.21  1576.79   0.0000   0.0000  2381.21  1576.79  ?   ?    63.818   23.337 0.000000 23.33652 
1 1 1  -13   21   23 o   80.500   25.236  4575.75  1835.15   0.0000   0.0000  4575.75  1835.15  ?   ?    80.500   25.236 0.000000 25.23639 
1 1 1  -13   23    1 o  292.255   25.594 35537.91  6012.26   0.0000   0.0000 35537.91  6012.26  ?   ?   292.255   25.594 0.000000 25.59392 
1 1 1  -13   23    2 o  152.869   14.004  9616.91  1718.94   0.0000   0.0000  9616.91  1718.94  ?   ?   152.869   14.004 0.000000 14.00411 
1 1 1  -13   23    3 o  154.168   23.417 10009.66  2839.15   0.0000   0.0000 10009.66  2839.15  ?   ?   154.168   23.417 0.000000 23.41724 
1 1 1  -13   23    4 o  460.372   36.708 89958.95 13607.46   0.0000   0.0000 89958.95 13607.46  ?   ?   460.372   36.708 0.000000 36.70750 
1 1 1  -13   23    5 o  265.559   16.203 28970.03  3477.15 30670.26  5179.77 27575.35  4691.30  271.497   23.735  257.616   22.658 13.88068 32.81383 
1 1 1  -13   23    6 o   88.757   13.584  3290.88  947.854  4063.68  1707.81  2946.86  1139.46   97.370   22.106   83.254   17.416 14.11637 28.14237 
1 1 1  -13   23    7 o  110.965   13.511  5104.89  1192.25  6792.63  2102.94  4305.45  1447.33  126.696   21.190  100.853   18.350 25.84315 28.03154 
1 1 1  -13   23    8 f  156.369   13.120 10063.41  1650.38  9535.89  2678.63 10386.20  2095.32  150.162   22.676  158.256   16.551 -8.093765 28.07350 
1 1 1  -13   23    9 o  117.513   13.273  5719.96  1244.24  5651.11  2103.68  5757.00  1543.08  114.639   23.392  117.238   16.680 -2.599190 28.73023 
1 1 1  -13   23   10 o  236.783   15.145 23116.74  2896.45 24143.81  4440.39 22356.08  3821.35  239.628   23.108  231.347   20.557 8.281281 30.92858 
1 1 1  -13   23   11 o  167.392   9.1943 11468.76  1244.87 11830.40  2798.48 11379.55  1389.97  167.229   21.078  166.561   10.329 0.6679993 23.47258 
1 1 1  -13   23   12 o  183.342   9.9069 13792.97  1469.35 11787.15  3320.04 14281.54  1638.55  164.464   25.703  186.370   10.875 -21.90683 27.90914 
1 1 1  -13   23   13 o  203.377   10.713 17041.81  1762.92 18297.39  3861.75 16711.27  1981.43  205.221   23.605  200.955   12.201 4.266846 26.57197 
1 1 1  -13   23   14 f   67.699   10.560  1931.63  561.526  3241.49  2247.73  1844.44  579.913   85.335   28.044   65.968   11.229 19.36634 30.20833 
1 1 1  -13   23   15 o  120.782   9.6805  6051.48  941.394  8693.70  3275.92  5813.64  982.850  134.102   30.742  118.191   10.346 15.91095 32.43648 
1 1 1  -13   23   16 o  110.650   9.7397  5102.49  866.141  6594.02  2925.29  4959.16  906.800  114.762   30.765  108.882   10.383 5.879951 32.46978 
1 1 1  -13   23   17 o  204.887   11.466 17640.75  1899.81 24503.61  4938.90 16448.95  2058.17  224.777   27.643  196.911   12.945 27.86592 30.52427 
1 1 1  -13   23   18 o   57.568   16.494  1497.45  810.560 -269.2379  3583.30  1592.72  832.129   65.112   29.865   59.260   16.620 5.852165 34.17829 
1 1 1  -13   23   19 o   55.387   16.576  1406.29  803.549  4867.72  3264.80  1183.08  829.053   89.322   33.412   51.557   17.036 37.76538 37.50438 
1 1 1  -13   23   20 o   32.696   14.878 -332.4313  866.483 -2762.6870  3401.21 -163.7568  896.049   51.645   25.159   34.705   15.518 16.94036 29.55939 
1 1 1  -13   23   21 o   75.242   26.315  3588.84  1981.66   0.0000   0.0000  3588.84  1981.66  ?   ?    75.242   26.315 0.000000 26.31530 
1 1 1  -13   23   22 o   48.830   21.114  1054.37  1535.36   0.0000   0.0000  1054.37  1535.36  ?   ?    48.830   21.114 0.000000 21.11351 
1 1 1  -13   25    1 o  460.918   24.693 88229.45  9207.86   0.0000   0.0000 88229.45  9207.86  ?   ?   460.918   24.693 0.000000 24.69328 
1 1 1  -13   25    2 f  213.519   23.893 19086.51  4071.40   0.0000   0.0000 19086.51  4071.40  ?   ?   213.519   23.893 0.000000 23.89346 
1 1 1  -13   25    3 o  340.387   20.915 47928.98  5752.48 47658.90  8207.24 48189.78  8065.08  335.993   30.413  338.184   29.671 -2.190674 42.48903 
1 1 1  -13   25    4 o  302.721   19.835 37893.23  4848.48 35409.35  6746.54 40546.39  6972.62  289.567   29.087  310.471   27.959 -20.90482 40.34575 
1 1 1  -13   25    5 o  273.803   29.397 31771.63  6433.19   0.0000   0.0000 31771.63  6433.19  ?   ?   273.803   29.397 0.000000 29.39687 
1 1 1  -13   25    8 o  195.361   19.495 15940.75  3051.09   0.0000   0.0000 15940.75  3051.09  ?   ?   195.361   19.495 0.000000 19.49469 
1 1 1  -13   25    9 f  277.211   23.361 32416.62  5209.26   0.0000   0.0000 32416.62  5209.26  ?   ?   277.211   23.361 0.000000 23.36112 
1 1 1  -13   25   10 o   63.600   19.746  1687.49  1126.62   0.0000   0.0000  1687.49  1126.62  ?   ?    63.600   19.746 0.000000 19.74644 
1 1 1  -13   25   11 f   81.659   8.6344  2755.95  563.813   0.0000   0.0000  2755.95  563.813  ?   ?    81.659   8.6344 0.000000 8.634384 
1 1 1  -13   25   12 o   81.788   9.1761  2776.17  598.863   0.0000   0.0000  2776.17  598.863  ?   ?    81.788   9.1761 0.000000 9.176089 
1 1 1  -13   25   13 o  189.618   10.857 14892.92  1664.58 13505.93  4128.80 15162.12  1818.95  169.102   31.220  190.993   11.787 -21.89096 33.37130 
1 1 1  -13   25   14 o  258.207   12.025 27746.74  2521.15 32502.54  5628.31 26552.95  2819.88  266.497   26.356  251.231   13.877 15.26607 29.78609 
1 1 1  -13   25   15 o  130.918   9.7006  7130.66  1023.85  7529.51  3092.97  7081.58  1085.02  122.293   31.082  130.250   10.345 -7.957291 32.75866 
1 1 1  -13   25   16 o   60.408   13.132  1599.32  625.722  1012.22  2982.77  1626.34  639.962   68.479   29.519   60.877   13.317 7.602463 32.38422 
1 1 1  -13   25   17 o   99.771   11.348  4245.23  902.984  531.196  3567.49  4499.46  933.378   68.246   30.704  102.733   11.381 -34.48705 32.74563 
1 1 1  -13   25   18 o   26.430   12.446 -661.1061  689.408 -1456.7350  3325.95 -625.3867  704.713   57.098   27.025   27.084   12.700 30.01389 29.86000 
1 1 1  -13   25   19 o   70.082   16.251  2314.90  906.773 -2439.4541  4316.93  2534.35  927.464   58.183   28.344   73.563   15.984 -15.38039 32.54007 
1 1 1  -13   25   20 o   53.358   21.946  1236.54  1529.48   0.0000   0.0000  1236.54  1529.48  ?   ?    53.358   21.946 0.000000 21.94632 
1 1 1  -13   25   21 o   53.607   23.489  1463.71  1954.10   0.0000   0.0000  1463.71  1954.10  ?   ?    53.607   23.489 0.000000 23.48881 
1 1 1  -13   27    1 o  506.603   27.531 107794.80 11282.37   0.0000   0.0000 107794.80 11282.37  ?   ?   506.603   27.531 0.000000 27.53141 
1 1 1  -13   27    2 o  476.693   25.746 95132.59  9928.26   0.0000   0.0000 95132.59  9928.26  ?   ?   476.693   25.746 0.000000 25.74600 
1 1 1  -13   27    3 o  193.327   14.376 15395.84  2240.49 15426.49  4301.94 15384.43  2624.53  189.525   28.867  192.718   16.944 -3.193558 33.47258 
1 1 1  -13   27    4 o  369.846   17.856 56369.73  5362.18 58215.46  9599.32 55532.57  6464.84  368.422   32.419  365.115   21.908 3.307434 39.12748 
1 1 1  -13   27    5 o  175.658   14.221 12736.37  2010.91 17125.81  3752.98 10968.63  2381.66  201.355   23.391  161.979   18.437 39.37566 29.78334 
1 1 1  -13   27    6 o  344.257   17.432 49062.23  4856.79 50432.43  8636.32 48428.46  5873.58  341.775   31.474  340.382   21.360 1.392456 38.03811 
1 1 1  -13   27    7 o  142.219   15.601  8436.36  1772.01 13723.98  3137.68  5960.10  2147.22  179.859   21.940  117.196   23.384 62.66370 32.06511 
1 1 1  -13   27    8 o  148.883   15.850  9271.66  1886.62  8964.23  3329.45  9417.06  2289.70  141.456   29.922  149.005   19.384 -7.548416 35.65205 
1 1 1  -13   27    9 f   87.549   30.779  3146.56  2712.61  3146.56  2712.61   0.0000   0.0000   87.549   30.779  ?   ?  0.000000 30.77891 
1 1 1  -13   27   10 o  299.328   32.565 41075.83  7787.06 41075.83  7787.06   0.0000   0.0000  299.328   32.565  ?   ?  0.000000 32.56509 
1 1 1  -13   27   11 o  191.178   13.618 15283.59  2100.12 13229.37  4424.27 15881.08  2386.07  165.911   33.985  194.185   15.256 -28.27399 37.25214 
1 1 1  -13   27   12 o  119.067   9.9138  5884.00  949.737 17251.64  3049.96  4663.37  999.427  199.705   19.040  105.374   11.889 94.33176 22.44665 
1 1 1  -13   27   13 o   63.401   12.855  1738.34  639.133  2104.77  2652.96  1715.77  658.529   75.373   29.621   62.869   13.315 12.50406 32.47583 
1 1 1  -13   27   14 o  189.551   13.944 15279.31  2131.07 14696.48  4531.59 15444.80  2414.75  168.309   34.323  189.343   15.853 -21.03383 37.80665 
1 1 1  -13   27   15 o  151.579   14.250  9890.71  1733.28   0.0000   0.0000  9890.71  1733.28  ?   ?   151.579   14.250 0.000000 14.25015 
1 1 1  -13   27   16 o   90.943   13.863  3623.82  991.289   0.0000   0.0000  3623.82  991.289  ?   ?    90.943   13.863 0.000000 13.86268 
1 1 1  -13   27   17 o   38.471   15.124  449.195  691.849   0.0000   0.0000  449.195  691.849  ?   ?    38.471   15.124 0.000000 15.12401 
1 1 1  -13   27   18 o   49.846   17.641  1105.85  892.510   0.0000   0.0000  1105.85  892.510  ?   ?    49.846   17.641 0.000000 17.64134 
1 1 1  -13   29    1 o  314.069   20.632 41270.60  5232.06   0.0000   0.0000 41270.60  5232.06  ?   ?   314.069   20.632 0.000000 20.63153 
1 1 1  -13   29    2 o  331.969   21.281 46217.29  5705.97   0.0000   0.0000 46217.29  5705.97  ?   ?   331.969   21.281 0.000000 21.28078 
1 1 1  -13   29    3 o  256.373   18.988 27477.96  3924.64   0.0000   0.0000 27477.96  3924.64  ?   ?   256.373   18.988 0.000000 18.98835 
1 1 1  -13   29    4 o  125.353   16.898  6623.23  1676.04  9692.95  3531.11  5730.52  1904.22  147.188   30.546  115.270   21.124 31.91851 37.13889 
1 1 1  -13   29    5 o  184.025   15.464 14111.62  2289.28 19565.43  4460.55 12161.37  2667.37  212.153   26.470  169.340   19.771 42.81221 33.03898 
1 1 1  -13   29    6 o  115.294   17.162  5654.01  1557.59  4599.24  3378.02  5938.82  1755.33  102.214   34.402  117.642   19.026 -15.42805 39.31267 
1 1 1  -13   29    7 o   43.129   17.464  360.809  950.191  3908.18  2851.63 -82.2420  1007.78   94.322   31.609   39.516   17.096 54.80565 35.93597 
1 1 1  -13   29    8 o   67.696   20.089  1987.81  1183.96  6316.38  2813.72  1056.52  1305.12  116.523   29.663   56.130   21.100 60.39327 36.40143 
1 1 1  -13   29    9 o  309.564   20.948 41413.54  5234.35 40388.43  8309.40 42087.92  6739.64  289.333   36.159  305.616   27.452 -16.28265 45.39975 
1 1 1  -13   29   10 f  147.157   16.345  9256.28  1919.96 12677.44  3752.35  8042.95  2234.64  164.518   29.158  134.851   21.100 29.66628 35.99144 
1 1 1  -13   29   11 o  154.445   17.830 10344.81  2194.83  7953.90  4421.85 11126.45  2528.27  121.519   39.299  158.957   20.034 -37.43876 44.11032 
1 1 1  -13   29   12 o   85.447   9.0484  3045.95  618.228  1610.07  3492.12  3092.41  628.150   76.605   32.448   86.083   9.1260 -9.478287 33.70708 
1 1 1  -13   29   13 o  129.285   10.116  6990.18  1053.50  4091.49  4141.10  7190.77  1089.34   91.536   36.670  131.060   10.320 -39.52390 38.09455 
1 1 1  -13   29   14 f   72.025   10.836  2218.08  614.059  3515.77  3634.09  2179.94  623.018   84.897   34.231   71.297   11.125 13.59982 35.99356 
1 1 1  -13   29   15 o   72.301   11.759  2268.16  666.617  4229.83  3871.56  2208.23  676.723   86.650   35.193   71.173   12.146 15.47692 37.23034 
1 1 1  -13   29   16 o   27.693   12.071 -42.0451  510.026  1997.58  4333.81 -70.6904  513.594   73.514   33.382   27.424   12.029 46.08930 35.48344 
1 1 1  -13   29   17 o   58.118   20.710  1638.09  1231.98  1210.17  4937.39  1666.51  1272.22   68.413   32.538   58.542   21.025 9.871197 38.73969 
1 1 1  -13   29   18 o   59.408   21.555  1886.33  1341.46   0.0000   0.0000  1886.33  1341.46  ?   ?    59.408   21.555 0.000000 21.55502 
1 1 1  -13   29   19 o   49.172   21.075  1066.52  1504.09   0.0000   0.0000  1066.52  1504.09  ?   ?    49.172   21.075 0.000000 21.07509 
1 1 1  -13   31    1 o  116.258   22.981  5961.49  2092.42   0.0000   0.0000  5961.49  2092.42  ?   ?   116.258   22.981 0.000000 22.98068 
1 1 1  -13   31    2 o  185.368   19.412 14648.72  2878.35   0.0000   0.0000 14648.72  2878.35  ?   ?   185.368   19.412 0.000000 19.41151 
1 1 1  -13   31    3 o   94.732   23.764  4015.93  1824.79   0.0000   0.0000  4015.93  1824.79  ?   ?    94.732   23.764 0.000000 23.76395 
1 1 1  -13   31    4 o   58.489   21.594  1211.25  1354.97 -2918.8469  3477.18  1950.67  1471.27   59.635   28.042   68.374   22.699 -8.738449 36.07821 
1 1 1  -13   31    5 o   65.408   22.682  1721.53  1470.71  680.572  3570.76  1934.20  1613.97   75.433   32.405   68.829   23.767 6.604576 40.18664 
1 1 1  -13   31    6 o  267.750   18.510 30598.77  3999.51 28279.71  7656.72 31468.96  4690.24  236.180   41.438  269.175   21.643 -32.99458 46.74917 
1 1 1  -13   31    7 o  114.362   20.209  5770.38  1807.95  1118.04  4217.95  6817.51  2001.09   81.284   35.071  124.378   20.531 -43.09351 40.63860 
1 1 1  -13   31    8 o  154.214   17.905 10278.42  2200.29 13192.96  4952.51  9561.66  2455.99  159.142   38.700  146.941   21.198 12.20052 44.12543 
1 1 1  -13   31    9 o   86.815   22.966  3474.73  1643.88  391.453  4081.04  4071.90  1796.04   75.508   33.478   93.737   23.610 -18.22881 40.96617 
1 1 1  -13   31   10 o  228.337   19.861 23013.23  3645.54 26088.70  6778.29 21761.59  4324.19  220.074   39.378  217.108   24.985 2.965424 46.63612 
1 1 1  -13   31   11 o  162.931   20.018 11903.25  2592.56  7562.19  5575.11 13101.00  2928.46  111.301   43.166  169.614   21.766 -58.31267 48.34321 
1 1 1  -13   31   12 o   23.672   10.275 -41.9920  366.494  4538.31  4117.30 -78.5731  367.955   92.368   36.709   23.166   10.170 69.20202 38.09203 
1 1 1  -13   31   13 f   64.444   10.930  1791.12  551.502  1268.61  4580.88  1798.80  555.543   75.917   34.414   64.565   10.991 11.35124 36.12666 
1 1 1  -13   31   14 o   61.104   22.860  1648.26  1528.49  1885.71  4793.41  1621.39  1612.68   76.145   34.782   61.227   23.352 14.91761 41.89361 
1 1 1  -13   31   15 o   59.193   21.510  1642.15  1336.61  3929.97  5036.24  1468.80  1386.33   79.659   36.100   57.372   21.706 22.28744 42.12309 
1 1 1  -13   31   16 o   98.320   11.775  4268.60  921.323  3657.46  5675.91  4285.14  933.705   73.513   34.941   98.411   11.929 -24.89804 36.92081 
1 1 1  -13   31   17 o   55.688   22.727  1569.60  1624.45   0.0000   0.0000  1569.60  1624.45  ?   ?    55.688   22.727 0.000000 22.72739 
1 1 1  -13   31   18 o   48.287   20.368  1092.49  1366.67   0.0000   0.0000  1092.49  1366.67  ?   ?    48.287   20.368 0.000000 20.36763 
1 1 1  -13   33    1 o  113.578   23.836  5848.83  2128.16   0.0000   0.0000  5848.83  2128.16  ?   ?   113.578   23.836 0.000000 23.83640 
1 1 1  -13   33    2 o  158.456   22.393 11127.58  2800.83   0.0000   0.0000 11127.58  2800.83  ?   ?   158.456   22.393 0.000000 22.39292 
1 1 1  -13   33    3 o  115.620   24.301  6103.45  2208.96   0.0000   0.0000  6103.45  2208.96  ?   ?   115.620   24.301 0.000000 24.30131 
1 1 1  -13   33    4 o  101.122   25.959  4772.75  2142.25   0.0000   0.0000  4772.75  2142.25  ?   ?   101.122   25.959 0.000000 25.95858 
1 1 1  -13   33    5 o   65.454   23.796  1696.04  1636.01  3676.96  4503.20  1394.83  1755.99   94.331   38.081   63.287   24.313 31.04427 45.18010 
1 1 1  -13   33    6 o  185.853   19.568 15146.18  2908.60 21782.98  6421.33 13432.99  3262.48  201.427   40.663  171.795   24.047 29.63188 47.24139 
1 1 1  -13   33    7 o   92.882   24.203  4052.13  1843.73  6837.39  4861.79  3584.29  1992.57  111.110   40.925   86.962   26.119 24.14747 48.54962 
1 1 1  -13   33    8 o  128.427   22.067  7550.56  2218.15 15813.61  5693.78  6072.10  2408.43  164.757   42.334  111.906   26.849 52.85119 50.13050 
1 1 1  -13   33    9 o  253.432   20.514 28860.38  4185.09 35234.40  8646.79 26910.38  4782.61  239.480   46.141  239.273   24.985 0.2066956 52.47183 
1 1 1  -13   33   10 o  270.218   24.414 34580.76  5298.83 29973.57  9797.63 36485.44  6299.63  186.288   58.297  269.572   29.250 -83.28380 65.22320 
1 1 1  -13   33   11 f   45.234   19.940 -56.5962  1427.53  123.888  5222.71 -71.1690  1484.05   74.950   34.958   45.919   20.282 29.03082 40.41539 
1 1 1  -13   33   12 o  171.952   23.005 14367.10  3131.43 10763.70  7481.77 15132.39  3447.95  106.278   46.280  173.858   25.156 -67.57995 52.67463 
1 1 1  -13   33   13 o  148.628   10.942  9460.93  1311.24 -1264.4380  7119.94  9837.47  1334.06   72.466   35.534  151.592   10.911 -79.12563 37.17184 
1 1 1  -13   33   14 o  112.755   10.785  5504.98  975.400 13565.71  7010.33  5345.85  984.981  101.771   44.544  110.909   11.086 -9.138527 45.90242 
1 1 1  -13   33   15 o   32.463   15.835 -1825.3600  1359.90 -7812.0850  6448.39 -1546.7120  1391.18   55.228   28.011   34.069   16.477 21.15930 32.49809 
1 1 1  -13   33   16 o   45.320   20.592  271.114  1652.17   0.0000   0.0000  271.114  1652.17  ?   ?    45.320   20.592 0.000000 20.59192 
1 1 1  -13   35    1 o  194.711   24.276 17371.91  3754.68   0.0000   0.0000 17371.91  3754.68  ?   ?   194.711   24.276 0.000000 24.27631 
1 1 1  -13   35    2 o   59.971   24.940  801.951  2005.52   0.0000   0.0000  801.951  2005.52  ?   ?    59.971   24.940 0.000000 24.94017 
1 1 1  -13   35    3 o  103.620   28.939  5311.86  2528.33   0.0000   0.0000  5311.86  2528.33  ?   ?   103.620   28.939 0.000000 28.93909 
1 1 1  -13   35    4 o  138.931   27.053  9281.87  2941.98   0.0000   0.0000  9281.87  2941.98  ?   ?   138.931   27.053 0.000000 27.05275 
1 1 1  -13   35    5 o  158.947   26.636 12113.50  3316.05   0.0000   0.0000 12113.50  3316.05  ?   ?   158.947   26.636 0.000000 26.63629 
1 1 1  -13   35    6 o  195.961   24.927 18145.82  3876.44 25886.76  8274.45 15969.14  4387.73  191.582   51.904  176.363   31.811 15.21931 60.87618 
1 1 1  -13   35    7 o   61.323   24.659  1260.87  1880.28 -1092.5470  5934.57  1523.48  1982.42   76.776   36.265   64.321   25.501 12.45470 44.33308 
1 1 1  -13   35    8 o   86.531   26.620  3797.81  2052.77  6847.73  6498.15  3459.71  2163.57  100.815   43.514   82.628   27.531 18.18679 51.49198 
1 1 1  -13   35    9 o   94.795   26.222  4636.52  2086.29  7033.27  7176.90  4415.29  2180.46   97.757   43.799   91.718   27.272 6.038956 51.59558 
1 1 1  -13   35   10 o  127.027   25.278  8229.29  2515.50  5458.01  8024.15  8531.32  2649.04   89.553   42.260  128.289   26.314 -38.73554 49.78256 
1 1 1  -13   35   11 o   57.173   23.874  1120.19  1848.43  1660.37  7303.01  1083.22  1910.65   77.397   37.510   57.323   24.125 20.07405 44.59864 
1 1 1  -13   35   12 o   61.095   11.966  1669.45  572.348  4220.20  7736.63  1655.41  573.921   77.658   37.856   60.795   12.052 16.86352 39.72803 
1 1 1  -13   35   13 o   37.133   12.097  602.819  418.548 -6825.7251  8056.01  622.925  419.114   60.753   30.864   37.618   12.092 23.13460 33.14822 
1 1 1  -13   35   14 o  144.194   28.450 13363.76  3212.62 21874.01 10308.74 12448.34  3380.99   81.087   40.304  131.700   31.945 -50.61275 51.42792 
1 1 1  -13   35   15 o   50.022   22.682  985.962  1991.32   0.0000   0.0000  985.962  1991.32  ?   ?    50.022   22.682 0.000000 22.68158 
1 1 1  -13   37    1 o   79.832   30.620  3020.18  2782.45   0.0000   0.0000  3020.18  2782.45  ?   ?    79.832   30.620 0.000000 30.61982 
1 1 1  -13   37    2 o   63.697   28.229  403.107  2898.41   0.0000   0.0000  403.107  2898.41  ?   ?    63.697   28.229 0.000000 28.22883 
1 1 1  -13   37    3 o   98.374   35.022  5562.25  3522.37   0.0000   0.0000  5562.25  3522.37  ?   ?    98.374   35.022 0.000000 35.02167 
1 1 1  -13   37    4 o  101.240   34.866  6010.10  3472.16   0.0000   0.0000  6010.10  3472.16  ?   ?   101.240   34.866 0.000000 34.86553 
1 1 1  -13   37    5 o  164.970   30.497 14467.45  3934.61   0.0000   0.0000 14467.45  3934.61  ?   ?   164.970   30.497 0.000000 30.49708 
1 1 1  -13   37    6 o   51.352   23.238 -283.2286  2078.26 -5634.5342  7975.83  106.574  2152.62   72.309   35.857   54.303   24.182 18.00694 43.24924 
1 1 1  -13   37    7 o   67.084   27.204  1950.77  2309.32  7197.50  8312.72  1511.98  2403.95   92.787   43.544   64.411   27.082 28.37612 51.27888 
1 1 1  -13   37    8 o   87.053   30.581  4533.49  2677.59 15929.11 10187.93  3687.94  2775.15  102.880   48.256   79.756   30.582 23.12391 57.13096 
1 1 1  -13   37    9 o   93.819   30.021  5417.63  2585.68  2638.74  9141.82  5659.27  2695.75   77.925   38.596   95.083   30.677 -17.15832 49.30271 
1 1 1  -13   37   10 o   71.695   28.580  3104.34  2502.52  8042.48  9705.97  2752.68  2590.09   79.876   39.599   69.120   28.510 10.75536 48.79440 
1 1 1  -13   37   11 o   47.760   21.410  319.932  1717.58  6225.38 10159.01  146.160  1742.67   72.398   36.538   46.915   21.250 25.48289 42.26803 
1 1 1  -13   37   12 o   48.028   22.300   99.124  2087.18 10908.50 10632.57 -334.0988  2128.60   69.943   35.526   46.379   21.849 23.56397 41.70683 
1 1 1  -13   39    1 o   77.915   31.956  3318.61  3231.41   0.0000   0.0000  3318.61  3231.41  ?   ?    77.915   31.956 0.000000 31.95587 
1 1 1  -13   39    2 o   95.055   35.772  6170.91  3753.44   0.0000   0.0000  6170.91  3753.44  ?   ?    95.055   35.772 0.000000 35.77232 
1 1 1  -13   39    3 o   61.473   27.941  486.409  3044.96   0.0000   0.0000  486.409  3044.96  ?   ?    61.473   27.941 0.000000 27.94064 
1 1 1  -13   39    4 o  200.382   35.840 25391.73  5617.25   0.0000   0.0000 25391.73  5617.25  ?   ?   200.382   35.840 0.000000 35.84018 
1 1 1  -13   39    5 o   93.512   35.118  6386.05  3613.63   0.0000   0.0000  6386.05  3613.63  ?   ?    93.512   35.118 0.000000 35.11765 
1 1 1  -13   39    6 f   52.515   24.587 -521.8440  2624.32   0.0000   0.0000 -521.8440  2624.32  ?   ?    52.515   24.587 0.000000 24.58742 
1 1 1  -13   39    7 o  124.692   36.003 11566.62  3848.67 22895.33 14949.22 10762.45  3982.93   84.474   42.824  115.738   37.283 -31.26375 56.77956 
1 1 1  -13   39    8 o   66.702   27.627  2734.34  2446.66 -4056.3040 11870.98  3035.60  2500.34   66.200   33.941   68.757   28.144 -2.557137 44.09165 
1 1 1  -13   39    9 o   47.320   22.555 -693.7359  2399.62  7429.87 11948.48 -1035.1550  2449.53   68.542   35.061   46.469   22.320 22.07351 41.56258 
1 1 1  -13   39   10 o   38.284   18.925 -2613.0520  2159.10  5683.03 12314.33 -2876.1750  2193.08   63.263   32.535   37.916   18.802 25.34718 37.57733 
1 1 1  -13   41    1 o   65.423   30.424  2106.41  3909.51   0.0000   0.0000  2106.41  3909.51  ?   ?    65.423   30.424 0.000000 30.42408 
1 1 1  -13   41    2 o   98.625   39.124 10384.38  4668.98   0.0000   0.0000 10384.38  4668.98  ?   ?    98.625   39.124 0.000000 39.12434 
1 1 1  -13   41    3 o   77.085   34.340  5710.26  4344.94   0.0000   0.0000  5710.26  4344.94  ?   ?    77.085   34.340 0.000000 34.34007 
1 1 1  -13   41    4 o   78.041   34.438  6248.80  4268.92   0.0000   0.0000  6248.80  4268.92  ?   ?    78.041   34.438 0.000000 34.43828 
1 1 1  -13   41    5 o   56.669   26.914  774.500  3355.35   0.0000   0.0000  774.500  3355.35  ?   ?    56.669   26.914 0.000000 26.91445 
1 1 1  -13   41    6 f   66.639   30.574  4025.22  3759.18   0.0000   0.0000  4025.22  3759.18  ?   ?    66.639   30.574 0.000000 30.57401 
1 1 1  -12    0    4 o   90.581   7.0650  3392.70  512.353  3963.06  722.251  2814.94  726.925   97.454   9.3235   80.750   11.830 -0.000000 0.000000 
1 1 1  -12    0    5 o  1163.02   82.900 579065.69 77371.17 579065.69 77371.17   0.0000   0.0000  1163.02   82.900  1163.02   82.900 0.000000 0.000000 
1 1 1  -12    0    6 o  424.794   21.005 73936.55  7204.55 74621.25 10178.74 73249.15 10198.84  424.797   29.849  420.720   30.213 -0.000000 0.000000 
1 1 1  -12    0    7 o  354.283   17.891 51404.57  5116.71 45153.17  7248.94 57611.95  7223.38  329.660   27.523  374.031   24.011 0.000000 0.000000 
1 1 1  -12    0    8 o  387.127   27.626 61911.36  8582.23   0.0000   0.0000 61911.36  8582.23  387.127   27.626  387.127   27.626 0.000000 0.000000 
1 1 1  -12    0    9 o  984.536   47.294 398832.09 37608.24 427133.09 53201.87 370564.69 53170.30  1013.21   65.290  940.839   70.512 0.000000 0.000000 
1 1 1  -12    0   10 f  868.966   41.912 310502.31 29414.88 301399.59 41582.02 319619.91 41615.86  849.939   60.974  876.313   59.104 -0.000000 0.000000 
1 1 1  -12    0   11 o  302.151   15.467 37398.05  3772.00 40784.10  5359.18 34073.91  5309.98  314.483   21.209  286.564   23.169 0.000000 0.000000 
1 1 1  -12    0   12 o   48.928   17.430  1283.78  631.444   0.0000   0.0000  1283.78  631.444   48.928   17.430   48.928   17.430 -0.000000 0.000000 
1 1 1  -12    0   13 o  301.311   15.719 37249.57  3821.92 34799.64  5439.21 39638.82  5371.44  289.162   23.524  309.515   21.615 0.000000 0.000000 
1 1 1  -12    0   14 o  176.504   10.807 12806.45  1535.51  9919.97  2206.38 15517.55  2138.30  152.771   18.510  193.850   13.744 0.000000 0.000000 
1 1 1  -12    0   15 o  308.867   16.014 39175.40  3991.50 40435.46  5695.77 37959.42  5595.25  312.065   22.757  302.092   23.122 0.000000 0.000000 
1 1 1  -12    0   16 o  429.525   21.389 76004.08  7417.51 80400.27 10549.90 71706.43 10431.00  438.903   29.923  413.521   31.486 0.000000 0.000000 
1 1 1  -12    0   17 o  123.090   9.8085  6278.61  965.992  6508.76  1452.38  6096.04  1293.60  123.702   15.055  120.037   13.738 0.000000 0.000000 
1 1 1  -12    0   18 o  149.950   10.442  9284.64  1257.18  9066.75  1693.10  9552.41  1876.91  146.970   14.513  150.538   15.750 -0.000000 0.000000 
1 1 1  -12    0   19 o  119.679   10.939  5983.73  1042.62  5110.79  1280.43  7701.45  1796.13  108.656   15.408  133.830   17.330 -0.000000 0.000000 
1 1 1  -12    0   20 o  256.801   14.330 27314.63  2966.83 25040.98  4025.63 30017.73  4389.38  243.051   20.746  266.653   20.554 -0.000000 0.000000 
1 1 1  -12    0   21 o   90.547   13.238  3572.08  912.436  2539.41  1064.53  6431.23  1771.33   70.280   21.367  119.885   19.828 -0.000000 0.000000 
1 1 1  -12    0   22 o   69.329   16.848  2302.59  821.883  2567.33  932.475  1380.90  1739.90   72.839   18.226   48.575   27.834 -0.000000 0.000000 
1 1 1  -12    0   23 o   30.742   17.850  500.462  730.482  234.432  799.744  1839.84  1794.47   27.903   17.388   53.292   29.113 -0.000000 0.000000 
1 1 1  -12    0   24 o   42.635   21.145  1157.81  883.364  1281.68  986.209  655.079  1986.76   44.675   22.311   42.647   26.928 -0.000000 0.000000 
1 1 1  -12    0   25 o   24.887   15.990   78.233  737.573   78.233  737.573   0.0000   0.0000   24.887   15.990   24.887   15.990 -0.000000 0.000000 
1 1 1  -12    0   26 o  104.911   16.406  5081.81  1295.57  5081.81  1295.57   0.0000   0.0000  104.911   16.406  104.911   16.406 -0.000000 0.000000 
1 1 1  -12    2    2 f  616.962   43.668 160805.70 21734.44 160805.70 21734.44   0.0000   0.0000  616.962   43.668  ?   ?  0.000000 43.66835 
1 1 1  -12    2    3 o  120.245   6.1922  5889.56  602.519  6133.63  1061.18  5773.44  731.943  122.317   10.795  118.948   7.6185 3.369316 13.21302 
1 1 1  -12    2    4 o  832.652   40.535 288440.50 27405.36 281678.41 38773.38 295191.19 38740.70  809.895   59.375  830.331   57.822 -20.43671 82.87845 
1 1 1  -12    2    5 o  802.180   31.458 264244.81 20489.69 253952.50 35487.89 269391.59 25095.10  774.690   56.814  807.761   38.262 -33.07080 68.49658 
1 1 1  -12    2    6 o  205.439   7.8105 17143.96  1302.87 17765.04  1835.99 16513.94  1849.16  208.791   10.867  201.247   11.363 7.543823 15.72296 
1 1 1  -12    2    7 o  247.947   9.0855 24974.41  1829.13 24887.36  2581.36 25062.21  2592.24  247.100   12.911  247.968   12.920 -0.8680878 18.26472 
1 1 1  -12    2    8 o  736.134   35.302 221824.41 21100.55 219041.00 29830.71 224611.50 29850.68  726.606   50.883  736.024   50.249 -9.417847 71.51276 
1 1 1  -12    2    9 o  1093.36   36.819 489583.00 32686.93 481967.50 46221.17 497201.81 46231.42  1079.91   52.713  1097.14   51.896 -17.23206 73.97182 
1 1 1  -12    2   10 o  436.846   15.042 77608.64  5335.58 75485.63  7538.72 79739.48  7552.60  429.893   21.667  442.440   21.023 -12.54749 30.19008 
1 1 1  -12    2   11 o  511.949   17.432 106771.40  7246.40 106184.30 10242.07 107359.90 10253.85  509.652   24.750  512.481   24.642 -2.829010 34.92529 
1 1 1  -12    2   12 o  198.483   11.467 16084.22  1840.23 15528.37  2601.98 16640.49  2602.97  194.395   16.645  201.366   16.053 -6.970428 23.12521 
1 1 1  -12    2   13 o  208.010   8.1720 17593.35  1380.22 18241.38  1954.13 16948.25  1949.73  211.343   11.430  203.646   11.842 7.697571 16.45864 
1 1 1  -12    2   14 o  424.750   14.804 73679.34  5105.61 74772.60  7216.50 72583.71  7224.34  426.659   20.831  419.747   21.266 6.911133 29.76881 
1 1 1  -12    2   15 o  245.112   9.3053 24459.40  1851.97 23794.54  2614.44 25128.99  2623.75  241.029   13.412  247.767   13.088 -6.737671 18.73992 
1 1 1  -12    2   16 o  573.252   19.702 135426.00  9170.74 134587.20 12964.82 136266.00 12973.95  567.099   28.156  570.721   27.997 -3.622009 39.70616 
1 1 1  -12    2   17 o  282.602   10.715 32599.41  2458.75 34407.66  3473.35 30783.10  3481.07  289.251   14.839  273.324   15.752 15.92719 21.64072 
1 1 1  -12    2   18 o  170.377   7.7758 11828.84  1075.70 12225.24  1517.60 11428.57  1524.97  172.566   10.887  166.747   11.331 5.819504 15.71309 
1 1 1  -12    2   19 o  196.423   8.6081 15770.87  1372.90 14703.64  1916.84 16894.99  1967.27  188.529   12.594  202.305   12.030 -13.77600 17.41695 
1 1 1  -12    2   20 o  250.130   9.7262 25734.29  1975.37 26082.22  2811.72 25395.17  2775.82  249.767   13.920  246.442   13.929 3.324997 19.69199 
1 1 1  -12    2   21 o  175.101   8.2823 12607.09  1177.55 11441.77  1657.50 13794.63  1673.22  165.073   12.458  181.810   11.392 -16.73746 16.88128 
1 1 1  -12    2   22 o   27.061   11.474   33.445  437.348 -70.2905  576.390  174.215  671.441   29.448   12.834   34.804   14.449 -5.355927 19.32542 
1 1 1  -12    2   23 o   36.579   13.666  461.863  545.874  513.812  685.566  371.876  902.296   39.646   15.201   41.159   16.884 -1.512218 22.71853 
1 1 1  -12    2   24 o   42.937   13.138  813.013  500.767  497.828  671.491  1207.94  751.652   38.738   14.993   51.489   16.153 -12.75189 22.03831 
1 1 1  -12    2   25 o   73.251   11.879  2400.33  682.313  2304.01  907.087  2525.85  1035.48   68.996   16.428   71.283   17.912 -2.287025 24.30446 
1 1 1  -12    2   26 o   99.461   10.755  4437.19  854.697  4515.58  1150.70  4340.72  1276.52   96.040   15.267   91.362   17.848 4.678482 23.48669 
1 1 1  -12    4    2 o  368.377   18.154 55402.84  5430.11 58224.27  7694.03 52602.86  7664.73  375.815   25.362  356.841   26.646 18.97433 36.78651 
1 1 1  -12    4    3 o  344.882   17.107 48508.07  4790.44 50390.55  6778.32 46629.59  6771.10  349.947   24.000  336.384   24.969 13.56320 34.63294 
1 1 1  -12    4    4 o  826.959   58.551 291145.19 39060.62 291145.19 39060.62   0.0000   0.0000  826.959   58.551  ?   ?  0.000000 58.55092 
1 1 1  -12    4    5 o  152.430   6.3536  9436.76  786.374  9068.35  1107.58  9811.25  1116.68  149.109   9.1930  155.139   8.9020 -6.030701 12.79677 
1 1 1  -12    4    6 o  734.716   24.884 220273.70 14845.17 218502.30 20985.54 222048.00 21002.96  729.855   35.412  735.808   35.154 -5.952759 49.89790 
1 1 1  -12    4    7 o  1139.39   44.564 534515.31 41228.10 474671.09 71408.62 564438.12 50494.10  1052.11   84.297  1167.36   53.272 -115.2502 99.71895 
1 1 1  -12    4    8 o  505.199   24.710 104027.20 10136.34 112853.20 14302.85 95121.55 14367.27  524.234   33.781  480.510   37.112 43.72433 50.18432 
1 1 1  -12    4    9 o  1358.93   45.467 759958.12 50168.40 761911.12 70937.74 758003.88 70959.92  1351.41   64.648  1347.83   64.839 3.577271 91.56130 
1 1 1  -12    4   10 o  574.726   19.443 134514.09  9073.09 132259.09 12819.61 136777.30 12842.99  568.981   27.748  578.672   27.333 -9.690613 38.94991 
1 1 1  -12    4   11 o  684.702   22.931 191586.09 12748.37 178945.41 18016.35 204262.20 18041.52  658.373   33.816  704.941   31.520 -46.56769 46.22796 
1 1 1  -12    4   12 o  671.038   32.761 186534.50 17850.07 191116.59 25242.82 181951.59 25244.81  670.994   46.621  653.862   47.883 17.13177 66.83048 
1 1 1  -12    4   13 o  350.364   12.346 50017.25  3512.30 50350.71  4954.07 49680.25  4980.31  350.906   17.387  348.082   17.679 2.823761 24.79668 
1 1 1  -12    4   14 o  887.599   30.231 327969.81 21787.29 333287.00 30799.63 322644.19 30824.16  883.716   42.923  867.608   43.898 16.10834 61.39588 
1 1 1  -12    4   15 o  529.549   18.119 115083.80  7790.65 112917.90 11005.75 117259.10 11029.56  521.588   25.987  531.714   25.547 -10.12671 36.44136 
1 1 1  -12    4   16 o  117.550   6.6309  5637.52  630.316  5921.58  863.950  5314.24  921.647  120.254   8.9115  113.739   10.084 6.515366 13.45767 
1 1 1  -12    4   17 o  110.015   6.6549  4942.22  591.675  4630.67  817.732  5284.55  857.171  106.134   9.5926  113.464   9.3883 -7.329735 13.42232 
1 1 1  -12    4   18 o  111.120   7.0505  5049.04  632.839  5417.52  896.894  4683.70  893.057  114.766   9.7160  106.534   10.459 8.232430 14.27553 
1 1 1  -12    4   19 o  160.876   7.9641 10572.44  1040.31 11202.09  1466.52  9934.64  1475.98  164.778   11.025  154.943   11.821 9.834518 16.16422 
1 1 1  -12    4   20 o  108.513   7.7086  4845.16  674.776  4908.22  905.480  4766.41  1011.92  108.635   10.392  106.650   11.888 1.985031 15.78964 
1 1 1  -12    4   21 o   70.865   8.7311  2098.39  491.766  2388.57  645.423  1696.77  759.296   75.125   10.899   62.101   15.185 13.02391 18.69135 
1 1 1  -12    4   22 o   90.535   9.0429  3426.95  655.863  3432.26  852.515  3419.25  1026.62   89.640   12.015   88.372   14.833 1.267014 19.08868 
1 1 1  -12    4   23 o  104.157   9.3365  4561.52  781.224  4943.05  1076.96  4137.79  1134.95  106.985   12.642   96.638   14.947 10.34721 19.57595 
1 1 1  -12    4   24 o   61.645   12.277  1690.91  592.932  1786.00  789.298  1567.74  898.302   61.990   15.672   57.698   17.584 4.292038 23.55491 
1 1 1  -12    4   25 o   76.011   11.946  2589.66  712.971  2368.85  935.760  2895.23  1100.82   69.614   16.757   76.152   18.074 -6.537621 24.64680 
1 1 1  -12    4   26 o   59.012   14.583  1725.19  694.698  631.546  849.939  3926.27  1205.78   40.535   16.480   86.612   17.742 -46.07671 24.21491 
1 1 1  -12    6    1 o  705.474   34.271 205535.70 19630.93 210438.09 27784.87 200649.30 27739.85  706.249   48.751  688.924   49.929 17.32477 69.78187 
1 1 1  -12    6    2 o  662.918   46.746 184601.09 25000.71 184601.09 25000.71   0.0000   0.0000  662.918   46.746  ?   ?  0.000000 46.74615 
1 1 1  -12    6    3 o  465.446   22.684 88495.73  8572.95 90223.47 12147.30 86781.20 12100.78  467.448   32.201  458.275   32.735 9.172882 45.91824 
1 1 1  -12    6    4 o  542.458   26.294 120296.60 11581.38 118595.20 16398.12 121989.90 16359.04  535.319   37.973  543.135   37.321 -7.815796 53.24273 
1 1 1  -12    6    5 o  171.559   7.8979 11955.37  1100.17 11291.25  1947.87 12266.48  1333.19  165.982   14.602  173.497   9.4998 -7.515167 17.42000 
1 1 1  -12    6    6 o  154.566   7.3288  9703.10  919.788  9506.26  1624.81  9795.93  1115.78  152.346   13.268  155.034   8.9010 -2.687912 15.97674 
1 1 1  -12    6    7 o  665.102   26.156 180411.09 14125.32 176063.09 17292.64 189129.09 24486.37  656.234   32.454  676.587   44.826 -20.35315 55.34085 
1 1 1  -12    6    8 o  1688.40   83.218 1208372.00 114085.00   0.0000   0.0000 1208372.00 114085.00  ?   ?   1688.40   83.218 0.000000 83.21778 
1 1 1  -12    6    9 o  224.853   8.2977 20535.94  1514.93 20904.64  2130.73 20159.02  2154.34  226.512   11.624  222.400   11.974 4.112793 16.68839 
1 1 1  -12    6   10 o  218.685   8.1070 19427.46  1439.52 19905.78  2028.29 18941.98  2043.39  221.006   11.341  215.545   11.720 5.460922 16.30847 
1 1 1  -12    6   11 o  351.437   12.320 50254.13  3515.45 54333.73  4962.18 46143.40  4981.08  365.080   16.740  335.810   18.337 29.26999 24.82896 
1 1 1  -12    6   12 f  366.913   14.408 54893.02  4292.60 54067.17  5247.69 56563.09  7462.50  363.733   17.768  370.042   24.983 -6.308685 30.65729 
1 1 1  -12    6   13 o  114.691   6.2970  5361.71  584.169  5853.45  812.162  4834.60  840.866  119.676   8.4113  108.576   9.6382 11.10056 12.79239 
1 1 1  -12    6   14 o  681.589   23.411 191607.09 12956.31 189944.50 18307.00 193275.50 18339.02  673.127   33.495  679.156   33.256 -6.029053 47.20040 
1 1 1  -12    6   15 o  330.750   11.929 44631.46  3203.75 45066.93  4515.68 44190.11  4546.04  331.137   16.851  327.823   17.138 3.314270 24.03458 
1 1 1  -12    6   16 o  142.309   6.9591  8238.48  804.125  8625.32  1112.02  7814.50  1164.18  145.180   9.4855  138.032   10.465 7.147324 14.12427 
1 1 1  -12    6   17 o  380.277   13.857 59285.50  4278.78 58465.95  6031.28 60115.91  6071.13  375.228   19.867  380.564   19.715 -5.335510 27.98865 
1 1 1  -12    6   18 o  292.614   11.057 35056.81  2627.00 36602.26  3698.21 33482.73  3732.31  297.454   15.365  284.149   16.244 13.30469 22.35941 
1 1 1  -12    6   19 o  261.613   10.072 28087.04  2139.54 29199.07  3021.47 26968.66  3030.08  265.037   14.091  254.410   14.731 10.62741 20.38544 
1 1 1  -12    6   20 o  102.415   7.7088  4320.77  636.347  4380.51  857.164  4247.43  949.813  102.516   10.443  100.554   11.862 1.961449 15.80381 
1 1 1  -12    6   21 o  243.263   9.7366 24483.90  1923.18 19983.32  2669.71 29338.75  2772.80  216.353   15.296  264.416   12.915 -48.06218 20.01888 
1 1 1  -12    6   22 o   24.114   10.501 -53.7691  385.239  145.342  439.180 -718.2568  802.303   28.891   11.807   29.047   13.598 -0.1556187 18.00889 
1 1 1  -12    6   23 o   70.338   10.582  2125.04  585.641  1761.83  757.024  2666.41  924.215   62.360   15.110   76.931   15.334 -14.57056 21.52730 
1 1 1  -12    6   24 o   37.253   12.926  566.419  477.662  272.640  573.138  1234.53  864.315   33.484   13.561   51.978   17.402 -18.49401 22.06223 
1 1 1  -12    6   25 o   88.742   10.232  3442.92  723.743  3377.40  887.351  3573.12  1250.88   86.002   13.123   83.819   18.838 2.183426 22.95841 
1 1 1  -12    6   26 o   65.990   11.645  2022.07  601.141  2187.41  714.951  1623.19  1110.50   67.248   13.562   53.644   19.589 13.60435 23.82545 
1 1 1  -12    8    1 o  347.515   17.747 49314.97  4990.98 49538.96  7073.11 49092.86  7043.62  347.280   25.257  345.703   25.268 1.577087 35.72646 
1 1 1  -12    8    2 o  837.445   58.937 295578.81 39820.34 295578.81 39820.34   0.0000   0.0000  837.445   58.937  ?   ?  0.000000 58.93707 
1 1 1  -12    8    3 o  120.358   8.4075  5913.53  816.482  5839.93  1183.26  5980.42  1128.07  119.213   12.406  120.739   11.651 -1.526062 17.01950 
1 1 1  -12    8    4 o  705.210   34.148 203801.09 19553.19 194582.50 27682.73 212979.41 27622.15  683.663   50.220  716.232   47.771 -32.56946 69.31188 
1 1 1  -12    8    5 o  626.706   30.102 160507.30 15317.81 165841.30 21694.83 155204.80 21630.62  633.629   42.413  612.537   43.779 21.09186 60.95481 
1 1 1  -12    8    6 o  484.860   23.931 95808.09  9421.51 81911.43 13351.72 109590.10 13296.51  445.603   37.244  516.844   31.839 -71.24191 48.99794 
1 1 1  -12    8    7 o  794.276   30.543 257628.20 19698.15 291766.00 34182.91 240656.00 24102.43  839.627   50.373  765.317   38.915 74.30939 63.65359 
1 1 1  -12    8    8 o  712.144   27.700 206943.50 16017.02 227202.09 27803.01 196880.50 19595.40  741.409   46.418  692.715   34.951 48.69373 58.10562 
1 1 1  -12    8    9 f  576.188   19.871 135217.30  9296.68 138107.91 13144.35 132323.91 13150.64  581.416   27.843  568.312   28.590 13.10370 39.90739 
1 1 1  -12    8   10 o   84.750   5.6733  2930.23  388.147  3660.92  532.183  2099.78  567.348   94.676   6.9719   71.167   10.102 23.50901 12.27407 
1 1 1  -12    8   11 o  232.405   10.149 21968.33  1915.14 26017.49  3374.27 20044.08  2326.10  251.995   16.584  221.486   12.991 30.50844 21.06637 
1 1 1  -12    8   12 o  638.482   21.283 167215.20 11033.47 164099.70 15595.35 170337.30 15612.01  629.107   30.530  641.188   29.987 -12.08081 42.79407 
1 1 1  -12    8   13 o  354.533   12.209 51229.79  3514.52 50948.41  4959.21 51513.69  4981.42  352.862   17.309  354.817   17.291 -1.955017 24.46556 
1 1 1  -12    8   14 o   23.599   8.7959  170.592  225.864  283.780  264.485 -134.3118  434.092   27.833   9.6206   24.904   10.986 2.928791 14.60308 
1 1 1  -12    8   15 f  386.894   13.606 61185.03  4274.29 60827.81  6030.30 61545.70  6059.33  383.950   19.406  386.709   19.298 -2.759033 27.36769 
1 1 1  -12    8   16 o  204.131   8.3992 16970.04  1392.14 17985.43  1947.81 15909.71  1990.46  209.555   11.491  196.887   12.516 12.66791 16.99103 
1 1 1  -12    8   17 o  287.442   10.634 33753.77  2481.97 32746.74  3493.49 34780.10  3526.81  281.778   15.327  290.513   15.003 -8.734589 21.44728 
1 1 1  -12    8   18 o  294.071   10.478 35410.74  2501.87 33198.36  3506.24 37705.60  3570.99  282.976   15.317  302.255   14.550 -19.27844 21.12645 
1 1 1  -12    8   19 o  177.397   8.1524 12877.62  1174.28 13371.82  1640.76 12358.66  1681.35  179.780   11.297  172.577   12.075 7.203537 16.53584 
1 1 1  -12    8   20 o   19.132   8.3829 -57.5420  248.896  120.029  280.254 -720.4796  541.505   23.929   9.5561   22.260   10.639 1.668835 14.30070 
1 1 1  -12    8   21 o  166.088   8.7032 11410.95  1169.62 11541.87  1582.68 11253.41  1736.13  165.749   11.838  162.975   13.234 2.773987 17.75586 
1 1 1  -12    8   22 o   53.112   11.544  1229.78  483.637  796.723  570.089  2341.73  913.503   43.512   14.115   72.195   16.004 -28.68317 21.33871 
1 1 1  -12    8   23 f  130.416   8.5484  7114.56  900.210  6890.11  1183.07  7423.23  1387.37  126.772   11.623  130.600   13.267 -3.827660 17.63836 
1 1 1  -12    8   24 o  110.543   9.1513  5192.38  814.013  4953.41  1059.71  5536.33  1271.36  105.921   12.567  110.640   14.501 -4.719269 19.18855 
1 1 1  -12    8   25 o   22.022   10.001 -177.2936  389.054 -188.6888  410.538 -76.8877  1218.63   22.559   10.256   39.371   17.807 -16.81147 20.54955 
1 1 1  -12    8   26 o   95.951   12.527  4346.29  952.647  4346.29  952.647   0.0000   0.0000   95.951   12.527  ?   ?  0.000000 12.52667 
1 1 1  -12   10    1 o  540.064   21.645 118836.70  9491.49 122840.40 16440.20 116834.90 11624.49  545.938   37.311  534.316   26.880 11.62164 45.98503 
1 1 1  -12   10    2 o  337.885   17.414 46576.94  4761.27 45356.79  6764.35 47775.06  6702.98  332.514   25.242  341.435   24.337 -8.920837 35.06409 
1 1 1  -12   10    3 o  573.393   27.871 134222.20 12976.17 134024.20 18391.24 134418.41 18311.16  569.953   39.994  570.847   39.754 -0.8936157 56.39021 
1 1 1  -12   10    4 o  585.645   28.195 139995.20 13407.37 146773.00 19009.68 133286.41 18912.46  596.864   39.447  568.259   41.270 28.60468 57.09046 
1 1 1  -12   10    5 o  769.788   36.967 242679.30 23106.13 245464.09 32725.13 239910.80 32629.08  769.047   52.725  760.110   53.203 8.937256 74.90355 
1 1 1  -12   10    6 o  781.625   37.490 250202.70 23792.89 253894.09 33692.46 246530.70 33604.18  782.176   53.369  770.484   54.057 11.69165 75.96317 
1 1 1  -12   10    7 o  709.617   34.132 205999.50 19666.24   0.0000   0.0000 205999.50 19666.24  ?   ?   709.617   34.132 0.000000 34.13181 
1 1 1  -12   10    8 o  536.695   21.404 117358.90  9327.37 122259.40 16252.62 114952.20 11389.76  544.648   36.970  530.667   26.433 13.98151 45.44781 
1 1 1  -12   10    9 o  412.253   16.853 69211.75  5641.31 71767.79  9863.17 67969.05  6877.28  417.501   29.280  407.676   20.846 9.825104 35.94284 
1 1 1  -12   10   10 o  551.134   21.967 124265.70  9830.32 129856.00 17115.62 121513.80 12008.52  557.965   38.005  543.894   27.192 14.07135 46.73092 
1 1 1  -12   10   11 o  668.778   32.707 185715.00 17761.00 187076.80 25190.35 184368.59 25045.97  661.888   47.181  656.999   47.266 4.889771 66.78371 
1 1 1  -12   10   12 o  566.644   19.117 131527.30  8795.48 132457.50 12436.14 130596.30 12441.23  566.121   27.054  562.053   27.261 4.067810 38.40735 
1 1 1  -12   10   13 o  529.255   18.302 114804.80  7865.08 117507.10 11120.01 112099.70 11125.79  533.010   25.694  519.685   26.454 13.32416 36.87807 
1 1 1  -12   10   14 o  121.721   6.4529  6040.33  635.484  5933.89  865.377  6164.90  936.216  120.409   8.9147  122.681   9.4719 -2.271782 13.00723 
1 1 1  -12   10   15 o  731.939   25.219 223023.00 14987.76 221480.30 21191.10 224567.00 21200.69  719.036   36.415  725.203   36.004 -6.167725 51.20906 
1 1 1  -12   10   16 o  195.987   8.6208 15649.90  1371.88 17225.54  1924.45 14021.87  1956.19  204.998   11.609  184.625   13.135 20.37305 17.52993 
1 1 1  -12   10   17 o   81.623   7.0926  2733.58  465.386  2498.14  602.108  3082.96  733.476   77.611   9.7713   86.186   10.712 -8.574997 14.49936 
1 1 1  -12   10   18 o  126.173   7.7598  6523.29  791.126  6734.07  1052.94  6250.06  1198.85  127.774   10.235  122.653   12.200 5.121269 15.92441 
1 1 1  -12   10   19 o   32.510   10.065  433.717  292.946  704.625  326.793 -674.6026  660.990   40.592   9.9841   26.092   12.256 14.49961 15.80763 
1 1 1  -12   10   20 o   27.517   10.267  240.276  307.886  400.245  351.966 -281.0776  635.403   32.368   11.103   28.809   12.960 3.559124 17.06598 
1 1 1  -12   10   21 o   32.925   11.617  403.231  386.772  323.213  427.493  764.237  908.013   31.974   12.064   46.811   17.599 -14.83705 21.33683 
1 1 1  -12   10   22 o  116.677   8.2562  5665.67  777.123  5824.81  977.692  5392.61  1280.69  117.504   10.353  111.032   14.556 6.471703 17.86255 
1 1 1  -12   10   23 o   60.111   10.625  1570.82  499.611  1566.75  551.331  1589.49  1181.47   59.610   11.808   58.717   20.331 0.8927879 23.51174 
1 1 1  -12   10   24 o   15.775   7.6964 -567.2992  321.689 -578.4379  336.785 -451.3360  1086.66   16.251   7.9167   35.625   16.379 -19.37357 18.19197 
1 1 1  -12   10   25 o   79.448   10.174  2794.05  641.221  3049.11  718.655  1798.11  1420.07   82.482   11.005   56.991   21.871 25.49097 24.48378 
1 1 1  -12   12    1 o  1156.92   55.915 554198.88 52525.37 520101.09 74272.82 588313.81 74291.35  1104.95   83.399  1178.88   78.054 -73.93115 114.2269 
1 1 1  -12   12    2 o  366.574   18.833 54819.28  5586.70 51071.21  7930.98 58510.81  7870.93  352.728   27.920  377.975   25.800 -25.24689 38.01547 
1 1 1  -12   12    3 o  893.178   43.280 327625.00 31387.90 311386.81 44433.34 343798.81 44345.17  862.796   63.879  908.160   60.484 -45.36322 87.97050 
1 1 1  -12   12    4 o  637.858   31.175 166159.91 16145.95 155364.30 22885.13 176859.20 22782.86  612.935   46.325  654.953   43.081 -42.01874 63.26178 
1 1 1  -12   12    5 o  749.110   36.297 229699.09 22077.79 223026.20 31285.13 236319.00 31160.67  732.990   52.921  755.163   51.120 -22.17316 73.57964 
1 1 1  -12   12    6 o  270.574   20.264 29971.02  4419.68   0.0000   0.0000 29971.02  4419.68  ?   ?   270.574   20.264 0.000000 20.26429 
1 1 1  -12   12    7 o  850.542   40.108 297536.19 27699.41 333761.00 39238.28 261551.80 39107.80  894.529   54.280  788.417   61.579 106.1122 82.08643 
1 1 1  -12   12    8 o  565.990   23.063 130820.00 10599.10 134649.30 18496.87 128948.00 12932.97  569.471   40.262  560.354   28.519 9.116211 49.33937 
1 1 1  -12   12    9 o  293.184   13.404 34994.27  3191.00 27858.27  5670.64 38301.05  3860.18  259.060   27.373  306.183   15.578 -47.12271 31.49549 
1 1 1  -12   12   10 o  259.488   10.987 27403.95  2314.83 29347.34  4142.59 26521.63  2791.28  267.181   19.224  254.758   13.543 12.42241 23.51502 
1 1 1  -12   12   11 o  156.072   8.1858  9931.94  1033.74  8485.86  1929.21 10514.36  1224.34  143.113   16.930  160.485   9.4372 -17.37148 19.38268 
1 1 1  -12   12   12 o  522.935   21.194 112367.80  8998.93 106283.60 15724.21 115331.10 10973.70  500.138   39.029  528.341   25.580 -28.20227 46.66512 
1 1 1  -12   12   13 o  220.319   10.356 19773.01  1852.59 17672.45  3367.04 20685.02  2218.61  206.337   20.363  224.871   12.197 -18.53429 23.73599 
1 1 1  -12   12   14 o  116.403   8.0387  5540.18  755.120  4445.20  1529.49  5893.11  868.326  102.356   19.106  119.969   8.9792 -17.61327 21.11081 
1 1 1  -12   12   15 o  381.310   13.436 59497.71  4159.91 57567.57  5885.31 61424.83  5880.69  372.969   19.502  385.994   18.763 -13.02515 27.06240 
1 1 1  -12   12   16 o  306.804   11.042 38467.34  2750.73 37820.38  3889.63 39114.64  3890.61  302.755   15.878  307.987   15.609 -5.232025 22.26528 
1 1 1  -12   12   17 o  199.683   8.3285 16271.88  1350.35 16160.02  1893.87 16387.56  1925.90  198.135   11.826  199.503   11.944 -1.367889 16.80806 
1 1 1  -12   12   18 o  205.238   9.0569 17258.20  1509.29 18240.49  2139.30 16284.74  2129.66  209.742   12.620  197.897   13.331 11.84505 18.35742 
1 1 1  -12   12   19 o   86.576   7.2630  3088.99  505.850  2856.19  639.977  3476.59  825.788   82.730   9.7118   90.949   11.435 -8.218346 15.00275 
1 1 1  -12   12   20 o  143.727   7.7117  8510.07  896.680  8304.49  1227.84  8745.02  1312.59  140.995   10.807  144.530   11.274 -3.535538 15.61742 
1 1 1  -12   12   21 o   71.100   8.2045  2113.74  464.956  2491.17  531.908  891.192  957.303   77.148   8.6396   48.969   18.137 28.17914 20.08932 
1 1 1  -12   12   22 o  103.804   8.4344  4504.08  704.747  4742.60  851.903  3986.93  1254.41  105.921   10.025   93.587   17.139 12.33336 19.85558 
1 1 1  -12   12   23 o  104.075   8.6954  4569.51  728.078  4404.73  903.883  4873.96  1228.63  100.931   11.219  103.877   15.001 -2.945763 18.73273 
1 1 1  -12   12   24 o   26.756   11.280   85.795  418.902   75.725  438.359  191.742  1421.85   27.102   11.489   44.371   19.713 -17.26970 22.81631 
1 1 1  -12   12   25 o   68.541   10.281  2109.12  554.525  2111.25  600.986  2096.95  1438.31   67.935   11.291   58.931   22.151 9.004082 24.86259 
1 1 1  -12   14    1 o  606.686   24.370 149964.00 12004.85 152155.09 20819.18 148872.70 14693.66  607.464   42.476  603.923   29.965 3.541199 51.98188 
1 1 1  -12   14    2 o  1935.52  148.188 1731754.00 231120.59   0.0000   0.0000 1731754.00 231120.59  ?   ?   1935.52  148.188 0.000000 148.1884 
1 1 1  -12   14    3 o  1463.54  106.006 935526.38 125118.10 935526.38 125118.10   0.0000   0.0000  1463.54  106.006  ?   ?  0.000000 106.0059 
1 1 1  -12   14    4 o  530.087   25.529 114584.40 10987.92 129763.90 15605.24 99658.93 15474.13  562.076   34.358  491.395   39.106 70.68051 52.05545 
1 1 1  -12   14    5 o  191.759   16.053 15062.64  2476.53   0.0000   0.0000 15062.64  2476.53  ?   ?   191.759   16.053 0.000000 16.05327 
1 1 1  -12   14    6 o  826.248   39.467 281243.50 26477.54 300396.69 37528.30 262259.59 37362.06  846.580   54.891  788.989   58.741 57.59131 80.39623 
1 1 1  -12   14    7 o  569.686   27.428 133000.41 12687.30 144006.59 18030.21 122205.60 17856.17  589.149   37.892  541.554   40.910 47.59515 55.76192 
1 1 1  -12   14    8 o  442.419   18.792 79927.23  6750.61 79460.24 11886.13 80149.59  8201.75  437.093   33.753  441.829   22.941 -4.736237 40.81077 
1 1 1  -12   14    9 o  596.073   24.654 146056.70 11932.25 139343.70 20858.84 149322.09 14547.61  572.323   45.255  600.981   29.812 -28.65784 54.19210 
1 1 1  -12   14   10 o  148.782   11.279  9064.91  1352.45  2476.62  2117.93 13601.24  1757.43   80.292   27.239  182.345   11.936 -102.0530 29.73932 
1 1 1  -12   14   11 o  533.671   21.052 116979.60  9122.33 124558.80 15990.37 113322.70 11107.11  543.353   36.455  523.631   26.124 19.72229 44.84921 
1 1 1  -12   14   12 o  112.083   7.5595  5132.15  683.950  5240.97  1384.98  5097.05  786.550  112.148   15.635  111.578   8.7520 0.5705109 17.91760 
1 1 1  -12   14   13 o  145.202   8.5434  8611.23  1002.82  6537.02  1928.31  9380.17  1174.08  124.578   19.720  151.455   9.5967 -26.87682 21.93091 
1 1 1  -12   14   14 o  216.259   10.362 19071.71  1819.52 17419.00  3371.72 19750.75  2161.23  204.365   20.600  219.560   12.171 -15.19531 23.92679 
1 1 1  -12   14   15 o  233.726   10.721 22304.79  2034.65 26027.28  3808.18 20817.64  2407.01  250.317   18.875  225.088   13.228 25.22929 23.04913 
1 1 1  -12   14   16 o  134.225   9.0931  7386.90  985.177  6132.67  2053.50  7761.89  1122.83  119.311   22.008  137.446   10.133 -18.13547 24.22839 
1 1 1  -12   14   17 f  136.380   9.7405  7656.83  1071.53  9520.80  2483.12  7230.31  1187.82  148.717   21.160  132.216   11.169 16.50175 23.92705 
1 1 1  -12   14   18 o   46.634   14.128  914.795  581.116  288.177  1600.61  1009.93  623.671   52.230   22.037   48.838   14.600 3.392757 26.43481 
1 1 1  -12   14   19 o  199.542   11.099 16565.34  1791.20 17228.73  3741.19 16368.04  2040.25  195.177   24.120  197.572   12.787 -2.395691 27.30000 
1 1 1  -12   14   20 o  184.780   11.426 14319.09  1705.90 16062.74  3648.76 13831.34  1929.81  185.456   24.856  180.607   13.252 4.849106 28.16805 
1 1 1  -12   14   21 f  141.496   8.3876  8318.91  959.357  8855.34  1280.83  7633.34  1447.97  144.845   10.972  133.070   13.592 11.77454 17.46779 
1 1 1  -12   14   22 o   18.982   8.7446 -225.5948  311.821 -389.0666  332.460  969.773  899.018   17.905   8.4947   48.682   17.649 -30.77707 19.58649 
1 1 1  -12   14   23 o  125.907   14.620  7174.23  1466.82   0.0000   0.0000  7174.23  1466.82  ?   ?   125.907   14.620 0.000000 14.62004 
1 1 1  -12   14   24 o   40.148   18.620 -400.4199  1449.17   0.0000   0.0000 -400.4199  1449.17  ?   ?    40.148   18.620 0.000000 18.62029 
1 1 1  -12   14   25 o   37.798   11.768  670.007  399.806  529.388  419.387  2071.29  1323.90   34.525   12.104   57.532   21.325 -23.00754 24.52035 
1 1 1  -12   16    1 o  189.363   10.065 14610.57  1541.99 12948.84  2706.00 15409.63  1876.45  177.321   19.096  194.349   11.949 -17.02820 22.52589 
1 1 1  -12   16    2 o  115.292   8.4026  5428.23  781.179  6444.80  1388.93  4957.87  944.773  125.127   13.906  109.935   10.721 15.19205 17.55856 
1 1 1  -12   16    3 f  518.604   36.842 111060.40 15412.85   0.0000   0.0000 111060.40 15412.85  ?   ?   518.604   36.842 0.000000 36.84208 
1 1 1  -12   16    4 o  504.380   25.384 104234.50 10362.59 99820.19 14739.75 108548.70 14571.52  490.956   37.253  512.603   35.223 -21.64716 51.26836 
1 1 1  -12   16    5 o  788.172   38.364 256887.91 24551.53 261095.70 34812.50 252723.91 34630.44  785.427   54.933  772.298   55.597 13.12909 78.15786 
1 1 1  -12   16    6 o  652.560   31.559 175535.41 16721.99 188187.59 23743.09 163083.00 23554.97  669.648   43.910  621.706   47.009 47.94159 64.32670 
1 1 1  -12   16    7 o  632.665   30.261 165293.30 15545.31 185196.59 22096.37 145788.30 21874.10  663.755   41.203  585.943   46.355 77.81207 62.01974 
1 1 1  -12   16    8 o  257.355   14.547 27096.91  3027.41 25104.85  4389.10 28904.77  4181.25  246.401   22.175  265.029   19.568 -18.62837 29.57492 
1 1 1  -12   16    9 o  159.434   11.112 10399.99  1429.49  6697.22  2302.01 12723.97  1823.73  125.666   23.422  176.227   12.833 -50.56091 26.70772 
1 1 1  -12   16   10 o  417.997   15.904 71410.77  5397.83 79761.01  9605.87 67557.22  6525.55  438.185   27.132  405.817   19.804 32.36819 33.59075 
1 1 1  -12   16   11 o  335.247   14.494 45917.85  3945.36 43059.61  7107.60 47190.77  4743.22  320.921   27.543  338.982   17.290 -18.06088 32.52056 
1 1 1  -12   16   12 o  666.989   26.645 185063.20 14430.19 187628.20 25258.44 183820.41 17581.92  652.884   47.983  660.682   32.774 -7.798035 58.10777 
1 1 1  -12   16   13 o  187.365   9.0816 14299.73  1381.63 17676.15  2721.97 13127.92  1603.55  206.926   16.333  179.041   11.085 27.88542 19.73966 
1 1 1  -12   16   14 f  287.239   12.994 33764.86  3030.56 29015.69  5571.12 35760.82  3611.68  261.773   26.579  294.814   15.139 -33.04053 30.58827 
1 1 1  -12   16   15 o  225.522   10.959 20797.24  2006.85 19604.70  3856.77 21240.02  2350.06  215.483   22.369  227.267   12.787 -11.78406 25.76591 
1 1 1  -12   16   16 o  110.647   8.6908  5032.33  774.516  7069.71  1719.11  4513.46  867.553  129.438   16.750  104.466   10.365 24.97178 19.69733 
1 1 1  -12   16   17 o  158.990   10.124 10430.56  1300.10 10920.20  2982.25 10315.67  1444.60  157.107   24.151  157.783   11.352 -0.6756744 26.68610 
1 1 1  -12   16   18 o  201.405   10.848 16825.88  1767.53 19744.84  3614.37 15908.39  2026.36  212.115   21.272  194.978   12.872 17.13733 24.86361 
1 1 1  -12   16   19 o   55.607   15.188  1357.61  705.161  3161.19  2016.87  1106.43  752.664   82.139   26.538   51.009   16.184 31.13024 31.08386 
1 1 1  -12   16   20 o   40.012   15.952  414.876  779.753  638.736  2547.12  391.727  819.078   62.759   27.165   40.372   16.261 22.38782 31.66022 
1 1 1  -12   16   21 o   38.852   16.171  262.561  844.183 -791.2244  2847.29  364.120  883.927   56.701   26.228   40.711   16.707 15.99015 31.09684 
1 1 1  -12   16   22 o   60.058   17.776  1708.48  927.967  1404.38  3303.72  1734.53  966.893   66.822   29.843   60.400   18.207 6.421871 34.95843 
1 1 1  -12   16   23 o   68.082   22.396  2519.01  1433.42   0.0000   0.0000  2519.01  1433.42  ?   ?    68.082   22.396 0.000000 22.39610 
1 1 1  -12   16   24 o   38.144   17.583 -225.5117  1263.52   0.0000   0.0000 -225.5117  1263.52  ?   ?    38.144   17.583 0.000000 17.58318 
1 1 1  -12   18    1 o  420.055   17.865 71946.12  6093.38 65516.65 10644.07 75080.30  7431.62  397.393   33.294  428.709   21.349 -31.31573 39.55120 
1 1 1  -12   18    2 o  203.376   10.824 16867.88  1780.99 15803.95  3103.98 17390.07  2174.56  195.768   19.799  206.303   13.049 -10.53500 23.71248 
1 1 1  -12   18    3 o  209.717   10.944 17937.35  1857.06 17312.04  3197.16 18255.73  2281.36  204.995   19.440  211.342   13.363 -6.346741 23.59044 
1 1 1  -12   18    4 o  672.005   32.948 186772.20 17977.78 195568.91 25524.89 178112.59 25325.12  680.074   46.503  647.747   48.503 32.32666 67.19464 
1 1 1  -12   18    5 o  344.896   18.040 48726.38  5034.50 52978.66  7247.59 44761.21  6998.65  358.229   25.075  328.817   26.437 29.41202 36.43705 
1 1 1  -12   18    6 o  474.021   23.311 92272.22  8972.08 102808.60 12819.92 82157.20 12560.93  496.924   31.942  442.782   35.229 54.14246 47.55401 
1 1 1  -12   18    7 o  572.987   28.429 135746.30 13226.59 138151.91 18837.91 133407.30 18575.30  571.266   40.882  561.233   41.047 10.03229 57.93266 
1 1 1  -12   18    8 o  251.320   21.427 26116.89  4330.73 26116.89  4330.73   0.0000   0.0000  251.320   21.427  ?   ?  0.000000 21.42713 
1 1 1  -12   18    9 o  541.896   27.758 122043.20 12172.49 115634.50 17375.50 128219.70 17057.90  520.087   41.491  549.720   38.458 -29.63232 56.57324 
1 1 1  -12   18   10 o  244.385   10.348 24327.27  2053.43 26760.01  3878.52 23379.78  2420.50  254.658   18.892  239.074   12.513 15.58388 22.65993 
1 1 1  -12   18   11 o  376.988   16.903 58278.01  5174.06 51156.66  9311.64 61458.83  6223.22  346.786   33.486  385.900   19.929 -39.11383 38.96756 
1 1 1  -12   18   12 o  319.514   13.564 41754.34  3518.85 41632.21  6477.33 41805.47  4191.26  315.158   25.532  318.800   16.245 -3.641541 30.26174 
1 1 1  -12   18   13 o  481.556   20.487 96003.32  8010.49 89464.28 14266.08 99014.34  9680.67  452.004   39.261  486.415   24.591 -34.41043 46.32619 
1 1 1  -12   18   14 f   72.148   9.1851  2157.48  525.878  2164.54  1322.10  2156.16  573.170   71.520   21.230   71.975   10.084 -0.4552307 23.50294 
1 1 1  -12   18   15 o  205.405   10.934 17340.04  1817.03 12270.02  3563.79 19121.00  2112.19  167.212   27.182  215.429   12.124 -48.21700 29.76364 
1 1 1  -12   18   16 f  252.993   11.859 26399.90  2436.17 29968.72  4822.22 25176.92  2822.90  263.238   22.786  245.847   14.202 17.39124 26.84930 
1 1 1  -12   18   17 o   70.861   13.265  2155.45  735.154  2131.10  1847.28  2160.03  801.344   71.857   25.386   70.639   14.458 1.218971 29.21417 
1 1 1  -12   18   18 o  175.427   10.723 12810.79  1520.02 11748.85  3542.39 13050.44  1682.82  156.661   28.913  176.608   11.803 -19.94702 31.22974 
1 1 1  -12   18   19 o  120.121   12.362  6126.16  1188.47  5651.35  3089.34  6208.64  1287.56  103.426   32.785  120.488   13.387 -17.06195 35.41317 
1 1 1  -12   18   20 o  116.245   12.352  5789.27  1147.99  6398.57  2977.34  5682.87  1244.20  107.731   31.829  114.513   13.650 -6.782394 34.63260 
1 1 1  -12   18   21 o   94.352   14.708  3978.73  1090.05  3581.13  3558.61  4019.90  1145.09   80.419   33.314   94.401   15.475 -13.98189 36.73340 
1 1 1  -12   18   22 o   78.114   17.685  2947.49  1095.62   84.343  3895.58  3193.42  1141.71   62.041   29.328   81.326   17.785 -19.28537 34.29949 
1 1 1  -12   18   23 o   22.787   11.503 -2930.5559  1011.13   0.0000   0.0000 -2930.5559  1011.13  ?   ?    22.787   11.503 0.000000 11.50320 
1 1 1  -12   18   24 o   53.082   21.701  1687.01  1484.26   0.0000   0.0000  1687.01  1484.26  ?   ?    53.082   21.701 0.000000 21.70105 
1 1 1  -12   20    1 o  217.795   13.979 19412.09  2459.04   0.0000   0.0000 19412.09  2459.04  ?   ?   217.795   13.979 0.000000 13.97909 
1 1 1  -12   20    2 o  168.876   10.492 11649.00  1431.54 10654.49  2518.19 12123.85  1740.06  160.173   19.783  172.079   12.540 -11.90582 23.42256 
1 1 1  -12   20    3 o  384.380   16.245 60318.19  5070.23 56847.29  8825.63 62028.03  6194.44  369.652   29.654  388.799   19.686 -19.14706 35.59363 
1 1 1  -12   20    4 o  395.961   20.771 64428.59  6654.76 66613.28  9541.47 62359.22  9286.22  400.197   29.573  387.078   29.775 13.11954 41.96510 
1 1 1  -12   20    5 o  158.415   11.853 10278.21  1513.57 10926.26  2300.71  9783.73  2009.70  162.518   17.722  153.913   16.331 8.604874 24.09921 
1 1 1  -12   20    6 o  475.544   35.769 95203.48 13710.13 95203.48 13710.13   0.0000   0.0000  475.544   35.769  ?   ?  0.000000 35.76890 
1 1 1  -12   20    7 o  435.536   21.546 77971.30  7619.55 90570.58 10957.55 66175.13 10602.57  466.212   29.091  396.630   33.228 69.58209 44.16360 
1 1 1  -12   20    8 o  211.414   12.885 18301.14  2201.30 22987.65  3311.12 14589.08  2946.85  236.284   17.381  187.514   19.646 48.76982 26.23099 
1 1 1  -12   20    9 o  238.314   14.469 23298.51  2786.61 22619.79  4141.57 23859.95  3766.77  233.184   22.139  240.181   19.483 -6.996918 29.49128 
1 1 1  -12   20   10 o  119.056   8.4932  5798.85  815.648  2617.60  1911.86  6506.69  901.838   80.230   25.830  126.108   8.8637 -45.87775 27.30814 
1 1 1  -12   20   11 o  313.070   12.476 40049.08  3171.47 43992.60  5957.69 38489.68  3746.41  324.969   22.722  306.465   15.056 18.50406 27.25695 
1 1 1  -12   20   12 o  364.855   14.589 54598.68  4321.86 60198.13  7976.30 52271.53  5142.11  378.078   26.143  356.118   17.783 21.95969 31.61809 
1 1 1  -12   20   13 o  278.156   12.648 31710.78  2856.52 28957.15  5483.80 32736.17  3346.37  260.606   26.274  281.790   14.676 -21.18420 30.09509 
1 1 1  -12   20   14 o  180.165   10.161 13328.49  1480.33 10729.40  3165.74 14055.84  1674.71  156.705   25.777  184.807   11.213 -28.10176 28.11006 
1 1 1  -12   20   15 o  236.674   11.254 23062.04  2162.74 30885.65  4572.32 20807.10  2454.71  268.503   21.143  223.714   13.578 44.78925 25.12770 
1 1 1  -12   20   16 o   44.731   13.967  832.322  562.762  3073.31  2266.53  685.091  580.955   83.357   28.179   41.916   14.266 41.44102 31.58433 
1 1 1  -12   20   17 o  123.519   10.654  6365.57  1058.02  3140.20  2943.26  6844.21  1133.81   84.870   31.728  127.992   11.017 -43.12210 33.58678 
1 1 1  -12   20   18 o   95.359   12.534  3879.86  947.007  2083.52  2860.47  4100.99  1003.60   75.110   30.340   97.929   12.938 -22.81875 32.98357 
1 1 1  -12   20   19 o   52.027   17.515  1153.82  875.581  4588.42  2854.69  797.162  919.920   92.667   31.623   47.080   17.711 45.58688 36.24500 
1 1 1  -12   20   20 o   76.623   16.428  2688.38  991.411  979.540  3264.52  2862.00  1040.56   66.895   29.786   78.953   16.750 -12.05811 34.17260 
1 1 1  -12   20   21 o   45.409   17.616  758.338  928.699  1453.68  3401.18  702.318  965.385   66.458   29.933   45.091   17.821 21.36783 34.83597 
1 1 1  -12   20   22 o  118.618   22.888  7611.18  2124.54   0.0000   0.0000  7611.18  2124.54  ?   ?   118.618   22.888 0.000000 22.88779 
1 1 1  -12   20   23 o   46.428   20.047  809.519  1380.34   0.0000   0.0000  809.519  1380.34  ?   ?    46.428   20.047 0.000000 20.04727 
1 1 1  -12   22    1 o  348.549   19.172 49903.06  5404.97   0.0000   0.0000 49903.06  5404.97  ?   ?   348.549   19.172 0.000000 19.17186 
1 1 1  -12   22    2 o  252.463   12.865 26048.11  2628.57 29476.63  4726.08 24512.51  3162.92  267.003   21.995  244.437   16.025 22.56575 27.21369 
1 1 1  -12   22    3 o  446.944   19.021 81840.77  6902.62 78899.45 12051.03 83276.95  8420.83  433.097   34.557  449.295   23.161 -16.19785 41.60062 
1 1 1  -12   22    4 o  438.583   23.662 79467.44  8395.11 73348.17 11731.60 85889.70 12018.55  417.045   34.967  452.420   32.943 -35.37457 48.04133 
1 1 1  -12   22    5 o  350.236   28.469 51238.68  8026.04 51238.68  8026.04   0.0000   0.0000  350.236   28.469  ?   ?  0.000000 28.46933 
1 1 1  -12   22    6 o  212.079   14.127 18449.13  2418.82 18125.11  3641.07 18705.09  3236.09  208.728   21.806  212.694   18.936 -3.966751 28.88024 
1 1 1  -12   22    7 o  306.256   17.557 38581.09  4347.64 37663.52  6399.24 39367.71  5925.09  300.085   26.537  307.684   23.904 -7.598999 35.71561 
1 1 1  -12   22    8 o  148.707   12.701  9093.99  1518.83  8882.03  2409.86  9233.67  1956.29  145.343   21.031  149.224   16.417 -3.880203 26.68049 
1 1 1  -12   22    9 o  296.636   17.018 36245.20  4081.84 36489.98  6053.16 36041.07  5527.73  295.026   25.520  293.946   23.353 1.080200 34.59208 
1 1 1  -12   22   10 o  404.139   14.992 66966.64  4919.71 75376.18  9051.65 63440.83  5861.00  423.645   26.446  392.382   18.396 31.26315 32.21513 
1 1 1  -12   22   11 o  172.308   9.9630 12155.31  1387.95  9026.08  3039.70 12979.58  1560.08  144.328   26.929  177.938   10.850 -33.60983 29.03233 
1 1 1  -12   22   12 o  235.282   11.707 22671.98  2236.46 19967.15  4475.49 23572.21  2581.94  215.757   26.076  239.236   13.345 -23.47977 29.29229 
1 1 1  -12   22   13 o  280.030   14.151 32461.95  3207.19 23165.89  6232.46 35810.29  3740.46  225.331   35.217  293.485   15.754 -68.15329 38.58002 
1 1 1  -12   22   14 o   67.394   11.544  1922.46  608.994  3325.39  2474.99  1832.05  628.312   87.490   29.447   65.601   12.246 21.88859 31.89183 
1 1 1  -12   22   15 o   97.317   9.8642  3937.95  768.686  8003.02  2832.09  3614.66  798.667  131.443   27.423   92.979   10.779 38.46389 29.46522 
1 1 1  -12   22   16 o  110.085   10.031  5048.01  886.742  9478.83  3156.06  4668.25  923.961  141.085   28.531  105.573   10.937 35.51264 30.55530 
1 1 1  -12   22   17 o  184.339   11.483 14245.43  1710.13 12189.20  4467.40 14598.48  1851.13  149.888   36.944  186.179   12.315 -36.29115 38.94228 
1 1 1  -12   22   18 o  132.211   11.008  7373.23  1170.99 12608.15  3846.71  6838.58  1229.33  155.330   31.576  126.809   12.086 28.52085 33.80960 
1 1 1  -12   22   19 o   61.439   17.282  1739.93  898.348 -653.0255  3637.05  1895.41  927.073   63.015   29.318   64.015   17.386 -1.000431 34.08533 
1 1 1  -12   22   20 o   53.808   18.230  1322.05  948.576  313.068  3978.03  1382.88  976.751   65.396   30.504   54.818   18.499 10.57797 35.67503 
1 1 1  -12   22   21 o   58.418   19.265  1708.32  1060.41   0.0000   0.0000  1708.32  1060.41  ?   ?    58.418   19.265 0.000000 19.26509 
1 1 1  -12   22   22 o   69.575   26.095  3320.82  1994.07   0.0000   0.0000  3320.82  1994.07  ?   ?    69.575   26.095 0.000000 26.09511 
1 1 1  -12   24    1 o  370.781   30.294 57671.25  9040.71   0.0000   0.0000 57671.25  9040.71  ?   ?   370.781   30.294 0.000000 30.29404 
1 1 1  -12   24    2 o  444.553   35.248 83689.43 12618.75   0.0000   0.0000 83689.43 12618.75  ?   ?   444.553   35.248 0.000000 35.24757 
1 1 1  -12   24    3 o  314.068   18.393 40600.71  4670.07   0.0000   0.0000 40600.71  4670.07  ?   ?   314.068   18.393 0.000000 18.39331 
1 1 1  -12   24    4 o  179.893   15.104 13326.74  2185.83   0.0000   0.0000 13326.74  2185.83  ?   ?   179.893   15.104 0.000000 15.10438 
1 1 1  -12   24    5 o  483.090   25.404 97095.20  9929.91   0.0000   0.0000 97095.20  9929.91  ?   ?   483.090   25.404 0.000000 25.40430 
1 1 1  -12   24    6 o  108.621   13.994  4902.43  1205.51  4153.12  2231.93  5211.06  1432.42   98.283   27.095  111.616   16.285 -13.33242 31.61211 
1 1 1  -12   24    7 o  169.177   13.944 11786.96  1898.31 11651.54  3132.11 11865.59  2386.59  165.945   23.938  169.031   17.649 -3.086426 29.74059 
1 1 1  -12   24    8 o  273.486   16.983 30860.78  3752.58 30630.37  5722.82 31034.58  4970.30  269.404   26.505  272.570   22.663 -3.166595 34.87312 
1 1 1  -12   24    9 o  255.957   16.484 27062.07  3407.60 24087.92  5189.95 29315.76  4517.81  237.823   27.376  265.004   21.173 -27.18152 34.60826 
1 1 1  -12   24   10 o   69.587   16.815  2077.17  939.503  5778.75  1777.58  642.357  1106.71  116.548   19.471   49.362   19.208 67.18645 27.35046 
1 1 1  -12   24   11 o  116.858   7.9469  5595.41  749.564  9516.57  2213.45  5087.50  796.632  150.154   18.549  111.268   8.8918 38.88567 20.57040 
1 1 1  -12   24   12 o   58.087   9.3993  1415.94  428.175 -930.9191  1510.29  1621.05  446.494   42.564   19.473   62.301   9.0943 -19.73725 21.49235 
1 1 1  -12   24   13 o  100.712   9.4811  4199.27  766.188  4853.29  2946.68  4151.85  793.481  102.181   31.969  100.050   9.8972 2.131294 33.46646 
1 1 1  -12   24   14 o  108.775   9.1285  4897.34  798.789 13809.10  3200.77  4305.44  824.890  176.421   22.883  101.711   10.123 74.70973 25.02232 
1 1 1  -12   24   15 o  128.525   9.7012  6858.83  1004.94  8247.63  3180.83  6704.83  1059.20  129.673   30.688  126.865   10.373 2.808479 32.39347 
1 1 1  -12   24   16 f  143.787   10.394  8635.48  1205.28  4754.28  4030.93  9016.55  1263.07   96.492   36.891  146.831   10.667 -50.33958 38.40252 
1 1 1  -12   24   17 o   99.550   11.199  4204.95  889.505  487.186  3846.41  4415.01  914.289   70.962   31.908  102.024   11.222 -31.06235 33.82418 
1 1 1  -12   24   18 o   37.991   15.661  285.090  781.081  2306.71  3131.41  150.965  806.576   74.043   31.009   36.863   15.603 37.18010 34.71356 
1 1 1  -12   24   19 o   77.995   15.462  2785.22  944.586  6320.32  4493.41  2621.78  966.175   92.347   37.757   75.164   16.300 17.18265 41.12493 
1 1 1  -12   24   20 o   36.915   16.220   29.131  937.447  787.330  4769.43  -1.3376  956.097   65.627   31.422   36.944   16.301 28.68314 35.39851 
1 1 1  -12   24   21 o   40.579   19.256 -834.5811  1710.50   0.0000   0.0000 -834.5811  1710.50  ?   ?    40.579   19.256 0.000000 19.25646 
1 1 1  -12   24   22 o   67.191   25.131  3416.86  1847.00   0.0000   0.0000  3416.86  1847.00  ?   ?    67.191   25.131 0.000000 25.13132 
1 1 1  -12   26    1 o   86.285   18.849  3178.53  1283.61   0.0000   0.0000  3178.53  1283.61  ?   ?    86.285   18.849 0.000000 18.84885 
1 1 1  -12   26    2 o  100.431   18.127  4268.40  1423.84   0.0000   0.0000  4268.40  1423.84  ?   ?   100.431   18.127 0.000000 18.12749 
1 1 1  -12   26    3 f  267.087   19.245 29521.98  4145.65 30243.07  5996.64 28861.85  5737.61  267.569   28.017  261.538   27.426 6.031128 39.20658 
1 1 1  -12   26    4 o  230.296   18.730 21975.28  3472.01 24307.55  4799.30 19414.35  5029.07  240.488   24.941  213.014   29.900 27.47363 38.93641 
1 1 1  -12   26    5 o  349.552   22.218 50848.77  6273.14 46285.95  8686.44 55822.36  9069.03  328.631   32.999  362.163   31.143 -33.53189 45.37444 
1 1 1  -12   26    6 o  199.214   26.702 16910.40  4210.42 16910.40  4210.42   0.0000   0.0000  199.214   26.702  ?   ?  0.000000 26.70153 
1 1 1  -12   26   10 o  173.885   19.079 12818.71  2649.46   0.0000   0.0000 12818.71  2649.46  ?   ?   173.885   19.079 0.000000 19.07888 
1 1 1  -12   26   11 o  125.917   10.095  6551.60  1023.43   0.0000   0.0000  6551.60  1023.43  ?   ?   125.917   10.095 0.000000 10.09492 
1 1 1  -12   26   12 o  303.042   16.200 38727.59  3971.83   0.0000   0.0000 38727.59  3971.83  ?   ?   303.042   16.200 0.000000 16.20038 
1 1 1  -12   26   13 o   36.893   12.247  540.342  428.287   0.0000   0.0000  540.342  428.287  ?   ?    36.893   12.247 0.000000 12.24711 
1 1 1  -12   26   14 o   73.421   11.140  2287.57  643.286   0.0000   0.0000  2287.57  643.286  ?   ?    73.421   11.140 0.000000 11.14036 
1 1 1  -12   26   15 o   43.521   13.407  804.522  520.532  1484.64  2951.10  782.683  528.823   71.644   30.059   43.098   13.553 28.54578 32.97307 
1 1 1  -12   26   16 o  106.660   10.435  4797.41  892.103  6755.57  3202.59  4632.69  928.867  110.697   33.083  104.538   11.114 6.159195 34.90002 
1 1 1  -12   26   17 o   89.305   12.050  3445.93  851.481 -1410.2920  3273.41  3798.36  881.837   57.736   27.168   93.925   11.825 -36.18893 29.62976 
1 1 1  -12   26   18 o   67.188   30.688  1005.54  3730.54 -1451.7531  6627.01  2145.46  4513.63   71.026   34.713   73.986   33.778 -2.960045 48.43505 
1 1 1  -12   26   19 o  109.216   14.017  5408.36  1214.37 -1899.0870  4856.30  5895.77  1254.21   60.082   29.438  114.258   13.798 -54.17604 32.51149 
1 1 1  -12   26   20 o   37.780   18.261 -1513.6660  1702.19   0.0000   0.0000 -1513.6660  1702.19  ?   ?    37.780   18.261 0.000000 18.26118 
1 1 1  -12   26   21 o   37.743   17.941 -614.5742  1497.03   0.0000   0.0000 -614.5742  1497.03  ?   ?    37.743   17.941 0.000000 17.94061 
1 1 1  -12   28    1 o  207.671   17.388 17887.00  2904.94   0.0000   0.0000 17887.00  2904.94  ?   ?   207.671   17.388 0.000000 17.38753 
1 1 1  -12   28    2 o  202.845   17.479 17080.97  2850.70   0.0000   0.0000 17080.97  2850.70  ?   ?   202.845   17.479 0.000000 17.47874 
1 1 1  -12   28    3 o  250.091   15.612 25815.01  3154.47 24982.85  5999.64 26132.94  3708.42  240.123   31.534  250.861   18.333 -10.73792 36.47625 
1 1 1  -12   28    4 o  347.793   17.931 50126.78  5046.56 48758.22  9223.95 50711.45  6028.92  334.063   34.503  348.323   21.420 -14.26035 40.61113 
1 1 1  -12   28    5 o  391.946   19.175 63794.74  6102.47 69723.48 10943.26 61119.01  7351.69  399.087   34.098  380.620   23.909 18.46689 41.64538 
1 1 1  -12   28    6 f  225.891   15.221 21145.48  2775.58 23179.10  5223.87 20345.55  3276.31  230.993   28.453  220.502   18.469 10.49161 33.92216 
1 1 1  -12   28    7 o  112.854   18.057  5430.46  1598.86  6097.71  3197.20  5207.96  1846.30  115.717   32.622  109.457   21.541 6.260345 39.09277 
1 1 1  -12   28    8 o   49.461   18.985  722.402  1070.12  1750.95  2351.47  453.749  1201.77   73.175   28.129   48.348   19.618 24.82734 34.29452 
1 1 1  -12   28    9 o  125.193   17.706  6706.31  1749.65 -674.5984  3358.28  9456.18  2049.83   67.366   30.087  149.206   17.237 -81.83971 34.67496 
1 1 1  -12   28   10 o  218.691   17.257 20301.59  3039.38 22127.49  5256.90 19384.73  3725.12  218.984   30.384  210.791   22.093 8.192856 37.56681 
1 1 1  -12   28   11 o   50.849   11.177  1110.28  448.877  8105.90  2790.58  924.468  454.799  132.275   26.898   46.345   11.994 85.92957 29.45115 
1 1 1  -12   28   12 o   65.272   10.376  1803.84  531.529  7355.84  2477.59  1535.98  544.199  126.028   25.094   59.827   11.621 66.20098 27.65399 
1 1 1  -12   28   13 o  175.097   13.088 12954.90  1847.24 14408.49  4488.09 12658.43  2026.89  167.598   34.140  172.237   14.632 -4.638901 37.14301 
1 1 1  -12   28   14 o   51.388   13.206  1158.94  554.014  504.199  3064.02  1181.06  563.298   66.505   29.270   51.859   13.310 14.64616 32.15398 
1 1 1  -12   28   15 o  186.822   14.723 15132.60  2215.35 14776.82  5392.63 15204.83  2429.85  151.590   42.238  185.999   16.252 -34.40857 45.25705 
1 1 1  -12   28   16 o   81.182   14.287  2932.06  907.370  3974.69  4182.22  2880.56  929.510   84.531   35.641   80.198   14.820 4.333221 38.59964 
1 1 1  -12   28   17 o   74.724   32.773  2849.15  3812.08  2849.15  3812.08   0.0000   0.0000   74.724   32.773  ?   ?  0.000000 32.77268 
1 1 1  -12   28   18 o   58.864   28.085 -328.0037  3739.52 -328.0037  3739.52   0.0000   0.0000   58.864   28.085  ?   ?  0.000000 28.08518 
1 1 1  -12   30    1 o   63.843   21.981  1589.34  1380.04   0.0000   0.0000  1589.34  1380.04  ?   ?    63.843   21.981 0.000000 21.98105 
1 1 1  -12   30    2 o   33.873   15.797 -971.9764  1066.02   0.0000   0.0000 -971.9764  1066.02  ?   ?    33.873   15.797 0.000000 15.79712 
1 1 1  -12   30    3 o   37.446   17.088 -708.1246  1153.49   0.0000   0.0000 -708.1246  1153.49  ?   ?    37.446   17.088 0.000000 17.08829 
1 1 1  -12   30    4 o  300.759   17.525 37903.10  4261.20 44601.53  8102.04 35341.70  5010.11  315.342   32.090  288.090   21.575 27.25214 38.66825 
1 1 1  -12   30    5 o  146.717   17.225  9116.90  2012.97  4472.56  4131.77 10562.36  2305.03  102.840   37.750  157.633   18.353 -54.79352 41.97499 
1 1 1  -12   30    6 o  208.160   16.370 18229.70  2744.55 22132.84  5330.01 16821.39  3201.63  220.608   30.578  198.120   20.184 22.48830 36.63880 
1 1 1  -12   30    7 o  163.430   17.035 11349.50  2227.26  8378.04  4666.62 12226.04  2534.57  128.879   40.217  168.888   18.802 -40.00853 44.39518 
1 1 1  -12   30    8 o  142.648   18.918  8803.47  2137.17  9329.00  4294.48  8630.47  2463.95  135.947   37.627  139.504   22.519 -3.556732 43.85074 
1 1 1  -12   30    9 o  325.127   21.825 46300.72  5728.28 49920.69  9234.99 44036.99  7302.93  318.126   36.407  307.924   29.573 10.20251 46.90461 
1 1 1  -12   30   10 o   27.784   13.440 -1433.2190  926.489 -2668.8440  2421.90 -1221.3960  1002.76   47.236   22.555   30.618   14.591 16.61744 26.86280 
1 1 1  -12   30   11 o  126.972   19.424  7164.70  1938.85  7597.89  4385.72  7059.47  2161.55  117.035   39.200  124.445   22.206 -7.409706 45.05276 
1 1 1  -12   30   12 o   66.549   9.6958  1872.70  508.523 -971.9445  3208.02  1946.02  515.035   61.344   28.181   67.886   9.6124 -6.541328 29.77559 
1 1 1  -12   30   13 o   65.460   11.098  1841.45  568.794  1410.04  4004.58  1850.34  574.620   75.808   33.409   65.593   11.191 10.21479 35.23317 
1 1 1  -12   30   14 o  ?   ?  -2706.6440  688.546 -2060.2581  3557.01 -2731.8069  701.820   58.315   27.700  ?   ?  0.000000 27.70046 
1 1 1  -12   30   15 o   49.596   20.349  707.692  1310.93 -2307.5481  4185.56  1035.65  1380.39   60.375   29.045   53.537   21.262 6.838139 35.99585 
1 1 1  -12   30   16 o   34.577   16.244 -868.6486  1162.01 -1848.8680  3448.92 -743.1295  1234.17   54.839   26.378   36.539   17.026 18.29919 31.39531 
1 1 1  -12   30   17 o   22.546   10.977 -1019.6280  645.100 -6552.0581  5085.59 -929.1520  650.353   52.430   26.383   23.221   11.239 29.20850 28.67692 
1 1 1  -12   30   18 o   59.586   23.367  2077.61  1647.71   0.0000   0.0000  2077.61  1647.71  ?   ?    59.586   23.367 0.000000 23.36707 
1 1 1  -12   32    1 o   57.805   22.708  951.800  1558.57   0.0000   0.0000  951.800  1558.57  ?   ?    57.805   22.708 0.000000 22.70796 
1 1 1  -12   32    2 o  126.221   21.523  7006.04  2126.71   0.0000   0.0000  7006.04  2126.71  ?   ?   126.221   21.523 0.000000 21.52297 
1 1 1  -12   32    3 o  238.616   21.151 24639.11  4055.50   0.0000   0.0000 24639.11  4055.50  ?   ?   238.616   21.151 0.000000 21.15106 
1 1 1  -12   32    4 o   54.629   21.947  731.210  1487.87   0.0000   0.0000  731.210  1487.87  ?   ?    54.629   21.947 0.000000 21.94655 
1 1 1  -12   32    5 o   82.594   23.762  3085.14  1679.12  3242.76  4125.35  3053.84  1838.28   92.084   36.698   82.258   25.172 9.826393 44.50133 
1 1 1  -12   32    6 f  244.263   18.877 25715.79  3714.80 24837.19  7368.88 26015.16  4301.37  215.465   43.616  243.191   22.022 -27.72643 48.86054 
1 1 1  -12   32    7 o   57.567   21.724  1165.74  1386.43 -3047.2000  4348.67  1642.41  1462.77   65.811   31.073   63.696   22.580 2.114868 38.41049 
1 1 1  -12   32    8 o  264.454   19.818 30627.23  4224.49 32903.41  8320.73 29836.74  4903.48  243.741   43.646  256.987   23.769 -13.24580 49.69810 
1 1 1  -12   32    9 o  132.391   21.922  7970.20  2274.13 10557.41  5245.58  7371.38  2523.62  133.352   42.769  124.753   25.766 8.599258 49.93093 
1 1 1  -12   32   10 o   56.017   21.803  1060.84  1426.28 -4859.0830  4394.97  1757.69  1507.89   59.608   28.937   64.347   22.913 -4.739086 36.91068 
1 1 1  -12   32   11 o   54.374   21.755  910.008  1455.46  3671.76  4637.43  608.246  1532.91   88.709   37.474   52.435   21.805 36.27462 43.35589 
1 1 1  -12   32   12 o  111.198   23.311  5985.10  2037.49  2175.53  5569.14  6573.80  2189.26   82.762   37.682  116.127   24.011 -33.36568 44.68197 
1 1 1  -12   32   13 o   40.310   18.262 -399.1830  1287.66  506.409  5033.54 -462.5961  1331.98   73.155   34.187   40.580   18.458 32.57560 38.85180 
1 1 1  -12   32   14 o   99.508   10.208  4234.17  813.091  5802.65  5889.12  4203.69  820.954   87.086   39.290   99.073   10.358 -11.98780 40.63220 
1 1 1  -12   32   15 o  102.702   11.180  4600.26  917.236  2946.91  6301.49  4636.04  927.110   73.927   35.583  103.052   11.263 -29.12533 37.32323 
1 1 1  -12   32   16 o   45.311   20.192  271.747  1503.65  1206.68  6059.88  210.407  1552.19   64.925   32.021   45.367   20.344 19.55870 37.93730 
1 1 1  -12   32   17 o   57.892   23.673  2017.86  1766.75   0.0000   0.0000  2017.86  1766.75  ?   ?    57.892   23.673 0.000000 23.67291 
1 1 1  -12   34    1 o   90.357   27.151  3828.29  2152.77   0.0000   0.0000  3828.29  2152.77  ?   ?    90.357   27.151 0.000000 27.15126 
1 1 1  -12   34    2 o   56.492   23.260  686.377  1720.35   0.0000   0.0000  686.377  1720.35  ?   ?    56.492   23.260 0.000000 23.26009 
1 1 1  -12   34    3 o   48.438   21.553 -358.3817  1706.11   0.0000   0.0000 -358.3817  1706.11  ?   ?    48.438   21.553 0.000000 21.55286 
1 1 1  -12   34    4 o   63.344   24.987  1302.39  1894.33   0.0000   0.0000  1302.39  1894.33  ?   ?    63.344   24.987 0.000000 24.98653 
1 1 1  -12   34    5 o  166.798   21.737 12498.10  2873.98 11976.87  6756.01 12613.26  3175.64  136.065   48.496  165.646   24.336 -29.58090 54.25963 
1 1 1  -12   34    6 o  101.710   25.612  4948.35  2113.86  7930.20  5457.67  4422.07  2292.83  115.646   43.211   95.146   27.881 20.50020 51.42500 
1 1 1  -12   34    7 o   68.520   23.974  2060.78  1644.75  3314.55  5278.90  1925.99  1730.91   91.089   39.268   67.440   24.482 23.64887 46.27491 
1 1 1  -12   34    8 o   72.244   25.936  2351.69  1935.61  6561.36  5422.57  1736.98  2072.12  104.509   41.928   67.141   26.239 37.36767 49.46182 
1 1 1  -12   34    9 o  180.527   23.823 15448.15  3406.71 16327.52  7770.83 15238.93  3790.36  139.169   51.648  175.303   27.536 -36.13417 58.52985 
1 1 1  -12   34   10 f   48.570   21.184  136.579  1573.35 -4811.4380  5851.88  522.127  1633.50   66.431   32.499   52.228   22.161 14.20298 39.33580 
1 1 1  -12   34   11 o  127.988   25.631  8337.98  2570.69 13523.59  7219.56  7585.04  2751.00  118.029   48.012  118.456   28.866 -0.4266891 56.02155 
1 1 1  -12   34   12 o   32.303   12.129  356.528  431.051  4667.62  6463.85  337.271  432.012   84.070   39.104   31.935   12.109 52.13474 40.93576 
1 1 1  -12   34   13 o  101.879   10.117  4462.41  825.797  925.404  7413.50  4506.85  830.969   72.692   35.767  102.382   10.129 -29.69023 37.17370 
1 1 1  -12   34   14 o   19.783   9.2897 -353.5921  379.346 -1076.7750  7298.38 -351.6331  379.859   65.143   32.614   19.821   9.3039 45.32167 33.91505 
1 1 1  -12   34   15 f   55.545   23.861  1523.57  1935.93   0.0000   0.0000  1523.57  1935.93  ?   ?    55.545   23.861 0.000000 23.86102 
1 1 1  -12   36    1 o   89.464   29.897  3977.66  2551.06   0.0000   0.0000  3977.66  2551.06  ?   ?    89.464   29.897 0.000000 29.89706 
1 1 1  -12   36    2 o  112.728   30.296  6502.63  2832.48   0.0000   0.0000  6502.63  2832.48  ?   ?   112.728   30.296 0.000000 30.29554 
1 1 1  -12   36    3 o   67.216   28.295  1204.73  2628.90   0.0000   0.0000  1204.73  2628.90  ?   ?    67.216   28.295 0.000000 28.29470 
1 1 1  -12   36    4 o   72.271   27.809  2207.89  2299.82   0.0000   0.0000  2207.89  2299.82  ?   ?    72.271   27.809 0.000000 27.80946 
1 1 1  -12   36    5 o  119.213   33.476  7815.03  3373.59   0.0000   0.0000  7815.03  3373.59  ?   ?   119.213   33.476 0.000000 33.47585 
1 1 1  -12   36    6 o   95.114   42.775  4974.15  6915.52  1862.76 13095.08  6177.48  8143.75   95.720   47.182   99.223   45.328 -3.503006 65.42785 
1 1 1  -12   36    7 o  124.849   27.721  8022.63  2736.91  4183.13  7864.40  8551.72  2919.40   91.674   42.805  127.922   28.801 -36.24753 51.59204 
1 1 1  -12   36    8 f  112.930   29.370  6937.02  2718.46 13354.60  8054.38  6111.98  2887.92  114.399   48.893  103.368   31.534 11.03114 58.18055 
1 1 1  -12   36    9 o  181.484   26.156 16971.73  3743.08 19478.94  9649.53 16527.66  4061.06  118.733   52.106  173.824   29.849 -55.09021 60.05021 
1 1 1  -12   36   10 o   86.243   27.125  4187.84  2118.17  5642.54  8660.04  4095.28  2184.52   84.373   40.880   84.815   27.636 -0.4421310 49.34492 
1 1 1  -12   36   11 o   64.066   25.873  2048.71  2079.59 -6964.1201  8671.00  2598.76  2142.11   65.223   33.015   68.700   26.725 -3.476898 42.47612 
1 1 1  -12   36   12 o   65.913   10.701  1922.39  553.044 -448.7331  9110.93  1931.16  554.066   67.672   34.206   66.070   10.693 1.601830 35.83826 
1 1 1  -12   36   13 o   69.388   27.259  3329.51  2245.95  2810.25  9804.22  3358.26  2307.31   65.485   33.344   69.335   27.504 -3.849953 43.22387 
1 1 1  -12   36   14 o   67.585   26.831  3529.71  2197.49   0.0000   0.0000  3529.71  2197.49  ?   ?    67.585   26.831 0.000000 26.83148 
1 1 1  -12   38    1 o  157.718   43.935 17180.36  5835.38   0.0000   0.0000 17180.36  5835.38  ?   ?   157.718   43.935 0.000000 43.93521 
1 1 1  -12   38    2 o  222.998   30.564 26485.54  5388.49   0.0000   0.0000 26485.54  5388.49  ?   ?   222.998   30.564 0.000000 30.56386 
1 1 1  -12   38    3 o   72.200   30.393  2131.48  3033.20   0.0000   0.0000  2131.48  3033.20  ?   ?    72.200   30.393 0.000000 30.39260 
1 1 1  -12   38    4 o  113.657   35.160  8043.08  3575.55   0.0000   0.0000  8043.08  3575.55  ?   ?   113.657   35.160 0.000000 35.15997 
1 1 1  -12   38    5 o  188.512   33.719 20680.84  4971.72   0.0000   0.0000 20680.84  4971.72  ?   ?   188.512   33.719 0.000000 33.71881 
1 1 1  -12   38    6 o  198.972   33.119 23270.90  5162.55   0.0000   0.0000 23270.90  5162.55  ?   ?   198.972   33.119 0.000000 33.11880 
1 1 1  -12   38    7 o   61.774   26.513  1387.94  2386.20   98.907  9673.65  1471.45  2462.28   76.571   38.216   62.670   26.916 13.90042 46.74268 
1 1 1  -12   38    8 o  108.493   33.775  8098.04  3293.53 19378.79 10833.28  6949.20  3457.17   96.344   46.444   97.154   34.684 -0.8097839 57.96627 
1 1 1  -12   38    9 o  110.864   32.099  8357.41  3055.40  2310.24 11387.87  8826.49  3171.70   72.554   36.843  113.152   32.688 -40.59784 49.25329 
1 1 1  -12   38   10 o   55.200   24.814  993.709  2324.14 -4601.2881 10557.76  1278.65  2382.58   63.856   32.686   56.991   25.406 6.865677 41.39866 
1 1 1  -12   38   11 o   46.432   21.828 -230.3829  2104.47 -2775.4480  9648.45 -103.2554  2156.39   60.427   30.955   47.354   22.208 13.07279 38.09745 
1 1 1  -12   40    1 o   84.885   34.813  5298.89  3834.82   0.0000   0.0000  5298.89  3834.82  ?   ?    84.885   34.813 0.000000 34.81290 
1 1 1  -12   40    2 o  160.087   41.756 19963.68  5484.25   0.0000   0.0000 19963.68  5484.25  ?   ?   160.087   41.756 0.000000 41.75558 
1 1 1  -12   40    3 o   98.953   37.953  8411.69  4274.63   0.0000   0.0000  8411.69  4274.63  ?   ?    98.953   37.953 0.000000 37.95261 
1 1 1  -12   40    4 o   48.675   23.446 -1744.8080  2747.62   0.0000   0.0000 -1744.8080  2747.62  ?   ?    48.675   23.446 0.000000 23.44580 
1 1 1  -12   40    5 o   87.097   35.542  6683.52  3972.07   0.0000   0.0000  6683.52  3972.07  ?   ?    87.097   35.542 0.000000 35.54165 
1 1 1  -12   40    6 o   56.823   26.546  531.192  3031.22   0.0000   0.0000  531.192  3031.22  ?   ?    56.823   26.546 0.000000 26.54646 
1 1 1  -12   40    7 o   73.326   31.532  4517.66  3387.01   0.0000   0.0000  4517.66  3387.01  ?   ?    73.326   31.532 0.000000 31.53193 
1 1 1  -12   40    8 o   66.728   29.696  3633.95  3240.44  7308.77 14445.03  3439.22  3325.19   65.359   33.692   65.681   29.588 -0.3216629 44.83958 
1 1 1  -12   42    1 o   69.823   32.411  5000.92  4404.26   0.0000   0.0000  5000.92  4404.26  ?   ?    69.823   32.411 0.000000 32.41060 
1 1 1  -12   42    2 o   47.970   23.935 -3338.9131  3783.81   0.0000   0.0000 -3338.9131  3783.81  ?   ?    47.970   23.935 0.000000 23.93470 
1 1 1  -11    1    3 o  289.849   10.312 34174.41  2426.97 34326.13  3429.49 34022.21  3435.03  289.841   14.620  288.540   14.711 1.301086 20.73967 
1 1 1  -11    1    4 o  707.313   34.291 206870.80 19693.93 213487.41 27854.98 200257.50 27847.87  710.606   48.567  687.178   50.258 23.42834 69.89056 
1 1 1  -11    1    5 o  480.977   16.523 94237.25  6452.66 94831.71  9124.80 93642.61  9126.07  481.685   23.330  478.635   23.482 3.050385 33.10174 
1 1 1  -11    1    6 o  277.273   10.002 31241.68  2251.87 31326.64  3183.50 31156.60  3185.75  277.156   14.194  276.396   14.244 0.7598572 20.10841 
1 1 1  -11    1    7 o  468.835   16.098 89415.40  6128.24 90502.50  8664.23 88327.07  8669.05  471.219   22.645  465.497   22.936 5.721527 32.23111 
1 1 1  -11    1    8 o  1349.54   52.920 753416.19 57989.11 750942.62 71022.19 758363.38 100439.20  1340.86   65.234  1324.97   93.969 15.88745 114.3925 
1 1 1  -11    1    9 o  1124.76   37.827 518319.00 34545.88 541648.81 48851.52 494982.00 48858.98  1144.97   52.547  1092.22   55.273 52.75281 76.26440 
1 1 1  -11    1   10 o  748.709   25.213 228645.80 15327.71 227395.70 21672.89 229896.91 21680.43  744.892   35.833  749.013   35.648 -4.121643 50.54528 
1 1 1  -11    1   11 o  1278.85   43.251 677361.12 44911.52 658223.81 63510.91 696502.69 63518.06  1245.54   63.004  1284.38   60.907 -38.83594 87.63034 
1 1 1  -11    1   12 o  679.648   33.099 191027.80 18265.82 192293.00 25831.48 189762.50 25832.07  673.919   47.511  669.255   47.852 4.664612 67.43245 
1 1 1  -11    1   13 o  546.825   18.814 122377.90  8353.46 129388.80 11812.19 115363.70 11814.96  560.241   25.967  527.784   27.666 32.45685 37.94339 
1 1 1  -11    1   14 o  250.408   9.3832 25516.58  1907.82 24968.28  2696.88 26065.85  2699.24  247.031   13.496  252.458   13.214 -5.426636 18.88799 
1 1 1  -11    1   15 o  227.629   8.8058 21087.68  1627.55 20779.69  2304.59 21394.13  2298.82  225.318   12.648  228.667   12.428 -3.348724 17.73199 
1 1 1  -11    1   16 o  525.248   18.063 113400.10  7703.42 112842.20 10892.37 113958.50 10896.18  520.651   25.765  523.280   25.645 -2.629272 36.35275 
1 1 1  -11    1   17 f  106.908   6.8361  4669.01  590.303  4675.20  842.329  4663.04  827.497  106.624   9.8404  106.508   9.6741 0.1169205 13.79936 
1 1 1  -11    1   18 o  251.596   9.6716 25843.62  1975.79 25973.86  2791.39 25712.86  2797.00  251.153   13.740  249.858   13.841 1.295135 19.50282 
1 1 1  -11    1   19 o  108.851   7.9574  4863.08  698.424  4683.13  972.167  5055.02  1004.04  106.182   11.457  110.383   11.365 -4.200211 16.13796 
1 1 1  -11    1   20 o  203.001   8.8250 16907.34  1454.62 17195.27  2038.33 16608.52  2076.50  203.332   12.405  199.636   12.879 3.696152 17.88182 
1 1 1  -11    1   21 o   26.122   10.720  100.219  363.942 -471.7657  500.185  743.729  530.537   23.044   10.772   42.445   13.600 -19.40096 17.34941 
1 1 1  -11    1   22 o   41.115   13.396  698.203  513.302  276.884  723.940  1124.16  727.915   37.242   15.183   50.996   15.879 -13.75440 21.96920 
1 1 1  -11    1   23 o  159.958   8.8201 10667.53  1141.13 10030.03  1630.72 11279.24  1597.39  152.578   13.296  162.591   12.188 -10.01299 18.03705 
1 1 1  -11    1   24 o   98.732   9.3831  4132.91  743.175  3625.38  1044.96  4652.35  1057.16   89.636   14.879  102.939   12.934 -13.30239 19.71467 
1 1 1  -11    1   25 o  127.173   10.603  7022.46  1084.90  7839.21  1509.06  6148.73  1560.81  130.930   14.435  112.898   17.600 18.03201 22.76253 
1 1 1  -11    1   26 o  156.947   11.515 11118.70  1457.19 11069.88  2033.30 11170.26  2089.39  147.862   17.261  147.673   17.783 0.1895142 24.78224 
1 1 1  -11    3    3 o  533.259   25.673 116753.00 11116.31 122414.00 15749.22 111132.50 15692.59  542.010   35.991  515.658   37.742 26.35242 52.15143 
1 1 1  -11    3    4 f  566.107   19.355 130820.60  8896.62 130815.80 12577.18 130825.30 12586.25  564.547   27.438  564.563   27.457 -0.1617432E-01 38.81594 
1 1 1  -11    3    5 o  499.038   17.191 101443.50  6965.86 103985.50  9843.02 98892.98  9859.43  504.451   24.031  491.228   24.799 13.22296 34.53233 
1 1 1  -11    3    6 o  947.199   32.077 367531.19 24670.44 369500.09 34878.23 365559.91 34900.32  945.487   45.432  940.330   45.710 5.157410 64.44730 
1 1 1  -11    3    7 o  648.780   22.030 171501.09 11605.34 173126.00 16403.33 169872.70 16421.54  650.695   31.047  644.502   31.380 6.192322 44.14292 
1 1 1  -11    3    8 o  1008.13   48.498 419005.50 39698.79 424824.31 56121.25 413177.91 56163.90  1005.06   69.191  990.588   70.284 14.47333 98.62663 
1 1 1  -11    3    9 o  401.240   13.826 65441.53  4504.43 65061.70  6362.12 65823.32  6378.36  399.826   19.597  402.162   19.533 -2.336670 27.66924 
1 1 1  -11    3   10 o  320.500   11.348 41743.94  2953.25 41982.41  4168.17 41503.55  4184.92  321.258   15.979  319.002   16.210 2.255615 22.76180 
1 1 1  -11    3   11 o  441.996   15.193 79525.57  5452.68 80136.59  7701.69 78911.52  7720.85  443.109   21.406  439.685   21.626 3.424042 30.42901 
1 1 1  -11    3   12 o  499.565   24.508 102410.00  9941.01 105328.30 14051.36 99485.58 14066.08  502.863   34.625  488.253   35.729 14.60995 49.75336 
1 1 1  -11    3   13 o  123.103   6.3646  6174.66  634.005  6139.51  894.674  6210.11  898.576  122.524   9.0572  123.232   9.0435 -0.7083130 12.79913 
1 1 1  -11    3   14 o  302.970   10.990 37387.46  2703.65 38803.84  3813.12 35955.51  3834.04  308.192   15.238  296.148   16.004 12.04459 22.09780 
1 1 1  -11    3   15 o  467.147   16.188 89344.07  6140.23 87713.54  8673.85 90981.96  8693.39  460.252   23.286  469.478   22.805 -9.226044 32.59312 
1 1 1  -11    3   16 o  493.359   16.991 99926.35  6806.50 100931.90  9619.09 98918.02  9632.60  493.110   24.024  488.039   24.308 5.071411 34.17680 
1 1 1  -11    3   17 o  114.825   6.9166  5384.25  641.853  5315.40  894.078  5457.46  922.000  113.752   9.7750  115.250   9.9502 -1.497414 13.94836 
1 1 1  -11    3   18 o  170.450   7.8061 11839.62  1080.36 12825.37  1527.59 10853.19  1528.12  176.797   10.692  162.412   11.666 14.38545 15.82383 
1 1 1  -11    3   19 o  255.373   9.9039 26718.98  2053.62 26565.33  2896.77 26874.25  2911.81  253.070   14.154  254.545   14.144 -1.474426 20.00981 
1 1 1  -11    3   20 o   96.096   8.1474  3810.13  629.728  3910.25  862.972  3696.09  920.997   96.686   11.200   93.649   12.418 3.036461 16.72273 
1 1 1  -11    3   21 o  127.816   7.7450  6730.56  800.008  6882.54  1112.53  6567.82  1151.22  128.397   10.771  125.183   11.453 3.214310 15.72201 
1 1 1  -11    3   22 o  166.696   8.6915 11517.43  1172.34 11932.67  1647.34 11091.34  1668.73  168.064   12.154  161.649   12.819 6.415298 17.66456 
1 1 1  -11    3   23 o  137.822   8.6736  7923.02  965.683  7202.09  1321.24  8749.83  1414.94  129.397   12.741  142.983   12.307 -13.58611 17.71425 
1 1 1  -11    3   24 o   62.406   11.512  1712.91  561.851  1822.54  744.076  1567.48  856.988   63.064   14.788   57.861   17.071 5.202690 22.58528 
1 1 1  -11    3   25 f   63.771   12.691  1852.99  634.039  2334.88  820.088  1136.93  999.681   70.516   14.795   50.051   18.535 20.46498 23.71534 
1 1 1  -11    3   26 o   38.515   13.978  653.544  564.189  1323.94  669.270 -992.8260  1048.82   51.491   15.056   30.432   14.614 21.05908 20.98235 
1 1 1  -11    5    2 o  709.820   50.360 213826.20 28836.58 213826.20 28836.58   0.0000   0.0000  709.820   50.360  ?   ?  0.000000 50.35995 
1 1 1  -11    5    3 o  419.787   20.639 71983.73  7034.76 69275.96  9965.88 74672.85  9931.50  409.320   30.199  425.355   28.928 -16.03503 41.81846 
1 1 1  -11    5    4 o  821.605   57.974 286218.91 38427.17 286218.91 38427.17   0.0000   0.0000  821.605   57.974  ?   ?  0.000000 57.97393 
1 1 1  -11    5    5 o  568.485   22.369 131826.91 10325.55 126962.50 17913.25 134247.41 12635.99  553.622   40.122  573.039   27.157 -19.41656 48.44866 
1 1 1  -11    5    6 o  323.054   11.596 42415.25  3041.66 43405.23  4296.87 41420.94  4306.26  326.637   16.201  318.629   16.703 8.008514 23.26943 
1 1 1  -11    5    7 o  279.780   10.004 31801.33  2272.71 32922.25  3203.66 30665.68  3224.64  284.577   13.865  274.250   14.533 10.32715 20.08555 
1 1 1  -11    5    8 o  378.309   15.228 58189.36  4677.77 60232.86  8053.44 57148.91  5746.53  383.479   26.018  374.281   18.971 9.198334 32.20017 
1 1 1  -11    5    9 o  1835.40   72.994 1416363.00 108781.40 1481125.00 188426.80 1383988.00 133225.20  1808.72  129.151  1794.58   91.736 14.13538 158.4154 
1 1 1  -11    5   10 f  366.106   12.795 54491.31  3803.42 53833.87  5366.55 55154.80  5391.21  363.634   18.176  368.076   18.039 -4.441925 25.60784 
1 1 1  -11    5   11 o  190.516   7.8037 14747.62  1207.17 16732.62  1698.32 12720.56  1716.22  202.607   10.358  176.432   12.052 26.17503 15.89165 
1 1 1  -11    5   12 o  1010.94   40.224 428095.31 33017.97 431630.09 40428.21 421014.69 57218.21  1007.22   49.434  966.492   73.462 40.72821 88.54542 
1 1 1  -11    5   13 o   76.764   6.2861  2410.62  388.374  2453.39  537.138  2363.76  562.208   77.177   8.7248   75.653   9.3514 1.523537 12.78947 
1 1 1  -11    5   14 o  464.579   16.188 88268.98  6106.40 84938.03  8620.08 91624.27  8651.51  453.323   23.499  471.699   22.589 -18.37665 32.59552 
1 1 1  -11    5   15 o  152.009   7.1035  9396.72  876.757 10410.31  1221.35  8319.05  1259.36  159.615   9.4661  142.443   10.973 17.17159 14.49192 
1 1 1  -11    5   16 o  322.998   11.615 42585.46  3046.20 39842.64  4292.41 45368.40  4323.70  311.001   17.063  332.578   16.011 -21.57635 23.39906 
1 1 1  -11    5   17 f  231.335   8.9790 21812.49  1686.59 20732.86  2368.93 22922.29  2401.80  224.678   13.041  236.376   12.559 -11.69846 18.10550 
1 1 1  -11    5   18 o   39.040   10.398  644.955  335.518  677.825  423.346  589.437  550.191   40.412   12.017   39.939   13.872 0.4732513 18.35309 
1 1 1  -11    5   19 o   85.318   8.0933  3000.82  553.954  3025.54  723.298  2965.76  861.526   85.196   10.691   83.806   13.089 1.390099 16.90021 
1 1 1  -11    5   20 o  157.254   7.9928 10159.07  1017.21  9317.28  1392.81 11121.29  1489.11  149.613   11.555  163.622   11.277 -14.00922 16.14598 
1 1 1  -11    5   21 o  167.221   8.1775 11499.81  1110.32 11395.60  1562.40 11606.14  1578.19  164.963   11.741  166.482   11.750 -1.519089 16.61100 
1 1 1  -11    5   22 o   80.987   9.2063  2751.93  594.635  3062.07  780.445  2322.72  918.110   84.707   11.656   72.068   16.096 12.63895 19.87328 
1 1 1  -11    5   23 o   68.671   10.542  2024.16  569.025  1224.87  712.806  3428.37  944.792   52.319   15.601   88.432   13.593 -36.11339 20.69238 
1 1 1  -11    5   24 o   23.823   10.621 -128.5570  416.502   14.837  498.645 -459.4601  757.490   28.090   12.089   29.494   13.602 -1.404261 18.19822 
1 1 1  -11    5   25 o   60.923   12.426  1693.27  593.833  997.895  720.568  3165.32  1048.40   46.554   15.888   80.929   16.514 -34.37499 22.91550 
1 1 1  -11    5   26 o  112.103   10.356  5609.91  932.014  5323.98  1191.47  6060.72  1496.05  105.070   14.340  108.060   17.661 -2.990051 22.74990 
1 1 1  -11    7    1 o  517.843   25.393 109775.70 10677.02 109212.70 15118.80 110335.80 15080.45  513.026   36.533  515.757   36.241 -2.731079 51.45930 
1 1 1  -11    7    2 o  421.696   20.964 72577.04  7178.03 68521.23 10181.86 76584.45 10120.96  407.333   31.018  431.187   29.078 -23.85388 42.51636 
1 1 1  -11    7    3 o  443.892   21.813 80403.14  7861.94 79163.71 11148.63 81629.26 11088.54  438.148   31.548  445.097   30.873 -6.949097 44.14102 
1 1 1  -11    7    4 o  487.173   23.891 96858.64  9450.59 89144.63 13389.80 104516.10 13340.63  464.549   35.773  503.876   32.786 -39.32730 48.52453 
1 1 1  -11    7    5 o  1132.04   54.745 532755.38 50320.44 538044.19 71187.85 527473.81 71139.87  1121.41   78.679  1109.72   79.478 11.69287 111.8356 
1 1 1  -11    7    6 o  1210.72   58.461 609474.38 57471.51 622260.81 81300.48 596702.88 81253.52  1206.21   83.524  1179.72   85.403 26.48657 119.4566 
1 1 1  -11    7    7 o  559.722   26.713 127779.50 12140.65 143144.59 17196.26 112509.90 17142.80  590.230   36.055  522.086   40.762 68.14465 54.41972 
1 1 1  -11    7    8 o  258.745   10.717 27200.09  2251.53 24553.65  3845.58 28580.45  2777.33  244.857   19.504  265.186   12.898 -20.32851 23.38341 
1 1 1  -11    7    9 o  338.440   11.517 46547.13  3164.78 44819.67  4466.44 48288.95  4484.96  331.927   16.572  344.557   16.031 -12.62933 23.05709 
1 1 1  -11    7   10 o  881.939   28.695 318471.81 20548.90 324111.19 29051.43 312825.41 29069.66  886.050   40.380  870.213   41.141 15.83771 57.64695 
1 1 1  -11    7   11 o  299.664   12.529 36547.58  3048.58 36911.89  5320.35 36369.50  3719.81  299.587   22.026  298.350   15.408 1.237396 26.88017 
1 1 1  -11    7   12 o  572.498   19.974 134214.30  9285.07 133607.30 13119.71 134823.41 13142.46  568.710   28.412  571.320   28.331 -2.610168 40.12292 
1 1 1  -11    7   13 o  394.773   14.183 63591.93  4546.34 63009.21  6415.19 64179.86  6443.89  391.427   20.254  395.080   20.154 -3.652954 28.57315 
1 1 1  -11    7   14 o  299.017   11.093 36431.53  2693.23 38320.85  3793.78 34512.01  3823.99  306.177   15.260  289.976   16.307 16.20193 22.33394 
1 1 1  -11    7   15 o  190.583   7.9697 14779.07  1233.29 15164.09  1727.42 14378.79  1761.33  192.532   11.097  187.392   11.633 5.139694 16.07716 
1 1 1  -11    7   16 o  288.858   10.681 34038.95  2505.20 34169.72  3521.98 33905.03  3564.17  288.338   15.096  287.158   15.342 1.179443 21.52336 
1 1 1  -11    7   17 o  327.928   12.236 44000.45  3258.09 44776.17  4587.60 43211.04  4627.93  329.124   17.227  323.142   17.706 5.981293 24.70317 
1 1 1  -11    7   18 o  337.835   12.699 46876.55  3483.60 48500.27  4907.08 45226.80  4946.27  341.327   17.767  329.195   18.581 12.13223 25.70830 
1 1 1  -11    7   19 o  106.494   7.5165  4655.81  645.781  3943.14  841.032  5679.60  1008.03   97.344   10.824  117.061   10.725 -19.71617 15.23717 
1 1 1  -11    7   20 o  155.089   8.2561  9896.58  1035.93 11151.30  1410.80  8428.55  1526.02  163.948   10.656  141.508   13.443 22.44051 17.15379 
1 1 1  -11    7   21 f  177.090   8.9618 12973.12  1284.43 12890.80  1748.23 13069.66  1893.36  175.064   12.379  175.778   13.366 -0.7141113 18.21749 
1 1 1  -11    7   22 o   76.165   9.5782  2446.98  579.245  2083.70  705.132  3200.86  1015.77   69.102   13.046   85.144   15.253 -16.04247 20.07088 
1 1 1  -11    7   23 o  141.670   8.8059  8394.96  1007.94  8275.88  1341.49  8549.34  1527.44  138.929   12.010  140.199   13.588 -1.270645 18.13525 
1 1 1  -11    7   24 o  163.511   9.1857 11306.63  1214.61 10909.64  1684.17 11736.90  1753.35  157.211   13.319  163.052   13.361 -5.840942 18.86543 
1 1 1  -11    7   25 o   56.871   12.323  1485.40  552.630  1252.78  641.324  2156.29  1089.11   51.230   14.669   64.214   19.316 -12.98342 24.25468 
1 1 1  -11    7   26 o   79.341   10.727  2860.58  673.319  2739.96  800.512  3152.30  1244.90   75.329   13.588   73.634   20.209 1.694969 24.35223 
1 1 1  -11    9    1 o  751.600   29.579 231146.91 18051.42 215157.30 31253.94 239151.00 22112.64  716.729   54.103  763.145   35.686 -46.41589 64.81236 
1 1 1  -11    9    2 o  326.416   16.762 43474.41  4427.69 45159.33  6286.59 41815.91  6237.11  331.914   23.478  319.222   24.244 12.69153 33.74912 
1 1 1  -11    9    3 f  792.941   38.211 258262.41 24601.55 260383.50 34829.00 256150.30 34754.82  789.670   54.656  783.055   55.011 6.615051 77.54654 
1 1 1  -11    9    4 o  152.784   9.6136  9520.86  1186.55  8483.35  1713.84 10475.96  1644.38  143.666   14.909  160.032   12.761 -16.36584 19.62439 
1 1 1  -11    9    5 f  123.513   8.4808  6225.74  845.372  6260.96  1221.14  6193.33  1171.48  123.506   12.342  122.879   11.890 0.6265106 17.13777 
1 1 1  -11    9    6 o  122.158   8.3738  6089.55  825.575  6236.60  1199.47  5957.18  1138.03  123.289   12.139  120.506   11.781 2.783096 16.91640 
1 1 1  -11    9    7 o  376.652   19.011 57872.66  5795.41   0.0000   0.0000 57872.66  5795.41  ?   ?   376.652   19.011 0.000000 19.01122 
1 1 1  -11    9    8 o  860.211   34.336 302876.69 23982.73 292159.09 41613.28 308207.00 29346.67  835.182   61.803  866.067   41.732 -30.88562 74.57295 
1 1 1  -11    9    9 o  1303.23   51.271 705859.38 54254.08 756442.69 94042.74 680625.69 66422.02  1317.02   88.455  1269.65   64.644 47.37183 109.5588 
1 1 1  -11    9   10 o  458.078   15.654 85473.48  5822.52 89959.11  8230.85 80980.34  8237.74  469.241   21.603  444.457   22.904 24.78317 31.48482 
1 1 1  -11    9   11 o  499.092   24.256 102277.70  9829.50 108698.10 13955.72 95957.06 13846.94  510.766   33.842  479.005   35.862 31.76068 49.30928 
1 1 1  -11    9   12 o  478.348   16.337 93476.72  6345.36 92355.29  8968.55 94600.73  8978.85  473.949   23.305  479.741   23.050 -5.792603 32.77872 
1 1 1  -11    9   13 o  553.637   19.156 125673.50  8611.29 128415.50 12172.94 122926.70 12183.49  556.986   26.916  544.000   27.674 12.98627 38.60466 
1 1 1  -11    9   14 o   93.309   6.2270  3554.77  469.073  3719.35  644.068  3368.88  684.516   95.238   8.4154   90.477   9.4575 4.761955 12.65948 
1 1 1  -11    9   15 o  414.104   14.637 70183.96  4921.53 69749.46  6951.68 70620.58  6968.54  410.595   20.921  413.188   20.838 -2.593018 29.52802 
1 1 1  -11    9   16 o   83.872   6.7920  2880.58  458.574  3458.37  596.761  2047.41  716.607   91.806   8.0881   69.619   13.159 22.18749 15.44608 
1 1 1  -11    9   17 o  192.264   7.7149 15059.01  1204.39 13679.66  1677.69 16525.80  1730.05  182.535   11.376  200.822   10.648 -18.28769 15.58180 
1 1 1  -11    9   18 o  327.885   11.610 44139.04  3091.02 45330.94  4372.39 42948.25  4370.35  330.500   16.293  321.062   16.823 9.438538 23.41972 
1 1 1  -11    9   19 o   44.370   9.9260  840.510  348.657  942.427  398.605  508.573  719.360   46.931   10.698   40.997   15.606 5.933121 18.92078 
1 1 1  -11    9   20 o  120.644   7.7685  5993.75  756.943  6003.65  1018.33  5981.53  1131.56  120.034   10.556  119.424   11.825 0.6099014 15.85071 
1 1 1  -11    9   21 o   20.587   9.2267 -137.3126  318.770   24.866  340.664 -1278.7540  903.766   23.978   10.144   27.980   13.469 -4.001947 16.86220 
1 1 1  -11    9   22 o   30.507   11.581  290.166  395.429  131.542  438.440  981.722  915.459   28.592   11.754   49.642   17.835 -21.04965 21.35967 
1 1 1  -11    9   23 o   72.362   9.8540  2237.57  563.923  2133.52  659.203  2521.50  1088.94   69.795   12.069   73.056   18.375 -3.260315 21.98373 
1 1 1  -11    9   24 o   38.933   12.678  656.495  459.782  693.838  500.072  452.360  1169.19   40.033   13.231   44.438   18.797 -4.405674 22.98630 
1 1 1  -11    9   25 o   30.658   11.915  310.854  425.475  170.231  457.694  1205.51  1154.45   28.845   11.948   50.479   19.625 -21.63440 22.97573 
1 1 1  -11    9   26 o   25.746   11.077   66.131  418.450   66.131  418.450   0.0000   0.0000   25.746   11.077  ?   ?  0.000000 11.07742 
1 1 1  -11   11    1 o  1565.05  115.587 1091749.00 145845.41   0.0000   0.0000 1091749.00 145845.41  ?   ?   1565.05  115.587 0.000000 115.5871 
1 1 1  -11   11    2 f  846.297   40.913 294124.00 28113.97 286878.81 39790.25 301346.59 39728.14  828.579   59.540  849.954   57.911 -21.37555 83.05839 
1 1 1  -11   11    3 o  187.678   11.178 14362.61  1695.73 13831.94  2427.01 14868.75  2370.25  183.684   16.447  190.599   15.449 -6.914780 22.56452 
1 1 1  -11   11    4 o  487.382   23.863 96787.75  9443.36 97863.73 13403.47 95727.21 13306.92  488.013   34.039  482.607   34.179 5.405975 48.23778 
1 1 1  -11   11    5 o  344.699   17.663 48456.88  4926.91 46425.92  7023.97 50424.04  6912.76  336.482   25.908  350.939   24.411 -14.45700 35.59706 
1 1 1  -11   11    6 o  619.121   29.765 156485.59 14962.87 162559.09 21215.42 150474.30 21106.38  627.979   41.847  603.745   43.343 24.23444 60.24780 
1 1 1  -11   11    7 o  457.175   18.485 85056.93  6861.81 88478.72 12005.47 83396.77  8362.33  464.089   32.056  451.833   22.868 12.25632 39.37682 
1 1 1  -11   11    8 o  826.732   31.558 279918.31 21184.53 317490.50 36807.35 261306.91 25905.38  872.466   52.197  795.644   40.230 76.82153 65.90102 
1 1 1  -11   11    9 o  241.321   10.739 23677.50  2104.16 23326.76  3773.22 23835.81  2534.92  238.315   19.675  241.700   12.964 -3.384842 23.56232 
1 1 1  -11   11   10 o  309.293   13.025 38955.61  3271.06 37949.34  5782.41 39429.16  3966.77  303.324   23.665  310.552   15.783 -7.228180 28.44578 
1 1 1  -11   11   11 o   56.306   8.2777  1316.58  367.147  581.872  803.493  1510.46  412.758   44.055   16.556   60.331   8.6755 -16.27602 18.69174 
1 1 1  -11   11   12 o  318.373   13.682 41347.27  3536.92 34269.47  6242.85 44693.09  4292.25  286.649   27.146  330.718   15.984 -44.06860 31.50200 
1 1 1  -11   11   13 o  451.034   15.947 83209.84  5840.34 84004.82  8258.92 82414.65  8260.05  451.513   22.528  446.567   22.857 4.945251 32.09245 
1 1 1  -11   11   14 o  306.069   11.369 38202.64  2825.29 37454.17  3994.85 38951.63  3996.26  301.904   16.358  307.967   16.037 -6.063538 22.90733 
1 1 1  -11   11   15 o  300.873   10.736 36926.67  2622.80 34144.76  3700.20 39735.79  3718.25  288.083   15.880  311.461   14.703 -23.37796 21.64126 
1 1 1  -11   11   16 o  198.974   8.1421 16126.64  1315.44 16881.68  1851.55 15357.16  1869.19  202.962   11.280  193.437   11.959 9.525406 16.43957 
1 1 1  -11   11   17 o  137.511   7.1629  7723.97  797.001  8071.01  1084.63  7316.67  1175.05  140.245   9.5822  133.273   10.956 6.972733 14.55488 
1 1 1  -11   11   18 o   68.220   7.7759  1925.11  423.032  1852.36  513.406  2078.93  746.574   66.537   9.7961   69.756   13.670 -3.218994 16.81758 
1 1 1  -11   11   19 o  143.287   7.3269  8421.05  849.588  7532.71  1157.59  9458.22  1250.81  134.714   10.670  151.163   10.251 -16.44885 14.79672 
1 1 1  -11   11   20 o  174.810   8.1236 12559.99  1153.06 12568.19  1600.60 12551.14  1662.51  173.484   11.427  173.165   11.896 0.3188477 16.49519 
1 1 1  -11   11   21 o   66.868   9.1174  1883.43  482.124  2274.82  541.047  374.456  1062.37   73.556   9.2645   44.179   18.244 29.37721 20.46139 
1 1 1  -11   11   22 f   25.163   10.543   60.196  362.199 -58.2566  395.415  677.701  902.818   24.309   10.611   45.044   17.398 -20.73541 20.37868 
1 1 1  -11   11   23 o   21.791   9.5500 -57.4135  323.161   46.268  341.942 -924.2354  988.705   24.164   10.190   31.261   14.777 -7.097370 17.94976 
1 1 1  -11   11   24 o   78.996   10.019  2708.32  628.193  2593.49  698.854  3191.56  1433.66   76.457   11.623   77.376   21.856 -0.9190903 24.75466 
1 1 1  -11   11   25 o   64.105   11.263  1871.30  564.878  1782.05  602.183  2525.37  1630.25   61.821   12.428   63.633   23.648 -1.812393 26.71468 
1 1 1  -11   13    1 o  656.322   25.960 175588.41 13834.63 156432.41 23979.85 185145.41 16937.70  614.597   48.445  673.372   30.979 -58.77472 57.50330 
1 1 1  -11   13    3 o  1036.14   50.375 442549.00 42381.16 413350.91 59985.88 471650.31 59886.26  989.680   75.210  1060.16   69.963 -70.47949 102.7198 
1 1 1  -11   13    4 o  387.100   19.703 61138.27  6172.50 58652.30  8781.12 63566.32  8678.25  378.038   28.824  393.854   27.305 -15.81598 39.70435 
1 1 1  -11   13    5 o  382.873   27.449 60112.95  8476.59   0.0000   0.0000 60112.95  8476.59  ?   ?   382.873   27.449 0.000000 27.44857 
1 1 1  -11   13    6 o  336.003   16.796 45932.68  4582.23 52748.04  6556.90 39426.95  6406.22  359.055   22.606  309.807   25.699 49.24756 34.22643 
1 1 1  -11   13    7 o  190.036   11.241 14730.67  1726.78 15869.46  2516.86 13717.92  2373.51  196.834   15.883  182.882   16.150 13.95284 22.65146 
1 1 1  -11   13    8 o  829.825   34.107 283894.69 22981.05 275254.31 39966.09 288162.81 28089.26  801.178   61.917  832.978   41.531 -31.79993 74.55519 
1 1 1  -11   13    9 o  475.054   20.318 92297.46  7837.17 83121.85 13731.42 96730.52  9544.42  445.144   38.365  485.583   24.207 -40.43839 45.36406 
1 1 1  -11   13   10 o  350.792   17.298 50285.88  4927.15 53788.13  7122.47 47071.70  6823.25  360.837   24.454  337.295   25.094 23.54196 35.03845 
1 1 1  -11   13   11 o  240.431   10.232 23529.41  1997.55 27892.16  3618.29 21616.81  2395.72  260.607   17.196  229.923   12.885 30.68477 21.48750 
1 1 1  -11   13   12 f  170.848   8.5004 11874.39  1179.19 13095.38  2213.76 11390.73  1393.31  178.345   15.440  166.934   10.330 11.41138 18.57662 
1 1 1  -11   13   13 o  393.552   16.501 63442.94  5273.07 56369.56  9304.90 66789.16  6399.94  365.409   31.675  403.075   19.555 -37.66635 37.22462 
1 1 1  -11   13   14 o  336.090   13.970 46204.80  3812.25 49451.73  6805.32 44719.91  4602.13  344.221   24.509  329.561   17.258 14.65958 29.97535 
1 1 1  -11   13   15 o  338.886   14.515 47076.33  3994.04 43862.63  7118.62 48552.80  4825.08  322.101   27.482  343.026   17.380 -20.92474 32.51633 
1 1 1  -11   13   16 o  349.872   14.872 50335.43  4224.98 50042.66  7538.64 50469.50  5101.45  342.790   27.312  348.845   18.072 -6.055206 32.74949 
1 1 1  -11   13   17 o  202.749   7.7690 16772.16  1278.98 14837.78  1819.81 18660.24  1797.90  189.713   11.874  213.442   10.374 -23.72908 15.76712 
1 1 1  -11   13   18 o  183.840   8.4971 13841.84  1268.38 14328.04  1777.62 13337.56  1810.36  185.924   11.837  179.135   12.525 6.788727 17.23343 
1 1 1  -11   13   19 o   37.434   9.3609  599.442  283.778  950.574  320.758 -665.4129  608.783   47.382   8.6562   24.659   11.638 22.72328 14.50396 
1 1 1  -11   13   20 o   81.241   7.8999  2739.11  514.521  2524.11  619.197  3218.74  924.818   77.418   10.090   86.447   13.627 -9.029068 16.95580 
1 1 1  -11   13   21 o  102.992   8.1871  4409.34  679.004  4202.50  841.893  4794.27  1148.51   99.766   10.553  105.293   13.763 -5.526497 17.34332 
1 1 1  -11   13   22 o   72.286   8.7164  2205.38  501.280  2462.72  562.841  1218.26  1102.35   76.254   9.2819   53.874   19.541 22.38018 21.63327 
1 1 1  -11   13   23 o  172.676   9.0620 12586.72  1266.12 11280.73  1675.83 14323.63  1932.63  160.259   12.990  180.366   13.290 -20.10744 18.58426 
1 1 1  -11   13   24 o   21.990   9.7055 -65.0189  339.220 -227.8861  354.138  1746.81  1181.18   20.291   9.3369   58.100   20.317 -37.80925 22.35955 
1 1 1  -11   13   25 o   51.017   11.978  1229.55  487.718  980.374  511.086  3768.96  1631.57   45.034   13.154   75.948   23.793 -30.91344 27.18717 
1 1 1  -11   15    1 o  864.287   34.133 305550.81 23953.67 273900.41 41522.99 321337.19 29325.13  808.502   63.769  884.912   40.813 -76.41052 75.71130 
1 1 1  -11   15    2 o  199.635   10.197 16233.56  1647.34 16284.77  2857.29 16208.07  2016.15  199.275   17.848  199.311   12.522 -0.3610229E-01 21.80243 
1 1 1  -11   15    3 o  658.801   32.139 177493.80 17192.19 175010.00 24369.41 179954.91 24257.84  650.024   46.478  659.434   45.584 -9.409912 65.10130 
1 1 1  -11   15    4 o  753.371   52.712 236535.80 32041.51   0.0000   0.0000 236535.80 32041.51  ?   ?   753.371   52.712 0.000000 52.71220 
1 1 1  -11   15    5 o  458.044   22.670 85586.45  8431.45 89002.14 12000.69 82256.86 11848.51  464.927   31.984  446.693   32.899 18.23425 45.88386 
1 1 1  -11   15    6 o  689.808   33.245 195709.00 18620.63 207225.70 26419.99 184341.80 26247.93  704.080   46.475  662.776   49.124 41.30450 67.62480 
1 1 1  -11   15    7 o  560.306   26.710 128840.10 12151.74 147213.59 17282.72 110875.60 17089.23  595.330   35.922  514.443   41.259 80.88647 54.70505 
1 1 1  -11   15    8 f  523.565   20.417 112175.00  8679.40 128873.50 15252.00 104177.50 10555.14  556.359   33.924  502.692   25.948 53.66727 42.71040 
1 1 1  -11   15    9 o  139.362   10.178  7944.91  1143.74  4891.31  1864.16  9788.30  1448.39  107.258   22.139  154.611   11.622 -47.35216 25.00422 
1 1 1  -11   15   10 f  276.925   11.715 31238.99  2634.23 32642.70  4781.46 30627.27  3156.45  281.255   21.091  273.612   14.257 7.642334 25.45768 
1 1 1  -11   15   11 o  536.215   23.184 118478.80 10094.13 99899.11 17708.66 127421.10 12285.38  480.310   45.969  554.509   27.286 -74.19885 53.45707 
1 1 1  -11   15   12 o   95.655   7.8915  3747.31  607.448  2894.40  1344.73  3965.97  680.875   82.286   20.261   98.346   8.6133 -16.06017 22.01612 
1 1 1  -11   15   13 o   99.236   8.0941  4034.27  646.508  5093.39  1346.12  3716.73  737.082  110.481   15.427   95.027   9.6883 15.45375 18.21663 
1 1 1  -11   15   14 o  458.618   18.746 86704.02  6980.85 88369.35 12361.77 85924.29  8458.70  454.292   33.754  454.273   23.007 0.1907349E-01 40.84911 
1 1 1  -11   15   15 o  118.090   8.2960  5710.06  790.415  7092.76  1687.16  5321.25  894.672  130.282   16.306  113.782   9.7790 16.50055 19.01357 
1 1 1  -11   15   16 o   37.081   12.434  530.314  441.269  341.113  1308.31  554.600  468.735   49.120   20.261   38.014   12.815 11.10607 23.97383 
1 1 1  -11   15   17 o   37.131   14.127  408.009  589.244 -2104.4351  1869.66  685.083  620.886   42.445   20.139   42.585   14.739 -0.1400375 24.95636 
1 1 1  -11   15   18 o   83.789   11.033  2948.12  732.393  1788.26  1909.66  3148.14  793.034   68.863   25.594   86.491   11.583 -17.62776 28.09307 
1 1 1  -11   15   19 o   65.184   15.040  1864.83  779.838  955.682  2303.66  1982.51  828.770   64.298   26.734   67.126   15.516 -2.828423 30.91035 
1 1 1  -11   15   20 o  148.055   11.531  9229.65  1375.21  8333.57  2956.83  9476.98  1553.46  129.283   28.894  149.355   12.938 -20.07109 31.65837 
1 1 1  -11   15   21 o   32.926   14.701 -229.9609  801.210 -301.9210  2135.94 -218.1777  864.322   52.538   23.686   34.376   15.315 18.16245 28.20614 
1 1 1  -11   15   22 o   72.644   17.429  2476.12  1014.86  1709.97  2670.29  2605.47  1097.19   66.672   28.315   74.080   18.339 -7.407501 33.73482 
1 1 1  -11   15   23 o  107.806   16.680  5472.54  1412.97   0.0000   0.0000  5472.54  1412.97  ?   ?   107.806   16.680 0.000000 16.68041 
1 1 1  -11   15   24 o   57.415   21.940  1813.30  1425.24   0.0000   0.0000  1813.30  1425.24  ?   ?    57.415   21.940 0.000000 21.93991 
1 1 1  -11   17    1 o  148.259   11.194  8985.73  1337.66   0.0000   0.0000  8985.73  1337.66  ?   ?   148.259   11.194 0.000000 11.19436 
1 1 1  -11   17    2 o  371.527   19.645 56422.96  5905.27   0.0000   0.0000 56422.96  5905.27  ?   ?   371.527   19.645 0.000000 19.64525 
1 1 1  -11   17    3 o  364.163   19.091 54213.91  5625.29 53733.35  8029.10 54677.20  7883.61  361.183   27.587  364.501   26.826 -3.317566 38.47904 
1 1 1  -11   17    4 o  245.193   14.168 24554.19  2808.58 24425.19  4062.77 24672.27  3886.92  243.717   20.727  245.106   19.697 -1.388565 28.59341 
1 1 1  -11   17    5 o  786.835   38.386 257139.20 24523.88 265475.50 34789.16 248904.80 34575.84  788.806   54.654  762.604   56.235 26.20178 78.41858 
1 1 1  -11   17    6 o  137.516   10.359  7735.96  1148.14  9747.36  1748.99  6212.78  1521.99  154.023   14.143  122.444   15.668 31.57915 21.10706 
1 1 1  -11   17    7 o   25.262   10.032  133.480  307.269 -696.2102  662.959  360.470  346.763   26.221   12.303   31.586   11.010 -5.364611 16.50998 
1 1 1  -11   17    8 o  379.339   28.678 59837.86  8767.85 59837.86  8767.85   0.0000   0.0000  379.339   28.678  ?   ?  0.000000 28.67789 
1 1 1  -11   17    9 o  300.880   13.973 36934.49  3413.65 31006.14  6185.08 39531.38  4093.60  272.211   28.402  310.587   16.289 -38.37527 32.74129 
1 1 1  -11   17   10 o  542.041   22.141 120936.30  9744.59 116175.30 17174.40 123196.70 11833.88  521.364   40.898  545.382   26.723 -24.01807 48.85452 
1 1 1  -11   17   11 o  574.555   24.495 136607.80 11427.64 118536.90 20100.40 145238.30 13891.01  519.555   48.196  590.194   28.987 -70.63843 56.24102 
1 1 1  -11   17   12 o  362.353   16.108 53816.84  4739.22 44414.06  8522.78 58025.67  5702.08  322.856   32.974  375.636   18.695 -52.78061 37.90511 
1 1 1  -11   17   13 o  247.182   10.817 24929.64  2171.05 28194.94  4089.10 23647.85  2561.98  260.732   19.455  240.097   13.192 20.63512 23.50609 
1 1 1  -11   17   14 o   55.069   10.647  1280.02  458.843  5936.33  1333.33  654.500  488.692  119.529   14.003   40.539   13.060 78.99004 19.14817 
1 1 1  -11   17   15 o  337.902   14.341 46997.49  3934.62 50005.71  7177.63 45705.18  4704.45  342.377   26.013  331.672   17.531 10.70493 31.36938 
1 1 1  -11   17   16 o  202.617   10.353 16882.77  1697.62 21192.23  3437.45 15492.65  1952.32  223.823   19.097  193.505   12.492 30.31778 22.82027 
1 1 1  -11   17   17 o   70.697   12.161  2124.50  672.919 -364.1715  1935.88  2466.53  717.673   52.219   23.110   76.350   11.970 -24.13084 26.02569 
1 1 1  -11   17   18 o   57.787   14.497  1457.98  679.070 -585.5709  1963.27  1735.69  723.742   50.710   22.800   63.071   14.443 -12.36169 26.98938 
1 1 1  -11   17   19 o   94.052   12.082  3759.13  901.364  3441.26  2387.91  3811.95  973.372   84.864   28.922   94.380   13.051 -9.516960 31.73064 
1 1 1  -11   17   20 o  119.088   12.390  6053.58  1180.52  8906.22  3282.54  5629.81  1265.17  129.669   31.491  114.069   13.951 15.60014 34.44263 
1 1 1  -11   17   21 o   31.624   14.357 -355.0286  800.857 -1768.5081  2435.95 -183.7346  847.996   48.463   22.992   34.164   15.199 14.29827 27.56166 
1 1 1  -11   17   22 o   53.904   24.394  140.938  2290.54 -1668.6200  4572.25  747.234  2646.59   61.779   29.877   59.543   26.643 2.235828 40.03133 
1 1 1  -11   17   23 o   41.910   19.190 -229.6632  1470.69   0.0000   0.0000 -229.6632  1470.69  ?   ?    41.910   19.190 0.000000 19.18979 
1 1 1  -11   17   24 f   83.306   26.656  4958.21  2038.54   0.0000   0.0000  4958.21  2038.54  ?   ?    83.306   26.656 0.000000 26.65607 
1 1 1  -11   19    1 o  421.199   22.118 72817.28  7537.71 71534.36 10766.02 74050.85 10556.93  414.944   32.206  422.576   30.984 -7.631836 44.69053 
1 1 1  -11   19    2 o  569.414   28.450 133513.09 13153.59 135985.59 18708.65 131096.09 18497.13  569.142   40.754  558.626   41.068 10.51532 57.85693 
1 1 1  -11   19    3 f  369.814   19.543 56072.58  5847.62 58072.85  8381.10 54175.15  8162.79  374.536   27.757  361.613   28.019 12.92273 39.44028 
1 1 1  -11   19    4 o  446.761   22.793 82081.20  8240.93 86660.31 11765.80 77671.45 11546.18  456.324   31.957  431.466   33.213 24.85745 46.09015 
1 1 1  -11   19    5 o  371.288   19.673 56581.22  5909.79 55848.58  8493.66 57268.75  8228.07  366.617   28.764  371.648   27.461 -5.031219 39.76739 
1 1 1  -11   19    6 o  718.619   35.817 215747.50 20899.22 214231.30 29704.83 217233.70 29409.32  703.294   52.394  709.024   51.434 -5.729431 73.42033 
1 1 1  -11   19    7 f  367.575   28.383 56244.32  8405.45 56244.32  8405.45   0.0000   0.0000  367.575   28.383  ?   ?  0.000000 28.38268 
1 1 1  -11   19    8 o   54.827   12.844  1274.98  561.745  1315.38  1003.84  1256.57  677.811   57.635   18.732   54.599   14.882 3.035595 23.92359 
1 1 1  -11   19    9 o  396.273   21.063 64765.05  6752.94 60681.56  9727.38 68563.85  9382.18  379.734   31.842  405.094   28.710 -25.35956 42.87421 
1 1 1  -11   19   10 o  100.158   6.9559  4098.79  562.175  9331.27  1420.42  3126.93  612.161  150.816   11.691   87.215   8.7630 63.60154 14.61030 
1 1 1  -11   19   11 o  317.486   12.103 41148.41  3119.88 49877.14  5812.81 37616.41  3697.60  347.115   20.719  303.103   15.024 44.01132 25.59269 
1 1 1  -11   19   12 o  196.210   10.172 15741.35  1615.04 13252.49  3204.67 16588.67  1869.86  177.338   22.783  201.242   11.491 -23.90434 25.51654 
1 1 1  -11   19   13 o  309.363   13.300 39209.27  3340.77 39072.11  6219.64 39264.89  3960.61  304.249   25.409  308.604   15.860 -4.355347 29.95254 
1 1 1  -11   19   14 o   57.374   10.613  1388.57  476.188 -3963.4221  1418.81  2067.97  505.509   28.658   14.353   70.615   9.0227 -41.95673 16.95304 
1 1 1  -11   19   15 o   27.304   11.649  -4.5872  455.737  376.494  1354.78 -53.2121  483.939   49.951   20.613   27.446   11.861 22.50498 23.78161 
1 1 1  -11   19   16 o  125.524   9.8182  6513.70  992.713  2913.84  2662.66  7094.87  1069.85   84.008   30.385  130.959   10.140 -46.95131 32.03257 
1 1 1  -11   19   17 o  163.974   10.344 11148.61  1370.21 11246.74  3299.23 11128.16  1506.26  155.869   27.049  163.451   11.421 -7.582184 29.36178 
1 1 1  -11   19   18 o  119.678   10.691  5994.05  1027.99  7320.11  2870.02  5798.88  1101.04  121.982   29.336  117.349   11.712 4.632889 31.58762 
1 1 1  -11   19   19 o  174.271   11.402 12784.33  1604.56 13975.99  3848.82 12533.65  1765.28  167.040   29.454  171.791   12.746 -4.751053 32.09332 
1 1 1  -11   19   20 o  163.855   12.426 11490.98  1640.92  8111.80  3981.62 12182.35  1800.98  113.637   37.324  168.115   13.302 -54.47785 39.62326 
1 1 1  -11   19   21 o   60.739   17.909  1743.51  943.398  4358.08  2659.91  1367.29  1008.99   85.902   30.449   54.847   18.800 31.05585 35.78549 
1 1 1  -11   19   22 f   40.517   16.867  412.388  918.625   0.0000   0.0000  412.388  918.625  ?   ?    40.517   16.867 0.000000 16.86696 
1 1 1  -11   19   23 f   39.188   17.871 -107.8411  1258.90   0.0000   0.0000 -107.8411  1258.90  ?   ?    39.188   17.871 0.000000 17.87107 
1 1 1  -11   21    1 o  555.089   28.054 127540.20 12603.10   0.0000   0.0000 127540.20 12603.10  ?   ?   555.089   28.054 0.000000 28.05352 
1 1 1  -11   21    2 o  589.847   23.921 143041.20 11456.86 138312.30 19960.09 145364.70 13991.17  570.437   43.420  592.852   29.065 -22.41510 52.25003 
1 1 1  -11   21    3 o  223.813   11.949 20460.64  2163.67 18366.11  3786.35 21476.23  2636.54  210.319   22.522  229.031   14.248 -18.71181 26.65060 
1 1 1  -11   21    4 f  143.929   10.473  8476.50  1215.52  9526.55  2101.87  7948.87  1489.93  151.669   17.381  138.997   13.366 12.67203 21.92635 
1 1 1  -11   21    5 o  171.520   19.364 12205.08  2649.64 12205.08  2649.64   0.0000   0.0000  171.520   19.364  ?   ?  0.000000 19.36444 
1 1 1  -11   21    6 o  413.683   21.779 70551.21  7289.72 70764.77 10508.32 70353.11 10121.02  410.835   31.748  410.085   30.616 0.7502136 44.10527 
1 1 1  -11   21    7 o  683.120   33.642 195705.70 18660.45 209520.00 26602.31 182324.00 26182.42  694.643   47.449  645.163   50.380 49.48041 69.20662 
1 1 1  -11   21    8 o  234.996   14.640 22658.81  2779.52 21070.31  4119.72 23986.07  3765.76  224.836   22.886  240.865   19.420 -16.02917 30.01465 
1 1 1  -11   21    9 f  403.670   18.114 66924.33  5937.05 103057.40  8628.40 34434.08  8181.90  499.842   21.260  282.635   36.506 217.2065 42.24503 
1 1 1  -11   21   10 o  261.861   11.519 27985.58  2449.09 29611.93  4736.10 27391.95  2861.37  266.642   22.074  258.437   13.685 8.205505 25.97146 
1 1 1  -11   21   11 o  235.055   11.748 22570.67  2242.11 17271.43  4420.85 24405.74  2601.51  201.076   27.823  243.880   13.186 -42.80370 30.78958 
1 1 1  -11   21   12 o  171.549   9.8296 12048.81  1363.49  9102.98  2972.92 12833.52  1534.38  145.074   26.202  176.926   10.731 -31.85172 28.31473 
1 1 1  -11   21   13 o  376.486   17.051 58707.27  5212.48 49991.75  9610.59 62339.53  6204.29  334.834   35.910  386.136   19.856 -51.30182 41.03380 
1 1 1  -11   21   14 o   17.412   8.4769 -687.4025  384.475 -1201.8750  1310.93 -638.9854  402.160   37.351   17.452   18.419   8.8965 18.93141 19.58891 
1 1 1  -11   21   15 o  142.661   9.5424  8394.62  1098.98 11613.57  3125.24  7940.42  1173.96  161.609   24.592  138.495   10.518 23.11424 26.74707 
1 1 1  -11   21   16 o  119.399   10.114  5922.51  971.349  7838.74  3016.56  5700.83  1026.00  128.183   29.584  116.901   10.936 11.28136 31.54030 
1 1 1  -11   21   17 o   99.690   10.552  4166.17  841.127  6372.03  3040.62  3983.38  875.284  112.297   31.868   97.232   11.297 15.06580 33.81116 
1 1 1  -11   21   18 o   75.921   13.346  2503.39  792.695  3087.14  2628.36  2444.98  831.409   81.168   30.054   74.704   14.226 6.464409 33.25114 
1 1 1  -11   21   19 o  101.207   13.963  4468.92  1116.91  1529.64  3032.31  4930.29  1201.38   70.044   29.970  106.207   14.294 -36.16277 33.20409 
1 1 1  -11   21   20 o  166.683   11.942 11943.28  1605.57 12199.78  4131.99 11897.67  1742.49  139.435   36.183  165.460   13.077 -26.02525 38.47383 
1 1 1  -11   21   21 o   37.770   16.310  135.987  913.889 -2035.1440  3074.54  346.406  957.151   50.981   24.618   40.607   17.082 10.37397 29.96415 
1 1 1  -11   21   22 o   60.390   24.286  2038.27  1824.04   0.0000   0.0000  2038.27  1824.04  ?   ?    60.390   24.286 0.000000 24.28607 
1 1 1  -11   21   23 o   47.204   20.550  951.313  1474.48   0.0000   0.0000  951.313  1474.48  ?   ?    47.204   20.550 0.000000 20.55037 
1 1 1  -11   23    1 o  207.540   14.762 17674.26  2471.45   0.0000   0.0000 17674.26  2471.45  ?   ?   207.540   14.762 0.000000 14.76230 
1 1 1  -11   23    2 o  428.890   23.528 76005.75  8162.11 75191.49 11599.94 76804.20 11486.83  422.569   34.098  427.427   33.362 -4.858490 47.70463 
1 1 1  -11   23    3 o  224.880   16.220 20785.63  2941.90 20106.71  4168.10 21459.59  4152.87  219.613   23.753  227.183   22.822 -7.570648 32.93978 
1 1 1  -11   23    4 o   56.699   15.001  1360.42  701.328  1320.97  1220.00  1379.90  857.105   59.665   20.660   57.660   17.088 2.005215 26.81135 
1 1 1  -11   23    5 o  477.764   25.192 94717.33  9738.20 93133.16 13995.24 96204.26 13558.89  467.882   37.144  476.624   35.286 -8.741608 51.23310 
1 1 1  -11   23    6 o  243.277   15.775 24322.73  3099.33 20933.73  4631.44 27071.22  4170.88  223.195   26.046  255.743   20.251 -32.54745 32.99240 
1 1 1  -11   23    7 o  326.134   18.306 43828.05  4828.05 45983.55  7113.31 41986.86  6574.28  331.401   26.661  316.900   25.773 14.50143 37.08151 
1 1 1  -11   23    8 o  117.994   12.926  5755.76  1218.16  4125.59  2069.04  6620.61  1507.04   97.792   25.715  126.288   14.990 -28.49567 29.76498 
1 1 1  -11   23    9 o  188.651   13.755 14641.76  2092.51 15577.74  3291.37 14006.82  2710.89  192.885   21.375  183.523   18.442 9.362000 28.23080 
1 1 1  -11   23   10 o  163.658   10.424 10975.75  1378.03  6006.04  2992.01 12313.78  1552.50  116.801   31.024  173.283   11.092 -56.48232 32.94753 
1 1 1  -11   23   11 o  131.017   7.8672  7019.58  833.052 12887.07  2239.42  6077.23  897.458  176.174   15.824  121.705   9.1486 54.46818 18.27818 
1 1 1  -11   23   12 o   59.682   9.1329  1488.31  428.496  2546.78  1421.11  1382.46  449.411   76.753   21.788   57.315   10.022 19.43801 23.98264 
1 1 1  -11   23   13 o  147.745   9.6750  8984.51  1154.24  7942.25  2826.82  9193.05  1264.44  132.918   27.111  149.278   10.499 -16.36061 29.07295 
1 1 1  -11   23   14 f   91.358   9.7907  3469.07  714.957  1276.02  2871.52  3614.01  738.205   72.918   30.040   93.242   9.9020 -20.32445 31.63024 
1 1 1  -11   23   15 o   53.991   12.726  1261.51  548.767  469.271  2324.72  1308.26  564.727   61.751   26.326   54.969   12.878 6.782295 29.30754 
1 1 1  -11   23   16 o   32.379   12.916  239.440  511.422 -35.2137  2384.07  252.688  523.612   58.539   25.789   32.876   13.083 25.66327 28.91793 
1 1 1  -11   23   17 o  116.267   11.130  5697.29  1037.86  7637.44  3236.93  5474.98  1095.71  120.478   32.390  113.595   12.064 6.882935 34.56350 
1 1 1  -11   23   18 o  103.262   12.369  4578.17  1016.42  6228.89  3921.92  4459.31  1052.37  101.796   36.868  101.585   13.061 0.2100983 39.11317 
1 1 1  -11   23   19 o   46.406   16.925  857.965  828.556  2005.70  3265.08  778.969  856.595   71.527   30.859   45.519   17.097 26.00830 35.27848 
1 1 1  -11   23   20 o   41.719   17.141  464.190  931.861 -2233.0320  3550.80  663.697  965.710   54.262   26.263   44.496   17.749 9.765926 31.69798 
1 1 1  -11   23   21 f   78.240   26.555  3861.66  2012.93   0.0000   0.0000  3861.66  2012.93  ?   ?    78.240   26.555 0.000000 26.55521 
1 1 1  -11   23   22 o   54.931   23.638  1717.39  1905.98   0.0000   0.0000  1717.39  1905.98  ?   ?    54.931   23.638 0.000000 23.63819 
1 1 1  -11   25    1 o  314.940   27.603 41559.25  6987.36   0.0000   0.0000 41559.25  6987.36  ?   ?   314.940   27.603 0.000000 27.60271 
1 1 1  -11   25    2 o  214.802   23.802 19304.23  4081.53   0.0000   0.0000 19304.23  4081.53  ?   ?   214.802   23.802 0.000000 23.80177 
1 1 1  -11   25    3 o  421.857   34.599 75657.93 11746.88   0.0000   0.0000 75657.93 11746.88  ?   ?   421.857   34.599 0.000000 34.59863 
1 1 1  -11   25    4 f  206.141   15.700 17502.72  2608.17   0.0000   0.0000 17502.72  2608.17  ?   ?   206.141   15.700 0.000000 15.70039 
1 1 1  -11   25    5 o  381.907   21.392 60419.50  6606.73   0.0000   0.0000 60419.50  6606.73  ?   ?   381.907   21.392 0.000000 21.39153 
1 1 1  -11   25    6 o   86.537   20.123  3211.19  1387.18   0.0000   0.0000  3211.19  1387.18  ?   ?    86.537   20.123 0.000000 20.12282 
1 1 1  -11   25    7 o  136.529   18.117  7805.14  1958.82   0.0000   0.0000  7805.14  1958.82  ?   ?   136.529   18.117 0.000000 18.11716 
1 1 1  -11   25    8 o   83.613   17.051  2980.62  1118.40  2841.86  2250.05  3026.16  1288.89   84.006   28.078   83.934   19.313 0.7153320E-01 34.07890 
1 1 1  -11   25    9 o  107.998   15.535  4895.29  1323.08  6659.64  2525.73  4228.04  1553.25  123.545   26.001   99.230   19.969 24.31470 32.78442 
1 1 1  -11   25   10 o  160.426   14.807 10697.57  1907.01  8580.87  3303.98 11755.00  2335.26  138.572   30.216  167.511   17.424 -28.93866 34.88011 
1 1 1  -11   25   11 o  142.563   8.3710  8332.19  964.746  9778.30  2700.51  8120.63  1032.91  150.187   22.867  140.611   9.0957 9.575211 24.60952 
1 1 1  -11   25   12 f  119.369   9.8398  5887.99  945.210  1973.20  2645.38  6460.92  1012.02   76.662   29.734  125.033   10.053 -48.37019 31.38740 
1 1 1  -11   25   13 o  113.759   9.1327  5349.01  836.463  6399.24  3269.26  5275.44  865.263  114.861   33.188  112.880   9.5295 1.980743 34.52914 
1 1 1  -11   25   14 o  356.976   15.840 53938.71  4591.23 62968.35  9214.52 50956.64  5295.37  363.652   31.518  343.409   19.066 20.24384 36.83636 
1 1 1  -11   25   15 o  159.131   10.153 10535.32  1304.97 14536.00  4222.55 10112.86  1372.15  171.410   31.500  155.597   10.930 15.81245 33.34227 
1 1 1  -11   25   16 o  135.167   10.852  7673.93  1181.01  3781.54  4276.43  7995.31  1228.80   89.780   36.785  137.893   11.068 -48.11256 38.41407 
1 1 1  -11   25   17 o   50.471   15.427  1121.24  690.688 -467.1481  3941.25  1171.57  701.545   66.923   30.921   51.465   15.507 15.45802 34.59185 
1 1 1  -11   25   18 o   89.050   13.664  3499.73  956.455  7506.14  4569.01  3316.12  978.127  102.378   39.244   86.228   14.484 16.14944 41.83189 
1 1 1  -11   25   19 o   51.573   17.098  1220.06  834.888 -678.5616  3983.10  1307.31  853.856   61.264   29.162   53.065   17.277 8.198135 33.89585 
1 1 1  -11   25   20 o   79.846   24.972  3771.25  1798.06   0.0000   0.0000  3771.25  1798.06  ?   ?    79.846   24.972 0.000000 24.97175 
1 1 1  -11   25   21 o   59.582   24.924  2264.81  2019.69   0.0000   0.0000  2264.81  2019.69  ?   ?    59.582   24.924 0.000000 24.92406 
1 1 1  -11   27    1 o  522.333   28.289 114714.00 11952.96   0.0000   0.0000 114714.00 11952.96  ?   ?   522.333   28.289 0.000000 28.28860 
1 1 1  -11   27    2 o  619.891   32.203 163192.80 16153.18   0.0000   0.0000 163192.80 16153.18  ?   ?   619.891   32.203 0.000000 32.20347 
1 1 1  -11   27    3 o  180.628   14.362 13447.18  2089.00 16219.89  4162.15 12513.52  2415.25  195.135   26.992  173.592   17.368 21.54295 32.09706 
1 1 1  -11   27    4 o  283.209   15.589 33024.14  3570.96 33571.86  6478.28 32785.08  4279.88  280.935   28.807  281.276   18.849 -0.3409729 34.42565 
1 1 1  -11   27    5 o  294.843   21.197 36254.79  5040.77 29176.29  6916.51 44273.96  7361.75  259.076   33.675  322.730   28.382 -63.65390 44.04050 
1 1 1  -11   27    6 o  378.581   24.587 60352.43  7516.90 66684.37 10312.18 53173.50 10980.25  392.796   32.628  345.386   39.887 47.40970 51.53218 
1 1 1  -11   27    7 o  202.682   27.778 17760.03  4451.12 17760.03  4451.12   0.0000   0.0000  202.682   27.778  ?   ?  0.000000 27.77755 
1 1 1  -11   27   11 o  134.771   12.007  7571.13  1300.16   0.0000   0.0000  7571.13  1300.16  ?   ?   134.771   12.007 0.000000 12.00702 
1 1 1  -11   27   12 o  122.840   9.7610  6254.33  965.550   0.0000   0.0000  6254.33  965.550  ?   ?   122.840   9.7610 0.000000 9.760973 
1 1 1  -11   27   13 o   74.917   10.993  2374.64  648.830   0.0000   0.0000  2374.64  648.830  ?   ?    74.917   10.993 0.000000 10.99332 
1 1 1  -11   27   14 o   79.003   10.666  2638.86  666.738   0.0000   0.0000  2638.86  666.738  ?   ?    79.003   10.666 0.000000 10.66639 
1 1 1  -11   27   15 f   32.618   12.826  280.266  497.639   0.0000   0.0000  280.266  497.639  ?   ?    32.618   12.826 0.000000 12.82566 
1 1 1  -11   27   16 o   73.330   13.181  2357.46  755.958   0.0000   0.0000  2357.46  755.958  ?   ?    73.330   13.181 0.000000 13.18093 
1 1 1  -11   27   17 o  102.897   11.624  4562.63  954.128   0.0000   0.0000  4562.63  954.128  ?   ?   102.897   11.624 0.000000 11.62381 
1 1 1  -11   27   18 o   61.094   20.825  1831.41  1238.05   0.0000   0.0000  1831.41  1238.05  ?   ?    61.094   20.825 0.000000 20.82548 
1 1 1  -11   27   19 o   33.996   15.632 -395.2405  990.139   0.0000   0.0000 -395.2405  990.139  ?   ?    33.996   15.632 0.000000 15.63186 
1 1 1  -11   27   20 o   46.306   21.418  173.138  1898.24   0.0000   0.0000  173.138  1898.24  ?   ?    46.306   21.418 0.000000 21.41772 
1 1 1  -11   29    1 o  268.135   19.046 29966.13  4119.56   0.0000   0.0000 29966.13  4119.56  ?   ?   268.135   19.046 0.000000 19.04551 
1 1 1  -11   29    2 o  456.970   26.103 88625.35  9645.30   0.0000   0.0000 88625.35  9645.30  ?   ?   456.970   26.103 0.000000 26.10327 
1 1 1  -11   29    3 o  312.949   20.497 41020.27  5179.48   0.0000   0.0000 41020.27  5179.48  ?   ?   312.949   20.497 0.000000 20.49655 
1 1 1  -11   29    4 o  280.942   16.627 32785.16  3775.92 37130.63  7086.03 31061.98  4462.21  291.682   30.365  271.903   20.359 19.77853 36.55836 
1 1 1  -11   29    5 o  335.888   17.973 47104.02  4883.95 50182.38  8895.54 45775.67  5843.44  336.093   33.023  328.851   22.011 7.242706 39.68663 
1 1 1  -11   29    6 o  289.019   17.057 34912.70  3985.14 36194.38  7313.01 34371.32  4752.83  284.249   32.257  284.858   20.690 -0.6099548 38.32183 
1 1 1  -11   29    7 o  142.732   16.369  8599.90  1862.82 12095.11  3907.93  7572.20  2119.06  162.878   30.675  132.439   20.357 30.43900 36.81523 
1 1 1  -11   29    8 o   96.464   20.213  4091.72  1532.56 -3150.5481  3088.41  6457.71  1765.24   54.581   25.893  122.535   18.303 -67.95444 31.70901 
1 1 1  -11   29    9 o   34.914   15.864 -532.8442  980.650 -1976.3810  2418.54 -248.8194  1072.80   50.485   23.627   39.119   17.263 11.36690 29.26134 
1 1 1  -11   29   10 o  122.002   18.453  6475.96  1770.88  6099.35  3762.52  6583.13  2007.09  110.739   36.278  121.864   21.045 -11.12479 41.94002 
1 1 1  -11   29   11 o  285.939   15.671 34712.93  3624.50 26721.48  8109.09 36708.05  4051.76  215.597   47.596  292.839   17.115 -77.24243 50.57923 
1 1 1  -11   29   12 o  175.716   10.812 12875.33  1535.19 15052.77  4820.66 12629.58  1619.50  169.895   36.061  173.704   11.548 -3.808670 37.86475 
1 1 1  -11   29   13 o   46.563   13.158  941.456  519.487  1643.44  3341.73  924.071  525.880   74.824   31.721   46.187   13.301 28.63721 34.39619 
1 1 1  -11   29   14 f   71.887   12.283  2237.63  691.227  3977.86  3662.38  2173.35  703.877   88.131   34.749   70.668   12.735 17.46265 37.00938 
1 1 1  -11   29   15 o   58.133   26.619 -427.3951  2830.20 -427.3951  2830.20   0.0000   0.0000   58.133   26.619  ?   ?  0.000000 26.61879 
1 1 1  -11   29   16 o   66.895   31.259  116.721  4206.86  116.721  4206.86   0.0000   0.0000   66.895   31.259  ?   ?  0.000000 31.25902 
1 1 1  -11   29   17 o   36.159   14.956  287.147  715.662  1641.63  4793.31  256.265  723.774   69.750   32.838   35.909   14.962 33.84163 36.08561 
1 1 1  -11   31    1 o  154.199   19.890 10182.90  2432.31   0.0000   0.0000 10182.90  2432.31  ?   ?   154.199   19.890 0.000000 19.89044 
1 1 1  -11   31    2 o   41.118   18.501 -559.7564  1295.54   0.0000   0.0000 -559.7564  1295.54  ?   ?    41.118   18.501 0.000000 18.50089 
1 1 1  -11   31    3 o  171.021   20.010 12535.82  2726.09   0.0000   0.0000 12535.82  2726.09  ?   ?   171.021   20.010 0.000000 20.00966 
1 1 1  -11   31    4 o   65.631   22.656  1727.13  1466.60 -867.8304  3629.72  2233.44  1603.30   69.086   31.037   72.544   23.677 -3.457619 39.03719 
1 1 1  -11   31    5 f  106.017   21.375  4970.32  1776.53  7803.73  4349.61  4403.02  1946.26  125.422   38.776   98.702   24.419 26.71954 45.82447 
1 1 1  -11   31    6 o   33.021   15.588 -1168.2440  1093.60  220.579  2894.44 -1399.5210  1181.16   66.700   28.915   33.512   15.932 33.18822 33.01333 
1 1 1  -11   31    7 o  147.339   18.335  9367.06  2146.09  5730.73  4708.00 10320.84  2411.17  108.907   40.244  154.064   19.728 -45.15691 44.81898 
1 1 1  -11   31    8 o  238.691   18.345 24509.20  3528.19 26362.20  6886.26 23849.64  4108.40  227.664   38.633  232.618   22.013 -4.954346 44.46466 
1 1 1  -11   31    9 o  402.466   26.048 73986.88  8466.60 78735.07 13296.03 70748.41 10980.63  379.073   44.017  374.138   36.615 4.935089 57.25520 
1 1 1  -11   31   10 o  216.229   19.802 20610.58  3438.03 18837.78  6179.05 21405.49  4137.65  182.652   42.468  216.585   23.928 -33.93355 48.74500 
1 1 1  -11   31   11 o   30.080   14.597 -1752.7679  1115.78  7424.94  3785.22 -2626.1140  1167.66  116.067   36.221   27.628   13.703 88.43992 38.72628 
1 1 1  -11   31   12 o   80.844   23.369  3129.17  1620.63  6663.80  4557.43  2617.50  1733.97  105.386   39.465   74.477   24.639 30.90912 46.52489 
1 1 1  -11   31   13 o   59.102   20.791  1523.62  1237.90  921.728  4558.92  1571.53  1286.22   74.885   34.095   59.954   21.182 14.93129 40.13927 
1 1 1  -11   31   14 o   50.297   12.788  1127.17  523.439 -2688.9170  4756.64  1173.95  526.637   63.329   30.590   51.343   12.702 11.98655 33.12273 
1 1 1  -11   31   15 o   30.162   12.539  144.240  506.702 -1242.4070  4852.08  159.529  509.488   64.694   31.160   30.458   12.611 34.23593 33.61550 
1 1 1  -11   31   16 o   51.532   14.586  1239.90  637.819 -407.9730  5346.88  1263.68  642.406   64.560   31.471   51.999   14.610 12.56076 34.69683 
1 1 1  -11   31   17 o   31.799   15.109 -879.1503  1059.61   0.0000   0.0000 -879.1503  1059.61  ?   ?    31.799   15.109 0.000000 15.10890 
1 1 1  -11   31   18 o   45.781   19.740  795.859  1334.45   0.0000   0.0000  795.859  1334.45  ?   ?    45.781   19.740 0.000000 19.73954 
1 1 1  -11   33    1 o   79.410   25.650  2795.70  1884.25   0.0000   0.0000  2795.70  1884.25  ?   ?    79.410   25.650 0.000000 25.65046 
1 1 1  -11   33    2 o  307.505   23.330 41671.50  5781.83   0.0000   0.0000 41671.50  5781.83  ?   ?   307.505   23.330 0.000000 23.33050 
1 1 1  -11   33    3 o  282.663   22.839 35206.59  5197.13   0.0000   0.0000 35206.59  5197.13  ?   ?   282.663   22.839 0.000000 22.83926 
1 1 1  -11   33    4 o   57.210   22.977  859.823  1630.31   0.0000   0.0000  859.823  1630.31  ?   ?    57.210   22.977 0.000000 22.97680 
1 1 1  -11   33    5 o  140.247   20.596  8699.33  2275.48  6119.79  5445.08  9245.13  2504.67  109.858   42.645  143.757   22.171 -33.89967 48.06361 
1 1 1  -11   33    6 o   68.453   24.057  1971.05  1657.03  2423.58  4442.97  1897.94  1785.88   87.033   36.718   68.393   24.862 18.63924 44.34314 
1 1 1  -11   33    7 f  213.595   19.522 20037.15  3348.37 24578.46  7038.04 18708.55  3806.79  210.064   42.718  202.971   23.535 7.092926 48.77237 
1 1 1  -11   33    8 o  210.319   21.297 19845.91  3586.73 25453.44  7285.02 18051.72  4120.78  209.092   44.288  195.493   26.655 13.59946 51.69030 
1 1 1  -11   33    9 o   61.984   23.688  1454.01  1661.52 -370.5598  5023.22  1678.16  1760.62   75.959   35.030   64.903   24.484 11.05604 42.73835 
1 1 1  -11   33   10 o  200.449   21.730 18489.16  3480.12 26373.98  7393.50 16245.00  3944.40  203.094   45.913  181.602   27.620 21.49170 53.58067 
1 1 1  -11   33   11 o  127.823   23.851  7906.29  2384.39  6336.35  6277.07  8171.01  2577.59   98.373   42.613  128.433   25.616 -30.05952 49.71946 
1 1 1  -11   33   12 o   61.034   10.313  1606.35  492.880 16410.82  5731.15  1496.04  494.713  150.643   44.062   58.706   10.776 91.93755 45.36035 
1 1 1  -11   33   13 o  144.409   10.188  8864.12  1186.91 15901.70  6942.58  8652.23  1204.65  123.559   48.100  142.476   10.487 -18.91704 49.23003 
1 1 1  -11   33   14 o  110.222   10.332  5229.65  913.930  3810.42  6940.22  5254.70  921.959   77.216   37.211  110.445   10.403 -33.22892 38.63783 
1 1 1  -11   33   15 o   60.356   13.516  1693.93  645.924 -1110.7450  6918.09  1718.60  648.758   64.161   32.067   60.818   13.491 3.342712 34.78924 
1 1 1  -11   33   16 o   54.146   23.102  1432.30  1792.67   0.0000   0.0000  1432.30  1792.67  ?   ?    54.146   23.102 0.000000 23.10210 
1 1 1  -11   35    1 o  162.855   24.230 12176.42  3106.44   0.0000   0.0000 12176.42  3106.44  ?   ?   162.855   24.230 0.000000 24.23035 
1 1 1  -11   35    2 f  156.706   26.687 11577.78  3273.97   0.0000   0.0000 11577.78  3273.97  ?   ?   156.706   26.687 0.000000 26.68712 
1 1 1  -11   35    3 o  110.028   29.536  6009.76  2694.07   0.0000   0.0000  6009.76  2694.07  ?   ?   110.028   29.536 0.000000 29.53596 
1 1 1  -11   35    4 o   82.715   29.985  3167.31  2595.06   0.0000   0.0000  3167.31  2595.06  ?   ?    82.715   29.985 0.000000 29.98489 
1 1 1  -11   35    5 o   99.733   31.086  5095.07  2788.95   0.0000   0.0000  5095.07  2788.95  ?   ?    99.733   31.086 0.000000 31.08556 
1 1 1  -11   35    6 o  136.271   25.999  8948.63  2771.78 15026.59  6930.19  7791.21  3024.20  144.705   49.272  123.266   30.405 21.43920 57.89809 
1 1 1  -11   35    7 f  174.629   22.888 14226.16  3167.19 26875.04  7760.82 11698.60  3469.23  201.033   48.175  152.343   29.107 48.69055 56.28521 
1 1 1  -11   35    8 o   63.044   25.070  1471.02  1921.26  1213.11  6080.35  1499.62  2025.01   82.256   38.146   63.985   25.639 18.27021 45.96197 
1 1 1  -11   35    9 o  146.592   25.604 10688.04  2936.66  7162.59  7973.12 11241.37  3158.72   98.349   44.898  148.745   27.154 -50.39615 52.47115 
1 1 1  -11   35   10 o  105.023   28.028  5958.84  2434.63 10170.84  7678.04  5488.00  2567.10  102.938   45.766   98.995   29.627 3.943253 54.51908 
1 1 1  -11   35   11 o  127.955   27.821  8935.46  2808.04  6654.87  8337.97  9227.21  2982.25   87.980   41.966  128.183   29.293 -40.20271 51.17835 
1 1 1  -11   35   12 o   38.025   12.604  617.427  453.662 -7927.0649  7604.33  647.946  454.471   62.402   31.507   38.725   12.604 23.67717 33.93475 
1 1 1  -11   35   13 o   35.417   12.156  526.594  421.922  6691.90  8036.19  509.552  422.505   76.328   37.493   35.040   12.157 41.28792 39.41454 
1 1 1  -11   35   14 o  101.148   30.267  7333.91  2679.31 11062.59  9540.78  7014.68  2791.65   72.731   36.536   96.031   31.239 -23.29929 48.06972 
1 1 1  -11   35   15 o   57.580   23.982  2109.69  1858.27   0.0000   0.0000  2109.69  1858.27  ?   ?    57.580   23.982 0.000000 23.98159 
1 1 1  -11   37    1 o  107.998   37.528  6917.24  4027.11   0.0000   0.0000  6917.24  4027.11  ?   ?   107.998   37.528 0.000000 37.52824 
1 1 1  -11   37    2 o  103.484   36.320  6231.02  3776.44   0.0000   0.0000  6231.02  3776.44  ?   ?   103.484   36.320 0.000000 36.31986 
1 1 1  -11   37    3 o   76.911   30.025  2708.43  2710.97   0.0000   0.0000  2708.43  2710.97  ?   ?    76.911   30.025 0.000000 30.02474 
1 1 1  -11   37    4 o   68.209   28.578  1558.09  2661.42   0.0000   0.0000  1558.09  2661.42  ?   ?    68.209   28.578 0.000000 28.57798 
1 1 1  -11   37    5 o  226.395   29.648 26660.37  5319.15   0.0000   0.0000 26660.37  5319.15  ?   ?   226.395   29.648 0.000000 29.64833 
1 1 1  -11   37    6 o   84.476   29.978  3871.16  2578.86  1860.34  8523.68  4073.77  2705.66   85.603   41.249   86.014   30.686 -0.4113922 51.41119 
1 1 1  -11   37    7 o   95.921   31.272  5365.21  2797.08 11006.33  8852.67  4739.61  2948.10  101.714   46.759   89.696   32.028 12.01762 56.67661 
1 1 1  -11   37    8 o  207.197   27.304 22784.19  4481.60 33403.47 11517.08 20889.30  4865.04  138.593   58.829  189.072   32.884 -50.47913 67.39542 
1 1 1  -11   37    9 o  135.097   30.930 10829.28  3319.68 16352.77  9998.78 10145.00  3519.30   99.117   46.896  125.739   33.760 -26.62154 57.78333 
1 1 1  -11   37   10 o   66.904   27.253  2418.07  2330.16 -2108.0779  9421.30  2712.99  2404.88   69.937   35.282   69.152   27.859 0.7850189 44.95498 
1 1 1  -11   37   11 o   82.108   29.650  4680.87  2533.95 15285.05 10569.20  4034.18  2610.07   81.612   40.604   76.224   29.543 5.387650 50.21418 
1 1 1  -11   37   12 o   55.738   24.704  1384.42  2220.48 12468.10  8848.67  639.578  2293.87   74.877   37.237   52.085   23.892 22.79210 44.24256 
1 1 1  -11   37   13 o   53.040   23.979  1327.19  2206.80   0.0000   0.0000  1327.19  2206.80  ?   ?    53.040   23.979 0.000000 23.97922 
1 1 1  -11   39    1 o   56.327   26.250 -742.6675  2935.24   0.0000   0.0000 -742.6675  2935.24  ?   ?    56.327   26.250 0.000000 26.25008 
1 1 1  -11   39    2 o   63.049   28.513  603.043  3123.27   0.0000   0.0000  603.043  3123.27  ?   ?    63.049   28.513 0.000000 28.51340 
1 1 1  -11   39    3 o   75.218   31.480  2975.55  3224.27   0.0000   0.0000  2975.55  3224.27  ?   ?    75.218   31.480 0.000000 31.48035 
1 1 1  -11   39    4 o  119.747   37.818 10237.29  4113.59   0.0000   0.0000 10237.29  4113.59  ?   ?   119.747   37.818 0.000000 37.81827 
1 1 1  -11   39    5 o  127.443   37.907 11718.58  4211.98   0.0000   0.0000 11718.58  4211.98  ?   ?   127.443   37.907 0.000000 37.90669 
1 1 1  -11   39    6 o   80.995   32.557  4491.56  3276.35   0.0000   0.0000  4491.56  3276.35  ?   ?    80.995   32.557 0.000000 32.55717 
1 1 1  -11   39    7 o   63.501   26.996  1981.62  2431.82 12893.02 11771.19  1495.16  2485.44   82.124   41.160   60.695   26.545 21.42977 48.97749 
1 1 1  -11   39    8 o   61.431   27.376  1731.64  2763.77  4733.74 11722.27  1554.93  2843.95   71.811   36.555   60.783   27.374 11.02892 45.66865 
1 1 1  -11   39    9 o   73.361   30.045  4164.75  2851.45 12290.74 12356.78  3707.71  2930.55   71.870   36.671   70.173   29.724 1.697884 47.20462 
1 1 1  -11   39   10 o   54.989   24.402  1484.77  2173.05  6690.85 12637.56  1326.15  2205.91   64.323   33.075   54.173   24.276 10.15007 41.02759 
1 1 1  -11   41    1 o   73.308   33.153  4127.67  4222.53   0.0000   0.0000  4127.67  4222.53  ?   ?    73.308   33.153 0.000000 33.15329 
1 1 1  -11   41    2 f  110.283   41.951 13532.49  5196.11   0.0000   0.0000 13532.49  5196.11  ?   ?   110.283   41.951 0.000000 41.95143 
1 1 1  -11   41    3 o   55.929   26.899 -433.9063  3583.69   0.0000   0.0000 -433.9063  3583.69  ?   ?    55.929   26.899 0.000000 26.89852 
1 1 1  -11   41    4 f   85.817   36.480  8036.83  4439.96   0.0000   0.0000  8036.83  4439.96  ?   ?    85.817   36.480 0.000000 36.47979 
1 1 1  -11   41    5 o   94.115   38.589 10821.22  4710.60   0.0000   0.0000 10821.22  4710.60  ?   ?    94.115   38.589 0.000000 38.58943 
1 1 1  -11   41    6 o   63.786   28.681  2983.25  3107.60   0.0000   0.0000  2983.25  3107.60  ?   ?    63.786   28.681 0.000000 28.68122 
1 1 1  -10    0    4 o  379.243   18.904 58991.50  5788.27 57693.00  8182.22 60292.30  8189.48  372.898   27.362  381.515   26.738 -0.000000 0.000000 
1 1 1  -10    0    5 o   53.610   6.5346  1218.19  273.164  996.422  381.634  1451.17  391.167   45.492   11.958   57.792   8.9823 -0.000000 0.000000 
1 1 1  -10    0    6 o  808.050   39.113 268807.50 25525.60 267764.81 36087.98 269851.41 36109.33  800.599   56.149  803.837   55.946 -0.000000 0.000000 
1 1 1  -10    0    7 o   63.668   6.9818  1704.53  349.878  1706.53  486.648  1702.40  503.382   62.336   10.513   62.010   11.041 -0.000000 0.000000 
1 1 1  -10    0    8 f  1146.04   55.261 542098.31 51150.16 562039.19 72348.92 522170.09 72325.59  1157.96   77.753  1114.09   80.934 0.000000 0.000000 
1 1 1  -10    0    9 o  465.324   22.682 88664.23  8523.55 107343.20 12068.92 70076.55 12039.38  511.056   29.305  409.771   36.871 0.000000 0.000000 
1 1 1  -10    0   10 o  132.892   9.0440  7270.83  965.505  5904.57  1316.05  8863.26  1420.82  118.041   14.287  146.222   12.161 -0.000000 0.000000 
1 1 1  -10    0   11 o  404.823   20.109 67151.71  6572.77 63581.36  9272.80 70756.92  9317.97  391.643   29.546  413.898   28.021 -0.000000 0.000000 
1 1 1  -10    0   12 o  149.983   14.117  9386.08  1684.18   0.0000   0.0000  9386.08  1684.18  149.983   14.117  149.983   14.117 -0.000000 0.000000 
1 1 1  -10    0   13 o  573.677   28.138 135622.91 13034.74 137309.50 18460.27 133946.00 18407.66  572.905   40.137  565.565   40.564 0.000000 0.000000 
1 1 1  -10    0   14 o  143.321   9.5820  8459.20  1103.63  8970.79  1594.18  7988.35  1529.37  146.618   13.664  138.044   13.973 0.000000 0.000000 
1 1 1  -10    0   15 o   69.189   10.356  2072.21  543.368  2557.07  830.340  1709.06  718.594   74.962   15.448   58.338   17.422 0.000000 0.000000 
1 1 1  -10    0   16 o  137.005   9.9677  7752.65  1095.35  5666.98  1612.55  9539.37  1492.52  113.330   19.171  151.628   12.309 0.000000 0.000000 
1 1 1  -10    0   17 o  285.918   15.190 33614.81  3503.68 34871.97  5034.90 32434.44  4878.69  289.392   21.708  278.874   21.854 0.000000 0.000000 
1 1 1  -10    0   18 o  271.574   14.934 30375.04  3270.43 28608.43  4713.84 32014.57  4541.15  260.985   22.636  277.205   20.431 0.000000 0.000000 
1 1 1  -10    0   19 o   17.189   11.606 -220.9324  471.994 -509.1828  1544.01 -191.2193  495.724   32.110   21.469   18.023   12.086 0.000000 0.000000 
1 1 1  -10    0   20 o   70.235   12.697  2202.69  653.829 -461.3243  1783.20  2616.47  702.773   34.971   23.284   77.359   12.062 0.000000 0.000000 
1 1 1  -10    0   21 o   28.870   16.869  416.608  658.719 -234.4059  704.132  4980.75  1864.40   21.686   14.499  100.009   26.573 -0.000000 0.000000 
1 1 1  -10    0   22 o   44.582   21.347  1229.11  888.995  2106.09  2010.10  1015.86  991.202   57.256   30.960   40.753   21.835 0.000000 0.000000 
1 1 1  -10    0   23 o  205.863   13.745 17805.30  2274.09 16023.14  2858.36 20878.71  3753.66  192.313   18.712  218.039   21.695 -0.000000 0.000000 
1 1 1  -10    0   24 o   55.401   21.257  1771.43  903.955  5372.87  2441.32  1199.21  973.122   94.294   34.543   43.229   22.035 0.000000 0.000000 
1 1 1  -10    0   25 o   31.954   18.659  570.239  805.194  570.239  805.194   0.0000   0.0000   31.954   18.659   31.954   18.659 -0.000000 0.000000 
1 1 1  -10    0   26 o  163.979   16.911 12121.38  2196.82 12121.38  2196.82   0.0000   0.0000  163.979   16.911  163.979   16.911 -0.000000 0.000000 
1 1 1  -10    2    4 o  556.544   21.912 126696.60  9901.97 131329.30 17153.35 124381.30 12126.46  561.293   37.859  550.338   27.137 10.95490 46.58018 
1 1 1  -10    2    5 o  975.698   38.419 393519.59 30437.09 422452.91 52715.17 379050.09 37278.88  992.119   65.812  951.494   48.412 40.62488 81.70053 
1 1 1  -10    2    6 o  315.826   11.162 40542.53  2862.42 41011.02  4042.34 40071.38  4053.84  317.465   15.682  313.388   15.984 4.077087 22.39234 
1 1 1  -10    2    7 o  311.271   11.074 39372.27  2798.81 41052.07  3953.72 37684.98  3962.53  317.705   15.327  303.944   16.114 13.76083 22.23852 
1 1 1  -10    2    8 o  704.173   27.477 202331.20 15710.64 209555.20 19240.25 187877.59 27215.24  715.819   33.103  672.836   50.176 42.98273 60.11224 
1 1 1  -10    2    9 o  546.358   18.521 121454.10  8216.32 123418.70 11614.59 119486.10 11624.67  550.176   25.999  541.299   26.449 8.876953 37.08784 
1 1 1  -10    2   10 o  637.611   21.515 165614.91 11138.70 164186.80 15747.15 167045.00 15757.86  633.755   30.601  639.283   30.358 -5.527344 43.10483 
1 1 1  -10    2   11 o  255.490   9.3732 26526.02  1944.48 23939.97  2744.60 29132.15  2755.24  242.172   14.018  267.642   12.679 -25.46982 18.90086 
1 1 1  -10    2   12 o  184.994   10.915 13970.46  1632.26 13956.60  2294.55 13984.66  2322.42  184.393   15.468  184.558   15.645 -0.1649170 22.00084 
1 1 1  -10    2   13 o  309.555   11.110 39012.55  2792.41 41572.73  3946.34 36445.28  3951.79  319.158   15.228  298.265   16.380 20.89352 22.36541 
1 1 1  -10    2   14 o  468.893   16.329 89891.46  6217.00 93983.26  8788.25 85792.37  8796.08  477.898   22.648  455.671   23.857 22.22726 32.89492 
1 1 1  -10    2   15 o   95.925   6.5488  3758.08  507.026  4168.22  713.326  3339.29  720.818  100.822   8.8018   89.997   10.035 10.82439 13.34815 
1 1 1  -10    2   16 o  258.408   9.6832 27206.14  2031.71 27860.35  2868.86 26547.87  2877.72  260.699   13.600  254.397   13.985 6.302567 19.50759 
1 1 1  -10    2   17 o  151.328   7.1878  9319.25  883.183 10107.20  1244.58  8519.98  1253.49  157.133   9.8037  144.080   10.793 13.05292 14.58089 
1 1 1  -10    2   18 o   30.040   11.059  291.343  354.957  880.891  457.761 -597.6990  562.135   45.587   12.147   24.023   11.290 21.56370 16.58361 
1 1 1  -10    2   19 o  180.521   8.2568 13311.40  1210.26 13502.33  1718.12 13123.37  1705.07  180.875   11.763  178.289   11.846 2.586746 16.69366 
1 1 1  -10    2   20 o  263.040   10.270 28492.26  2193.49 28144.27  3103.70 28839.52  3100.44  259.077   14.816  262.379   14.611 -3.302704 20.80829 
1 1 1  -10    2   21 o   92.077   8.7382  3519.89  645.474  2528.55  920.394  4479.34  905.467   76.045   15.434  103.374   10.955 -27.32911 18.92606 
1 1 1  -10    2   22 o  105.176   9.0469  4609.75  765.077  4175.78  1068.93  5065.58  1095.52   98.416   13.752  109.024   12.608 -10.60724 18.65710 
1 1 1  -10    2   23 o  133.158   8.7367  7396.80  939.377  6793.40  1281.80  8096.88  1380.67  125.712   12.733  137.467   12.506 -11.75559 17.84767 
1 1 1  -10    2   24 o   77.755   10.393  2601.18  639.746  2584.50  878.333  2620.02  933.675   75.420   14.871   75.494   15.741 -0.7427979E-01 21.65527 
1 1 1  -10    2   25 o   50.980   14.024  1212.04  598.659  1643.94  793.876  642.637  911.530   58.391   16.184   43.027   17.216 15.36432 23.62829 
1 1 1  -10    2   26 o   86.394   11.299  3380.89  773.630  3993.52  1037.08  2612.27  1161.64   91.144   14.499   68.419   19.787 22.72450 24.53065 
1 1 1  -10    4    2 o  336.008   16.798 46071.14  4582.99 44299.45  6495.17 47827.80  6467.58  327.640   24.594  340.735   23.521 -13.09589 34.03112 
1 1 1  -10    4    3 o  402.293   19.779 66126.75  6460.74 63704.13  9145.87 68539.86  9127.90  392.416   28.907  407.401   27.759 -14.98471 40.07751 
1 1 1  -10    4    4 o  556.450   21.839 126539.70  9867.34 123387.70 17113.42 128109.40 12076.98  544.272   38.982  559.000   26.608 -14.72784 47.19738 
1 1 1  -10    4    5 o  411.017   14.028 68729.43  4681.48 65699.65  6616.68 71766.45  6624.56  400.875   20.395  419.594   19.444 -18.71930 28.17875 
1 1 1  -10    4    6 o  302.909   10.740 37286.98  2641.56 38942.62  3726.72 35615.23  3744.81  309.423   14.833  295.465   15.665 13.95850 21.57377 
1 1 1  -10    4    7 o  670.839   22.731 183387.70 12381.60 182746.09 17499.75 184030.70 17520.72  668.403   32.244  670.760   32.170 -2.356689 45.54771 
1 1 1  -10    4    8 o  489.544   24.078 97662.37  9570.95 112431.80 13511.02 82785.99 13559.85  523.558   31.935  447.973   37.628 75.58484 49.35256 
1 1 1  -10    4    9 o  506.414   17.063 104313.00  7016.23 106636.00  9913.52 101981.60  9931.38  511.560   23.867  500.226   24.451 11.33450 34.16862 
1 1 1  -10    4   10 o  670.304   22.592 183146.09 12295.89 188261.00 17379.17 178019.59 17398.87  678.307   31.555  659.444   32.494 18.86328 45.29424 
1 1 1  -10    4   11 o  649.599   22.097 172321.70 11655.00 177254.20 16472.11 167376.41 16493.22  657.007   30.877  638.213   31.827 18.79462 44.34410 
1 1 1  -10    4   12 o  638.123   31.138 168270.70 16133.60 170866.91 22814.82 165673.80 22817.89  635.878   44.468  625.686   45.218 10.19202 63.42002 
1 1 1  -10    4   13 o  355.040   12.467 51361.17  3593.86 48422.33  5069.82 54329.55  5095.24  343.553   18.240  364.559   17.213 -21.00610 25.07948 
1 1 1  -10    4   14 f  375.302   13.188 57454.07  4018.78 57026.92  5672.88 57884.41  5694.02  372.535   18.815  375.818   18.660 -3.283264 26.49885 
1 1 1  -10    4   15 o  160.572   7.3024 10485.65  952.084 10156.20  1332.09 10829.71  1361.28  157.542   10.473  162.717   10.357 -5.175232 14.72960 
1 1 1  -10    4   16 o  258.163   9.6768 27156.94  2028.44 30708.44  2864.97 23587.12  2872.35  274.141   12.871  239.561   14.840 34.58070 19.64375 
1 1 1  -10    4   17 o  574.608   19.820 136547.41  9247.09 134141.91 13069.03 138959.00 13085.72  563.275   28.670  574.400   28.057 -11.12567 40.11429 
1 1 1  -10    4   18 o  106.197   7.1470  4613.89  612.687  4558.10  820.941  4684.02  920.525  105.207   9.7200  106.489   10.795 -1.282158 14.52642 
1 1 1  -10    4   19 o  232.785   9.3192 22182.01  1761.46 22433.40  2460.28 21917.63  2523.07  232.831   13.067  229.958   13.573 2.872406 18.84038 
1 1 1  -10    4   20 o  143.120   7.9372  8414.97  918.760  8051.79  1278.77  8802.47  1320.89  139.111   11.422  145.537   11.266 -6.425323 16.04296 
1 1 1  -10    4   21 o   52.999   9.7594  1195.63  404.508  1298.48  515.216  1030.36  653.126   54.821   11.915   49.133   14.998 5.687809 19.15489 
1 1 1  -10    4   22 o   63.378   10.898  1721.04  540.603  1766.41  711.131  1658.91  832.097   63.281   14.190   60.887   16.444 2.394417 21.72052 
1 1 1  -10    4   23 o   33.430   13.229  294.778  532.569  115.484  724.720  505.272  785.248   34.899   14.782   41.030   16.118 -6.131413 21.87021 
1 1 1  -10    4   24 o   68.444   10.762  2034.70  578.339  1870.01  753.635  2270.63  902.004   63.871   14.818   69.839   16.217 -5.968304 21.96792 
1 1 1  -10    4   25 f   37.243   14.099  519.738  585.062  539.578  768.270  492.348  902.696   39.906   15.858   41.005   16.862 -1.099369 23.14745 
1 1 1  -10    4   26 o   41.027   14.796  770.875  630.717  1151.31  764.018 -43.1165  1117.57   47.886   16.360   37.355   16.959 10.53144 23.56338 
1 1 1  -10    6    2 o  764.350   54.390 248735.00 33535.43 248735.00 33535.43   0.0000   0.0000  764.350   54.390  ?   ?  0.000000 54.38968 
1 1 1  -10    6    3 o  648.732   31.447 173058.59 16564.50 170689.00 23445.46 175420.41 23406.07  638.364   45.531  647.507   44.794 -9.143005 63.87186 
1 1 1  -10    6    4 o  562.613   27.351 129544.90 12494.67 121623.20 17688.33 137434.09 17652.00  541.116   40.553  576.176   37.944 -35.05920 55.53643 
1 1 1  -10    6    5 o  607.257   23.768 150454.91 11719.44 149408.80 20345.55 150974.41 14336.84  600.607   41.984  607.562   29.062 -6.954590 51.06107 
1 1 1  -10    6    6 o  483.649   18.968 95223.69  7448.87 95689.09 12942.08 94993.15  9108.83  482.364   33.247  482.737   23.239 -0.3723755 40.56351 
1 1 1  -10    6    7 o  371.477   14.053 56098.37  4238.76 51615.47  5185.85 65121.98  7357.51  355.719   18.013  399.162   22.795 -43.44312 29.05356 
1 1 1  -10    6    8 o  325.374   13.050 43026.97  3447.63 38041.90  5917.99 45588.00  4241.76  304.606   24.125  334.840   15.602 -30.23370 28.73011 
1 1 1  -10    6    9 o  474.033   15.596 91379.52  6002.71 92577.95  8480.20 90176.04  8498.05  476.745   21.907  470.496   22.245 6.249054 31.22075 
1 1 1  -10    6   10 o  371.382   12.577 56075.20  3792.45 58410.36  5354.35 53724.31  5372.36  378.789   17.409  362.768   18.298 16.02115 25.25631 
1 1 1  -10    6   11 o  688.045   23.884 193748.59 13343.50 202447.80 18860.38 185030.50 18880.74  700.725   33.149  668.488   34.906 32.23706 48.13767 
1 1 1  -10    6   12 o  518.618   20.760 110154.90  8742.00 109520.40 10697.30 111430.60 15168.35  515.970   25.534  515.773   36.454 0.1976929 44.50700 
1 1 1  -10    6   13 o  369.566   12.993 55676.53  3898.77 54617.18  5500.37 56746.20  5527.11  364.783   18.632  372.354   18.281 -7.571686 26.10306 
1 1 1  -10    6   14 o  512.270   17.874 107506.60  7434.71 111018.00 10499.66 103975.60 10528.93  518.360   24.946  500.648   25.990 17.71243 36.02508 
1 1 1  -10    6   15 o  283.683   10.363 32790.95  2387.05 32197.85  3358.65 33396.30  3393.22  280.194   14.815  285.398   14.693 -5.204346 20.86551 
1 1 1  -10    6   16 o  167.783   7.5582 11455.51  1029.69 11188.72  1427.07 11745.24  1487.19  165.285   10.691  169.337   10.874 -4.051636 15.24892 
1 1 1  -10    6   17 o  116.189   6.8175  5512.25  640.359  5288.78  895.240  5746.37  916.339  113.445   9.8156  118.312   9.6220 -4.866791 13.74514 
1 1 1  -10    6   18 o  168.730   7.9410 11607.78  1087.95 13373.18  1521.17  9759.14  1556.62  180.536   10.421  153.723   12.581 26.81352 16.33695 
1 1 1  -10    6   19 o  203.384   8.6585 16924.60  1429.87 16143.31  1995.62 17748.85  2049.75  197.427   12.514  207.133   12.242 -9.706100 17.50585 
1 1 1  -10    6   20 o  131.230   7.6800  7076.89  814.769  6944.41  1096.43  7240.28  1217.58  129.307   10.534  131.773   11.495 -2.465897 15.59185 
1 1 1  -10    6   21 f  236.374   9.5746 23092.75  1837.64 21958.04  2567.04 24285.44  2631.79  227.868   13.941  239.930   13.565 -12.06279 19.45157 
1 1 1  -10    6   22 o   75.192   9.4601  2381.59  564.789  2466.50  703.787  2228.00  946.593   75.809   11.819   70.307   16.809 5.502533 20.54845 
1 1 1  -10    6   23 o   27.221   11.690   3.5793  464.391 -517.6094  547.024  1348.46  878.719   23.824   11.177   54.829   17.496 -31.00428 20.76180 
1 1 1  -10    6   24 o   35.544   13.023  472.453  491.427  273.076  512.734  2722.94  1722.63   32.314   12.918   71.911   24.565 -39.59679 27.75466 
1 1 1  -10    6   25 o  104.638   10.144  4761.12  851.041  4401.20  1064.94  5397.19  1415.71   97.953   13.770  105.543   17.105 -7.590561 21.95911 
1 1 1  -10    6   26 o   54.224   12.635  1404.05  546.002  2074.52  638.643 -417.2244  1052.58   66.499   12.280   33.642   15.692 32.85698 19.92597 
1 1 1  -10    8    1 o  470.092   23.183 90255.69  8848.81 88782.38 12525.35 91723.72 12502.90  463.577   33.501  471.378   32.872 -7.800751 46.93545 
1 1 1  -10    8    2 o  106.435   8.2571  4630.10  708.008  3381.35  1014.18  5817.25  988.847   90.056   14.351  119.191   10.319 -29.13528 17.67628 
1 1 1  -10    8    3 o  108.680   8.1765  4825.42  716.245  3810.78  1037.19  5750.34  990.280   95.832   13.721  118.499   10.397 -22.66673 17.21542 
1 1 1  -10    8    4 o  307.475   15.778 38562.04  3925.83 37462.85  5581.22 39638.47  5523.15  302.256   22.912  311.072   22.009 -8.816315 31.77015 
1 1 1  -10    8    5 f  300.975   15.613 36941.48  3802.55 31545.39  5405.10 42229.21  5350.55  277.098   24.268  321.356   20.614 -44.25793 31.84154 
1 1 1  -10    8    6 o  851.159   33.394 296343.91 23078.96 276262.41 40041.27 306334.09 28242.12  812.571   61.137  863.921   40.261 -51.35016 73.20285 
1 1 1  -10    8    7 o  1514.20   72.872 961926.88 89594.94 1072003.00 126736.40 851954.81 126676.40  1573.96   99.682  1390.18  113.207 183.7841 150.8389 
1 1 1  -10    8    8 o  459.563   18.091 85925.71  6750.77 98103.32 11755.66 79934.02  8245.97  489.280   29.731  442.365   23.037 46.91577 37.61194 
1 1 1  -10    8    9 o  557.323   18.215 126431.40  8242.98 128632.00 11653.23 124227.80 11661.43  561.443   25.562  551.695   26.032 9.747498 36.48458 
1 1 1  -10    8   10 o  540.255   18.417 118961.60  8079.19 128802.60 11419.54 109099.40 11431.86  561.225   25.060  515.444   27.413 45.78046 37.14121 
1 1 1  -10    8   11 o  460.394   18.447 86558.08  6896.04 86471.41 12001.83 86600.79  8425.75  456.248   32.612  459.842   22.566 -3.594788 39.65852 
1 1 1  -10    8   12 o  265.110   9.8385 28595.77  2117.85 28565.67  2983.79 28626.34  3006.52  264.318   13.952  264.587   14.045 -0.2691040 19.79700 
1 1 1  -10    8   13 o  588.280   19.896 141936.00  9503.79 138801.30 13431.45 145079.00 13449.35  578.641   28.587  591.835   27.987 -13.19464 40.00669 
1 1 1  -10    8   14 o  379.955   13.533 58935.01  4175.11 59504.73  5891.87 58360.38  5917.19  380.274   19.143  376.516   19.421 3.758026 27.26971 
1 1 1  -10    8   15 o   72.635   6.8497  2164.52  399.208  2259.18  505.436  2007.54  650.889   74.008   8.5696   69.156   12.028 4.851868 14.76880 
1 1 1  -10    8   16 o  344.274   12.296 48434.89  3437.18 45856.62  4839.80 51058.60  4882.28  333.297   17.950  352.414   17.062 -19.11765 24.76514 
1 1 1  -10    8   17 o  266.020   10.587 28904.49  2286.77 29996.18  3210.19 27779.82  3258.32  269.856   14.706  259.446   15.539 10.40952 21.39443 
1 1 1  -10    8   18 o  460.348   15.897 87698.48  5941.99 96956.01  8404.19 78445.09  8402.30  480.236   21.553  429.474   24.193 50.76184 32.40118 
1 1 1  -10    8   19 o  150.194   7.9501  9250.97  966.085  8976.10  1294.09  9597.02  1452.01  147.289   10.898  152.070   11.853 -4.780960 16.10166 
1 1 1  -10    8   20 o   38.071   11.018  612.977  360.066  317.035  426.217  1350.64  672.910   31.983   12.051   55.713   14.672 -23.72936 18.98680 
1 1 1  -10    8   21 o   80.274   8.9350  2690.95  572.500  3241.54  700.589  1584.31  993.238   87.910   9.9925   60.032   18.525 27.87790 21.04787 
1 1 1  -10    8   22 o  102.781   8.8874  4410.45  734.400  3938.30  896.464  5373.93  1280.60   96.094   11.733  111.153   14.537 -15.05868 18.68153 
1 1 1  -10    8   23 o  156.338   8.7847 10221.36  1110.62  9694.61  1475.00 10910.98  1687.70  150.233   12.197  158.688   13.219 -8.454391 17.98599 
1 1 1  -10    8   24 o   97.787   9.4443  4077.65  740.544  3995.46  922.528  4226.57  1241.82   95.308   12.201   95.079   16.695 0.2287140 20.67791 
1 1 1  -10    8   25 o   64.904   12.879  1945.75  654.747  2013.54  734.513  1683.50  1444.68   65.194   14.271   56.931   22.003 8.263256 26.22626 
1 1 1  -10    8   26 o   72.213   12.862  2490.17  726.528  2490.17  726.528   0.0000   0.0000   72.213   12.862  ?   ?  0.000000 12.86236 
1 1 1  -10   10    1 o  266.964   11.695 28965.89  2535.02 28184.06  4386.69 29357.91  3106.21  262.217   20.773  268.312   14.309 -6.095276 25.22486 
1 1 1  -10   10    2 o  681.015   33.015 189885.91 18255.82 187465.70 25847.24 192295.09 25788.12  672.002   47.680  680.873   46.933 -8.870789 66.90315 
1 1 1  -10   10    3 o  991.641   69.694 415230.59 55759.36 415230.59 55759.36   0.0000   0.0000  991.641   69.694  ?   ?  0.000000 69.69359 
1 1 1  -10   10    4 o  652.186   31.605 173871.91 16736.32 170186.59 23712.04 177530.41 23625.66  641.261   45.843  655.326   44.667 -14.06549 64.00518 
1 1 1  -10   10    5 o  440.060   21.592 78857.01  7715.17 80598.80 10958.06 77144.88 10864.35  443.180   30.640  433.466   31.074 9.713745 43.63972 
1 1 1  -10   10    6 o  613.764   29.565 153764.41 14734.01 157284.80 20879.04 150272.20 20795.28  617.708   41.876  603.534   42.711 14.17389 59.81470 
1 1 1  -10   10    7 o  151.484   8.1334  9347.09  996.743   0.0000   0.0000  9347.09  996.743  ?   ?   151.484   8.1334 0.000000 8.133362 
1 1 1  -10   10    8 o  815.726   31.899 272214.41 21128.00 290700.09 36692.26 263044.91 25842.14  835.283   54.397  800.183   39.774 35.09955 67.38738 
1 1 1  -10   10    9 o  335.884   14.297 45899.68  3899.19 39602.91  6847.46 48921.20  4743.33  309.920   27.496  346.620   16.854 -36.69995 32.25042 
1 1 1  -10   10   10 o  432.459   17.279 76275.09  6067.56 83048.05 10599.37 72973.85  7399.97  448.428   29.271  421.902   21.674 26.52539 36.42219 
1 1 1  -10   10   11 o  229.439   9.9941 21416.10  1861.87 21219.99  2278.94 21809.73  3228.77  227.929   12.360  230.413   17.386 -2.483948 21.33186 
1 1 1  -10   10   12 o  232.219   8.5024 21931.17  1603.17 23066.86  2262.91 20786.79  2271.56  237.970   11.711  225.515   12.454 12.45567 17.09530 
1 1 1  -10   10   13 o  223.227   8.3467 20269.59  1512.87 18998.38  2131.37 21560.44  2147.77  215.532   12.229  230.025   11.499 -14.49347 16.78664 
1 1 1  -10   10   14 o  420.645   14.687 72344.50  5016.34 68071.76  7089.09 76629.55  7099.29  405.833   21.591  431.555   20.260 -25.72202 29.60798 
1 1 1  -10   10   15 o  394.892   14.751 63847.48  4729.74 64790.86  6684.87 62901.83  6692.88  395.603   20.885  389.651   21.234 5.952332 29.78399 
1 1 1  -10   10   16 o   18.913   8.3056 -66.0948  245.533 -87.8817  295.472 -17.4794  441.373   20.602   9.0773   26.764   11.442 -6.162317 14.60560 
1 1 1  -10   10   17 o  212.031   8.0944 18324.79  1393.54 16407.60  1950.62 20323.27  1991.55  199.790   12.081  222.917   11.003 -23.12779 16.34071 
1 1 1  -10   10   18 o  164.979   8.0102 11114.14  1073.03 10903.17  1489.35 11341.84  1547.30  162.552   11.355  165.755   11.569 -3.202759 16.21085 
1 1 1  -10   10   19 o   88.017   7.4427  3190.43  526.922  3661.09  663.232  2384.92  867.654   94.084   8.7834   74.325   14.896 19.75887 17.29271 
1 1 1  -10   10   20 o  141.219   7.7735  8206.85  887.920  6825.23  1200.69  9874.33  1319.06  127.623   11.718  154.088   10.607 -26.46448 15.80573 
1 1 1  -10   10   21 o   62.163   9.6819  1637.61  472.779  2090.91  547.867  315.536  935.643   70.354   9.8615   41.580   17.141 28.77449 19.77519 
1 1 1  -10   10   22 o  126.491   8.6037  6664.31  878.400  6493.31  1135.28  6919.38  1386.55  123.666   11.436  126.510   13.718 -2.844246 17.85927 
1 1 1  -10   10   23 o   71.325   10.051  2181.42  565.954  2056.35  676.689  2472.56  1032.42   68.188   12.689   72.542   17.687 -4.354645 21.76810 
1 1 1  -10   10   24 f  107.260   9.8052  4936.67  844.504  4444.90  988.471  6265.75  1625.01  100.143   12.423  114.198   18.131 -14.05540 21.97878 
1 1 1  -10   10   25 o   31.176   11.674  362.453  398.780  477.562  422.986 -557.7849  1195.98   33.985   12.132   35.603   16.647 -1.617764 20.59850 
1 1 1  -10   12    1 o  956.338   37.506 374710.09 29124.31 361151.00 50452.39 381486.50 35667.16  927.277   67.472  962.852   45.622 -35.57489 81.44799 
1 1 1  -10   12    3 o  632.383   30.710 163315.00 15768.97 162313.30 22340.36 164309.70 22261.23  626.984   44.165  630.953   43.722 -3.968994 62.14642 
1 1 1  -10   12    4 o  828.385   39.937 281310.31 26862.15 278968.91 38036.52 283639.91 37941.30  818.789   57.579  825.868   56.928 -7.078918 80.96964 
1 1 1  -10   12    5 o  815.374   38.688 272403.09 25613.89 297328.81 36281.05 247635.00 36166.26  846.899   53.028  770.935   58.205 75.96472 78.73874 
1 1 1  -10   12    6 o  841.107   58.469 295029.41 39683.29   0.0000   0.0000 295029.41 39683.29  ?   ?   841.107   58.469 0.000000 58.46899 
1 1 1  -10   12    7 o  1281.09   53.717 681323.12 55876.66 650130.31 96921.71 696851.88 68385.14  1216.65   98.969  1287.13   65.652 -70.48730 118.7646 
1 1 1  -10   12    8 o  429.310   17.409 75064.79  6068.41 80155.45 10649.52 72617.02  7384.62  441.278   29.899  421.338   21.659 19.93991 36.91908 
1 1 1  -10   12    9 f  191.560   9.7519 14957.39  1511.80 10308.91  2778.95 16911.46  1801.75  157.220   22.402  203.623   10.938 -46.40253 24.92990 
1 1 1  -10   12   10 f  510.144   23.763 106842.50  9843.16 122234.40 14048.20 91998.52 13795.89  542.309   32.046  468.540   36.552 73.76901 48.61055 
1 1 1  -10   12   11 o  207.666   9.5520 17545.17  1610.64 18509.34  2942.41 17132.67  1924.59  212.105   17.234  204.779   11.623 7.325943 20.78689 
1 1 1  -10   12   12 o  471.796   19.015 91233.99  7284.46 92683.50 12757.07 90532.72  8873.31  469.700   33.673  468.863   23.308 0.8374634 40.95283 
1 1 1  -10   12   13 o  216.938   10.059 19165.92  1771.93 18706.03  3240.69 19362.05  2116.29  212.663   18.967  217.573   12.026 -4.909653 22.45789 
1 1 1  -10   12   14 o  425.478   17.721 74332.39  6121.98 68562.24 10756.02 77097.36  7445.66  401.756   33.272  432.267   21.214 -30.51050 39.45926 
1 1 1  -10   12   15 o   47.832   7.8660  955.706  294.881  1161.66  347.136  421.887  558.867   52.767   8.3824   37.012   13.828 15.75520 16.17022 
1 1 1  -10   12   16 o  193.858   8.1001 15310.24  1275.00 15085.06  1788.72 15542.82  1817.88  191.745   11.543  194.641   11.554 -2.895615 16.33209 
1 1 1  -10   12   17 o  151.270   7.0477  9323.54  865.639  8092.12  1183.56 10739.92  1269.34  140.241   10.469  161.808   9.7062 -21.56664 14.27647 
1 1 1  -10   12   18 o   38.898   9.2806  644.734  289.026  862.299  317.581 -404.5056  697.425   45.109   8.9864   29.431   13.375 15.67740 16.11356 
1 1 1  -10   12   19 o   67.761   8.0188  1907.78  432.637  1647.91  505.077  2623.83  838.407   62.421   10.326   78.235   13.697 -15.81468 17.15369 
1 1 1  -10   12   20 o   61.348   8.3230  1575.74  403.888  1545.12  468.346  1664.61  797.760   60.373   9.8971   61.396   15.883 -1.022717 18.71392 
1 1 1  -10   12   21 o   79.009   8.8551  2614.09  558.308  2467.02  641.855  3071.27  1131.69   76.205   10.666   82.585   17.424 -6.380508 20.42951 
1 1 1  -10   12   22 o   34.384   11.045  490.569  349.713  701.234  381.332 -624.0535  877.146   40.153   11.248   31.242   14.488 8.911760 18.34176 
1 1 1  -10   12   23 o  155.395   8.8212 10154.76  1108.43  9795.54  1456.70 10648.79  1708.32  150.410   12.028  155.476   13.671 -5.065384 18.20930 
1 1 1  -10   12   24 o  103.565   9.9115  4636.30  823.294  4269.19  925.170  6033.22  1804.72   98.095   11.856  107.641   21.402 -9.545258 24.46693 
1 1 1  -10   12   25 o   33.551   11.449  488.875  374.157  626.507  390.859 -1019.0630  1293.76   37.050   11.652   34.057   16.322 2.992416 20.05435 
1 1 1  -10   14    1 o  570.449   22.864 132524.09 10590.47 137647.91 18363.05 129970.50 12963.63  578.311   39.340  563.744   28.412 14.56689 48.52716 
1 1 1  -10   14    2 o  489.283   19.827 97422.93  7877.03 105604.50 13634.01 93323.66  9650.68  507.252   33.287  477.902   24.957 29.34927 41.60389 
1 1 1  -10   14    3 o  514.647   25.709 107972.90 10743.14 94138.20 15242.00 121631.50 15144.66  477.600   39.663  544.278   34.447 -66.67719 52.53309 
1 1 1  -10   14    4 o  509.594   24.882 105860.70 10295.35 112985.40 14618.96 98850.01 14501.41  524.365   34.529  489.917   36.721 34.44794 50.40538 
1 1 1  -10   14    5 o  214.933   17.361 18918.70  3003.97   0.0000   0.0000 18918.70  3003.97  ?   ?   214.933   17.361 0.000000 17.36109 
1 1 1  -10   14    6 o  542.575   26.384 120264.50 11623.36 125409.60 16514.96 115214.40 16361.93  551.185   37.117  527.880   38.437 23.30420 53.43351 
1 1 1  -10   14    7 o  903.880   42.692 338882.59 31332.51 384435.19 44398.24 293687.00 44223.98  952.895   57.654  826.844   66.432 126.0513 87.96157 
1 1 1  -10   14    8 o  455.855   19.215 84859.48  7112.38 83842.64 12509.71 85345.17  8645.70  448.945   34.584  455.927   23.434 -6.981903 41.77525 
1 1 1  -10   14    9 o  302.215   12.592 37198.36  3089.82 40682.60  5548.30 35632.00  3720.07  314.307   21.877  295.130   15.579 19.17728 26.85702 
1 1 1  -10   14   10 o  155.355   8.1289  9840.11  1021.84  9985.13  1943.81  9784.73  1201.21  155.628   15.592  154.786   9.6051 0.8423309 18.31326 
1 1 1  -10   14   11 o  347.350   14.377 49245.16  4054.71 50368.95  7221.63 48727.79  4899.96  348.359   25.713  344.632   17.569 3.727356 31.14186 
1 1 1  -10   14   12 o  417.772   17.307 71488.43  5870.72 69613.73 10373.12 72371.89  7120.89  406.959   31.641  419.496   20.906 -12.53714 37.92355 
1 1 1  -10   14   13 o  362.050   15.286 53646.77  4493.64 49920.51  7983.40 55374.84  5436.66  344.654   28.791  367.213   18.234 -22.55954 34.07948 
1 1 1  -10   14   14 o  328.203   13.620 44061.25  3629.46 50291.37  6526.67 41272.11  4366.96  347.426   23.271  316.530   17.054 30.89523 28.85080 
1 1 1  -10   14   15 o   88.732   8.7958  3239.64  625.368  1492.49  1481.89  3618.21  689.800   64.025   22.724   93.770   9.1775 -29.74412 24.50732 
1 1 1  -10   14   16 o  320.832   13.890 42300.76  3618.40 43358.60  6552.41 41836.63  4340.20  319.400   25.477  317.729   16.884 1.671326 30.56421 
1 1 1  -10   14   17 o  163.215   9.9721 10954.17  1315.21 12310.94  2859.65 10590.19  1481.16  169.478   21.248  160.141   11.467 9.336136 24.14452 
1 1 1  -10   14   18 o   80.433   12.629  2742.18  797.637  1328.92  1825.07  3075.86  886.815   64.049   24.737   85.118   13.264 -21.06918 28.06889 
1 1 1  -10   14   19 o  161.040   10.649 10779.38  1384.66  9695.01  3088.80 11052.10  1549.02  143.801   27.455  162.644   11.810 -18.84297 29.88772 
1 1 1  -10   14   20 o  244.608   10.739 24908.60  2132.89 24965.63  3020.04 24851.86  3012.68  241.256   15.499  240.706   15.497 0.5505371 21.91728 
1 1 1  -10   14   21 o   29.602   13.436 -344.3961  700.955 -3727.4419  2418.87 -34.2567  732.381   42.639   20.867   33.480   14.529 9.158932 25.42702 
1 1 1  -10   14   22 o  163.694   9.0334 11229.39  1196.02 10486.83  1606.77 12152.05  1791.06  155.738   12.820  167.336   13.292 -11.59818 18.46678 
1 1 1  -10   14   23 o  119.866   15.953  6613.77  1514.13   0.0000   0.0000  6613.77  1514.13  ?   ?   119.866   15.953 0.000000 15.95331 
1 1 1  -10   14   24 o  105.835   10.118  4891.89  858.856  4372.04  961.213  6950.25  1912.66   98.405   12.299  113.984   21.453 -15.57983 24.72830 
1 1 1  -10   14   25 o   85.905   10.171  3319.03  695.684  3085.47  773.091  4313.27  1595.06   81.242   12.088   82.423   22.974 -1.180504 25.95974 
1 1 1  -10   16    1 o  350.683   15.041 50011.41  4282.85 45746.98  7460.12 52107.93  5230.74  333.585   27.795  357.369   18.085 -23.78363 33.16108 
1 1 1  -10   16    2 o  1069.66   52.504 474519.69 45601.53   0.0000   0.0000 474519.69 45601.53  ?   ?   1069.66   52.504 0.000000 52.50446 
1 1 1  -10   16    3 o  985.097   69.780 412085.59 55453.71   0.0000   0.0000 412085.59 55453.71  ?   ?   985.097   69.780 0.000000 69.78026 
1 1 1  -10   16    4 f  605.890   29.789 150343.59 14655.15 148661.80 20804.10 152000.20 20647.82  598.193   43.121  605.165   42.286 -6.971985 60.39524 
1 1 1  -10   16    5 o  609.117   29.539 152198.41 14609.58 162225.50 20749.28 142340.00 20573.97  624.576   41.145  583.976   43.706 40.60016 60.02648 
1 1 1  -10   16    6 o  699.048   33.382 201653.59 18948.03 226723.50 26889.68 176927.91 26704.39  734.996   45.277  645.910   51.342 89.08594 68.45448 
1 1 1  -10   16    7 o  247.272   13.678 24982.74  2735.63 28164.96  3983.31 22141.94  3763.56  261.882   18.859  231.820   20.196 30.06189 27.63235 
1 1 1  -10   16    8 o  480.860   23.863 95005.96  9317.23 98155.59 13290.28 91961.90 13065.69  484.710   33.984  468.867   34.563 15.84338 48.47180 
1 1 1  -10   16    9 o  207.483   14.876 17656.37  2489.48  6254.67  3769.46 26476.65  3315.40  121.246   35.811  254.097   16.153 -132.8513 39.28588 
1 1 1  -10   16   10 f  370.202   17.377 56077.87  5223.51 41196.10  9307.12 62920.93  6311.22  310.851   37.642  391.165   19.937 -80.31421 42.59550 
1 1 1  -10   16   11 o  154.216   9.2995  9715.02  1159.02  4808.91  2315.27 11355.62  1338.85  105.704   26.907  166.707   9.9362 -61.00272 28.68258 
1 1 1  -10   16   12 o  672.679   27.487 188429.09 15013.24 184300.50 26276.26 190430.09 18293.25  644.796   50.595  672.152   33.519 -27.35602 60.69017 
1 1 1  -10   16   13 f  263.475   12.532 28357.89  2681.02 20641.05  4944.46 31571.59  3190.81  220.400   28.282  277.404   14.214 -57.00443 31.65262 
1 1 1  -10   16   14 o  324.142   14.004 43044.93  3685.67 41873.18  6697.43 43553.93  4414.19  315.080   26.423  324.997   16.785 -9.916595 31.30322 
1 1 1  -10   16   15 o  335.898   14.055 46336.64  3833.25 52665.29  6986.85 43611.39  4584.89  353.242   24.511  324.417   17.470 28.82581 30.09986 
1 1 1  -10   16   16 o   49.835   12.779  1060.43  519.537  3299.02  1205.28  549.575  575.774   87.572   17.562   39.503   14.149 48.06815 22.55254 
1 1 1  -10   16   17 o  235.973   11.708 22973.99  2243.35 22864.86  4375.28 23012.92  2612.95  228.702   23.915  235.089   13.749 -6.387360 27.58521 
1 1 1  -10   16   18 f  254.470   12.318 26917.21  2545.26 28187.97  4938.60 26457.58  2970.11  251.011   24.545  250.696   14.655 0.3154449 28.58719 
1 1 1  -10   16   19 o   88.883   12.265  3359.38  861.620  3507.55  2590.09  3340.94  913.656   86.352   30.092   88.349   13.136 -1.996933 32.83380 
1 1 1  -10   16   20 o  155.077   11.615 10143.67  1451.90 10673.26  3509.02 10034.28  1594.82  144.247   30.891  153.564   12.910 -9.317017 33.48040 
1 1 1  -10   16   21 o   61.944   16.701  1754.76  859.156 -718.9183  2962.54  1981.91  897.736   58.150   26.847   65.770   16.762 -7.619526 31.64971 
1 1 1  -10   16   22 f   58.211   18.557  1593.24  988.697   75.538  3334.99  1739.48  1035.24   61.644   28.469   60.473   18.954 1.171040 34.20102 
1 1 1  -10   16   23 o   57.705   21.469  1644.39  1344.35   0.0000   0.0000  1644.39  1344.35  ?   ?    57.705   21.469 0.000000 21.46872 
1 1 1  -10   16   24 f   49.380   21.555  919.841  1632.00   0.0000   0.0000  919.841  1632.00  ?   ?    49.380   21.555 0.000000 21.55548 
1 1 1  -10   18    1 o  221.188   11.278 19946.68  2018.70 18821.75  3577.52 20472.19  2445.17  213.710   20.884  223.887   13.514 -10.17696 24.87467 
1 1 1  -10   18    2 o  388.468   16.683 61497.99  5262.07 63799.80  9161.92 60364.94  6428.00  393.166   28.902  383.935   20.696 9.231171 35.54786 
1 1 1  -10   18    3 o  294.630   13.560 35338.61  3243.95 40080.60  5637.33 32991.03  3966.46  312.260   22.383  283.915   17.288 28.34454 28.28184 
1 1 1  -10   18    4 o  174.141   11.857 12397.10  1666.51 12922.51  2455.99 11948.76  2268.72  177.138   17.296  170.367   16.612 6.770889 23.98157 
1 1 1  -10   18    5 o  258.837   14.907 27402.32  3119.81 25899.12  4533.33 28754.80  4300.06  250.399   22.539  264.373   20.184 -13.97380 30.25542 
1 1 1  -10   18    6 o  505.242   25.038 104985.30 10271.45 110989.60 14646.76 99175.09 14408.22  515.149   35.228  486.197   36.769 28.95258 50.92099 
1 1 1  -10   18    7 o  499.519   25.135 102982.10 10162.04 104786.30 14496.82 101239.10 14248.98  499.666   35.972  491.091   35.985 8.575073 50.88143 
1 1 1  -10   18    8 o  305.942   16.784 38374.71  4153.38 36685.31  6015.90 39913.38  5741.25  297.297   25.157  310.747   22.916 -13.44992 34.02989 
1 1 1  -10   18    9 o  492.473   19.191 99443.13  7674.06 104512.00 13601.33 97075.99  9294.80  498.698   33.789  485.357   23.585 13.34116 41.20636 
1 1 1  -10   18   10 o  349.176   15.077 49840.33  4274.48 46400.65  7737.85 51350.96  5127.92  332.712   28.931  353.487   17.925 -20.77533 34.03352 
1 1 1  -10   18   11 o  143.343   8.2733  8389.17  958.838  9152.56  2003.73  8162.44  1091.98  148.484   16.922  141.248   9.5779 7.235550 19.44444 
1 1 1  -10   18   12 f  174.661   9.7156 12469.49  1372.41  8230.28  2784.78 13829.36  1577.24  138.520   25.706  183.852   10.611 -45.33179 27.80958 
1 1 1  -10   18   13 o  142.745   9.1199  8337.44  1051.51  3994.36  2293.99  9492.68  1183.12   96.331   27.791  152.288   9.6175 -55.95742 29.40796 
1 1 1  -10   18   14 o  117.944   8.9649  5705.78  852.113  4093.25  1986.71  6069.29  943.283   96.893   25.064  121.572   9.6348 -24.67948 26.85167 
1 1 1  -10   18   15 o  244.892   11.065 24579.60  2200.26 29289.03  4250.73 22855.99  2571.56  263.838   19.991  235.232   13.521 28.60664 24.13351 
1 1 1  -10   18   16 o  257.033   12.501 27285.66  2609.01 26961.35  5129.18 27398.86  3030.33  247.631   25.893  256.381   14.617 -8.750092 29.73363 
1 1 1  -10   18   17 o  241.201   12.180 24193.16  2377.73 23455.60  4690.33 24448.26  2758.46  228.452   25.734  241.491   14.129 -13.03883 29.35746 
1 1 1  -10   18   18 o   98.342   11.439  4071.39  896.344  4090.87  2470.96  4068.44  961.860   92.369   29.325   98.021   12.360 -5.651840 31.82368 
1 1 1  -10   18   19 o  151.970   11.326  9702.87  1387.53 11023.37  3394.07  9437.90  1520.38  149.448   29.016  149.245   12.666 0.2024994 31.66014 
1 1 1  -10   18   20 o   42.566   16.489  576.347  812.725  2085.95  2297.92  360.514  868.883   70.302   27.587   40.626   16.606 29.67562 32.19929 
1 1 1  -10   18   21 o   61.481   17.392  1761.59  907.149  2942.11  3296.34  1664.86  943.583   76.726   31.947   59.783   17.978 16.94288 36.65789 
1 1 1  -10   18   22 o   71.687   19.196  2549.90  1139.67   0.0000   0.0000  2549.90  1139.67  ?   ?    71.687   19.196 0.000000 19.19624 
1 1 1  -10   18   23 o   63.103   22.619  2254.24  1471.70   0.0000   0.0000  2254.24  1471.70  ?   ?    63.103   22.619 0.000000 22.61911 
1 1 1  -10   18   24 o   44.498   19.643  665.055  1390.09   0.0000   0.0000  665.055  1390.09  ?   ?    44.498   19.643 0.000000 19.64311 
1 1 1  -10   20    1 o  541.197   39.634 123186.80 17295.25   0.0000   0.0000 123186.80 17295.25  ?   ?   541.197   39.634 0.000000 39.63369 
1 1 1  -10   20    2 o  396.547   20.869 64575.85  6695.82 67469.78  9591.51 61824.83  9351.69  403.109   29.509  385.613   30.106 17.49600 42.15647 
1 1 1  -10   20    3 o  484.776   19.957 96201.27  7855.45 94425.62 13646.15 97081.31  9606.83  474.789   35.658  485.397   24.453 -10.60849 43.23718 
1 1 1  -10   20    4 o  120.775   11.211  5988.75  1086.91  6492.50  1675.46  5622.71  1428.21  124.950   16.952  116.372   15.500 8.578102 22.97019 
1 1 1  -10   20    5 o  199.415   13.246 16279.82  2132.58 15337.85  3147.94 17078.82  2899.23  192.395   20.465  203.621   17.712 -11.22572 27.06538 
1 1 1  -10   20    6 o  407.452   31.252 69379.18 10260.63 69379.18 10260.63   0.0000   0.0000  407.452   31.252  ?   ?  0.000000 31.25230 
1 1 1  -10   20    7 o  457.648   23.533 86488.99  8715.15 87282.16 12500.56 85738.84 12156.79  455.606   34.037  451.839   33.372 3.767395 47.66754 
1 1 1  -10   20    8 o  501.530   25.227 104242.40 10240.12 110171.00 14663.43 98598.79 14306.61  510.562   35.594  482.216   36.817 28.34531 51.20962 
1 1 1  -10   20    9 o   62.540   14.090  1661.05  698.332  619.598  1181.72  2219.90  865.651   50.470   19.790   72.339   15.220 -21.86872 24.96560 
1 1 1  -10   20   10 o  318.133   13.106 41342.84  3385.50 44862.78  6293.74 39909.65  4016.01  328.294   23.772  311.720   15.920 16.57443 28.60999 
1 1 1  -10   20   11 o  182.725   8.9853 13599.75  1333.11 15831.17  2742.63 12909.44  1525.44  195.510   17.460  177.598   10.627 17.91302 20.44021 
1 1 1  -10   20   12 o  272.559   12.801 30392.96  2833.02 25382.17  5400.65 32295.25  3327.61  244.261   27.721  280.251   14.674 -35.99013 31.36578 
1 1 1  -10   20   13 o  361.781   16.120 53940.27  4735.21 44520.31  8717.21 57883.26  5639.83  319.042   34.183  373.858   18.579 -54.81522 38.90541 
1 1 1  -10   20   14 o  319.963   13.638 42168.08  3543.15 46839.75  6703.02 40356.66  4173.93  330.766   25.146  311.547   16.559 19.21869 30.10906 
1 1 1  -10   20   15 f  103.375   9.2588  4412.89  768.922  4863.58  2530.01  4367.02  807.100  103.154   28.998  102.728   9.7947 0.4259949 30.60772 
1 1 1  -10   20   16 o  204.070   11.093 17252.06  1831.10 19396.76  4149.42 16733.41  2040.54  208.372   25.026  200.388   12.605 7.984238 28.02091 
1 1 1  -10   20   17 o   77.004   11.487  2513.62  696.230  1197.69  2577.86  2617.16  723.102   68.595   28.380   78.547   11.695 -9.951569 30.69533 
1 1 1  -10   20   18 o  195.437   11.880 16041.31  1876.35 14623.89  4305.16 16373.70  2084.77  169.892   32.391  196.741   13.126 -26.84915 34.94961 
1 1 1  -10   20   19 o  220.523   12.521 20643.72  2232.74 19688.84  4808.87 20906.13  2520.93  194.846   31.468  220.606   14.148 -25.75961 34.50242 
1 1 1  -10   20   20 f  135.117   12.064  7833.94  1309.67  4159.14  3840.69  8317.47  1393.17   85.651   34.950  138.995   12.477 -53.34467 37.11031 
1 1 1  -10   20   21 f   42.455   17.171  528.186  917.493 -463.6221  3444.50  603.929  951.882   59.539   27.969   43.805   17.570 15.73471 33.02985 
1 1 1  -10   20   22 o   76.121   25.804  3501.39  1900.66   0.0000   0.0000  3501.39  1900.66  ?   ?    76.121   25.804 0.000000 25.80419 
1 1 1  -10   20   23 o   37.342   17.358 -346.8697  1270.21   0.0000   0.0000 -346.8697  1270.21  ?   ?    37.342   17.358 0.000000 17.35774 
1 1 1  -10   22    1 o  259.156   15.872 27530.18  3323.88   0.0000   0.0000 27530.18  3323.88  ?   ?   259.156   15.872 0.000000 15.87239 
1 1 1  -10   22    2 o  450.915   19.133 83275.23  7005.09 74913.60 12266.18 87322.22  8533.56  421.552   36.187  460.895   22.803 -39.34232 42.77217 
1 1 1  -10   22    3 o  326.754   14.990 43588.43  3977.00 41414.27  6953.55 44645.38  4848.24  315.324   27.432  329.772   18.177 -14.44757 32.90759 
1 1 1  -10   22    4 o  423.952   23.039 74184.31  7901.17 69792.16 11029.13 78814.93 11324.60  407.407   33.642  433.622   32.398 -26.21518 46.70551 
1 1 1  -10   22    5 o  238.952   15.029 23415.16  2901.08 23085.18  4283.82 23694.71  3942.86  235.762   22.657  239.364   20.484 -3.601990 30.54399 
1 1 1  -10   22    6 o  532.810   27.437 118093.70 11829.72 117889.20 16950.73 118287.80 16517.21  525.313   40.042  526.949   38.878 -1.635742 55.81110 
1 1 1  -10   22    7 o  534.109   27.545 118904.80 11904.82 118706.50 17079.73 119092.20 16602.35  525.995   40.297  527.729   39.022 -1.733765 56.09457 
1 1 1  -10   22    8 o  287.367   17.174 33987.98  3988.98 29893.51  5896.16 37443.77  5416.82  266.507   27.650  300.293   22.376 -33.78625 35.56968 
1 1 1  -10   22    9 o  205.923   13.965 17422.96  2321.24 16305.87  3571.13 18240.23  3054.53  197.230   22.714  209.890   18.100 -12.65971 29.04408 
1 1 1  -10   22   10 o  204.842   9.1913 17097.51  1528.74 23416.21  3252.71 15306.04  1731.95  238.109   16.934  193.342   11.079 44.76674 20.23637 
1 1 1  -10   22   11 o  308.006   13.120 38849.27  3281.10 40025.06  6266.85 38405.25  3851.12  308.126   25.271  305.317   15.586 2.808380 29.69108 
1 1 1  -10   22   12 o  118.920   8.2300  5792.92  789.789  6667.28  2139.25  5654.93  849.826  124.607   21.945  117.386   8.9843 7.220390 23.71324 
1 1 1  -10   22   13 o   96.051   8.5527  3797.72  660.050  102.298  1968.24  4265.96  700.620   56.560   24.171  101.844   8.5516 -45.28331 25.63965 
1 1 1  -10   22   14 o  107.825   9.5290  4804.17  825.685  5161.27  2801.23  4770.19  864.074  105.707   30.772  107.339   10.030 -1.632431 32.36563 
1 1 1  -10   22   15 o   61.435   12.328  1618.54  593.599  3474.76  2623.88  1518.42  609.398   88.244   30.313   59.336   13.007 28.90775 32.98626 
1 1 1  -10   22   16 o   24.777   11.146 -217.2499  469.995 -3449.6780  2143.95 -54.0676  481.712   40.907   19.938   27.207   11.795 13.69946 23.16558 
1 1 1  -10   22   17 o  102.818   10.894  4446.50  895.648  7542.48  3341.57  4206.86  929.665  120.375   33.140   99.715   11.705 20.66031 35.14594 
1 1 1  -10   22   18 o  127.279   11.504  6855.12  1176.00 10024.92  3832.27  6525.60  1235.61  134.686   34.795  123.724   12.470 10.96192 36.96229 
1 1 1  -10   22   19 o  241.841   12.579 25033.43  2461.59 45316.13  5965.64 20871.43  2702.37  305.485   24.250  218.034   15.363 87.45082 28.70685 
1 1 1  -10   22   20 o  160.879   12.968 11302.03  1679.66  6174.69  5072.59 11933.44  1780.08   89.934   38.629  164.940   13.408 -75.00594 40.88924 
1 1 1  -10   22   21 o  112.297   14.585  5779.13  1298.51   0.0000   0.0000  5779.13  1298.51  ?   ?   112.297   14.585 0.000000 14.58546 
1 1 1  -10   22   22 o   32.513   16.073 -2440.7581  1557.76   0.0000   0.0000 -2440.7581  1557.76  ?   ?    32.513   16.073 0.000000 16.07253 
1 1 1  -10   24    1 o  230.066   22.819 22017.03  4206.54   0.0000   0.0000 22017.03  4206.54  ?   ?   230.066   22.819 0.000000 22.81929 
1 1 1  -10   24    2 f  205.443   15.296 17347.29  2533.22   0.0000   0.0000 17347.29  2533.22  ?   ?   205.443   15.296 0.000000 15.29556 
1 1 1  -10   24    3 o  169.934   11.943 11832.28  1637.45 13705.03  3032.00 11061.16  1945.58  181.357   20.977  163.862   14.782 17.49490 25.66227 
1 1 1  -10   24    4 o   45.949   15.796  786.236  712.510  1339.58  1434.59  605.043  820.919   62.018   22.321   44.624   16.742 17.39407 27.90225 
1 1 1  -10   24    5 o  252.736   13.518 26165.57  2764.05 22913.02  4831.31 27748.18  3370.07  233.601   25.908  259.823   16.053 -26.22136 30.47796 
1 1 1  -10   24    6 o  193.666   14.304 15421.30  2233.45 16155.02  3436.08 14884.51  2939.01  196.635   21.893  189.244   19.401 7.391708 29.25218 
1 1 1  -10   24    7 o  556.472   29.403 130283.80 13238.36 125988.80 19048.36 134296.50 18411.61  535.610   44.194  555.896   41.082 -20.28564 60.33935 
1 1 1  -10   24    8 o  202.196   14.742 16838.57  2403.58 13886.32  3726.74 18941.27  3145.15  180.614   26.175  213.723   18.300 -33.10889 31.93777 
1 1 1  -10   24    9 o  187.860   14.693 14562.75  2223.30 11840.10  3541.23 16334.20  2856.44  165.887   27.236  198.273   17.937 -32.38628 32.61225 
1 1 1  -10   24   10 o  171.243   14.053 12117.88  1936.77 10205.62  3194.13 13229.73  2435.59  153.525   26.586  178.269   17.034 -24.74432 31.57491 
1 1 1  -10   24   11 o  316.303   13.815 41176.45  3547.98 39416.63  6904.50 41807.88  4135.79  301.766   28.517  317.568   16.092 -15.80185 32.74382 
1 1 1  -10   24   12 o  168.582   9.4887 11672.07  1293.56 12503.16  3124.62 11500.17  1421.05  169.875   23.265  167.111   10.527 2.763062 25.53523 
1 1 1  -10   24   13 o   70.078   9.5298  2051.39  528.192  341.078  2688.10  2120.08  538.694   65.704   28.168   71.258   9.5507 -5.554558 29.74294 
1 1 1  -10   24   14 o   64.511   12.208  1780.58  616.037  1052.20  2884.12  1815.41  630.590   71.055   29.759   65.114   12.379 5.940636 32.23113 
1 1 1  -10   24   15 o  126.419   9.8067  6637.92  998.765  5508.95  3601.73  6731.96  1039.53  104.474   35.521  127.216   10.148 -22.74190 36.94234 
1 1 1  -10   24   16 o  105.187   10.533  4642.10  887.508  5590.24  3637.97  4582.10  915.159  102.759   35.671  104.359   10.964 -1.599655 37.31815 
1 1 1  -10   24   17 o  132.983   11.298  7467.24  1208.35  4892.06  4226.54  7696.46  1260.98   94.804   37.346  134.870   11.628 -40.06650 39.11434 
1 1 1  -10   24   18 o   71.028   14.960  2264.74  835.513  3416.14  3385.40  2190.05  862.183   81.807   33.020   69.550   15.646 12.25632 36.53939 
1 1 1  -10   24   19 o   82.777   14.496  3083.94  938.815  5568.73  4554.12  2973.66  959.422   88.951   37.332   80.892   15.164 8.059174 40.29404 
1 1 1  -10   24   20 o   42.505   18.051  382.504  1085.21   0.0000   0.0000  382.504  1085.21  ?   ?    42.505   18.051 0.000000 18.05092 
1 1 1  -10   24   21 o   41.032   18.832 -179.6544  1428.00   0.0000   0.0000 -179.6544  1428.00  ?   ?    41.032   18.832 0.000000 18.83221 
1 1 1  -10   24   22 o   42.532   20.102 -185.1021  1828.54   0.0000   0.0000 -185.1021  1828.54  ?   ?    42.532   20.102 0.000000 20.10195 
1 1 1  -10   26    1 o   42.847   19.376 -776.2026  1441.84   0.0000   0.0000 -776.2026  1441.84  ?   ?    42.847   19.376 0.000000 19.37572 
1 1 1  -10   26    2 o  432.013   35.495 79751.43 12340.75   0.0000   0.0000 79751.43 12340.75  ?   ?   432.013   35.495 0.000000 35.49472 
1 1 1  -10   26    3 o  302.738   28.617 38676.78  6951.00   0.0000   0.0000 38676.78  6951.00  ?   ?   302.738   28.617 0.000000 28.61690 
1 1 1  -10   26    4 o  150.053   29.132  9743.29  3421.46   0.0000   0.0000  9743.29  3421.46  ?   ?   150.053   29.132 0.000000 29.13249 
1 1 1  -10   26    5 o   75.196   20.118  2415.43  1252.40   0.0000   0.0000  2415.43  1252.40  ?   ?    75.196   20.118 0.000000 20.11797 
1 1 1  -10   26    6 o  266.363   23.477 29739.41  5025.64   0.0000   0.0000 29739.41  5025.64  ?   ?   266.363   23.477 0.000000 23.47702 
1 1 1  -10   26    7 o  303.147   25.331 38767.07  6178.05   0.0000   0.0000 38767.07  6178.05  ?   ?   303.147   25.331 0.000000 25.33127 
1 1 1  -10   26    8 o  336.370   27.320 48219.81  7397.19   0.0000   0.0000 48219.81  7397.19  ?   ?   336.370   27.320 0.000000 27.31996 
1 1 1  -10   26    9 o  156.888   14.943 10238.48  1880.61 11621.50  3424.79  9641.43  2250.22  163.282   26.759  151.167   18.734 12.11497 32.66525 
1 1 1  -10   26   10 o  273.263   17.647 31273.86  3894.56 33327.39  6157.47 29904.55  5028.07  276.034   27.854  263.975   23.711 12.05875 36.57935 
1 1 1  -10   26   11 o   87.949   8.6063  3195.51  606.712  5094.04  2522.69  3078.95  625.058  105.451   28.697   86.233   9.0627 19.21804 30.09369 
1 1 1  -10   26   12 o  199.505   9.9331 16373.89  1609.08 21768.88  4038.11 15355.58  1754.38  223.103   22.603  192.527   11.272 30.57553 25.25781 
1 1 1  -10   26   13 o   12.330   6.2096 -896.6264  285.110 -1416.7490  2379.18 -889.0484  287.179   52.052   24.041   12.450   6.2652 39.60253 24.84406 
1 1 1  -10   26   14 o  104.127   9.5201  4512.49  795.994  3262.04  3168.36  4596.74  822.370   86.257   32.771  105.040   9.7535 -18.78320 34.19193 
1 1 1  -10   26   15 o   82.154   10.962  2858.99  713.019  2224.43  3723.62  2883.15  726.461   80.401   33.751   82.452   11.136 -2.050789 35.54030 
1 1 1  -10   26   16 o  109.510   10.994  5071.60  964.349  6668.58  4308.41  4987.37  989.453  105.446   38.573  108.422   11.411 -2.976318 40.22501 
1 1 1  -10   26   17 o   94.975   12.564  3905.97  945.127  1812.21  4616.16  3997.58  965.582   77.246   34.824   96.037   12.694 -18.79154 37.06509 
1 1 1  -10   26   18 f   51.058   21.224  745.958  1451.41  5847.98  3939.82 -55.1944  1561.21   92.060   36.123   46.055   20.546 46.00420 41.55722 
1 1 1  -10   26   19 o  121.480   23.104  7744.12  2195.69  7319.60  6024.26  7809.16  2357.88   84.685   38.798  119.519   25.096 -34.83377 46.20723 
1 1 1  -10   26   20 o   92.824   26.016  5362.09  2039.53   0.0000   0.0000  5362.09  2039.53  ?   ?    92.824   26.016 0.000000 26.01556 
1 1 1  -10   26   21 o   49.064   22.374  892.713  1973.11   0.0000   0.0000  892.713  1973.11  ?   ?    49.064   22.374 0.000000 22.37413 
1 1 1  -10   28    1 o  184.878   17.109 14185.69  2539.16   0.0000   0.0000 14185.69  2539.16  ?   ?   184.878   17.109 0.000000 17.10870 
1 1 1  -10   28    2 o  452.507   25.347 85998.56  9275.38   0.0000   0.0000 85998.56  9275.38  ?   ?   452.507   25.347 0.000000 25.34656 
1 1 1  -10   28    3 o   81.702   20.522  2875.00  1359.60  4555.27  3194.66  2503.35  1502.45  103.672   33.390   76.814   22.587 26.85800 40.31202 
1 1 1  -10   28    4 o  285.247   16.254 33618.05  3748.95 35638.39  6894.68 32769.97  4467.02  287.940   29.927  280.461   19.742 7.478790 35.85212 
1 1 1  -10   28    5 o  310.711   16.739 39968.39  4207.44 46351.01  7599.62 37147.31  5052.42  328.690   28.765  297.846   21.027 30.84421 35.63043 
1 1 1  -10   28    6 o  421.570   26.725 75941.41  9100.63 78189.56 12582.15 73474.89 13179.06  417.986   37.471  401.525   40.999 16.46167 55.54216 
1 1 1  -10   28    7 o   58.485   25.873 -546.0909  2424.41 -546.0909  2424.41   0.0000   0.0000   58.485   25.873  ?   ?  0.000000 25.87325 
1 1 1  -10   28    8 o   52.883   23.767 -805.3763  2130.82 -805.3763  2130.82   0.0000   0.0000   52.883   23.767  ?   ?  0.000000 23.76688 
1 1 1  -10   28    9 o   47.325   21.960 -1521.7841  2019.63 -1521.7841  2019.63   0.0000   0.0000   47.325   21.960  ?   ?  0.000000 21.96029 
1 1 1  -10   28   12 o  159.477   13.526 10725.56  1734.95   0.0000   0.0000 10725.56  1734.95  ?   ?   159.477   13.526 0.000000 13.52582 
1 1 1  -10   28   13 o  192.187   15.815 15850.24  2446.06   0.0000   0.0000 15850.24  2446.06  ?   ?   192.187   15.815 0.000000 15.81529 
1 1 1  -10   28   14 o  141.391   10.750  8383.98  1224.95   0.0000   0.0000  8383.98  1224.95  ?   ?   141.391   10.750 0.000000 10.75037 
1 1 1  -10   28   15 f   70.500   12.299  2157.20  678.457   0.0000   0.0000  2157.20  678.457  ?   ?    70.500   12.299 0.000000 12.29943 
1 1 1  -10   28   16 o  155.112   21.324 11390.05  2614.64   0.0000   0.0000 11390.05  2614.64  ?   ?   155.112   21.324 0.000000 21.32408 
1 1 1  -10   28   17 o   43.345   18.922  129.857  1257.72   0.0000   0.0000  129.857  1257.72  ?   ?    43.345   18.922 0.000000 18.92214 
1 1 1  -10   28   18 o   22.432   11.061 -1412.3409  721.583   0.0000   0.0000 -1412.3409  721.583  ?   ?    22.432   11.061 0.000000 11.06079 
1 1 1  -10   28   19 o   91.264   23.234  4794.08  1726.19   0.0000   0.0000  4794.08  1726.19  ?   ?    91.264   23.234 0.000000 23.23381 
1 1 1  -10   28   20 o   34.828   16.675 -887.0935  1342.91   0.0000   0.0000 -887.0935  1342.91  ?   ?    34.828   16.675 0.000000 16.67491 
1 1 1  -10   30    1 o  240.341   19.143 24258.84  3704.82   0.0000   0.0000 24258.84  3704.82  ?   ?   240.341   19.143 0.000000 19.14332 
1 1 1  -10   30    2 f   69.645   22.955  1985.02  1505.55   0.0000   0.0000  1985.02  1505.55  ?   ?    69.645   22.955 0.000000 22.95473 
1 1 1  -10   30    3 o  258.630   19.862 28214.21  4139.14   0.0000   0.0000 28214.21  4139.14  ?   ?   258.630   19.862 0.000000 19.86198 
1 1 1  -10   30    4 o  246.368   16.801 25387.15  3340.85 29432.91  6493.17 23930.51  3896.14  256.152   31.911  237.520   20.400 18.63135 37.87453 
1 1 1  -10   30    5 o  118.978   18.444  6067.19  1724.11  3326.82  3632.64  6863.97  1958.79   93.113   35.159  126.244   19.757 -33.13137 40.32945 
1 1 1  -10   30    6 o  134.921   17.008  7735.66  1821.82  8734.00  3842.98  7446.25  2069.10  135.353   34.780  131.224   20.056 4.128937 40.14845 
1 1 1  -10   30    7 o  160.575   16.592 10928.06  2132.05  9851.42  4196.39 11302.68  2475.34  142.022   36.264  162.226   19.162 -20.20390 41.01503 
1 1 1  -10   30    8 o  264.500   19.833 30087.12  4228.34 31927.33  7081.64 29067.60  5271.07  258.683   34.581  255.139   25.798 3.543533 43.14388 
1 1 1  -10   30    9 o  335.286   22.349 49333.75  6049.43 51758.38  9660.90 47769.87  7758.86  322.711   37.573  320.321   30.187 2.390198 48.19739 
1 1 1  -10   30   10 o   85.128   22.046  3306.14  1535.98  6460.64  3712.44  2654.62  1687.16  112.246   35.978   76.703   24.219 35.54237 43.37033 
1 1 1  -10   30   11 o  157.639   10.169 10335.44  1294.63 12806.76  4739.63 10136.18  1345.81  154.389   38.052  155.908   10.696 -1.519287 39.52703 
1 1 1  -10   30   12 o  101.101   9.5770  4271.15  776.808  3009.73  4147.21  4317.02  790.805   86.238   35.864  101.608   9.7032 -15.37025 37.15351 
1 1 1  -10   30   13 o   51.257   19.253  967.944  1086.19  3140.82  3250.00  694.719  1152.46   82.394   32.656   48.744   19.406 33.65001 37.98664 
1 1 1  -10   30   14 o   75.685   23.028  2782.18  1541.46 -686.6143  3662.14  3529.08  1699.32   63.864   29.613   84.564   23.763 -20.69964 37.96838 
1 1 1  -10   30   15 o   52.433   13.566  1234.95  581.980 -1509.2791  4319.21  1285.70  587.336   63.519   30.272   53.501   13.516 10.01823 33.15234 
1 1 1  -10   30   16 o   82.694   12.412  3020.00  807.644  1504.61  4851.11  3063.20  819.075   71.166   33.355   83.245   12.504 -12.07911 35.62139 
1 1 1  -10   30   17 o  120.338   12.855  6484.06  1236.62  1922.81  5869.77  6695.91  1265.01   68.883   33.441  122.225   12.944 -53.34132 35.85815 
1 1 1  -10   30   18 o   63.470   22.698  2369.65  1481.17   0.0000   0.0000  2369.65  1481.17  ?   ?    63.470   22.698 0.000000 22.69800 
1 1 1  -10   32    1 o  232.086   20.208 23108.22  3770.17   0.0000   0.0000 23108.22  3770.17  ?   ?   232.086   20.208 0.000000 20.20826 
1 1 1  -10   32    2 o  345.135   23.609 51929.58  6576.29   0.0000   0.0000 51929.58  6576.29  ?   ?   345.135   23.609 0.000000 23.60852 
1 1 1  -10   32    3 o  253.072   21.242 27683.19  4324.57   0.0000   0.0000 27683.19  4324.57  ?   ?   253.072   21.242 0.000000 21.24208 
1 1 1  -10   32    4 o  316.795   22.966 43851.86  5867.25   0.0000   0.0000 43851.86  5867.25  ?   ?   316.795   22.966 0.000000 22.96556 
1 1 1  -10   32    5 o  112.319   21.631  5618.84  1901.15  282.549  4437.33  6818.63  2104.04   79.350   35.058  123.975   21.692 -44.62533 41.22652 
1 1 1  -10   32    6 o  269.113   18.804 31145.21  4083.09 36650.95  7962.80 29181.16  4755.93  271.892   37.032  256.907   23.044 14.98502 43.61670 
1 1 1  -10   32    7 o  116.843   20.664  6079.88  1888.71  6060.94  4588.24  6083.74  2072.45  109.054   39.819  115.807   22.851 -6.752892 45.90998 
1 1 1  -10   32    8 o  159.419   19.906 11204.01  2520.51 10214.71  5608.75 11454.36  2821.45  132.159   44.330  159.612   22.386 -27.45308 49.66142 
1 1 1  -10   32    9 o   94.257   24.376  4188.08  1879.45 10132.57  4749.57  3084.44  2046.50  133.617   40.369   81.311   26.761 52.30661 48.43378 
1 1 1  -10   32   10 f   85.926   22.788  3471.36  1615.85  3348.14  4753.68  3487.46  1718.16   89.747   37.928   85.749   23.824 3.998314 44.78936 
1 1 1  -10   32   11 f   68.169   22.553  2124.45  1452.81  5574.10  4802.58  1776.97  1524.22   98.925   39.540   64.228   23.020 34.69679 45.75248 
1 1 1  -10   32   12 f  103.841   9.9243  4542.89  826.583 10555.76  4639.73  4345.79  840.021  128.346   40.109  101.385   10.349 26.96151 41.42302 
1 1 1  -10   32   13 o   97.749   10.200  4057.20  797.652  4157.79  5625.17  4055.14  805.795   86.729   38.822   97.675   10.316 -10.94628 40.16970 
1 1 1  -10   32   14 o   40.866   13.003  723.156  485.615  3767.14  5477.53  699.042  487.534   81.078   37.091   40.339   13.049 40.73926 39.31931 
1 1 1  -10   32   15 f   26.659   11.807 -100.6809  506.370 -1631.2090  5749.36 -88.7157  508.345   64.564   31.714   26.858   11.866 37.70613 33.86141 
1 1 1  -10   32   16 o   44.529   14.982  908.495  640.649  4526.10  6193.03  869.364  644.104   71.558   34.647   43.811   15.021 27.74740 37.76268 
1 1 1  -10   32   17 o   47.120   21.005  617.224  1628.42   0.0000   0.0000  617.224  1628.42  ?   ?    47.120   21.005 0.000000 21.00469 
1 1 1  -10   34    1 o   96.459   27.049  4384.82  2204.15   0.0000   0.0000  4384.82  2204.15  ?   ?    96.459   27.049 0.000000 27.04889 
1 1 1  -10   34    2 o  124.579   26.018  7225.67  2546.88   0.0000   0.0000  7225.67  2546.88  ?   ?   124.579   26.018 0.000000 26.01781 
1 1 1  -10   34    3 o  235.389   22.615 24696.58  4269.10   0.0000   0.0000 24696.58  4269.10  ?   ?   235.389   22.615 0.000000 22.61467 
1 1 1  -10   34    4 o   93.633   27.848  4189.86  2273.25   0.0000   0.0000  4189.86  2273.25  ?   ?    93.633   27.848 0.000000 27.84773 
1 1 1  -10   34    5 o   96.293   27.919  4480.15  2309.98 11589.89  5502.44  2959.03  2545.12  140.423   43.646   81.505   29.672 58.91746 52.77707 
1 1 1  -10   34    6 o  109.923   26.857  5828.49  2376.67  3984.58  5586.49  6235.97  2626.18   96.332   40.934  112.634   28.649 -16.30181 49.96325 
1 1 1  -10   34    7 o   86.098   26.350  3571.90  2014.36 -6605.2129  5411.52  5208.85  2170.33   63.627   31.154  103.888   25.837 -40.26035 40.47351 
1 1 1  -10   34    8 o  106.624   24.091  5429.75  2036.54  6353.38  5819.47  5300.85  2174.01  103.762   42.758  104.205   25.825 -0.4424744 49.95211 
1 1 1  -10   34    9 o   78.851   25.827  3025.33  1907.07  1519.14  6002.48  3194.44  2011.28   83.982   38.569   80.637   26.529 3.344246 46.81187 
1 1 1  -10   34   10 o  164.591   23.959 13050.43  3107.94 20819.84  7558.49 11469.54  3409.51  159.686   51.352  148.584   29.302 11.10208 59.12411 
1 1 1  -10   34   11 o   81.774   24.252  3388.61  1725.89 -6696.1318  6457.25  4164.48  1791.05   64.858   32.179   90.892   23.937 -26.03474 40.10559 
1 1 1  -10   34   12 o  101.621   10.317  4411.97  839.503  5692.25  7005.02  4393.31  845.597   87.327   40.649  101.353   10.424 -14.02563 41.96390 
1 1 1  -10   34   13 o   89.120   11.071  3456.73  783.863  2085.31  7291.24  3472.77  788.433   74.966   36.589   89.306   11.113 -14.34041 38.23923 
1 1 1  -10   34   14 o   68.974   11.947  2136.98  644.828 -117.4019  6354.11  2160.44  648.174   65.455   32.376   69.364   11.939 -3.909081 34.50766 
1 1 1  -10   34   15 o   67.217   25.215  2878.18  1862.04   0.0000   0.0000  2878.18  1862.04  ?   ?    67.217   25.215 0.000000 25.21524 
1 1 1  -10   34   16 o   52.429   22.240  1501.87  1644.22   0.0000   0.0000  1501.87  1644.22  ?   ?    52.429   22.240 0.000000 22.23968 
1 1 1  -10   36    1 o   88.634   33.499  3796.04  3299.73   0.0000   0.0000  3796.04  3299.73  ?   ?    88.634   33.499 0.000000 33.49894 
1 1 1  -10   36    2 o  141.583   36.285 10968.00  4190.56   0.0000   0.0000 10968.00  4190.56  ?   ?   141.583   36.285 0.000000 36.28535 
1 1 1  -10   36    3 o  171.030   35.007 15578.91  4697.69   0.0000   0.0000 15578.91  4697.69  ?   ?   171.030   35.007 0.000000 35.00684 
1 1 1  -10   36    4 f  111.248   31.311  6500.03  2947.80   0.0000   0.0000  6500.03  2947.80  ?   ?   111.248   31.311 0.000000 31.31075 
1 1 1  -10   36    5 o   51.971   23.151 -175.9720  1974.59   0.0000   0.0000 -175.9720  1974.59  ?   ?    51.971   23.151 0.000000 23.15120 
1 1 1  -10   36    6 o  232.921   23.719 25671.51  4423.22 51050.22 10380.69 20041.49  4889.29  277.829   47.736  195.146   31.964 82.68294 57.44933 
1 1 1  -10   36    7 o   50.418   22.476 -123.1946  1864.63 -4569.4150  6560.55  267.534  1944.83   70.433   34.447   53.809   23.509 16.62418 41.70443 
1 1 1  -10   36    8 f   68.816   24.607  2253.15  1740.81 -6987.6152  7078.31  2848.06  1795.97   67.562   33.549   75.414   25.081 -7.852394 41.88828 
1 1 1  -10   36    9 o  123.791   27.006  8084.05  2638.18  876.747  8318.00  8890.14  2781.80   80.738   39.334  129.715   27.277 -48.97793 47.86625 
1 1 1  -10   36   10 o  109.768   29.599  6982.08  2698.33 -2571.0601  9047.51  7914.76  2826.99   74.077   36.969  117.265   29.668 -43.18817 47.40136 
1 1 1  -10   36   11 o   81.064   28.900  4032.80  2399.42  3886.59  8958.87  4044.10  2490.40   77.631   38.407   80.705   29.356 -3.074303 48.34114 
1 1 1  -10   36   12 o   39.916   11.882  715.898  413.693 -61.7854  8927.58  717.572  414.138   68.449   34.508   39.958   11.887 28.49085 36.49757 
1 1 1  -10   36   13 f   64.660   26.387  2662.63  2189.47  3669.13  9739.71  2609.06  2246.98   66.749   33.913   64.168   26.518 2.581467 43.05014 
1 1 1  -10   36   14 o   84.244   30.962  6308.69  2780.68   0.0000   0.0000  6308.69  2780.68  ?   ?    84.244   30.962 0.000000 30.96223 
1 1 1  -10   38    1 o  161.654   32.181 14246.86  4075.48   0.0000   0.0000 14246.86  4075.48  ?   ?   161.654   32.181 0.000000 32.18074 
1 1 1  -10   38    2 o  247.383   31.061 32698.33  6101.55   0.0000   0.0000 32698.33  6101.55  ?   ?   247.383   31.061 0.000000 31.06086 
1 1 1  -10   38    3 o  233.822   31.236 29521.10  5782.14   0.0000   0.0000 29521.10  5782.14  ?   ?   233.822   31.236 0.000000 31.23639 
1 1 1  -10   38    4 o  136.444   34.828 11104.99  3871.60   0.0000   0.0000 11104.99  3871.60  ?   ?   136.444   34.828 0.000000 34.82798 
1 1 1  -10   38    5 o  234.516   31.760 30753.04  5892.12   0.0000   0.0000 30753.04  5892.12  ?   ?   234.516   31.760 0.000000 31.75998 
1 1 1  -10   38    6 o  276.465   34.238 45592.11  7521.34   0.0000   0.0000 45592.11  7521.34  ?   ?   276.465   34.238 0.000000 34.23782 
1 1 1  -10   38    7 o   39.182   19.105 -2596.5120  1974.68 -1023.6090  9076.27 -2674.6641  2023.14   75.127   37.418   39.526   19.288 35.60035 42.09674 
1 1 1  -10   38    8 o   84.811   31.740  4795.06  2947.03  8788.49 10237.17  4434.21  3077.30   83.804   41.386   81.566   31.948 2.238182 52.28259 
1 1 1  -10   38    9 o   86.959   31.742  5377.58  2915.33  1802.61 10805.78  5658.22  3027.60   72.649   36.782   88.274   32.328 -15.62574 48.96999 
1 1 1  -10   38   10 o   55.332   25.031  895.773  2408.95  8102.48 10612.33  504.260  2473.52   73.128   36.958   53.766   24.717 19.36267 44.46154 
1 1 1  -10   38   11 o   66.815   27.246  3120.24  2332.05  9770.19 12026.91  2860.44  2377.17   68.150   34.884   64.828   27.073 3.321930 44.15703 
1 1 1  -10   40    1 o  149.258   41.329 17164.71  5180.03   0.0000   0.0000 17164.71  5180.03  ?   ?   149.258   41.329 0.000000 41.32937 
1 1 1  -10   40    2 o  158.904   39.785 18507.68  5121.70   0.0000   0.0000 18507.68  5121.70  ?   ?   158.904   39.785 0.000000 39.78542 
1 1 1  -10   40    3 o   86.766   35.502  5917.42  3976.52   0.0000   0.0000  5917.42  3976.52  ?   ?    86.766   35.502 0.000000 35.50174 
1 1 1  -10   40    4 o   69.878   30.894  2723.45  3451.37   0.0000   0.0000  2723.45  3451.37  ?   ?    69.878   30.894 0.000000 30.89419 
1 1 1  -10   40    5 o   67.387   30.208  2448.53  3419.06   0.0000   0.0000  2448.53  3419.06  ?   ?    67.387   30.208 0.000000 30.20844 
1 1 1  -10   40    6 o   50.589   23.832 -425.1447  2531.71   0.0000   0.0000 -425.1447  2531.71  ?   ?    50.589   23.832 0.000000 23.83155 
1 1 1  -10   40    7 o   69.129   30.517  3573.37  3355.10   0.0000   0.0000  3573.37  3355.10  ?   ?    69.129   30.517 0.000000 30.51660 
1 1 1  -10   40    8 o   67.015   29.769  3595.74  3241.81  7841.94 14253.61  3364.11  3329.06   66.240   34.113   65.800   29.627 0.4396667 45.18249 
1 1 1  -10   42    1 o   83.813   37.314  9811.29  5121.61   0.0000   0.0000  9811.29  5121.61  ?   ?    83.813   37.314 0.000000 37.31428 
1 1 1  -10   42    2 f   62.963   29.425  2728.75  3729.60   0.0000   0.0000  2728.75  3729.60  ?   ?    62.963   29.425 0.000000 29.42533 
1 1 1   -9    1    4 o  440.611   15.184 79121.43  5432.26 81057.02  7679.87 77183.30  7684.88  445.147   21.248  433.742   21.891 11.40512 30.50733 
1 1 1   -9    1    5 o  561.259   19.144 128509.10  8724.45 131476.30 12337.17 125540.90 12339.29  566.388   26.826  553.330   27.464 13.05768 38.39198 
1 1 1   -9    1    6 o  384.936   13.379 60262.44  4181.81 60597.04  5911.48 59927.28  5916.47  385.669   18.877  383.523   18.999 2.145844 26.78290 
1 1 1   -9    1    7 o  185.149   7.2782 13922.96  1094.17 13780.95  1543.94 14066.25  1550.86  183.870   10.384  185.774   10.322 -1.903488 14.64135 
1 1 1   -9    1    8 o  380.647   15.265 58916.83  4718.07 62061.48  5778.19 52625.97  8172.60  390.542   18.222  357.957   28.350 32.58490 33.70118 
1 1 1   -9    1    9 o  973.248   32.764 387175.41 25891.83 389054.50 36612.37 385295.59 36620.79  972.307   46.375  967.531   46.615 4.776001 65.75414 
1 1 1   -9    1   10 o  901.807   30.249 332337.09 22149.72 330673.50 31320.68 334001.41 31328.18  896.559   43.024  901.116   42.817 -4.557068 60.69915 
1 1 1   -9    1   11 o  312.653   11.109 39736.59  2820.09 41062.87  3986.72 38408.32  3989.69  317.637   15.458  306.751   16.074 10.88641 22.30070 
1 1 1   -9    1   12 o  361.652   18.234 53524.60  5337.27 54925.84  7553.59 52127.48  7542.49  364.969   25.652  355.355   26.328 9.614075 36.75863 
1 1 1   -9    1   13 o  237.840   9.0717 23008.06  1751.92 21959.87  2473.00 24064.07  2482.21  231.750   13.197  242.701   12.640 -10.95131 18.27327 
1 1 1   -9    1   14 o  394.667   13.906 63556.29  4456.13 67663.41  6300.61 59445.76  6303.23  406.315   19.098  380.037   20.503 26.27835 28.01924 
1 1 1   -9    1   15 o  240.177   9.1791 23480.31  1790.07 25169.42  2536.30 21803.84  2526.80  248.059   12.634  230.698   13.549 17.36087 18.52540 
1 1 1   -9    1   16 o   65.262   20.369  1744.45  1196.97  1986.75  1452.65  1232.01  2112.56   70.089   22.510   68.093   26.526 1.996101 34.78968 
1 1 1   -9    1   17 f   34.869   10.918  491.005  343.620  391.604  465.564  609.948  509.277   34.596   12.676   39.849   13.358 -5.252888 18.41512 
1 1 1   -9    1   18 o  207.489   8.5055 17552.75  1432.96 16760.60  2015.72 18362.11  2037.49  201.911   12.355  211.460   11.915 -9.549683 17.16411 
1 1 1   -9    1   19 o  185.581   8.4014 14069.03  1265.97 11834.94  1807.24 16221.54  1773.94  168.933   13.283  198.528   11.048 -29.59543 17.27693 
1 1 1   -9    1   20 o  237.430   9.5689 23165.13  1844.74 24105.31  2635.64 22262.22  2582.88  240.395   13.558  230.863   13.843 9.531372 19.37632 
1 1 1   -9    1   21 o  104.708   8.1721  4530.68  689.287  3547.67  951.536  5616.06  999.856   91.204   13.236  115.957   10.741 -24.75345 17.04592 
1 1 1   -9    1   22 o   31.027   12.493  202.981  483.366   95.417  670.721  319.211  697.214   33.807   14.265   37.334   15.015 -3.526226 20.71041 
1 1 1   -9    1   23 o  185.948   9.2374 14399.84  1394.70 13596.21  1975.37 15198.67  1969.45  177.507   13.814  188.386   12.954 -10.87924 18.93785 
1 1 1   -9    1   24 o   90.826   10.148  3524.54  735.602  2594.33  1078.98  4332.36  1005.50   73.915   18.118   99.468   12.743 -25.55353 22.15064 
1 1 1   -9    1   25 f   32.975   13.287  291.595  547.172   86.449  744.441  532.653  806.974   34.042   14.711   40.449   16.194 -6.407303 21.87765 
1 1 1   -9    1   26 o   71.012   12.690  2352.79  704.832  2399.53  964.954  2299.34  1031.98   67.906   17.417   65.377   18.570 2.528473 25.45962 
1 1 1   -9    3    2 o  453.572   31.998 85568.13 11708.77 85568.13 11708.77   0.0000   0.0000  453.572   31.998  ?   ?  0.000000 31.99790 
1 1 1   -9    3    3 o  677.677   48.056 195081.30 26271.61 195081.30 26271.61   0.0000   0.0000  677.677   48.056  ?   ?  0.000000 48.05636 
1 1 1   -9    3    5 o  247.555   9.0040 24904.14  1809.86 25465.99  2551.24 24334.93  2567.90  249.899   12.614  244.238   12.995 5.661118 18.11066 
1 1 1   -9    3    6 o  284.387   10.225 32865.17  2361.12 33591.33  3330.69 32131.61  3347.62  287.383   14.274  280.667   14.741 6.715546 20.51918 
1 1 1   -9    3    7 o  530.565   18.147 114566.60  7817.66 116921.60 11048.64 112205.60 11063.04  535.356   25.417  524.391   25.983 10.96478 36.34729 
1 1 1   -9    3    8 o  301.380   15.059 36930.64  3685.05 31031.37  5197.13 42895.34  5225.88  274.973   23.503  324.014   19.961 -49.04074 30.83559 
1 1 1   -9    3    9 o  679.682   22.907 188178.00 12642.13 188823.50 17871.64 187531.59 17885.72  679.717   32.382  677.369   32.519 2.348450 45.89204 
1 1 1   -9    3   10 o  187.561   7.5417 14288.17  1148.55 15470.12  1616.38 13082.81  1632.31  194.860   10.252  179.074   11.284 15.78596 15.24574 
1 1 1   -9    3   11 o  419.689   14.520 71677.59  4948.12 73033.77  6990.83 70316.05  7004.58  423.163   20.346  414.649   20.872 8.513977 29.14768 
1 1 1   -9    3   12 o  524.452   25.679 112947.10 10935.23 117392.20 15459.78 108496.20 15469.73  530.604   36.098  509.415   37.667 21.18887 52.17170 
1 1 1   -9    3   13 o  559.040   19.092 127934.80  8666.36 130445.70 12248.95 125417.90 12263.23  562.245   26.831  551.110   27.405 11.13428 38.35263 
1 1 1   -9    3   14 o  435.696   15.102 77535.41  5342.49 77607.26  7548.42 77463.28  7562.45  434.583   21.392  434.165   21.452 0.4180298 30.29516 
1 1 1   -9    3   15 o  599.461   20.545 147836.80  9999.90 146820.70 14134.60 148855.00 14149.41  593.356   29.338  597.546   29.163 -4.190613 41.36646 
1 1 1   -9    3   16 o  206.838   8.3404 17414.74  1400.74 18035.62  1973.51 16784.41  1988.47  209.915   11.624  202.402   12.156 7.513290 16.81904 
1 1 1   -9    3   17 o  163.577   7.5770 10891.97  1006.38 10416.42  1417.30 11375.56  1429.23  159.357   11.021  166.624   10.619 -7.266556 15.30479 
1 1 1   -9    3   18 o  200.163   8.3687 16334.77  1360.13 15864.46  1921.15 16807.40  1925.89  196.446   12.103  202.286   11.776 -5.839828 16.88696 
1 1 1   -9    3   19 o   66.989   8.6805  1864.39  461.051  2585.50  618.042  959.557  692.310   78.854   9.8689   48.553   15.534 30.30197 18.40379 
1 1 1   -9    3   20 o   99.797   7.8171  4101.42  628.370  3209.03  864.282  5102.07  915.201   87.132   12.581  110.850   10.285 -23.71845 16.24997 
1 1 1   -9    3   21 o  144.427   8.0991  8595.82  945.954  8289.67  1328.10  8911.07  1347.68  140.684   11.733  145.995   11.461 -5.310013 16.40197 
1 1 1   -9    3   22 o  100.171   8.8152  4178.88  709.686  4583.04  956.317  3683.48  1058.78  104.052   11.512   91.969   14.671 12.08355 18.64877 
1 1 1   -9    3   23 o   73.865   10.165  2323.59  593.489  2565.35  803.991  2034.11  879.756   76.445   13.444   66.856   16.344 9.589310 21.16221 
1 1 1   -9    3   24 o   71.884   10.640  2234.75  602.270  2740.20  798.494  1567.73  917.284   78.681   12.949   57.867   17.793 20.81421 22.00643 
1 1 1   -9    3   25 o   50.364   13.995  1181.96  592.862  1159.31  762.195  1216.66  943.346   49.710   16.330   51.062   18.130 -1.351734 24.40009 
1 1 1   -9    3   26 f   46.612   14.859  1062.74  633.925  590.588  765.150  2096.22  1132.02   39.429   15.774   61.066   19.894 -21.63675 25.38878 
1 1 1   -9    5    1 o  702.468   50.195 210345.30 28441.49 210345.30 28441.49   0.0000   0.0000  702.468   50.195  ?   ?  0.000000 50.19463 
1 1 1   -9    5    2 f  167.959   9.7995 11510.67  1330.63 11623.51  1900.35 11402.13  1863.77  168.343   14.031  166.738   13.893 1.605103 19.74500 
1 1 1   -9    5    4 o  257.055   10.624 26865.02  2217.51 28628.62  3880.59 26009.90  2702.15  264.374   18.188  252.488   13.226 11.88606 22.48897 
1 1 1   -9    5    5 o   88.477   5.4731  3191.26  391.262  4085.75  699.176  2783.43  472.106   99.903   8.7063   82.474   7.1197 17.42871 11.24679 
1 1 1   -9    5    6 o  442.424   15.149 79615.37  5441.95 79710.38  7691.51 79520.14  7700.65  442.276   21.418  441.744   21.469 0.5320435 30.32597 
1 1 1   -9    5    7 o  661.990   22.213 178532.20 11939.67 169265.30 16875.82 187819.80 16894.68  642.518   32.453  677.924   30.692 -35.40582 44.66756 
1 1 1   -9    5    8 o  767.732   36.773 241346.41 22923.08 240998.30 32387.44 241695.80 32448.91  762.060   52.665  763.159   52.688 -1.098328 74.49606 
1 1 1   -9    5    9 o  379.871   13.036 58649.61  4020.76 59775.39  5677.20 57516.65  5695.26  383.295   18.242  375.965   18.656 7.330353 26.09245 
1 1 1   -9    5   10 o  513.938   17.493 107503.00  7299.76 109363.60 10314.99 105636.40 10331.87  517.737   24.537  508.790   25.009 8.947662 35.03611 
1 1 1   -9    5   11 o  186.787   7.4475 14174.52  1129.52 13845.97  1585.37 14513.21  1609.67  184.235   10.643  188.644   10.551 -4.409058 14.98682 
1 1 1   -9    5   12 o   86.824   8.9738  3097.80  623.505  3484.33  889.550  2724.51  874.189   91.704   12.253   80.646   13.849 11.05826 18.49137 
1 1 1   -9    5   13 o  633.722   21.575 164832.91 11101.80 163283.00 15688.11 166387.59 15712.56  627.212   30.805  633.257   30.558 -6.045105 43.39054 
1 1 1   -9    5   14 o  992.825   34.465 413256.81 27783.89 403676.91 39279.12 422849.81 39305.62  963.011   50.409  988.470   48.973 -25.45886 70.28041 
1 1 1   -9    5   15 o  183.934   7.6122 13761.21  1136.86 12617.82  1591.61 14952.24  1624.43  175.579   11.223  191.280   10.499 -15.70152 15.36836 
1 1 1   -9    5   16 o   71.231   7.0890  2084.34  404.563  2521.37  555.367  1590.22  590.527   78.183   8.9074   61.328   12.287 16.85543 15.17616 
1 1 1   -9    5   17 o  266.449   10.009 28961.56  2165.35 28639.21  3049.94 29289.18  3074.76  263.932   14.285  266.929   14.238 -2.996948 20.16880 
1 1 1   -9    5   18 o   80.864   7.4348  2686.45  482.693  3530.82  647.108  1627.37  724.731   92.629   8.7060   61.671   14.684 30.95766 17.07071 
1 1 1   -9    5   19 o  215.700   8.9490 19037.61  1567.34 18893.66  2209.30 19183.47  2223.89  213.651   12.794  215.294   12.779 -1.642670 18.08293 
1 1 1   -9    5   20 o  241.001   9.6434 23895.11  1887.06 23508.61  2670.07 24280.82  2667.33  236.974   13.938  240.975   13.689 -4.001038 19.53580 
1 1 1   -9    5   21 o  125.768   8.1878  6529.73  831.578  6926.06  1135.32  6070.99  1221.45  128.718   10.967  119.839   12.748 8.878525 16.81690 
1 1 1   -9    5   22 o   68.347   10.485  1988.52  563.271  1761.45  721.770  2342.24  900.836   63.124   14.401   72.539   15.746 -9.415073 21.33821 
1 1 1   -9    5   23 o   32.391   12.420  323.030  457.720  718.819  555.708 -511.9887  807.166   41.638   13.954   30.551   14.072 11.08676 19.81743 
1 1 1   -9    5   24 o   31.581   12.440  280.481  468.891  186.551  572.482  471.916  817.277   32.278   13.366   40.486   16.265 -8.207336 21.05254 
1 1 1   -9    5   25 o   55.446   12.767  1413.55  562.915  2170.87  677.268 -278.5743  1012.36   69.196   12.515   35.335   16.080 33.86065 20.37612 
1 1 1   -9    5   26 o   38.820   13.401  688.042  513.110  833.458  605.965  319.597  964.555   42.027   14.560   38.427   16.675 3.600845 22.13701 
1 1 1   -9    7    1 o  688.690   33.610 195611.00 18794.36 183974.41 26594.26 207221.41 26564.24  659.989   49.998  702.270   46.855 -42.28046 68.52113 
1 1 1   -9    7    2 o  562.407   27.466 129677.50 12542.42 126194.50 17760.51 133142.80 17714.91  550.444   40.011  565.891   38.788 -15.44629 55.72631 
1 1 1   -9    7    3 o  402.663   20.074 66127.61  6563.08 61046.58  9312.01 71142.80  9251.48  384.660   30.053  415.926   27.550 -31.26599 40.77014 
1 1 1   -9    7    4 o  152.910   9.2962  9535.38  1148.72  9387.54  1642.39  9676.97  1607.26  151.331   13.508  153.717   12.999 -2.386337 18.74700 
1 1 1   -9    7    5 o  304.806   11.976 37762.69  2963.90 44482.56  5191.03 34512.39  3610.23  329.931   19.463  290.882   15.340 39.04874 24.78174 
1 1 1   -9    7    6 o  434.294   17.714 76745.71  6246.54 62611.56 10870.86 83713.00  7632.39  389.522   34.736  453.391   20.732 -63.86960 40.45236 
1 1 1   -9    7    7 o  1288.90   61.677 691063.62 64548.07 764350.88 91311.70 617862.81 91257.84  1339.29   84.400  1196.29   94.724 142.9977 126.8703 
1 1 1   -9    7    8 o  813.326   27.063 269796.50 17872.22 283094.91 25271.46 256490.30 25278.81  831.388   37.436  790.994   39.359 40.39417 54.31931 
1 1 1   -9    7    9 o  440.269   14.896 78819.19  5325.14 83163.56  7524.80 74460.74  7536.97  451.919   20.507  426.984   21.812 24.93509 29.93819 
1 1 1   -9    7   10 o  539.070   17.408 118331.30  7619.45 111756.40 10767.17 124926.80 10783.92  523.002   25.355  553.143   24.010 -30.14032 34.91945 
1 1 1   -9    7   11 o  322.155   11.397 42218.48  2981.20 39723.05  4205.49 44739.15  4226.70  311.695   16.677  331.336   15.711 -19.64041 22.91195 
1 1 1   -9    7   12 o  364.574   12.609 54143.13  3732.41 53125.63  5267.67 55168.98  5289.26  360.504   17.996  367.408   17.730 -6.904388 25.26259 
1 1 1   -9    7   13 o  628.261   21.260 162040.80 10845.17 155907.20 15325.40 168193.50 15349.40  611.751   30.954  636.738   29.689 -24.98730 42.89012 
1 1 1   -9    7   14 o  150.298   6.7874  9183.27  828.323  9411.74  1151.02  8937.84  1192.96  151.776   9.3859  147.826   9.9976 3.950119 13.71306 
1 1 1   -9    7   15 o  577.666   20.103 137368.70  9429.05 139360.20 13320.44 135368.80 13349.00  577.894   28.388  568.547   29.013 9.346863 40.59085 
1 1 1   -9    7   16 o  427.099   15.305 74778.44  5307.68 77211.64  7491.12 72325.56  7521.36  432.022   21.355  417.231   22.282 14.79074 30.86313 
1 1 1   -9    7   17 o  132.807   6.9690  7198.10  748.878  6422.92  1005.46  8163.88  1122.29  125.068   9.9842  141.116   9.8566 -16.04730 14.02990 
1 1 1   -9    7   18 o  299.834   11.501 36839.81  2800.04 37810.87  3947.96 35856.96  3971.86  301.992   16.159  293.849   16.716 8.143433 23.24944 
1 1 1   -9    7   19 o  102.553   8.0140  4325.20  662.020  4346.89  883.969  4297.49  999.029  102.279   10.808  101.325   12.402 0.9544449 16.45040 
1 1 1   -9    7   20 o   55.424   9.0848  1294.61  394.664  1418.22  486.351  1056.25  675.355   57.702   10.777   49.935   15.253 7.767445 18.67616 
1 1 1   -9    7   21 o  115.053   7.9601  5467.31  739.056  5022.32  955.230  6130.94  1166.51  109.426   10.896  120.587   12.076 -11.16148 16.26509 
1 1 1   -9    7   22 o  129.719   8.5046  6987.01  890.804  7018.32  1160.42  6942.09  1390.02  128.974   11.192  127.102   13.684 1.871414 17.67830 
1 1 1   -9    7   23 o   87.457   9.3200  3228.48  651.638  3163.24  799.100  3357.98  1125.83   85.598   11.812   85.844   16.753 -0.2459946 20.49887 
1 1 1   -9    7   24 o   32.022   12.554  301.229  475.475  1208.28  556.583 -2148.5210  914.692   51.606   13.223   23.802   11.859 27.80425 17.76171 
1 1 1   -9    7   25 f   53.917   12.698  1343.85  546.729  1288.55  631.635  1509.10  1091.77   52.088   14.435   54.900   19.503 -2.811749 24.26375 
1 1 1   -9    7   26 o   71.383   11.378  2346.42  637.355  1966.00  749.395  3341.03  1211.73   62.566   14.955   77.337   19.345 -14.77121 24.45174 
1 1 1   -9    9    1 o  596.858   23.654 145398.00 11463.25 139942.09 19839.43 148132.30 14045.04  580.701   42.369  601.683   28.749 -20.98273 51.20153 
1 1 1   -9    9    2 o  378.774   19.077 58585.98  5848.49 61217.71  8293.64 55982.77  8248.58  386.173   26.612  369.032   27.731 17.14130 38.43464 
1 1 1   -9    9    3 o  249.295   13.365 25340.84  2695.48 26279.17  3842.92 24432.13  3781.78  253.355   18.815  244.190   19.229 9.164474 26.90286 
1 1 1   -9    9    4 o  103.030   8.0175  4337.76  665.433  4140.52  967.288  4514.97  916.865  100.202   12.136  104.841   10.931 -4.639038 16.33348 
1 1 1   -9    9    5 o  666.146   31.995 181434.30 17305.96 186904.91 24510.15 175995.59 24438.64  672.320   45.161  651.970   46.469 20.35022 64.79845 
1 1 1   -9    9    6 o  1106.80   53.358 506418.91 47952.34 503988.41 67850.22 508844.31 67779.54  1091.17   77.077  1096.71   76.595 -5.543335 108.6631 
1 1 1   -9    9    7 o  807.545   38.927 267251.69 25524.40   0.0000   0.0000 267251.69 25524.40  ?   ?   807.545   38.927 0.000000 38.92699 
1 1 1   -9    9    8 o  489.170   19.941 97409.38  7920.28 92218.06 13794.98 99962.12  9673.57  473.152   36.182  495.234   24.057 -22.08279 43.44918 
1 1 1   -9    9    9 f  1157.92   45.027 553925.31 42334.07 618915.81 73394.28 521522.19 51823.91  1203.23   75.506  1116.19   57.375 87.03455 94.83195 
1 1 1   -9    9   10 o   83.984   5.1614  2875.32  350.263  2238.12  486.576  3560.63  504.608   73.755   8.2672   93.383   6.6995 -19.62803 10.64101 
1 1 1   -9    9   11 o  228.764   12.096 21363.84  2238.86 28157.33  3214.55 14964.09  3120.01  262.357   15.155  190.154   20.533 72.20248 25.52016 
1 1 1   -9    9   12 o   74.319   6.0251  2259.00  360.454  2245.79  485.776  2275.17  537.685   73.861   8.2404   74.236   9.1115 -0.3742981 12.28511 
1 1 1   -9    9   13 o  177.100   7.1684 12750.72  1030.81 12123.49  1436.41 13416.71  1480.13  172.257   10.317  181.265   10.097 -9.008224 14.43570 
1 1 1   -9    9   14 o  123.529   6.3652  6219.31  636.270  4932.32  877.013  7649.47  924.508  109.606   9.9633  136.863   8.3594 -27.25690 13.00567 
1 1 1   -9    9   15 o   51.524   8.2976  1107.70  335.347  1938.72  448.524   54.283  504.987   68.530   8.2249   29.702   12.447 38.82813 14.91868 
1 1 1   -9    9   16 o  362.282   13.005 53686.72  3825.44 52847.69  5400.44 54531.73  5419.61  357.559   18.666  363.307   18.432 -5.747223 26.23303 
1 1 1   -9    9   17 o   32.137   10.800  394.701  332.914  666.029  419.912 -64.4483  546.245   40.118   11.977   29.165   12.602 10.95225 17.38582 
1 1 1   -9    9   18 o  272.477   10.136 30395.23  2242.56 31830.00  3160.21 28939.85  3182.83  277.424   14.075  264.203   14.897 13.22079 20.49514 
1 1 1   -9    9   19 o   50.605   9.2351  1082.52  365.485  1196.88  437.260  817.386  665.782   53.035   10.525   45.487   15.273 7.547806 18.54857 
1 1 1   -9    9   20 o   55.842   10.476  1329.08  457.552  1148.16  546.647  1752.42  836.202   51.476   13.058   63.149   16.222 -11.67373 20.82500 
1 1 1   -9    9   21 o   18.450   8.8743 -572.4238  390.320 -711.3284  457.599 -201.4636  747.808   19.639   9.4866   32.302   14.326 -12.66340 17.18215 
1 1 1   -9    9   22 o  117.241   8.4889  5719.47  802.643  5396.56  1016.07  6255.39  1308.99  112.840   11.239  120.428   13.626 -7.588516 17.66357 
1 1 1   -9    9   23 o   61.892   9.7902  1643.79  475.636  2205.94  545.044 -151.3635  973.996   71.968   9.5641   36.837   16.343 35.13142 18.93556 
1 1 1   -9    9   24 o  114.414   9.2722  5568.15  853.978  5166.62  1084.62  6223.06  1385.19  108.162   12.585  117.000   14.921 -8.838562 19.51958 
1 1 1   -9    9   25 o   37.670   12.533  627.897  448.399  679.969  484.334  315.535  1186.24   39.027   13.027   41.978   18.350 -2.951599 22.50357 
1 1 1   -9    9   26 o   57.782   14.531  1689.53  681.058  1689.53  681.058   0.0000   0.0000   57.782   14.531  ?   ?  0.000000 14.53074 
1 1 1   -9   11    1 o  369.444   15.234 55504.68  4569.82 55280.94  7915.11 55616.57  5596.88  367.104   26.738  369.187   18.732 -2.083069 32.64661 
1 1 1   -9   11    2 o  199.818   11.676 16280.79  1886.14 17263.62  2689.52 15329.64  2645.82  205.379   16.261  193.375   17.024 12.00430 23.54248 
1 1 1   -9   11    3 o  463.676   22.982 87598.24  8652.42 82132.47 12265.49 93012.43 12207.46  446.752   34.070  475.976   31.769 -29.22409 46.58331 
1 1 1   -9   11    4 o  689.581   33.409 194450.20 18706.19 189452.20 26498.76 199415.00 26410.57  676.303   48.579  694.340   47.124 -18.03760 67.68040 
1 1 1   -9   11    5 o  1305.94   92.980 732367.12 97949.97 732367.12 97949.97   0.0000   0.0000  1305.94   92.980  ?   ?  0.000000 92.97978 
1 1 1   -9   11    6 o  901.743   62.677 339675.59 45605.68   0.0000   0.0000 339675.59 45605.68  ?   ?   901.743   62.677 0.000000 62.67651 
1 1 1   -9   11    7 o  1014.17   38.730 421846.00 31892.99 478369.81 55356.47 393761.59 39019.89  1068.87   64.079  975.546   49.422 93.32080 80.92361 
1 1 1   -9   11    8 o  672.349   26.547 184625.50 14492.65 194933.80 25219.11 179542.59 17708.82  685.473   45.570  661.965   32.947 23.50812 56.23316 
1 1 1   -9   11    9 o  224.680   9.4939 20517.13  1732.00 28303.37  3134.46 17094.80  2078.07  263.280   14.721  204.619   12.568 58.66130 19.35681 
1 1 1   -9   11   10 o  585.271   23.222 140370.09 11035.40 138037.50 19223.76 141516.59 13477.20  573.176   41.589  586.334   28.308 -13.15845 50.30920 
1 1 1   -9   11   11 o   51.722   8.9170  1118.93  360.960  1744.92  802.074  959.949  404.205   64.118   15.563   47.628   10.712 16.48986 18.89331 
1 1 1   -9   11   12 o  238.476   10.796 23155.90  2090.44 19939.33  3747.89 24608.47  2518.60  219.376   21.310  245.383   12.684 -26.00661 24.79893 
1 1 1   -9   11   13 o  737.944   25.611 225281.80 15345.72 222133.20 21703.86 228429.41 21700.39  724.628   37.011  736.190   36.303 -11.56128 51.84328 
1 1 1   -9   11   14 o  257.934   9.5786 27094.47  2006.08 25611.00  2833.03 28586.33  2841.03  249.943   14.016  264.566   13.225 -14.62219 19.27066 
1 1 1   -9   11   15 o  367.482   12.878 55194.00  3842.61 53578.81  5431.57 56812.40  5436.96  360.291   18.630  371.643   18.017 -11.35236 25.91751 
1 1 1   -9   11   16 o  168.118   7.7424 11508.34  1056.88 12267.09  1485.41 10730.41  1504.07  173.027   10.624  161.645   11.535 11.38213 15.68245 
1 1 1   -9   11   17 o  165.280   7.5345 11131.67  1011.14  9573.04  1405.45 12804.03  1455.83  152.488   11.434  176.702   10.190 -24.21407 15.31614 
1 1 1   -9   11   18 o  167.594   8.0183 11475.17  1091.14 11674.63  1509.60 11256.96  1578.94  168.205   11.116  164.970   11.867 3.235123 16.25988 
1 1 1   -9   11   19 o  135.051   7.8354  7493.08  855.516  8147.73  1156.40  6701.56  1271.55  140.281   10.223  126.507   12.544 13.77414 16.18215 
1 1 1   -9   11   20 o   92.804   7.7630  3559.14  579.601  4563.38  708.257  1523.06  1008.49  105.024   8.3751   59.368   18.723 45.65631 20.51041 
1 1 1   -9   11   21 o   87.442   8.3712  3182.68  587.094  2971.59  718.738  3605.93  1017.73   83.773   10.819   91.177   14.210 -7.404213 17.86012 
1 1 1   -9   11   22 o   95.752   8.3664  3827.80  643.935  3041.54  790.538  5378.08  1110.06   84.050   11.917  111.929   12.424 -27.87904 17.21565 
1 1 1   -9   11   23 o  131.725   8.7673  7287.52  932.360  7399.51  1192.67  7111.51  1495.11  131.319   11.295  126.310   14.862 5.008942 18.66754 
1 1 1   -9   11   24 o   18.642   8.7607 -328.8790  338.500 -382.9025  354.826  218.004  1128.94   18.670   8.8336   41.475   18.019 -22.80545 20.06772 
1 1 1   -9   11   25 o   40.097   13.283  737.163  503.911  798.694  532.733  214.233  1553.05   41.482   13.654   44.251   20.051 -2.768421 24.25811 
1 1 1   -9   13    1 o  1123.22   44.139 518276.31 40255.18 486692.31 69736.45 534060.00 49297.94  1071.14   80.776  1137.11   53.394 -65.97412 96.82819 
1 1 1   -9   13    2 o  722.333   35.066 213401.70 20566.70 203486.20 29115.75 223276.41 29055.75  700.562   51.547  734.727   48.985 -34.16486 71.11011 
1 1 1   -9   13    3 o  356.534   18.530 51853.10  5345.74 45946.98  7602.19 57629.98  7518.55  334.433   28.260  375.256   24.816 -40.82263 37.60936 
1 1 1   -9   13    4 o  300.450   15.659 36802.64  3806.81 41526.11  5432.54 32245.47  5336.05  318.692   21.113  280.358   23.662 38.33481 31.71209 
1 1 1   -9   13    5 o  780.942   54.271 253457.59 34199.70   0.0000   0.0000 253457.59 34199.70  ?   ?   780.942   54.271 0.000000 54.27137 
1 1 1   -9   13    6 o  175.024   10.567 12492.23  1494.67 16407.32  2194.01  9101.65  2041.76  200.439   13.561  148.575   17.245 51.86470 21.93846 
1 1 1   -9   13    7 o  928.349   44.328 356245.81 33414.30 381198.31 47329.75 331450.50 47180.53  950.650   61.649  883.630   66.241 67.01971 90.48985 
1 1 1   -9   13    8 o  380.065   14.321 58798.18  4419.62 77147.12  7825.24 50203.49  5355.59  433.980   22.282  350.348   18.896 83.63220 29.21586 
1 1 1   -9   13    9 o  235.626   10.431 22582.69  1995.58 23984.88  3628.83 21974.80  2389.31  241.627   18.640  231.980   12.734 9.647003 22.57440 
1 1 1   -9   13   10 o  409.629   19.317 68668.85  6424.96 78343.30  9243.85 59627.11  8936.48  435.308   26.276  378.691   29.291 56.61768 39.34955 
1 1 1   -9   13   11 o  507.278   19.657 105450.90  8096.40 120168.30 14192.06 98349.95  9857.95  536.199   32.754  487.906   24.967 48.29303 41.18504 
1 1 1   -9   13   12 o  534.957   21.631 117691.80  9395.74 116869.60 16441.56 118090.50 11449.44  524.385   38.892  534.191   26.397 -9.806335 47.00397 
1 1 1   -9   13   13 f   94.576   7.9375  3664.27  603.904  3864.42  1301.30  3609.33  681.766   95.653   17.396   93.729   9.0717 1.923256 19.61905 
1 1 1   -9   13   14 o  218.085   10.228 19385.62  1811.19 19238.10  3336.85 19447.22  2156.50  215.344   19.288  217.907   12.238 -2.563766 22.84291 
1 1 1   -9   13   15 o  208.621   10.245 17753.04  1735.43 16050.22  3264.83 18423.64  2048.84  195.883   20.847  212.014   11.950 -16.13170 24.02970 
1 1 1   -9   13   16 o  319.012   12.033 41656.57  3116.93 40657.51  4415.85 42648.56  4400.19  313.303   17.427  321.079   16.938 -7.776367 24.30239 
1 1 1   -9   13   17 o  256.555   10.446 26957.95  2176.15 28189.45  3099.62 25760.92  3055.92  260.844   14.695  249.152   15.178 11.69240 21.12599 
1 1 1   -9   13   18 o   40.263   9.1679  690.884  293.003  792.121  322.359  209.757  702.748   43.117   9.4670   36.417   14.915 6.700119 17.66609 
1 1 1   -9   13   19 o   86.023   7.6151  3055.25  526.401  3044.39  638.355  3078.32  930.555   85.512   9.3460   84.737   14.015 0.7751160 16.84518 
1 1 1   -9   13   20 o  117.843   8.0813  5739.15  768.587  5824.02  966.809  5593.39  1266.95  118.113   10.180  114.382   13.929 3.731323 17.25296 
1 1 1   -9   13   21 o   21.602   9.5210 -83.5819  325.327 -359.8960  351.044  1597.66  865.916   18.994   8.9246   59.635   17.035 -40.64146 19.23143 
1 1 1   -9   13   22 o  115.510   8.6294  5580.65  803.509  5640.45  972.454  5451.97  1426.50  115.332   10.499  110.109   16.461 5.222733 19.52407 
1 1 1   -9   13   23 o  102.146   8.6646  4405.00  711.858  4690.27  864.259  3803.18  1255.31  104.612   10.309   89.556   17.889 15.05586 20.64668 
1 1 1   -9   13   24 o   60.073   10.446  1598.71  491.045  1775.41  528.319  477.383  1330.90   63.271   10.663   45.451   19.655 17.81929 22.36118 
1 1 1   -9   13   25 o   53.819   11.286  1342.23  477.425  1358.43  500.077  1175.46  1604.47   53.879   11.761   50.131   21.630 3.748558 24.62048 
1 1 1   -9   15    1 o  544.697   22.049 120823.60  9751.86 116302.00 16917.26 123073.70 11934.19  531.190   39.506  549.349   26.755 -18.15814 47.71304 
1 1 1   -9   15    2 o  1267.47   50.053 662821.50 51511.39 681276.38 89222.48 653594.62 63087.55  1261.71   87.635  1253.26   61.996 8.450073 107.3471 
1 1 1   -9   15    3 o  958.533   67.221 386270.81 51987.04   0.0000   0.0000 386270.81 51987.04  ?   ?   958.533   67.221 0.000000 67.22115 
1 1 1   -9   15    4 o  732.390   51.210 223112.70 30261.53   0.0000   0.0000 223112.70 30261.53  ?   ?   732.390   51.210 0.000000 51.20967 
1 1 1   -9   15    5 o  844.981   40.445 294104.81 27748.91 316200.19 39315.67 272172.19 39170.52  868.771   56.033  803.710   60.467 65.06067 82.43732 
1 1 1   -9   15    6 o  475.133   22.899 92195.60  8834.12 107816.50 12577.23 76984.58 12411.11  511.787   30.403  430.924   35.795 80.86261 46.96374 
1 1 1   -9   15    7 o  659.464   31.821 179183.09 17038.90 190610.50 24192.40 167934.91 24002.01  674.162   44.445  631.346   47.162 42.81616 64.80394 
1 1 1   -9   15    8 o  155.792   9.1162  9902.57  1148.15  7290.17  2224.52 10851.20  1340.50  131.770   21.535  163.015   10.178 -31.24425 23.81952 
1 1 1   -9   15    9 o  304.869   16.978 38086.17  4186.10 32399.15  6136.58 43035.80  5724.93  278.943   27.450  323.172   21.947 -44.22968 35.14481 
1 1 1   -9   15   10 o  268.166   11.032 29281.53  2402.15 35036.64  4398.09 26834.81  2867.67  291.965   18.650  256.134   13.840 35.83047 23.22402 
1 1 1   -9   15   11 o  319.302   13.594 41600.92  3524.48 40173.89  6331.64 42241.62  4242.53  310.883   25.303  320.988   16.332 -10.10443 30.11559 
1 1 1   -9   15   12 o  211.102   9.7327 18146.24  1668.27 19341.30  3143.67 17677.75  1968.29  216.432   18.053  207.896   11.708 8.536026 21.51739 
1 1 1   -9   15   13 o  605.052   25.049 152036.59 12305.90 135360.91 21548.63 160107.00 14990.78  552.538   48.522  617.981   29.875 -65.44299 56.98180 
1 1 1   -9   15   14 o  146.911   8.1404  8813.97  967.251 14430.89  1964.19  7015.82  1111.34  187.418   12.987  130.725   10.560 56.69389 16.73889 
1 1 1   -9   15   15 o  130.120   8.8669  6933.71  931.228  4848.10  2018.48  7497.66  1049.60  105.685   24.061  135.232   9.6216 -29.54784 25.91391 
1 1 1   -9   15   16 o  119.540   8.9155  5865.85  859.135  4600.20  1799.60  6239.47  977.752  102.825   22.204  123.162   9.8599 -20.33691 24.29501 
1 1 1   -9   15   17 o   96.263   10.642  3850.94  817.906  5431.04  1932.91  3506.31  902.706  111.117   22.200   91.391   12.492 19.72575 25.47343 
1 1 1   -9   15   18 o   62.984   13.995  1717.31  697.122  3140.64  1813.07  1470.38  755.174   83.374   24.887   58.167   15.647 25.20648 29.39702 
1 1 1   -9   15   19 o   84.930   11.791  3055.50  791.154  3593.23  2436.78  2992.14  836.468   87.531   29.220   83.760   12.697 3.771370 31.85947 
1 1 1   -9   15   20 o   72.225   14.762  2295.71  836.494   81.358  2183.28  2676.69  905.598   56.416   24.771   78.107   14.822 -21.69109 28.86666 
1 1 1   -9   15   21 o   38.259   15.760  279.974  790.172 -349.2874  2175.87  375.567  848.070   52.819   23.851   40.442   16.454 12.37640 28.97581 
1 1 1   -9   15   22 o  124.328   12.508  6703.00  1245.51  5875.05  3151.01  6856.31  1355.93   97.572   33.224  125.064   13.570 -27.49195 35.88869 
1 1 1   -9   15   23 o   46.117   18.155  791.512  998.234   0.0000   0.0000  791.512  998.234  ?   ?    46.117   18.155 0.000000 18.15509 
1 1 1   -9   15   24 o  106.803   23.139  6477.71  1948.59   0.0000   0.0000  6477.71  1948.59  ?   ?   106.803   23.139 0.000000 23.13866 
1 1 1   -9   17    1 o  609.806   30.162 152265.20 14934.43   0.0000   0.0000 152265.20 14934.43  ?   ?   609.806   30.162 0.000000 30.16188 
1 1 1   -9   17    2 o  230.060   11.256 21514.94  2102.60 18689.80  3677.22 22887.29  2562.90  212.990   21.560  236.846   13.382 -23.85576 25.37510 
1 1 1   -9   17    3 o  812.984   39.618 272993.09 26152.78 277200.41 37053.28 268816.41 36918.31  810.261   56.677  797.470   57.399 12.79138 80.66550 
1 1 1   -9   17    4 o  674.075   33.020 187043.00 18072.59 189921.00 25638.24 184200.50 25479.50  672.918   47.222  662.449   47.689 10.46906 67.11301 
1 1 1   -9   17    5 o  980.919   47.621 403983.09 37929.08 434791.81 53738.93 373400.59 53541.27  1000.27   66.545  921.428   72.139 78.84247 98.14446 
1 1 1   -9   17    6 o  215.754   12.769 19019.34  2226.95 21164.24  3259.18 17140.94  3049.98  226.990   17.827  204.014   18.617 22.97581 25.77564 
1 1 1   -9   17    7 o  184.271   11.613 13878.16  1728.65 16096.59  2572.37 12051.39  2334.28  197.941   16.146  170.948   17.044 26.99281 23.47753 
1 1 1   -9   17    8 o  362.329   27.594 54508.84  8057.10 54508.84  8057.10   0.0000   0.0000  362.329   27.594  ?   ?  0.000000 27.59397 
1 1 1   -9   17    9 o  123.917   7.4462  6265.08  745.731  7407.33  1601.96  5949.07  842.594  133.880   14.994  120.630   8.6601 13.25011 17.31529 
1 1 1   -9   17   10 o  277.638   10.955 31398.91  2469.57 38641.33  4577.91 28426.21  2932.93  306.518   18.480  263.564   13.753 42.95465 23.03597 
1 1 1   -9   17   11 o  252.526   10.544 25980.32  2162.00 30904.76  4063.05 24035.27  2553.52  273.850   18.379  242.322   13.026 31.52736 22.52705 
1 1 1   -9   17   12 o   88.067   8.3299  3184.65  588.574 -59.1582  1403.42  3876.95  648.347   47.476   20.353   97.250   8.2899 -49.77326 21.97665 
1 1 1   -9   17   13 o  370.177   14.678 56137.10  4411.91 65883.10  7989.83 51861.81  5291.85  396.964   24.915  354.420   18.452 42.54446 31.00382 
1 1 1   -9   17   14 o  385.395   16.416 61119.38  5136.88 57923.68  9236.87 62550.28  6180.85  367.662   31.237  388.282   19.669 -20.61990 36.91371 
1 1 1   -9   17   15 o  411.495   17.608 70149.64  5883.23 64096.46 10553.71 72878.83  7086.47  381.512   34.440  417.192   20.987 -35.68039 40.33083 
1 1 1   -9   17   16 o   85.673   10.475  3054.21  713.512  8228.08  2006.79  2305.51  763.394  139.130   18.200   73.677   13.248 65.45316 22.51138 
1 1 1   -9   17   17 f  109.507   9.9099  4970.02  871.608  6826.50  2130.90  4597.01  955.166  124.291   21.916  104.933   11.394 19.35863 24.70034 
1 1 1   -9   17   18 o   78.949   11.620  2639.28  722.629 -488.4464  2114.00  3053.11  768.949   53.295   23.832   85.080   11.419 -31.78504 26.42649 
1 1 1   -9   17   19 o   37.397   15.677  158.799  801.635  2049.42  2020.19 -194.5332  873.336   70.562   26.305   35.166   15.544 35.39532 30.55420 
1 1 1   -9   17   20 o   94.998   13.636  3910.16  1021.70 -1506.7531  3066.64  4586.51  1083.60   57.126   26.692  103.188   13.238 -46.06240 29.79481 
1 1 1   -9   17   21 o  122.271   12.693  6457.24  1241.82 10346.04  3168.05  5751.26  1349.84  139.976   28.834  114.042   14.936 25.93404 32.47281 
1 1 1   -9   17   22 o   65.892   18.796  2108.38  1054.90   60.219  3663.32  2293.58  1101.56   62.552   29.210   68.544   19.087 -5.992195 34.89294 
1 1 1   -9   17   23 o   47.154   20.699  450.048  1523.67   0.0000   0.0000  450.048  1523.67  ?   ?    47.154   20.699 0.000000 20.69917 
1 1 1   -9   17   24 o   36.131   16.918 -472.6456  1243.11   0.0000   0.0000 -472.6456  1243.11  ?   ?    36.131   16.918 0.000000 16.91833 
1 1 1   -9   19    1 o  681.779   27.593 191066.20 15275.23 169487.59 26554.83 201737.41 18674.12  630.230   52.367  698.740   32.914 -68.51025 61.85191 
1 1 1   -9   19    2 o  760.894   30.240 238710.50 18682.92 235132.91 32420.24 240489.30 22860.52  740.981   54.263  760.825   37.005 -19.84399 65.67976 
1 1 1   -9   19    3 o  450.963   18.322 83068.40  6708.82 76930.21 11629.83 86129.74  8213.13  429.682   33.602  458.573   22.058 -28.89023 40.19465 
1 1 1   -9   19    4 o  294.230   16.087 35428.52  3828.60 41027.07  5523.18 30250.08  5311.91  315.719   21.677  270.318   24.466 45.40021 32.68750 
1 1 1   -9   19    5 o  173.601   12.077 12331.50  1691.70 12071.14  2524.94 12543.57  2278.80  170.843   18.497  174.547   16.266 -3.703735 24.63200 
1 1 1   -9   19    6 f  568.752   28.610 134041.30 13170.23 134280.70 18769.80 133809.09 18484.52  563.139   41.338  562.470   40.750 0.6693726 58.04637 
1 1 1   -9   19    7 o  530.618   39.202 119099.20 16770.36 119099.20 16770.36   0.0000   0.0000  530.618   39.202  ?   ?  0.000000 39.20201 
1 1 1   -9   19    8 o  158.599   11.431 10299.66  1462.24 10679.24  2208.28 10003.29  1951.31  160.669   17.194  155.702   15.646 4.967392 23.24740 
1 1 1   -9   19    9 o  290.787   13.706 34516.68  3236.05 29949.02  5961.17 36425.14  3853.23  267.247   27.882  298.009   15.982 -30.76178 32.13784 
1 1 1   -9   19   10 o  204.764   10.181 17079.82  1692.72 15531.14  3334.03 17617.66  1964.79  192.964   21.653  207.524   11.708 -14.55989 24.61552 
1 1 1   -9   19   11 o  307.114   12.935 38529.65  3225.61 40913.78  5988.33 37555.16  3828.48  313.363   23.711  302.381   15.647 10.98267 28.40812 
1 1 1   -9   19   12 o  131.091   8.6962  7029.68  920.386  6524.18  2095.12  7150.56  1024.54  123.845   21.622  132.108   9.6173 -8.262665 23.66402 
1 1 1   -9   19   13 o  267.461   12.131 29258.11  2634.40 27988.03  5007.76 29744.09  3097.67  257.739   24.213  268.935   14.236 -11.19571 28.08797 
1 1 1   -9   19   14 o   35.841   11.715  505.934  392.425 -3061.4089  1303.65  861.393  411.512   29.244   14.501   45.004   11.283 -15.76071 18.37287 
1 1 1   -9   19   15 o  190.916   10.248 14981.30  1582.81 16592.83  3505.86 14568.73  1773.89  196.641   22.355  187.917   11.684 8.724121 25.22394 
1 1 1   -9   19   16 o   35.642   13.829  343.183  572.401 -149.9966  2009.20  386.746  597.146   54.703   23.897   36.853   14.173 17.84944 27.78403 
1 1 1   -9   19   17 o   76.965   12.508  2523.36  754.817  2901.67  2028.00  2462.52  813.246   80.540   26.646   75.669   13.742 4.870461 29.98107 
1 1 1   -9   19   18 o  197.241   11.508 16262.79  1835.06 15598.59  4155.46 16423.70  2045.29  179.824   29.482  197.538   12.821 -17.71382 32.14896 
1 1 1   -9   19   19 o  122.213   12.532  6357.07  1226.03  4030.48  3153.32  6771.42  1330.74   89.267   32.946  125.849   13.220 -36.58252 35.49908 
1 1 1   -9   19   20 o   49.535   17.392  1016.10  866.004  2984.32  2850.05  815.898  908.983   78.360   30.731   46.986   17.619 31.37482 35.42385 
1 1 1   -9   19   21 o   46.083   18.151  720.698  998.277 -1486.3370  2629.96  1092.22  1079.03   50.671   23.996   51.515   19.220 -0.8443184 30.74498 
1 1 1   -9   19   22 o   66.517   19.711  2246.26  1140.41   0.0000   0.0000  2246.26  1140.41  ?   ?    66.517   19.711 0.000000 19.71067 
1 1 1   -9   19   23 o   53.348   21.417  1428.31  1415.84   0.0000   0.0000  1428.31  1415.84  ?   ?    53.348   21.417 0.000000 21.41689 
1 1 1   -9   21    1 o  450.035   23.366 83403.27  8508.89   0.0000   0.0000 83403.27  8508.89  ?   ?   450.035   23.366 0.000000 23.36602 
1 1 1   -9   21    2 o  264.995   12.783 28611.03  2750.45 26944.73  4850.81 29400.59  3339.10  255.003   23.699  267.974   15.411 -12.97133 28.26898 
1 1 1   -9   21    3 o  303.419   14.001 37541.18  3449.49 34684.39  6019.04 38938.35  4209.32  289.000   25.926  308.254   16.882 -19.25314 30.93778 
1 1 1   -9   21    4 o  399.213   21.279 65569.95  6872.60 63803.80  9864.40 67235.88  9580.46  390.773   31.353  401.825   29.572 -11.05179 43.09859 
1 1 1   -9   21    5 o  225.945   21.306 21138.22  3862.72 21138.22  3862.72   0.0000   0.0000  225.945   21.306  ?   ?  0.000000 21.30647 
1 1 1   -9   21    6 o  237.146   14.701 23049.06  2816.76 22312.23  4166.78 23669.15  3822.45  231.858   22.413  239.414   19.842 -7.556091 29.93373 
1 1 1   -9   21    7 o  443.207   23.095 81177.12  8282.56 81444.27 11916.63 80927.46 11520.07  439.656   33.636  438.749   32.569 0.9076538 46.82067 
1 1 1   -9   21    8 o  438.011   22.851 79371.77  8098.79 79782.80 11661.07 78988.77 11256.47  434.652   33.295  432.989   32.249 1.663177 46.35194 
1 1 1   -9   21    9 o  218.911   13.999 19666.66  2475.29 19656.68  3728.10 19674.53  3310.22  217.311   21.406  218.001   18.887 -0.6902466 28.54766 
1 1 1   -9   21   10 o  119.028   8.2770  5794.89  794.967  5037.98  1946.30  5946.45  870.929  108.344   22.844  120.506   8.9651 -12.16154 24.53980 
1 1 1   -9   21   11 o  153.479   9.3654  9635.75  1161.52  8919.73  2586.19  9816.68  1300.01  144.957   22.719  154.784   10.404 -9.826706 24.98828 
1 1 1   -9   21   12 o  209.744   11.052 18024.55  1875.55 15901.95  3844.39 18687.58  2148.60  193.274   25.089  213.318   12.459 -20.04396 28.01220 
1 1 1   -9   21   13 o  170.818   9.8769 11963.52  1364.07  8823.03  3021.29 12767.56  1528.75  141.816   27.228  176.332   10.728 -34.51538 29.26521 
1 1 1   -9   21   14 o  226.663   11.113 21098.27  2045.21 20273.88  4197.97 21354.84  2341.95  216.451   24.306  227.291   12.741 -10.83937 27.44305 
1 1 1   -9   21   15 o   40.978   14.172  637.045  573.994  1258.56  2364.62  598.131  591.691   68.624   27.633   40.486   14.360 28.13836 31.14114 
1 1 1   -9   21   16 o  164.020   10.675 11161.86  1413.98  9601.47  3675.87 11432.84  1531.85  140.118   32.876  165.741   11.453 -25.62241 34.81344 
1 1 1   -9   21   17 o   70.455   13.820  2155.03  762.365  584.834  2869.71  2274.26  790.780   66.824   28.880   72.383   13.961 -5.559082 32.07705 
1 1 1   -9   21   18 o  218.969   12.216 20211.91  2163.33 21684.48  4806.65 19837.86  2422.56  210.347   28.907  215.762   13.902 -5.414871 32.07612 
1 1 1   -9   21   19 o  146.336   11.628  9089.99  1370.22  5560.88  4086.43  9537.04  1454.42   96.843   37.116  149.661   12.071 -52.81815 39.02979 
1 1 1   -9   21   20 o   55.612   18.132  1409.13  940.338  1170.65  3548.08  1427.15  975.210   68.498   30.735   55.982   18.476 12.51608 35.86071 
1 1 1   -9   21   21 o   36.044   15.612   81.001  842.359  1353.89  3087.84 -21.3421  875.568   63.847   28.659   35.619   15.662 28.22754 32.65918 
1 1 1   -9   21   22 o   66.662   25.281  2705.28  1883.44   0.0000   0.0000  2705.28  1883.44  ?   ?    66.662   25.281 0.000000 25.28119 
1 1 1   -9   21   23 o   27.805   14.042 -3799.3081  1515.57   0.0000   0.0000 -3799.3081  1515.57  ?   ?    27.805   14.042 0.000000 14.04231 
1 1 1   -9   23    1 o  833.758   63.889 313312.69 42922.81   0.0000   0.0000 313312.69 42922.81  ?   ?   833.758   63.889 0.000000 63.88912 
1 1 1   -9   23    2 o  407.170   22.846 68441.40  7522.44 50958.75 10666.52 85740.44 10610.37  345.626   38.671  453.691   28.954 -108.0649 48.30906 
1 1 1   -9   23    3 o  188.823   11.649 14583.29  1777.33 17157.61  3140.22 13369.92  2155.88  203.675   19.215  180.328   14.856 23.34668 24.28845 
1 1 1   -9   23    4 o  364.586   16.526 54385.33  4892.35 49412.57  8524.25 56827.95  5974.28  342.936   30.946  371.532   19.876 -28.59570 36.77948 
1 1 1   -9   23    5 o  230.666   14.917 21834.89  2778.83 23053.16  4133.52 20830.27  3753.61  235.635   21.853  224.114   20.867 11.52109 30.21569 
1 1 1   -9   23    6 o  532.417   27.729 118233.50 11945.79 116462.90 17136.06 119907.40 16661.71  520.393   40.884  529.364   39.039 -8.970459 56.52925 
1 1 1   -9   23    7 o   52.657   16.157  1136.41  756.777  1948.93  1320.35  738.884  923.529   68.868   21.376   48.097   17.814 20.77073 27.82568 
1 1 1   -9   23    8 f   36.421   14.738  228.104  676.311  643.860  1256.92   58.682  802.363   51.802   20.379   37.053   15.616 14.74848 25.67415 
1 1 1   -9   23    9 o  243.135   15.330 24331.22  3010.91 25518.47  4579.05 23426.91  3996.32  246.931   23.107  237.146   20.970 9.784988 31.20391 
1 1 1   -9   23   10 o  161.695   8.9585 10688.17  1171.58 12324.69  2739.09 10321.73  1296.13  171.477   20.051  158.740   10.109 12.73712 22.45520 
1 1 1   -9   23   11 o  187.653   10.695 14437.51  1622.79  9870.64  3521.20 15669.06  1828.56  149.696   30.014  195.358   11.579 -45.66176 32.17048 
1 1 1   -9   23   12 o  301.576   13.970 37467.45  3420.78 30815.07  6622.50 39888.29  3995.00  264.364   31.470  310.113   15.919 -45.74918 35.26759 
1 1 1   -9   23   13 o   63.526   9.7161  1690.88  485.239  1239.29  1775.83  1727.32  504.436   63.323   24.417   64.165   10.009 -0.8425217 26.38870 
1 1 1   -9   23   14 f   66.833   11.077  1888.77  580.052 -1409.7350  2700.65  2048.29  593.913   56.545   25.932   69.714   10.845 -13.16937 28.10848 
1 1 1   -9   23   15 o   72.978   10.981  2249.59  630.538  5268.80  2478.98  2040.74  651.981  105.438   28.344   69.170   12.046 36.26785 30.79808 
1 1 1   -9   23   16 o   25.197   11.316 -211.0881  482.169 -2012.0560  2881.61 -159.2119  489.064   54.855   25.709   26.031   11.563 28.82407 28.18953 
1 1 1   -9   23   17 o   61.226   15.072  1662.71  744.270  2000.43  2798.07  1637.00  772.084   73.872   29.949   60.664   15.590 13.20786 33.76332 
1 1 1   -9   23   18 o  179.153   11.750 13598.36  1699.70 17752.01  4887.05 13026.79  1812.88  179.423   34.801  174.603   12.878 4.820480 37.10732 
1 1 1   -9   23   19 o   96.453   15.026  4154.10  1138.43  3680.18  4348.01  4188.98  1179.58   82.700   35.645   96.550   15.577 -13.84943 38.89978 
1 1 1   -9   23   20 o   73.109   18.048  2579.42  1064.89  3279.85  4623.71  2540.19  1094.31   76.099   34.527   72.238   18.558 3.861366 39.19881 
1 1 1   -9   23   21 o   95.387   24.857  5266.48  1944.63   0.0000   0.0000  5266.48  1944.63  ?   ?    95.387   24.857 0.000000 24.85658 
1 1 1   -9   23   22 f   38.781   18.630 -1044.8101  1707.95   0.0000   0.0000 -1044.8101  1707.95  ?   ?    38.781   18.630 0.000000 18.63034 
1 1 1   -9   25    1 o  287.757   17.908 34091.11  4163.53   0.0000   0.0000 34091.11  4163.53  ?   ?   287.757   17.908 0.000000 17.90834 
1 1 1   -9   25    2 o  460.383   24.575 87988.59  9153.31   0.0000   0.0000 87988.59  9153.31  ?   ?   460.383   24.575 0.000000 24.57502 
1 1 1   -9   25    3 o  273.229   17.541 30746.18  3870.90   0.0000   0.0000 30746.18  3870.90  ?   ?   273.229   17.541 0.000000 17.54072 
1 1 1   -9   25    4 o  387.713   17.485 61687.87  5504.33 63073.11  9691.97 61028.35  6687.48  386.457   31.151  384.003   21.535 2.453766 37.87034 
1 1 1   -9   25    5 o  520.573   22.292 112061.90  9422.39 114853.60 16424.22 110692.30 11503.72  515.806   39.516  514.187   27.655 1.618652 48.23218 
1 1 1   -9   25    6 o  252.209   16.802 26226.91  3421.14 23076.59  5161.78 28694.94  4568.75  233.355   27.789  262.579   21.621 -29.22406 35.20914 
1 1 1   -9   25    7 o  165.800   14.397 11343.00  1918.95 10853.09  3084.64 11652.29  2450.97  159.720   24.573  167.240   18.351 -7.520187 30.66866 
1 1 1   -9   25    8 o  252.228   16.266 26264.21  3313.47 27418.88  5121.37 25432.88  4345.53  254.905   25.068  246.519   21.939 8.385178 33.31269 
1 1 1   -9   25    9 o  195.683   15.224 15840.97  2399.81 13790.69  3832.96 17162.85  3077.69  178.804   27.264  202.737   18.915 -23.93352 33.18229 
1 1 1   -9   25   10 o   39.591   15.510  389.232  725.413  579.307  1737.85  349.125  798.286   57.446   23.483   40.423   16.133 17.02388 28.49084 
1 1 1   -9   25   11 o  172.225   9.5689 12177.02  1332.85 13240.00  3277.53 11966.40  1458.93  174.921   23.685  170.513   10.590 4.408081 25.94510 
1 1 1   -9   25   12 o  128.800   8.2790  6814.69  861.243  8811.27  2520.08  6550.66  916.420  141.806   22.649  126.134   9.0072 15.67161 24.37417 
1 1 1   -9   25   13 o  197.848   10.953 16203.85  1752.66 17762.12  4258.25 15886.02  1923.11  197.949   27.213  195.449   12.179 2.499832 29.81408 
1 1 1   -9   25   14 o  179.610   10.636 13387.32  1544.27 13773.49  4030.02 13320.85  1671.89  170.153   30.279  178.806   11.578 -8.652649 32.41723 
1 1 1   -9   25   15 o   89.101   10.304  3331.89  731.731  6989.89  3512.79  3165.97  748.142  115.668   34.666   86.666   10.871 29.00199 36.33086 
1 1 1   -9   25   16 o   51.801   14.279  1178.77  619.910 -3845.0510  3012.55  1400.90  633.466   49.504   24.015   56.382   13.920 -6.878571 27.75790 
1 1 1   -9   25   17 o   56.219   15.411  1416.55  724.474  6820.77  3325.61  1147.30  742.302  109.627   33.908   51.170   16.052 58.45615 37.51550 
1 1 1   -9   25   18 f   94.559   13.756  3937.40  1025.19  2343.38  4631.44  4019.52  1051.27   77.800   34.995   95.438   13.981 -17.63844 37.68449 
1 1 1   -9   25   19 o   68.477   22.497  2400.12  1446.56  7178.33  4991.26  1961.98  1511.42   92.190   38.907   63.152   22.885 29.03723 45.13823 
1 1 1   -9   25   20 o  104.661   24.837  6212.99  2078.98   0.0000   0.0000  6212.99  2078.98  ?   ?   104.661   24.837 0.000000 24.83709 
1 1 1   -9   25   21 o   38.206   18.464 -1343.6190  1738.45   0.0000   0.0000 -1343.6190  1738.45  ?   ?    38.206   18.464 0.000000 18.46414 
1 1 1   -9   27    1 o  194.095   24.897 15913.28  3833.34   0.0000   0.0000 15913.28  3833.34  ?   ?   194.095   24.897 0.000000 24.89742 
1 1 1   -9   27    2 o  118.221   29.222  6098.47  2789.06   0.0000   0.0000  6098.47  2789.06  ?   ?   118.221   29.222 0.000000 29.22205 
1 1 1   -9   27    3 o   75.510   24.622  2302.45  1733.99  2462.56  2425.78  2135.17  2479.57   81.655   29.064   79.134   29.213 2.521118 41.20811 
1 1 1   -9   27    4 o  336.672   32.259 48556.04  8710.58   0.0000   0.0000 48556.04  8710.58  ?   ?   336.672   32.259 0.000000 32.25903 
1 1 1   -9   27    5 o  356.097   33.822 54750.02  9662.01   0.0000   0.0000 54750.02  9662.01  ?   ?   356.097   33.822 0.000000 33.82248 
1 1 1   -9   27    6 o  291.373   19.624 35330.39  4615.73   0.0000   0.0000 35330.39  4615.73  ?   ?   291.373   19.624 0.000000 19.62408 
1 1 1   -9   27    7 o  326.213   27.092 45419.05  7111.02   0.0000   0.0000 45419.05  7111.02  ?   ?   326.213   27.092 0.000000 27.09191 
1 1 1   -9   27    8 o  549.013   44.860 140935.30 19823.14   0.0000   0.0000 140935.30 19823.14  ?   ?   549.013   44.860 0.000000 44.86037 
1 1 1   -9   27    9 o  139.065   19.632  8263.07  2155.13   0.0000   0.0000  8263.07  2155.13  ?   ?   139.065   19.632 0.000000 19.63221 
1 1 1   -9   27   10 o   43.681   17.961  297.717  1024.12   0.0000   0.0000  297.717  1024.12  ?   ?    43.681   17.961 0.000000 17.96127 
1 1 1   -9   27   11 o  130.626   8.9853  7032.28  947.223 11889.64  3229.71  6575.15  990.793  163.079   25.204  126.119   9.7510 36.95967 27.02410 
1 1 1   -9   27   12 o   81.958   9.2203  2795.84  602.935  5442.44  2776.76  2664.88  617.672  106.587   30.525   79.880   9.7238 26.70679 32.03653 
1 1 1   -9   27   13 o  165.656   10.342 11395.92  1384.19  9236.93  3959.66 11696.48  1477.40  133.698   35.773  167.623   10.914 -33.92577 37.40089 
1 1 1   -9   27   14 o  151.847   10.584  9624.58  1296.80  4232.87  4118.84 10217.86  1366.28   94.044   36.924  156.380   10.827 -62.33673 38.47866 
1 1 1   -9   27   15 o   44.116   14.937  792.043  636.896 -6018.1479  3942.28  974.553  645.374   52.961   26.063   47.683   14.969 5.277740 30.05573 
1 1 1   -9   27   16 o   55.784   21.406  1173.48  1360.29  2691.75  4292.53  1003.99  1434.20   81.242   35.215   54.658   21.684 26.58447 41.35583 
1 1 1   -9   27   17 o  124.810   18.722  7226.34  1838.79  8853.14  4628.25  6921.43  2003.72  110.360   40.038  119.950   21.356 -9.589745 45.37763 
1 1 1   -9   27   18 o   73.518   16.483  2542.57  959.608  3797.77  5433.26  2502.16  974.934   78.494   36.281   72.710   16.844 5.783791 40.00001 
1 1 1   -9   27   19 o  158.006   13.769 11336.91  1748.91   0.0000   0.0000 11336.91  1748.91  ?   ?   158.006   13.769 0.000000 13.76946 
1 1 1   -9   27   20 o   95.543   29.154  6662.59  2468.21   0.0000   0.0000  6662.59  2468.21  ?   ?    95.543   29.154 0.000000 29.15432 
1 1 1   -9   29    1 o  435.596   25.228 80145.92  8884.52   0.0000   0.0000 80145.92  8884.52  ?   ?   435.596   25.228 0.000000 25.22757 
1 1 1   -9   29    2 o  441.981   25.290 82614.98  9038.37   0.0000   0.0000 82614.98  9038.37  ?   ?   441.981   25.290 0.000000 25.29036 
1 1 1   -9   29    3 o  307.066   20.188 39435.07  5005.33   0.0000   0.0000 39435.07  5005.33  ?   ?   307.066   20.188 0.000000 20.18785 
1 1 1   -9   29    4 o  376.275   19.144 59085.89  5829.55 62625.97 10611.25 57555.58  6976.68  375.671   35.198  368.891   23.414 6.779968 42.27375 
1 1 1   -9   29    5 o  458.655   21.654 88507.77  8064.14 93507.98 14369.73 86209.10  9742.97  452.204   39.533  447.731   26.925 4.472992 47.83150 
1 1 1   -9   29    6 o   92.634   19.214  3719.68  1397.83  3480.07  3055.89  3783.08  1571.92   92.207   32.642   92.957   21.285 -0.7499466 38.96867 
1 1 1   -9   29    7 o  191.809   25.080 16092.88  3812.46 25304.85  4949.85  2657.91  5977.69  240.678   25.728  101.636   42.719 139.0417 49.86779 
1 1 1   -9   29    8 o  150.378   33.956 10717.45  4047.93 10717.45  4047.93   0.0000   0.0000  150.378   33.956  ?   ?  0.000000 33.95556 
1 1 1   -9   29    9 o  174.122   33.440 14420.97  4556.02 14420.97  4556.02   0.0000   0.0000  174.122   33.440  ?   ?  0.000000 33.44050 
1 1 1   -9   29   10 o  249.153   35.202 30150.87  6923.12 30150.87  6923.12   0.0000   0.0000  249.153   35.202  ?   ?  0.000000 35.20167 
1 1 1   -9   29   11 o  184.307   13.849 14317.86  2057.31 11562.48  4992.82 14881.37  2257.91  146.119   40.617  187.346   14.968 -41.22672 43.28715 
1 1 1   -9   29   12 f  176.806   14.634 13306.92  2082.02   0.0000   0.0000 13306.92  2082.02  ?   ?   176.806   14.634 0.000000 14.63427 
1 1 1   -9   29   16 o   52.316   16.052  1242.50  746.988   0.0000   0.0000  1242.50  746.988  ?   ?    52.316   16.052 0.000000 16.05193 
1 1 1   -9   29   17 o   65.787   17.188  2077.94  928.243   0.0000   0.0000  2077.94  928.243  ?   ?    65.787   17.188 0.000000 17.18788 
1 1 1   -9   29   18 o   28.320   13.251 -551.5345  760.176   0.0000   0.0000 -551.5345  760.176  ?   ?    28.320   13.251 0.000000 13.25113 
1 1 1   -9   31    1 o  146.615   20.162  9224.23  2336.74   0.0000   0.0000  9224.23  2336.74  ?   ?   146.615   20.162 0.000000 20.16228 
1 1 1   -9   31    2 o  163.697   19.556 11441.60  2547.82   0.0000   0.0000 11441.60  2547.82  ?   ?   163.697   19.556 0.000000 19.55569 
1 1 1   -9   31    3 o  160.016   19.542 10956.60  2486.30   0.0000   0.0000 10956.60  2486.30  ?   ?   160.016   19.542 0.000000 19.54209 
1 1 1   -9   31    4 o  250.265   17.320 26404.94  3497.85 31116.34  6962.88 24814.62  4045.35  259.127   33.906  240.553   20.920 18.57446 39.84068 
1 1 1   -9   31    5 o  181.611   17.926 14033.11  2608.87 10211.49  5553.04 15115.53  2955.33  140.239   43.889  187.684   19.686 -47.44510 48.10141 
1 1 1   -9   31    6 o  288.782   18.877 35582.01  4402.00 31871.01  8280.97 37043.70  5197.12  251.009   42.123  292.116   22.074 -41.10748 47.55641 
1 1 1   -9   31    7 o  167.132   17.729 11967.84  2369.18 10946.18  5086.82 12250.85  2677.29  144.286   41.314  167.936   20.029 -23.65059 45.91285 
1 1 1   -9   31    8 o  160.303   18.401 11112.47  2351.69 15642.00  5003.52  9828.15  2664.32  177.012   36.038  148.246   22.870 28.76611 42.68184 
1 1 1   -9   31    9 o  115.569   21.618  6015.91  1954.03  8635.18  4427.17  5382.19  2177.62  126.777   39.108  107.319   25.387 19.45777 46.62570 
1 1 1   -9   31   10 o   77.305   21.773  2737.95  1424.95  2521.79  4084.33  2767.91  1520.49   84.959   35.483   77.596   22.695 7.362457 42.12034 
1 1 1   -9   31   11 o  169.481   19.017 12720.38  2571.90 15894.00  5590.91 11868.54  2896.57  165.696   41.613  160.831   22.821 4.865540 47.45994 
1 1 1   -9   31   12 o  181.548   19.601 14813.83  2843.56 13966.43  6122.40 15046.91  3210.90  143.138   46.237  180.422   22.400 -37.28398 51.37697 
1 1 1   -9   31   13 o   83.165   10.232  2934.32  676.362 10552.70  4761.02  2777.40  683.292  127.220   40.740   80.723   10.688 46.49690 42.11842 
1 1 1   -9   31   14 f  114.068   10.430  5524.05  955.326 -1237.9950  4654.90  5821.39  976.104   66.661   31.672  117.148   10.369 -50.48751 33.32597 
1 1 1   -9   31   15 o   43.619   14.256  828.493  581.177  6242.76  4983.55  753.843  585.170   90.002   38.463   42.165   14.318 47.83738 41.04105 
1 1 1   -9   31   16 o   57.411   14.828  1545.57  696.093 -632.4774  5427.31  1582.00  701.890   64.722   31.584   58.085   14.831 6.636921 34.89277 
1 1 1   -9   31   17 o   93.099   26.689  5443.57  2121.71   0.0000   0.0000  5443.57  2121.71  ?   ?    93.099   26.689 0.000000 26.68879 
1 1 1   -9   31   18 o   60.358   24.107  2382.21  1783.78   0.0000   0.0000  2382.21  1783.78  ?   ?    60.358   24.107 0.000000 24.10699 
1 1 1   -9   33    1 o  138.935   23.038  8601.88  2507.84   0.0000   0.0000  8601.88  2507.84  ?   ?   138.935   23.038 0.000000 23.03770 
1 1 1   -9   33    2 o  108.839   24.398  5399.74  2102.81   0.0000   0.0000  5399.74  2102.81  ?   ?   108.839   24.398 0.000000 24.39773 
1 1 1   -9   33    3 o  205.012   21.526 18413.19  3529.87   0.0000   0.0000 18413.19  3529.87  ?   ?   205.012   21.526 0.000000 21.52646 
1 1 1   -9   33    4 o  249.791   22.186 27465.96  4453.03   0.0000   0.0000 27465.96  4453.03  ?   ?   249.791   22.186 0.000000 22.18633 
1 1 1   -9   33    5 o  109.032   23.497  5434.21  2018.84  7147.64  4808.29  5067.52  2224.40  116.187   40.965  103.944   26.327 12.24299 48.69579 
1 1 1   -9   33    6 o  186.601   21.970 15509.71  3265.00 17587.03  6362.45 14767.12  3804.08  176.329   44.451  178.063   27.172 -1.734009 52.09824 
1 1 1   -9   33    7 o  109.798   24.729  5642.70  2151.65  6355.04  5025.39  5482.81  2380.91  108.753   41.283  106.782   27.342 1.971420 49.51687 
1 1 1   -9   33    8 f   62.495   23.535  1487.76  1625.14 -7144.9131  4734.54  2640.72  1730.27   58.085   28.581   75.810   24.590 -17.72490 37.70286 
1 1 1   -9   33    9 o  103.556   24.109  5098.89  1989.29  2121.35  5430.86  5560.30  2137.88   86.607   38.499  107.741   24.932 -21.13362 45.86684 
1 1 1   -9   33   10 o   58.876   22.334  1330.41  1470.07  4301.84  5182.19  1070.37  1533.05   92.794   39.428   56.740   22.447 36.05416 45.36983 
1 1 1   -9   33   11 o   68.530   23.138  2193.84  1528.15  1537.31  5492.62  2248.92  1590.96   80.887   37.054   69.290   23.608 11.59673 43.93561 
1 1 1   -9   33   12 o  102.289   10.340  4442.24  846.977 -2154.9341  5237.24  4619.42  858.275   67.641   32.528  104.361   10.261 -36.72042 34.10775 
1 1 1   -9   33   13 o  107.730   10.715  4970.16  924.817 10548.42  6553.92  4856.83  934.164  104.139   44.296  106.350   10.976 -2.210938 45.63559 
1 1 1   -9   33   14 f   61.257   12.479  1686.37  599.614  3172.31  6543.59  1673.79  602.148   76.274   36.595   60.981   12.579 15.29251 38.69648 
1 1 1   -9   33   15 o   74.637   12.406  2515.26  725.461  2753.98  7056.94  2512.71  729.325   70.145   34.588   74.548   12.491 -4.402229 36.77420 
1 1 1   -9   33   16 o   48.021   20.656  821.422  1454.29   0.0000   0.0000  821.422  1454.29  ?   ?    48.021   20.656 0.000000 20.65628 
1 1 1   -9   35    1 o  126.076   34.982  8289.04  3707.08   0.0000   0.0000  8289.04  3707.08  ?   ?   126.076   34.982 0.000000 34.98179 
1 1 1   -9   35    2 o  242.411   33.997 29499.91  6507.69   0.0000   0.0000 29499.91  6507.69  ?   ?   242.411   33.997 0.000000 33.99738 
1 1 1   -9   35    3 o  115.909   30.909  6749.98  2962.35   0.0000   0.0000  6749.98  2962.35  ?   ?   115.909   30.909 0.000000 30.90937 
1 1 1   -9   35    4 o   98.595   31.644  4920.19  2871.19   0.0000   0.0000  4920.19  2871.19  ?   ?    98.595   31.644 0.000000 31.64412 
1 1 1   -9   35    5 o   44.203   20.460 -1073.2970  1736.86   0.0000   0.0000 -1073.2970  1736.86  ?   ?    44.203   20.460 0.000000 20.45974 
1 1 1   -9   35    6 o  162.795   23.690 12354.50  3039.64 20292.36  7376.75 10731.08  3336.01  171.946   49.902  147.009   28.978 24.93692 57.70567 
1 1 1   -9   35    7 o  101.202   27.220  5134.89  2285.43  8287.23  6486.00  4688.01  2442.05  110.415   45.278   95.673   28.956 14.74200 53.74531 
1 1 1   -9   35    8 o   54.468   23.162  543.502  1791.03 -328.0046  5892.28  632.220  1879.98   77.700   36.527   56.042   23.777 21.65812 43.58362 
1 1 1   -9   35    9 o   57.134   23.670  939.152  1796.49 -1172.9700  6519.58  1112.70  1868.84   76.359   36.607   59.155   24.286 17.20396 43.93094 
1 1 1   -9   35   10 o   23.862   12.117 -4324.5518  1231.12 -7249.5381  6306.67 -4208.6748  1255.27   63.103   31.390   24.514   12.425 38.58891 33.75995 
1 1 1   -9   35   11 o   45.586   20.707 -333.9268  1669.17 -5202.9492  7052.16 -44.9691  1717.98   66.880   33.257   47.948   21.459 18.93194 39.57958 
1 1 1   -9   35   12 o  106.083   10.575  4853.48  898.784 15153.86  8154.53  4726.81  904.293  102.215   46.164  104.543   10.809 -2.327431 47.41213 
1 1 1   -9   35   13 o  125.983   11.192  6949.24  1132.97 16717.11  8859.94  6786.86  1142.35   92.345   43.822  124.288   11.448 -31.94300 45.29310 
1 1 1   -9   35   14 f   54.552   23.819  1256.73  1993.85   0.0000   0.0000  1256.73  1993.85  ?   ?    54.552   23.819 0.000000 23.81925 
1 1 1   -9   35   15 f   34.953   17.198 -2096.1130  1714.08   0.0000   0.0000 -2096.1130  1714.08  ?   ?    34.953   17.198 0.000000 17.19825 
1 1 1   -9   37    1 o  142.964   30.689 10579.47  3455.94   0.0000   0.0000 10579.47  3455.94  ?   ?   142.964   30.689 0.000000 30.68901 
1 1 1   -9   37    2 o  162.523   30.800 13647.94  3915.68   0.0000   0.0000 13647.94  3915.68  ?   ?   162.523   30.800 0.000000 30.79993 
1 1 1   -9   37    3 o   79.745   30.613  3036.26  2782.80   0.0000   0.0000  3036.26  2782.80  ?   ?    79.745   30.613 0.000000 30.61333 
1 1 1   -9   37    4 o  243.833   28.228 29895.96  5485.43   0.0000   0.0000 29895.96  5485.43  ?   ?   243.833   28.228 0.000000 28.22836 
1 1 1   -9   37    5 o  193.985   29.721 19557.45  4532.08   0.0000   0.0000 19557.45  4532.08  ?   ?   193.985   29.721 0.000000 29.72051 
1 1 1   -9   37    6 o  205.249   26.132 21094.55  4256.29 32501.01 10950.65 19064.72  4619.50  163.059   61.153  187.674   31.426 -24.61528 68.75500 
1 1 1   -9   37    7 o   64.355   26.675  1551.49  2283.30 -1082.9490  8083.62  1779.89  2380.22   78.177   38.235   66.494   27.367 11.68301 47.01959 
1 1 1   -9   37    8 o   95.185   31.027  5406.18  2753.40  862.770  9033.06  5871.55  2890.97   80.105   39.427   98.416   31.770 -18.31104 50.63474 
1 1 1   -9   37    9 o  113.145   31.322  7812.37  2975.62  7214.33  9489.85  7877.57  3133.66   85.551   41.752  111.631   32.561 -26.07942 52.94798 
1 1 1   -9   37   10 o   64.964   25.802  2189.38  2032.82 10314.14  9345.63  1785.88  2082.69   84.975   41.463   61.846   25.542 23.12895 48.69891 
1 1 1   -9   37   11 o  143.417   32.074 13589.05  3641.38 30468.20 11777.03 11804.83  3829.00   97.019   47.161  124.140   35.931 -27.12086 59.28918 
1 1 1   -9   37   12 o   43.940   20.129 -28.2189  1621.04 -6382.1782 10392.75  130.222  1641.12   60.723   31.175   45.063   20.494 15.65987 37.30763 
1 1 1   -9   37   13 o   42.686   20.402 -700.6698  1991.76   0.0000   0.0000 -700.6698  1991.76  ?   ?    42.686   20.402 0.000000 20.40246 
1 1 1   -9   39    1 o   79.489   32.928  3451.69  3476.46   0.0000   0.0000  3451.69  3476.46  ?   ?    79.489   32.928 0.000000 32.92829 
1 1 1   -9   39    2 o   95.870   35.394  6084.94  3639.99   0.0000   0.0000  6084.94  3639.99  ?   ?    95.870   35.394 0.000000 35.39388 
1 1 1   -9   39    3 o   47.371   22.785 -2255.3169  2573.15   0.0000   0.0000 -2255.3169  2573.15  ?   ?    47.371   22.785 0.000000 22.78521 
1 1 1   -9   39    4 o   55.336   25.221 -13.8521  2503.19   0.0000   0.0000 -13.8521  2503.19  ?   ?    55.336   25.221 0.000000 25.22136 
1 1 1   -9   39    5 o  148.373   36.464 14614.73  4361.73   0.0000   0.0000 14614.73  4361.73  ?   ?   148.373   36.464 0.000000 36.46420 
1 1 1   -9   39    6 o  150.291   36.175 15298.92  4361.35   0.0000   0.0000 15298.92  4361.35  ?   ?   150.291   36.175 0.000000 36.17544 
1 1 1   -9   39    7 o   57.357   26.032  692.699  2631.05 -4957.4771 11422.77  1009.26  2703.75   69.329   35.364   59.265   26.691 10.06435 44.30557 
1 1 1   -9   39    8 o   49.559   23.549 -827.3003  2574.55 -2375.8230 11290.20 -742.3612  2644.21   67.850   34.655   50.367   23.913 17.48227 42.10500 
1 1 1   -9   39    9 o   78.252   31.741  5097.82  3144.88   93.062 12608.41  5429.84  3247.52   66.213   34.010   79.690   32.279 -13.47730 46.88953 
1 1 1   -9   39   10 o   56.741   25.126  1697.10  2291.92  6500.35 12613.29  1533.09  2330.72   64.858   33.332   55.904   25.009 8.953926 41.67128 
1 1 1   -9   41    1 o   66.290   30.626  2168.43  3865.36   0.0000   0.0000  2168.43  3865.36  ?   ?    66.290   30.626 0.000000 30.62622 
1 1 1   -9   41    2 o   59.498   28.403  200.254  3835.88   0.0000   0.0000  200.254  3835.88  ?   ?    59.498   28.403 0.000000 28.40335 
1 1 1   -9   41    3 o   52.425   25.522 -1660.1100  3484.37   0.0000   0.0000 -1660.1100  3484.37  ?   ?    52.425   25.522 0.000000 25.52235 
1 1 1   -9   41    4 o   74.600   33.444  5069.16  4191.14   0.0000   0.0000  5069.16  4191.14  ?   ?    74.600   33.444 0.000000 33.44357 
1 1 1   -9   41    5 o   57.906   27.419  897.363  3431.32   0.0000   0.0000  897.363  3431.32  ?   ?    57.906   27.419 0.000000 27.41910 
1 1 1   -9   41    6 o   80.578   34.969  7617.29  4242.77   0.0000   0.0000  7617.29  4242.77  ?   ?    80.578   34.969 0.000000 34.96909 
1 1 1   -8    0    4 o  570.469   27.898 133930.50 12851.99 129046.50 18182.27 138807.20 18168.65  555.549   40.814  577.120   39.187 0.000000 0.000000 
1 1 1   -8    0    5 o   93.216   7.1873  3591.39  536.559  3643.79  754.568  3537.80  763.121   93.031   10.313   91.507   10.647 -0.000000 0.000000 
1 1 1   -8    0    6 o   53.309   6.7285  1208.01  278.627  866.208  393.047  1553.28  395.037   40.910   13.359   60.073   8.6122 -0.000000 0.000000 
1 1 1   -8    0    7 o  241.884   12.784 23966.31  2494.78 25168.36  3535.26 22773.90  3521.07  246.924   17.847  234.466   18.772 0.000000 0.000000 
1 1 1   -8    0    8 o  218.495   11.875 19561.67  2092.54 19935.48  2945.15 19180.59  2973.66  219.604   16.741  215.202   17.274 -0.000000 0.000000 
1 1 1   -8    0    9 f  332.796   16.851 45346.43  4526.87 45476.89  6389.18 45214.91  6414.82  331.834   24.002  330.820   24.178 -0.000000 0.000000 
1 1 1   -8    0   10 o  1023.99   49.157 431991.00 40657.30 368901.50 57486.79 495130.31 57509.42  935.161   76.905  1090.98   65.460 -0.000000 0.000000 
1 1 1   -8    0   11 o  368.195   18.352 55533.01  5455.41 46254.64  7696.79 64900.25  7733.56  333.192   28.953  397.097   24.191 -0.000000 0.000000 
1 1 1   -8    0   12 o  169.913   15.187 12018.82  2056.74   0.0000   0.0000 12018.82  2056.74  169.913   15.187  169.913   15.187 -0.000000 0.000000 
1 1 1   -8    0   13 o  313.872   16.239 40420.24  4113.36 38663.54  5846.08 42142.62  5788.69  304.970   23.948  319.015   22.608 0.000000 0.000000 
1 1 1   -8    0   14 o  273.894   14.483 30783.45  3200.43 30385.11  4493.32 31193.62  4559.60  270.571   20.732  274.203   20.753 -0.000000 0.000000 
1 1 1   -8    0   15 o  506.610   25.079 105836.90 10258.79 106859.40 14547.54 104825.50 14469.01  505.005   35.894  500.030   36.069 0.000000 0.000000 
1 1 1   -8    0   16 o  ?   ?  -1470.6021  357.600 -1034.1440  511.126 -1889.0800  500.487   12.707   9.2071   12.707   9.2071 -0.000000 0.000000 
1 1 1   -8    0   17 f   67.694   11.838  2026.75  591.145  1376.71  926.956  2472.34  767.459   48.148   21.896   74.159   14.272 0.000000 0.000000 
1 1 1   -8    0   18 o  173.965   11.166 12474.76  1562.30 12914.27  2130.34 11963.32  2298.04  175.941   15.172  168.499   17.208 -0.000000 0.000000 
1 1 1   -8    0   19 o   77.827   13.450  2682.12  773.815  4217.96  1570.73  2189.92  889.206   93.296   23.989   66.269   19.056 0.000000 0.000000 
1 1 1   -8    0   20 f  114.052   11.633  5480.71  1051.62  5093.37  1274.65  6306.34  1860.97  108.265   15.401  118.047   21.537 -0.000000 0.000000 
1 1 1   -8    0   21 o  115.970   11.490  5668.60  1057.60  5198.14  1254.74  6822.99  1965.49  109.471   14.896  122.620   21.794 -0.000000 0.000000 
1 1 1   -8    0   22 o   20.881   13.855 -153.4377  622.416 -3228.8750  1900.20  216.185  658.757   25.497   18.371   25.805   15.948 0.000000 0.000000 
1 1 1   -8    0   23 o  214.758   14.164 19398.26  2445.26 20811.03  3975.48 18538.49  3101.31  216.445   23.304  207.139   18.795 0.000000 0.000000 
1 1 1   -8    0   24 o   92.089   15.304  3819.08  1049.30  3734.71  2527.77  3836.65  1153.37   72.465   35.798   91.016   17.468 0.000000 0.000000 
1 1 1   -8    0   25 o   52.417   21.856  1680.78  929.758  1680.78  929.758   0.0000   0.0000   52.417   21.856   52.417   21.856 -0.000000 0.000000 
1 1 1   -8    0   26 o   49.007   21.940  1564.45  929.940   0.0000   0.0000  1564.45  929.940   49.007   21.940   49.007   21.940 0.000000 0.000000 
1 1 1   -8    2    4 o  689.686   27.144 195476.80 15200.95 196472.30 26325.89 194979.00 18618.32  681.308   47.893  686.679   33.392 -5.370178 58.38478 
1 1 1   -8    2    5 o  711.776   24.079 207235.41 13916.31 204497.00 19674.82 209976.91 19686.44  704.313   34.404  713.825   33.965 -9.511658 48.34533 
1 1 1   -8    2    6 o  855.980   28.944 299863.19 20116.92 298605.31 28446.07 301121.59 28453.16  850.705   41.182  854.336   41.017 -3.631531 58.12339 
1 1 1   -8    2    7 o  366.830   12.811 54700.10  3815.92 54758.47  5392.57 54641.55  5400.49  366.793   18.107  366.399   18.153 0.3941650 25.63917 
1 1 1   -8    2    8 o  594.437   23.242 143979.30 11218.00 146785.80 13738.03 138363.20 19433.44  599.687   28.214  578.973   41.616 20.71417 50.27831 
1 1 1   -8    2    9 o  829.749   27.875 280885.00 18780.24 277013.69 26553.40 284759.69 26565.13  821.930   39.787  833.453   39.255 -11.52234 55.89261 
1 1 1   -8    2   10 o  465.232   15.962 88032.71  6029.83 86896.38  8521.14 89172.41  8533.80  461.785   22.726  467.814   22.466 -6.028229 31.95615 
1 1 1   -8    2   11 o  635.078   21.429 164533.00 11050.08 161790.30 15621.32 167279.91 15633.03  628.192   30.626  638.859   30.137 -10.66718 42.96712 
1 1 1   -8    2   12 o  485.489   23.804 96593.04  9383.49 96504.27 13267.90 96681.88 13272.61  481.758   34.139  482.210   34.119 -0.4517822 48.26598 
1 1 1   -8    2   13 o  436.635   15.165 77799.02  5376.66 79486.54  7598.58 76106.91  7608.91  440.259   21.256  430.139   21.858 10.11975 30.48915 
1 1 1   -8    2   14 o  187.386   7.6656 14277.29  1166.33 13761.62  1648.10 14794.63  1650.77  183.482   11.115  190.311   10.727 -6.828720 15.44666 
1 1 1   -8    2   15 o  422.825   14.638 73063.77  5025.68 72325.19  7102.13 73804.55  7112.65  419.261   20.862  423.576   20.681 -4.315063 29.37564 
1 1 1   -8    2   16 o   93.135   10.075  3575.76  749.725  2116.29  1260.27  4375.17  932.719   70.928   20.638  102.949   11.347 -32.02024 23.55157 
1 1 1   -8    2   17 o  281.820   10.499 32405.43  2402.54 31335.08  3393.15 33481.56  3402.29  275.970   15.201  285.405   14.732 -9.435730 21.16850 
1 1 1   -8    2   18 o  234.348   9.2990 22409.81  1769.43 22528.68  2496.38 22289.79  2508.38  234.008   13.192  232.729   13.330 1.279312 18.75392 
1 1 1   -8    2   19 o   67.740   9.4130  1912.67  503.751  2207.07  667.690  1523.66  767.520   72.395   11.762   59.546   15.664 12.84956 19.58872 
1 1 1   -8    2   20 o  195.885   8.7474 15736.68  1391.29 14774.55  1969.46 16695.15  1965.72  188.256   12.963  200.487   12.132 -12.23071 17.75505 
1 1 1   -8    2   21 f   79.686   8.6357  2641.55  549.807  2486.25  764.182  2808.20  791.633   76.200   12.805   81.210   12.398 -5.010376 17.82405 
1 1 1   -8    2   22 o   97.613   9.3170  3979.78  729.489  5254.99  993.330  2486.86  1074.78  111.682   11.101   74.145   18.027 37.53641 21.17110 
1 1 1   -8    2   23 f   80.507   10.469  2758.54  668.130  2609.76  952.198  2902.83  937.724   76.128   15.917   80.878   14.826 -4.749878 21.75171 
1 1 1   -8    2   24 o   45.341   13.503  913.890  534.203  500.358  707.021  1464.04  815.490   39.384   15.345   56.243   16.668 -16.85843 22.65597 
1 1 1   -8    2   25 o   30.442   12.778  141.566  533.698  134.727  702.987  150.871  819.974   33.818   14.449   36.097   15.518 -2.279579 21.20358 
1 1 1   -8    2   26 o   58.570   13.833  1653.86  647.349  1302.26  857.627  2119.45  986.905   50.546   17.332   63.009   18.243 -12.46327 25.16371 
1 1 1   -8    4    3 o  736.646   52.469 231768.59 31178.20 231768.59 31178.20   0.0000   0.0000  736.646   52.469  ?   ?  0.000000 52.46887 
1 1 1   -8    4    4 o  573.456   22.385 134488.41 10423.01 139719.80 18077.77 131883.41 12756.87  579.129   38.667  566.774   27.720 12.35486 47.57632 
1 1 1   -8    4    5 o  442.513   15.260 79706.59  5482.94 83011.46  7749.70 76394.30  7758.41  451.052   21.160  432.034   22.191 19.01758 30.66291 
1 1 1   -8    4    6 o  119.897   5.4244  5837.63  528.083  6615.53  739.745  5029.23  754.105  127.421   7.1792  110.946   8.4342 16.47536 11.07597 
1 1 1   -8    4    7 o  636.122   21.539 164840.50 11125.19 167256.00 15724.78 162419.59 15742.02  639.709   30.274  630.325   30.758 9.384766 43.15716 
1 1 1   -8    4    8 o  933.747   44.608 358545.50 33820.30 341942.59 47809.37 375175.91 47848.93  903.004   65.655  947.436   62.551 -44.43207 90.68187 
1 1 1   -8    4    9 o  883.562   29.521 318709.59 21178.87 316589.41 29944.03 320832.00 29958.86  878.132   41.996  884.057   41.736 -5.925293 59.20774 
1 1 1   -8    4   10 o  304.594   10.841 37700.07  2681.31 37657.91  3783.29 37742.62  3800.67  303.897   15.382  304.235   15.436 -0.3380127 21.79196 
1 1 1   -8    4   11 o  764.116   25.699 238872.80 15944.59 240029.09 22540.93 237714.91 22557.20  763.034   36.382  759.281   36.588 3.752869 51.59832 
1 1 1   -8    4   12 o  857.851   42.064 308284.59 29299.33 317310.09 41435.08 299258.69 41435.95  855.038   60.063  828.476   62.048 26.56152 86.35677 
1 1 1   -8    4   13 o  438.888   15.258 78619.37  5437.39 78987.91  7680.38 78249.04  7698.92  438.756   21.559  436.666   21.714 2.090240 30.59866 
1 1 1   -8    4   14 o  411.249   14.365 69041.29  4796.61 69192.57  6774.43 68889.20  6792.47  410.573   20.321  409.650   20.421 0.9230957 28.80897 
1 1 1   -8    4   15 o  116.558   6.5213  5540.31  614.710  5440.02  847.633  5651.57  892.787  115.245   9.1331  117.443   9.4421 -2.197937 13.13642 
1 1 1   -8    4   16 o  184.165   7.8264 13802.03  1170.33 13552.55  1638.27 14062.03  1672.45  181.938   11.143  185.336   11.166 -3.397766 15.77502 
1 1 1   -8    4   17 o  482.133   16.897 95627.71  6614.83 97671.11  9346.97 93577.46  9362.60  484.151   23.777  472.968   24.463 11.18332 34.11430 
1 1 1   -8    4   18 o  327.798   11.998 44010.03  3193.49 44292.22  4513.01 43727.02  4519.55  326.964   17.058  324.813   17.198 2.151001 24.22291 
1 1 1   -8    4   19 o  248.352   9.6376 25258.18  1943.46 24262.49  2750.88 26250.38  2746.05  241.846   14.069  251.807   13.480 -9.960846 19.48462 
1 1 1   -8    4   20 o   80.595   8.4910  2691.97  547.297  3179.56  722.774  2036.64  837.917   87.256   10.407   68.423   15.448 18.83308 18.62642 
1 1 1   -8    4   21 o  163.758   8.1826 11021.21  1088.02 11639.12  1527.45 10384.77  1550.18  167.001   11.331  157.350   12.229 9.650772 16.67205 
1 1 1   -8    4   22 o   62.039   12.333  1670.76  599.369  2017.97  823.181  1278.99  874.407   67.401   15.381   54.381   17.464 13.02036 23.27145 
1 1 1   -8    4   23 o   92.417   9.1009  3587.59  674.060  3542.15  902.715  3644.86  1013.38   90.462   12.635   91.097   14.160 -0.6347351 18.97745 
1 1 1   -8    4   24 o   32.635   12.729  317.151  486.942  702.803  616.318 -323.4996  794.360   41.532   14.664   31.537   14.310 9.994532 20.48911 
1 1 1   -8    4   25 o  115.265   10.846  5795.06  1003.12  5777.73  1353.94  5816.16  1493.55  111.402   15.378  110.011   17.291 1.391220 23.14005 
1 1 1   -8    4   26 o   29.087   12.933 -51.1199  613.224 -431.4227  743.475  758.170  1084.56   28.351   13.212   44.154   18.350 -15.80305 22.61129 
1 1 1   -8    6    1 o  706.242   50.347 211932.20 28682.23 211932.20 28682.23   0.0000   0.0000  706.242   50.347  ?   ?  0.000000 50.34705 
1 1 1   -8    6    2 o  597.112   28.976 146636.09 14048.64 152557.91 19892.66 140743.80 19843.00  603.980   40.802  579.310   42.481 24.67004 58.90240 
1 1 1   -8    6    3 o  670.206   32.500 185046.50 17685.75 184234.91 25033.28 185855.30 24989.62  662.066   46.870  665.130   46.565 -3.064575 66.06908 
1 1 1   -8    6    4 o  563.454   27.318 129983.60 12498.32 128297.80 17693.52 131662.50 17657.12  555.939   39.453  563.405   38.835 -7.466675 55.35945 
1 1 1   -8    6    5 o  496.855   19.234 100558.00  7759.45 112977.70 13486.94 94413.05  9486.79  524.191   31.838  480.338   24.404 43.85239 40.11514 
1 1 1   -8    6    6 o  455.483   15.512 84382.50  5736.81 89542.60  8114.21 79225.28  8111.94  468.821   21.316  440.296   22.768 28.52472 31.18902 
1 1 1   -8    6    7 o  1200.95   47.275 594434.31 46099.16 545645.69 79877.20 618800.12 56448.71  1127.17   87.973  1221.21   56.928 -94.04272 104.7855 
1 1 1   -8    6    8 o  720.854   27.882 211988.41 16319.64 196389.91 28215.05 219830.30 20005.63  688.175   50.855  733.263   33.601 -45.08862 60.95274 
1 1 1   -8    6    9 o  548.852   18.594 122582.00  8286.22 120757.60 11710.04 124411.80 11726.94  544.102   26.506  552.307   26.150 -8.205688 37.23384 
1 1 1   -8    6   10 o  1604.40   54.142 1071913.00 70532.09 1069568.00 99739.27 1074260.00 99755.62  1581.82   77.655  1585.46   77.490 -3.635498 109.7041 
1 1 1   -8    6   11 o  760.590   25.837 237021.70 15956.50 236342.91 22555.92 237701.70 22575.88  755.983   36.746  758.181   36.672 -2.198059 51.91435 
1 1 1   -8    6   12 o  487.588   16.848 97066.17  6670.40 98969.95  9423.04 95154.05  9443.73  491.009   23.635  480.716   24.273 10.29254 33.87937 
1 1 1   -8    6   13 o  473.717   16.300 91684.62  6269.85 92972.96  8855.33 90389.53  8878.52  475.567   22.933  468.813   23.324 6.753998 32.70955 
1 1 1   -8    6   14 o  445.061   15.164 80933.75  5479.75 81790.84  7737.25 80071.20  7761.89  446.012   21.365  441.219   21.666 4.792358 30.42810 
1 1 1   -8    6   15 o  335.210   11.880 45833.00  3233.48 44659.64  4555.67 47024.19  4590.17  329.642   17.079  338.769   16.687 -9.126678 23.87803 
1 1 1   -8    6   16 o  194.864   8.0922 15456.38  1280.37 15607.13  1792.32 15299.27  1829.70  195.239   11.355  193.245   11.716 1.994095 16.31588 
1 1 1   -8    6   17 o  112.187   6.8023  5139.93  616.707  5254.47  831.708  5000.05  919.144  113.171   9.1287  110.204   10.395 2.967224 13.83404 
1 1 1   -8    6   18 o  240.373   9.6891 23603.81  1891.08 23481.75  2658.27 23728.87  2690.80  238.612   13.779  239.843   13.876 -1.230301 19.55547 
1 1 1   -8    6   19 o  281.788   10.629 32609.26  2432.03 32219.11  3436.14 33000.90  3442.70  278.022   15.280  281.460   15.120 -3.438354 21.49598 
1 1 1   -8    6   20 o  172.734   8.3650 12237.93  1173.22 12910.35  1626.74 11509.04  1693.66  176.294   11.426  165.976   12.663 10.31743 17.05572 
1 1 1   -8    6   21 o   23.128   9.8965  -6.5506  330.691  130.425  353.464 -967.9626  936.437   26.369   10.660   30.640   14.452 -4.271301 17.95862 
1 1 1   -8    6   22 o  132.384   8.6740  7277.18  927.223  7384.88  1233.86  7137.46  1405.40  132.217   11.611  129.036   13.620 3.181488 17.89702 
1 1 1   -8    6   23 o   45.071   12.793  892.814  489.939  1422.34  587.258 -319.6752  888.635   56.614   13.043   33.893   15.279 22.72116 20.08964 
1 1 1   -8    6   24 o   36.148   12.961  507.070  483.218  460.868  574.328  619.033  894.065   36.620   13.943   43.373   17.148 -6.753563 22.10098 
1 1 1   -8    6   25 o   24.480   10.872 -95.8458  432.135  305.998  490.910 -1479.0410  910.783   32.024   12.692   26.146   12.797 5.877974 18.02385 
1 1 1   -8    6   26 o   64.984   12.164  1973.90  618.246  1951.07  736.555  2028.35  1137.42   62.734   14.714   59.469   19.963 3.264938 24.79960 
1 1 1   -8    8    2 o  232.948   12.772 22136.85  2406.65 21740.82  3416.44 22526.94  3390.75  230.245   18.429  234.456   17.948 -4.211441 25.72438 
1 1 1   -8    8    3 o  537.477   26.369 118082.00 11507.94 108822.50 16304.48 127274.20 16245.05  512.371   39.495  555.203   36.234 -42.83179 53.59856 
1 1 1   -8    8    4 o  442.425   21.868 79791.58  7855.69 74881.71 11143.65 84641.96 11075.92  426.360   32.433  453.853   30.229 -27.49304 44.33552 
1 1 1   -8    8    5 o  1257.99   90.170 684600.50 91492.29 684600.50 91492.29   0.0000   0.0000  1257.99   90.170  ?   ?  0.000000 90.16953 
1 1 1   -8    8    6 o  535.245   22.056 116694.00  9585.41 97357.83 16672.21 126241.50 11715.25  484.876   42.786  556.360   25.933 -71.48364 50.03170 
1 1 1   -8    8    7 o  259.572   19.231 27567.09  4024.42   0.0000   0.0000 27567.09  4024.42  ?   ?   259.572   19.231 0.000000 19.23129 
1 1 1   -8    8    8 o  212.877   11.020 18461.48  1898.22 10621.32  3232.10 22589.63  2345.31  159.391   25.860  235.449   12.310 -76.05835 28.64050 
1 1 1   -8    8    9 f  867.492   28.581 307431.19 20131.65 317264.81 28466.75 297592.41 28474.16  878.669   39.900  850.646   41.225 28.02313 57.37197 
1 1 1   -8    8   10 o  379.164   13.182 58479.69  4058.40 62805.54  5734.57 54139.13  5744.32  392.609   17.989  363.885   19.513 28.72421 26.53964 
1 1 1   -8    8   11 o  525.749   25.490 113443.60 10881.32 120804.90 15435.68 106171.60 15341.76  538.727   35.486  504.073   37.758 34.65405 51.81627 
1 1 1   -8    8   12 o  324.063   11.935 42768.71  3140.49 44194.24  4431.40 41330.35  4451.32  328.517   16.667  317.554   17.329 10.96268 24.04380 
1 1 1   -8    8   13 o  576.181   19.221 136043.50  8992.28 135478.70 12709.64 136609.59 12724.38  572.267   27.352  574.683   27.269 -2.416077 38.62326 
1 1 1   -8    8   14 o  743.444   25.270 228652.00 15254.41 225413.59 21564.79 231895.20 21581.19  730.926   36.336  741.745   35.833 -10.81921 51.03218 
1 1 1   -8    8   15 o  385.112   13.677 60610.91  4276.88 61964.74  6039.26 59248.82  6057.63  388.160   19.162  378.913   19.757 9.246887 27.52325 
1 1 1   -8    8   16 o  293.282   11.153 35105.49  2656.01 36358.99  3746.44 33838.89  3765.97  297.335   15.572  286.652   16.247 10.68265 22.50454 
1 1 1   -8    8   17 o  281.302   10.296 32306.63  2351.69 29617.48  3309.53 35049.31  3342.30  268.023   15.271  292.288   14.083 -24.26456 20.77318 
1 1 1   -8    8   18 o  155.399   7.2926  9843.16  920.176  9236.93  1277.42 10496.99  1326.63  149.848   10.567  159.843   10.276 -9.994339 14.73938 
1 1 1   -8    8   19 o  193.510   8.5269 15329.02  1339.78 14954.45  1885.00 15711.42  1904.63  189.914   12.290  194.739   12.105 -4.825027 17.25057 
1 1 1   -8    8   20 o  144.404   7.8403  8572.57  915.841  8866.55  1244.81  8225.66  1352.24  146.137   10.562  140.277   11.987 5.859467 15.97639 
1 1 1   -8    8   21 o   92.480   8.6016  3553.87  638.498  3157.46  820.055  4164.14  1017.50   86.156   12.052   98.819   12.996 -12.66360 17.72472 
1 1 1   -8    8   22 o   29.980   11.813  229.393  423.006  289.280  471.105 -19.7758  960.950   32.181   12.529   38.313   16.635 -6.132324 20.82539 
1 1 1   -8    8   23 o  147.172   8.8065  9057.40  1047.53  9502.95  1414.82  8516.81  1558.43  149.076   11.784  139.702   13.924 9.373962 18.24166 
1 1 1   -8    8   24 o   25.256   11.336 -169.8005  483.044 -845.3295  549.721  2119.17  1011.91   21.233   10.291   66.116   18.251 -44.88299 20.95206 
1 1 1   -8    8   25 f   36.812   12.986  570.749  483.240  322.684  531.386  1756.57  1161.82   32.909   13.153   58.016   20.157 -25.10698 24.06896 
1 1 1   -8    8   26 o   54.880   13.904  1490.75  620.303  1490.75  620.303   0.0000   0.0000   54.880   13.904  ?   ?  0.000000 13.90398 
1 1 1   -8   10    1 o  106.671   7.1318  4642.15  614.149  4762.43  1056.15  4580.69  754.902  107.540   12.317  105.816   8.8680 1.724556 15.17763 
1 1 1   -8   10    2 o  1037.62   73.419 457860.31 61457.54 457860.31 61457.54   0.0000   0.0000  1037.62   73.419  ?   ?  0.000000 73.41936 
1 1 1   -8   10    3 o  549.882   26.811 123420.30 11970.75 122367.90 16955.35 124466.20 16903.15  544.649   38.590  549.425   38.126 -4.776489 54.24701 
1 1 1   -8   10    4 f  1329.56   95.591 766807.38 102507.00 766807.38 102507.00   0.0000   0.0000  1329.56   95.591  ?   ?  0.000000 95.59095 
1 1 1   -8   10    5 o  417.299   20.700 70896.16  7013.80 69321.77  9966.06 72441.16  9872.62  410.921   30.078  420.258   29.111 -9.337372 41.85907 
1 1 1   -8   10    6 o  1000.77   47.983 412396.69 38990.27 421302.81 55182.33 403517.50 55098.90  1002.24   68.215  980.091   69.691 22.15454 97.51992 
1 1 1   -8   10    7 o  897.982   35.957 330057.91 26217.29 335524.09 45510.74 327343.00 32073.95  895.856   62.966  892.413   44.264 3.443115 76.96749 
1 1 1   -8   10    8 o  761.021   29.683 236645.20 18341.75 254565.00 31865.27 227766.20 22430.10  783.069   50.384  745.271   37.066 37.79852 62.54943 
1 1 1   -8   10    9 o  355.376   14.286 51377.75  4122.18 59291.80  7231.17 47567.88  5017.23  380.384   23.528  341.250   18.173 39.13354 29.72904 
1 1 1   -8   10   10 o  180.725   8.5045 13274.34  1247.98 17169.41  2275.62 11599.01  1492.42  204.900   13.758  168.521   10.967 36.37946 17.59378 
1 1 1   -8   10   11 o  141.516   9.7582  8184.83  1114.42  7391.67  1632.86  8876.44  1524.75  133.754   15.311  147.058   12.900 -13.30370 20.02063 
1 1 1   -8   10   12 o  108.374   6.0664  4787.38  531.675  4852.71  725.836  4711.73  780.996  108.929   8.2682  107.246   9.0534 1.683449 12.26074 
1 1 1   -8   10   13 o  223.469   8.3876 20313.21  1521.92 19969.33  2146.72 20660.71  2157.98  221.023   12.007  224.846   11.862 -3.822708 16.87825 
1 1 1   -8   10   14 o   79.166   6.4192  2564.53  409.077  3257.84  543.817  1660.89  620.850   89.177   7.5823   62.690   12.633 26.48689 14.73418 
1 1 1   -8   10   15 o   74.425   6.8001  2271.51  406.400  2748.00  527.113  1573.14  638.144   81.780   8.0422   60.876   13.284 20.90353 15.52836 
1 1 1   -8   10   16 o  285.758   10.277 33313.15  2384.48 31088.50  3363.85 35559.93  3380.53  274.871   15.130  294.601   14.132 -19.72977 20.70373 
1 1 1   -8   10   17 o  201.935   8.0776 16619.71  1324.43 15599.70  1847.56 17697.96  1899.58  194.876   11.731  207.694   11.307 -12.81836 16.29276 
1 1 1   -8   10   18 o  191.725   8.4863 15018.61  1321.10 14815.30  1827.29 15241.26  1912.24  189.476   11.938  192.088   12.325 -2.612610 17.15919 
1 1 1   -8   10   19 o  101.650   7.6614  4250.42  627.697  3985.14  814.051  4639.43  985.797   97.860   10.405  105.346   11.724 -7.486382 15.67471 
1 1 1   -8   10   20 o  101.967   7.9221  4291.77  650.748  4362.56  837.313  4183.80  1034.13  102.259   10.221   99.255   13.156 3.004677 16.65989 
1 1 1   -8   10   21 o   27.513   11.011  163.284  373.010  142.890  420.929  237.868  804.968   28.438   11.583   38.361   15.864 -9.922112 19.64297 
1 1 1   -8   10   22 o   45.484   11.481  904.256  424.068  987.420  470.223  541.919  981.500   47.439   12.153   44.549   17.850 2.890011 21.59485 
1 1 1   -8   10   23 o  195.539   9.3541 16029.83  1485.16 15704.48  2056.99 16384.12  2146.54  190.020   13.418  193.804   13.730 -3.784393 19.19771 
1 1 1   -8   10   24 o   68.169   10.851  2038.50  580.458  2227.56  625.341  861.464  1560.31   71.159   11.193   51.826   21.806 19.33205 24.51114 
1 1 1   -8   10   25 o   42.711   12.509  846.531  461.646  859.084  495.847  764.835  1264.94   42.949   13.059   46.451   19.594 -3.502052 23.54702 
1 1 1   -8   10   26 o   79.025   12.119  2951.49  752.834  2951.49  752.834   0.0000   0.0000   79.025   12.119  ?   ?  0.000000 12.11940 
1 1 1   -8   12    1 o  462.925   18.744 87204.79  7045.67 83616.51 12206.04 88997.79  8628.24  450.927   33.578  467.404   22.735 -16.47748 40.55053 
1 1 1   -8   12    2 o  981.389   47.372 396750.00 37748.41 392008.91 53408.47 401482.50 53360.18  965.702   68.558  977.803   67.624 -12.10077 96.29802 
1 1 1   -8   12    3 o  495.468   24.168 100032.20  9722.86 109952.00 13785.84 90214.28 13714.83  517.608   32.973  468.063   36.372 49.54538 49.09365 
1 1 1   -8   12    4 o  523.424   25.919 111685.20 11015.65 99462.70 15621.89 123772.90 15535.44  491.086   39.512  549.004   35.033 -57.91827 52.80648 
1 1 1   -8   12    5 o  759.070   36.520 235829.00 22508.68 238647.50 31886.14 233029.50 31778.31  758.737   52.073  749.575   52.545 9.162170 73.97656 
1 1 1   -8   12    6 o  470.800   33.057 91061.80 12556.59   0.0000   0.0000 91061.80 12556.59  ?   ?   470.800   33.057 0.000000 33.05667 
1 1 1   -8   12    7 o  324.069   11.807 42681.89  3106.85 63996.80  5526.50 32832.91  3756.68  396.588   17.162  283.621   16.382 112.9670 23.72606 
1 1 1   -8   12    8 o  172.710   8.2328 12118.37  1154.54 14322.75  2136.85 11209.57  1372.04  187.104   14.171  165.761   10.244 21.34308 17.48566 
1 1 1   -8   12    9 o  804.235   32.712 266639.91 21361.31 273270.50 37135.13 263361.00 26114.38  799.764   57.570  795.065   40.587 4.698853 70.43908 
1 1 1   -8   12   10 o  164.079   9.9436 10990.95  1318.50 13266.99  2016.09  9289.98  1742.89  179.902   13.910  150.279   14.462 29.62302 20.06576 
1 1 1   -8   12   11 o  152.789   8.0150  9517.44  990.875 11330.76  1879.69  8819.63  1166.05  166.099   14.070  146.902   9.8326 19.19760 17.16482 
1 1 1   -8   12   12 o  273.472   11.726 30471.05  2603.70 32046.88  4647.32 29750.12  3143.36  278.665   20.687  269.594   14.412 9.071503 25.21196 
1 1 1   -8   12   13 o  376.653   15.676 58023.66  4794.10 55574.30  8453.96 59184.70  5820.48  364.389   28.808  379.773   18.875 -15.38397 34.44101 
1 1 1   -8   12   14 o  478.038   16.005 93621.70  6212.29 92327.20  8793.28 94911.63  8777.74  472.483   22.921  479.188   22.560 -6.704620 32.16066 
1 1 1   -8   12   15 o  169.351   7.6351 11672.27  1049.89 12865.30  1474.56 10445.62  1495.19  177.324   10.286  159.532   11.623 17.79227 15.52030 
1 1 1   -8   12   16 o  237.130   9.8648 22944.13  1899.38 23997.27  2681.40 21883.52  2690.89  241.564   13.727  230.483   14.452 11.08127 19.93226 
1 1 1   -8   12   17 f  166.716   7.8779 11333.99  1066.41 12958.02  1498.51  9667.51  1517.96  177.666   10.433  153.006   12.323 24.65956 16.14644 
1 1 1   -8   12   18 o   92.400   7.3770  3508.23  548.849  2660.65  718.237  4697.81  850.895   79.620   11.438  106.557   9.9497 -26.93707 15.16011 
1 1 1   -8   12   19 o  237.288   9.9619 23197.21  1919.36 23317.16  2704.25 23075.46  2724.65  235.753   14.193  234.422   14.384 1.331146 20.20757 
1 1 1   -8   12   20 o   65.516   8.3128  1792.74  432.265  1866.89  513.611  1612.66  800.385   66.530   9.8015   60.467   16.039 6.062321 18.79669 
1 1 1   -8   12   21 o   56.230   9.8940  1350.27  435.239  1100.14  498.573  2151.45  892.293   50.169   12.327   69.351   16.147 -19.18175 20.31520 
1 1 1   -8   12   22 o   99.149   8.6517  4113.51  689.534  4871.51  835.879  2499.11  1219.88  107.575   9.6730   72.702   20.026 34.87320 22.24006 
1 1 1   -8   12   23 o  103.270   8.8738  4499.98  736.861  4089.02  867.352  5565.92  1396.88   97.340   11.177  110.592   16.023 -13.25177 19.53572 
1 1 1   -8   12   24 o   46.566   11.740  983.553  443.793  927.723  475.242  1363.99  1240.58   45.079   12.531   54.053   20.514 -8.973713 24.03826 
1 1 1   -8   12   25 o   30.943   11.566  364.222  391.116  264.565  410.787  1330.63  1279.21   29.289   11.609   51.223   20.429 -21.93482 23.49703 
1 1 1   -8   14    1 o  553.323   22.170 124662.30  9960.75 118754.00 17266.96 127609.10 12194.28  536.864   39.896  559.445   26.845 -22.58008 48.08662 
1 1 1   -8   14    2 o  898.709   35.233 330348.81 25710.26 309595.81 44516.93 340735.50 31493.65  860.469   64.178  911.180   42.568 -50.71088 77.01196 
1 1 1   -8   14    3 o  759.482   36.568 236103.80 22550.81 245913.59 31938.47 226351.20 31845.06  770.428   51.350  738.383   53.478 32.04462 74.13963 
1 1 1   -8   14    4 o  401.781   28.877 66226.16  9357.95   0.0000   0.0000 66226.16  9357.95  ?   ?   401.781   28.877 0.000000 28.87745 
1 1 1   -8   14    5 o  527.323   25.508 113420.30 10921.55 124485.90 15509.87 102536.80 15381.74  550.256   34.895  498.511   38.293 51.74493 51.80752 
1 1 1   -8   14    6 o  656.544   30.980 176450.91 16515.05 205149.00 23430.88 148117.59 23281.46  704.569   41.136  596.128   48.520 108.4410 63.61041 
1 1 1   -8   14    7 o  567.488   27.284 131859.59 12571.80 143587.41 17863.68 120351.10 17695.94  588.828   37.559  537.893   40.822 50.93469 55.47147 
1 1 1   -8   14    8 o  372.565   13.965 56521.77  4224.51 74719.73  7504.96 48081.36  5111.15  426.916   21.722  342.755   18.433 84.16150 28.48906 
1 1 1   -8   14    9 o  307.185   13.587 38448.95  3388.96 33188.59  6067.29 40834.37  4085.72  282.725   26.748  315.954   15.978 -33.22897 31.15646 
1 1 1   -8   14   10 o  328.810   13.184 44065.85  3519.80 50407.20  6292.08 41177.64  4246.36  349.724   22.274  317.071   16.551 32.65250 27.75022 
1 1 1   -8   14   11 o  371.925   16.137 56531.50  4873.35 45590.87  8625.67 61661.23  5906.35  329.165   32.706  387.986   18.748 -58.82077 37.69880 
1 1 1   -8   14   12 o  328.440   13.945 44043.37  3719.01 41942.59  6636.17 45005.25  4490.40  317.308   25.985  331.180   16.753 -13.87177 30.91751 
1 1 1   -8   14   13 o  312.708   13.225 39935.71  3357.99 41971.07  6041.93 39026.01  4039.30  317.713   23.589  308.258   16.195 9.454834 28.61337 
1 1 1   -8   14   14 o  328.112   14.066 44052.77  3747.53 42978.03  6735.39 44534.67  4510.11  320.043   26.147  328.900   16.946 -8.856598 31.15829 
1 1 1   -8   14   15 o  174.027   9.3782 12382.34  1320.29 10897.76  2548.97 12926.69  1543.47  161.174   19.900  177.629   10.752 -16.45549 22.61902 
1 1 1   -8   14   16 o  233.318   11.035 22268.09  2090.49 22490.50  3901.43 22178.52  2475.91  231.344   20.998  232.113   13.192 -0.7688599 24.79811 
1 1 1   -8   14   17 o  313.910   14.007 40718.46  3570.17 41297.68  6510.83 40469.44  4269.24  308.531   26.239  311.260   16.956 -2.728760 31.24070 
1 1 1   -8   14   18 o  153.303   10.110  9708.26  1251.44  9252.02  2836.47  9818.54  1394.51  143.498   25.267  153.866   11.240 -10.36768 27.65416 
1 1 1   -8   14   19 o   74.325   7.5235  2286.74  447.786  2529.33  536.671  1730.86  812.391   77.984   8.6196   62.774   15.916 15.21014 18.10034 
1 1 1   -8   14   20 o   19.893   9.0143 -173.1353  313.961 -435.8883  339.779  1361.38  821.123   17.823   8.4931   55.770   16.771 -37.94675 18.79883 
1 1 1   -8   14   21 o   43.736   11.342  833.398  406.154  1249.28  446.234 -1174.6960  980.548   53.786   10.595   30.081   14.360 23.70543 17.84545 
1 1 1   -8   14   22 o  104.565   8.6081  4583.14  724.366  4942.97  874.968  3799.28  1291.41  107.997   10.095   90.387   18.226 17.61039 20.83460 
1 1 1   -8   14   23 o   72.702   9.1877  2261.46  530.256  2509.41  582.826  1070.02  1277.60   76.464   9.5989   52.024   20.520 24.43999 22.65443 
1 1 1   -8   14   24 o   56.563   10.875  1436.13  481.340  1211.52  514.250  3024.34  1367.48   51.160   12.489   74.107   21.479 -22.94732 24.84620 
1 1 1   -8   14   25 o   32.172   11.565  434.769  385.013  434.769  385.013   0.0000   0.0000   32.172   11.565  ?   ?  0.000000 11.56527 
1 1 1   -8   16    1 o  449.758   22.917 82645.63  8341.45   0.0000   0.0000 82645.63  8341.45  ?   ?   449.758   22.917 0.000000 22.91748 
1 1 1   -8   16    2 o  145.781   10.995  8684.87  1291.91   0.0000   0.0000  8684.87  1291.91  ?   ?   145.781   10.995 0.000000 10.99511 
1 1 1   -8   16    3 o  470.680   23.303 90341.41  8905.73 98528.56 12650.65 82297.77 12539.30  489.569   32.000  446.705   34.847 42.86386 47.31099 
1 1 1   -8   16    4 o  1215.76   59.437 620073.31 58674.05 629098.31 83051.88 611080.38 82903.58  1201.47   85.695  1182.91   86.923 18.55908 122.0624 
1 1 1   -8   16    5 o  1015.52   49.176 430282.50 40549.09 453083.59 57429.07 407614.19 57261.44  1026.60   69.302  970.403   73.212 56.19427 100.8102 
1 1 1   -8   16    6 o  220.044   12.848 19770.48  2285.47 20512.01  3334.01 19113.12  3139.06  223.471   18.542  215.725   18.088 7.745956 25.90301 
1 1 1   -8   16    7 o  500.476   24.273 102746.20  9863.82 115421.70 14052.28 90434.84 13849.02  527.187   32.994  465.029   36.983 62.15826 49.56171 
1 1 1   -8   16    8 o  316.096   14.077 40731.82  3613.04 37068.48  6501.43 42368.72  4345.92  298.723   27.099  321.692   16.695 -22.96811 31.82918 
1 1 1   -8   16    9 o  225.796   9.9706 20745.83  1827.99 23469.15  3427.10 19662.92  2161.09  238.918   17.794  219.365   12.181 19.55301 21.56351 
1 1 1   -8   16   10 o  508.941   19.708 106206.10  8144.28 114583.80 14361.27 102234.60  9888.05  522.542   34.034  498.010   24.453 24.53137 41.90764 
1 1 1   -8   16   11 o  336.620   14.817 46297.08  4049.87 40815.75  7277.44 48756.12  4874.37  312.014   29.060  344.586   17.479 -32.57150 33.91108 
1 1 1   -8   16   12 o  245.441   11.035 24556.50  2199.14 24949.96  4105.52 24398.18  2604.27  245.290   20.810  244.086   13.189 1.203186 24.63743 
1 1 1   -8   16   13 o  281.953   12.260 32463.13  2806.75 32990.80  5139.51 32238.88  3350.49  281.408   22.686  280.230   14.777 1.177216 27.07415 
1 1 1   -8   16   14 o  201.400   10.293 16589.85  1677.66 14662.16  3242.42 17294.59  1960.49  186.847   21.781  205.410   11.804 -18.56322 24.77374 
1 1 1   -8   16   15 o  246.239   11.240 24794.99  2247.24 26838.00  4226.22 23989.63  2653.46  253.216   20.737  241.435   13.591 11.78127 24.79383 
1 1 1   -8   16   16 o   21.624   9.8671 -252.1622  384.473 -124.3704  1313.07 -264.1458  402.095   44.968   19.484   22.105   10.088 22.86305 21.94116 
1 1 1   -8   16   17 o  300.476   13.230 37400.54  3227.79 44629.39  6060.69 34538.31  3813.64  320.780   23.431  286.770   16.447 34.01050 28.62717 
1 1 1   -8   16   18 o  185.281   10.636 14224.30  1593.34 16095.67  3358.09 13680.59  1810.07  191.103   22.046  181.044   12.388 10.05861 25.28787 
1 1 1   -8   16   19 o  148.302   10.966  9184.83  1311.11 12305.43  3241.60  8574.47  1433.61  162.984   25.316  142.670   12.502 20.31435 28.23484 
1 1 1   -8   16   20 o   41.602   16.723  424.757  864.440  2215.73  2122.68   68.681  946.480   71.796   26.924   39.018   16.720 32.77887 31.69376 
1 1 1   -8   16   21 o   80.029   16.228  2894.27  1018.45 -390.5173  3106.17  3289.94  1078.05   60.837   27.868   85.510   16.118 -24.67264 32.19322 
1 1 1   -8   16   22 o   29.930   14.117 -823.2576  893.423  3176.96  3192.90 -1163.0690  930.597   76.638   31.636   28.673   13.769 47.96472 34.50271 
1 1 1   -8   16   23 o   52.574   21.868  1028.67  1542.34   0.0000   0.0000  1028.67  1542.34  ?   ?    52.574   21.868 0.000000 21.86820 
1 1 1   -8   16   24 f   34.811   16.851 -1425.8610  1462.78   0.0000   0.0000 -1425.8610  1462.78  ?   ?    34.811   16.851 0.000000 16.85081 
1 1 1   -8   18    1 o  590.711   23.983 142677.00 11503.30 143288.30 19996.99 142374.70 14063.11  586.182   42.298  589.034   29.404 -2.851929 51.51421 
1 1 1   -8   18    2 o  438.942   18.440 78569.41  6572.00 78969.30 11423.18 78371.55  8034.94  436.883   32.433  437.312   22.706 -0.4290771 39.59185 
1 1 1   -8   18    3 o  660.443   26.761 178898.80 14350.74 188742.41 24853.40 173975.30 17576.99  670.357   45.938  648.611   33.489 21.74561 56.84892 
1 1 1   -8   18    4 o  1075.01   53.066 490423.00 46319.91 514010.59 65593.23 466960.00 65419.63  1074.90   75.636  1019.53   79.659 55.36713 109.8471 
1 1 1   -8   18    5 o  326.915   17.553 43757.36  4642.33 43850.22  6671.21 43670.16  6464.17  325.771   25.422  325.263   24.659 0.5078430 35.41680 
1 1 1   -8   18    6 o  389.589   19.912 62277.39  6277.83 67480.30  9002.49 57352.23  8758.89  403.655   27.633  371.524   29.272 32.13058 40.25508 
1 1 1   -8   18    7 o  328.330   25.655 44658.80  6785.10 44658.80  6785.10   0.0000   0.0000  328.330   25.655  ?   ?  0.000000 25.65501 
1 1 1   -8   18    8 o  758.710   37.613 241664.09 23171.47 244490.80 32909.29 238885.00 32631.29  748.110   54.553  739.259   54.752 8.850830 77.29024 
1 1 1   -8   18    9 o  784.433   32.970 257042.59 20999.98 246241.80 36680.31 262309.00 25613.01  740.561   61.558  786.133   40.261 -45.57196 73.55544 
1 1 1   -8   18   10 o  209.771   9.1672 17909.63  1561.42 24593.70  3059.78 15556.13  1815.62  244.774   15.475  195.025   11.517 49.74904 19.29003 
1 1 1   -8   18   11 o  250.077   10.308 25480.97  2093.02 31675.61  3995.95 23138.93  2457.03  277.276   17.844  237.741   12.775 39.53474 21.94530 
1 1 1   -8   18   12 o  460.151   18.271 87078.82  6826.53 92044.70 12191.27 84810.59  8239.38  465.721   32.442  452.654   22.418 13.06662 39.43377 
1 1 1   -8   18   13 o  377.373   15.916 58478.46  4876.95 57096.31  8827.21 59085.71  5851.03  366.603   29.915  377.919   19.130 -11.31628 35.50874 
1 1 1   -8   18   14 o   33.034   11.714  385.820  393.706  2676.01  1320.93  162.537  412.452   78.815   20.461   28.880   11.572 49.93428 23.50674 
1 1 1   -8   18   15 o   57.850   11.357  1418.63  514.414  639.017  1516.17  1520.05  546.851   54.947   22.126   59.878   11.667 -4.930347 25.01377 
1 1 1   -8   18   16 o  322.680   14.187 43195.58  3717.02 48489.68  7007.14 41122.55  4384.78  332.668   26.152  312.769   17.334 19.89856 31.37491 
1 1 1   -8   18   17 o   60.470   13.990  1584.81  673.264  549.402  1809.57  1751.17  725.336   56.896   23.678   63.530   14.394 -6.633865 27.71033 
1 1 1   -8   18   18 o  207.659   11.556 17983.35  1940.70 16777.64  4162.42 18318.25  2193.73  189.127   27.947  208.863   13.000 -19.73602 30.82274 
1 1 1   -8   18   19 o   92.037   12.480  3617.58  908.554  2401.68  2310.57  3839.96  988.153   74.773   28.081   94.592   13.227 -19.81850 31.04042 
1 1 1   -8   18   20 o  158.621   11.695 10662.36  1495.59 10802.22  3388.46 10628.52  1666.73  144.485   29.870  157.504   13.153 -13.01938 32.63755 
1 1 1   -8   18   21 o   27.394   13.081 -966.2115  814.781 -1833.7300  2938.16 -893.9412  848.041   52.865   25.131   28.607   13.570 24.25813 28.56051 
1 1 1   -8   18   22 o   41.648   17.087  470.645  924.259   0.0000   0.0000  470.645  924.259  ?   ?    41.648   17.087 0.000000 17.08695 
1 1 1   -8   18   23 o   37.286   17.193 -382.5155  1209.49   0.0000   0.0000 -382.5155  1209.49  ?   ?    37.286   17.193 0.000000 17.19317 
1 1 1   -8   18   24 o   51.397   21.321  1445.58  1460.51   0.0000   0.0000  1445.58  1460.51  ?   ?    51.397   21.321 0.000000 21.32125 
1 1 1   -8   20    1 o  203.125   18.910 17009.77  3083.03   0.0000   0.0000 17009.77  3083.03  ?   ?   203.125   18.910 0.000000 18.91010 
1 1 1   -8   20    2 o  364.587   19.526 54525.88  5759.37 56282.59  8260.50 52864.10  8034.18  368.510   27.812  357.048   27.935 11.46176 39.41925 
1 1 1   -8   20    3 f  172.997   12.463 12251.69  1738.86 11256.20  2580.97 13079.13  2353.04  164.711   19.689  178.248   16.443 -13.53690 25.65207 
1 1 1   -8   20    4 o  199.588   13.085 16300.76  2108.85 16354.73  3113.45 16255.01  2866.56  198.966   19.523  198.615   17.970 0.3514709 26.53432 
1 1 1   -8   20    5 o  353.089   19.011 51171.40  5430.31 51015.10  7812.18 51317.53  7553.60  350.431   27.681  351.767   26.644 -1.335907 38.42041 
1 1 1   -8   20    6 o  319.857   25.873 42465.51  6662.06 42465.51  6662.06   0.0000   0.0000  319.857   25.873  ?   ?  0.000000 25.87323 
1 1 1   -8   20    7 o  220.077   14.063 19843.52  2499.83 16530.96  3713.89 22587.56  3380.20  199.062   23.426  234.232   17.909 -35.16997 29.48694 
1 1 1   -8   20    8 o  537.871   27.384 120248.10 11920.16 119620.30 17034.20 120850.50 16686.48  529.645   39.903  533.052   38.820 -3.406799 55.67022 
1 1 1   -8   20    9 o  231.327   14.435 21951.11  2697.85 19141.14  3990.80 24316.02  3661.15  214.103   23.334  242.695   18.724 -28.59277 29.91732 
1 1 1   -8   20   10 o   85.031   7.6627  2965.27  523.368  1811.23  1431.01  3143.48  562.326   67.728   22.382   87.532   8.0004 -19.80388 23.76886 
1 1 1   -8   20   11 o   82.656   8.0013  2806.68  530.280  5196.48  1329.73  2354.76  578.250  111.651   15.051   75.407   9.6667 36.24329 17.88818 
1 1 1   -8   20   12 o  143.351   8.8200  8404.11  1021.63  6513.74  2334.34  8851.97  1136.22  123.003   24.235  147.042   9.5687 -24.03860 26.05534 
1 1 1   -8   20   13 o   75.482   8.7473  2353.95  526.178  4013.98  1582.79  2147.69  557.909   96.483   20.815   71.882   9.8154 24.60139 23.01317 
1 1 1   -8   20   14 o   45.653   11.306  887.992  416.895  332.566  1458.86  937.384  435.037   51.304   21.298   46.893   11.511 4.411041 24.20963 
1 1 1   -8   20   15 o   96.070   9.9917  3826.30  768.009  588.148  2516.57  4158.86  806.482   65.857   27.701  100.189   10.049 -34.33173 29.46750 
1 1 1   -8   20   16 o   30.277   12.711   67.764  528.208  665.174  2299.74   34.493  542.717   63.302   26.546   30.188   12.790 33.11430 29.46625 
1 1 1   -8   20   17 o   71.408   12.265  2179.58  685.528 -25.4286  2607.88  2343.26  710.515   61.435   27.021   74.109   12.235 -12.67391 29.66223 
1 1 1   -8   20   18 o   73.415   15.066  2369.09  867.973  1358.54  2788.35  2477.52  913.352   70.162   29.312   74.966   15.516 -4.804016 33.16552 
1 1 1   -8   20   19 o   91.528   13.060  3616.34  943.047  3947.69  2692.24  3570.00  1006.84   87.730   30.673   90.470   14.171 -2.739761 33.78868 
1 1 1   -8   20   20 o   24.171   11.808 -1335.5601  764.517 -3176.3391  2368.83 -1121.5270  807.742   43.067   20.983   26.366   12.703 16.70045 24.52891 
1 1 1   -8   20   21 o   92.672   15.871  3941.02  1151.32 10120.49  3831.18  3327.57  1207.11  122.506   36.081   83.422   18.322 39.08423 40.46612 
1 1 1   -8   20   22 o   54.337   22.801  1187.61  1698.34   0.0000   0.0000  1187.61  1698.34  ?   ?    54.337   22.801 0.000000 22.80061 
1 1 1   -8   20   23 o   54.053   23.053  1521.38  1783.64   0.0000   0.0000  1521.38  1783.64  ?   ?    54.053   23.053 0.000000 23.05278 
1 1 1   -8   22    1 o  556.606   28.311 128444.20 12753.00   0.0000   0.0000 128444.20 12753.00  ?   ?   556.606   28.311 0.000000 28.31138 
1 1 1   -8   22    2 o  138.061   10.596  7804.39  1178.78  7287.56  2098.12  8042.77  1424.93  131.856   20.244  139.915   12.681 -8.058319 23.88755 
1 1 1   -8   22    3 o  321.833   18.862 42559.27  4907.35 43259.29  6865.83 41828.17  7016.70  322.643   26.440  316.914   27.542 5.729523 38.17900 
1 1 1   -8   22    4 o  281.654   17.575 32584.09  3999.31 31035.15  5489.89 34335.64  5837.91  273.212   25.025  287.419   25.272 -14.20670 35.56589 
1 1 1   -8   22    5 o  140.172   12.479  8073.13  1405.42  8283.84  2157.67  7917.85  1852.24  140.851   19.380  138.120   16.866 2.731628 25.69124 
1 1 1   -8   22    6 o  323.151   18.113 42928.61  4733.43 43282.30  6898.93 42614.02  6506.46  322.194   26.609  320.103   25.238 2.091400 36.67418 
1 1 1   -8   22    7 o  711.299   36.169 214314.09 20820.87 216021.20 29686.98 212661.50 29209.14  698.116   52.762  693.165   52.282 4.951355 74.27785 
1 1 1   -8   22    8 o  304.215   16.799 38048.75  4133.45 43975.24  6101.10 33020.65  5619.68  325.326   23.250  281.192   24.870 44.13336 34.04510 
1 1 1   -8   22    9 o  275.280   16.063 31169.53  3574.74 33063.29  5319.05 29609.60  4827.52  281.523   23.484  266.609   22.511 14.91382 32.53017 
1 1 1   -8   22   10 o  299.005   12.416 36534.81  3014.38 41940.71  5775.44 34510.81  3533.91  317.241   22.568  289.777   15.071 27.46378 27.13809 
1 1 1   -8   22   11 o  228.984   10.362 21400.45  1926.52 23985.36  3953.88 20595.72  2206.12  239.757   20.508  224.090   12.170 15.66670 23.84693 
1 1 1   -8   22   12 o  137.775   9.1003  7778.80  1012.31  5409.52  2466.03  8258.96  1110.15  110.781   27.535  141.896   9.6935 -31.11494 29.19136 
1 1 1   -8   22   13 o   38.808   11.411  628.128  383.499 -1466.1440  1535.16  767.521  396.056   40.111   18.788   42.512   11.285 -2.401367 21.91677 
1 1 1   -8   22   14 f  117.424   9.7158  5693.37  918.021  4973.29  2936.16  5771.39  966.475  103.977   31.811  118.137   10.175 -14.15963 33.39896 
1 1 1   -8   22   15 o   84.084   10.881  2964.06  725.460  1499.36  2398.35  3111.57  761.114   70.326   27.996   86.118   11.146 -15.79145 30.13311 
1 1 1   -8   22   16 o  210.560   11.734 18480.56  1998.11 18030.33  4496.89 18591.31  2230.37  195.612   29.207  210.517   13.113 -14.90489 32.01603 
1 1 1   -8   22   17 o  153.241   11.113  9829.07  1373.32  9211.81  3545.81  9938.00  1489.59  133.956   32.851  153.698   12.032 -19.74252 34.98481 
1 1 1   -8   22   18 o   47.879   15.639  970.215  699.451  3426.58  3331.22  856.927  715.399   84.685   33.220   45.974   15.826 38.71077 36.79762 
1 1 1   -8   22   19 o   29.174   13.437 -475.3055  735.734  4689.34  3544.20 -707.8873  752.118   90.266   34.573   27.754   13.048 62.51193 36.95328 
1 1 1   -8   22   20 o   90.946   15.470  3758.01  1101.47  8220.06  3655.45  3312.42  1155.16  110.965   35.715   84.054   17.495 26.91070 39.76954 
1 1 1   -8   22   21 o   48.611   17.840  1041.18  922.732   0.0000   0.0000  1041.18  922.732  ?   ?    48.611   17.840 0.000000 17.84043 
1 1 1   -8   22   22 o   85.509   27.432  4993.46  2157.91   0.0000   0.0000  4993.46  2157.91  ?   ?    85.509   27.432 0.000000 27.43220 
1 1 1   -8   24    1 o  298.598   17.894 36657.23  4318.45   0.0000   0.0000 36657.23  4318.45  ?   ?   298.598   17.894 0.000000 17.89408 
1 1 1   -8   24    2 o  391.212   17.442 62687.21  5540.45 59551.27  9794.34 64162.88  6718.74  376.005   32.397  394.458   21.053 -18.45328 38.63682 
1 1 1   -8   24    3 o  396.857   17.664 64542.33  5691.82 62191.80 10002.34 65667.97  6921.79  384.134   32.370  398.869   21.451 -14.73535 38.83280 
1 1 1   -8   24    4 o  547.146   22.879 123543.80 10164.35 114238.40 17699.11 128123.00 12415.91  514.373   42.765  555.173   27.543 -40.80005 50.86727 
1 1 1   -8   24    5 o  545.536   28.471 124393.80 12567.79 124192.40 18030.23 124584.00 17527.49  536.413   41.725  538.251   40.400 -1.837830 58.07825 
1 1 1   -8   24    6 o  282.727   17.240 32913.04  3938.73 31950.75  5842.81 33714.59  5332.50  275.969   26.397  284.547   23.284 -8.578705 35.19870 
1 1 1   -8   24    7 o  176.607   14.282 12843.25  2030.47 10393.91  3184.86 14520.53  2635.54  156.044   26.055  187.223   17.541 -31.17870 31.40971 
1 1 1   -8   24    8 o  296.051   18.030 36197.42  4313.40 32916.82  6450.88 38850.23  5800.89  278.535   28.946  304.936   23.613 -26.40094 37.35556 
1 1 1   -8   24    9 o   83.362   16.133  2950.50  1052.55  2097.70  1882.24  3338.50  1269.60   74.078   25.661   88.408   18.290 -14.32978 31.51222 
1 1 1   -8   24   10 o  380.101   14.945 59391.23  4612.49 63812.77  8718.19 57672.52  5435.53  387.200   27.917  373.549   17.921 13.65118 33.17434 
1 1 1   -8   24   11 o  141.139   9.6725  8178.00  1101.78  4774.65  2783.57  8810.26  1199.77  103.905   30.795  146.438   10.153 -42.53288 32.42592 
1 1 1   -8   24   12 o  150.898   9.1278  9348.89  1113.12 10682.42  2817.24  9102.19  1211.71  157.110   22.746  148.700   10.096 8.409927 24.88572 
1 1 1   -8   24   13 o   35.129   12.321  453.238  434.544  991.775  2568.30  437.367  440.901   68.746   28.376   34.894   12.394 33.85190 30.96442 
1 1 1   -8   24   14 f  120.073   9.6221  5968.91  930.224  4920.60  3323.80  6058.00  968.945  101.733   34.125  120.888   9.9600 -19.15475 35.54920 
1 1 1   -8   24   15 o   95.102   10.256  3780.69  779.418  2957.98  3334.29  3828.25  801.628   85.320   33.301   95.641   10.495 -10.32132 34.91534 
1 1 1   -8   24   16 o   49.565   13.372  1070.40  550.597 -931.7892  3297.05  1127.84  558.438   62.787   28.743   50.831   13.356 11.95686 31.69448 
1 1 1   -8   24   17 o  180.748   11.613 13773.49  1695.33 13954.64  4934.17 13749.24  1805.23  154.745   39.219  180.113   12.420 -25.36842 41.13900 
1 1 1   -8   24   18 o   39.638   15.552  467.327  730.147 -1579.8560  3921.03  540.864  743.145   62.429   29.485   40.911   15.790 21.51810 33.44649 
1 1 1   -8   24   19 o   44.620   18.927  357.002  1190.82 -2536.1680  4325.93  594.213  1238.68   60.065   29.052   47.480   19.661 12.58451 35.07907 
1 1 1   -8   24   20 o   78.384   26.319  3572.67  1977.04   0.0000   0.0000  3572.67  1977.04  ?   ?    78.384   26.319 0.000000 26.31882 
1 1 1   -8   24   21 o   50.113   21.375  950.777  1533.72   0.0000   0.0000  950.777  1533.72  ?   ?    50.113   21.375 0.000000 21.37477 
1 1 1   -8   24   22 o   63.094   25.850  3091.68  2111.74   0.0000   0.0000  3091.68  2111.74  ?   ?    63.094   25.850 0.000000 25.85001 
1 1 1   -8   26    1 o   67.847   23.128  1763.27  1527.01   0.0000   0.0000  1763.27  1527.01  ?   ?    67.847   23.128 0.000000 23.12846 
1 1 1   -8   26    2 o  212.661   15.912 18630.73  2727.64   0.0000   0.0000 18630.73  2727.64  ?   ?   212.661   15.912 0.000000 15.91185 
1 1 1   -8   26    3 o   98.125   17.668  4072.06  1355.95   0.0000   0.0000  4072.06  1355.95  ?   ?    98.125   17.668 0.000000 17.66849 
1 1 1   -8   26    4 o  237.909   16.792 23345.02  3222.95   0.0000   0.0000 23345.02  3222.95  ?   ?   237.909   16.792 0.000000 16.79197 
1 1 1   -8   26    5 o  158.521   13.762 10357.80  1753.76 10650.11  3352.21 10247.65  2057.85  157.519   27.192  157.182   16.364 0.3366241 31.73650 
1 1 1   -8   26    6 o  254.857   17.218 26837.20  3542.06 27020.70  5492.03 26706.52  4634.81  252.503   27.217  252.577   22.847 -0.7341003E-01 35.53547 
1 1 1   -8   26    7 o  274.242   17.319 31108.26  3836.73 33013.03  5879.74 29695.77  5063.26  279.297   26.235  265.782   23.711 13.51511 35.36190 
1 1 1   -8   26    8 o   99.970   16.361  4222.01  1282.12  3541.47  2294.88  4530.82  1545.88   91.133   28.164  102.990   19.192 -11.85681 34.08163 
1 1 1   -8   26    9 o   96.322   16.743  3944.25  1261.94  2353.40  2302.72  4627.11  1508.66   78.963   28.295  104.069   18.533 -25.10663 33.82399 
1 1 1   -8   26   10 o  178.029   15.099 13210.56  2162.02 12136.33  3522.94 13859.57  2738.32  165.943   27.080  181.081   18.903 -15.13812 33.02503 
1 1 1   -8   26   11 o  124.001   8.8097  6325.94  881.232  7275.96  2731.66  6215.59  931.007  126.763   27.343  122.795   9.4092 3.968887 28.91667 
1 1 1   -8   26   12 o  206.974   12.314 17799.17  2060.13 12974.34  4746.52 18919.04  2286.75  162.413   36.840  213.013   13.288 -50.59995 39.16273 
1 1 1   -8   26   13 o  180.955   10.712 13577.57  1566.89 14571.13  4423.91 13435.06  1675.50  173.918   32.523  179.698   11.544 -5.779602 34.51102 
1 1 1   -8   26   14 o  131.569   10.228  7204.62  1084.02  7212.90  4011.94  7203.97  1125.90  116.629   37.403  131.430   10.642 -14.80103 38.88742 
1 1 1   -8   26   15 o  151.138   10.543  9543.04  1285.73  7945.02  4004.69  9726.69  1357.60  119.726   37.239  152.383   11.047 -32.65732 38.84277 
1 1 1   -8   26   16 o   51.329   15.905  1149.60  731.315  2222.92  3892.78  1110.33  744.572   79.317   33.947   50.666   16.099 28.65118 37.57141 
1 1 1   -8   26   17 o   90.486   22.381  3984.46  1635.26  3456.60  4622.09  4059.99  1748.33   84.267   36.535   90.599   23.549 -6.331551 43.46651 
1 1 1   -8   26   18 o  112.081   22.611  6254.56  1986.72  5666.79  5363.78  6348.02  2138.85   88.710   38.892  111.270   24.350 -22.55985 45.88543 
1 1 1   -8   26   19 o   73.093   17.130  2571.77  998.917  1599.41  4628.13  2619.28  1023.03   68.508   32.257   73.611   17.392 -5.103104 36.64707 
1 1 1   -8   26   20 o   59.309   23.393  1925.83  1660.29   0.0000   0.0000  1925.83  1660.29  ?   ?    59.309   23.393 0.000000 23.39297 
1 1 1   -8   26   21 o   57.218   24.664  2168.59  2082.26   0.0000   0.0000  2168.59  2082.26  ?   ?    57.218   24.664 0.000000 24.66436 
1 1 1   -8   28    1 o  414.557   23.714 71831.20  7949.16   0.0000   0.0000 71831.20  7949.16  ?   ?   414.557   23.714 0.000000 23.71400 
1 1 1   -8   28    2 o  173.885   27.890 13015.35  3804.71   0.0000   0.0000 13015.35  3804.71  ?   ?   173.885   27.890 0.000000 27.89040 
1 1 1   -8   28    3 o  221.220   20.353 20442.89  3614.92 18854.67  5214.92 21911.94  5015.45  208.220   31.858  226.428   27.868 -18.20819 42.32712 
1 1 1   -8   28    4 f  177.786   20.778 13295.66  2942.84 17043.94  4094.06  9288.58  4233.04  199.854   25.834  143.559   36.294 56.29504 44.54968 
1 1 1   -8   28    5 o  262.467   32.191 30032.80  6716.46   0.0000   0.0000 30032.80  6716.46  ?   ?   262.467   32.191 0.000000 32.19054 
1 1 1   -8   28    6 o  105.315   36.568  4617.96  3823.37   0.0000   0.0000  4617.96  3823.37  ?   ?   105.315   36.568 0.000000 36.56826 
1 1 1   -8   28    8 o  207.615   21.308 18400.19  3541.13   0.0000   0.0000 18400.19  3541.13  ?   ?   207.615   21.308 0.000000 21.30824 
1 1 1   -8   28    9 o   52.895   20.355  840.216  1232.17   0.0000   0.0000  840.216  1232.17  ?   ?    52.895   20.355 0.000000 20.35494 
1 1 1   -8   28   10 o  122.207   20.593  6539.29  1970.79   0.0000   0.0000  6539.29  1970.79  ?   ?   122.207   20.593 0.000000 20.59331 
1 1 1   -8   28   11 o  187.250   11.886 14589.25  1797.76   0.0000   0.0000 14589.25  1797.76  ?   ?   187.250   11.886 0.000000 11.88575 
1 1 1   -8   28   12 o   51.713   10.851  1147.49  441.095   0.0000   0.0000  1147.49  441.095  ?   ?    51.713   10.851 0.000000 10.85102 
1 1 1   -8   28   13 o  130.631   10.174  7111.72  1070.67  1680.41  3832.72  7571.43  1115.06   79.193   33.784  134.778   10.266 -55.58509 35.30947 
1 1 1   -8   28   14 o  168.398   18.238 12518.24  2453.88  9751.44  4707.37 13550.63  2875.48  128.103   40.456  173.203   20.866 -45.09959 45.51986 
1 1 1   -8   28   15 o   49.035   19.965  622.973  1249.82 -3275.0640  2908.30  1505.92  1384.15   49.431   23.887   60.023   21.877 -10.59208 32.39162 
1 1 1   -8   28   16 o   30.912   13.048   89.473  561.457  4163.34  3987.74   7.0816  567.106   86.165   35.438   29.949   12.891 56.21542 37.70959 
1 1 1   -8   28   17 o   36.151   14.414  363.326  636.686   73.892  4382.30  369.567  643.514   66.867   31.455   36.363   14.493 30.50425 34.63382 
1 1 1   -8   28   18 o   84.688   15.746  3358.43  1042.90  2705.39  5141.15  3386.46  1065.04   71.863   33.886   84.834   16.050 -12.97049 37.49463 
1 1 1   -8   28   19 o   41.691   18.971 -67.5712  1408.78   0.0000   0.0000 -67.5712  1408.78  ?   ?    41.691   18.971 0.000000 18.97065 
1 1 1   -8   28   20 o   37.979   18.349 -1144.9210  1713.88   0.0000   0.0000 -1144.9210  1713.88  ?   ?    37.979   18.349 0.000000 18.34906 
1 1 1   -8   30    1 o  207.531   18.621 18076.88  3104.33   0.0000   0.0000 18076.88  3104.33  ?   ?   207.531   18.621 0.000000 18.62056 
1 1 1   -8   30    2 o  161.449   18.737 11006.11  2410.55   0.0000   0.0000 11006.11  2410.55  ?   ?   161.449   18.737 0.000000 18.73675 
1 1 1   -8   30    3 o  255.857   19.696 27577.90  4060.34   0.0000   0.0000 27577.90  4060.34  ?   ?   255.857   19.696 0.000000 19.69603 
1 1 1   -8   30    4 o  144.470   17.500  8821.33  2010.93 14389.06  4495.82  7428.81  2248.39  178.060   32.285  130.933   21.924 47.12697 39.02520 
1 1 1   -8   30    5 o  229.438   16.626 22057.61  3076.41 19544.91  5882.17 23003.71  3609.42  204.181   36.835  233.122   19.240 -28.94147 41.55759 
1 1 1   -8   30    6 o   57.945   19.898  1322.50  1130.52 -1816.8210  2887.82  1890.69  1228.57   57.417   26.508   66.582   20.612 -9.164749 33.57835 
1 1 1   -8   30    7 o  379.203   19.458 61213.14  5970.83 74155.78 10813.57 55536.46  7161.52  399.828   33.621  355.910   24.939 43.91855 41.86058 
1 1 1   -8   30    8 o   32.864   15.397 -979.3489  1031.88 -452.0667  2350.69 -1105.2040  1148.44   56.994   25.332   34.512   16.192 22.48147 30.06506 
1 1 1   -8   30    9 o  121.489   38.040  7553.22  4171.01  7553.22  4171.01   0.0000   0.0000  121.489   38.040  ?   ?  0.000000 38.03971 
1 1 1   -8   30   10 o   61.108   27.959 -1176.9590  3114.09 -1176.9590  3114.09   0.0000   0.0000   61.108   27.959  ?   ?  0.000000 27.95927 
1 1 1   -8   30   11 o   61.162   28.204 -1355.4430  3255.08 -1355.4430  3255.08   0.0000   0.0000   61.162   28.204  ?   ?  0.000000 28.20358 
1 1 1   -8   30   12 o  112.222   37.569  7012.83  4028.48  7012.83  4028.48   0.0000   0.0000  112.222   37.569  ?   ?  0.000000 37.56947 
1 1 1   -8   30   13 o  106.995   11.345  4849.65  970.603  7321.08  4429.11  4724.97  994.783  110.297   39.271  105.410   11.827 4.886360 41.01310 
1 1 1   -8   30   14 f   55.284   13.425  1357.14  596.600  1946.69  4132.08  1344.59  602.917   77.159   33.974   54.995   13.582 22.16450 36.58823 
1 1 1   -8   30   15 f   31.222   13.101  118.573  560.617   0.0000   0.0000  118.573  560.617  ?   ?    31.222   13.101 0.000000 13.10056 
1 1 1   -8   30   16 o   58.448   16.159  1600.04  792.541   0.0000   0.0000  1600.04  792.541  ?   ?    58.448   16.159 0.000000 16.15916 
1 1 1   -8   30   17 o   52.520   17.240  1317.96  849.551   0.0000   0.0000  1317.96  849.551  ?   ?    52.520   17.240 0.000000 17.24000 
1 1 1   -8   32    1 o  207.864   20.103 18540.79  3350.54   0.0000   0.0000 18540.79  3350.54  ?   ?   207.864   20.103 0.000000 20.10269 
1 1 1   -8   32    2 o  173.378   20.546 12987.64  2836.19   0.0000   0.0000 12987.64  2836.19  ?   ?   173.378   20.546 0.000000 20.54649 
1 1 1   -8   32    3 o  162.092   21.183 11433.11  2721.33   0.0000   0.0000 11433.11  2721.33  ?   ?   162.092   21.183 0.000000 21.18344 
1 1 1   -8   32    4 o   35.075   16.444 -1120.7080  1180.67 -2835.2000  3425.04 -889.5015  1257.76   58.980   27.764   37.988   17.522 20.99189 32.83128 
1 1 1   -8   32    5 o  118.537   20.836  6201.85  1932.24  5485.76  4552.22  6359.22  2134.02  107.490   39.599  119.145   22.891 -11.65542 45.73924 
1 1 1   -8   32    6 o   55.249   21.953  833.773  1472.19 -1670.8190  3774.00  1283.29  1598.85   65.968   30.402   61.126   23.266 4.842632 38.28315 
1 1 1   -8   32    7 o   84.784   24.374  3301.83  1767.34  9694.48  4167.57  1900.13  1951.51  137.258   36.689   69.790   25.886 67.46746 44.90195 
1 1 1   -8   32    8 o  134.960   22.246  8212.97  2352.83 -281.6248  5201.18 10398.47  2638.19   80.167   36.468  152.335   21.964 -72.16761 42.57140 
1 1 1   -8   32    9 o   85.664   24.561  3446.76  1796.82  6613.10  4630.15  2885.38  1949.61  109.849   40.017   79.123   26.124 30.72559 47.78891 
1 1 1   -8   32   10 f  137.835   22.088  8698.35  2388.60  1980.94  5486.20 10269.51  2653.27   86.864   38.650  149.630   22.538 -62.76565 44.74121 
1 1 1   -8   32   11 o  139.108   10.588  8122.87  1186.97 10038.23  5600.94  8032.80  1214.56  122.813   44.115  138.191   10.913 -15.37801 45.44495 
1 1 1   -8   32   12 o  238.172   14.214 24459.63  2736.35 21326.24  8142.60 24858.54  2905.31  158.063   53.410  239.295   15.029 -81.23166 55.48468 
1 1 1   -8   32   13 o  122.221   10.051  6310.61  988.638 12764.66  5877.62  6122.69  1002.93  126.698   45.225  120.224   10.376 6.473801 46.40027 
1 1 1   -8   32   14 o   93.175   10.528  3722.61  782.502  7282.72  4970.43  3632.13  792.383   96.274   39.576   91.885   10.829 4.388786 41.03082 
1 1 1   -8   32   15 o   63.710   13.456  1849.28  674.271  3409.96  6056.10  1829.69  678.490   75.871   36.070   63.293   13.607 12.57743 38.55141 
1 1 1   -8   32   16 o   51.055   15.279  1245.15  682.757   0.0000   0.0000  1245.15  682.757  ?   ?    51.055   15.279 0.000000 15.27911 
1 1 1   -8   32   17 o   39.042   18.374 -580.0668  1498.35   0.0000   0.0000 -580.0668  1498.35  ?   ?    39.042   18.374 0.000000 18.37415 
1 1 1   -8   34    1 o  155.027   23.781 10845.74  2897.93   0.0000   0.0000 10845.74  2897.93  ?   ?   155.027   23.781 0.000000 23.78102 
1 1 1   -8   34    2 o   70.696   27.975  1665.21  2381.56   0.0000   0.0000  1665.21  2381.56  ?   ?    70.696   27.975 0.000000 27.97493 
1 1 1   -8   34    3 o  116.658   31.400  6708.94  3040.06   0.0000   0.0000  6708.94  3040.06  ?   ?   116.658   31.400 0.000000 31.40038 
1 1 1   -8   34    4 o  146.161   30.160 10344.44  3460.55   0.0000   0.0000 10344.44  3460.55  ?   ?   146.161   30.160 0.000000 30.15967 
1 1 1   -8   34    5 o  262.637   23.974 31276.78  5056.25 39496.39  9142.07 27654.41  6068.97  266.346   43.795  237.250   32.347 29.09615 54.44616 
1 1 1   -8   34    6 o  236.362   20.332 24741.18  3864.11 22174.17  8218.47 25469.71  4378.23  181.424   52.678  237.110   23.032 -55.68546 57.49273 
1 1 1   -8   34    7 o  156.916   22.143 11223.29  2742.83 15790.18  6515.62 10239.69  3023.81  156.435   47.287  146.566   26.379 9.869308 54.14706 
1 1 1   -8   34    8 o   54.479   22.393  735.225  1591.16 -433.8562  4147.50  936.988  1723.00   70.271   32.194   57.604   23.446 12.66682 39.82684 
1 1 1   -8   34    9 o  105.584   24.286  5395.57  2038.65 -2452.2219  6349.64  6297.51  2152.61   75.528   36.187  114.588   23.909 -39.05994 43.37241 
1 1 1   -8   34   10 o  221.097   23.414 23246.14  4139.36 27084.99  8880.17 22180.47  4678.76  176.516   55.543  209.379   28.241 -32.86304 62.31023 
1 1 1   -8   34   11 o  177.054   24.329 15416.46  3405.20 13842.34  8143.59 15750.00  3748.64  115.852   49.330  175.360   27.209 -59.50834 56.33598 
1 1 1   -8   34   12 o   23.949   10.227   15.105  351.872  1875.10  6439.72   9.5353  352.398   78.140   37.163   23.873   10.216 54.26681 38.54107 
1 1 1   -8   34   13 o   48.045   13.395  1049.37  542.166 -980.2234  6980.20  1061.69  543.809   69.981   34.486   48.314   13.396 21.66721 36.99627 
1 1 1   -8   34   14 o   69.652   12.026  2178.10  655.531 -83.9658  7653.09  2194.81  657.949   67.767   33.848   69.927   12.021 -2.159943 35.91949 
1 1 1   -8   34   15 o   29.208   14.625 -3240.3611  1470.27   0.0000   0.0000 -3240.3611  1470.27  ?   ?    29.208   14.625 0.000000 14.62530 
1 1 1   -8   34   16 f   38.131   17.878 -409.6793  1395.80   0.0000   0.0000 -409.6793  1395.80  ?   ?    38.131   17.878 0.000000 17.87799 
1 1 1   -8   36    1 o   61.117   26.147  606.956  2307.42   0.0000   0.0000  606.956  2307.42  ?   ?    61.117   26.147 0.000000 26.14651 
1 1 1   -8   36    2 o   88.036   30.481  3817.10  2655.46   0.0000   0.0000  3817.10  2655.46  ?   ?    88.036   30.481 0.000000 30.48075 
1 1 1   -8   36    3 o   81.507   29.452  3135.48  2500.76   0.0000   0.0000  3135.48  2500.76  ?   ?    81.507   29.452 0.000000 29.45217 
1 1 1   -8   36    4 o   91.859   30.705  4316.48  2690.75   0.0000   0.0000  4316.48  2690.75  ?   ?    91.859   30.705 0.000000 30.70471 
1 1 1   -8   36    5 o   95.273   31.005  4762.24  2749.93   0.0000   0.0000  4762.24  2749.93  ?   ?    95.273   31.005 0.000000 31.00484 
1 1 1   -8   36    6 o  118.648   28.899  7254.48  2758.31  9951.53  7677.90  6854.80  2955.63  112.367   47.873  113.106   31.179 -0.7392807 57.13135 
1 1 1   -8   36    7 f  125.082   28.147  8056.41  2789.54 10004.25  7746.06  7766.15  2990.17  109.416   47.367  120.266   30.559 -10.84946 56.36889 
1 1 1   -8   36    8 o  129.313   28.064  8731.43  2862.09 13402.45  8160.50  8076.26  3056.23  115.745   49.335  120.924   30.986 -5.178406 58.25866 
1 1 1   -8   36    9 o  177.512   26.003 16090.51  3636.78 15525.74  9418.32 16189.48  3942.57  111.093   49.944  174.087   28.905 -62.99435 57.70540 
1 1 1   -8   36   10 o   91.613   29.045  4870.14  2424.66  1495.07  8668.20  5156.63  2525.47   79.128   38.883   93.673   29.637 -14.54492 48.89003 
1 1 1   -8   36   11 o  141.480   30.124 11830.68  3354.50 13684.09 10013.17 11596.37  3560.23   91.284   44.163  135.678   32.701 -44.39433 54.95205 
1 1 1   -8   36   12 o   33.337   12.448  409.122  452.732  2202.87  8887.85  404.456  453.321   71.169   35.683   33.253   12.448 37.91618 37.79203 
1 1 1   -8   36   13 o   37.225   12.539  608.411  448.762   0.0000   0.0000  608.411  448.762  ?   ?    37.225   12.539 0.000000 12.53890 
1 1 1   -8   36   14 o   39.090   18.816 -1111.2600  1762.48   0.0000   0.0000 -1111.2600  1762.48  ?   ?    39.090   18.816 0.000000 18.81596 
1 1 1   -8   38    1 o   78.240   30.466  2998.27  2785.78   0.0000   0.0000  2998.27  2785.78  ?   ?    78.240   30.466 0.000000 30.46595 
1 1 1   -8   38    2 o  113.943   35.189  7783.74  3583.11   0.0000   0.0000  7783.74  3583.11  ?   ?   113.943   35.189 0.000000 35.18867 
1 1 1   -8   38    3 o  251.391   31.730 34259.62  6332.47   0.0000   0.0000 34259.62  6332.47  ?   ?   251.391   31.730 0.000000 31.72987 
1 1 1   -8   38    4 o  115.794   34.724  8145.93  3523.70   0.0000   0.0000  8145.93  3523.70  ?   ?   115.794   34.724 0.000000 34.72381 
1 1 1   -8   38    5 o  177.122   31.952 17584.03  4426.21   0.0000   0.0000 17584.03  4426.21  ?   ?   177.122   31.952 0.000000 31.95224 
1 1 1   -8   38    6 o  246.497   31.496 34368.40  6159.73   0.0000   0.0000 34368.40  6159.73  ?   ?   246.497   31.496 0.000000 31.49601 
1 1 1   -8   38    7 o   99.639   31.601  6160.44  2869.85 12125.84 10372.54  5665.93  2986.44   93.531   45.177   94.240   32.342 -0.7082367 55.56068 
1 1 1   -8   38    8 o  174.327   29.755 17607.61  4060.63 20247.15 11981.22 17265.07  4316.07   95.983   46.859  166.870   33.024 -70.88677 57.32650 
1 1 1   -8   38    9 o  121.271   34.321 10327.66  3531.70 28582.56 11537.76  8440.40  3709.77  102.228   48.927  103.005   36.006 -0.7768478 60.74810 
1 1 1   -8   38   10 o   88.543   32.661  6182.30  3098.21 17223.47 11319.24  5288.12  3221.22   80.975   40.552   81.087   32.392 -0.1115646 51.90066 
1 1 1   -8   38   11 o   56.624   24.665  1592.77  2126.73 -4578.6470 11764.00  1801.28  2162.36   61.877   31.822   58.046   25.078 3.831169 40.51557 
1 1 1   -8   40    1 o   57.436   26.842 -316.4551  3103.05   0.0000   0.0000 -316.4551  3103.05  ?   ?    57.436   26.842 0.000000 26.84167 
1 1 1   -8   40    2 o   67.069   30.346  1656.29  3542.32   0.0000   0.0000  1656.29  3542.32  ?   ?    67.069   30.346 0.000000 30.34576 
1 1 1   -8   40    3 o  110.751   39.648 10439.46  4520.31   0.0000   0.0000 10439.46  4520.31  ?   ?   110.751   39.648 0.000000 39.64753 
1 1 1   -8   40    4 o   56.868   26.851 -382.1695  3247.72   0.0000   0.0000 -382.1695  3247.72  ?   ?    56.868   26.851 0.000000 26.85108 
1 1 1   -8   40    5 f   77.193   31.632  4203.26  3162.65   0.0000   0.0000  4203.26  3162.65  ?   ?    77.193   31.632 0.000000 31.63161 
1 1 1   -8   40    6 o   44.239   21.626 -2493.9099  2576.74   0.0000   0.0000 -2493.9099  2576.74  ?   ?    44.239   21.626 0.000000 21.62610 
1 1 1   -8   40    7 o   51.684   24.521 -326.5984  2770.53   0.0000   0.0000 -326.5984  2770.53  ?   ?    51.684   24.521 0.000000 24.52069 
1 1 1   -8   40    8 o   72.013   31.138  4574.02  3339.30 -7235.6221 14230.62  5262.19  3435.22   61.885   31.961   75.188   32.027 -13.30286 45.24693 
1 1 1   -8   42    1 o   64.550   30.777  2949.40  4475.08   0.0000   0.0000  2949.40  4475.08  ?   ?    64.550   30.777 0.000000 30.77710 
1 1 1   -8   42    2 o   77.037   34.873  7291.51  4684.80   0.0000   0.0000  7291.51  4684.80  ?   ?    77.037   34.873 0.000000 34.87295 
1 1 1   -8   42    3 o   64.907   31.000  3642.71  4580.60   0.0000   0.0000  3642.71  4580.60  ?   ?    64.907   31.000 0.000000 31.00011 
1 1 1   -7    1    5 o  1008.00   49.347 426434.50 40388.76 443867.69 57112.79 408994.41 57123.87  1009.85   70.087  966.124   73.367 43.72662 101.4637 
1 1 1   -7    1    6 o  182.727   7.1882 13562.45  1066.50 13245.71  1504.75 13882.15  1511.80  180.236   10.325  184.544   10.128 -4.307343 14.46317 
1 1 1   -7    1    7 o  415.365   14.369 70157.70  4846.27 69566.06  6849.32 70750.84  6858.00  413.267   20.412  416.781   20.265 -3.514099 28.76305 
1 1 1   -7    1    8 o  109.152   5.5060  4850.28  486.410  4581.25  683.686  5126.03  692.168  105.902   8.0100  112.083   7.6513 -6.180832 11.07715 
1 1 1   -7    1    9 o  1026.42   34.481 430923.50 28737.17 425762.09 40636.72 436086.91 40644.28  1016.34   49.243  1028.77   48.657 -12.43250 69.22638 
1 1 1   -7    1   10 o  962.999   32.403 379279.91 25336.67 370912.19 35828.01 387650.91 35834.93  948.631   46.514  970.116   45.493 -21.48529 65.06304 
1 1 1   -7    1   11 o  602.733   20.439 148112.50 10002.64 144503.09 14142.40 151725.41 14149.36  594.021   29.321  608.808   28.623 -14.78717 40.97589 
1 1 1   -7    1   12 o  444.771   21.906 80935.90  7910.95 85756.10 11188.30 76116.62 11187.23  455.222   30.445  428.208   32.416 27.01395 44.47118 
1 1 1   -7    1   13 o  619.423   21.203 157313.30 10664.13 161263.80 15078.35 153359.70 15084.36  624.193   29.751  607.617   30.674 16.57574 42.73138 
1 1 1   -7    1   14 o  296.165   10.796 35716.94  2596.29 37782.99  3671.02 33649.35  3672.40  304.204   14.862  286.542   15.846 17.66174 21.72495 
1 1 1   -7    1   15 o  495.803   17.008 100679.60  6847.13 98242.27  9678.40 103121.90  9688.22  486.875   24.561  499.662   23.880 -12.78720 34.25632 
1 1 1   -7    1   16 o  262.285   9.8574 28028.69  2099.30 27262.87  2961.65 28802.02  2976.13  257.801   14.203  265.060   13.877 -7.259888 19.85682 
1 1 1   -7    1   17 o  244.697   9.4937 24406.94  1886.28 24736.94  2669.37 24077.82  2665.82  245.494   13.443  242.156   13.613 3.337082 19.13177 
1 1 1   -7    1   18 o  108.225   7.2893  4791.13  636.816  4119.61  880.212  5528.66  922.461   99.784   11.049  115.953   9.8924 -16.16911 14.83071 
1 1 1   -7    1   19 o   95.547   8.0649  3753.31  619.839  3627.76  861.052  3888.35  892.989   93.291   11.619   96.633   11.614 -3.342117 16.42794 
1 1 1   -7    1   20 o   21.092   9.3416 -104.6524  316.920  583.169  433.599 -893.5478  464.366   38.044   12.306   18.669   9.1376 19.37582 15.32777 
1 1 1   -7    1   21 o   32.693   12.563  307.737  468.947 -588.9009  694.026  1061.02  636.133   27.569   12.820   49.730   14.718 -22.16118 19.51837 
1 1 1   -7    1   22 o   91.074   9.7721  3477.42  711.347  3699.06  992.443  3243.25  1020.12   92.664   13.595   86.070   15.150 6.593697 20.35544 
1 1 1   -7    1   23 o   59.821   13.128  1580.17  620.135  2197.10  803.001  668.502  976.142   70.270   14.553   45.942   17.994 24.32823 23.14218 
1 1 1   -7    1   24 o   81.204   10.632  2836.21  684.200  2310.41  982.054  3332.17  953.775   70.145   17.341   86.439   14.074 -16.29408 22.33314 
1 1 1   -7    1   25 o   57.932   13.933  1557.64  647.368  2112.78  887.864  927.515  945.925   66.199   16.560   47.177   17.910 19.02160 24.39279 
1 1 1   -7    1   26 o   55.314   14.284  1489.33  645.991  998.834  881.211  2059.12  949.775   46.102   17.336   62.551   17.832 -16.44888 24.86993 
1 1 1   -7    3    1 o  229.342   12.229 21478.32  2268.99 21519.19  3224.65 21438.23  3193.25  228.871   17.484  228.460   17.344 0.4114838 24.62731 
1 1 1   -7    3    2 o  474.359   33.499 93838.91 12819.80 93838.91 12819.80   0.0000   0.0000  474.359   33.499  ?   ?  0.000000 33.49936 
1 1 1   -7    3    3 o  206.944   9.0350 17412.92  1518.17 15586.89  2647.89 18307.14  1852.98  194.701   16.917  211.848   10.808 -17.14677 20.07526 
1 1 1   -7    3    4 o  357.794   12.206 52095.90  3546.05 51356.63  5010.43 52837.81  5019.32  354.814   17.391  359.915   17.175 -5.101532 24.44295 
1 1 1   -7    3    5 o  236.613   8.7311 22750.78  1677.44 22095.76  2364.05 23414.97  2380.54  232.728   12.557  239.620   12.277 -6.891281 17.56094 
1 1 1   -7    3    6 o  502.812   17.202 102924.20  7023.02 103486.50  9925.81 102360.40  9938.31  503.496   24.279  500.731   24.444 2.765442 34.45246 
1 1 1   -7    3    7 o  787.235   26.601 252947.50 17003.45 258292.70 24041.58 247598.00 24051.44  793.472   37.316  776.691   38.138 16.78052 53.35685 
1 1 1   -7    3    8 o  1619.40  119.399 1169469.00 155890.41   0.0000   0.0000 1169469.00 155890.41  ?   ?   1619.40  119.399 0.000000 119.3993 
1 1 1   -7    3    9 o  845.940   28.419 292005.00 19520.00 290565.81 27599.62 293445.41 27611.30  841.684   40.385  845.884   40.201 -4.199280 56.98282 
1 1 1   -7    3   10 o  1015.11   34.066 421895.69 28078.73 419308.31 39702.35 424484.81 39716.30  1007.64   48.526  1013.94   48.241 -6.301208 68.42508 
1 1 1   -7    3   11 o  466.227   15.940 88491.44  6034.15 89118.92  8526.78 87861.95  8540.40  467.242   22.475  463.913   22.673 3.329163 31.92475 
1 1 1   -7    3   12 o  626.278   30.520 161764.91 15519.70 164611.09 21946.06 158917.59 21950.29  625.391   43.489  614.016   44.325 11.37592 62.09667 
1 1 1   -7    3   13 o  221.293   8.5985 19914.27  1545.00 21130.34  2181.77 18691.06  2188.16  227.474   11.853  213.812   12.660 13.66223 17.34332 
1 1 1   -7    3   14 o  425.944   14.865 74082.21  5141.15 75720.97  7264.38 72437.77  7277.00  429.442   20.833  419.363   21.443 10.07925 29.89662 
1 1 1   -7    3   15 o  565.579   19.476 131395.59  8943.95 135380.80 12643.18 127403.50 12654.13  570.907   27.274  552.694   28.292 18.21326 39.29803 
1 1 1   -7    3   16 o  239.001   9.6626 23271.36  1875.13 29174.63  2645.92 17314.97  2657.79  267.328   12.190  204.911   16.104 62.41699 20.19715 
1 1 1   -7    3   17 o  232.375   9.2314 22007.40  1741.78 22274.58  2460.64 21739.08  2465.87  232.974   13.060  230.111   13.254 2.863480 18.60734 
1 1 1   -7    3   18 f  239.193   9.3652 23348.92  1818.87 24354.13  2566.54 22334.68  2578.05  243.359   13.036  232.864   13.695 10.49458 18.90748 
1 1 1   -7    3   19 o  189.587   8.3853 14684.77  1290.82 13793.98  1807.87 15611.15  1843.64  182.702   12.258  194.553   11.726 -11.85124 16.96293 
1 1 1   -7    3   20 o  217.059   9.1730 19343.77  1616.68 19598.99  2274.43 19083.14  2298.43  216.917   12.973  213.897   13.300 3.020523 18.57899 
1 1 1   -7    3   21 o  162.000   8.3757 10816.28  1097.97  9998.58  1539.68 11662.36  1566.17  154.369   12.388  167.106   11.615 -12.73662 16.98157 
1 1 1   -7    3   22 f  100.199   8.7100  4177.33  701.577  3897.24  964.445  4492.12  1022.45   95.441   12.765  102.660   12.526 -7.218956 17.88416 
1 1 1   -7    3   23 o   35.132   13.057  425.689  497.015  350.650  657.362  525.831  759.397   36.762   14.650   41.011   15.924 -4.248371 21.63766 
1 1 1   -7    3   24 o   73.917   11.178  2372.48  649.937  1813.73  857.344  3127.46  996.591   62.339   16.630   82.941   15.364 -20.60213 22.64124 
1 1 1   -7    3   25 o   75.874   11.903  2565.54  709.161  2561.56  927.047  2571.16  1101.06   73.320   16.020   71.594   18.727 1.726540 24.64397 
1 1 1   -7    3   26 o   21.184   10.373 -1007.8010  600.242 -2000.4380  752.372  730.219  995.555   20.397   10.248   43.327   17.750 -22.92979 20.49588 
1 1 1   -7    5    1 o  524.734   25.742 113170.40 10967.69 111682.70 15519.81 114654.60 15501.53  516.598   37.249  523.690   36.687 -7.091736 52.28248 
1 1 1   -7    5    2 o  718.327   51.305 220309.80 29726.93 220309.80 29726.93   0.0000   0.0000  718.327   51.305  ?   ?  0.000000 51.30460 
1 1 1   -7    5    3 o  799.974   57.179 274526.91 36895.64 274526.91 36895.64   0.0000   0.0000  799.974   57.179  ?   ?  0.000000 57.17854 
1 1 1   -7    5    4 o  616.057   23.811 155242.91 11910.78 165154.59 20672.68 150317.70 14572.67  629.706   40.649  604.958   29.667 24.74884 50.32344 
1 1 1   -7    5    5 o  1210.42   88.211 644610.00 86098.84 644610.00 86098.84   0.0000   0.0000  1210.42   88.211  ?   ?  0.000000 88.21062 
1 1 1   -7    5    6 o  979.152   38.214 393896.41 30381.41 412393.31 52642.84 384658.91 37202.18  988.399   65.974  964.494   47.504 23.90503 81.29681 
1 1 1   -7    5    7 o  1136.25   38.115 529513.00 35165.25 508169.50 49723.34 550870.00 49739.01  1106.93   55.322  1153.46   53.108 -46.52368 76.68763 
1 1 1   -7    5    8 o  1610.10  118.089 1150047.00 153306.70   0.0000   0.0000 1150047.00 153306.70  ?   ?   1610.10  118.089 0.000000 118.0888 
1 1 1   -7    5    9 o  996.700   33.248 406189.41 26907.29 425360.41 38046.14 387005.41 38059.16  1016.63   46.090  969.048   48.370 47.58270 66.81288 
1 1 1   -7    5   10 o  540.173   18.298 118779.40  8025.54 120199.90 11340.85 117354.30 11358.82  542.682   25.737  536.180   26.091 6.501526 36.64865 
1 1 1   -7    5   11 o  297.407   10.450 35958.45  2523.55 35088.67  3559.97 36836.95  3577.78  293.196   15.004  300.822   14.648 -7.625214 20.96833 
1 1 1   -7    5   12 f  790.406   38.670 260741.00 24818.05 269784.91 35103.52 251702.80 35092.52  791.505   54.962  762.707   57.079 28.79755 79.23905 
1 1 1   -7    5   13 o  291.144   10.545 34501.90  2492.91 34220.40  3514.31 34787.01  3536.81  289.188   15.018  291.583   14.989 -2.395142 21.21854 
1 1 1   -7    5   14 o  183.935   7.4958 13756.19  1119.49 12528.52  1564.58 15044.10  1602.50  175.033   11.066  191.947   10.320 -16.91422 15.13112 
1 1 1   -7    5   15 o   60.415   7.3749  1506.44  354.268  1542.07  474.199  1461.44  532.953   60.749   9.9588   58.861   11.564 1.888226 15.26101 
1 1 1   -7    5   16 o  191.384   8.1375 14908.52  1264.55 15254.19  1768.93 14547.25  1808.42  193.030   11.336  188.411   11.882 4.619171 16.42204 
1 1 1   -7    5   17 o  281.090   10.668 32249.77  2434.80 32444.83  3431.58 32052.04  3455.20  280.792   15.107  279.032   15.309 1.759766 21.50756 
1 1 1   -7    5   18 o  140.582   7.2821  8071.86  828.386  8122.27  1152.72  8018.03  1191.26  140.626   10.164  139.648   10.585 0.9787750 14.67434 
1 1 1   -7    5   19 o  175.506   8.3644 12589.84  1191.97 12516.14  1664.66 12667.38  1707.57  174.018   11.852  175.008   12.091 -0.9906311 16.93085 
1 1 1   -7    5   20 o  147.411   8.0193  8927.64  956.236  7832.95  1292.77 10250.17  1420.95  137.106   11.725  157.130   11.211 -20.02365 16.22236 
1 1 1   -7    5   21 o  107.449   7.9742  4767.72  690.745  3796.49  915.114  6053.86  1053.07   94.691   12.185  120.331   10.896 -25.64028 16.34639 
1 1 1   -7    5   22 o   76.429   10.633  2478.33  641.993  2177.46  785.421  3084.02  1114.40   70.417   14.226   82.995   17.106 -12.57793 22.24845 
1 1 1   -7    5   23 o  102.310   9.0072  4387.99  740.621  3967.55  997.106  4905.42  1106.15   95.541   13.206  106.453   13.072 -10.91279 18.58186 
1 1 1   -7    5   24 o   21.635   10.040 -331.9172  422.274 -527.4142  503.064  134.387  776.942   22.317   10.547   35.741   15.228 -13.42397 18.52358 
1 1 1   -7    5   25 o   37.596   13.328  585.677  509.605  889.901  603.889 -166.8671  949.788   44.282   14.535   35.215   15.843 9.066845 21.50066 
1 1 1   -7    5   26 o   38.469   13.468  666.495  519.138  958.362  612.630 -76.8961  977.720   44.510   14.641   35.216   15.937 9.293240 21.64194 
1 1 1   -7    7    1 o  412.759   20.570 69605.26  6893.90 67502.54  9760.06 71698.86  9738.87  403.990   29.967  416.669   28.966 -12.67911 41.67821 
1 1 1   -7    7    3 o  202.226   11.416 16681.62  1866.91 14709.87  2665.03 18581.59  2616.07  189.198   17.548  213.104   15.219 -23.90587 23.22798 
1 1 1   -7    7    4 o  647.640   31.228 171933.30 16421.84 175838.09 23247.71 168044.30 23200.34  650.394   44.285  635.426   45.263 14.96838 63.32355 
1 1 1   -7    7    5 o  270.680   10.492 29772.55  2305.88 36524.30  4052.09 26539.06  2804.19  299.127   16.751  255.119   13.586 44.00829 21.56777 
1 1 1   -7    7    6 o  184.736   8.7755 13862.94  1316.33  8490.59  2324.61 16398.64  1597.05  142.936   20.626  200.909   9.7899 -57.97287 22.83182 
1 1 1   -7    7    7 o  181.470   8.7617 13376.24  1291.01 16923.73  1578.96  6221.55  2242.36  204.111   9.5272  121.518   23.577 82.59274 25.42889 
1 1 1   -7    7    8 o  473.308   15.853 91091.23  6092.48 94768.80  8612.22 87407.05  8619.92  482.419   21.986  463.243   22.917 19.17636 31.75819 
1 1 1   -7    7    9 o  667.086   22.063 181280.41 11950.62 183171.00 16895.31 179387.41 16906.15  669.436   31.083  662.436   31.431 7.000244 44.20475 
1 1 1   -7    7   10 o  1127.66   37.856 523389.81 34661.93 523498.69 49014.32 523280.81 49024.43  1119.96   53.899  1119.71   53.922 0.2460938 76.24140 
1 1 1   -7    7   11 o  608.972   21.301 151584.09 10532.69 154901.80 14888.78 148260.50 14902.19  613.591   29.884  599.318   30.727 14.27362 42.86258 
1 1 1   -7    7   12 o  455.409   15.682 84631.76  5798.83 85487.58  8191.74 83772.14  8209.85  456.558   22.097  451.897   22.375 4.661499 31.44714 
1 1 1   -7    7   13 o  631.247   21.165 163539.50 10847.93 162351.80 15331.47 164730.41 15351.12  625.466   30.188  630.115   30.004 -4.648438 42.56286 
1 1 1   -7    7   14 o  832.831   28.680 288199.69 19394.50 284826.00 27416.62 291579.00 27439.33  816.901   41.470  828.028   40.812 -11.12640 58.18408 
1 1 1   -7    7   15 o  369.063   13.251 55627.98  3970.80 56001.91  5600.90 55250.12  5630.34  368.743   18.769  366.189   19.001 2.554199 26.70800 
1 1 1   -7    7   16 o  161.833   7.5032 10657.13  985.945 11525.87  1364.13  9706.93  1426.65  167.849   10.055  153.788   11.508 14.06125 15.28254 
1 1 1   -7    7   17 o  118.437   6.7049  5725.87  642.146  5313.40  884.994  6184.48  933.182  113.728   9.6757  122.792   9.4317 -9.063599 13.51206 
1 1 1   -7    7   18 f  131.303   7.1054  7044.23  754.714  5691.39  1014.58  8720.21  1129.27  117.448   10.759  145.782   9.5937 -28.33354 14.41477 
1 1 1   -7    7   19 o  202.184   8.6770 16729.58  1424.48 16536.56  1991.00 16932.00  2038.88  199.841   12.330  202.177   12.481 -2.335556 17.54462 
1 1 1   -7    7   20 o  154.117   8.1568  9766.19  1017.09  9462.74  1392.42 10113.29  1489.21  150.773   11.460  155.761   11.864 -4.988068 16.49490 
1 1 1   -7    7   21 o  155.165   8.3337  9935.35  1046.10  9091.61  1396.76 11013.23  1578.71  147.215   11.784  161.978   12.091 -14.76260 16.88320 
1 1 1   -7    7   22 o  134.690   8.5737  7530.59  932.773  7723.62  1225.25  7264.50  1438.56  135.357   11.250  130.029   13.838 5.328323 17.83421 
1 1 1   -7    7   23 o   91.140   9.3397  3501.95  681.402  3582.98  831.581  3336.35  1188.74   91.370   11.461   85.083   17.780 6.286987 21.15374 
1 1 1   -7    7   24 o   80.763   40.983  730.930 13925.57  982.015 20088.74  498.668 19321.13   82.572   42.442   82.259   42.246 0.3138657 59.88325 
1 1 1   -7    7   25 o   49.355   13.378  1136.15  549.530  672.621  627.955  2651.99  1135.57   40.227   14.724   71.737   19.141 -31.50926 24.14898 
1 1 1   -7    7   26 o   58.057   12.548  1601.51  574.259  1820.25  663.702  950.047  1145.39   61.176   13.702   45.986   18.962 15.18991 23.39451 
1 1 1   -7    9    1 o  556.504   22.074 126344.60  9974.45 113784.50 17256.51 132646.20 12223.15  523.521   40.921  569.615   26.428 -46.09338 48.71317 
1 1 1   -7    9    2 o  352.710   18.054 50793.61  5153.09 46621.77  7308.60 54917.79  7266.73  336.660   26.963  365.932   24.600 -29.27176 36.49842 
1 1 1   -7    9    3 o  320.291   16.554 41857.01  4290.30 38671.34  6092.65 44990.43  6042.48  306.858   24.661  331.410   22.590 -24.55234 33.44343 
1 1 1   -7    9    4 o  867.388   41.685 309555.69 29358.07 316517.81 41557.00 302619.31 41480.28  869.389   59.222  849.429   60.538 19.96057 84.68850 
1 1 1   -7    9    5 o  470.884   23.131 90358.08  8844.08 87112.43 12545.34 93564.77 12469.83  460.161   33.813  477.237   32.372 -17.07645 46.81083 
1 1 1   -7    9    6 o  1125.23   54.448 523844.00 49745.86 508176.69 70386.26 539480.19 70316.34  1094.05   79.784  1128.96   77.170 -34.91724 110.9989 
1 1 1   -7    9    7 o  213.367   12.164 18559.60  2098.68   0.0000   0.0000 18559.60  2098.68  ?   ?   213.367   12.164 0.000000 12.16420 
1 1 1   -7    9    8 o  779.551   30.572 248255.50 19351.00 264006.91 33593.57 240433.50 23673.07  797.583   52.160  765.866   38.068 31.71704 64.57478 
1 1 1   -7    9    9 f  731.736   24.939 218523.59 14817.19 221092.30 20953.59 215954.30 20955.76  734.130   35.152  725.458   35.576 8.671509 50.01274 
1 1 1   -7    9   10 o  395.895   13.539 63779.68  4352.00 65302.08  6151.59 62254.23  6157.73  400.146   18.933  390.651   19.413 9.495209 27.11722 
1 1 1   -7    9   11 o   26.942   10.526  174.416  333.432  230.893  532.293  137.944  427.753   33.225   13.201   28.936   11.717 4.288792 17.65087 
1 1 1   -7    9   12 o   71.417   6.2498  2088.35  358.768  2099.25  478.515  2074.37  542.178   71.358   8.4210   70.751   9.6927 0.6069946 12.83984 
1 1 1   -7    9   13 o  477.739   16.359 93306.70  6345.95 89546.02  8967.58 97079.04  8981.50  465.634   23.798  485.724   22.773 -20.09033 32.93887 
1 1 1   -7    9   14 o  480.173   16.789 94414.80  6545.97 94918.98  9251.35 93909.30  9263.45  479.397   23.767  476.177   24.037 3.219513 33.80262 
1 1 1   -7    9   15 o  263.991   9.6572 28389.95  2070.05 27727.55  2917.56 29061.45  2937.54  260.064   13.867  266.306   13.631 -6.242035 19.44439 
1 1 1   -7    9   16 o  151.409   7.3081  9328.79  898.453  9234.21  1239.27  9433.59  1304.45  150.128   10.227  151.689   10.659 -1.561432 14.77170 
1 1 1   -7    9   17 o  325.950   11.755 43464.63  3111.16 41388.06  4385.17 45569.22  4414.67  316.273   17.140  332.566   16.349 -16.29251 23.68664 
1 1 1   -7    9   18 o  309.719   10.946 39320.05  2752.83 39965.55  3891.56 38673.52  3894.62  310.792   15.421  305.216   15.769 5.575714 22.05614 
1 1 1   -7    9   19 o  253.901   9.9798 26487.31  2057.43 27450.58  2903.13 25515.33  2916.21  256.656   13.984  247.132   14.598 9.524796 20.21462 
1 1 1   -7    9   20 o  147.012   7.8926  8888.52  938.685  9076.26  1281.17  8670.93  1379.26  147.759   10.752  144.026   11.901 3.733353 16.03872 
1 1 1   -7    9   21 o  107.495   8.2474  4785.30  714.362  4191.61  927.263  5652.14  1120.46   99.559   11.693  115.640   12.113 -16.08060 16.83590 
1 1 1   -7    9   22 o  112.928   8.4666  5305.73  770.685  4955.07  969.536  5907.61  1270.21  108.133   11.205  117.056   13.619 -8.923012 17.63597 
1 1 1   -7    9   23 o  246.916   10.716 25757.32  2148.36 25876.05  3016.45 25635.10  3060.51  242.107   15.425  240.558   15.756 1.548660 22.04925 
1 1 1   -7    9   24 o   93.841   9.3742  3756.83  704.723  3949.07  870.875  3392.14  1199.50   95.108   11.512   83.906   18.135 11.20255 21.48024 
1 1 1   -7    9   25 o   81.910   10.934  2980.58  709.038  2875.50  785.158  3445.09  1650.72   79.356   12.607   76.098   23.947 3.258751 27.06320 
1 1 1   -7    9   26 o   32.347   12.531  395.292  469.456  395.292  469.456   0.0000   0.0000   32.347   12.531  ?   ?  0.000000 12.53137 
1 1 1   -7   11    1 o  413.628   16.963 69606.25  5697.10 66821.83  9864.16 70999.96  6978.73  403.214   30.352  417.539   20.584 -14.32590 36.67358 
1 1 1   -7   11    2 o  726.354   35.075 216088.30 20686.11 220830.91 29277.50 211360.50 29231.70  729.460   49.727  713.240   50.808 16.22009 71.09275 
1 1 1   -7   11    3 o  199.114   11.681 16166.23  1880.21 13994.74  2683.12 18261.42  2635.56  184.572   18.138  211.350   15.465 -26.77704 23.83592 
1 1 1   -7   11    4 o  1017.05   49.145 426579.31 40584.48 417173.81 57436.66 435957.69 57353.67  994.839   71.583  1017.99   69.809 -23.15662 99.98692 
1 1 1   -7   11    5 o  835.718   40.190 286384.91 27272.06 287282.59 38617.29 285491.81 38519.94  830.840   57.599  828.218   57.639 2.622437 81.48576 
1 1 1   -7   11    6 o  746.855   51.738 231223.80 31181.95   0.0000   0.0000 231223.80 31181.95  ?   ?   746.855   51.738 0.000000 51.73838 
1 1 1   -7   11    7 o  1068.51   42.921 469235.50 37237.70 480920.81 64614.05 463424.31 45565.68  1066.07   75.126  1057.14   53.255 8.928101 92.08712 
1 1 1   -7   11    8 o  924.623   36.206 350852.00 27182.19 369285.31 47195.45 341702.19 33250.98  936.880   62.398  909.827   45.010 27.05304 76.93740 
1 1 1   -7   11    9 o  381.290   14.987 59180.23  4639.82 76580.85  8156.07 50854.62  5641.66  432.304   23.322  352.557   19.788 79.74661 30.58539 
1 1 1   -7   11   10 o  163.810   8.3921 10935.65  1112.47  9141.74  2034.01 11701.32  1328.84  148.715   17.160  169.359   9.7038 -20.64418 19.71328 
1 1 1   -7   11   11 o  372.471   15.283 56608.16  4622.00 56891.37  8114.39 56472.16  5623.43  370.454   27.166  371.096   18.723 -0.6420288 32.99300 
1 1 1   -7   11   12 o  414.632   16.699 70275.72  5622.04 74524.95  9852.43 68224.07  6846.03  423.213   28.843  407.264   20.772 15.94891 35.54419 
1 1 1   -7   11   13 f  262.437   9.3959 28031.77  2002.19 26545.45  2829.45 29522.46  2833.60  254.658   13.735  269.019   12.972 -14.36179 18.89229 
1 1 1   -7   11   14 o  164.907   6.5557 11056.41  877.806  9748.23  1224.65 12438.70  1258.86  154.397   9.8197  174.580   8.9103 -20.18279 13.25974 
1 1 1   -7   11   15 o  219.041   9.2029 19544.51  1636.78 19682.95  2305.04 19403.71  2324.58  219.068   13.017  217.468   13.228 1.600327 18.55844 
1 1 1   -7   11   16 o   92.276   6.7260  3482.72  500.477  3638.53  641.152  3239.73  800.705   94.128   8.4799   88.331   11.432 5.797119 14.23399 
1 1 1   -7   11   17 o  396.927   14.416 64819.29  4646.05 65573.25  6568.83 64064.55  6572.20  396.082   20.495  391.343   20.757 4.738342 29.17055 
1 1 1   -7   11   18 o  168.072   8.1389 11541.69  1110.71 12109.02  1543.84 10932.96  1599.18  171.324   11.159  162.497   12.210 8.827820 16.54071 
1 1 1   -7   11   19 o  242.524   9.4675 24175.14  1864.35 24950.80  2644.09 23408.23  2629.15  244.566   13.366  236.683   13.740 7.882462 19.16830 
1 1 1   -7   11   20 f  226.348   9.3350 21126.84  1715.65 21998.19  2422.40 20249.86  2430.21  228.928   13.086  219.259   13.720 9.669785 18.95981 
1 1 1   -7   11   21 o  132.945   8.2745  7315.59  888.776  8156.21  1179.09  6209.50  1352.52  139.618   10.477  120.230   14.124 19.38850 17.58545 
1 1 1   -7   11   22 o   89.747   8.8128  3374.79  633.917  3495.90  739.385  3038.79  1231.57   90.893   10.194   80.867   19.067 10.02641 21.62103 
1 1 1   -7   11   23 o  161.352   8.9719 10929.74  1170.79  9916.96  1555.80 12252.19  1777.81  151.126   12.799  167.768   13.156 -16.64220 18.35482 
1 1 1   -7   11   24 o   45.096   11.978  919.506  446.025  1057.35  480.709   66.371  1195.91   48.258   12.247   41.180   18.197 7.077579 21.93468 
1 1 1   -7   11   25 o   76.272   10.851  2606.00  653.066  2438.85  704.944  3617.86  1734.47   72.763   12.375   75.603   24.625 -2.839645 27.55915 
1 1 1   -7   13    1 o  1030.12   40.330 435139.09 33732.78 400914.00 58434.93 452244.69 41311.20  974.667   74.400  1047.84   48.555 -73.16925 88.84208 
1 1 1   -7   13    2 f  1600.56  117.090 1131466.00 151114.80 1131466.00 151114.80   0.0000   0.0000  1600.56  117.090  ?   ?  0.000000 117.0900 
1 1 1   -7   13    3 o  984.285   47.227 398611.59 37743.95 415681.00 53420.41 381596.31 53335.70  996.684   66.390  953.467   69.368 43.21790 96.01881 
1 1 1   -7   13    4 o  1108.82   53.334 507757.31 48017.70 521265.31 67950.42 494283.59 67864.24  1111.64   75.733  1081.23   77.821 30.40381 108.5895 
1 1 1   -7   13    5 o  172.833   14.979 12235.56  2081.26   0.0000   0.0000 12235.56  2081.26  ?   ?   172.833   14.979 0.000000 14.97882 
1 1 1   -7   13    6 o  1023.43   48.608 432418.31 40392.93 472200.41 57190.69 392820.69 57058.00  1059.80   66.803  962.729   73.548 97.06738 99.35757 
1 1 1   -7   13    7 o  961.463   36.549 379771.91 28532.95 434852.09 49588.67 352510.50 34886.58  1016.94   60.325  921.745   46.766 95.19232 76.32935 
1 1 1   -7   13    8 o  242.935   10.629 23993.66  2096.59 26238.53  3805.21 23015.09  2512.34  252.998   18.655  237.486   13.079 15.51266 22.78328 
1 1 1   -7   13    9 o  447.506   17.455 81722.17  6342.43 88425.41 11146.13 78512.45  7712.85  462.302   29.853  438.019   21.686 24.28302 36.89833 
1 1 1   -7   13   10 o  488.628   26.687 98670.52 10548.14 74600.20 15065.77 121815.00 14773.17  417.642   45.146  540.275   33.847 -122.6335 56.42451 
1 1 1   -7   13   11 o  581.894   23.812 139328.00 11250.82 128855.00 19647.25 144437.91 13723.75  549.022   44.455  590.720   28.612 -41.69788 52.86667 
1 1 1   -7   13   12 o  443.527   18.035 80572.70  6494.90 81019.79 11418.57 80358.89  7896.78  439.460   32.225  441.988   22.004 -2.528534 39.02082 
1 1 1   -7   13   13 o  418.612   17.375 71824.67  5905.74 66606.66 10404.59 74304.89  7173.27  397.228   32.544  424.908   20.791 -27.67966 38.61889 
1 1 1   -7   13   14 o  571.355   23.042 135159.00 10689.65 137642.00 18715.87 133956.80 13022.78  563.469   41.193  565.281   28.464 -1.811707 50.07046 
1 1 1   -7   13   15 o  349.754   14.879 50150.43  4225.38 47948.63  7533.69 51160.91  5103.68  336.921   27.786  352.058   17.913 -15.13712 33.05997 
1 1 1   -7   13   16 o   97.215   7.0379  3867.41  551.780  4922.00  744.194  2579.80  822.312  109.570   8.4295   78.251   13.426 31.31886 15.85259 
1 1 1   -7   13   17 o  267.379   10.387 29273.57  2255.14 29803.94  3199.58 28749.99  3179.01  268.251   14.746  263.388   14.926 4.862762 20.98194 
1 1 1   -7   13   18 o   90.370   7.2469  3357.03  527.291  4107.06  681.795  2240.74  831.774   99.806   8.4939   72.149   14.697 27.65723 16.97524 
1 1 1   -7   13   19 o  131.818   7.4438  7137.96  793.468  6841.69  1069.49  7500.71  1183.40  128.342   10.351  134.242   10.952 -5.899353 15.06969 
1 1 1   -7   13   20 o  102.638   7.4934  4347.44  620.172  3684.89  775.945  5519.19  1031.90   93.727   10.370  114.643   11.230 -20.91606 15.28511 
1 1 1   -7   13   21 o   32.668   10.929  424.254  340.916  535.840  370.598 -189.8235  869.381   35.908   11.352   34.939   15.473 0.9686928 19.19119 
1 1 1   -7   13   22 o  177.229   9.2037 13139.53  1319.89 13417.02  1799.36 12816.29  1942.00  176.841   12.614  171.721   14.051 5.119736 18.88242 
1 1 1   -7   13   23 o  113.912   8.8376  5476.00  811.010  6188.75  1014.19  4211.82  1350.68  120.227   10.494   94.147   18.328 26.08061 21.11996 
1 1 1   -7   13   24 f   50.603   11.278  1156.36  451.555  1198.04  481.598  853.232  1298.80   51.316   11.804   48.616   20.132 2.700199 23.33724 
1 1 1   -7   13   25 o   27.013   10.715  217.144  350.196  263.484  359.766 -619.3357  1528.51   28.170   10.954   38.682   18.312 -10.51195 21.33815 
1 1 1   -7   15    1 o  1067.31   41.907 467532.91 36317.17 453482.59 62925.88 474550.41 44471.25  1036.31   75.297  1072.49   51.068 -36.17212 90.98112 
1 1 1   -7   15    2 o  503.390   20.575 103154.70  8409.66 115611.80 14567.97 96928.70 10298.98  530.621   33.991  486.866   26.148 43.75491 42.88492 
1 1 1   -7   15    3 o  583.768   40.993 140575.50 19307.42   0.0000   0.0000 140575.50 19307.42  ?   ?   583.768   40.993 0.000000 40.99285 
1 1 1   -7   15    4 o  1149.12   55.522 548285.62 51804.69 564965.12 73326.13 531663.38 73199.82  1151.16   78.925  1114.88   81.425 36.28442 113.3982 
1 1 1   -7   15    5 o  328.182   16.874 43948.11  4481.24 50396.34  6411.43 37789.22  6265.94  350.834   22.628  303.162   25.697 47.67181 34.23934 
1 1 1   -7   15    6 o  719.292   34.525 212799.30 20163.82 229122.59 28594.90 196655.00 28437.66  740.572   47.809  684.287   51.561 56.28448 70.31505 
1 1 1   -7   15    7 o  332.473   17.049 45179.50  4586.95 49909.45  6585.28 40721.95  6392.84  348.495   23.408  314.296   25.264 34.19894 34.44146 
1 1 1   -7   15    8 o  319.468   12.699 41556.18  3294.21 45684.13  5920.96 39705.58  3964.44  333.278   22.004  311.641   15.718 21.63766 27.04101 
1 1 1   -7   15    9 o  437.052   22.392 78580.22  7919.63 75067.47 11417.55 81837.49 10994.52  423.726   33.458  443.515   30.719 -19.78931 45.42144 
1 1 1   -7   15   10 o  319.857   12.902 41700.39  3350.71 46025.38  6024.07 39762.90  4031.97  333.998   22.342  311.606   15.990 22.39185 27.47408 
1 1 1   -7   15   11 o  325.280   13.195 43157.52  3484.90 48165.20  6271.70 40920.80  4191.54  341.338   22.759  315.922   16.396 25.41531 28.05054 
1 1 1   -7   15   12 o  547.625   22.817 123714.10 10145.61 109378.40 17798.60 130614.10 12348.16  502.592   44.059  560.859   27.115 -58.26688 51.73439 
1 1 1   -7   15   13 o  111.957   8.2475  5128.76  744.471  1937.13  1619.48  5983.95  838.297   70.619   23.820  120.943   8.5924 -50.32347 25.32206 
1 1 1   -7   15   14 o   38.336   11.930  595.875  410.983 -961.8990  1169.84  815.211  438.964   36.323   16.805   43.971   11.972 -7.648060 20.63365 
1 1 1   -7   15   15 o  360.333   15.626 53375.16  4571.96 49037.45  8224.11 55315.33  5500.20  338.516   30.239  365.434   18.598 -26.91861 35.50050 
1 1 1   -7   15   16 o  261.785   11.983 28100.21  2547.22 29738.17  4776.91 27449.42  3011.01  265.221   22.391  257.775   14.444 7.446991 26.64579 
1 1 1   -7   15   17 f  126.646   9.5888  6609.28  978.723 10140.26  2216.50  5754.07  1090.83  154.567   17.998  117.707   11.563 36.86028 21.39199 
1 1 1   -7   15   18 f  132.884   10.086  7311.59  1080.14  8373.75  2694.64  7108.25  1179.01  135.914   25.350  130.711   11.217 5.203110 27.72079 
1 1 1   -7   15   19 o   21.494   10.522 -1168.9260  616.273  1044.15  2119.58 -1373.2889  644.099   63.416   25.930   21.168   10.440 42.24839 27.95303 
1 1 1   -7   15   20 o   82.137   13.975  2929.00  898.657  662.428  2646.37  3224.44  955.432   64.444   27.792   86.206   14.140 -21.76179 31.18259 
1 1 1   -7   15   21 o  100.506   12.836  4354.21  1023.63  1024.78  2649.97  4938.12  1109.76   65.063   27.932  107.022   13.040 -41.95910 30.82636 
1 1 1   -7   15   22 o   75.128   17.126  2623.62  1021.48  3925.65  2725.79  2410.89  1101.77   83.369   30.653   71.194   18.786 12.17464 35.95168 
1 1 1   -7   15   23 o  102.550   9.0130  4472.84  742.869  5013.48  907.320  3373.43  1293.86  107.762   10.503   82.239   19.646 25.52271 22.27700 
1 1 1   -7   15   24 o   64.491   10.291  1847.48  520.750  1588.61  557.996  3594.68  1449.64   58.779   12.095   80.106   21.734 -21.32705 24.87298 
1 1 1   -7   15   25 o   41.053   11.987  805.527  424.467  805.527  424.467   0.0000   0.0000   41.053   11.987  ?   ?  0.000000 11.98654 
1 1 1   -7   17    1 o  129.211   8.8222  6814.40  920.050  6315.31  1639.53  7043.81  1111.57  123.439   16.794  131.233   10.520 -7.794357 19.81689 
1 1 1   -7   17    2 o  420.941   17.647 72151.63  6031.51 77867.82 10474.03 69315.66  7377.52  435.100   29.827  411.644   22.154 23.45581 37.15476 
1 1 1   -7   17    3 o  856.514   41.356 303279.31 28761.54 328074.69 40739.36 278640.09 40610.86  881.999   57.195  809.767   62.242 72.23193 84.52966 
1 1 1   -7   17    4 f  932.785   45.609 362326.91 34543.99 366000.31 48928.96 358676.41 48776.56  923.201   65.701  913.492   66.210 9.708557 93.27643 
1 1 1   -7   17    5 o  660.311   32.347 179718.80 17342.95 183687.70 24621.89 175810.70 24432.48  660.971   46.168  646.236   46.882 14.73511 65.79771 
1 1 1   -7   17    6 o  275.327   15.144 30991.09  3372.50 32219.83  4875.06 29863.37  4670.38  279.759   21.629  269.288   21.540 10.47061 30.52554 
1 1 1   -7   17    7 o  457.157   23.115 85976.70  8552.27 86638.14 12198.18 85337.23 11993.88  455.775   33.189  452.437   32.873 3.337372 46.71382 
1 1 1   -7   17    8 o  134.278   16.648  7475.85  1776.22  7475.85  1776.22   0.0000   0.0000  134.278   16.648  ?   ?  0.000000 16.64821 
1 1 1   -7   17    9 o  180.768   8.9872 13292.59  1319.12 14003.01  2577.67 13040.53  1535.41  184.229   17.439  178.661   10.632 5.567551 20.42484 
1 1 1   -7   17   10 o  206.377   9.6549 17335.64  1617.89 17831.00  3105.39 17151.09  1895.45  207.782   18.603  204.854   11.441 2.927826 21.83996 
1 1 1   -7   17   11 o  499.575   20.092 102595.90  8150.18 103106.80 14420.63 102356.20  9879.35  492.782   36.296  497.507   24.456 -4.725159 43.76655 
1 1 1   -7   17   12 o  318.801   13.663 41537.02  3536.73 41318.59  6457.34 41630.64  4227.15  314.422   25.513  318.283   16.413 -3.860596 30.33630 
1 1 1   -7   17   13 o  702.797   28.698 207367.59 16376.20 207673.00 28698.82 207220.20 19941.48  676.010   52.701  695.820   35.413 -19.81042 63.49358 
1 1 1   -7   17   14 o  345.587   14.840 49015.91  4164.18 47497.23  7559.92 49677.39  4989.30  334.524   28.093  346.664   17.785 -12.13998 33.24913 
1 1 1   -7   17   15 o  142.236   8.9638  8288.50  1029.95  8406.62  2153.69  8253.48  1172.74  140.992   19.321  141.736   10.260 -0.7445984 21.87597 
1 1 1   -7   17   16 o  118.413   9.4466  5775.38  900.708  6305.89  2340.44  5683.15  975.869  119.253   24.971  117.288   10.353 1.965073 27.03238 
1 1 1   -7   17   17 o  309.177   14.284 39832.27  3585.92 38817.16  6697.31 40240.24  4245.79  293.256   28.486  308.693   17.005 -15.43631 33.17540 
1 1 1   -7   17   18 o  117.195   10.968  5733.77  1031.55  5323.03  2422.12  5824.77  1140.12  105.952   27.805  117.787   12.093 -11.83422 30.32045 
1 1 1   -7   17   19 f   51.969   16.654  1148.51  795.490  1685.52  2152.98  1063.61  856.067   68.222   26.722   50.959   17.318 17.26330 31.84321 
1 1 1   -7   17   20 o  120.846   12.450  6225.11  1204.13  5217.02  3345.70  6375.12  1290.61   97.744   34.193  121.931   13.249 -24.18738 36.66977 
1 1 1   -7   17   21 o   52.732   17.458  1224.31  870.465  3698.10  2658.80  927.333  921.235   83.086   30.315   48.530   17.824 34.55577 35.16688 
1 1 1   -7   17   22 o   81.041   16.758  3070.48  1066.31  1082.65  3714.60  3248.99  1113.16   66.784   30.549   83.242   17.043 -16.45801 34.98145 
1 1 1   -7   17   23 o  108.305   22.305  6253.98  1896.23   0.0000   0.0000  6253.98  1896.23  ?   ?   108.305   22.305 0.000000 22.30546 
1 1 1   -7   17   24 o   49.917   20.842  1182.52  1408.52   0.0000   0.0000  1182.52  1408.52  ?   ?    49.917   20.842 0.000000 20.84192 
1 1 1   -7   19    1 o  292.762   13.430 34896.13  3192.59 37125.73  5618.10 33832.71  3879.96  300.244   23.226  287.565   16.689 12.67804 28.59977 
1 1 1   -7   19    2 o  444.477   18.705 80672.20  6750.79 96257.64 11754.99 73002.36  8246.24  482.395   30.163  421.326   24.206 61.06918 38.67452 
1 1 1   -7   19    3 o  643.662   25.681 170171.70 13421.75 165903.80 23256.35 172303.09 16434.97  626.046   46.074  645.852   31.340 -19.80621 55.72289 
1 1 1   -7   19    4 o  571.624   28.448 134721.91 13203.81 138132.50 18773.44 131383.20 18574.16  572.979   40.615  558.430   41.256 14.54956 57.89361 
1 1 1   -7   19    5 o  272.879   15.338 30472.57  3384.71 33317.89  4909.45 27895.02  4672.73  284.343   21.422  259.853   22.364 24.48999 30.96863 
1 1 1   -7   19    6 o  324.960   25.810 43760.63  6753.99 43760.63  6753.99   0.0000   0.0000  324.960   25.810  ?   ?  0.000000 25.80974 
1 1 1   -7   19    7 o  272.391   15.587 30393.65  3433.08 28831.52  4997.50 31789.61  4724.23  263.744   23.585  277.582   21.119 -13.83884 31.65863 
1 1 1   -7   19    8 o  223.277   13.653 20411.97  2463.33 19304.04  3625.31 21362.23  3357.45  215.853   20.948  227.683   18.316 -11.83000 27.82650 
1 1 1   -7   19    9 o  152.946   7.5593  9512.50  938.772 13404.51  2011.66  8428.94  1061.44  180.693   13.816  143.628   9.1492 37.06493 16.57070 
1 1 1   -7   19   10 o  116.161   7.3238  5509.26  687.238  6935.16  1563.98  5168.06  765.057  129.354   15.179  112.382   8.4459 16.97262 17.37062 
1 1 1   -7   19   11 o  409.568   17.026 68823.42  5662.13 68182.80 10200.00 69108.73  6807.28  401.474   31.544  408.943   20.566 -7.469635 37.65635 
1 1 1   -7   19   12 o  162.726   9.0420 10820.10  1189.99 11346.17  2530.67 10670.76  1348.36  164.830   19.273  161.435   10.341 3.395004 21.87161 
1 1 1   -7   19   13 o  258.764   11.899 27375.23  2499.99 25589.48  4804.79 28038.15  2927.47  246.370   24.337  261.198   13.853 -14.82777 28.00316 
1 1 1   -7   19   14 o  546.441   22.883 125281.70 10153.02 122511.00 18057.72 126562.40 12277.44  517.958   43.335  544.386   27.869 -26.42877 51.52287 
1 1 1   -7   19   15 o  187.054   10.469 14388.11  1583.72 13146.11  3594.89 14687.22  1764.14  173.005   26.430  188.730   11.568 -15.72495 28.85031 
1 1 1   -7   19   16 o  170.114   10.325 11944.78  1419.37 13047.17  3352.65 11704.05  1566.70  171.537   24.790  168.037   11.553 3.500229 27.34986 
1 1 1   -7   19   17 o   67.015   12.371  1922.35  648.333  697.646  1967.84  2071.48  686.671   59.653   24.748   69.561   12.622 -9.908497 27.78073 
1 1 1   -7   19   18 o  133.934   11.230  7511.00  1210.01  6442.56  3148.97  7696.08  1310.63  112.551   32.587  135.276   12.059 -22.72543 34.74616 
1 1 1   -7   19   19 o   53.694   17.042  1251.17  834.543  2532.20  2670.10  1112.48  878.558   76.834   29.852   51.654   17.544 25.18060 34.62567 
1 1 1   -7   19   20 f   65.471   16.554  1954.01  880.514  727.066  3009.19  2068.90  920.816   65.458   28.898   67.268   16.885 -1.810417 33.46935 
1 1 1   -7   19   21 o   62.628   18.281  1855.75  987.457  2708.63  2800.06  1734.61  1055.25   73.509   29.901   60.610   19.156 12.89911 35.51085 
1 1 1   -7   19   22 o   37.194   16.648 -132.0837  1034.35   0.0000   0.0000 -132.0837  1034.35  ?   ?    37.194   16.648 0.000000 16.64846 
1 1 1   -7   19   23 o   52.832   21.319  1360.07  1410.80   0.0000   0.0000  1360.07  1410.80  ?   ?    52.832   21.319 0.000000 21.31919 
1 1 1   -7   21    1 o  112.141   12.467  5184.96  1115.93   0.0000   0.0000  5184.96  1115.93  ?   ?   112.141   12.467 0.000000 12.46668 
1 1 1   -7   21    2 o  322.519   14.542 42422.82  3808.22 40074.09  6681.77 43552.84  4634.65  310.689   26.747  325.980   17.575 -15.29092 32.00472 
1 1 1   -7   21    3 o  318.582   14.733 41404.25  3811.05 38801.65  6636.12 42685.01  4655.27  305.539   27.028  322.628   17.840 -17.08884 32.38476 
1 1 1   -7   21    4 o  177.388   19.292 13033.19  2733.92 13033.19  2733.92   0.0000   0.0000  177.388   19.292  ?   ?  0.000000 19.29223 
1 1 1   -7   21    5 o  174.655   19.355 12646.54  2698.60 12646.54  2698.60   0.0000   0.0000  174.655   19.355  ?   ?  0.000000 19.35452 
1 1 1   -7   21    6 f   34.762   13.087  358.384  502.459 -141.1913  933.282  562.289  596.247   37.853   16.414   40.290   14.402 -2.436054 21.83674 
1 1 1   -7   21    7 o  145.408   12.074  8678.03  1412.69  9530.12  2191.26  8071.98  1848.01  151.451   18.182  139.494   16.645 11.95723 24.65038 
1 1 1   -7   21    8 o  652.747   33.442 179391.59 17664.88 174385.80 25187.18 184237.50 24781.60  630.276   49.618  650.150   47.267 -19.87463 68.52808 
1 1 1   -7   21    9 o  197.422   12.952 15981.70  2064.70 19110.79  3164.05 13661.13  2724.78  214.978   18.301  181.410   18.770 33.56813 26.21485 
1 1 1   -7   21   10 o  172.425   8.2456 12101.55  1154.41 15690.54  2521.00 11149.31  1298.55  194.984   16.066  165.134   9.7276 29.84987 18.78186 
1 1 1   -7   21   11 o  235.251   11.963 22665.97  2277.62 18550.63  4479.48 24100.86  2645.05  208.887   27.046  242.319   13.497 -33.43205 30.22635 
1 1 1   -7   21   12 o  376.059   16.077 58185.70  4909.13 54969.70  9043.89 59529.11  5845.22  357.716   31.457  378.910   19.060 -21.19409 36.78054 
1 1 1   -7   21   13 o  170.828   9.2575 11949.45  1279.29 13321.50  2865.35 11607.86  1429.69  177.690   20.220  168.150   10.524 9.540253 22.79490 
1 1 1   -7   21   14 o  180.827   9.4418 13418.98  1381.48 20931.96  3206.31 11706.29  1530.87  223.181   17.843  168.468   11.256 54.71275 21.09638 
1 1 1   -7   21   15 o   78.750   10.196  2590.53  636.659 -386.3717  2560.34  2786.73  657.304   60.110   26.591   81.740   10.120 -21.62948 28.45126 
1 1 1   -7   21   16 o   62.224   12.487  1663.72  608.960 -218.9443  2225.09  1816.15  633.132   56.482   24.897   65.092   12.433 -8.609932 27.82854 
1 1 1   -7   21   17 o  127.370   10.480  6766.23  1074.21  5962.82  3360.47  6857.66  1133.69  107.928   34.192  128.059   11.010 -20.13035 35.92067 
1 1 1   -7   21   18 o   95.583   12.929  3914.33  977.642  1667.17  2850.16  4213.98  1040.79   72.001   29.820   99.098   13.268 -27.09737 32.63813 
1 1 1   -7   21   19 o   40.887   16.022  497.298  774.218 -74.8424  3316.76  530.269  796.214   64.360   29.217   41.685   16.272 22.67499 33.44305 
1 1 1   -7   21   20 o   71.310   18.686  2410.38  1095.01  1197.35  3803.31  2520.01  1143.43   70.015   31.582   72.725   19.113 -2.709755 36.91566 
1 1 1   -7   21   21 o   70.895   18.736  2466.89  1094.77   0.0000   0.0000  2466.89  1094.77  ?   ?    70.895   18.736 0.000000 18.73561 
1 1 1   -7   21   22 o   55.064   23.187  1353.52  1766.54   0.0000   0.0000  1353.52  1766.54  ?   ?    55.064   23.187 0.000000 23.18749 
1 1 1   -7   21   23 o   32.240   15.991 -2446.4880  1589.54   0.0000   0.0000 -2446.4880  1589.54  ?   ?    32.240   15.991 0.000000 15.99061 
1 1 1   -7   23    1 o  370.926   29.768 57466.66  8890.05   0.0000   0.0000 57466.66  8890.05  ?   ?   370.926   29.768 0.000000 29.76822 
1 1 1   -7   23    2 o  505.668   26.922 106058.70 11013.94 94350.52 15608.87 117669.00 15543.46  470.136   41.308  528.130   36.470 -57.99374 55.10396 
1 1 1   -7   23    3 o  122.078   11.314  6122.75  1108.71  6414.90  1953.89  5984.02  1346.47  123.475   20.186  120.282   14.052 3.193077 24.59550 
1 1 1   -7   23    4 o  197.980   12.068 16036.94  1930.78 14913.33  3364.10 16588.86  2357.78  189.077   22.344  201.027   14.543 -11.94968 26.66025 
1 1 1   -7   23    5 o  421.834   22.482 73527.78  7672.78 74539.86 11058.71 72588.35 10654.47  420.726   32.627  415.515   31.821 5.211151 45.57545 
1 1 1   -7   23    6 o  369.372   20.449 56293.01  6109.24 54244.31  8869.88 58142.10  8426.69  358.974   30.727  372.817   28.042 -13.84290 41.59965 
1 1 1   -7   23    7 o  467.349   24.674 90768.23  9329.91 89918.73 13472.09 91551.16 12933.36  458.983   36.449  464.291   34.554 -5.307465 50.22511 
1 1 1   -7   23    8 o  332.891   19.211 45760.30  5170.57 41859.75  7607.23 49109.59  7049.19  314.463   30.163  342.742   25.513 -28.27963 39.50604 
1 1 1   -7   23    9 o  163.070   13.301 10946.12  1745.84 10875.38  2830.47 10989.55  2218.02  160.575   22.312  162.688   17.044 -2.112411 28.07705 
1 1 1   -7   23   10 o  271.451   12.620 30142.03  2781.65 27577.55  5468.37 31037.23  3230.89  255.046   26.807  274.744   14.535 -19.69714 30.49377 
1 1 1   -7   23   11 o   98.990   8.5755  4024.64  682.459  1723.93  1999.32  4328.06  726.068   70.984   26.226  102.651   8.7961 -31.66711 27.66205 
1 1 1   -7   23   12 o  276.838   11.818 31435.97  2656.40 35573.49  5317.10 30059.77  3066.52  289.702   22.788  269.792   14.047 19.90939 26.76954 
1 1 1   -7   23   13 o   94.238   8.8146  3664.12  666.642  1736.11  2731.51  3786.23  687.429   76.098   30.008   95.787   8.9420 -19.68896 31.31217 
1 1 1   -7   23   14 o  271.002   13.648 30595.55  2993.56 30661.85  6264.03 30575.93  3407.90  258.872   30.379  269.858   15.620 -10.98611 34.15892 
1 1 1   -7   23   15 o   61.827   13.031  1649.61  633.546  3359.35  2394.23  1520.88  656.964   86.145   28.963   59.177   13.908 26.96798 32.12881 
1 1 1   -7   23   16 o  183.780   11.622 14115.55  1725.29 11764.98  4524.93 14515.40  1866.28  149.009   37.444  185.996   12.429 -36.98633 39.45322 
1 1 1   -7   23   17 o  159.028   11.557 10633.42  1482.14  7515.43  4334.99 11046.15  1577.18  114.234   38.969  161.841   12.089 -47.60638 40.80111 
1 1 1   -7   23   18 o  140.073   11.021  8283.98  1243.37 11701.89  3835.20  7882.55  1314.36  147.163   32.920  136.128   12.014 11.03484 35.04376 
1 1 1   -7   23   19 o  117.651   13.130  6019.92  1232.94  9572.56  4532.63  5736.04  1281.26  117.084   39.848  114.242   14.113 2.841980 42.27308 
1 1 1   -7   23   20 o   43.451   19.669 -246.4914  1490.39 -1561.5900  4404.02 -76.3986  1583.84   61.240   29.545   45.711   20.521 15.52904 35.97227 
1 1 1   -7   23   21 o   62.297   23.373  2107.34  1599.98   0.0000   0.0000  2107.34  1599.98  ?   ?    62.297   23.373 0.000000 23.37291 
1 1 1   -7   23   22 o   84.704   28.166  5338.77  2264.93   0.0000   0.0000  5338.77  2264.93  ?   ?    84.704   28.166 0.000000 28.16614 
1 1 1   -7   25    1 o  282.481   17.588 32837.11  4014.15   0.0000   0.0000 32837.11  4014.15  ?   ?   282.481   17.588 0.000000 17.58840 
1 1 1   -7   25    2 o  154.350   14.915  9830.64  1846.02   0.0000   0.0000  9830.64  1846.02  ?   ?   154.350   14.915 0.000000 14.91548 
1 1 1   -7   25    3 o  216.095   12.978 19132.58  2266.57 18535.98  4069.48 19400.89  2729.05  210.299   24.278  217.178   15.579 -6.878342 28.84709 
1 1 1   -7   25    4 o  168.232   12.547 11616.44  1701.55 11195.13  3019.24 11812.54  2059.82  162.919   23.504  169.238   15.150 -6.319550 27.96330 
1 1 1   -7   25    5 o  215.258   13.291 19004.90  2311.73 19637.17  4058.68 18701.28  2812.53  216.555   23.457  212.961   16.391 3.594147 28.61658 
1 1 1   -7   25    6 o  470.080   25.321 92222.09  9629.08 91108.80 13938.19 93238.53 13318.13  459.771   37.666  466.699   35.409 -6.928040 51.69704 
1 1 1   -7   25    7 o  327.011   19.042 44228.59  5034.24 44764.54  7493.36 43787.68  6796.53  325.272   28.665  322.765   26.159 2.506195 38.80674 
1 1 1   -7   25    8 o  179.754   14.497 13332.85  2097.94 12840.44  3299.57 13667.00  2718.12  173.970   23.997  181.041   18.763 -7.070587 30.46189 
1 1 1   -7   25    9 o  413.501   23.853 71825.92  7974.62 63082.58 11710.73 79386.15 10889.61  377.235   38.785  429.589   31.437 -52.35352 49.92582 
1 1 1   -7   25   10 o  202.474   10.561 16814.88  1730.26 19590.36  3938.82 16151.24  1926.04  214.759   22.943  198.127   12.029 16.63190 25.90539 
1 1 1   -7   25   11 o  136.097   8.2870  7592.49  911.405 10045.05  2458.79  7201.84  981.310  153.394   20.235  132.389   9.1857 21.00508 22.22245 
1 1 1   -7   25   12 o  226.648   11.297 21151.33  2079.09 22848.51  4837.30 20766.77  2302.62  227.190   26.734  223.818   12.723 3.371994 29.60709 
1 1 1   -7   25   13 o  135.275   9.8370  7565.73  1073.09  5471.88  3578.42  7772.62  1124.86  106.895   35.397  137.035   10.182 -30.14041 36.83208 
1 1 1   -7   25   14 o  120.277   9.6192  5998.35  931.560  8387.64  3547.29  5821.37  965.446  129.978   33.424  118.340   10.146 11.63812 34.92991 
1 1 1   -7   25   15 o  190.121   11.061 15072.79  1700.13 16819.48  4746.73 14815.74  1820.93  183.588   33.059  188.057   11.988 -4.469833 35.16506 
1 1 1   -7   25   16 o  110.086   11.275  5113.97  993.607  3642.73  3501.78  5242.79  1036.19   87.694   34.155  111.343   11.633 -23.64899 36.08149 
1 1 1   -7   25   17 o  101.849   18.722  4734.04  1491.19  2136.30  3721.21  5231.00  1627.59   77.252   33.131  106.700   19.505 -29.44820 38.44598 
1 1 1   -7   25   18 o  108.220   19.548  5492.68  1654.47  4970.82  4146.74  5591.48  1804.31   89.766   36.435  107.846   21.360 -18.08018 42.23498 
1 1 1   -7   25   19 o   49.465   20.368  758.632  1319.21  9353.64  4924.42   94.110  1369.26  104.376   40.544   44.343   19.539 60.03296 45.00666 
1 1 1   -7   25   20 o   24.869   12.245 -1601.2531  873.714   0.0000   0.0000 -1601.2531  873.714  ?   ?    24.869   12.245 0.000000 12.24454 
1 1 1   -7   25   21 o   55.386   22.801  1670.83  1652.90   0.0000   0.0000  1670.83  1652.90  ?   ?    55.386   22.801 0.000000 22.80147 
1 1 1   -7   27    1 o  330.407   29.580 46197.17  7851.65   0.0000   0.0000 46197.17  7851.65  ?   ?   330.407   29.580 0.000000 29.57969 
1 1 1   -7   27    2 o  226.168   26.552 21629.02  4783.31   0.0000   0.0000 21629.02  4783.31  ?   ?   226.168   26.552 0.000000 26.55227 
1 1 1   -7   27    3 o  113.825   18.373  5464.30  1640.26   0.0000   0.0000  5464.30  1640.26  ?   ?   113.825   18.373 0.000000 18.37327 
1 1 1   -7   27    4 o   62.837   20.982  1548.57  1256.47   0.0000   0.0000  1548.57  1256.47  ?   ?    62.837   20.982 0.000000 20.98194 
1 1 1   -7   27    5 o  162.945   16.909 11039.20  2204.53   0.0000   0.0000 11039.20  2204.53  ?   ?   162.945   16.909 0.000000 16.90856 
1 1 1   -7   27    6 o  306.585   16.551 38820.37  4104.95 42608.74  7321.88 37083.77  4957.31  315.939   28.860  298.240   20.597 17.69910 35.45674 
1 1 1   -7   27    7 o  189.493   16.266 14914.05  2478.42 13264.83  4128.16 15843.51  3099.09  173.859   30.347  194.288   19.927 -20.42853 36.30451 
1 1 1   -7   27    8 o  366.498   21.691 56550.20  6426.19 56232.28  9661.49 56802.45  8605.84  356.647   33.765  361.897   29.544 -5.250092 44.86602 
1 1 1   -7   27    9 f  146.822   15.704  9035.39  1843.08  7544.83  3216.75  9763.87  2248.81  128.607   31.137  151.753   18.643 -23.14532 36.29161 
1 1 1   -7   27   10 o  309.134   19.629 40536.75  4901.44 40387.37  7580.79 40644.05  6425.06  298.571   31.758  304.508   26.242 -5.936737 41.19716 
1 1 1   -7   27   11 o   52.059   10.599  1155.35  432.785  8279.02  2952.31  998.902  437.512  134.232   27.994   48.259   11.355 85.97330 30.20908 
1 1 1   -7   27   12 o   62.772   9.9320  1661.32  489.378 -3509.1841  3103.99  1793.12  495.576   52.979   25.362   65.334   9.6306 -12.35495 27.12887 
1 1 1   -7   27   13 o  157.125   10.361 10254.25  1314.44  7987.28  3869.54 10549.95  1397.55  124.086   36.180  159.203   10.876 -35.11697 37.77936 
1 1 1   -7   27   14 o   34.685   12.957  394.041  490.703  2658.17  2856.71  325.206  498.107   79.855   30.919   33.550   12.933 46.30508 33.51507 
1 1 1   -7   27   15 o  127.826   17.926  7256.92  1809.34 11643.14  4662.56  6479.31  1963.18  141.499   39.221  118.758   21.134 22.74078 44.55276 
1 1 1   -7   27   16 o   81.254   22.281  3178.55  1514.06  1021.81  3814.51  3581.88  1649.57   72.059   32.133   85.813   23.144 -13.75325 39.60011 
1 1 1   -7   27   17 o   68.368   14.935  2115.72  805.896  1918.55  4857.53  2121.30  817.222   76.792   35.053   68.384   15.120 8.407898 38.17437 
1 1 1   -7   27   18 o  125.987   13.540  7035.55  1363.38 11022.87  5053.08  6722.49  1415.89  112.379   41.659  122.366   14.535 -9.987473 44.12218 
1 1 1   -7   27   19 o  138.903   13.928  8778.41  1549.66   0.0000   0.0000  8778.41  1549.66  ?   ?   138.903   13.928 0.000000 13.92764 
1 1 1   -7   27   20 o   79.388   25.516  4142.19  1866.27   0.0000   0.0000  4142.19  1866.27  ?   ?    79.388   25.516 0.000000 25.51571 
1 1 1   -7   29    1 o  353.630   21.869 52346.93  6248.61   0.0000   0.0000 52346.93  6248.61  ?   ?   353.630   21.869 0.000000 21.86920 
1 1 1   -7   29    2 o  343.627   21.352 49407.57  5928.12   0.0000   0.0000 49407.57  5928.12  ?   ?   343.627   21.352 0.000000 21.35234 
1 1 1   -7   29    3 o  154.917   32.040 10692.91  3897.21   0.0000   0.0000 10692.91  3897.21  ?   ?   154.917   32.040 0.000000 32.04005 
1 1 1   -7   29    4 f  111.508   26.715  5490.71  2387.03  8966.74  3336.50  1846.05  3416.47  142.028   29.879   83.493   33.357 58.53468 44.78213 
1 1 1   -7   29    5 o  213.815   22.056 19422.92  3774.16 19401.01  5175.13 19447.82  5516.10  209.119   31.452  208.053   33.814 1.065140 46.18017 
1 1 1   -7   29    6 o  137.993   26.547  8429.43  2866.50  9752.49  3728.68  6517.58  4482.23  146.155   32.281  119.277   39.621 26.87855 51.10688 
1 1 1   -7   29    7 o  287.744   39.313 39110.84  8944.69   0.0000   0.0000 39110.84  8944.69  ?   ?   287.744   39.313 0.000000 39.31286 
1 1 1   -7   29   10 o  252.512   24.543 28387.33  4968.49   0.0000   0.0000 28387.33  4968.49  ?   ?   252.512   24.543 0.000000 24.54297 
1 1 1   -7   29   11 o  152.855   20.141 10271.67  2438.90   0.0000   0.0000 10271.67  2438.90  ?   ?   152.855   20.141 0.000000 20.14108 
1 1 1   -7   29   12 o  162.986   20.405 11791.30  2641.20   0.0000   0.0000 11791.30  2641.20  ?   ?   162.986   20.405 0.000000 20.40500 
1 1 1   -7   29   13 o  109.094   20.484  5414.04  1747.87   0.0000   0.0000  5414.04  1747.87  ?   ?   109.094   20.484 0.000000 20.48422 
1 1 1   -7   29   14 o  123.985   10.760  6474.75  1072.47   0.0000   0.0000  6474.75  1072.47  ?   ?   123.985   10.760 0.000000 10.75978 
1 1 1   -7   29   15 o   66.729   13.858  1977.16  726.313  5587.50  3951.72  1850.94  738.901   96.096   36.578   64.298   14.499 31.79755 39.34641 
1 1 1   -7   29   16 o  156.023   12.251 10498.81  1539.50 10133.36  5507.10 10529.79  1603.43  110.423   42.881  155.854   12.783 -45.43078 44.74546 
1 1 1   -7   29   17 o  121.135   12.253  6431.16  1188.58  5850.71  5669.26  6457.85  1215.59   83.958   38.147  121.185   12.535 -37.22639 40.15351 
1 1 1   -7   29   18 o   54.929   17.557  1487.50  884.506   0.0000   0.0000  1487.50  884.506  ?   ?    54.929   17.557 0.000000 17.55663 
1 1 1   -7   29   19 o   67.248   26.504  3213.54  2129.64   0.0000   0.0000  3213.54  2129.64  ?   ?    67.248   26.504 0.000000 26.50363 
1 1 1   -7   31    1 o  262.765   20.201 29291.05  4277.08   0.0000   0.0000 29291.05  4277.08  ?   ?   262.765   20.201 0.000000 20.20141 
1 1 1   -7   31    2 o  226.230   19.663 21723.00  3576.08   0.0000   0.0000 21723.00  3576.08  ?   ?   226.230   19.663 0.000000 19.66342 
1 1 1   -7   31    3 o  223.318   20.040 21244.39  3595.16   0.0000   0.0000 21244.39  3595.16  ?   ?   223.318   20.040 0.000000 20.04027 
1 1 1   -7   31    4 o  434.192   21.203 80379.12  7474.98 108288.10 13899.51 69023.11  8866.26  482.419   35.739  394.873   27.831 87.54611 45.29708 
1 1 1   -7   31    5 o  217.279   17.160 19954.25  3002.82 24066.95  5936.84 18540.42  3480.91  227.508   33.109  207.405   20.957 20.10324 39.18456 
1 1 1   -7   31    6 o  182.709   17.586 14212.15  2576.76 16451.78  5115.09 13450.52  2982.90  184.908   35.358  175.822   21.331 9.085876 41.29369 
1 1 1   -7   31    7 o  341.784   19.182 50041.02  5301.73 54872.66  9829.90 48058.95  6295.96  336.063   36.616  330.535   23.614 5.527771 43.57063 
1 1 1   -7   31    8 o  155.929   19.595 10596.00  2426.13 15381.89  4935.28  9070.89  2786.00  175.945   35.765  141.025   25.258 34.92052 43.78439 
1 1 1   -7   31    9 o  295.257   21.577 38417.39  5137.12 39573.80  8447.63 37738.80  6471.14  277.689   38.502  284.723   28.369 -7.033813 47.82465 
1 1 1   -7   31   10 o   32.926   15.616 -1238.7581  1121.54 -1539.0090  3563.64 -1205.7500  1181.59   63.290   29.299   34.299   16.195 28.99051 33.47665 
1 1 1   -7   31   11 o   56.391   21.615  1116.82  1386.06 -926.7941  4059.65  1386.48  1474.68   68.709   31.615   60.120   22.462 8.588696 38.78223 
1 1 1   -7   31   12 o  119.304   11.795  6032.73  1127.60  3137.90  4351.38  6241.12  1167.48   86.088   36.329  121.270   12.015 -35.18174 38.26456 
1 1 1   -7   31   13 o  117.416   12.039  5886.79  1131.52  327.279  5215.24  6161.43  1159.13   76.294   35.363  120.145   12.044 -43.85058 37.35745 
1 1 1   -7   31   14 o  207.732   16.607 19272.25  2777.75 15965.21  7300.00 19832.14  3003.70  130.020   49.661  209.296   17.845 -79.27609 52.77005 
1 1 1   -7   31   15 o   21.671   10.584 -1066.7679  612.980 -314.6137  4767.69 -1079.4100  618.110   67.232   31.975   21.735   10.618 45.49697 33.69225 
1 1 1   -7   31   16 o   68.552   17.319  2278.38  964.310  4140.80  5574.30  2220.93  979.072   76.431   35.801   67.468   17.664 8.963104 39.92134 
1 1 1   -7   31   17 o   39.282   15.815  513.857  774.415   0.0000   0.0000  513.857  774.415  ?   ?    39.282   15.815 0.000000 15.81493 
1 1 1   -7   33    1 o  176.034   21.086 13522.58  2953.89   0.0000   0.0000 13522.58  2953.89  ?   ?   176.034   21.086 0.000000 21.08581 
1 1 1   -7   33    2 o   79.069   26.265  2741.29  1969.70   0.0000   0.0000  2741.29  1969.70  ?   ?    79.069   26.265 0.000000 26.26515 
1 1 1   -7   33    3 o  223.314   28.912 22997.27  5119.32   0.0000   0.0000 22997.27  5119.32  ?   ?   223.314   28.912 0.000000 28.91184 
1 1 1   -7   33    4 o  252.530   29.443 29621.05  5923.75   0.0000   0.0000 29621.05  5923.75  ?   ?   252.530   29.443 0.000000 29.44259 
1 1 1   -7   33    5 o   64.793   24.730  1488.35  1809.48  5639.56  4291.65  590.838  1995.52  106.438   38.564   58.997   24.733 47.44090 45.81408 
1 1 1   -7   33    6 o  129.620   24.428  7714.94  2476.62  1960.43  5274.50  9342.49  2805.08   89.188   38.847  142.456   25.171 -53.26834 46.28917 
1 1 1   -7   33    7 o   81.923   23.184  3099.38  1611.59  6008.37  4607.68  2693.91  1720.24  106.891   39.750   76.870   24.475 30.02100 46.68092 
1 1 1   -7   33    8 o   72.709   24.745  2362.44  1747.87  9163.24  4933.89  1386.45  1869.09  125.387   41.565   63.486   24.890 61.90118 48.44788 
1 1 1   -7   33    9 o   85.082   25.397  3473.80  1888.25  8969.18  5308.60  2677.82  2020.38  120.329   42.977   76.323   26.578 44.00670 50.53170 
1 1 1   -7   33   10 o  239.253   23.492 26682.32  4504.84 21403.91  8655.06 28643.60  5275.80  160.607   55.062  242.770   27.234 -82.16248 61.42853 
1 1 1   -7   33   11 f  155.118   10.747 10140.95  1345.25 15318.58  5767.24  9843.03  1383.41  150.511   44.251  152.546   11.248 -2.035110 45.65830 
1 1 1   -7   33   12 o   54.010   11.282  1276.37  478.786 -2629.9150  5685.60  1304.27  480.493   68.928   33.331   54.632   11.208 14.29603 35.16452 
1 1 1   -7   33   13 o   45.788   12.605  934.023  483.438  4138.16  4998.69  903.771  485.715   83.115   36.941   45.077   12.718 38.03741 39.06919 
1 1 1   -7   33   14 o   16.973   8.2842 -661.9424  373.841  126.765  5092.94 -666.2151  374.852   67.262   32.275   16.976   8.2880 50.28555 33.32207 
1 1 1   -7   33   15 f   49.725   14.614  1161.82  629.110  948.915  6955.07  1163.57  631.699   67.859   33.620   49.754   14.650 18.10488 36.67336 
1 1 1   -7   33   16 o   38.972   17.965 -277.6933  1318.90   0.0000   0.0000 -277.6933  1318.90  ?   ?    38.972   17.965 0.000000 17.96461 
1 1 1   -7   35    1 f   88.010   32.344  3565.50  3034.31   0.0000   0.0000  3565.50  3034.31  ?   ?    88.010   32.344 0.000000 32.34389 
1 1 1   -7   35    2 o  149.398   33.809 11363.17  4005.55   0.0000   0.0000 11363.17  4005.55  ?   ?   149.398   33.809 0.000000 33.80901 
1 1 1   -7   35    3 o  109.357   27.069  5760.12  2390.70   0.0000   0.0000  5760.12  2390.70  ?   ?   109.357   27.069 0.000000 27.06908 
1 1 1   -7   35    4 o  116.586   29.172  6720.69  2754.82   0.0000   0.0000  6720.69  2754.82  ?   ?   116.586   29.172 0.000000 29.17210 
1 1 1   -7   35    5 o  122.829   28.983  7480.48  2843.90   0.0000   0.0000  7480.48  2843.90  ?   ?   122.829   28.983 0.000000 28.98287 
1 1 1   -7   35    6 o  164.234   23.865 12575.65  3089.38 13271.94  7366.99 12427.07  3403.06  133.814   50.163  160.397   27.095 -26.58243 57.01329 
1 1 1   -7   35    7 o   93.679   25.976  4327.53  2044.73  4201.82  6342.88  4342.11  2160.04   94.721   41.879   93.305   26.982 1.415459 49.81845 
1 1 1   -7   35    8 o   66.772   25.762  1832.80  1977.75  3804.30  6114.06  1602.40  2090.12   90.969   40.615   65.445   26.109 25.52374 48.28307 
1 1 1   -7   35    9 o   51.574   22.370  284.490  1734.39 -4372.1392  5210.82  864.645  1839.26   63.807   31.096   56.995   23.808 6.811783 39.16370 
1 1 1   -7   35   10 o   60.239   24.763  1254.26  1946.03 -4629.9258  7056.97  1738.54  2024.52   70.300   34.649   64.680   25.730 5.619499 43.15781 
1 1 1   -7   35   11 o   85.037   26.390  3920.96  2012.54  7619.61  6473.16  3525.18  2117.48   93.680   41.811   80.280   27.236 13.40044 49.89922 
1 1 1   -7   35   12 o   37.082   11.837  591.962  402.194  553.840  7583.68  592.070  402.761   73.391   36.124   37.089   11.846 36.30280 38.01649 
1 1 1   -7   35   13 o   29.364   12.167  160.278  474.755  6842.77  8022.06  136.791  475.589   77.849   38.078   29.017   12.113 48.83267 39.95779 
1 1 1   -7   35   14 o   65.362   12.513  1965.74  639.910   0.0000   0.0000  1965.74  639.910  ?   ?    65.362   12.513 0.000000 12.51312 
1 1 1   -7   35   15 o   43.913   20.730 -306.1236  1933.90   0.0000   0.0000 -306.1236  1933.90  ?   ?    43.913   20.730 0.000000 20.72977 
1 1 1   -7   37    1 o  106.613   33.035  6201.11  3154.87   0.0000   0.0000  6201.11  3154.87  ?   ?   106.613   33.035 0.000000 33.03452 
1 1 1   -7   37    2 o  134.472   32.455  9668.54  3503.23   0.0000   0.0000  9668.54  3503.23  ?   ?   134.472   32.455 0.000000 32.45535 
1 1 1   -7   37    3 o   49.215   22.929 -1274.3590  2236.84   0.0000   0.0000 -1274.3590  2236.84  ?   ?    49.215   22.929 0.000000 22.92884 
1 1 1   -7   37    4 o  208.759   28.832 22063.57  4756.81   0.0000   0.0000 22063.57  4756.81  ?   ?   208.759   28.832 0.000000 28.83241 
1 1 1   -7   37    5 o  128.186   31.060  8869.78  3198.88   0.0000   0.0000  8869.78  3198.88  ?   ?   128.186   31.060 0.000000 31.06011 
1 1 1   -7   37    6 o  385.586   28.435 76492.59  8839.83 97375.60 18439.69 70261.29 10072.72  264.476   79.462  348.156   36.159 -83.67972 87.30189 
1 1 1   -7   37    7 o  213.306   26.479 23188.66  4487.53 26400.13 11166.46 22570.10  4900.68  133.264   57.278  204.087   30.510 -70.82278 64.89744 
1 1 1   -7   37    8 o  120.306   30.919  8343.44  3036.67 13598.04  9363.81  7725.86  3210.17  103.325   47.712  112.481   32.999 -9.156471 58.01188 
1 1 1   -7   37    9 o  163.692   29.713 15177.82  3803.75 13806.69 10571.78 15381.72  4076.78   94.853   45.765  160.465   32.405 -65.61220 56.07603 
1 1 1   -7   37   10 o   68.340   26.687  2556.60  2142.28  304.255  9431.11  2679.14  2199.79   73.193   36.706   69.372   27.056 3.821060 45.59998 
1 1 1   -7   37   11 o   67.704   27.496  2743.11  2362.95  4363.96  8528.41  2608.34  2459.22   72.769   36.248   66.714   27.670 6.054810 45.60231 
1 1 1   -7   37   12 o   22.557   9.8413 -24.6189  339.765   0.0000   0.0000 -24.6189  339.765  ?   ?    22.557   9.8413 0.000000 9.841337 
1 1 1   -7   37   13 o   44.157   20.976 -463.0388  2040.06   0.0000   0.0000 -463.0388  2040.06  ?   ?    44.157   20.976 0.000000 20.97625 
1 1 1   -7   39    1 o  132.250   36.121 11026.26  3988.29   0.0000   0.0000 11026.26  3988.29  ?   ?   132.250   36.121 0.000000 36.12066 
1 1 1   -7   39    2 o  133.272   37.696 11709.91  4261.65   0.0000   0.0000 11709.91  4261.65  ?   ?   133.272   37.696 0.000000 37.69571 
1 1 1   -7   39    3 o  100.657   36.287  6949.82  3792.83   0.0000   0.0000  6949.82  3792.83  ?   ?   100.657   36.287 0.000000 36.28674 
1 1 1   -7   39    4 o   98.635   34.140  6408.59  3331.09   0.0000   0.0000  6408.59  3331.09  ?   ?    98.635   34.140 0.000000 34.13952 
1 1 1   -7   39    5 o  234.088   34.876 34118.94  6426.58   0.0000   0.0000 34118.94  6426.58  ?   ?   234.088   34.876 0.000000 34.87612 
1 1 1   -7   39    6 o  124.419   35.174 10553.68  3711.45   0.0000   0.0000 10553.68  3711.45  ?   ?   124.419   35.174 0.000000 35.17364 
1 1 1   -7   39    7 o   64.666   28.144  1958.65  2763.69 11823.77 11515.29  1355.68  2846.90   82.829   41.393   61.777   27.638 21.05207 49.77242 
1 1 1   -7   39    8 o   69.881   29.824  3140.08  2989.09 -237.1357 11797.01  3371.78  3089.92   69.833   35.648   71.119   30.337 -1.285782 46.80949 
1 1 1   -7   39    9 o   70.081   30.131  3634.86  3091.66 15629.27 12466.43  2848.81  3191.36   75.196   38.221   65.950   29.401 9.245735 48.22131 
1 1 1   -7   39   10 o   55.010   25.463  1091.48  2690.76   0.0000   0.0000  1091.48  2690.76  ?   ?    55.010   25.463 0.000000 25.46323 
1 1 1   -7   41    1 o   76.122   34.041  4675.55  4313.24   0.0000   0.0000  4675.55  4313.24  ?   ?    76.122   34.041 0.000000 34.04051 
1 1 1   -7   41    2 o   68.831   31.290  2902.75  3820.52   0.0000   0.0000  2902.75  3820.52  ?   ?    68.831   31.290 0.000000 31.28980 
1 1 1   -7   41    3 o   58.429   27.920   88.404  3725.37   0.0000   0.0000   88.404  3725.37  ?   ?    58.429   27.920 0.000000 27.92015 
1 1 1   -7   41    4 o   67.043   30.717  2918.73  3776.49   0.0000   0.0000  2918.73  3776.49  ?   ?    67.043   30.717 0.000000 30.71685 
1 1 1   -7   41    5 o   57.683   27.395  711.844  3476.11   0.0000   0.0000  711.844  3476.11  ?   ?    57.683   27.395 0.000000 27.39547 
1 1 1   -7   41    6 o   33.396   16.983 -6906.2231  2482.55   0.0000   0.0000 -6906.2231  2482.55  ?   ?    33.396   16.983 0.000000 16.98291 
1 1 1   -6    0    3 o   81.593   6.7837  2759.67  442.284  2602.40  621.817  2920.70  629.215   78.055   10.312   83.142   9.6608 -0.000000 0.000000 
1 1 1   -6    0    4 o  770.240   54.467 250545.91 33673.05   0.0000   0.0000 250545.91 33673.05  770.240   54.467  770.240   54.467 -0.000000 0.000000 
1 1 1   -6    0    5 o  261.390   13.620 27999.26  2872.72 28380.58  4057.90 27616.15  4067.39  261.952   19.320  258.256   19.659 -0.000000 0.000000 
1 1 1   -6    0    6 o   55.726   6.8254  1316.70  296.431  1165.75  421.094  1464.99  417.364   49.770   12.019   57.760   9.7280 0.000000 0.000000 
1 1 1   -6    0    7 o  426.086   21.060 74369.77  7245.34 73153.14 10249.90 75584.77 10243.02  420.495   30.385  427.674   29.830 0.000000 0.000000 
1 1 1   -6    0    8 o  1051.40   50.682 455629.19 43038.13 410476.50 60861.00 500794.09 60869.22  987.459   76.983  1095.89   69.034 -0.000000 0.000000 
1 1 1   -6    0    9 o   32.502   11.942  573.111  291.350  688.253  361.861  360.906  491.252   35.385   13.416   26.190   14.877 -0.000000 0.000000 
1 1 1   -6    0   10 o  670.289   32.443 184304.80 17562.73 171363.80 24827.97 197265.59 24846.95  641.939   48.260  690.541   44.745 -0.000000 0.000000 
1 1 1   -6    0   11 o  162.743   9.9825 10878.40  1307.74 13463.74  1891.87  8512.72  1809.71  180.637   13.055  142.006   16.245 0.000000 0.000000 
1 1 1   -6    0   12 o  239.479   18.798 23769.79  3603.40   0.0000   0.0000 23769.79  3603.40  239.479   18.798  239.479   18.798 -0.000000 0.000000 
1 1 1   -6    0   13 o  584.393   28.713 140780.09 13549.43 142669.41 19139.50 138882.00 19184.17  583.859   40.831  575.642   41.541 -0.000000 0.000000 
1 1 1   -6    0   14 o  108.858   9.0875  4915.19  790.352  3261.41  1154.51  6373.79  1084.25   83.419   19.620  123.773   10.988 0.000000 0.000000 
1 1 1   -6    0   15 o  361.314   18.410 53652.07  5369.06 53647.80  7560.70 53656.39  7625.71  359.045   26.257  358.995   26.493 -0.000000 0.000000 
1 1 1   -6    0   16 o  332.717   18.553 45606.32  4976.53 74063.38  6992.57 16399.70  7084.07  424.250   20.407  176.046   56.235 -0.000000 0.000000 
1 1 1   -6    0   17 o   53.408   15.506  1419.37  583.611  783.629  716.800  2669.56  1005.19   36.271   18.811   74.506   19.225 -0.000000 0.000000 
1 1 1   -6    0   18 o   78.698   12.589  2708.26  742.755  2503.60  953.941  3023.35  1183.68   71.933   18.903   78.522   21.473 -0.000000 0.000000 
1 1 1   -6    0   19 o  118.188   11.867  5868.48  1112.48  8221.40  2107.04  4959.04  1309.95  137.180   20.202  106.552   16.266 0.000000 0.000000 
1 1 1   -6    0   20 o   83.235   14.104  3069.07  871.027  5818.37  1940.20  2375.11  974.778  111.150   24.584   68.595   20.144 0.000000 0.000000 
1 1 1   -6    0   21 o  217.283   13.415 19629.87  2346.10 16954.00  3035.97 23596.70  3696.46  199.147   19.184  235.542   19.642 -0.000000 0.000000 
1 1 1   -6    0   22 o   29.042   17.268  394.781  711.795  1005.60  1647.25  254.544  789.287   44.226   26.281   28.119   17.412 0.000000 0.000000 
1 1 1   -6    0   23 o  242.756   14.740 24790.28  2880.77 26149.03  4419.11 23786.16  3798.92  243.672   22.794  234.049   20.344 0.000000 0.000000 
1 1 1   -6    0   24 o   41.424   20.214  1085.35  801.947  723.614  883.003  2788.71  1916.11   35.142   19.952   63.945   31.239 -0.000000 0.000000 
1 1 1   -6    0   25 o  127.009   16.068  7180.44  1584.84   0.0000   0.0000  7180.44  1584.84  127.009   16.068  127.009   16.068 0.000000 0.000000 
1 1 1   -6    0   26 o   32.777   19.135  644.463  846.407   0.0000   0.0000  644.463  846.407   32.777   19.135   32.777   19.135 0.000000 0.000000 
1 1 1   -6    2    3 o  658.856   31.994 179721.80 17115.83 182517.20 24212.44 176929.59 24198.46  655.955   45.746  645.343   46.492 10.61273 65.22427 
1 1 1   -6    2    4 o  281.575   10.075 32244.21  2303.42 30530.36  3251.58 33970.68  3263.52  273.330   14.705  288.788   13.918 -15.45728 20.24707 
1 1 1   -6    2    5 o  279.187   10.035 31687.38  2274.92 30962.03  3215.10 32414.64  3219.34  275.399   14.428  282.189   14.050 -6.789398 20.13906 
1 1 1   -6    2    6 o  1036.80   40.703 443490.91 34265.43 445578.59 59343.31 442446.81 41968.59  1019.80   72.132  1031.33   50.117 -11.53119 87.83387 
1 1 1   -6    2    7 o  564.027   19.188 129524.00  8787.68 129265.50 12423.81 129782.80 12431.51  562.654   27.194  563.783   27.156 -1.129150 38.43169 
1 1 1   -6    2    8 o  1291.49   50.573 688794.62 53032.99 686298.88 64950.31 693786.81 91860.30  1283.54   62.321  1270.77   89.601 12.76428 109.1432 
1 1 1   -6    2    9 o  710.381   23.955 205612.09 13817.46 207539.50 19534.67 203682.30 19547.00  712.444   33.769  705.742   34.111 6.702393 47.99905 
1 1 1   -6    2   10 f  628.086   21.197 160666.91 10810.22 157554.70 15281.40 163784.41 15294.53  620.945   30.309  633.177   29.749 -12.23199 42.46931 
1 1 1   -6    2   11 o  488.034   16.666 96972.67  6604.03 95651.77  9333.28 98297.09  9345.75  483.987   23.750  490.669   23.458 -6.681549 33.38152 
1 1 1   -6    2   12 o  412.008   20.416 69386.44  6829.97 73494.84  9660.81 65281.05  9657.27  421.788   28.374  396.947   30.189 24.84061 41.43002 
1 1 1   -6    2   13 o  350.800   12.506 50132.86  3562.14 52091.29  5032.47 48166.38  5042.81  357.018   17.360  342.724   18.186 14.29446 25.14199 
1 1 1   -6    2   14 o  176.020   7.3635 12596.15  1052.42 12343.54  1487.35 12849.44  1489.34  173.797   10.590  177.358   10.387 -3.560287 14.83412 
1 1 1   -6    2   15 o  254.620   9.5560 26393.71  1975.63 26780.59  2789.10 26004.12  2798.85  255.779   13.477  251.994   13.731 3.785080 19.23962 
1 1 1   -6    2   16 o  622.115   21.489 159791.50 10854.98 162939.80 15346.22 156638.91 15356.30  623.078   30.333  609.686   31.124 13.39172 43.46032 
1 1 1   -6    2   17 o  297.098   10.966 36027.32  2645.37 34654.76  3731.87 37413.56  3750.43  290.111   15.903  301.607   15.365 -11.49619 22.11342 
1 1 1   -6    2   18 o  378.110   13.528 58659.14  4153.27 57404.78  5869.36 59917.13  5877.85  371.456   19.529  379.704   19.126 -8.248077 27.33463 
1 1 1   -6    2   19 o   79.001   8.7609  2581.50  552.522  3074.68  782.939  2092.22  779.837   85.787   11.532   69.958   14.214 15.82919 18.30340 
1 1 1   -6    2   20 o   25.130   10.531   45.097  361.559 -734.6656  492.463  956.889  532.526   20.676   9.9508   47.336   13.303 -26.65974 16.61283 
1 1 1   -6    2   21 o   83.722   8.8972  2916.22  595.556  2014.59  797.739  4051.45  895.138   67.908   14.879   98.157   11.446 -30.24905 18.77241 
1 1 1   -6    2   22 o   90.672   9.4623  3440.25  686.372  3479.39  930.974  3393.65  1015.94   89.998   13.126   88.275   14.690 1.722954 19.70027 
1 1 1   -6    2   23 o  109.232   9.6079  5010.98  843.476  5094.46  1198.69  4929.10  1187.10  108.209   13.969  106.353   14.094 1.856628 19.84373 
1 1 1   -6    2   24 o   95.851   9.5191  3895.78  731.046  3003.68  985.890  4985.41  1089.58   81.232   15.513  106.816   12.819 -25.58368 20.12406 
1 1 1   -6    2   25 o   63.566   13.331  1850.70  666.104  2212.69  890.915  1391.84  1003.05   67.905   16.353   53.977   18.731 13.92767 24.86523 
1 1 1   -6    2   26 o   38.784   14.689  623.057  635.332  118.763  907.039  1108.79  890.188   36.111   15.908   47.714   17.521 -11.60311 23.66540 
1 1 1   -6    4    2 o  368.709   18.342 55548.51  5491.12 53729.54  7779.24 57354.80  7752.06  360.365   26.778  372.637   25.779 -12.27161 37.16991 
1 1 1   -6    4    3 o  703.156   50.002 210570.80 28362.04 210570.80 28362.04   0.0000   0.0000  703.156   50.002  ?   ?  0.000000 50.00204 
1 1 1   -6    4    5 o  420.803   14.610 72066.65  4991.98 72574.02  7055.44 71558.05  7064.03  421.770   20.602  418.790   20.774 2.979706 29.25745 
1 1 1   -6    4    6 f  619.149   20.913 156230.70 10513.42 156585.70 14860.43 155875.00 14876.02  618.667   29.583  617.245   29.682 1.421509 41.90635 
1 1 1   -6    4    7 o  458.598   15.765 85538.58  5870.33 86241.28  8295.90 84833.84  8307.90  460.067   22.208  456.281   22.424 3.785645 31.56003 
1 1 1   -6    4    8 o  976.722   46.920 392806.09 37210.53 397688.09 52608.94 387918.59 52638.34  973.641   66.953  961.124   67.887 12.51733 95.34856 
1 1 1   -6    4    9 o  1313.17   44.158 708707.00 47083.86 690356.12 66581.34 727063.81 66591.92  1287.64   63.683  1322.27   62.024 -34.63843 88.89600 
1 1 1   -6    4   10 o  604.494   20.428 148818.41 10026.89 147669.20 14174.45 149969.59 14185.87  601.194   29.037  605.885   28.835 -4.691223 40.92235 
1 1 1   -6    4   11 o  553.416   18.757 124842.00  8428.67 125877.20 11913.59 123804.60 11926.29  554.604   26.456  549.978   26.707 4.626343 37.59206 
1 1 1   -6    4   12 o  374.893   18.861 57560.51  5722.98 54379.57  8094.16 60740.45  8092.89  362.513   27.708  383.627   26.137 -21.11371 38.09049 
1 1 1   -6    4   13 o  347.228   12.355 49117.25  3483.27 49745.12  4920.11 48486.34  4932.08  348.855   17.370  343.919   17.722 4.935852 24.81485 
1 1 1   -6    4   14 o  467.046   16.165 89167.34  6130.22 85781.37  8661.18 92566.26  8677.72  455.788   23.483  474.338   22.531 -18.54977 32.54374 
1 1 1   -6    4   15 o  140.069   6.8484  7976.79  778.874  7416.85  1084.68  8572.86  1119.12  134.584   9.9973  144.793   9.5730 -10.20854 13.84154 
1 1 1   -6    4   16 o  197.797   8.1194 15923.05  1304.02 16280.42  1829.74 15554.19  1858.92  199.451   11.345  194.872   11.804 4.578751 16.37213 
1 1 1   -6    4   17 o  228.159   9.1087 21214.45  1687.45 19291.97  2371.72 23185.33  2401.39  216.665   13.549  237.807   12.480 -21.14119 18.42125 
1 1 1   -6    4   18 o  144.526   7.3168  8529.20  855.831  8397.55  1186.60  8671.93  1235.54  143.000   10.288  145.288   10.545 -2.287811 14.73268 
1 1 1   -6    4   19 o  219.771   9.1273 19759.63  1628.73 18764.33  2270.10 20815.50  2338.15  212.892   13.198  224.364   12.889 -11.47253 18.44705 
1 1 1   -6    4   20 o   99.248   8.1203  4061.14  648.659  5101.41  912.023  2996.23  922.756  110.854   10.249   83.737   14.071 27.11693 17.40740 
1 1 1   -6    4   21 o   99.391   8.5573  4092.33  683.862  3263.86  929.357  5070.63  1009.91   87.302   13.550  109.901   11.487 -22.59830 17.76363 
1 1 1   -6    4   22 o   55.646   12.314  1349.10  541.650  1748.86  713.124  804.001  832.726   62.994   14.273   46.491   16.965 16.50289 22.17043 
1 1 1   -6    4   23 o   31.291   12.537  227.791  484.130   86.162  620.569  448.030  773.857   32.331   13.686   40.132   15.926 -7.800854 20.99826 
1 1 1   -6    4   24 o   36.017   13.376  467.758  521.380  370.633  660.388  628.477  849.508   36.709   14.666   43.114   16.814 -6.405582 22.31130 
1 1 1   -6    4   25 o   67.276   13.587  2081.25  716.630  1876.91  957.877  2341.03  1080.02   61.501   18.021   68.112   18.876 -6.610188 26.09657 
1 1 1   -6    4   26 o   85.306   12.075  3340.68  813.014  3146.31  999.736  3720.24  1397.07   79.382   16.062   80.872   21.066 -1.490074 26.49062 
1 1 1   -6    6    1 o  502.067   24.673 103418.30 10058.28 104145.20 14239.23 102694.30 14209.91  499.938   35.305  496.360   35.492 3.577454 50.06107 
1 1 1   -6    6    2 f  253.605   13.523 26262.82  2774.64 24878.26  3939.93 27625.12  3908.13  245.962   19.898  259.456   18.676 -13.49329 27.28986 
1 1 1   -6    6    4 f  645.093   25.519 170240.20 13366.95 162537.59 23207.35 174064.09 16351.71  623.397   46.177  651.140   30.928 -27.74365 55.57713 
1 1 1   -6    6    5 o  853.675   33.783 299007.59 23416.58 267513.69 40602.97 314703.19 28663.72  794.745   63.449  873.822   40.399 -79.07751 75.21906 
1 1 1   -6    6    6 o  295.496   10.371 35478.98  2488.39 35677.23  3518.21 35280.52  3520.01  296.198   14.629  294.544   14.718 1.654419 20.75139 
1 1 1   -6    6    7 o  295.803   14.563 35574.21  3497.80 22591.50  6013.30 42213.20  4300.13  232.828   32.711  321.738   16.516 -88.91006 36.64376 
1 1 1   -6    6    8 o  555.863   26.785 126002.20 12089.00 126814.20 17064.81 125184.20 17128.23  555.123   38.090  551.448   38.495 3.674500 54.15431 
1 1 1   -6    6    9 o  831.616   27.543 282182.41 18598.36 282515.81 26296.00 281848.69 26308.12  830.021   39.018  829.027   39.083 0.9942627 55.22527 
1 1 1   -6    6   10 o  678.892   22.143 187904.59 12205.83 189481.80 17254.45 186324.80 17268.86  680.323   31.235  674.579   31.528 5.744019 44.38074 
1 1 1   -6    6   11 o  340.109   11.962 47052.75  3303.52 44234.49  4662.14 49894.70  4681.69  328.942   17.518  349.926   16.477 -20.98471 24.04994 
1 1 1   -6    6   12 o  511.370   20.342 107027.50  8446.21 109695.90 14658.50 105701.30 10334.17  512.383   35.451  507.125   25.097 5.258484 43.43577 
1 1 1   -6    6   13 o  381.735   13.219 59403.99  4097.29 60642.82  5784.82 58156.89  5804.11  384.938   18.508  376.407   19.053 8.531189 26.56224 
1 1 1   -6    6   14 o  349.762   12.692 49885.41  3604.40 52638.55  5086.75 47109.11  5108.10  358.576   17.471  338.525   18.656 20.05154 25.55922 
1 1 1   -6    6   15 o  467.943   16.237 89666.13  6169.31 89307.83  8712.64 90026.42  8736.86  464.981   23.077  466.858   23.048 -1.876953 32.61517 
1 1 1   -6    6   16 o  364.691   13.047 54357.98  3863.30 54562.31  5450.39 54151.65  5476.78  363.697   18.518  362.271   18.682 1.425659 26.30479 
1 1 1   -6    6   17 o  247.014   9.6269 24882.13  1930.84 24824.77  2715.38 24940.78  2746.12  245.806   13.659  246.356   13.784 -0.5495605 19.40495 
1 1 1   -6    6   18 o  179.592   8.0612 13150.01  1175.50 12593.35  1634.22 13746.81  1692.11  174.985   11.567  182.878   11.453 -7.893341 16.27806 
1 1 1   -6    6   19 o  228.247   9.2764 21333.82  1719.19 19802.05  2391.54 22971.87  2473.11  218.442   13.550  235.540   12.981 -17.09779 18.76511 
1 1 1   -6    6   20 o  115.153   7.6417  5452.10  710.439  5855.35  959.992  4963.88  1056.33  118.825   10.044  108.784   12.167 10.04134 15.77750 
1 1 1   -6    6   21 o   94.039   8.5974  3669.44  649.204  3106.78  829.851  4557.00  1042.25   85.462   12.314  103.694   12.640 -18.23276 17.64720 
1 1 1   -6    6   22 o   66.985   10.902  1918.11  572.581  1872.99  673.707  2035.48  1086.59   65.510   13.123   66.871   19.076 -1.361526 23.15417 
1 1 1   -6    6   23 o  103.740   9.1357  4516.36  761.679  4168.65  961.465  5102.33  1248.14   98.345   12.310  107.723   14.650 -9.377739 19.13519 
1 1 1   -6    6   24 o   54.851   12.486  1347.49  543.581  808.177  650.366  2597.37  990.089   43.708   15.087   74.478   16.775 -30.77000 22.56196 
1 1 1   -6    6   25 o   47.885   13.520  1064.45  548.729  953.971  643.058  1360.35  1052.42   45.586   15.001   53.179   19.121 -7.593822 24.30278 
1 1 1   -6    6   26 o   66.242   12.175  2045.90  630.722  2344.58  750.964  1330.71  1162.05   69.846   13.731   50.551   19.679 19.29520 23.99578 
1 1 1   -6    8    2 o  385.266   19.425 60677.36  6056.99 57482.43  8580.15 63851.11  8551.67  373.454   28.511  394.024   26.890 -20.56998 39.19123 
1 1 1   -6    8    3 f  715.777   50.194 214305.00 28987.47 214305.00 28987.47   0.0000   0.0000  715.777   50.194  ?   ?  0.000000 50.19387 
1 1 1   -6    8    4 o  936.966   45.025 362722.81 34254.73 378237.59 48476.99 347250.69 48410.08  946.841   63.422  905.482   66.305 41.35870 91.75352 
1 1 1   -6    8    5 o  331.064   13.248 44556.74  3561.17 45704.84  6243.05 44003.00  4335.75  334.051   23.160  328.890   16.236 5.161469 28.28392 
1 1 1   -6    8    6 o  190.617   8.2202 14758.13  1272.28 17617.29  2267.90 13445.08  1536.90  207.744   13.518  181.612   10.467 26.13217 17.09673 
1 1 1   -6    8    7 o  241.590   18.146 23877.56  3533.59   0.0000   0.0000 23877.56  3533.59  ?   ?   241.590   18.146 0.000000 18.14610 
1 1 1   -6    8    8 o  208.665   8.0356 17684.27  1361.47 16240.21  1923.41 19134.36  1927.43  199.560   11.925  216.735   10.988 -17.17560 16.21560 
1 1 1   -6    8    9 o  588.286   20.514 140946.91  9798.73 141788.80 13853.86 140104.20 13861.12  589.120   28.962  585.585   29.152 3.534180 41.09312 
1 1 1   -6    8   10 o  422.751   14.459 72722.34  4963.23 70807.11  7016.19 74640.71  7021.95  416.645   20.739  427.825   20.214 -11.18030 28.96086 
1 1 1   -6    8   11 o  517.321   25.180 109785.30 10576.70 114523.90 15004.83 105105.70 14911.03  524.598   35.434  501.970   36.841 22.62762 51.11605 
1 1 1   -6    8   12 o  551.442   19.411 124463.50  8691.15 123628.30 12285.23 125300.30 12297.06  546.606   27.772  551.053   27.483 -4.446655 39.07164 
1 1 1   -6    8   13 o  346.247   12.431 48860.23  3494.87 47126.00  4934.49 50605.75  4950.54  338.867   17.998  351.740   17.334 -12.87234 24.98806 
1 1 1   -6    8   14 o  347.958   12.634 49384.10  3569.62 51075.52  5039.91 47681.50  5056.53  353.099   17.579  340.549   18.354 12.54993 25.41456 
1 1 1   -6    8   15 o  501.866   17.163 103305.80  6994.10 101462.80  9882.40 105155.30  9899.93  494.723   24.602  503.813   24.200 -9.090179 34.50939 
1 1 1   -6    8   16 o  124.503   6.8162  6324.20  686.451  6498.03  944.215  6129.34  999.739  125.945   9.2989  122.190   10.169 3.755188 13.77956 
1 1 1   -6    8   17 o  277.509   10.309 31439.05  2322.83 30026.63  3265.79 32885.14  3304.50  269.982   14.956  282.712   14.444 -12.72974 20.79177 
1 1 1   -6    8   18 o   92.413   7.3949  3503.24  550.237  4638.39  766.491  2296.27  790.363  106.200   8.9728   73.550   13.740 32.65046 16.41012 
1 1 1   -6    8   19 o  219.969   9.1427 19829.35  1632.95 19394.99  2266.72 20297.98  2354.47  216.160   12.975  221.076   13.176 -4.915161 18.49206 
1 1 1   -6    8   20 o  110.271   8.0017  5011.19  711.567  5098.35  939.546  4893.94  1089.68  110.622   10.590  107.763   12.697 2.858871 16.53348 
1 1 1   -6    8   21 o  167.829   8.6834 11638.74  1179.25 10770.53  1605.52 12655.83  1737.73  159.953   12.460  173.477   12.419 -13.52403 17.59222 
1 1 1   -6    8   22 o  121.194   8.6165  6106.37  842.381  5668.96  1092.82  6746.83  1322.35  115.563   11.812  125.531   13.170 -9.968636 17.69106 
1 1 1   -6    8   23 o  100.639   9.2517  4262.83  747.537  3699.06  923.573  5333.75  1272.92   92.276   12.660  109.976   14.617 -17.70026 19.33747 
1 1 1   -6    8   24 o   32.745   12.362  366.968  449.030  358.078  509.002  398.167  953.522   33.665   13.047   41.396   17.205 -7.731369 21.59203 
1 1 1   -6    8   25 o   66.303   12.037  1993.31  624.141  1416.65  709.295  3971.70  1313.78   54.150   15.400   88.398   18.878 -34.24764 24.36267 
1 1 1   -6    8   26 o   53.685   15.484  1479.72  712.201  1479.72  712.201   0.0000   0.0000   53.685   15.484  ?   ?  0.000000 15.48399 
1 1 1   -6   10    1 o  349.025   14.552 49545.85  4123.91 48262.50  7130.94 50190.74  5054.96  342.858   25.804  350.683   17.811 -7.824982 31.35431 
1 1 1   -6   10    2 o  793.676   38.406 258827.20 24750.02 253662.59 35025.02 263978.09 34978.64  778.754   55.760  795.011   54.516 -16.25696 77.98185 
1 1 1   -6   10    3 o  100.858   8.2464  4159.51  669.415  4246.94  960.506  4076.93  933.466  101.533   11.875   99.463   11.788 2.070778 16.73230 
1 1 1   -6   10    4 o  805.944   39.121 266569.19 25601.09 248965.80 36242.81 284100.09 36168.12  771.819   58.261  826.294   54.208 -54.47485 79.57975 
1 1 1   -6   10    5 o  567.844   27.492 131559.00 12675.58 133764.80 17970.07 129374.60 17882.21  569.852   39.073  560.278   39.562 9.574463 55.60474 
1 1 1   -6   10    6 o  870.395   41.415 310820.41 29269.61 332590.69 41438.11 289143.59 41348.98  894.354   57.365  832.111   61.638 62.24323 84.20183 
1 1 1   -6   10    7 o  844.336   33.388 291448.59 22890.13 305506.50 39745.45 284471.81 27999.90  856.846   57.460  832.614   41.417 24.23187 70.83098 
1 1 1   -6   10    8 o  774.108   30.354 244896.09 19079.21 255900.91 33141.98 239441.20 23333.52  784.596   52.323  764.093   37.609 20.50317 64.43716 
1 1 1   -6   10    9 o  1011.19   40.068 421652.31 32898.19 432732.19 57073.50 416139.00 40259.42  1006.23   70.297  1000.46   49.560 5.774719 86.01053 
1 1 1   -6   10   10 o  891.257   35.133 328304.50 25424.89 333186.31 44124.14 325878.00 31108.41  879.584   62.183  883.879   43.346 -4.294800 75.79923 
1 1 1   -6   10   11 o  531.682   26.172 116338.40 11298.51 115044.80 16046.95 117610.20 15910.94  523.557   38.007  529.739   37.227 -6.182434 53.20144 
1 1 1   -6   10   12 o  268.979   10.868 29453.85  2373.66 31677.60  3350.73 27213.73  3363.04  278.221   14.886  257.622   16.159 20.59964 21.97085 
1 1 1   -6   10   13 o  129.355   7.0922  6822.85  742.073  8844.61  1038.43  4712.91  1060.83  147.191   8.7277  106.803   12.467 40.38808 15.21868 
1 1 1   -6   10   14 o  197.104   7.9135 15803.81  1266.48 15954.69  1781.68 15649.71  1800.62  197.538   11.154  195.605   11.386 1.932907 15.93916 
1 1 1   -6   10   15 o  199.019   8.4994 16124.37  1373.47 16636.11  1930.81 15600.17  1954.18  201.551   11.850  195.071   12.402 6.480072 17.15350 
1 1 1   -6   10   16 o  107.294   6.8567  4702.63  594.231  4241.72  802.287  5262.79  884.448  101.520   9.8571  113.201   9.7166 -11.68137 13.84102 
1 1 1   -6   10   17 o  390.474   14.304 62647.32  4534.99 64074.03  6409.89 61217.45  6417.00  392.095   20.202  382.980   20.713 9.115021 28.93342 
1 1 1   -6   10   18 o  332.879   11.879 45541.84  3210.87 47472.15  4551.09 43628.81  4530.68  337.910   16.587  323.172   17.329 14.73752 23.98827 
1 1 1   -6   10   19 o   41.821   11.005  747.083  378.775  1019.27  465.364  212.830  651.982   48.714   11.873   35.331   14.406 13.38321 18.66874 
1 1 1   -6   10   20 o   58.963   8.6624  1458.66  402.357  1903.54  483.325  454.321  726.199   67.428   9.0569   40.084   15.570 27.34432 18.01242 
1 1 1   -6   10   21 o  131.121   8.2993  7111.97  879.031  6994.29  1142.63  7282.61  1375.89  129.127   11.003  130.913   13.120 -1.786453 17.12346 
1 1 1   -6   10   22 o  124.827   8.7610  6491.34  882.351  6211.23  1115.06  6960.51  1443.10  120.991   11.488  126.712   14.275 -5.721397 18.32344 
1 1 1   -6   10   23 o   36.965   12.919  540.909  477.550  850.726  548.206 -433.9753  972.450   44.147   13.785   34.462   15.712 9.685276 20.90256 
1 1 1   -6   10   24 o   30.022   11.210  313.941  367.159  507.155  387.073 -1420.2460  1159.64   34.820   11.646   31.461   15.174 3.359097 19.12742 
1 1 1   -6   10   25 o   42.105   12.530  819.240  460.098  934.856  493.626   53.826  1270.10   44.735   12.887   40.790   18.339 3.944317 22.41447 
1 1 1   -6   10   26 o   34.511   12.688  514.774  467.039  514.774  467.039   0.0000   0.0000   34.511   12.688  ?   ?  0.000000 12.68835 
1 1 1   -6   12    1 o  565.070   22.570 130076.90 10355.35 129597.20 17935.29 130316.70 12682.92  560.675   39.652  565.108   27.641 -4.432983 48.33549 
1 1 1   -6   12    2 o  610.024   29.688 151957.41 14705.03 150014.41 20819.15 153891.80 20773.04  602.772   42.816  610.704   42.150 -7.932495 60.08189 
1 1 1   -6   12    3 o  957.684   46.369 377463.50 36056.99 359622.69 51028.21 395254.09 50956.43  925.146   68.415  971.696   64.959 -46.55066 94.34154 
1 1 1   -6   12    4 o  902.274   43.690 334386.91 32008.33 315754.81 45303.92 352957.69 45229.41  868.584   64.701  920.114   60.884 -51.52966 88.84297 
1 1 1   -6   12    5 f  722.017   50.082 215848.09 29179.19   0.0000   0.0000 215848.09 29179.19  ?   ?   722.017   50.082 0.000000 50.08188 
1 1 1   -6   12    6 o  246.901   13.416 24850.36  2679.48 25519.15  3850.08 24222.17  3731.41  249.693   19.136  243.237   19.045 6.456207 26.99802 
1 1 1   -6   12    7 o  618.091   26.177 155889.91 13137.38 144380.50 22899.20 161536.59 16039.54  589.402   48.272  627.690   31.572 -38.28882 57.67982 
1 1 1   -6   12    8 o  605.519   22.944 149631.50 11280.82 176141.30 19673.43 136645.70 13769.30  653.189   37.248  576.939   29.492 76.25049 47.50983 
1 1 1   -6   12    9 o  292.545   12.321 34819.43  2926.57 36618.58  5203.78 33987.14  3539.34  298.581   21.610  288.474   15.164 10.10757 26.39978 
1 1 1   -6   12   10 o  448.129   23.663 82624.55  8579.76 68114.32 12257.01 96564.81 12013.87  402.460   37.956  482.406   30.833 -79.94620 48.90117 
1 1 1   -6   12   11 o  297.423   12.754 36045.02  3079.95 33683.00  5465.44 37144.17  3728.32  285.268   23.813  301.302   15.290 -16.03384 28.29943 
1 1 1   -6   12   12 o  343.360   14.395 48118.36  4013.16 46600.51  7100.99 48830.68  4864.52  334.852   26.330  345.039   17.420 -10.18713 31.57048 
1 1 1   -6   12   13 o  274.358   12.275 30696.56  2734.48 25008.66  4908.16 33256.70  3292.87  244.711   25.055  285.353   14.212 -40.64229 28.80507 
1 1 1   -6   12   14 o  247.126   10.628 24892.23  2132.64 27424.66  3018.39 22367.77  3013.64  258.569   14.434  233.142   16.017 25.42693 21.56129 
1 1 1   -6   12   15 o  133.825   7.0315  7305.79  761.380  8237.35  1067.42  6340.90  1086.34  141.884   9.3171  124.200   10.882 17.68404 14.32576 
1 1 1   -6   12   16 o  124.618   7.0131  6340.54  706.739  7547.26  966.403  4953.21  1036.20  135.793   8.8124  109.437   11.851 26.35656 14.76799 
1 1 1   -6   12   17 o  286.311   11.209 33574.89  2605.89 31911.74  3674.17 35258.31  3696.49  277.292   16.391  291.788   15.659 -14.49609 22.66925 
1 1 1   -6   12   18 o  104.109   7.4852  4448.84  628.528  4477.75  818.333  4407.25  981.496  104.047   9.8019  102.749   11.990 1.298096 15.48670 
1 1 1   -6   12   19 o  124.365   7.5429  6354.19  758.088  5054.03  1007.31  8052.50  1151.25  109.964   11.450  139.409   10.242 -29.44553 15.36215 
1 1 1   -6   12   20 o   96.814   7.8192  3873.26  609.415  4022.61  759.532  3603.36  1021.06   98.235   9.6468   91.534   14.198 6.700829 17.16527 
1 1 1   -6   12   21 o   64.403   8.9518  1747.06  455.464  1912.83  519.019  1191.82  949.895   67.217   9.7978   53.412   18.241 13.80515 20.70621 
1 1 1   -6   12   22 o  141.323   8.9636  8339.99  1023.24  8916.84  1364.19  7598.00  1547.19  144.760   11.706  131.827   14.705 12.93266 18.79566 
1 1 1   -6   12   23 o   32.625   11.322  419.237  366.467  522.422  390.623 -338.4921  1058.54   35.436   11.693   36.599   16.571 -1.163502 20.28143 
1 1 1   -6   12   24 o   53.608   11.467  1292.06  484.057  1167.37  522.531  2046.49  1285.29   50.452   12.750   62.757   21.220 -12.30493 24.75565 
1 1 1   -6   12   25 o   49.798   11.907  1157.09  474.918  1032.49  509.036  1994.18  1319.43   46.595   12.975   58.910   21.377 -12.31532 25.00640 
1 1 1   -6   14    1 f  1090.34   42.810 487919.31 37900.82 463922.31 65657.08 499911.91 46414.98  1047.71   77.734  1100.86   51.926 -53.14978 93.48222 
1 1 1   -6   14    2 o  369.585   15.436 55533.59  4632.32 56854.75  8009.40 54869.53  5678.38  372.489   26.658  366.732   19.136 5.757263 32.81508 
1 1 1   -6   14    3 o  1163.33   55.990 559934.31 52887.33 582838.81 74836.72 537082.00 74751.32  1173.71   78.986  1124.48   82.445 49.23340 114.1753 
1 1 1   -6   14    4 o  1272.63   90.574 694885.62 92981.68   0.0000   0.0000 694885.62 92981.68  ?   ?   1272.63   90.574 0.000000 90.57372 
1 1 1   -6   14    5 o  575.580   27.763 135229.50 12975.25 146758.00 18410.67 123852.20 18289.47  596.999   38.180  547.516   41.447 49.48285 56.35252 
1 1 1   -6   14    6 o  573.673   27.615 134467.59 12863.25 146291.20 18262.06 122825.40 18121.51  595.513   37.966  544.643   41.284 50.86914 56.08725 
1 1 1   -6   14    7 o  182.756   11.023 13627.39  1628.05 16995.91  2403.88 10773.15  2212.78  203.841   14.621  161.739   17.109 42.10272 22.50554 
1 1 1   -6   14    8 o  107.152   7.3059  4686.71  631.851  3172.71  1324.64  5132.66  718.908   86.469   19.350  112.104   7.9494 -25.63519 20.91926 
1 1 1   -6   14    9 o  383.613   19.877 60358.88  6170.05 56989.43  8916.24 63455.04  8547.01  370.326   29.907  391.690   27.040 -21.36307 40.31877 
1 1 1   -6   14   10 o  265.370   11.899 28680.06  2563.89 25728.78  4631.45 29984.12  3078.65  249.223   23.152  270.809   14.049 -21.58598 27.08105 
1 1 1   -6   14   11 o  312.831   13.325 39907.98  3384.58 38473.59  6057.19 40559.14  4081.14  304.559   24.707  314.660   16.027 -10.10168 29.44982 
1 1 1   -6   14   12 o   80.913   7.9940  2688.66  518.326  1435.14  1172.09  2993.40  577.906   60.784   20.264   85.364   8.4485 -24.58100 21.95490 
1 1 1   -6   14   13 o   96.999   7.8289  3852.41  611.344  5354.10  1270.79  3400.22  697.340  113.612   14.077   90.875   9.5958 22.73740 17.03646 
1 1 1   -6   14   14 o  123.288   8.2652  6215.14  822.610  6532.14  1666.19  6112.97  945.934  125.064   16.836  122.111   9.6183 2.952995 19.38949 
1 1 1   -6   14   15 o  355.568   15.042 51873.75  4342.65 52025.93  7789.02 51805.10  5231.15  350.801   27.567  354.004   18.261 -3.202881 33.06717 
1 1 1   -6   14   16 o   94.721   9.1183  3694.39  692.623  2977.58  1472.90  3897.90  784.811   82.939   21.642   97.169   10.095 -14.22971 23.88071 
1 1 1   -6   14   17 o   23.711   10.523 -142.4714  404.090 -3145.0200  1458.33  107.233  420.557   31.692   15.645   28.062   11.521 3.629766 19.42948 
1 1 1   -6   14   18 o  112.190   7.5408  5169.86  682.940  5263.01  902.431  5045.00  1044.78  112.721   9.9624  109.876   11.901 2.845070 15.52032 
1 1 1   -6   14   19 o  145.994   8.0443  8772.31  949.913  9040.50  1287.02  8451.40  1407.86  147.416   10.828  141.996   12.333 5.419983 16.41215 
1 1 1   -6   14   20 o   12.572   6.1017 -332.2859  195.035 -348.7707  201.012 -67.3453  805.848   12.695   6.1687   34.982   15.211 -22.28780 16.41411 
1 1 1   -6   14   21 o  135.643   8.3991  7638.56  920.506  7274.42  1213.47  8132.09  1412.71  131.093   11.517  138.039   12.748 -6.945938 17.18005 
1 1 1   -6   14   22 o   25.047   10.110  128.249  317.341  162.753  332.128 -233.5952  1075.54   26.185   10.420   38.052   17.009 -11.86707 19.94664 
1 1 1   -6   14   23 o  108.294   9.1767  4976.94  799.324  4423.25  953.023  6290.40  1467.85  100.587   11.899  117.201   15.830 -16.61398 19.80323 
1 1 1   -6   14   24 o   54.130   11.048  1320.12  469.158  1221.87  499.618  2052.96  1364.54   51.568   12.134   61.488   21.808 -9.920326 24.95629 
1 1 1   -6   14   25 o   22.759   9.8900   2.0492  340.264   2.0492  340.264   0.0000   0.0000   22.759   9.8900  ?   ?  0.000000 9.890038 
1 1 1   -6   16    1 o  219.266   13.184 19613.03  2336.34   0.0000   0.0000 19613.03  2336.34  ?   ?   219.266   13.184 0.000000 13.18404 
1 1 1   -6   16    2 o  862.605   42.037 306006.31 29443.01   0.0000   0.0000 306006.31 29443.01  ?   ?   862.605   42.037 0.000000 42.03702 
1 1 1   -6   16    3 o  730.334   35.320 218696.41 20945.23 230314.30 29673.06 207159.70 29569.28  744.467   49.368  704.982   52.024 39.48523 71.71986 
1 1 1   -6   16    4 o  695.131   33.719 198211.00 19031.81 205842.09 26983.35 190656.59 26847.26  703.329   47.529  676.167   49.238 27.16187 68.43507 
1 1 1   -6   16    5 o  477.294   23.589 93059.15  9141.73 98694.29 13008.50 87560.77 12849.67  489.039   32.952  460.096   34.650 28.94293 47.81717 
1 1 1   -6   16    6 o  458.271   22.785 85875.25  8478.42 89228.58 12076.62 82616.11 11905.80  464.410   32.226  446.563   33.070 17.84756 46.17493 
1 1 1   -6   16    7 o  808.576   39.237 272500.31 25760.63 288682.81 36528.14 256488.80 36334.70  820.370   55.158  770.515   58.514 49.85474 80.41333 
1 1 1   -6   16    8 o  434.182   31.976 78532.55 11193.61 78532.55 11193.61   0.0000   0.0000  434.182   31.976  ?   ?  0.000000 31.97626 
1 1 1   -6   16    9 o  358.795   16.280 52578.12  4742.72 43884.80  8463.30 56557.88  5726.32  323.356   32.683  371.239   19.061 -47.88358 37.83545 
1 1 1   -6   16   10 o   43.175   9.0771  786.968  308.113 -150.4021  753.429  975.213  337.636   33.643   14.667   48.193   8.9580 -14.54998 17.18639 
1 1 1   -6   16   11 o  570.534   22.634 134093.09 10485.08 140525.41 18429.04 131014.40 12749.74  574.264   39.768  561.816   27.949 12.44867 48.60713 
1 1 1   -6   16   12 o  385.847   15.831 60941.36  4959.75 61409.45  8861.79 60727.85  5984.90  382.763   28.723  384.436   19.173 -1.673462 34.53450 
1 1 1   -6   16   13 o  321.187   14.018 42196.55  3655.79 38687.24  6631.27 43728.82  4381.81  303.312   27.215  326.067   16.605 -22.75537 31.88126 
1 1 1   -6   16   14 o  153.354   9.0001  9615.10  1115.76  8726.94  2225.93  9913.14  1289.45  144.143   19.521  155.559   10.266 -11.41611 22.05600 
1 1 1   -6   16   15 o  155.184   9.0689  9855.51  1137.74  9404.58  2290.19 10003.26  1310.95  149.469   19.323  156.153   10.399 -6.683838 21.94334 
1 1 1   -6   16   16 o  171.543   10.063 12083.54  1395.49 11578.25  3082.78 12213.76  1565.02  163.720   23.894  172.225   11.253 -8.505096 26.41126 
1 1 1   -6   16   17 o  135.646   10.192  7599.91  1114.39  7118.91  2744.12  7694.90  1219.48  124.929   27.772  136.277   11.118 -11.34777 29.91434 
1 1 1   -6   16   18 o   87.113   12.017  3203.24  827.366  5640.06  2462.49  2893.15  878.432  109.666   27.659   82.266   13.628 27.39983 30.83355 
1 1 1   -6   16   19 o   95.432   12.872  3876.36  971.990  4720.76  2706.26  3751.31  1041.48   97.985   30.634   93.408   14.177 4.576958 33.75591 
1 1 1   -6   16   20 o  138.498   11.318  8075.99  1261.71  9302.36  3006.34  7813.81  1390.05  137.542   27.874  135.559   12.780 1.983383 30.66396 
1 1 1   -6   16   21 o   77.577   17.606  2762.90  1083.59 -570.3217  3161.26  3206.67  1153.46   60.668   27.909   83.758   17.523 -23.09089 32.95432 
1 1 1   -6   16   22 o  136.153   13.270  8112.20  1448.36 14067.60  4054.01  7240.84  1550.70  154.258   33.339  127.071   15.340 27.18724 36.69889 
1 1 1   -6   16   23 o   54.316   20.639  1353.73  1256.82   0.0000   0.0000  1353.73  1256.82  ?   ?    54.316   20.639 0.000000 20.63915 
1 1 1   -6   16   24 o   41.778   19.314 -197.6437  1541.14   0.0000   0.0000 -197.6437  1541.14  ?   ?    41.778   19.314 0.000000 19.31442 
1 1 1   -6   18    1 o  423.948   17.851 73247.48  6145.03 78278.05 10709.56 70778.30  7503.06  435.652   30.467  415.710   22.310 19.94266 37.76245 
1 1 1   -6   18    2 o  427.391   17.893 74459.88  6209.20 83822.98 10790.20 69824.37  7592.21  450.939   29.635  412.746   22.742 38.19376 37.35503 
1 1 1   -6   18    3 o  764.319   30.762 240290.50 19090.74 267683.09 33059.39 226585.91 23383.67  796.015   51.424  738.272   39.148 57.74365 64.62959 
1 1 1   -6   18    4 o  557.270   27.485 127572.20 12436.48 135422.30 17672.22 119870.30 17504.65  569.788   38.422  535.087   40.592 34.70026 55.89244 
1 1 1   -6   18    5 o  415.746   21.244 70920.66  7147.53 74741.00 10213.91 67254.59 10005.59  424.699   29.808  402.466   30.853 22.23285 42.89999 
1 1 1   -6   18    6 o  728.938   36.178 221409.09 21412.49 218583.91 30399.68 224191.00 30165.34  712.286   52.941  722.299   51.778 -10.01367 74.05192 
1 1 1   -6   18    7 o  497.003   36.551 103710.50 14646.61 103710.50 14646.61   0.0000   0.0000  497.003   36.551  ?   ?  0.000000 36.55086 
1 1 1   -6   18    8 f  313.941   16.891 40399.02  4289.96 41324.35  6204.04 39551.20  5938.51  315.918   24.374  309.158   23.841 6.759918 34.09547 
1 1 1   -6   18    9 o  386.700   17.106 61176.00  5370.92 55779.45  9617.50 63621.78  6474.60  364.177   32.879  393.224   20.348 -29.04712 38.66628 
1 1 1   -6   18   10 o  904.608   37.659 346093.69 27661.14 334027.59 48230.43 352007.91 33766.39  844.889   70.962  902.217   46.249 -57.32782 84.70238 
1 1 1   -6   18   11 o  365.020   15.283 54515.34  4529.77 52562.99  8196.36 55373.85  5435.22  353.884   28.774  367.282   18.225 -13.39819 34.06032 
1 1 1   -6   18   12 o  172.943   8.6140 12177.22  1209.62 15812.40  2448.48 11003.56  1391.25  195.854   15.524  163.952   10.506 31.90134 18.74479 
1 1 1   -6   18   13 o  156.942   9.5486 10077.02  1211.01  6843.84  2462.93 11107.91  1390.73  126.041   24.949  164.682   10.455 -38.64147 27.05086 
1 1 1   -6   18   14 o  463.239   19.187 88887.28  7216.92 86835.73 12918.73 89817.98  8701.26  445.695   36.005  463.582   23.116 -17.88730 42.78730 
1 1 1   -6   18   15 o  122.804   8.7983  6189.20  871.493  6465.38  2109.20  6132.34  957.005  122.297   22.052  122.088   9.7348 0.2087097 24.10485 
1 1 1   -6   18   16 o  110.130   9.7062  5010.92  859.071  6042.24  2398.20  4859.11  920.132  115.814   26.125  108.253   10.604 7.561188 28.19487 
1 1 1   -6   18   17 o  201.152   11.045 16759.70  1797.06 16771.54  3740.28 16756.14  2049.06  194.168   24.253  200.515   12.650 -6.347397 27.35394 
1 1 1   -6   18   18 o  185.531   10.958 14321.12  1643.45 13164.43  3542.37 14638.37  1855.19  168.266   26.828  187.006   12.286 -18.74054 29.50790 
1 1 1   -6   18   19 o  136.846   11.610  7881.93  1277.84  9002.81  2847.83  7599.36  1429.86  137.061   26.548  133.596   13.361 3.465210 29.72082 
1 1 1   -6   18   20 o   96.424   13.655  4035.87  1039.21  4096.73  2598.74  4024.28  1133.81   88.707   30.173   95.618   15.105 -6.911354 33.74250 
1 1 1   -6   18   21 o   85.561   17.353  3378.49  1164.34 -2134.6960  3250.56  4189.97  1247.09   54.685   26.117   95.984   16.602 -41.29918 30.94727 
1 1 1   -6   18   22 o   53.301   18.731  1301.26  1004.56   0.0000   0.0000  1301.26  1004.56  ?   ?    53.301   18.731 0.000000 18.73084 
1 1 1   -6   18   23 o   43.897   19.134  386.207  1281.54   0.0000   0.0000  386.207  1281.54  ?   ?    43.897   19.134 0.000000 19.13351 
1 1 1   -6   20    1 o  183.679   18.042 13912.33  2656.14   0.0000   0.0000 13912.33  2656.14  ?   ?   183.679   18.042 0.000000 18.04240 
1 1 1   -6   20    2 o  254.656   14.869 26531.15  3061.19 31951.70  4442.75 21631.53  4223.89  278.789   19.754  228.510   23.081 50.27902 30.38059 
1 1 1   -6   20    3 o  332.654   18.036 45353.43  4853.40 48301.37  6981.49 42596.30  6751.77  341.796   25.336  320.667   26.159 21.12912 36.41764 
1 1 1   -6   20    4 o  643.774   32.098 171933.70 16778.44 173303.91 23842.47 170589.41 23615.74  637.522   46.377  632.536   46.303 4.985535 65.53458 
1 1 1   -6   20    5 o  427.391   32.373 76292.67 11150.99 76292.67 11150.99   0.0000   0.0000  427.391   32.373  ?   ?  0.000000 32.37319 
1 1 1   -6   20    6 o  232.947   14.135 22215.23  2660.98 23416.89  3914.52 21182.95  3628.15  238.134   20.443  226.505   19.930 11.62915 28.55074 
1 1 1   -6   20    7 o  340.586   18.177 47624.44  5008.61 50732.62  7257.43 44797.73  6921.03  349.639   25.745  328.316   26.180 21.32254 36.71755 
1 1 1   -6   20    8 o  417.191   21.984 71810.17  7420.85 68876.98 10666.44 74561.75 10330.94  404.638   32.746  422.122   30.344 -17.48410 44.64331 
1 1 1   -6   20    9 o  460.123   23.596 87658.39  8785.91 89484.16 12614.79 85938.45 12243.81  460.150   34.004  451.070   33.673 9.080048 47.85516 
1 1 1   -6   20   10 o   97.355   7.7001  3879.82  603.716  3080.41  1553.47  4022.04  655.218   84.840   22.269   99.078   8.2188 -14.23767 23.73722 
1 1 1   -6   20   11 o  336.839   15.317 46490.46  4189.36 40876.70  7686.65 48862.64  4996.70  310.134   30.937  344.291   17.936 -34.15714 35.76066 
1 1 1   -6   20   12 o  254.280   12.284 26430.94  2536.17 21645.81  4887.64 28194.08  2966.85  225.658   27.225  261.994   13.997 -36.33559 30.61273 
1 1 1   -6   20   13 o   61.439   10.760  1586.88  517.213  4804.71  1505.15  1156.04  550.751  106.422   18.064   52.104   13.047 54.31783 22.28339 
1 1 1   -6   20   14 o  223.764   11.169 20519.23  2029.26 19274.16  4098.54 20923.58  2335.64  212.046   24.240  225.274   12.822 -13.22786 27.42235 
1 1 1   -6   20   15 o   81.397   10.383  2762.65  670.600  2685.62  2426.47  2769.02  697.777   81.644   29.067   81.400   10.826 0.2439346 31.01777 
1 1 1   -6   20   16 o  235.621   12.234 23062.33  2332.45 22674.49  4963.81 23172.22  2642.32  223.404   27.978  235.418   13.885 -12.01468 31.23386 
1 1 1   -6   20   17 o  162.350   10.938 10966.60  1433.48  9165.24  3653.37 11294.39  1558.46  135.519   33.413  164.466   11.748 -28.94632 35.41775 
1 1 1   -6   20   18 o   41.069   15.904  502.133  755.866 -3009.6050  2707.22  799.034  787.170   49.055   23.537   46.024   16.538 3.031193 28.76577 
1 1 1   -6   20   19 o  152.525   11.659  9832.14  1433.00  9562.37  3488.29  9886.91  1571.74  134.099   32.399  152.329   12.827 -18.22989 34.84562 
1 1 1   -6   20   20 o  159.988   12.236 10959.38  1577.43 10810.05  3884.03 10988.87  1726.20  135.527   35.038  159.344   13.468 -23.81702 37.53717 
1 1 1   -6   20   21 o  103.891   14.224  4823.74  1168.34  5569.71  3993.13  4753.90  1221.81   88.981   35.881  102.532   15.131 -13.55135 38.94046 
1 1 1   -6   20   22 o   58.163   20.364  1708.08  1186.79   0.0000   0.0000  1708.08  1186.79  ?   ?    58.163   20.364 0.000000 20.36353 
1 1 1   -6   20   23 f   62.715   24.957  2570.95  1905.23   0.0000   0.0000  2570.95  1905.23  ?   ?    62.715   24.957 0.000000 24.95652 
1 1 1   -6   22    1 o  364.387   20.050 54567.12  5909.34   0.0000   0.0000 54567.12  5909.34  ?   ?   364.387   20.050 0.000000 20.04992 
1 1 1   -6   22    2 o  696.153   35.592 203105.50 20051.27 182511.50 28377.64 223639.00 28335.96  646.348   54.582  720.946   48.691 -74.59875 73.14408 
1 1 1   -6   22    3 o  311.487   18.380 39848.40  4628.02 34500.40  6465.76 45466.88  6627.25  287.489   28.056  331.294   24.817 -43.80524 37.45715 
1 1 1   -6   22    4 o  245.895   12.905 24718.13  2567.55 22978.89  4428.91 25598.55  3151.10  235.144   23.512  249.855   15.611 -14.71043 28.22215 
1 1 1   -6   22    5 o  124.336   12.357  6363.33  1230.94  7295.33  1907.23  5697.92  1611.53  132.250   18.247  116.725   17.546 15.52563 25.31452 
1 1 1   -6   22    6 o  393.894   21.422 63997.45  6825.55 59404.15  9847.22 68245.05  9469.43  375.559   32.616  404.177   29.048 -28.61819 43.67617 
1 1 1   -6   22    7 o  184.842   13.578 14024.11  2023.64 12051.50  3086.49 15511.44  2680.07  169.431   23.032  193.837   17.207 -24.40520 28.75024 
1 1 1   -6   22    8 o   92.273   13.466  3549.75  979.210  3957.49  1658.03  3331.36  1213.43   96.105   21.754   88.620   17.484 7.485283 27.90979 
1 1 1   -6   22    9 o  160.909   13.104 10648.13  1697.20  9518.72  2666.39 11417.38  2200.55  150.123   22.573  166.051   16.541 -15.92767 27.98504 
1 1 1   -6   22   10 o  337.965   15.698 46851.61  4307.70 40438.71  7999.48 49470.70  5112.23  307.354   32.549  346.200   18.251 -38.84592 37.31702 
1 1 1   -6   22   11 f  392.401   17.184 63413.66  5475.14 55462.72 10043.18 66775.93  6530.98  357.655   35.033  401.649   20.026 -43.99405 40.35309 
1 1 1   -6   22   12 o  135.624   8.9078  7535.21  975.492  5682.24  2404.20  7900.38  1067.30  113.769   26.516  138.797   9.5281 -25.02773 28.17615 
1 1 1   -6   22   13 o  184.409   10.011 13957.66  1493.43 15494.81  3325.41 13569.31  1671.47  190.619   21.882  181.526   11.398 9.092926 24.67251 
1 1 1   -6   22   14 o  136.290   9.4480  7649.49  1039.09  6508.02  3159.50  7787.92  1100.30  118.060   32.110  137.423   9.9275 -19.36334 33.60923 
1 1 1   -6   22   15 o   29.664   12.296  102.212  485.247 -98.9939  2068.97  113.924  499.170   55.578   24.266   30.211   12.493 25.36665 27.29274 
1 1 1   -6   22   16 o   75.863   12.017  2447.85  715.552  2180.50  2494.19  2471.83  746.950   75.553   28.988   76.101   12.524 -0.5480652 31.57733 
1 1 1   -6   22   17 o  104.537   10.959  4592.73  916.356 10709.38  2939.77  3934.45  964.405  151.852   24.691   96.113   12.666 55.73955 27.75024 
1 1 1   -6   22   18 o   33.449   14.512 -41.0651  730.210  2778.34  3271.59 -188.8834  749.107   80.445   32.464   32.326   14.337 48.11983 35.48896 
1 1 1   -6   22   19 o   43.617   16.801  635.802  840.160  3069.63  3013.65  430.701  874.844   79.147   31.422   41.430   16.764 37.71634 35.61363 
1 1 1   -6   22   20 o   45.933   20.074  168.206  1418.92 -5535.3149  3322.66  1440.32  1569.20   46.093   22.905   58.598   22.852 -12.50481 32.35544 
1 1 1   -6   22   21 o   53.875   21.726  1202.34  1464.07   0.0000   0.0000  1202.34  1464.07  ?   ?    53.875   21.726 0.000000 21.72566 
1 1 1   -6   22   22 o  130.813   27.012 10626.75  2774.08   0.0000   0.0000 10626.75  2774.08  ?   ?   130.813   27.012 0.000000 27.01205 
1 1 1   -6   24    1 o  669.686   34.082 188511.20 18471.04   0.0000   0.0000 188511.20 18471.04  ?   ?   669.686   34.082 0.000000 34.08150 
1 1 1   -6   24    2 o  345.692   16.151 48882.38  4533.35 41223.49  8029.23 52466.40  5492.57  312.536   32.096  357.136   19.009 -44.60031 37.30271 
1 1 1   -6   24    3 o  258.349   13.562 27319.50  2834.90 31414.88  5037.05 25420.86  3429.65  275.158   22.749  248.576   17.096 26.58246 28.45718 
1 1 1   -6   24    4 o  387.174   17.422 61434.21  5477.08 58122.31  9561.69 63051.61  6681.94  371.234   32.035  390.830   21.135 -19.59528 38.37839 
1 1 1   -6   24    5 o  398.889   22.146 65831.58  7144.48 61306.03 10345.66 69957.40  9878.19  380.148   33.872  408.093   30.022 -27.94531 45.26187 
1 1 1   -6   24    6 o  180.062   13.914 13329.99  2018.52 14114.92  3142.43 12778.63  2633.72  183.791   21.461  175.364   18.789 8.427490 28.52406 
1 1 1   -6   24    7 o  116.335   13.353  5602.81  1238.46  7466.13  2109.32  4622.53  1529.94  133.164   20.137  104.488   18.721 28.67599 27.49471 
1 1 1   -6   24    8 o  137.111   14.135  7775.09  1551.03  4512.87  2531.70  9735.22  1962.44  102.273   29.098  153.232   16.009 -50.95936 33.21162 
1 1 1   -6   24    9 o  262.774   16.500 28497.79  3502.66 27476.75  5301.35 29288.84  4666.23  254.964   25.970  264.792   21.900 -9.828278 33.97130 
1 1 1   -6   24   10 o  354.908   17.148 51969.08  4941.59 42483.49  9290.59 55711.38  5835.52  309.804   37.711  366.032   19.707 -56.22861 42.55013 
1 1 1   -6   24   11 o   78.844   8.2346  2562.82  519.390  2442.34  1675.80  2575.63  546.291   76.322   24.142   78.979   8.6608 -2.656784 25.64819 
1 1 1   -6   24   12 o  379.998   17.484 60256.02  5394.76 55071.94 10121.04 62313.45  6376.03  346.642   36.508  383.990   20.524 -37.34830 41.88152 
1 1 1   -6   24   13 o  143.401   9.5826  8474.69  1109.35  6627.05  3095.77  8746.90  1188.26  118.843   31.553  145.574   10.116 -26.73101 33.13506 
1 1 1   -6   24   14 o   95.250   9.6172  3768.72  733.607  2487.73  2630.11  3876.79  763.925   79.690   29.954   96.560   9.8828 -16.86982 31.54175 
1 1 1   -6   24   15 o   59.750   13.824  1554.12  657.333  6579.29  3150.12  1325.35  672.129  115.058   32.362   55.139   14.732 59.91928 35.55744 
1 1 1   -6   24   16 o   85.381   11.815  3097.97  797.165  1652.76  3535.59  3175.37  818.235   76.958   32.626   86.404   11.986 -9.446541 34.75826 
1 1 1   -6   24   17 o  112.559   12.087  5387.19  1087.38  7773.00  4063.11  5203.13  1128.54  115.532   37.692  110.283   12.844 5.249893 39.82006 
1 1 1   -6   24   18 o  130.448   18.027  7701.59  1858.34  5497.14  4689.04  8112.35  2024.08   94.728   38.632  132.958   19.314 -38.22980 43.19053 
1 1 1   -6   24   19 o  158.994   18.682 11752.28  2365.81 12725.73  4913.91 11458.55  2699.24  131.410   41.312  152.988   22.392 -21.57744 46.99023 
1 1 1   -6   24   20 o   75.710   18.585  2823.10  1134.05   0.0000   0.0000  2823.10  1134.05  ?   ?    75.710   18.585 0.000000 18.58517 
1 1 1   -6   24   21 o   74.108   25.002  3403.64  1784.25   0.0000   0.0000  3403.64  1784.25  ?   ?    74.108   25.002 0.000000 25.00208 
1 1 1   -6   24   22 o   87.886   29.428  6401.95  2471.74   0.0000   0.0000  6401.95  2471.74  ?   ?    87.886   29.428 0.000000 29.42835 
1 1 1   -6   26    1 o  146.424   15.444  8872.78  1808.51   0.0000   0.0000  8872.78  1808.51  ?   ?   146.424   15.444 0.000000 15.44446 
1 1 1   -6   26    2 o  362.725   21.052 54443.78  6173.66   0.0000   0.0000 54443.78  6173.66  ?   ?   362.725   21.052 0.000000 21.05227 
1 1 1   -6   26    3 o   50.802   17.129  988.925  837.476  145.562  1877.78  1198.33  935.690   56.404   23.837   55.132   18.093 1.271732 29.92588 
1 1 1   -6   26    4 o  353.842   17.048 51405.09  4898.08 48459.78  8647.87 52796.20  5943.28  337.541   31.933  357.124   20.583 -19.58307 37.99166 
1 1 1   -6   26    5 o  157.688   13.035 10233.34  1654.06 12614.21  2984.63  9177.96  1987.13  173.336   21.680  148.591   16.763 24.74506 27.40522 
1 1 1   -6   26    6 o  100.566   15.431  4242.10  1219.77  3799.52  2120.62  4460.92  1491.13   93.983   26.594  102.522   18.598 -8.538383 32.45145 
1 1 1   -6   26    7 o  304.787   19.068 38529.92  4695.13 34842.54  7062.71 41449.91  6284.97  284.839   31.040  313.894   24.863 -29.05560 39.76986 
1 1 1   -6   26    8 f  302.874   18.756 38120.15  4589.84 36753.05  6973.28 39165.15  6096.70  292.334   29.794  304.393   24.885 -12.05869 38.81953 
1 1 1   -6   26    9 o  356.585   21.160 53367.86  6099.24 50616.08  9148.13 55569.93  8183.52  338.928   33.688  359.362   28.274 -20.43445 43.98110 
1 1 1   -6   26   10 o  233.998   16.633 22861.86  3139.65 21868.85  4990.33 23512.43  4039.25  223.245   28.156  235.240   21.381 -11.99455 35.35412 
1 1 1   -6   26   11 o  158.275   9.0792 10292.69  1161.92 11701.70  3192.86 10077.61  1247.46  162.958   24.923  156.438   9.8714 6.519653 26.80636 
1 1 1   -6   26   12 f  124.481   9.3531  6397.22  938.451  5927.57  3327.71  6437.80  978.153  111.257   33.830  124.794   9.7302 -13.53665 35.20190 
1 1 1   -6   26   13 o  115.090   10.213  5504.89  944.489  7484.58  3489.24  5348.36  981.117  122.972   33.868  113.276   10.798 9.696411 35.54737 
1 1 1   -6   26   14 o   25.962   11.267 -54.2383  440.388  3284.09  3291.20 -115.0993  444.384   87.123   33.329   25.247   11.128 61.87547 35.13734 
1 1 1   -6   26   15 o   29.749   14.297 -1374.8600  1007.79 -1160.1400  3377.59 -1395.8440  1055.88   62.475   28.781   30.651   14.704 31.82471 32.31923 
1 1 1   -6   26   16 o   44.343   18.068  454.050  1024.56 -828.1190  3850.64  551.738  1062.87   66.209   30.582   45.994   18.524 20.21527 35.75428 
1 1 1   -6   26   17 o   82.755   13.850  3012.63  897.734  2279.56  4545.44  3042.38  915.772   79.401   35.262   83.068   14.080 -3.667305 37.96897 
1 1 1   -6   26   18 o   35.136   15.565 -127.6440  880.284 -5663.2891  4798.80   65.114  895.479   56.613   28.027   37.282   16.122 19.33113 32.33313 
1 1 1   -6   26   19 o   48.997   17.422  1068.18  871.385   0.0000   0.0000  1068.18  871.385  ?   ?    48.997   17.422 0.000000 17.42160 
1 1 1   -6   26   20 o   75.062   24.925  3449.38  1773.93   0.0000   0.0000  3449.38  1773.93  ?   ?    75.062   24.925 0.000000 24.92529 
1 1 1   -6   26   21 o   46.078   21.423  267.296  1936.75   0.0000   0.0000  267.296  1936.75  ?   ?    46.078   21.423 0.000000 21.42325 
1 1 1   -6   28    1 o  348.003   31.280 51749.75  8744.15   0.0000   0.0000 51749.75  8744.15  ?   ?   348.003   31.280 0.000000 31.27958 
1 1 1   -6   28    2 f  216.391   27.353 19960.95  4698.70   0.0000   0.0000 19960.95  4698.70  ?   ?   216.391   27.353 0.000000 27.35334 
1 1 1   -6   28    3 o  356.485   33.286 54821.00  9523.16   0.0000   0.0000 54821.00  9523.16  ?   ?   356.485   33.286 0.000000 33.28555 
1 1 1   -6   28    4 o  104.279   20.041  4651.99  1635.28   0.0000   0.0000  4651.99  1635.28  ?   ?   104.279   20.041 0.000000 20.04145 
1 1 1   -6   28    5 o  321.658   21.116 43262.72  5484.46   0.0000   0.0000 43262.72  5484.46  ?   ?   321.658   21.116 0.000000 21.11643 
1 1 1   -6   28    6 o  314.958   21.268 41641.64  5407.23   0.0000   0.0000 41641.64  5407.23  ?   ?   314.958   21.268 0.000000 21.26844 
1 1 1   -6   28    7 o  110.876   18.464  5247.23  1603.85  9638.39  3212.58  3789.44  1851.03  147.710   27.806   92.836   24.280 54.87429 36.91469 
1 1 1   -6   28    8 o  272.222   18.571 31160.93  4080.25 32049.62  6471.22 30574.47  5256.89  268.767   30.175  266.231   24.596 2.536163 38.92915 
1 1 1   -6   28    9 o  113.007   17.229  5460.13  1530.92  3296.70  2797.21  6385.28  1829.19   88.662   31.247  121.728   19.139 -33.06513 36.64229 
1 1 1   -6   28   10 o  109.323   17.642  5155.23  1512.68  5419.28  3626.86  5099.63  1664.35  107.106   35.644  107.979   19.709 -0.8722687 40.72990 
1 1 1   -6   28   11 o   77.064   10.150  2487.67  619.679  2678.65  3415.56  2481.17  630.137   85.218   33.572   76.915   10.353 8.303650 35.13159 
1 1 1   -6   28   12 o  122.305   18.068  6522.15  1740.31  4671.28  4049.53  6941.42  1927.37   99.327   37.200  125.548   19.543 -26.22059 42.02097 
1 1 1   -6   28   13 o   39.236   16.961 -19.8426  990.403 -662.6431  3484.63   36.647  1033.01   65.959   29.945   40.562   17.427 25.39766 34.64698 
1 1 1   -6   28   14 o  223.307   19.046 22057.13  3420.30 19274.14  6345.83 23196.63  4060.60  179.098   43.963  225.502   22.476 -46.40359 49.37527 
1 1 1   -6   28   15 o   50.195   14.244  1110.37  607.477 -747.2567  4201.61  1150.03  613.927   68.351   31.702   51.027   14.264 17.32438 34.76313 
1 1 1   -6   28   16 o   49.261   15.266  1071.02  673.702  3706.10  4042.64  995.751  683.256   84.026   35.214   47.867   15.444 36.15958 38.45206 
1 1 1   -6   28   17 o   84.037   13.185  3126.40  870.047 -222.9641  4675.52  3246.54  885.514   67.482   31.969   85.684   13.148 -18.20175 34.56681 
1 1 1   -6   28   18 o  122.314   13.336  6687.42  1303.01   0.0000   0.0000  6687.42  1303.01  ?   ?   122.314   13.336 0.000000 13.33617 
1 1 1   -6   28   19 o   51.011   22.499  799.274  1819.69   0.0000   0.0000  799.274  1819.69  ?   ?    51.011   22.499 0.000000 22.49858 
1 1 1   -6   28   20 o   48.531   22.014  789.745  1878.38   0.0000   0.0000  789.745  1878.38  ?   ?    48.531   22.014 0.000000 22.01445 
1 1 1   -6   30    1 o  215.157   18.485 19401.13  3198.01   0.0000   0.0000 19401.13  3198.01  ?   ?   215.157   18.485 0.000000 18.48521 
1 1 1   -6   30    2 o  156.510   18.228 10324.77  2273.07   0.0000   0.0000 10324.77  2273.07  ?   ?   156.510   18.228 0.000000 18.22831 
1 1 1   -6   30    3 o  172.261   18.991 12536.36  2612.19   0.0000   0.0000 12536.36  2612.19  ?   ?   172.261   18.991 0.000000 18.99146 
1 1 1   -6   30    4 o   89.000   21.224  3469.96  1512.19  5596.03  3402.18  2946.52  1688.11  110.912   34.295   82.164   23.879 28.74796 41.78938 
1 1 1   -6   30    5 o  196.846   23.788 16788.29  3725.01 13807.47  5130.58 20111.21  5416.99  170.265   38.067  210.159   32.817 -39.89441 50.25995 
1 1 1   -6   30    6 o  167.786   25.953 12475.41  3421.59 11404.15  4496.56 13948.86  5273.50  154.348   36.460  169.292   39.145 -14.94403 53.49449 
1 1 1   -6   30    7 o   71.181   29.415  1092.69  2764.37 -400.7046  3304.29  4575.66  5046.21   67.939   30.123  105.185   40.991 -37.24580 50.86930 
1 1 1   -6   30   12 o   55.694   11.069  1335.53  482.918   0.0000   0.0000  1335.53  482.918  ?   ?    55.694   11.069 0.000000 11.06882 
1 1 1   -6   30   13 o   92.149   10.504  3585.44  771.852   0.0000   0.0000  3585.44  771.852  ?   ?    92.149   10.504 0.000000 10.50355 
1 1 1   -6   30   14 o   87.580   10.528  3257.82  733.685   0.0000   0.0000  3257.82  733.685  ?   ?    87.580   10.528 0.000000 10.52834 
1 1 1   -6   30   15 o  104.758   11.514  4712.89  963.252   0.0000   0.0000  4712.89  963.252  ?   ?   104.758   11.514 0.000000 11.51439 
1 1 1   -6   30   16 o  125.052   11.951  6793.75  1198.72   0.0000   0.0000  6793.75  1198.72  ?   ?   125.052   11.951 0.000000 11.95115 
1 1 1   -6   30   17 o   22.999   10.960 -642.3882  565.712   0.0000   0.0000 -642.3882  565.712  ?   ?    22.999   10.960 0.000000 10.95953 
1 1 1   -6   30   18 o   59.541   22.283  1981.76  1452.52   0.0000   0.0000  1981.76  1452.52  ?   ?    59.541   22.283 0.000000 22.28326 
1 1 1   -6   32    1 o  155.969   20.734 10532.09  2560.72   0.0000   0.0000 10532.09  2560.72  ?   ?   155.969   20.734 0.000000 20.73396 
1 1 1   -6   32    2 o  104.887   24.140  4950.96  2013.19   0.0000   0.0000  4950.96  2013.19  ?   ?   104.887   24.140 0.000000 24.13961 
1 1 1   -6   32    3 o  243.554   20.606 25525.32  4036.71   0.0000   0.0000 25525.32  4036.71  ?   ?   243.554   20.606 0.000000 20.60571 
1 1 1   -6   32    4 o  183.535   21.648 14684.90  3163.95 13526.40  5851.52 15163.54  3761.17  160.036   43.769  183.933   25.901 -23.89636 50.85904 
1 1 1   -6   32    5 o  211.512   21.428 19493.89  3629.24 16627.73  6446.75 20823.67  4391.17  175.729   44.989  215.662   25.575 -39.93237 51.75012 
1 1 1   -6   32    6 o  119.184   23.368  6412.07  2180.55  4402.03  4544.25  7013.33  2485.38  100.139   38.934  123.633   25.601 -23.49369 46.59679 
1 1 1   -6   32    7 o  104.506   23.739  5004.45  1968.49  9067.91  4385.86  3979.40  2202.83  131.401   38.577   92.168   27.413 39.23259 47.32517 
1 1 1   -6   32    8 o  170.068   18.816 12610.80  2554.81 18005.59  5744.75 11280.79  2852.41  184.435   39.548  158.247   22.862 26.18861 45.68053 
1 1 1   -6   32    9 o  135.033   21.984  8259.03  2327.43  9431.77  5266.58  7974.42  2594.53  126.826   42.954  130.460   25.407 -3.633400 49.90551 
1 1 1   -6   32   10 o   96.467   24.380  4424.41  1910.48  5683.36  4886.54  4197.25  2075.70  102.463   40.222   93.086   26.300 9.376572 48.05732 
1 1 1   -6   32   11 o   54.970   22.079  900.760  1505.50  4760.40  4663.86  451.804  1590.65   95.084   38.624   51.958   21.948 43.12574 44.42426 
1 1 1   -6   32   12 o  279.826   13.459 33448.75  3058.10 39556.75  8224.45 32468.79  3294.29  257.381   40.708  273.883   14.869 -16.50183 43.33897 
1 1 1   -6   32   13 o   97.602   10.309  4044.47  804.600  7695.49  5669.98  3969.44  812.826  101.828   42.107   96.592   10.535 5.236198 43.40444 
1 1 1   -6   32   14 o   30.654   12.201  241.313  455.501  1468.02  5487.84  232.804  457.078   75.085   35.282   30.537   12.201 44.54820 37.33222 
1 1 1   -6   32   15 o   33.353   13.268  313.621  538.346 -104.3607  5903.40  317.126  540.598   68.458   33.303   33.453   13.300 35.00475 35.86084 
1 1 1   -6   32   16 o   61.164   16.348  1827.71  827.491   0.0000   0.0000  1827.71  827.491  ?   ?    61.164   16.348 0.000000 16.34832 
1 1 1   -6   34    1 f   67.753   26.612  1517.14  2140.35   0.0000   0.0000  1517.14  2140.35  ?   ?    67.753   26.612 0.000000 26.61237 
1 1 1   -6   34    2 o  104.430   31.771  5329.57  2934.34   0.0000   0.0000  5329.57  2934.34  ?   ?   104.430   31.771 0.000000 31.77101 
1 1 1   -6   34    3 o  165.101   30.540 13082.11  3943.27   0.0000   0.0000 13082.11  3943.27  ?   ?   165.101   30.540 0.000000 30.53981 
1 1 1   -6   34    4 o  159.876   24.601 11684.57  3091.12   0.0000   0.0000 11684.57  3091.12  ?   ?   159.876   24.601 0.000000 24.60056 
1 1 1   -6   34    5 o  180.383   21.013 14461.40  3020.04 20149.77  6843.83 13085.85  3365.44  186.232   45.620  168.268   25.425 17.96397 52.22623 
1 1 1   -6   34    6 o   62.174   22.344  1568.57  1437.03 -854.8268  4710.21  1817.29  1508.97   74.141   34.092   65.536   22.961 8.605278 41.10348 
1 1 1   -6   34    7 f  259.778   21.141 30218.60  4420.52 26729.67  9102.99 31295.25  5056.80  193.400   55.229  260.758   24.158 -67.35852 60.28158 
1 1 1   -6   34    8 o   35.113   16.940 -1986.5291  1447.84 -1717.6180  4841.40 -2012.9410  1517.27   70.712   33.199   36.171   17.423 34.54162 37.49301 
1 1 1   -6   34    9 o   79.404   26.166  3059.34  1956.35  3006.36  6011.59  3065.61  2068.97   89.261   40.032   79.471   26.923 9.789803 48.24314 
1 1 1   -6   34   10 o   53.071   22.614  491.468  1713.76  903.898  5919.51  453.737  1790.43   80.411   37.408   53.617   22.987 26.79399 43.90688 
1 1 1   -6   34   11 o  110.236   10.462  5156.34  925.211 -145.0765  6789.57  5256.65  933.922   78.104   37.421  111.314   10.455 -33.20947 38.85437 
1 1 1   -6   34   12 o   33.841   11.728  453.270  393.176 -4007.9309  6514.10  469.582  393.894   67.440   33.250   34.232   11.746 33.20885 35.26331 
1 1 1   -6   34   13 o   55.617   13.142  1404.67  584.048  3604.36  7074.24  1389.58  586.049   78.483   37.757   55.283   13.232 23.20031 40.00890 
1 1 1   -6   34   14 o   15.139   7.5190 -835.3481  356.273 -3299.1431  7306.36 -829.4758  356.697   63.817   32.046   15.189   7.5407 48.62772 32.92128 
1 1 1   -6   34   15 o   30.076   12.781  124.005  544.665   0.0000   0.0000  124.005  544.665  ?   ?    30.076   12.781 0.000000 12.78068 
1 1 1   -6   34   16 o   44.302   20.012  393.710  1533.19   0.0000   0.0000  393.710  1533.19  ?   ?    44.302   20.012 0.000000 20.01160 
1 1 1   -6   36    1 o   51.105   22.806 -317.8105  1925.29   0.0000   0.0000 -317.8105  1925.29  ?   ?    51.105   22.806 0.000000 22.80592 
1 1 1   -6   36    2 o  128.499   30.323  8333.29  3112.80   0.0000   0.0000  8333.29  3112.80  ?   ?   128.499   30.323 0.000000 30.32305 
1 1 1   -6   36    3 o   50.115   23.003 -939.1088  2131.32   0.0000   0.0000 -939.1088  2131.32  ?   ?    50.115   23.003 0.000000 23.00327 
1 1 1   -6   36    4 o  239.960   26.573 27570.25  5090.57   0.0000   0.0000 27570.25  5090.57  ?   ?   239.960   26.573 0.000000 26.57307 
1 1 1   -6   36    5 o   55.476   23.765  451.373  1910.80   0.0000   0.0000  451.373  1910.80  ?   ?    55.476   23.765 0.000000 23.76484 
1 1 1   -6   36    6 o   64.606   26.408  1391.36  2197.53  1771.00  6814.36  1347.30  2321.56   86.816   40.304   65.151   26.942 21.66517 48.48001 
1 1 1   -6   36    7 o   82.998   28.827  3532.10  2375.96  6901.25  7106.63  3108.11  2521.03  100.310   44.341   79.221   29.414 21.08813 53.20982 
1 1 1   -6   36    8 o   83.881   28.213  3703.37  2271.95  5387.21  7367.37  3526.42  2388.34   92.987   42.714   81.963   28.875 11.02406 51.55777 
1 1 1   -6   36    9 o   94.045   29.782  4990.57  2549.74  136.956  7899.21  5555.08  2693.94   79.527   38.650   98.539   30.525 -19.01234 49.25059 
1 1 1   -6   36   10 o   69.142   27.495  2347.15  2311.08 16046.76  8531.04  1262.13  2400.86  110.675   48.769   61.843   26.569 48.83222 55.53701 
1 1 1   -6   36   11 o   71.200   27.510  2818.04  2257.68 -3735.8081  8785.31  3281.47  2336.14   69.630   34.989   75.065   28.227 -5.434883 44.95521 
1 1 1   -6   36   12 f   52.579   12.787  1269.86  540.644 -1071.2120  9032.99  1278.27  541.615   68.478   34.547   52.758   12.779 15.72063 36.83420 
1 1 1   -6   36   13 o   62.478   11.983  1781.84  585.779   0.0000   0.0000  1781.84  585.779  ?   ?    62.478   11.983 0.000000 11.98297 
1 1 1   -6   36   14 o   41.591   19.801 -699.5781  1837.81   0.0000   0.0000 -699.5781  1837.81  ?   ?    41.591   19.801 0.000000 19.80075 
1 1 1   -6   38    1 o   54.327   25.079 -845.6872  2584.33   0.0000   0.0000 -845.6872  2584.33  ?   ?    54.327   25.079 0.000000 25.07919 
1 1 1   -6   38    2 o   70.995   29.903  1861.30  2939.16   0.0000   0.0000  1861.30  2939.16  ?   ?    70.995   29.903 0.000000 29.90323 
1 1 1   -6   38    3 o  124.731   34.213  9085.77  3569.14   0.0000   0.0000  9085.77  3569.14  ?   ?   124.731   34.213 0.000000 34.21266 
1 1 1   -6   38    4 o   80.018   31.696  3340.75  3060.26   0.0000   0.0000  3340.75  3060.26  ?   ?    80.018   31.696 0.000000 31.69640 
1 1 1   -6   38    5 o  109.943   33.009  7220.37  3182.92   0.0000   0.0000  7220.37  3182.92  ?   ?   109.943   33.009 0.000000 33.00949 
1 1 1   -6   38    6 o   96.827   31.588  5623.84  2853.70   0.0000   0.0000  5623.84  2853.70  ?   ?    96.827   31.588 0.000000 31.58803 
1 1 1   -6   38    7 o   70.295   27.203  2550.99  2210.27 -3253.3000  9557.84  2878.92  2271.85   74.199   37.173   73.143   27.760 1.055244 46.39439 
1 1 1   -6   38    8 o  178.171   30.467 18568.74  4249.23 14739.74 12131.59 19104.18  4536.62   89.784   44.468  176.404   32.883 -86.61937 55.30558 
1 1 1   -6   38    9 o   53.112   24.195  251.136  2299.77 -4534.4009  8155.47  664.549  2397.04   65.178   32.874   55.872   25.150 9.306293 41.39129 
1 1 1   -6   38   10 o   61.694   27.143  1869.01  2632.91  8275.63 10734.34  1458.90  2715.88   74.349   37.527   59.779   26.852 14.57021 46.14405 
1 1 1   -6   38   11 o   37.442   18.023 -1327.6400  1616.97   0.0000   0.0000 -1327.6400  1616.97  ?   ?    37.442   18.023 0.000000 18.02267 
1 1 1   -6   40    1 o   89.857   35.880  6026.50  3950.31   0.0000   0.0000  6026.50  3950.31  ?   ?    89.857   35.880 0.000000 35.87957 
1 1 1   -6   40    2 o   69.002   31.011  2009.87  3627.56   0.0000   0.0000  2009.87  3627.56  ?   ?    69.002   31.011 0.000000 31.01072 
1 1 1   -6   40    3 o   84.394   34.961  5317.81  3919.08   0.0000   0.0000  5317.81  3919.08  ?   ?    84.394   34.961 0.000000 34.96094 
1 1 1   -6   40    4 o  108.590   39.144 10155.43  4413.60   0.0000   0.0000 10155.43  4413.60  ?   ?   108.590   39.144 0.000000 39.14425 
1 1 1   -6   40    5 f   62.013   27.703  1493.69  2848.91   0.0000   0.0000  1493.69  2848.91  ?   ?    62.013   27.703 0.000000 27.70282 
1 1 1   -6   40    6 o   60.970   28.223  1162.26  3306.00   0.0000   0.0000  1162.26  3306.00  ?   ?    60.970   28.223 0.000000 28.22292 
1 1 1   -6   40    7 o   53.049   25.066 -94.3572  2839.58   0.0000   0.0000 -94.3572  2839.58  ?   ?    53.049   25.066 0.000000 25.06610 
1 1 1   -6   40    8 o   69.446   30.686  4031.98  3400.44  1214.76 14289.80  4201.08  3501.01   64.926   33.470   69.965   31.015 -5.038612 45.63101 
1 1 1   -6   42    1 o  101.190   42.196 15400.61  5762.97   0.0000   0.0000 15400.61  5762.97  ?   ?   101.190   42.196 0.000000 42.19595 
1 1 1   -6   42    2 o   65.661   31.119  3440.67  4439.72   0.0000   0.0000  3440.67  4439.72  ?   ?    65.661   31.119 0.000000 31.11936 
1 1 1   -6   42    3 o   66.051   31.477  3982.18  4668.56   0.0000   0.0000  3982.18  4668.56  ?   ?    66.051   31.477 0.000000 31.47718 
1 1 1   -5    1    2 o  345.773   12.142 48687.03  3408.97 48091.52  4816.92 49284.57  4825.10  342.676   17.369  347.369   17.107 -4.693298 24.37883 
1 1 1   -5    1    3 o  506.013   20.078 104791.10  8249.27 105861.30 10101.10 102648.10 14294.22  507.595   24.508  495.329   35.782 12.26651 43.37032 
1 1 1   -5    1    4 o  434.694   14.988 77019.84  5289.98 76214.12  7478.76 77826.58  7483.57  431.534   21.344  436.109   21.134 -4.575348 30.03663 
1 1 1   -5    1    5 o  614.775   20.911 154391.59 10438.17 148747.30 14758.24 160041.30 14765.38  600.650   30.359  624.115   29.137 -23.46442 42.07864 
1 1 1   -5    1    6 o  178.700   7.0730 12971.10  1026.27 13426.43  1447.50 12510.87  1455.27  181.498   9.8592  175.151   10.278 6.347672 14.24205 
1 1 1   -5    1    7 o  295.731   10.579 35537.62  2540.23 36612.98  3588.42 34457.45  3596.44  300.046   14.729  290.660   15.293 9.386322 21.23225 
1 1 1   -5    1    8 o  625.320   21.150 159231.41 10738.70 154903.20 15183.26 163563.59 15190.38  615.774   30.367  632.856   29.561 -17.08252 42.37978 
1 1 1   -5    1    9 o  739.074   24.893 222617.30 14938.58 218746.50 21123.55 226490.09 21129.12  731.154   35.581  744.082   34.972 -12.92767 49.89053 
1 1 1   -5    1   10 o  239.255   8.9381 23252.68  1736.39 22710.07  2453.31 23797.33  2457.94  236.028   12.850  241.649   12.570 -5.620926 17.97572 
1 1 1   -5    1   11 o  783.414   26.376 250897.59 16777.71 252289.50 23724.74 249505.09 23729.80  782.883   37.322  778.489   37.541 4.394897 52.93629 
1 1 1   -5    1   12 o  280.819   14.677 32212.76  3335.02 31196.08  4710.75 33234.35  4722.13  275.411   21.229  284.424   20.586 -9.012909 29.57157 
1 1 1   -5    1   13 o  410.891   14.367 68850.35  4793.37 71799.93  6775.38 65894.72  6782.33  418.736   19.928  400.440   20.932 18.29587 28.90093 
1 1 1   -5    1   14 o  336.444   11.971 46122.14  3270.37 46072.24  4621.28 46172.22  4628.74  335.219   17.034  335.582   17.043 -0.3627319 24.09655 
1 1 1   -5    1   15 o  671.120   22.944 185750.30 12502.79 181462.00 17676.62 190043.30 17686.61  656.970   33.245  673.675   32.334 -16.70544 46.37590 
1 1 1   -5    1   16 o  157.815   7.2582 10130.52  930.067 10652.50  1318.44  9613.47  1312.21  161.371   10.113  153.206   10.614 8.164978 14.66060 
1 1 1   -5    1   17 o   70.215   7.9445  2032.61  444.966  2033.72  618.232  2031.41  640.937   69.703   11.311   69.584   11.763 0.1189957 16.31921 
1 1 1   -5    1   18 o  173.755   7.8127 12299.78  1102.24 12348.77  1555.46 12250.35  1562.18  173.447   11.103  172.736   11.198 0.7117462 15.76957 
1 1 1   -5    1   19 o  242.570   9.6190 24077.87  1894.56 23886.27  2702.05 24263.17  2657.13  240.191   13.914  242.200   13.566 -2.008957 19.43306 
1 1 1   -5    1   20 o   53.804   10.731  1233.46  452.347  723.685  604.439  1882.44  681.991   43.015   14.552   66.259   13.140 -23.24413 19.60685 
1 1 1   -5    1   21 o   93.229   8.4224  3599.93  630.684  3240.67  883.601  3973.05  900.482   87.254   12.857   97.148   11.648 -9.893890 17.34890 
1 1 1   -5    1   22 o  212.887   9.4483 18768.37  1633.22 18619.63  2334.58 18910.93  2285.64  209.322   13.814  211.238   13.395 -1.916595 19.24172 
1 1 1   -5    1   23 o  242.680   10.465 24671.96  2062.19 24991.08  2930.29 24358.83  2902.65  239.870   15.123  236.747   15.180 3.122391 21.42706 
1 1 1   -5    1   24 o  109.834   9.4451  5099.19  834.134  5379.27  1201.42  4838.54  1159.01  110.535   13.678  104.576   14.001 5.958778 19.57343 
1 1 1   -5    1   25 o   49.041   14.620  1115.44  625.991  925.012  863.262  1326.63  909.083   46.595   17.230   52.912   17.846 -6.317493 24.80635 
1 1 1   -5    1   26 o   43.908   14.646  912.756  612.267  1469.34  838.682  277.641  895.899   53.567   17.093   37.567   16.186 16.00063 23.54055 
1 1 1   -5    3    1 o  270.888   14.054 29990.49  3080.48 32796.13  4370.00 27219.37  4343.04  282.530   19.163  256.945   21.000 25.58502 28.42929 
1 1 1   -5    3    3 o  701.927   50.020 210436.91 28321.90 210436.91 28321.90   0.0000   0.0000  701.927   50.020  ?   ?  0.000000 50.01986 
1 1 1   -5    3    4 o  428.571   14.737 74834.40  5128.38 79878.40  7248.75 69779.59  7256.50  442.090   20.194  412.422   21.746 29.66827 29.67633 
1 1 1   -5    3    5 o  699.032   23.708 199811.91 13456.18 198732.70 19023.98 200892.50 19035.85  694.601   33.731  698.414   33.568 -3.812744 47.58736 
1 1 1   -5    3    6 o  633.435   21.486 163603.80 11050.79 165437.80 15624.69 161768.09 15631.67  635.624   30.274  628.471   30.632 7.153015 43.06828 
1 1 1   -5    3    7 o  221.149   8.2943 19865.76  1489.38 18768.91  2103.47 20968.54  2109.14  214.553   12.124  226.860   11.488 -12.30736 16.70192 
1 1 1   -5    3    8 o  484.310   23.505 95572.80  9243.22 108895.20 13070.91 82246.40 13072.88  515.295   31.390  446.711   36.357 68.58463 48.03292 
1 1 1   -5    3    9 o  746.653   25.144 227223.91 15243.67 228325.80 21553.13 226121.09 21562.50  747.001   35.535  743.355   35.724 3.646240 50.38784 
1 1 1   -5    3   10 o  500.697   17.094 101993.40  6949.37 107522.10  9822.99 96453.62  9832.80  513.603   23.555  485.690   25.018 27.91254 34.36187 
1 1 1   -5    3   11 f  623.371   21.049 158510.80 10653.93 153925.50 15060.45 163104.00 15073.44  612.744   30.271  630.917   29.424 -18.17346 42.21465 
1 1 1   -5    3   12 o  380.483   18.989 59129.98  5866.35 62553.54  8295.65 55705.39  8296.89  389.389   26.394  366.966   28.058 22.42227 38.52108 
1 1 1   -5    3   13 o  395.965   13.972 63928.41  4492.29 66025.63  6346.66 61822.71  6359.48  401.595   19.463  387.956   20.259 13.63983 28.09335 
1 1 1   -5    3   14 o  394.117   13.764 63368.44  4404.55 61554.93  6224.67 65186.98  6233.29  386.923   19.880  398.807   19.249 -11.88403 27.67248 
1 1 1   -5    3   15 o  587.143   20.196 141704.91  9628.06 146705.00 13610.99 136697.20 13621.28  593.933   28.224  572.036   29.426 21.89703 40.77329 
1 1 1   -5    3   16 o  758.721   26.040 239550.91 16041.98 247111.70 22681.93 231983.70 22691.64  761.511   36.683  735.634   38.120 25.87726 52.90381 
1 1 1   -5    3   17 o  178.502   7.9118 12972.13  1146.72 13184.12  1607.57 12752.52  1636.23  179.376   11.092  176.344   11.490 3.031662 15.97035 
1 1 1   -5    3   18 o  432.438   15.400 76977.81  5407.47 75214.19  7641.20 78747.10  7653.45  423.749   22.287  434.449   21.696 -10.70065 31.10319 
1 1 1   -5    3   19 o   85.231   7.9891  2991.58  546.436  2938.55  745.613  3053.12  803.145   83.888   11.228   85.392   11.908 -1.503159 16.36644 
1 1 1   -5    3   20 o  184.244   8.5346 13914.47  1276.78 14144.02  1822.56 13693.24  1789.18  184.449   12.239  181.483   12.213 2.966095 17.28988 
1 1 1   -5    3   21 o   38.114   12.048  598.309  417.445  945.628  592.546  256.075  588.192   47.163   14.261   34.414   13.808 12.74891 19.85057 
1 1 1   -5    3   22 o  147.053   8.7701  8963.41  1042.41  7836.29  1450.52 10167.21  1499.05  135.628   13.344  155.309   11.980 -19.68137 17.93283 
1 1 1   -5    3   23 o   92.776   9.8184  3630.48  728.395  3167.27  975.870  4213.17  1094.52   84.646   14.734   98.186   14.136 -13.54057 20.41879 
1 1 1   -5    3   24 o  116.624   9.3266  5743.00  875.791  4715.21  1193.57  6941.78  1289.04  102.704   14.735  126.272   12.747 -23.56769 19.48328 
1 1 1   -5    3   25 o   79.033   12.443  2797.94  772.070  3148.71  966.204  2178.32  1284.15   82.283   15.015   64.689   21.194 17.59483 25.97368 
1 1 1   -5    3   26 o   78.045   12.858  2836.67  786.442  2697.96  979.668  3088.07  1318.87   72.743   16.908   73.585   21.025 -0.8422775 26.98011 
1 1 1   -5    5    3 o  776.231   55.457 258123.30 34722.95 258123.30 34722.95   0.0000   0.0000  776.231   55.457  ?   ?  0.000000 55.45697 
1 1 1   -5    5    4 o  475.568   18.708 92262.32  7224.13 88686.50 12551.54 94033.66  8834.03  462.621   33.645  479.569   22.687 -16.94855 40.57899 
1 1 1   -5    5    5 o  668.583   22.211 182415.30 12057.55 187009.50 17051.73 177820.91 17052.16  675.283   31.099  658.311   31.901 16.97168 44.55153 
1 1 1   -5    5    6 o  806.064   26.998 265370.50 17670.24 271355.59 24984.91 259381.00 24994.08  812.758   37.860  794.402   38.749 18.35614 54.17413 
1 1 1   -5    5    7 o  1065.54   36.078 465174.31 31214.48 481148.19 44137.86 449191.69 44150.02  1079.04   50.378  1040.60   52.421 38.43872 72.70403 
1 1 1   -5    5    8 o  1024.07   49.405 432314.31 41080.32 452494.31 58074.06 412103.41 58118.66  1038.02   69.301  988.652   72.914 49.36896 100.5936 
1 1 1   -5    5    9 o  1549.15   51.681 990930.69 65007.14 999225.31 91928.00 982634.12 91939.95  1542.52   73.397  1529.21   74.046 13.31116 104.2586 
1 1 1   -5    5   10 o  479.594   16.149 93573.22  6288.57 95575.77  8887.54 91565.43  8899.23  484.220   22.605  473.908   23.127 10.31241 32.33938 
1 1 1   -5    5   11 o  439.178   15.030 78521.91  5359.75 81428.73  7574.40 75606.75  7585.28  446.660   20.885  429.750   21.809 16.90985 30.19653 
1 1 1   -5    5   12 o   21.249   9.8611 -362.4430  407.378 -114.8100  590.188 -587.7962  563.012   29.847   12.998   24.204   11.350 5.643110 17.25584 
1 1 1   -5    5   13 o  119.996   6.3944  5867.89  620.781  6243.26  873.148  5484.21  882.765  123.591   8.7576  115.722   9.4780 7.869370 12.90455 
1 1 1   -5    5   14 o  146.536   6.6790  8728.00  794.688  8524.55  1106.55  8944.69  1142.01  144.421   9.4891  147.946   9.5578 -3.524353 13.46823 
1 1 1   -5    5   15 o  111.080   6.5888  5033.83  591.614  6127.52  822.384  3860.69  851.724  122.438   8.3216   96.708   11.045 25.72996 13.82884 
1 1 1   -5    5   16 o  120.115   6.6962  5885.59  650.479  5940.34  894.592  5824.16  947.521  120.418   9.2195  119.146   9.8834 1.271233 13.51598 
1 1 1   -5    5   17 o  175.656   7.9340 12563.29  1131.60 13310.44  1588.17 11792.82  1612.76  180.246   10.903  169.483   11.793 10.76228 16.06065 
1 1 1   -5    5   18 o   65.942   8.3643  1801.10  437.781  1812.24  563.782  1784.19  694.773   65.704   10.953   64.727   13.649 0.9770737 17.50081 
1 1 1   -5    5   19 o  209.549   8.7211 17956.73  1483.87 17439.74  2083.43 18488.98  2113.93  205.350   12.556  211.517   12.362 -6.166855 17.62016 
1 1 1   -5    5   20 o   79.276   8.2999  2603.17  526.338  2596.88  694.789  2611.66  806.307   78.546   11.212   78.279   13.152 0.2667847 17.28278 
1 1 1   -5    5   21 o  105.405   8.2493  4593.54  700.391  5046.71  941.661  4032.41  1047.83  109.864   10.692   97.168   13.658 12.69580 17.34506 
1 1 1   -5    5   22 o   32.263   12.885  241.244  509.592 -56.7059  609.196  935.568  929.965   30.469   13.237   49.466   17.947 -18.99756 22.30049 
1 1 1   -5    5   23 o   93.367   10.022  3685.61  747.921  3598.89  942.337  3833.23  1229.47   90.993   13.135   92.005   17.087 -1.012550 21.55173 
1 1 1   -5    5   24 o   20.386   9.7140 -540.0208  444.366 -176.1248  536.058 -1339.3230  794.472   26.762   11.982   24.720   12.068 2.041300 17.00578 
1 1 1   -5    5   25 o   73.347   11.864  2403.31  682.434  2465.44  844.716  2286.56  1157.97   72.547   14.840   66.573   19.892 5.973419 24.81836 
1 1 1   -5    5   26 o  117.534   10.742  6172.61  1013.84  6540.04  1304.06  5611.21  1611.94  117.500   13.940  101.150   20.332 16.35002 24.65186 
1 1 1   -5    7    1 o  279.626   14.752 31937.55  3337.50 30637.93  4725.42 33231.13  4714.46  272.920   21.498  284.458   20.550 -11.53775 29.73980 
1 1 1   -5    7    2 o  230.662   12.643 21714.92  2358.95 20004.06  3345.97 23405.66  3326.24  220.613   18.860  238.979   17.258 -18.36517 25.56443 
1 1 1   -5    7    3 o  217.738   12.081 19341.96  2127.57 16911.75  3032.18 21698.77  2986.03  202.816   18.620  230.260   16.072 -27.44345 24.59740 
1 1 1   -5    7    4 o  394.669   19.630 63484.97  6290.67 59061.57  8921.30 67859.23  8871.61  378.675   29.242  406.453   27.036 -27.77811 39.82460 
1 1 1   -5    7    5 o  751.899   29.177 231163.00 17813.35 240115.80 30915.22 226713.41 21795.13  759.432   50.422  743.227   36.116 16.20526 62.02220 
1 1 1   -5    7    6 o  604.595   23.536 148996.20 11553.88 148975.20 20064.08 149006.59 14132.21  600.677   41.390  604.015   28.815 -3.337891 50.43298 
1 1 1   -5    7    7 o  768.951   25.470 241060.91 15902.76 247433.59 22488.60 234686.70 22491.20  777.495   35.623  757.033   36.590 20.46143 51.06648 
1 1 1   -5    7    8 o  499.214   16.340 101344.10  6623.39 98257.42  9362.27 104436.90  9371.51  491.122   23.478  506.380   22.793 -15.25748 32.72158 
1 1 1   -5    7    9 o  558.646   18.144 126989.90  8230.25 126812.80 11636.61 127167.30 11642.05  557.620   25.701  558.401   25.677 -0.7810669 36.32975 
1 1 1   -5    7   10 o  484.228   16.277 95433.00  6399.56 99113.62  9047.59 91747.90  9053.10  492.902   22.607  474.140   23.515 18.76273 32.61947 
1 1 1   -5    7   11 o  189.083   7.4156 14526.68  1138.50 15975.47  1598.30 13034.36  1622.14  197.972   9.9750  178.662   11.239 19.31052 15.02734 
1 1 1   -5    7   12 o  474.542   16.353 91926.78  6301.04 87626.63  8902.83 96242.81  8919.24  461.294   23.851  484.330   22.680 -23.03671 32.91271 
1 1 1   -5    7   13 o  487.128   16.638 96978.38  6580.83 91825.39  9299.19 102148.10  9314.22  471.626   24.367  498.440   23.014 -26.81393 33.51691 
1 1 1   -5    7   14 o  486.160   17.193 96752.78  6786.97 98455.90  9589.27 95043.27  9607.21  488.455   24.178  479.116   24.780 9.338867 34.62142 
1 1 1   -5    7   15 o  272.255   10.187 30197.19  2252.02 29066.99  3173.51 31343.68  3196.30  266.209   14.739  276.551   14.283 -10.34250 20.52433 
1 1 1   -5    7   16 o  323.832   11.932 42818.44  3137.32 42619.34  4419.75 43020.65  4454.12  321.707   16.980  323.208   17.032 -1.500916 24.05053 
1 1 1   -5    7   17 o  266.083   10.282 28894.56  2221.35 29123.86  3123.77 28660.00  3159.45  266.065   14.514  263.860   14.807 2.204407 20.73413 
1 1 1   -5    7   18 o  200.944   8.7149 16478.66  1421.92 18307.04  2036.28 14738.70  1986.43  210.992   11.935  189.002   13.024 21.99002 17.66499 
1 1 1   -5    7   19 o  119.419   7.5749  5847.76  730.691  6320.79  990.346  5282.61  1082.50  123.745   9.9404  112.602   12.026 11.14291 15.60225 
1 1 1   -5    7   20 o  138.885   8.0043  7931.12  898.821  6969.24  1233.42  9020.31  1312.51  129.156   11.895  147.334   11.052 -18.17790 16.23693 
1 1 1   -5    7   21 o  184.253   8.5334 13977.06  1276.65 12984.11  1778.99 15031.40  1833.15  175.770   12.547  189.458   11.978 -13.68796 17.34680 
1 1 1   -5    7   22 o   57.203   12.257  1426.34  552.148  1270.12  662.938  1780.15  997.643   53.619   14.760   62.805   18.387 -9.185619 23.57899 
1 1 1   -5    7   23 o   55.178   12.743  1348.30  559.401  1247.77  640.666  1670.88  1147.63   52.783   14.502   60.532   20.046 -7.748707 24.74141 
1 1 1   -5    7   24 o   70.733   11.101  2181.92  616.598  1708.95  757.748  3108.89  1060.81   60.733   15.357   81.702   16.558 -20.96861 22.58293 
1 1 1   -5    7   25 o   35.167   12.999  478.111  491.265  544.646  545.601  193.088  1129.25   37.108   13.702   40.802   17.868 -3.694557 22.51675 
1 1 1   -5    7   26 o   32.037   13.053  303.045  534.659  303.045  534.659   0.0000   0.0000   32.037   13.053  ?   ?  0.000000 13.05267 
1 1 1   -5    9    1 o  676.685   26.716 187294.80 14678.78 181124.50 25401.80 190388.20 17985.77  658.456   47.838  681.030   32.526 -22.57373 57.84820 
1 1 1   -5    9    2 o  621.693   30.302 158313.00 15296.07 149897.41 21652.20 166697.20 21611.68  600.257   44.746  633.982   42.225 -33.72437 61.52357 
1 1 1   -5    9    3 f  228.385   12.600 21269.79  2327.57 20429.10  3309.42 22092.69  3274.22  223.237   18.422  232.313   17.486 -9.076202 25.39969 
1 1 1   -5    9    4 o  223.456   12.365 20358.19  2234.79 18974.53  3191.90 21688.68  3129.96  215.114   18.453  230.262   16.858 -15.14845 24.99416 
1 1 1   -5    9    5 o  442.736   21.897 79848.27  7871.70 75608.48 11171.76 84028.63 11093.19  428.780   32.326  452.475   30.370 -23.69452 44.35468 
1 1 1   -5    9    6 o  1562.93   75.985 1028593.00 96428.51 1045396.00 136464.20 1011835.00 136277.00  1543.06  109.631  1516.06  111.487 26.99695 156.3595 
1 1 1   -5    9    7 o  205.059   16.113 17203.78  2661.22   0.0000   0.0000 17203.78  2661.22  ?   ?   205.059   16.113 0.000000 16.11293 
1 1 1   -5    9    8 o  783.739   30.155 250868.91 19189.81 286678.09 33314.47 233087.59 23475.63  832.213   49.525  753.083   38.521 79.12994 62.74219 
1 1 1   -5    9    9 o  980.592   32.953 393907.91 26237.75 410076.50 37104.30 377736.81 37107.26  996.339   45.865  954.317   48.042 42.02148 66.41990 
1 1 1   -5    9   10 o  464.141   15.774 87732.87  5944.52 92768.13  8404.53 82692.10  8409.12  476.610   21.718  449.222   23.133 27.38794 31.72977 
1 1 1   -5    9   11 o  227.171   12.708 21078.14  2334.61 19042.06  3357.72 22983.64  3248.27  214.974   19.447  236.710   17.014 -21.73576 25.83894 
1 1 1   -5    9   12 o  440.476   16.031 79220.95  5733.45 82255.30  8105.06 76181.71  8111.59  447.639   22.299  429.967   23.322 17.67181 32.26694 
1 1 1   -5    9   13 o  564.081   19.768 130478.60  9054.08 132864.70 12800.94 128089.90 12807.86  566.452   27.832  555.236   28.505 11.21588 39.83924 
1 1 1   -5    9   14 o  397.157   13.710 64401.02  4421.11 62268.34  6246.02 66542.41  6258.79  388.835   19.849  402.627   19.145 -13.79163 27.57757 
1 1 1   -5    9   15 o  560.288   18.662 129044.90  8490.03 117993.60 11999.03 140124.50 12014.41  531.033   27.926  580.748   25.479 -49.71594 37.80271 
1 1 1   -5    9   16 o  456.562   15.653 85522.88  5802.87 78659.48  8197.77 92415.62  8215.26  434.513   23.321  472.452   21.415 -37.93900 31.66195 
1 1 1   -5    9   17 o  386.726   13.877 61359.47  4357.41 61372.38  6155.33 61346.51  6169.32  384.216   19.798  384.112   19.848 0.1042175 28.03417 
1 1 1   -5    9   18 o  128.669   7.6470  6776.22  795.329  8465.33  1139.79  5173.34  1110.32  143.518   9.8404  111.526   12.475 31.99181 15.88890 
1 1 1   -5    9   19 o   52.943   9.2372  1182.02  382.645  1409.78  456.298  642.341  702.396   57.765   10.096   42.898   15.592 14.86777 18.57548 
1 1 1   -5    9   20 o   41.948   10.636  755.156  362.759  739.360  426.133  796.734  691.352   41.693   11.963   45.193   15.558 -3.499142 19.62580 
1 1 1   -5    9   21 o  102.410   8.7395  4355.36  719.768  3713.01  890.131  5568.70  1223.37   93.551   11.995  114.297   13.439 -20.74629 18.01302 
1 1 1   -5    9   22 o  171.771   8.8031 12255.88  1223.66 11225.34  1666.57 13461.33  1802.45  162.372   12.743  178.007   12.551 -15.63562 17.88617 
1 1 1   -5    9   23 o   27.177   11.221  113.426  401.752  294.331  443.750 -708.8466  946.067   31.490   12.188   32.005   14.911 -0.5144482 19.25844 
1 1 1   -5    9   24 o  118.456   9.7072  5982.49  925.466  5346.89  1202.28  6906.78  1449.82  109.315   13.856  123.690   14.725 -14.37484 20.21955 
1 1 1   -5    9   25 o   15.361   7.6017 -767.2620  351.736 -773.5192  363.438 -674.7645  1397.35   15.727   7.7726   38.117   17.876 -22.38913 19.49312 
1 1 1   -5    9   26 o   70.804   12.884  2396.15  713.432  2396.15  713.432   0.0000   0.0000   70.804   12.884  ?   ?  0.000000 12.88424 
1 1 1   -5   11    1 o  238.394   10.909 23093.35  2111.61 24256.98  3652.14 22509.02  2588.05  243.411   18.620  234.906   13.627 8.505219 23.07386 
1 1 1   -5   11    2 o  1193.70   85.055 611497.31 81899.69 611497.31 81899.69   0.0000   0.0000  1193.70   85.055  ?   ?  0.000000 85.05492 
1 1 1   -5   11    3 o  672.373   32.596 184895.80 17795.77 180970.59 25193.91 188804.30 25140.22  660.927   47.258  675.468   46.114 -14.54114 66.02892 
1 1 1   -5   11    4 o  756.360   36.594 234301.20 22473.73 226542.09 31819.36 242024.70 31746.08  738.275   53.442  763.830   51.487 -25.55530 74.20868 
1 1 1   -5   11    5 o  933.481   44.144 358035.31 33459.51 402115.09 47366.05 314130.59 47271.86  982.777   59.639  864.963   67.852 117.8141 90.33716 
1 1 1   -5   11    6 o  563.402   39.183 130685.00 17813.32   0.0000   0.0000 130685.00 17813.32  ?   ?   563.402   39.183 0.000000 39.18310 
1 1 1   -5   11    7 o  847.029   34.010 293502.91 23390.66 295850.69 40634.67 292339.41 28605.15  841.776   59.841  843.726   41.755 -1.949646 72.96861 
1 1 1   -5   11    8 o  609.179   24.087 151371.09 11914.41 159088.70 20751.27 147575.80 14552.00  620.343   41.436  600.740   29.833 19.60229 51.05853 
1 1 1   -5   11    9 o  315.129   13.093 40397.36  3350.09 44125.48  5928.91 38648.78  4060.42  327.969   22.398  307.636   16.314 20.33371 27.70923 
1 1 1   -5   11   10 o  528.622   25.496 114682.50 10943.30 121202.20 15570.73 108318.90 15383.29  539.541   35.745  509.306   37.462 30.23502 51.77925 
1 1 1   -5   11   11 o   86.139   7.0775  3035.92  490.640  4026.28  971.267  2696.62  568.510   98.656   12.399   80.959   8.7896 17.69730 15.19824 
1 1 1   -5   11   12 o   69.677   14.163  2052.01  773.985  1419.59  1500.06  2281.46  903.547   63.738   22.837   73.367   15.645 -9.628437 27.68219 
1 1 1   -5   11   13 o  277.303   9.1825 31292.82  2067.54 28333.21  2921.10 34264.02  2926.81  263.128   13.720  289.883   12.435 -26.75494 18.51627 
1 1 1   -5   11   14 o  205.572   7.9133 17192.32  1320.88 17432.87  1863.10 16949.23  1872.94  206.497   11.153  203.575   11.376 2.921799 15.93151 
1 1 1   -5   11   15 o   58.262   7.4122  1403.22  342.707  1684.53  433.895  936.673  558.779   63.750   8.6019   47.380   13.730 16.37019 16.20169 
1 1 1   -5   11   16 o  110.187   7.0158  4960.54  624.421  6406.64  859.183  3341.69  909.054  125.119   8.5077   89.477   12.884 35.64152 15.43934 
1 1 1   -5   11   17 o  181.383   7.9318 13410.31  1168.17 13579.04  1616.33 13225.79  1690.22  181.862   10.998  179.346   11.670 2.516403 16.03578 
1 1 1   -5   11   18 o  219.131   8.9764 19644.88  1597.15 21273.27  2255.70 18007.80  2261.72  226.958   12.286  208.406   13.437 18.55243 18.20744 
1 1 1   -5   11   19 o   87.131   7.6311  3129.77  534.437  3360.71  692.981  2790.80  839.552   89.920   9.6418   80.977   13.225 8.942947 16.36686 
1 1 1   -5   11   20 o  134.672   8.0174  7472.54  872.729  8376.60  1185.05  6401.15  1290.07  141.941   10.354  123.072   13.112 18.86907 16.70670 
1 1 1   -5   11   21 o   35.494   11.682  508.284  389.997  441.787  423.867  875.189  995.653   34.430   12.160   49.400   18.457 -14.96951 22.10256 
1 1 1   -5   11   22 o   97.323   8.6423  3957.53  675.834  3693.95  814.142  4541.73  1212.07   93.199   10.968  101.543   15.166 -8.343407 18.71624 
1 1 1   -5   11   23 o  133.523   8.7976  7480.71  948.459  7957.89  1237.69  6801.84  1476.28  136.338   11.282  123.562   15.024 12.77560 18.78791 
1 1 1   -5   11   24 o   26.655   11.434   28.329  443.412   60.683  481.935 -150.1217  1131.84   28.131   11.990   38.604   17.338 -10.47243 21.07967 
1 1 1   -5   11   25 o   25.943   10.929   92.506  392.725   81.615  406.461  245.513  1523.53   26.123   11.068   44.444   20.024 -18.32132 22.87925 
1 1 1   -5   13    1 o  1223.06   48.027 615993.31 47694.94 595793.88 82615.35 626091.12 58412.26  1181.41   86.730  1228.83   58.543 -47.42273 104.6390 
1 1 1   -5   13    2 o  1539.68  112.001 1040863.00 139060.59 1040863.00 139060.59   0.0000   0.0000  1539.68  112.001  ?   ?  0.000000 112.0006 
1 1 1   -5   13    3 o  1052.27   50.933 456569.50 43517.05 439584.91 61582.13 473510.31 61502.74  1021.00   74.804  1061.39   71.787 -40.38214 103.6771 
1 1 1   -5   13    4 o  569.900   27.663 132466.59 12801.00 139385.59 18143.96 125609.20 18063.02  582.085   38.608  552.050   40.582 30.03473 56.01294 
1 1 1   -5   13    5 o  640.120   44.541 169212.41 23006.12   0.0000   0.0000 169212.41 23006.12  ?   ?   640.120   44.541 0.000000 44.54074 
1 1 1   -5   13    6 o  404.668   19.845 66666.40  6520.47 75967.92  9287.15 57623.96  9156.90  430.681   26.689  374.320   30.390 56.36090 40.44585 
1 1 1   -5   13    7 o  452.050   19.934 83250.34  7316.91 73147.74 12841.48 88106.95  8903.60  420.164   38.054  464.120   23.705 -43.95523 44.83330 
1 1 1   -5   13    8 o   58.001   7.1654  1387.40  330.276  2377.00  788.818  1177.03  363.689   75.316   13.389   53.125   8.7350 22.19147 15.98677 
1 1 1   -5   13    9 o  274.182   12.071 30594.22  2687.39 27818.53  4815.04 31850.05  3238.77  259.618   23.082  279.251   14.332 -19.63303 27.16998 
1 1 1   -5   13   10 o  238.223   10.228 23089.91  1978.43 25757.48  3580.41 21917.40  2373.74  250.447   17.721  231.618   12.670 18.82924 21.78449 
1 1 1   -5   13   11 o  280.632   12.235 32085.89  2787.99 29352.82  5004.52 33315.83  3357.21  266.190   23.392  285.389   14.536 -19.19904 27.54024 
1 1 1   -5   13   12 o  412.079   16.880 69469.06  5647.82 68404.54  9951.49 69974.85  6859.58  404.364   30.535  412.838   20.463 -8.474640 36.75748 
1 1 1   -5   13   13 o   13.137   6.5560 -759.7158  284.420 -421.1259  824.305 -805.4741  303.030   32.714   14.735   13.584   6.7771 19.13034 16.21874 
1 1 1   -5   13   14 o  519.133   20.593 111120.40  8680.17 123208.40 15239.43 105315.40 10560.70  537.845   35.088  502.497   25.972 35.34830 43.65455 
1 1 1   -5   13   15 o  224.569   9.0284 20547.23  1646.26 20649.42  2333.64 20445.99  2322.73  224.357   12.864  223.244   12.868 1.112762 18.19547 
1 1 1   -5   13   16 o   94.710   6.8273  3669.84  521.511  4651.72  675.980  2226.15  819.672  106.572   7.8674   72.387   14.452 34.18458 16.45448 
1 1 1   -5   13   17 o  104.461   7.1031  4468.02  598.895  5244.04  824.940  3603.22  870.855  112.930   9.0731   92.982   11.800 19.94773 14.88528 
1 1 1   -5   13   18 o   80.168   7.4689  2648.38  480.586  2544.17  591.402  2850.98  824.630   78.196   9.5103   82.110   12.785 -3.913528 15.93415 
1 1 1   -5   13   19 o   73.146   7.7226  2215.88  451.723  2419.67  546.320  1775.41  803.167   76.215   9.0019   63.710   15.641 12.50484 18.04666 
1 1 1   -5   13   20 o   56.998   8.7411  1368.33  391.634  1187.81  438.284  2083.47  872.347   52.608   10.626   68.649   15.954 -16.04092 19.16865 
1 1 1   -5   13   21 o  126.085   8.0962  6585.96  824.484  6163.21  1064.42  7220.04  1303.60  120.950   10.957  130.309   12.473 -9.359474 16.60238 
1 1 1   -5   13   22 o   58.323   16.003  1545.26  780.767  1014.96  857.996  4099.55  1883.04   49.372   17.313   90.088   24.908 -40.71620 30.33412 
1 1 1   -5   13   23 o  141.508   8.7480  8424.43  1000.22  7719.03  1278.77  9536.11  1605.33  133.452   11.927  147.075   13.597 -13.62311 18.08638 
1 1 1   -5   13   24 o   29.645   11.868  235.331  433.391  228.288  453.023  311.339  1488.31   29.946   12.082   45.949   20.303 -16.00375 23.62552 
1 1 1   -5   13   25 o   36.800   11.312  619.378  370.781  801.134  381.746 -2408.7180  1558.17   41.574   11.100   32.216   15.953 9.357372 19.43464 
1 1 1   -5   15    1 o  852.477   33.559 297081.19 23228.88 314075.50 40252.89 288596.19 28442.63  869.014   57.370  838.631   41.770 30.38257 70.96467 
1 1 1   -5   15    2 o  462.994   23.046 87319.50  8663.69   0.0000   0.0000 87319.50  8663.69  ?   ?   462.994   23.046 0.000000 23.04565 
1 1 1   -5   15    3 f  350.155   25.802 50263.79  7284.19   0.0000   0.0000 50263.79  7284.19  ?   ?   350.155   25.802 0.000000 25.80202 
1 1 1   -5   15    4 o  761.839   36.644 237918.80 22667.31 252240.50 32114.97 223701.09 31998.17  779.355   51.032  732.696   54.169 46.65906 74.42128 
1 1 1   -5   15    5 o  384.786   19.360 60450.18  6029.45 67843.27  8590.17 53270.85  8465.07  406.796   26.145  359.784   29.230 47.01233 39.21657 
1 1 1   -5   15    6 o  778.393   37.532 249705.20 23721.36 262076.91 33620.04 237440.20 33474.57  790.152   52.705  750.688   55.308 39.46399 76.39852 
1 1 1   -5   15    7 o  494.455   24.153 100065.10  9697.05 107880.90 13804.52 92451.73 13624.65  510.463   33.491  471.707   35.841 38.75607 49.05326 
1 1 1   -5   15    8 o  417.469   18.708 71198.46  6341.36 58188.37 11190.61 77352.21  7696.33  372.174   37.544  434.098   21.906 -61.92322 43.46776 
1 1 1   -5   15    9 o  304.943   17.320 38112.47  4270.82 30753.20  6265.52 44499.36  5836.93  271.391   28.877  328.678   21.998 -57.28638 36.30134 
1 1 1   -5   15   10 f  317.867   14.210 41215.43  3667.64 36130.59  6580.64 43506.61  4417.33  294.400   27.860  325.861   16.752 -31.46112 32.50884 
1 1 1   -5   15   11 f  450.283   17.220 82964.71  6295.82 99793.70 11140.40 75067.84  7631.31  489.903   28.124  426.690   22.102 63.21393 35.76971 
1 1 1   -5   15   12 o  211.176   10.117 18161.62  1734.72 17225.27  3251.10 18534.31  2051.10  203.818   19.899  212.875   11.914 -9.056961 23.19289 
1 1 1   -5   15   13 o  574.799   23.905 136856.09 11157.07 125063.20 19560.72 142542.91 13583.32  534.196   45.531  584.096   28.641 -49.90076 53.79033 
1 1 1   -5   15   14 o  123.938   8.4860  6283.96  848.841  4656.38  1851.12  6717.31  955.186  104.071   22.557  128.073   9.2475 -24.00221 24.37913 
1 1 1   -5   15   15 o  105.982   8.4730  4605.69  723.041  5627.00  1584.80  4337.23  812.534  115.614   17.423  102.640   9.8714 12.97424 20.02510 
1 1 1   -5   15   16 o   32.052   12.094  306.131  429.677  272.890  1336.34  309.964  453.773   48.959   20.359   32.672   12.405 16.28754 23.84072 
1 1 1   -5   15   17 o  154.049   10.274  9778.91  1277.78 11637.49  2900.55  9331.37  1423.33  163.940   22.374  150.118   11.771 13.82227 25.28182 
1 1 1   -5   15   18 o  260.815   12.330 28200.26  2611.07 33888.32  5108.09 26188.35  3037.95  278.303   22.805  249.667   15.056 28.63629 27.32702 
1 1 1   -5   15   19 o  126.888   10.429  6704.76  1064.96  7879.82  2535.88  6453.15  1173.45  130.798   24.785  124.036   11.793 6.762039 27.44747 
1 1 1   -5   15   20 o   96.856   14.324  4055.94  1092.52  4856.63  2800.55  3912.22  1186.53   97.675   31.242   94.384   16.058 3.290741 35.12726 
1 1 1   -5   15   21 o  170.351   8.9058 12077.05  1227.57 12968.51  1665.71 11017.32  1816.11  174.956   11.794  159.739   14.148 15.21700 18.41971 
1 1 1   -5   15   22 o   25.196   10.037  149.080  308.434  339.077  328.517 -1263.9050  895.890   30.105   10.698   27.487   13.277 2.617861 17.05055 
1 1 1   -5   15   23 o   77.389   9.3385  2567.26  574.949  2624.38  653.559  2371.74  1209.17   77.664   10.644   68.479   20.297 9.185295 22.91862 
1 1 1   -5   15   24 o   83.859   23.693  4129.92  1684.57   0.0000   0.0000  4129.92  1684.57  ?   ?    83.859   23.693 0.000000 23.69311 
1 1 1   -5   17    1 o  245.417   11.675 24481.38  2326.53 25700.57  4073.49 23891.14  2834.28  250.351   20.211  241.932   14.495 8.419647 24.87180 
1 1 1   -5   17    2 o  768.637   30.596 241937.59 19094.97 241485.50 33093.38 242163.20 23379.43  759.274   54.032  767.333   37.524 -8.058716 65.78356 
1 1 1   -5   17    3 o  418.340   21.306 71566.93  7213.32 74858.32 10263.95 68354.84 10139.54  426.429   29.831  407.182   30.899 19.24673 42.94939 
1 1 1   -5   17    4 o  1055.89   51.388 467004.00 44057.50 494882.81 62380.18 439256.31 62233.51  1068.99   72.292  1002.68   77.029 66.31592 105.6397 
1 1 1   -5   17    5 o  512.207   24.961 107461.10 10381.23 122100.20 14773.01 93180.05 14591.24  543.030   33.671  472.677   38.349 70.35251 51.03269 
1 1 1   -5   17    6 o  605.916   29.194 151228.20 14362.75 170401.30 20411.34 132423.91 20214.10  638.218   39.583  559.947   44.836 78.27094 59.80892 
1 1 1   -5   17    7 o  141.999   10.851  8252.99  1241.60  8150.10  1860.18  8335.65  1667.38  140.329   16.650  142.242   14.646 -1.912720 22.17529 
1 1 1   -5   17    8 f  623.759   24.482 160038.59 12399.36 165363.80 21736.08 157469.70 15096.65  624.265   43.147  616.665   30.150 7.599487 52.63724 
1 1 1   -5   17    9 o  220.087   10.091 19713.54  1803.30 21435.00  3411.71 19046.15  2124.29  228.088   18.583  215.869   12.169 12.21912 22.21320 
1 1 1   -5   17   10 o  355.341   15.358 51589.54  4431.10 48350.21  7953.01 53047.80  5336.07  340.073   29.082  359.387   18.347 -19.31317 34.38540 
1 1 1   -5   17   11 o  138.928   8.7252  7885.02  979.251  4658.39  1969.27  8944.99  1128.69  104.196   23.798  147.934   9.4459 -43.73734 25.60437 
1 1 1   -5   17   12 f  327.958   14.192 43976.39  3779.15 42702.61  6877.29 44527.42  4523.30  319.271   26.776  329.081   16.986 -9.809540 31.70958 
1 1 1   -5   17   13 f  442.710   19.492 80805.43  7006.85 65968.13 12466.68 87656.81  8471.54  388.903   40.052  459.850   22.689 -70.94714 46.03217 
1 1 1   -5   17   14 o  133.179   8.5262  7255.65  917.156  9843.37  2075.89  6628.01  1022.35  153.753   16.907  127.076   9.9888 26.67664 19.63766 
1 1 1   -5   17   15 o   84.066   9.4473  2921.26  633.697  1963.42  1632.06  3091.31  687.649   70.480   23.911   86.421   9.9833 -15.94116 25.91178 
1 1 1   -5   17   16 o  118.095   9.3619  5742.61  890.355  7696.75  2342.56  5412.65  962.593  133.045   22.486  114.424   10.477 18.62170 24.80705 
1 1 1   -5   17   17 o  189.497   10.647 14833.80  1631.53 16857.20  3491.85 14268.70  1845.35  196.633   22.263  185.295   12.336 11.33784 25.45200 
1 1 1   -5   17   18 o   33.198   13.510  197.242  571.989 -2420.1321  1639.85  559.798  610.320   37.013   17.898   39.911   14.530 -2.898457 23.05375 
1 1 1   -5   17   19 o  110.316   12.096  5143.69  1065.69  6125.10  2795.08  4976.76  1152.77  110.748   30.235  108.001   13.436 2.747322 33.08549 
1 1 1   -5   17   20 o   65.192   18.160  1931.77  996.953 -939.0327  2862.09  2328.20  1063.56   57.677   26.542   71.406   18.269 -13.72890 32.22138 
1 1 1   -5   17   21 o   77.482   15.954  2717.26  970.302  2756.48  2846.09  2712.10  1032.14   76.168   30.440   76.929   16.979 -0.7611084 34.85512 
1 1 1   -5   17   22 o  104.643   14.581  4914.80  1205.21 10376.47  3988.52  4366.00  1264.31  122.937   36.961   97.205   16.616 25.73277 40.52362 
1 1 1   -5   17   23 f  108.033   22.362  6210.54  1896.92   0.0000   0.0000  6210.54  1896.92  ?   ?   108.033   22.362 0.000000 22.36161 
1 1 1   -5   17   24 o   54.712   21.827  1663.76  1460.74   0.0000   0.0000  1663.76  1460.74  ?   ?    54.712   21.827 0.000000 21.82704 
1 1 1   -5   19    1 o  852.877   34.176 300655.59 23666.91 304084.50 41077.83 298951.81 28955.82  840.047   60.631  846.559   42.125 -6.511902 73.82829 
1 1 1   -5   19    2 o  539.747   22.055 119208.50  9665.97 125183.10 16795.40 116249.60 11819.58  547.677   38.004  531.169   27.499 16.50708 46.90924 
1 1 1   -5   19    3 o  389.705   16.786 61959.68  5311.42 67450.84  9217.81 59230.29  6498.75  403.848   28.289  379.905   21.152 23.94373 35.32239 
1 1 1   -5   19    4 o  446.503   22.783 81941.20  8232.31 85744.85 11740.04 78261.70 11546.85  454.104   32.046  433.406   33.061 20.69827 46.04326 
1 1 1   -5   19    5 o  181.200   12.447 13434.61  1820.19 12581.34  2681.05 14164.16  2479.06  174.340   19.261  185.528   16.633 -11.18719 25.44913 
1 1 1   -5   19    6 f  437.123   32.773 79800.20 11547.46 79800.20 11547.46   0.0000   0.0000  437.123   32.773  ?   ?  0.000000 32.77309 
1 1 1   -5   19    7 o   59.409   13.463  1496.21  634.442  1834.04  1037.80  1294.60  801.698   66.053   18.574   55.889   16.518 10.16492 24.85579 
1 1 1   -5   19    8 f  103.822   10.990  4438.34  912.370  4706.92  1381.58  4230.64  1214.99  106.060   16.586  100.648   15.353 5.411453 22.60149 
1 1 1   -5   19    9 o  472.121   17.915 91316.68  6867.56 103080.20 12242.68 85915.52  8295.68  496.509   30.515  456.795   22.366 39.71335 37.83437 
1 1 1   -5   19   10 o  603.104   25.547 150736.91 12510.51 138462.91 22025.59 156582.91 15200.56  561.474   48.798  611.993   30.590 -50.51917 57.59296 
1 1 1   -5   19   11 o  237.017   9.8587 22886.88  1897.31 28487.28  3671.28 20846.07  2216.21  262.928   17.293  225.678   12.139 37.25037 21.12827 
1 1 1   -5   19   12 o   25.564   10.372  105.654  335.921 -2337.5779  1151.20  333.052  351.206   28.938   14.210   30.972   11.055 -2.033510 18.00369 
1 1 1   -5   19   13 o  329.860   14.955 44658.50  4005.38 37536.75  7401.81 47607.47  4763.00  295.639   31.311  339.524   17.335 -43.88492 35.78946 
1 1 1   -5   19   14 o  114.152   9.0988  5351.14  836.347  1494.08  2011.47  6157.33  919.608   68.801   26.118  122.468   9.3178 -53.66711 27.73055 
1 1 1   -5   19   15 o  348.914   15.125 50427.63  4285.05 55365.03  8067.96 48487.58  5057.32  356.123   28.130  340.078   18.383 16.04449 33.60444 
1 1 1   -5   19   16 o  139.270   9.9642  8008.67  1119.33 12731.70  2912.84  7190.40  1212.43  171.277   21.413  131.560   11.464 39.71704 24.28871 
1 1 1   -5   19   17 o   74.332   12.090  2348.74  704.618  2074.43  2024.08  2386.57  751.632   72.201   26.434   74.742   12.848 -2.540680 29.39136 
1 1 1   -5   19   18 o  173.089   11.444 12520.90  1599.27 10266.51  3744.84 13023.77  1768.66  142.673   32.985  176.089   12.450 -33.41525 35.25681 
1 1 1   -5   19   19 o   22.416   10.933 -1142.4640  647.622 -3195.5320  2491.68 -993.7195  670.672   45.554   22.037   23.920   11.537 21.63346 24.87432 
1 1 1   -5   19   20 o   80.684   17.187  2965.06  1091.47  3602.60  3189.57  2880.51  1161.59   83.762   32.604   78.914   18.457 4.847473 37.46593 
1 1 1   -5   19   21 o   29.995   14.014 -668.9401  845.002 -263.1260  2532.30 -719.7891  896.380   55.119   25.217   30.748   14.388 24.37107 29.03275 
1 1 1   -5   19   22 o   86.032   17.949  3584.95  1213.25   0.0000   0.0000  3584.95  1213.25  ?   ?    86.032   17.949 0.000000 17.94879 
1 1 1   -5   19   23 o   43.099   19.145  270.526  1340.71   0.0000   0.0000  270.526  1340.71  ?   ?    43.099   19.145 0.000000 19.14493 
1 1 1   -5   21    1 o  263.975   22.320 28784.07  4739.25   0.0000   0.0000 28784.07  4739.25  ?   ?   263.975   22.320 0.000000 22.32021 
1 1 1   -5   21    2 o  289.190   16.818 34272.06  3931.98 33095.18  5675.23 35358.48  5452.76  282.569   24.993  292.558   23.143 -9.989502 34.06288 
1 1 1   -5   21    3 o  399.474   17.338 65216.66  5623.87 56837.25  9778.13 69358.67  6874.72  368.379   33.042  410.891   20.672 -42.51138 38.97550 
1 1 1   -5   21    4 o  395.595   30.634 65266.79  9763.31 65266.79  9763.31   0.0000   0.0000  395.595   30.634  ?   ?  0.000000 30.63423 
1 1 1   -5   21    5 f  616.963   31.140 158537.41 15549.16 160093.41 22135.65 157021.70 21846.86  611.808   44.872  605.987   44.716 5.821289 63.34890 
1 1 1   -5   21    6 o  240.036   14.850 23613.55  2880.07 22092.46  4221.80 24937.66  3938.97  230.640   22.844  245.803   19.907 -15.16318 30.30072 
1 1 1   -5   21    7 o  251.980   15.434 26044.59  3142.63 23288.12  4637.93 28384.49  4273.14  236.318   24.528  262.164   20.231 -25.84628 31.79461 
1 1 1   -5   21    8 o   89.236   12.963  3316.39  911.785  2449.67  1509.97  3813.78  1143.87   76.515   22.682   95.415   15.280 -18.89998 27.34899 
1 1 1   -5   21    9 o  189.620   11.162 14709.33  1711.02  7977.92  3436.37 16928.31  1972.98  135.284   31.817  203.352   12.002 -68.06833 34.00567 
1 1 1   -5   21   10 o  585.346   22.157 141697.09 10530.79 149223.00 18702.10 138203.20 12742.93  588.084   39.394  575.375   27.276 12.70941 47.91522 
1 1 1   -5   21   11 o  266.198   12.052 28948.56  2604.94 27005.14  5030.64 29660.56  3044.96  253.475   24.759  268.805   13.999 -15.32976 28.44267 
1 1 1   -5   21   12 o  361.774   16.429 53871.04  4826.00 46507.96  8903.38 56934.43  5742.84  327.461   33.980  370.546   19.153 -43.08536 39.00630 
1 1 1   -5   21   13 o  104.476   8.2148  4478.21  691.249  7763.48  1932.21  3996.03  740.240  135.747   17.972   98.490   9.3693 37.25719 20.26773 
1 1 1   -5   21   14 o  179.438   10.088 13232.78  1463.81 16478.00  3616.27 12596.85  1600.83  195.577   23.226  174.777   11.342 20.80002 25.84741 
1 1 1   -5   21   15 o  186.375   10.884 14350.90  1639.87 15407.83  3906.46 14124.81  1806.77  185.577   26.693  184.512   12.127 1.065277 29.31908 
1 1 1   -5   21   16 f  125.280   10.089  6510.40  1017.62  9584.80  2802.16  6043.34  1092.19  145.633   24.572  120.341   11.310 25.29203 27.04960 
1 1 1   -5   21   17 o   25.350   11.515 -289.8931  516.135 -3520.7930  2723.81 -169.5629  525.658   47.981   23.170   26.991   11.989 20.99088 26.08776 
1 1 1   -5   21   18 o  161.501   11.101 10935.47  1446.88 12468.70  3710.17 10660.47  1571.28  158.369   29.950  158.892   12.274 -0.5226593 32.36731 
1 1 1   -5   21   19 o   81.414   16.691  2989.78  1066.32 11355.40  3592.38  2181.50  1116.65  146.856   31.095   68.609   19.257 78.24646 36.57524 
1 1 1   -5   21   20 o   57.142   17.994  1498.30  931.788  1215.66  3849.93  1515.89  960.340   70.510   31.793   57.463   18.286 13.04725 36.67699 
1 1 1   -5   21   21 o   43.494   19.153  106.426  1313.52   0.0000   0.0000  106.426  1313.52  ?   ?    43.494   19.153 0.000000 19.15268 
1 1 1   -5   21   22 o   48.227   20.612  734.339  1431.47   0.0000   0.0000  734.339  1431.47  ?   ?    48.227   20.612 0.000000 20.61194 
1 1 1   -5   21   23 o   51.442   22.717  1260.62  1860.96   0.0000   0.0000  1260.62  1860.96  ?   ?    51.442   22.717 0.000000 22.71726 
1 1 1   -5   23    1 o  372.611   29.821 57982.00  8946.55   0.0000   0.0000 57982.00  8946.55  ?   ?   372.611   29.821 0.000000 29.82055 
1 1 1   -5   23    2 o  172.728   11.335 12204.53  1580.95 11716.44  2833.54 12425.15  1905.03  167.602   21.303  174.005   13.591 -6.402939 25.26927 
1 1 1   -5   23    3 o  332.080   15.365 45053.34  4143.02 44715.77  7260.36 45216.33  5045.06  327.479   27.561  331.645   18.813 -4.165588 33.36932 
1 1 1   -5   23    4 o  312.173   14.850 39807.27  3764.09 36246.30  6553.02 41560.72  4598.37  294.435   27.737  318.048   17.879 -23.61353 33.00005 
1 1 1   -5   23    5 o  268.207   16.585 29550.98  3594.00 26114.39  5271.10 32536.64  4913.12  249.766   26.391  280.337   21.755 -30.57104 34.20175 
1 1 1   -5   23    6 o  435.348   23.011 78435.96  8105.06 80331.98 11685.72 76678.30 11251.21  436.155   33.248  426.313   32.754 9.841888 46.67155 
1 1 1   -5   23    7 o  513.261   26.638 109808.30 11063.24 110956.10 15905.79 108732.60 15398.13  508.637   38.806  504.111   37.896 4.526764 54.24029 
1 1 1   -5   23    8 o   42.792   15.113  653.590  654.652  1203.47  1307.88  469.764  756.202   58.970   21.301   41.498   15.952 17.47158 26.61166 
1 1 1   -5   23    9 o  158.885   13.224 10392.38  1690.56 10757.73  2645.62 10140.24  2197.79  160.083   20.848  156.086   17.652 3.997208 27.31737 
1 1 1   -5   23   10 o  165.848   8.1880 11201.99  1102.62 15953.99  2641.71 10199.48  1213.36  196.262   16.737  157.884   9.5093 38.37773 19.24990 
1 1 1   -5   23   11 o  143.490   8.7153  8425.40  1010.60 10924.53  2511.91  7942.75  1103.88  161.189   19.595  139.150   9.8335 22.03986 21.92438 
1 1 1   -5   23   12 o  298.903   15.746 37025.68  3808.07 23219.29  7279.32 42227.71  4468.25  222.911   41.752  318.587   17.338 -95.67581 45.20924 
1 1 1   -5   23   13 o   74.862   9.5750  2331.94  568.688  2705.46  2606.57  2313.27  582.726   83.051   30.060   74.499   9.8768 8.551590 31.64079 
1 1 1   -5   23   14 o   22.431   10.363 -353.2267  442.424  6892.69  2578.89 -572.9506  449.082  122.963   26.603   20.556   9.7869 102.4072 28.34589 
1 1 1   -5   23   15 o  172.042   10.808 12278.41  1502.19 11837.79  4082.95 12347.39  1615.50  155.951   33.259  172.242   11.619 -16.29071 35.23001 
1 1 1   -5   23   16 o  112.964   10.607  5333.16  961.518  5067.38  3510.16  5354.73  999.757  100.596   35.032  113.064   11.031 -12.46873 36.72780 
1 1 1   -5   23   17 o  150.424   11.543  9513.99  1399.04  5410.11  4222.34 10020.12  1482.81  100.393   37.906  154.212   11.935 -53.81953 39.74023 
1 1 1   -5   23   18 f  118.851   18.523  6384.15  1729.22  7876.38  3658.03  5954.72  1962.32  117.028   35.444  112.228   22.320 4.800255 41.88630 
1 1 1   -5   23   19 o  149.739   19.139 10357.43  2273.73  6273.78  5063.67 11388.73  2544.69   95.504   39.666  155.610   20.650 -60.10551 44.71934 
1 1 1   -5   23   20 o   35.590   16.183 -360.0361  1022.79  1938.18  4446.53 -488.4251  1050.97   71.779   33.050   35.151   16.142 36.62738 36.78114 
1 1 1   -5   23   21 o   26.246   12.811 -1388.9780  894.279   0.0000   0.0000 -1388.9780  894.279  ?   ?    26.246   12.811 0.000000 12.81080 
1 1 1   -5   23   22 o  102.064   28.786  7420.36  2488.88   0.0000   0.0000  7420.36  2488.88  ?   ?   102.064   28.786 0.000000 28.78602 
1 1 1   -5   25    1 o  149.013   14.724  9163.03  1758.22   0.0000   0.0000  9163.03  1758.22  ?   ?   149.013   14.724 0.000000 14.72414 
1 1 1   -5   25    2 o  507.193   26.652 107095.60 10937.55   0.0000   0.0000 107095.60 10937.55  ?   ?   507.193   26.652 0.000000 26.65227 
1 1 1   -5   25    3 o  390.652   17.696 62600.19  5613.27 54347.86  9879.10 66534.66  6821.38  357.450   34.465  401.376   21.004 -43.92621 40.36079 
1 1 1   -5   25    4 o  123.485   12.618  6288.58  1247.34  8476.55  2220.62  5280.02  1507.67  142.235   19.762  112.239   17.082 29.99636 26.12153 
1 1 1   -5   25    5 o  289.806   14.942 34464.54  3504.10 30972.33  6141.26 36150.31  4266.85  270.920   28.337  296.171   17.826 -25.25092 33.47757 
1 1 1   -5   25    6 o   64.479   17.535  1763.76  942.289  2222.63  1604.47  1522.16  1164.22   73.909   23.648   61.832   20.176 12.07661 31.08574 
1 1 1   -5   25    7 o   95.435   15.568  3829.18  1164.77  1931.27  1873.09  5025.81  1487.31   72.364   25.562  109.279   17.341 -36.91467 30.88947 
1 1 1   -5   25    8 o  211.901   15.027 18512.90  2568.65 20229.75  4062.96 17369.82  3315.25  219.340   23.164  203.925   20.291 15.41490 30.79438 
1 1 1   -5   25    9 o  148.184   14.521  9101.03  1724.70  8233.43  2876.64  9587.92  2154.97  137.620   26.707  151.360   17.880 -13.74089 32.13932 
1 1 1   -5   25   10 o  272.389   10.472 30344.63  2316.16 45166.69  4941.46 26171.41  2622.02  329.262   18.559  252.184   12.848 77.07800 22.57190 
1 1 1   -5   25   11 o  241.028   10.065 23791.87  1969.75 33447.09  4352.54 21305.17  2208.89  282.020   19.121  227.363   12.008 54.65700 22.57827 
1 1 1   -5   25   12 o   43.219   10.721  797.917  374.418  5581.66  2061.12  634.669  380.753  112.106   23.399   38.895   11.351 73.21088 26.00735 
1 1 1   -5   25   13 o   68.806   11.235  2002.72  605.986 -1332.2740  3006.56  2143.94  618.683   60.228   27.525   71.289   11.046 -11.06033 29.65846 
1 1 1   -5   25   14 o   76.068   10.888  2439.55  653.327  446.414  3187.35  2526.97  667.500   69.776   30.295   77.437   10.919 -7.661011 32.20297 
1 1 1   -5   25   15 o  139.563   10.407  8114.48  1170.84  9065.25  3593.58  8001.56  1238.42  133.585   33.259  138.335   11.119 -4.749756 35.06873 
1 1 1   -5   25   16 o   90.141   20.806  3747.77  1491.90  7012.46  3932.21  3198.81  1612.46  111.983   37.106   82.389   23.146 29.59377 43.73373 
1 1 1   -5   25   17 o   54.448   19.345  1228.27  1074.19 -2409.6570  4030.92  1506.37  1114.49   61.804   29.396   58.575   19.760 3.228504 35.41988 
1 1 1   -5   25   18 o  105.780   13.458  4887.44  1129.71  3265.45  4132.52  5018.45  1174.45   81.174   34.866  106.993   13.844 -25.81868 37.51379 
1 1 1   -5   25   19 o   53.410   17.507  1314.28  876.184  1727.67  4990.98  1301.14  890.006   72.766   34.018   53.226   17.654 19.54017 38.32585 
1 1 1   -5   25   20 o   63.308   20.477  2084.44  1200.55   0.0000   0.0000  2084.44  1200.55  ?   ?    63.308   20.477 0.000000 20.47721 
1 1 1   -5   25   21 o   36.946   17.554 -850.1031  1430.05   0.0000   0.0000 -850.1031  1430.05  ?   ?    36.946   17.554 0.000000 17.55388 
1 1 1   -5   27    1 o  358.936   21.053 53397.69  6109.00   0.0000   0.0000 53397.69  6109.00  ?   ?   358.936   21.053 0.000000 21.05327 
1 1 1   -5   27    2 o  566.596   30.219 135490.00 13852.48   0.0000   0.0000 135490.00 13852.48  ?   ?   566.596   30.219 0.000000 30.21947 
1 1 1   -5   27    3 o  237.747   14.412 23229.87  2768.93 23465.63  5204.65 23136.79  3270.11  235.170   27.794  236.678   17.132 -1.508255 32.64997 
1 1 1   -5   27    4 o  264.417   15.160 28763.41  3241.18 28443.50  5894.65 28902.05  3880.44  258.691   28.538  264.295   18.193 -5.603333 33.84408 
1 1 1   -5   27    5 o  160.916   13.931 10686.21  1802.24 10819.96  3256.44 10627.15  2163.84  158.811   26.165  159.852   16.929 -1.040802 31.16408 
1 1 1   -5   27    6 o  117.948   14.884  5800.29  1393.69  5929.96  2544.77  5744.73  1665.70  116.384   27.385  116.641   18.180 -0.2562332 32.87075 
1 1 1   -5   27    7 o   91.853   17.795  3602.94  1279.20  6364.20  2291.48  2352.87  1541.81  121.156   24.141   74.849   23.077 46.30723 33.39691 
1 1 1   -5   27    8 o  237.441   17.383 23494.20  3327.98 19891.07  5250.41 25914.02  4302.74  212.264   31.412  247.740   21.606 -35.47639 38.12539 
1 1 1   -5   27    9 o  148.332   15.602  9214.21  1850.89  9028.24  3224.85  9305.56  2260.24  141.890   28.971  147.916   19.277 -6.025925 34.79845 
1 1 1   -5   27   10 o  179.339   15.364 13472.74  2215.65 13649.33  3716.46 13375.37  2759.72  175.181   26.995  177.042   19.522 -1.860977 33.31437 
1 1 1   -5   27   11 o  124.496   9.8633  6408.23  988.885  4007.78  3627.70  6600.92  1027.81   96.405   35.375  126.308   10.106 -29.90269 36.79034 
1 1 1   -5   27   12 f   72.787   9.9963  2221.58  575.188  3101.34  2722.47  2180.47  588.472   85.081   30.732   72.013   10.363 13.06767 32.43213 
1 1 1   -5   27   13 o   38.863   16.378  131.602  882.492 -4654.0381  3028.74  575.588  922.520   48.464   23.638   44.884   17.517 3.580479 29.42097 
1 1 1   -5   27   14 o   64.415   20.163  1837.40  1171.97  -9.8899  3567.30  2060.91  1240.84   69.227   30.957   67.772   20.669 1.454315 37.22323 
1 1 1   -5   27   15 o  147.045   10.522  9054.66  1248.03 10800.90  4280.16  8892.40  1304.73  138.729   37.224  145.452   11.132 -6.723114 38.85243 
1 1 1   -5   27   16 o  139.695   11.162  8254.44  1255.52 12257.12  5097.31  7995.92  1295.43  137.039   41.912  137.186   11.743 -0.1471252 43.52631 
1 1 1   -5   27   17 o   79.786   13.889  2823.51  867.117 -4488.6548  4956.42  3054.38  880.699   60.756   29.762   83.240   13.492 -22.48383 32.67768 
1 1 1   -5   27   18 o   56.653   17.485  1511.88  884.828 -2655.2371  5372.69  1628.06  897.078   63.451   31.062   58.600   17.509 4.851055 35.65657 
1 1 1   -5   27   19 o   74.726   17.852  2764.49  1068.34   0.0000   0.0000  2764.49  1068.34  ?   ?    74.726   17.852 0.000000 17.85210 
1 1 1   -5   27   20 o   60.873   23.547  2230.06  1655.68   0.0000   0.0000  2230.06  1655.68  ?   ?    60.873   23.547 0.000000 23.54724 
1 1 1   -5   29    1 o  235.308   27.569 23718.41  5167.54   0.0000   0.0000 23718.41  5167.54  ?   ?   235.308   27.569 0.000000 27.56890 
1 1 1   -5   29    2 o  289.097   30.049 36036.96  6950.57   0.0000   0.0000 36036.96  6950.57  ?   ?   289.097   30.049 0.000000 30.04906 
1 1 1   -5   29    3 o  208.169   30.195 18894.37  4954.80   0.0000   0.0000 18894.37  4954.80  ?   ?   208.169   30.195 0.000000 30.19494 
1 1 1   -5   29    4 o  136.005   34.437  8399.12  3806.71   0.0000   0.0000  8399.12  3806.71  ?   ?   136.005   34.437 0.000000 34.43669 
1 1 1   -5   29    5 o  321.957   22.035 43786.47  5725.77   0.0000   0.0000 43786.47  5725.77  ?   ?   321.957   22.035 0.000000 22.03518 
1 1 1   -5   29    6 o  150.001   19.108  9553.28  2274.48   0.0000   0.0000  9553.28  2274.48  ?   ?   150.001   19.108 0.000000 19.10849 
1 1 1   -5   29    7 o  230.387   19.559 22493.04  3624.20   0.0000   0.0000 22493.04  3624.20  ?   ?   230.387   19.559 0.000000 19.55865 
1 1 1   -5   29    8 o  196.739   21.873 16725.51  3434.96   0.0000   0.0000 16725.51  3434.96  ?   ?   196.739   21.873 0.000000 21.87291 
1 1 1   -5   29    9 f   95.820   18.244  4000.93  1367.55  1082.32  2936.91  4808.95  1545.30   72.353   30.143  105.080   18.802 -32.72710 35.52595 
1 1 1   -5   29   10 f  120.584   18.767  6329.24  1777.71  8625.81  3794.81  5683.55  2012.16  131.994   34.882  112.419   22.823 19.57525 41.68495 
1 1 1   -5   29   11 o  311.953   21.050 42585.96  5300.60 45403.75  8626.72 40876.92  6718.43  302.735   35.787  297.365   28.161 5.370605 45.53856 
1 1 1   -5   29   12 o  102.523   10.050  4389.13  825.858  3451.07  3694.01  4438.48  847.305   89.130   34.977  103.042   10.264 -13.91206 36.45138 
1 1 1   -5   29   13 f   96.255   10.056  3884.52  774.332  6733.94  4396.56  3793.30  786.628  109.316   39.105   95.013   10.365 14.30296 40.45477 
1 1 1   -5   29   14 o  120.393   11.242  6124.77  1086.29 -2611.3040  4978.66  6561.45  1113.11   68.308   32.540  124.699   11.110 -56.39101 34.38390 
1 1 1   -5   29   15 o   28.507   12.678 -166.6612  589.556 -870.6894  4490.86 -154.3151  594.703   68.391   32.066   28.780   12.769 39.61137 34.51521 
1 1 1   -5   29   16 o   39.541   14.619  579.099  621.415  2726.67  4931.54  544.450  626.408   78.986   35.765   39.020   14.628 39.96508 38.64075 
1 1 1   -5   29   17 f  134.669   12.531  7954.97  1354.53 10725.18  5790.21  7794.60  1393.18  102.875   42.546  132.858   13.084 -29.98274 44.51256 
1 1 1   -5   29   18 o   73.783   17.142  2674.09  1007.34   0.0000   0.0000  2674.09  1007.34  ?   ?    73.783   17.142 0.000000 17.14163 
1 1 1   -5   29   19 o   65.455   26.245  2959.28  2123.35   0.0000   0.0000  2959.28  2123.35  ?   ?    65.455   26.245 0.000000 26.24525 
1 1 1   -5   31    1 o  197.454   19.234 16525.41  3044.51   0.0000   0.0000 16525.41  3044.51  ?   ?   197.454   19.234 0.000000 19.23367 
1 1 1   -5   31    2 o  101.678   23.079  4576.13  1861.78   0.0000   0.0000  4576.13  1861.78  ?   ?   101.678   23.079 0.000000 23.07905 
1 1 1   -5   31    3 o  224.004   19.984 21357.39  3596.63   0.0000   0.0000 21357.39  3596.63  ?   ?   224.004   19.984 0.000000 19.98417 
1 1 1   -5   31    4 o   44.428   18.201  331.110  1046.74 -9708.8428  3182.31  1549.14  1108.42   40.721   20.538   61.030   19.669 -20.30893 28.43765 
1 1 1   -5   31    5 o  129.664   21.480  7356.79  2182.35  7055.58  4181.24  7469.58  2558.50  120.414   38.139  128.981   25.334 -8.566574 45.78592 
1 1 1   -5   31    6 o   90.742   34.552  3280.31  3526.95  3280.31  3526.95   0.0000   0.0000   90.742   34.552  ?   ?  0.000000 34.55202 
1 1 1   -5   31    7 o  348.597   42.418 62058.72 11759.02 62058.72 11759.02   0.0000   0.0000  348.597   42.418  ?   ?  0.000000 42.41845 
1 1 1   -5   31    8 o  279.777   40.239 39964.24  8878.00 39964.24  8878.00   0.0000   0.0000  279.777   40.239  ?   ?  0.000000 40.23876 
1 1 1   -5   31    9 o   71.565   31.682  127.008  3641.73  127.008  3641.73   0.0000   0.0000   71.565   31.682  ?   ?  0.000000 31.68243 
1 1 1   -5   31   11 o  177.895   14.652 13525.31  2097.51   0.0000   0.0000 13525.31  2097.51  ?   ?   177.895   14.652 0.000000 14.65151 
1 1 1   -5   31   12 o  149.049   13.369  9484.78  1600.70   0.0000   0.0000  9484.78  1600.70  ?   ?   149.049   13.369 0.000000 13.36862 
1 1 1   -5   31   13 o  119.137   12.255  6066.44  1168.60   0.0000   0.0000  6066.44  1168.60  ?   ?   119.137   12.255 0.000000 12.25514 
1 1 1   -5   31   14 o  109.536   13.296  5224.33  1158.33   0.0000   0.0000  5224.33  1158.33  ?   ?   109.536   13.296 0.000000 13.29639 
1 1 1   -5   31   15 o  102.084   11.347  4499.73  924.607   0.0000   0.0000  4499.73  924.607  ?   ?   102.084   11.347 0.000000 11.34673 
1 1 1   -5   31   16 o   77.936   13.747  2759.99  838.121   0.0000   0.0000  2759.99  838.121  ?   ?    77.936   13.747 0.000000 13.74682 
1 1 1   -5   31   17 o   76.052   16.036  2802.85  959.055   0.0000   0.0000  2802.85  959.055  ?   ?    76.052   16.036 0.000000 16.03578 
1 1 1   -5   31   18 o   43.358   19.806  158.461  1554.56   0.0000   0.0000  158.461  1554.56  ?   ?    43.358   19.806 0.000000 19.80617 
1 1 1   -5   33    1 o   80.884   29.427  2690.55  2502.58   0.0000   0.0000  2690.55  2502.58  ?   ?    80.884   29.427 0.000000 29.42664 
1 1 1   -5   33    2 o  115.815   30.532  6389.36  2911.93   0.0000   0.0000  6389.36  2911.93  ?   ?   115.815   30.532 0.000000 30.53182 
1 1 1   -5   33    3 o  104.575   29.819  5187.31  2655.68   0.0000   0.0000  5187.31  2655.68  ?   ?   104.575   29.819 0.000000 29.81941 
1 1 1   -5   33    4 o   43.377   20.044 -1123.1429  1656.64   0.0000   0.0000 -1123.1429  1656.64  ?   ?    43.377   20.044 0.000000 20.04361 
1 1 1   -5   33    5 o  253.284   19.599 27814.19  3999.22 30446.48  8077.94 26959.53  4602.90  238.772   43.259  246.169   23.306 -7.396912 49.13712 
1 1 1   -5   33    6 o  242.457   19.478 25579.33  3802.25 30734.23  7680.13 23905.64  4376.19  241.736   40.565  230.725   23.696 11.01044 46.97910 
1 1 1   -5   33    7 o   62.267   23.350  1451.19  1596.51 -6286.5869  4364.76  2646.32  1715.38   57.354   28.060   76.341   24.455 -18.98713 37.22110 
1 1 1   -5   33    8 o  145.116   21.873  9533.42  2497.27  8044.65  5910.49  9856.96  2755.29  116.229   44.616  146.080   24.068 -29.85067 50.69370 
1 1 1   -5   33    9 o   83.637   26.084  3352.23  1963.33 -4197.9941  5378.22  4513.10  2108.87   68.296   32.873   96.351   26.245 -28.05421 42.06460 
1 1 1   -5   33   10 o   81.388   25.916  3212.00  1928.71  9052.72  5474.25  2384.23  2060.85  117.595   43.407   72.907   26.676 44.68848 50.94884 
1 1 1   -5   33   11 o   83.732   25.756  3494.60  1921.84  3201.72  5703.45  3532.12  2041.21   87.531   39.143   83.834   26.658 3.696762 47.35817 
1 1 1   -5   33   12 o  149.449   11.733  9531.35  1412.32  7302.02  6876.37  9629.53  1443.08   98.522   43.580  150.092   11.940 -51.56967 45.18628 
1 1 1   -5   33   13 o   97.337   10.657  4057.53  828.510 10027.21  6520.96  3959.58  835.279  103.467   44.101   96.026   10.906 7.441170 45.43001 
1 1 1   -5   33   14 o   40.357   13.336  701.910  508.021  4595.31  6501.88  677.995  509.579   80.304   37.940   39.859   13.362 40.44495 40.22378 
1 1 1   -5   33   15 o   48.012   14.767  1075.22  631.739   0.0000   0.0000  1075.22  631.739  ?   ?    48.012   14.767 0.000000 14.76687 
1 1 1   -5   33   16 f   38.743   14.622  610.115  628.092   0.0000   0.0000  610.115  628.092  ?   ?    38.743   14.622 0.000000 14.62181 
1 1 1   -5   35    1 o   62.738   25.471  1096.36  2027.07   0.0000   0.0000  1096.36  2027.07  ?   ?    62.738   25.471 0.000000 25.47100 
1 1 1   -5   35    2 o   75.277   28.046  2359.84  2295.93   0.0000   0.0000  2359.84  2295.93  ?   ?    75.277   28.046 0.000000 28.04633 
1 1 1   -5   35    3 o  230.669   23.973 24251.41  4424.41   0.0000   0.0000 24251.41  4424.41  ?   ?   230.669   23.973 0.000000 23.97280 
1 1 1   -5   35    4 o   55.893   23.942  353.124  1939.05   0.0000   0.0000  353.124  1939.05  ?   ?    55.893   23.942 0.000000 23.94170 
1 1 1   -5   35    5 o   60.283   24.552  1018.55  1890.77  1659.34  4694.45  894.480  2065.73   82.568   36.287   60.954   25.327 21.61444 44.25164 
1 1 1   -5   35    6 o   44.666   20.514 -866.5329  1698.28  471.224  4333.97 -1109.2050  1845.90   75.155   33.825   45.482   21.066 29.67287 39.84829 
1 1 1   -5   35    7 o  134.572   24.450  8616.53  2573.16  6312.13  6909.94  8987.53  2772.57  103.003   44.664  136.216   26.017 -33.21335 51.68879 
1 1 1   -5   35    8 o   37.290   17.288 -832.7587  1247.51 -11366.6396  5657.02 -294.2966  1279.00   56.300   28.261   41.476   18.543 14.82428 33.80136 
1 1 1   -5   35    9 o  128.735   26.584  8346.25  2686.72 11617.04  7421.31  7852.91  2882.23  115.706   48.036  121.925   29.446 -6.218040 56.34239 
1 1 1   -5   35   10 o   84.360   26.278  3711.38  1993.40  3001.34  7360.43  3767.58  2070.79   85.578   40.412   84.646   26.843 0.9325867 48.51439 
1 1 1   -5   35   11 o   24.479   10.138   84.375  329.413 -7041.9629  7204.99   99.302  329.758   65.510   32.739   24.775   10.190 40.73524 34.28817 
1 1 1   -5   35   12 o   73.314   10.510  2333.00  607.744  7451.04  7844.83  2302.09  609.576   85.986   40.929   72.767   10.631 13.21865 42.28721 
1 1 1   -5   35   13 o   30.479   12.474  206.478  491.017  4746.04  8079.70  189.650  491.927   75.133   37.040   30.230   12.441 44.90309 39.07348 
1 1 1   -5   35   14 o   73.569   12.220  2462.82  704.376   0.0000   0.0000  2462.82  704.376  ?   ?    73.569   12.220 0.000000 12.22031 
1 1 1   -5   35   15 f   37.726   18.391 -1670.1130  1826.36   0.0000   0.0000 -1670.1130  1826.36  ?   ?    37.726   18.391 0.000000 18.39073 
1 1 1   -5   37    1 o  184.146   29.346 17004.47  4240.49   0.0000   0.0000 17004.47  4240.49  ?   ?   184.146   29.346 0.000000 29.34556 
1 1 1   -5   37    2 o  153.640   29.652 11995.86  3565.07   0.0000   0.0000 11995.86  3565.07  ?   ?   153.640   29.652 0.000000 29.65158 
1 1 1   -5   37    3 o   72.610   29.252  2110.31  2651.44   0.0000   0.0000  2110.31  2651.44  ?   ?    72.610   29.252 0.000000 29.25235 
1 1 1   -5   37    4 o   68.824   28.301  1705.40  2542.61   0.0000   0.0000  1705.40  2542.61  ?   ?    68.824   28.301 0.000000 28.30054 
1 1 1   -5   37    5 o   82.350   29.485  3483.71  2500.05   0.0000   0.0000  3483.71  2500.05  ?   ?    82.350   29.485 0.000000 29.48483 
1 1 1   -5   37    6 o  272.868   26.011 36987.65  5693.19 60177.33 13256.73 31743.53  6304.13  244.133   65.512  239.797   33.274 4.335678 73.47754 
1 1 1   -5   37    7 o  255.590   26.179 33042.31  5356.23 38229.57 12444.40 31862.84  5934.01  157.994   63.471  242.193   30.878 -84.19821 70.58339 
1 1 1   -5   37    8 o  209.922   26.317 22800.89  4387.10 27959.25 11351.78 21895.18  4756.67  128.880   56.539  199.032   30.398 -70.15158 64.19223 
1 1 1   -5   37    9 o  122.343   30.017  8687.91  2959.40 14418.47  9658.52  8094.16  3108.93   98.906   46.579  114.634   32.117 -15.72817 56.57817 
1 1 1   -5   37   10 o   91.700   31.322  5546.84  2800.66  4635.14  9845.45  5627.11  2921.35   78.374   39.025   91.353   31.951 -12.97895 50.43634 
1 1 1   -5   37   11 o   53.741   24.096  661.522  2176.69  3743.71 10092.05  511.145  2229.16   72.605   36.614   53.259   24.087 19.34663 43.82672 
1 1 1   -5   37   12 o   30.668   11.434  347.746  381.761   0.0000   0.0000  347.746  381.761  ?   ?    30.668   11.434 0.000000 11.43444 
1 1 1   -5   37   13 o   53.470   24.279  1234.61  2291.69   0.0000   0.0000  1234.61  2291.69  ?   ?    53.470   24.279 0.000000 24.27856 
1 1 1   -5   39    1 o   91.725   34.828  5321.92  3577.13   0.0000   0.0000  5321.92  3577.13  ?   ?    91.725   34.828 0.000000 34.82786 
1 1 1   -5   39    2 o   67.870   29.873  1451.47  3192.45   0.0000   0.0000  1451.47  3192.45  ?   ?    67.870   29.873 0.000000 29.87333 
1 1 1   -5   39    3 o   81.364   32.151  3842.34  3141.67   0.0000   0.0000  3842.34  3141.67  ?   ?    81.364   32.151 0.000000 32.15145 
1 1 1   -5   39    4 o   56.946   25.567  336.747  2459.27   0.0000   0.0000  336.747  2459.27  ?   ?    56.946   25.567 0.000000 25.56747 
1 1 1   -5   39    5 o   86.187   32.630  4801.51  3134.23   0.0000   0.0000  4801.51  3134.23  ?   ?    86.187   32.630 0.000000 32.63027 
1 1 1   -5   39    6 o   75.189   30.457  3377.22  2891.30   0.0000   0.0000  3377.22  2891.30  ?   ?    75.189   30.457 0.000000 30.45703 
1 1 1   -5   39    7 o   65.527   28.529  2047.43  2842.20 -5519.8032 11501.42  2539.59  2933.17   69.772   35.580   68.468   29.390 1.304230 46.14880 
1 1 1   -5   39    8 o   82.639   32.672  5270.45  3245.68 11231.58 12052.97  4804.38  3370.17   77.913   39.378   79.031   32.550 -1.117752 51.08920 
1 1 1   -5   39    9 o   55.153   25.290  788.287  2567.21 -20356.8301 11766.62  1845.13  2630.58   58.029   29.935   60.607   26.875 -2.578011 40.22846 
1 1 1   -5   39   10 o   49.800   23.706 -223.0874  2632.33   0.0000   0.0000 -223.0874  2632.33  ?   ?    49.800   23.706 0.000000 23.70603 
1 1 1   -5   41    1 o   79.266   34.169  5159.51  3996.41   0.0000   0.0000  5159.51  3996.41  ?   ?    79.266   34.169 0.000000 34.16895 
1 1 1   -5   41    2 o   64.833   30.241  1716.46  3909.14   0.0000   0.0000  1716.46  3909.14  ?   ?    64.833   30.241 0.000000 30.24083 
1 1 1   -5   41    3 o  100.267   39.926 10914.22  4879.27   0.0000   0.0000 10914.22  4879.27  ?   ?   100.267   39.926 0.000000 39.92615 
1 1 1   -5   41    4 o   83.056   35.754  7010.75  4363.75   0.0000   0.0000  7010.75  4363.75  ?   ?    83.056   35.754 0.000000 35.75402 
1 1 1   -5   41    5 o   64.359   29.810  2505.56  3696.50   0.0000   0.0000  2505.56  3696.50  ?   ?    64.359   29.810 0.000000 29.80977 
1 1 1   -5   41    6 o   58.588   27.799  1289.85  3562.92   0.0000   0.0000  1289.85  3562.92  ?   ?    58.588   27.799 0.000000 27.79910 
1 1 1   -4    0    3 o  206.980   11.276 17568.78  1882.22 18276.27  2659.03 16858.27  2664.71  210.159   15.787  201.499   16.543 -0.000000 0.000000 
1 1 1   -4    0    4 o  430.247   21.284 76003.81  7394.12 71254.38 10459.17 80749.07 10454.56  413.590   31.568  441.387   29.472 0.000000 0.000000 
1 1 1   -4    0    5 o  185.595   10.414 14126.57  1558.01 14366.51  2201.79 13885.93  2204.94  186.237   14.774  182.958   15.078 -0.000000 0.000000 
1 1 1   -4    0    6 o  203.781   11.165 17020.90  1834.80 17292.60  2594.65 16749.14  2594.94  204.436   15.850  201.069   16.133 -0.000000 0.000000 
1 1 1   -4    0    7 o  306.903   15.636 38572.28  3873.44 40522.16  5477.61 36622.02  5478.14  313.402   21.766  297.408   23.002 -0.000000 0.000000 
1 1 1   -4    0    8 o  1148.33   55.431 544396.88 51409.69 609856.31 72706.40 478945.19 72702.15  1208.02   74.781  1063.87   85.430 0.000000 0.000000 
1 1 1   -4    0    9 o  151.328   9.4168  9407.08  1146.80  8136.62  1602.44 10740.95  1641.94  139.299   14.529  161.125   12.733 -0.000000 0.000000 
1 1 1   -4    0   10 o  287.596   14.851 33871.45  3446.88 28877.79  4865.57 38902.47  4883.74  263.471   23.155  307.472   19.749 -0.000000 0.000000 
1 1 1   -4    0   11 o   74.275   8.6975  2331.08  505.728  3607.24  754.879  1291.88  681.199   92.533   10.383   48.430   18.419 0.000000 0.000000 
1 1 1   -4    0   12 o  851.943   60.295 306834.09 41228.98 306834.09 41228.98   0.0000   0.0000  851.943   60.295  851.943   60.295 0.000000 0.000000 
1 1 1   -4    0   13 o  437.625   21.749 78691.04  7684.66 76229.17 10848.37 81170.59 10887.24  427.775   31.630  441.956   30.678 -0.000000 0.000000 
1 1 1   -4    0   14 o  303.834   15.782 37887.40  3869.37 36710.86  5451.49 39081.92  5492.98  297.220   22.902  307.004   22.306 -0.000000 0.000000 
1 1 1   -4    0   15 o  506.698   25.046 105873.80 10247.27 102732.60 14458.34 109044.20 14525.54  494.751   36.446  510.389   35.443 -0.000000 0.000000 
1 1 1   -4    0   16 o   56.349   14.219  1513.89  562.615  2404.69  938.366  1013.94  702.985   70.246   19.034   41.293   19.053 0.000000 0.000000 
1 1 1   -4    0   17 o  147.286   10.605  8962.09  1253.20  8332.68  1699.52  9712.16  1855.29  140.502   15.364  152.047   15.389 -0.000000 0.000000 
1 1 1   -4    0   18 o  194.467   11.793 15574.37  1846.44 13809.82  2511.25 17650.94  2724.26  181.313   17.428  205.865   16.544 -0.000000 0.000000 
1 1 1   -4    0   19 o  216.727   13.006 19392.16  2269.78 17740.19  3044.64 21458.94  3405.51  205.291   18.617  226.156   18.846 -0.000000 0.000000 
1 1 1   -4    0   20 o  115.269   11.443  5589.27  1046.82  4819.82  1255.18  7347.26  1897.25  104.971   15.778  129.270   19.354 -0.000000 0.000000 
1 1 1   -4    0   21 o  102.510   13.195  4523.02  1048.26  4058.54  1196.39  6058.13  2175.00   94.858   17.214  110.872   27.936 -0.000000 0.000000 
1 1 1   -4    0   22 o  345.594   18.140 50355.17  5058.29 58680.91  7432.75 43172.79  6903.55  367.210   25.201  311.960   27.760 0.000000 0.000000 
1 1 1   -4    0   23 o  226.810   14.391 21641.11  2625.73 23907.59  4168.74 20150.62  3380.60  232.905   22.528  215.447   19.704 0.000000 0.000000 
1 1 1   -4    0   24 o  227.082   14.820 21902.42  2705.89 20995.74  4250.01 22520.50  3508.99  213.400   25.488  226.825   19.378 0.000000 0.000000 
1 1 1   -4    0   25 o   60.884   21.977  2124.99  995.916   0.0000   0.0000  2124.99  995.916   60.884   21.977   60.884   21.977 0.000000 0.000000 
1 1 1   -4    0   26 o   25.784   17.160 -130.2345  966.785 -130.2345  966.785   0.0000   0.0000   25.784   17.160   25.784   17.160 -0.000000 0.000000 
1 1 1   -4    2    2 o  363.049   12.741 53687.21  3755.77 54435.98  5310.98 52938.18  5311.96  364.985   17.921  359.431   18.261 5.554077 25.58580 
1 1 1   -4    2    3 o  549.368   18.725 123373.50  8352.43 118617.00 11807.17 128137.90 11817.09  535.973   27.220  558.081   26.078 -22.10712 37.69626 
1 1 1   -4    2    4 o  911.904   44.875 349434.41 33226.79 378793.41 46979.36 320049.41 47000.20  933.204   62.359  851.656   68.547 81.54822 92.66818 
1 1 1   -4    2    5 o  1011.87   49.576 429722.81 40731.53 447934.69 57592.66 411497.59 57613.50  1014.50   70.351  968.971   73.782 45.52997 101.9461 
1 1 1   -4    2    6 o  920.545   31.142 347311.19 23277.22 346376.00 32916.24 348246.69 32921.69  914.890   44.310  917.401   44.196 -2.511902 62.58345 
1 1 1   -4    2    7 o  467.531   16.047 88919.23  6091.75 90623.95  8611.10 87211.41  8618.98  471.538   22.491  462.537   22.949 9.000549 32.13266 
1 1 1   -4    2    8 o  1469.65   57.603 896294.31 68738.33 835858.12 119046.10 926521.62 84191.23  1379.80  107.097  1486.74   69.742 -106.9393 127.8034 
1 1 1   -4    2    9 o  1120.39   37.643 514095.50 34244.63 497636.41 48423.38 530562.62 48435.06  1097.13   54.357  1133.48   52.627 -36.35400 75.65910 
1 1 1   -4    2   10 o  599.279   20.313 146224.91  9884.16 153417.20 13973.39 139022.41 13983.25  613.037   28.072  582.643   29.655 30.39362 40.83497 
1 1 1   -4    2   11 o  173.069   7.1903 12166.80  1010.43 12696.38  1426.12 11632.98  1431.81  176.470   9.9939  168.855   10.495 7.615616 14.49231 
1 1 1   -4    2   12 o  488.410   23.947 97746.63  9496.61 103326.20 13429.71 92166.22 13430.76  498.951   33.341  470.447   35.420 28.50400 48.64363 
1 1 1   -4    2   13 o  123.852   6.3958  6249.66  640.990  5972.84  894.721  6541.54  918.752  120.834   9.1881  126.506   9.0031 -5.671967 12.86375 
1 1 1   -4    2   14 o  337.389   12.083 46384.72  3310.03 46792.11  4675.88 45975.52  4686.31  337.820   17.102  334.814   17.297 3.005951 24.32455 
1 1 1   -4    2   15 o  211.820   8.5127 18255.21  1464.11 18926.39  2069.36 17582.46  2071.77  215.132   11.893  207.266   12.367 7.865768 17.15742 
1 1 1   -4    2   16 o   51.728   8.7458  1119.27  354.242  520.873  502.955  1708.32  499.017   37.930   13.258   64.008   9.9227 -26.07889 16.55989 
1 1 1   -4    2   17 o  246.680   9.5410 24803.51  1911.03 24984.67  2696.85 24620.79  2708.39  246.724   13.513  244.883   13.676 1.841293 19.22592 
1 1 1   -4    2   18 o  264.472   10.149 28564.83  2179.39 28846.73  3077.26 28281.14  3087.00  264.616   14.376  261.949   14.571 2.666718 20.46950 
1 1 1   -4    2   19 o   88.745   8.6138  3247.70  612.876  3025.31  856.753  3480.76  877.080   84.805   12.844   91.242   12.140 -6.436638 17.67361 
1 1 1   -4    2   20 f  108.106   8.5167  4818.10  741.528  4311.96  1032.45  5357.36  1065.70  101.225   12.851  113.288   11.757 -12.06298 17.41752 
1 1 1   -4    2   21 o  242.766   9.6792 24314.60  1907.94 22773.99  2687.16 25880.86  2709.44  232.370   14.312  248.273   13.491 -15.90326 19.66809 
1 1 1   -4    2   22 o  163.320   8.7681 11045.61  1158.50 11093.81  1647.94 10998.52  1628.95  161.996   12.628  161.342   12.533 0.6538696 17.79162 
1 1 1   -4    2   23 o   32.186   12.974  228.274  521.941 -662.8091  708.197  1287.77  772.225   27.080   12.709   53.810   16.282 -26.73047 20.65491 
1 1 1   -4    2   24 o   34.680   13.383  379.231  533.839  376.741  723.959  382.199  790.322   37.951   15.287   39.109   15.894 -1.158020 22.05258 
1 1 1   -4    2   25 o   56.528   14.210  1487.84  651.517  1032.84  868.364  2073.84  985.476   48.226   17.365   64.818   18.055 -16.59227 25.05052 
1 1 1   -4    2   26 o   46.365   16.017  1038.44  733.035  1120.65  969.002  928.447  1120.83   48.189   18.168   46.608   18.934 1.580994 26.24009 
1 1 1   -4    4    3 o  752.254   53.828 242849.41 32661.23 242849.41 32661.23   0.0000   0.0000  752.254   53.828  ?   ?  0.000000 53.82810 
1 1 1   -4    4    5 o  592.753   20.156 143324.09  9701.04 140766.00 13714.40 145885.91 13724.30  585.990   28.824  596.649   28.329 -10.65936 40.41459 
1 1 1   -4    4    6 o  732.913   24.719 219253.00 14710.22 222226.80 20798.58 216276.41 20808.22  735.933   34.806  725.903   35.304 10.02985 49.57634 
1 1 1   -4    4    7 o  775.826   26.187 245587.41 16496.21 236705.20 23325.56 254475.20 23332.77  759.615   37.818  787.897   36.472 -28.28192 52.53963 
1 1 1   -4    4    8 f  537.578   25.947 117830.70 11325.93 118030.20 16009.96 117630.90 16024.63  535.597   37.042  534.666   37.142 0.9313354 52.45605 
1 1 1   -4    4    9 o  1452.37   48.962 869202.88 57739.43 862452.12 81652.23 875954.81 81659.52  1435.68   70.044  1447.21   69.492 -11.53284 98.66817 
1 1 1   -4    4   10 o  512.500   17.404 106875.20  7242.58 109175.90 10239.33 104571.60 10245.79  517.427   24.372  506.348   24.921 11.07916 34.85700 
1 1 1   -4    4   11 o  333.445   11.771 45210.48  3187.03 46326.56  4501.39 44088.68  4512.90  337.283   16.437  328.569   16.974 8.714996 23.62778 
1 1 1   -4    4   12 o  483.721   23.764 95936.30  9333.74 97906.40 13201.82 93967.35 13197.97  485.159   33.722  475.005   34.454 10.15411 48.21049 
1 1 1   -4    4   13 o  156.390   6.9347  9940.19  880.597 10331.12  1245.28  9549.16  1245.43  159.062   9.6880  152.861   10.091 6.200836 13.98881 
1 1 1   -4    4   14 o  362.208   12.864 53491.96  3783.41 53325.80  5343.09 53659.05  5358.03  360.399   18.319  361.527   18.312 -1.128174 25.90233 
1 1 1   -4    4   15 o  268.106   9.9737 29272.07  2171.21 29084.32  3064.17 29461.40  3076.98  266.452   14.214  268.184   14.181 -1.732208 20.07841 
1 1 1   -4    4   16 o  437.607   15.338 78426.37  5450.08 79465.36  7701.11 77383.86  7714.07  438.620   21.624  432.159   22.057 6.461243 30.88844 
1 1 1   -4    4   17 o  445.685   15.825 81556.45  5726.89 85035.68  8095.58 78071.25  8102.51  452.724   22.023  432.736   23.144 19.98746 31.94759 
1 1 1   -4    4   18 f  106.681   7.1752  4655.49  617.913  4054.80  858.083  5302.49  890.542   99.008   10.852  113.548   9.7537 -14.54009 14.59085 
1 1 1   -4    4   19 o  195.080   8.6570 15556.27  1371.26 15926.99  1951.12 15194.43  1927.61  196.341   12.301  191.715   12.450 4.626633 17.50203 
1 1 1   -4    4   20 o  128.732   8.1564  6814.69  848.153  6508.50  1158.68  7168.13  1244.89  124.995   11.547  131.148   11.817 -6.152695 16.52225 
1 1 1   -4    4   21 o  203.791   8.9930 17103.47  1488.08 16443.35  2087.03 17786.13  2122.34  197.877   13.063  205.987   12.752 -8.110214 18.25529 
1 1 1   -4    4   22 o  148.699   8.7535  9164.85  1052.23  8850.66  1410.97  9558.53  1579.39  144.773   12.114  150.008   13.098 -5.234985 17.84167 
1 1 1   -4    4   23 f  112.825   9.1932  5330.42  834.866  5787.50  1128.82  4778.50  1240.41  116.324   12.130  104.147   15.109 12.17702 19.37587 
1 1 1   -4    4   24 o   37.598   14.120  501.922  584.184  666.254  803.815  317.955  850.482   43.118   16.477   39.240   16.274 3.877388 23.15833 
1 1 1   -4    4   25 o   51.325   14.231  1228.77  613.734  861.061  771.165  1864.04  1013.61   44.848   16.332   61.089   18.691 -16.24089 24.82123 
1 1 1   -4    4   26 o   26.248   11.798 -129.8749  525.211 -450.2761  643.452  509.722  909.122   26.065   12.194   40.068   16.738 -14.00388 20.70917 
1 1 1   -4    6    3 o  376.256   18.727 57775.60  5721.38 57788.61  8112.59 57762.74  8070.08  374.337   26.869  374.283   26.730 0.5322266E-01 37.90087 
1 1 1   -4    6    4 o  313.596   12.604 40001.28  3209.26 42760.89  5614.13 38661.82  3911.33  322.939   21.534  307.741   15.705 15.19727 26.65269 
1 1 1   -4    6    5 o  1049.37   49.163 457198.41 41889.28 526451.81 59289.10 388172.31 59191.78  1114.62   65.802  948.823   77.508 165.7968 101.6731 
1 1 1   -4    6    6 o  699.523   23.324 199496.09 13247.73 202321.00 18734.17 196670.59 18736.06  703.017   32.819  693.047   33.295 9.970032 46.75107 
1 1 1   -4    6    7 o  233.263   8.8695 22101.90  1679.90 22805.38  2372.42 21394.48  2379.05  236.563   12.394  229.074   12.842 7.489197 17.84781 
1 1 1   -4    6    8 o  996.570   47.310 408771.41 38282.07 377560.19 54109.77 440050.31 54168.34  947.394   70.854  1025.75   65.378 -78.35986 96.40822 
1 1 1   -4    6    9 o  400.767   13.391 65283.46  4357.44 66280.57  6159.10 64284.23  6165.61  403.587   18.795  397.447   19.105 6.139709 26.80057 
1 1 1   -4    6   10 o  880.379   29.444 316986.09 21047.98 322839.41 29761.16 311128.81 29771.52  885.307   41.402  868.859   42.200 16.44824 59.11805 
1 1 1   -4    6   11 o  519.082   17.307 109830.30  7294.46 102452.60 10309.43 117226.50 10322.45  499.542   25.502  535.331   23.748 -35.78915 34.84686 
1 1 1   -4    6   12 o  770.215   30.490 245198.20 19068.02 247447.59 33057.70 244076.70 23342.54  757.843   54.077  764.930   37.583 -7.087830 65.85455 
1 1 1   -4    6   13 o  348.083   12.131 49358.09  3428.64 47785.07  4841.54 50940.61  4856.15  341.421   17.524  353.047   16.940 -11.62704 24.37309 
1 1 1   -4    6   14 f  213.682   8.4678 18573.35  1469.18 18179.43  2066.73 18975.77  2088.92  210.844   12.123  215.444   11.989 -4.599869 17.04990 
1 1 1   -4    6   15 o  159.203   7.4223 10308.22  959.466 11097.90  1334.66  9463.64  1380.27  164.766   10.024  151.953   11.267 12.81319 15.08078 
1 1 1   -4    6   16 o  117.596   6.6919  5642.24  636.330  5203.92  887.445  6106.08  912.907  112.584   9.8058  122.085   9.2787 -9.500877 13.49996 
1 1 1   -4    6   17 o  169.690   7.6772 11722.99  1057.79 11472.17  1478.08 11986.30  1514.47  167.272   10.943  170.991   10.966 -3.718994 15.49192 
1 1 1   -4    6   18 o  185.393   8.2361 14015.41  1239.80 14529.37  1736.94 13481.56  1770.22  188.043   11.430  180.973   12.117 7.069977 16.65740 
1 1 1   -4    6   19 o  206.701   8.7175 17477.49  1463.10 16209.57  2067.10 18750.43  2071.18  197.765   12.944  213.049   12.022 -15.28395 17.66585 
1 1 1   -4    6   20 o  130.509   8.0151  7003.89  845.245  6626.98  1126.18  7490.07  1279.07  126.195   11.104  133.991   11.880 -7.795403 16.26116 
1 1 1   -4    6   21 o   92.584   8.6212  3557.37  640.649  3833.74  793.651  3040.49  1085.38   95.692   10.381   83.113   16.663 12.57883 19.63247 
1 1 1   -4    6   22 o   77.908   10.380  2568.44  640.265  2855.18  837.845  2165.95  992.657   81.290   13.142   69.220   17.617 12.06955 21.97903 
1 1 1   -4    6   23 o   23.998   10.883 -235.7254  458.719 -139.6937  511.815 -627.8616  1034.24   26.707   11.848   34.487   15.901 -7.779938 19.82986 
1 1 1   -4    6   24 o   40.026   13.105  684.153  491.042  791.321  579.380  410.878  925.189   42.894   14.245   41.353   17.046 1.540161 22.21429 
1 1 1   -4    6   25 o   22.579   10.433 -302.7639  448.811 -259.7845  509.874 -450.6508  945.797   24.808   11.336   32.913   15.186 -8.104925 18.95075 
1 1 1   -4    6   26 o   32.857   13.011  366.758  515.471 -124.5397  595.045  1844.03  1031.83   27.865   12.538   57.849   19.000 -29.98396 22.76415 
1 1 1   -4    8    1 o  562.520   27.498 129743.50 12559.61 125217.50 17762.44 134269.00 17761.51  548.192   40.185  568.265   38.725 -20.07281 55.80742 
1 1 1   -4    8    2 o  857.479   60.944 313159.50 42155.36 313159.50 42155.36   0.0000   0.0000  857.479   60.944  ?   ?  0.000000 60.94366 
1 1 1   -4    8    3 o  849.062   41.069 297850.69 28313.42 301889.19 40063.79 293821.31 40018.69  845.355   58.733  833.498   59.523 11.85730 83.62130 
1 1 1   -4    8    4 o  851.123   40.955 298443.09 28303.15 306202.41 40058.42 290708.31 39995.07  854.051   58.111  831.341   59.647 22.71063 83.27457 
1 1 1   -4    8    5 o  946.304   36.130 367188.19 27761.03 393045.81 48162.14 354322.59 33972.49  968.191   61.584  927.010   45.134 41.18127 76.35247 
1 1 1   -4    8    6 o  405.835   16.395 66989.09  5402.42 64276.38  9424.25 68316.84  6593.28  395.635   29.550  409.664   19.821 -14.02841 35.58233 
1 1 1   -4    8    7 o  735.364   50.851 224079.50 30176.13   0.0000   0.0000 224079.50 30176.13  ?   ?   735.364   50.851 0.000000 50.85085 
1 1 1   -4    8    8 o  623.817   19.759 158373.80 10008.51 162578.59 14151.94 154166.30 14156.39  631.310   27.608  614.680   28.364 16.63086 39.58168 
1 1 1   -4    8    9 o  732.079   23.848 218501.00 14175.59 219956.80 20044.23 217044.30 20050.41  732.983   33.679  728.071   33.917 4.911865 47.79743 
1 1 1   -4    8   10 o  921.797   30.710 348487.41 22985.55 351681.09 32504.75 345293.09 32508.21  921.364   43.449  912.783   43.862 8.580688 61.73863 
1 1 1   -4    8   11 o  213.488   9.4367 18530.52  1635.81 18743.55  1996.89 18095.94  2852.13  214.328   11.517  209.967   16.872 4.360550 20.42778 
1 1 1   -4    8   12 o  489.661   17.299 97966.56  6877.84 99096.16  9722.21 96834.87  9731.26  490.933   24.390  484.585   24.815 6.348053 34.79444 
1 1 1   -4    8   13 o  149.752   6.5389  9114.01  795.085  8276.28  1105.07 10013.08  1144.82  142.293   9.6212  156.629   9.0401 -14.33652 13.20196 
1 1 1   -4    8   14 o  469.815   16.190 90290.39  6176.10 90003.59  8729.03 90577.91  8739.63  467.280   23.007  468.782   22.961 -1.502594 32.50369 
1 1 1   -4    8   15 o  178.194   7.6442 12917.18  1106.02 12870.16  1549.47 12966.02  1579.24  177.366   10.811  178.006   10.980 -0.6403503 15.40875 
1 1 1   -4    8   16 o  423.232   14.572 73360.51  5007.80 70817.02  7074.99 75914.22  7089.22  413.333   21.152  428.760   20.363 -15.42691 29.36071 
1 1 1   -4    8   17 o  168.754   7.7971 11597.96  1068.39 10591.39  1481.39 12689.01  1542.31  160.578   11.436  175.928   10.850 -15.34926 15.76424 
1 1 1   -4    8   18 o  142.887   7.6551  8347.99  884.911  9838.51  1240.63  6804.31  1262.56  154.803   9.9225  128.185   12.281 26.61720 15.78834 
1 1 1   -4    8   19 o   78.991   7.9355  2576.10  502.087  2446.53  642.283  2779.70  805.109   76.442   10.636   81.116   12.635 -4.673409 16.51612 
1 1 1   -4    8   20 o  234.966   9.5226 22725.89  1816.77 23031.98  2570.80 22420.49  2567.81  234.539   13.557  231.303   13.734 3.235977 19.29815 
1 1 1   -4    8   21 o  231.799   9.4390 22199.99  1776.54 20170.01  2491.71 24298.84  2533.63  218.197   14.140  240.305   13.034 -22.10732 19.23076 
1 1 1   -4    8   22 o   54.406   11.351  1283.85  485.197  1780.80  578.046   98.794  892.637   64.277   11.498   38.277   16.316 25.99967 19.96019 
1 1 1   -4    8   23 o  146.861   9.9408  9080.42  1178.42 11228.96  1566.70  6281.21  1788.28  162.106   11.988  116.129   19.667 45.97745 23.03270 
1 1 1   -4    8   24 o  112.844   9.5077  5411.16  863.029  5482.79  1128.70  5310.34  1339.11  111.722   12.666  107.795   15.766 3.927200 20.22349 
1 1 1   -4    8   25 o   49.098   13.610  1129.30  561.418  586.241  626.941  3327.54  1261.37   38.700   14.608   80.143   19.556 -41.44363 24.40974 
1 1 1   -4    8   26 f   46.036   14.370  1048.20  595.758  1048.20  595.758   0.0000   0.0000   46.036   14.370  ?   ?  0.000000 14.37027 
1 1 1   -4   10    1 o  328.373   13.816 43849.62  3683.63 44671.78  6366.71 43435.91  4516.31  330.038   23.920  326.231   17.109 3.806732 29.40960 
1 1 1   -4   10    2 o  872.899   42.169 313909.81 29887.94 315573.59 42289.05 312249.41 42246.83  866.665   60.474  861.935   60.753 4.729248 85.72087 
1 1 1   -4   10    3 o  674.587   32.696 186288.00 17908.81 180776.80 25345.29 191783.30 25308.51  659.866   47.625  680.217   46.095 -20.35034 66.27844 
1 1 1   -4   10    4 o   74.842   7.7241  2299.24  462.638  2075.81  672.318  2500.19  637.599   70.463   12.192   77.761   10.356 -7.298279 15.99672 
1 1 1   -4   10    5 o  648.856   31.319 172028.59 16500.41 173264.30 23378.82 170802.20 23291.62  647.544   44.739  642.863   44.903 4.681213 63.38685 
1 1 1   -4   10    7 o  1443.86   56.683 863246.50 66453.43 913364.12 115197.30 838250.69 81354.41  1454.36   98.125  1413.28   71.122 41.07739 121.1896 
1 1 1   -4   10    8 o  133.450   7.0749  7253.00  763.877 11252.67  1459.39  5743.69  896.494  166.059   10.884  118.536   9.3914 47.52341 14.37547 
1 1 1   -4   10    9 o  376.874   15.174 57791.92  4643.34 65261.32  8135.76 54183.48  5654.77  398.922   25.247  364.175   19.191 34.74658 31.71338 
1 1 1   -4   10   10 o  218.319   9.5911 19376.24  1700.19 25214.21  3047.67 16738.48  2048.59  248.337   15.187  202.436   12.525 45.90182 19.68555 
1 1 1   -4   10   11 o  548.004   21.923 123080.60  9755.06 119287.80 16987.28 124946.80 11915.66  532.532   39.569  550.908   26.638 -18.37585 47.69991 
1 1 1   -4   10   12 o  333.960   12.144 45433.32  3292.96 44072.10  4653.62 46798.43  4660.28  327.856   17.545  337.964   17.037 -10.10818 24.45586 
1 1 1   -4   10   13 o  309.060   11.423 38913.68  2866.54 39344.75  4051.23 38481.48  4056.58  309.816   16.160  306.352   16.367 3.464050 23.00099 
1 1 1   -4   10   14 o  257.233   9.6355 26941.70  2012.51 25307.63  2836.79 28597.45  2855.54  248.503   14.117  264.336   13.348 -15.83241 19.42822 
1 1 1   -4   10   15 o  335.242   11.757 45862.68  3200.31 42826.80  4517.66 48920.89  4534.24  322.543   17.313  345.451   16.165 -22.90802 23.68670 
1 1 1   -4   10   16 o   87.668   6.7747  3145.28  478.503  2872.18  645.469  3478.48  712.965   83.377   9.7166   91.864   9.7053 -8.487358 13.73335 
1 1 1   -4   10   17 o  465.286   16.701 89323.56  6309.71 89274.36  8919.11 89372.84  8927.46  460.734   23.924  460.982   23.933 -0.2484131 33.84006 
1 1 1   -4   10   18 o  200.646   8.4126 16444.91  1370.56 16817.30  1914.01 16053.01  1963.47  201.999   11.720  197.183   12.325 4.815765 17.00805 
1 1 1   -4   10   19 o   45.523   9.9583  884.408  357.852  942.150  419.876  731.120  684.115   46.881   11.186   44.125   15.460 2.755985 19.08260 
1 1 1   -4   10   20 o   80.335   8.4643  2679.76  543.813  2305.48  659.345  3476.04  961.724   73.759   11.375   90.251   13.542 -16.49162 17.68530 
1 1 1   -4   10   21 o  191.186   8.8055 15087.14  1366.94 13529.50  1891.74 16789.02  1977.39  178.843   13.119  199.818   12.247 -20.97490 17.94668 
1 1 1   -4   10   22 o   35.991   11.861  527.582  401.993  610.494  453.377  222.741  869.333   38.484   12.592   39.097   16.353 -0.6131935 20.63960 
1 1 1   -4   10   23 o  103.454   8.8419  4497.06  735.597  4395.08  922.521  4675.09  1218.92  101.141   11.434  102.354   15.122 -1.212479 18.95829 
1 1 1   -4   10   24 o   39.241   12.210  675.626  430.490  778.242  461.870  -3.5051  1188.19   41.795   12.580   40.792   18.076 1.002880 22.02293 
1 1 1   -4   10   25 o   66.314   11.457  1987.22  594.587  1843.18  655.114  2660.46  1416.30   62.766   13.269   68.122   22.255 -5.355507 25.91048 
1 1 1   -4   12    1 o  412.010   16.891 69050.39  5650.74 65089.44  9784.42 71032.65  6921.76  398.002   30.509  417.696   20.409 -19.69443 36.70601 
1 1 1   -4   12    3 o  351.854   18.073 50498.79  5145.91 49818.06  7310.38 51167.38  7244.91  348.584   26.016  353.375   25.420 -4.791321 36.37270 
1 1 1   -4   12    4 o  211.921   12.021 18307.82  2059.91 22452.59  2951.61 14372.25  2876.16  234.478   15.592  186.960   19.220 47.51764 24.74916 
1 1 1   -4   12    5 o  1050.09   73.449 464291.81 62231.07   0.0000   0.0000 464291.81 62231.07  ?   ?   1050.09   73.449 0.000000 73.44914 
1 1 1   -4   12    6 o  833.482   40.187 284922.59 27196.95 282738.19 38520.02 287093.91 38404.82  823.890   57.950  830.469   57.305 -6.579712 81.49856 
1 1 1   -4   12    7 o  381.081   15.790 59065.86  4885.94 61236.30  8610.50 58035.11  5933.75  386.324   27.632  377.066   19.447 9.257355 33.78947 
1 1 1   -4   12    8 o  677.078   25.777 187323.80 14171.23 217143.20 24685.55 172666.09 17307.18  723.913   42.180  647.901   33.008 76.01172 53.55993 
1 1 1   -4   12    9 o  710.276   27.385 206955.91 15793.40 234305.59 27488.10 193478.30 19296.33  747.721   45.492  683.722   34.874 63.99847 57.32136 
1 1 1   -4   12   10 o  508.090   25.322 106079.00 10446.57 101959.90 14894.09 110067.60 14656.14  493.323   37.463  513.510   35.366 -20.18710 51.51919 
1 1 1   -4   12   11 o  458.149   18.078 85836.30  6725.11 97284.55 11784.72 80307.67  8189.52  483.763   30.152  441.609   22.918 42.15317 37.87313 
1 1 1   -4   12   12 o  189.267   9.0814 14573.56  1395.62 15695.43  2558.59 14098.40  1665.15  195.302   16.283  185.732   11.092 9.569885 19.70204 
1 1 1   -4   12   13 o  201.017   8.0638 16436.34  1316.17 16187.05  1861.84 16685.36  1860.84  198.952   11.575  202.025   11.390 -3.072205 16.23985 
1 1 1   -4   12   14 o  246.778   9.0291 24793.88  1809.21 23822.96  2562.72 25758.61  2554.52  241.167   13.137  251.206   12.524 -10.03926 18.14993 
1 1 1   -4   12   15 o  231.431   9.0153 21817.29  1694.10 20790.69  2389.50 22854.83  2402.20  225.126   13.129  236.171   12.572 -11.04483 18.17770 
1 1 1   -4   12   16 o  100.874   6.8709  4160.05  559.418  3892.27  747.336  4501.31  843.669   97.223   9.5920  104.554   10.062 -7.330910 13.90152 
1 1 1   -4   12   17 o  149.205   7.6448  9098.54  923.052  9942.06  1311.75  8271.16  1299.13  155.554   10.446  141.648   11.392 13.90573 15.45626 
1 1 1   -4   12   18 o   96.244   7.3347  3803.39  568.870  3695.82  724.102  3976.83  919.450   94.489   9.5700   97.573   11.848 -3.084030 15.23056 
1 1 1   -4   12   19 o   90.917   7.6570  3407.61  559.992  3921.23  708.260  2551.07  914.635   97.294   9.0699   76.757   15.213 20.53672 17.71155 
1 1 1   -4   12   20 o   34.676   9.5058  512.061  275.619  604.718  293.405 -183.4319  803.852   37.563   9.5875   33.869   14.945 3.693939 17.75602 
1 1 1   -4   12   21 o  102.209   8.2771  4336.52  681.019  5079.90  856.926  3062.14  1121.99  110.253   9.6699   82.666   17.272 27.58701 19.79497 
1 1 1   -4   12   22 o   60.916   9.8429  1586.37  470.244  1721.38  525.571  1044.51  1052.93   63.273   10.605   51.562   19.036 11.71122 21.79085 
1 1 1   -4   12   23 o   52.592   10.923  1215.05  451.201  1327.29  487.695  548.146  1188.76   54.894   11.318   46.422   19.245 8.472378 22.32599 
1 1 1   -4   12   24 o   64.609   10.762  1840.80  544.712  1781.33  595.036  2148.39  1353.38   62.916   12.087   64.023   21.774 -1.107216 24.90398 
1 1 1   -4   12   25 o   81.805   10.177  2968.44  661.379  2763.02  734.978  3842.80  1516.32   77.623   12.052   80.966   22.338 -3.342491 25.38150 
1 1 1   -4   14    1 o  459.111   18.722 85753.03  6979.15 74829.96 12095.90 91204.18  8544.96  426.321   35.260  473.276   22.236 -46.95511 41.68557 
1 1 1   -4   14    2 o  921.913   44.160 349071.00 33056.59 380506.50 46782.25 317724.50 46715.98  955.906   60.587  870.865   66.570 85.04108 90.01303 
1 1 1   -4   14    3 o  529.841   37.292 115484.70 15941.07   0.0000   0.0000 115484.70 15941.07  ?   ?   529.841   37.292 0.000000 37.29168 
1 1 1   -4   14    4 o  1305.66   93.110 733084.38 98063.91   0.0000   0.0000 733084.38 98063.91  ?   ?   1305.66   93.110 0.000000 93.11013 
1 1 1   -4   14    5 o  775.416   37.131 246444.41 23378.13 263055.69 33117.84 229945.20 33005.78  796.074   51.512  742.876   55.112 53.19788 75.43686 
1 1 1   -4   14    6 o  733.937   34.991 220909.59 20852.43 241651.30 29560.47 200365.20 29419.60  762.840   47.969  692.716   52.700 70.12421 71.26220 
1 1 1   -4   14    7 o  1151.40   50.222 553189.81 46952.66 503796.91 81505.10 577722.38 57441.46  1058.59   95.864  1167.96   60.780 -109.3711 113.5086 
1 1 1   -4   14    8 o  461.264   19.976 86891.09  7481.57 79961.30 13146.08 90210.77  9098.78  437.792   37.339  468.785   23.984 -30.99298 44.37836 
1 1 1   -4   14    9 o  496.819   25.127 101670.10 10103.33 97462.49 14474.32 105668.00 14109.21  482.270   37.252  503.272   34.740 -21.00128 50.93695 
1 1 1   -4   14   10 o  385.776   15.385 60735.39  4819.02 67288.34  8545.39 57679.65  5835.42  403.246   26.242  374.919   19.234 28.32739 32.53565 
1 1 1   -4   14   11 f   64.426   7.7241  1711.76  396.004  1492.56  873.377  1768.49  444.301   59.732   17.123   65.384   8.5756 -5.651974 19.15062 
1 1 1   -4   14   12 o  163.280   8.7785 10878.63  1159.56  9659.55  2191.88 11352.41  1366.44  152.510   18.050  166.671   10.145 -14.16068 20.70617 
1 1 1   -4   14   13 o  391.605   16.117 62794.52  5124.65 64685.64  9098.79 61915.90  6201.90  392.872   28.722  387.538   19.775 5.334167 34.87134 
1 1 1   -4   14   14 o  453.563   18.236 84597.63  6715.74 92259.23 11875.60 80995.50  8142.83  466.845   31.513  441.675   22.783 25.16968 38.88661 
1 1 1   -4   14   15 o  178.850   9.3246 13073.80  1349.43 15477.68  2607.52 12194.49  1577.04  193.295   16.780  172.434   11.327 20.86108 20.24533 
1 1 1   -4   14   16 o  245.092   11.326 24577.47  2254.01 27683.28  4225.43 23342.18  2664.83  257.153   20.404  238.011   13.849 19.14200 24.66031 
1 1 1   -4   14   17 o  269.565   10.538 29791.92  2306.64 32700.53  3300.81 27015.92  3224.68  280.833   14.525  254.750   15.665 26.08243 21.36330 
1 1 1   -4   14   18 o  159.526   7.6294 10407.77  988.230  9654.93  1372.64 11217.90  1423.91  152.628   11.153  164.704   10.705 -12.07619 15.45963 
1 1 1   -4   14   19 o  140.745   7.9420  8150.69  903.912  8766.99  1234.91  7439.41  1326.67  145.267   10.541  133.157   12.414 12.11028 16.28548 
1 1 1   -4   14   20 o   22.288   8.9353  100.437  246.074   52.593  260.041  510.291  761.102   21.713   9.0011   41.288   15.967 -19.57444 18.32926 
1 1 1   -4   14   21 o   18.898   8.6345 -189.8141  295.622 -281.3124  315.257  476.844  850.961   18.506   8.6171   41.943   16.683 -23.43761 18.77668 
1 1 1   -4   14   22 o   72.693   8.6735  2228.84  501.840  2821.12  560.788 -152.4187  1124.44   81.932   8.5558   39.582   17.560 42.35003 19.53358 
1 1 1   -4   14   23 o   74.694   9.0670  2379.72  538.635  3013.00  617.678  369.495  1100.49   84.106   9.1945   43.106   18.235 40.99966 20.42164 
1 1 1   -4   14   24 o   23.013   9.8661   17.966  329.796   52.098  342.112 -430.6574  1240.31   23.983   10.157   37.579   17.357 -13.59636 20.11063 
1 1 1   -4   14   25 o   39.528   12.497  734.024  449.107  734.024  449.107   0.0000   0.0000   39.528   12.497  ?   ?  0.000000 12.49714 
1 1 1   -4   16    1 o  718.477   35.112 211356.20 20483.54   0.0000   0.0000 211356.20 20483.54  ?   ?   718.477   35.112 0.000000 35.11184 
1 1 1   -4   16    2 o  924.111   36.893 350101.59 27682.42 386108.41 47954.10 332105.81 33901.51  960.254   61.832  896.258   46.747 63.99579 77.51479 
1 1 1   -4   16    3 o  920.007   44.433 348928.69 33192.21 360798.50 46990.59 337108.91 46891.30  926.599   62.828  894.466   65.008 32.13367 90.40735 
1 1 1   -4   16    4 o  651.455   31.670 173844.70 16752.21 180636.41 23757.21 167127.91 23625.75  659.753   44.610  633.986   46.213 25.76678 64.23211 
1 1 1   -4   16    5 o  689.523   33.253 195356.00 18617.09 211191.91 26404.78 179701.70 26252.97  711.701   45.938  654.765   49.753 56.93561 67.71712 
1 1 1   -4   16    6 o  276.258   14.795 31164.66  3306.60 36667.83  4766.38 26058.91  4591.04  299.095   19.737  251.462   22.731 47.63326 30.10430 
1 1 1   -4   16    7 o  621.739   29.756 159312.30 15021.82 181466.30 21339.78 137551.41 21149.62  658.453   40.105  570.162   46.078 88.29126 61.08698 
1 1 1   -4   16    8 o  819.391   35.910 279714.09 23891.66 328230.19 34031.57 232563.09 33549.40  877.791   47.929  731.392   56.942 146.3995 74.42836 
1 1 1   -4   16    9 o  655.476   26.604 177203.00 14159.30 172736.80 24765.07 179372.09 17258.36  634.216   48.458  657.019   32.351 -22.80341 58.26424 
1 1 1   -4   16   10 o  617.065   24.402 156890.91 12226.16 162970.00 21432.28 153958.30 14885.83  618.163   42.967  608.939   30.107 9.223755 52.46482 
1 1 1   -4   16   11 o  385.727   15.912 60838.23  4983.75 61747.36  8901.41 60423.13  6014.87  384.524   28.717  383.273   19.391 1.251343 34.65079 
1 1 1   -4   16   12 o  402.244   17.130 66316.23  5594.81 59266.91  9971.16 69555.38  6759.07  374.122   33.168  411.179   20.245 -37.05655 38.85847 
1 1 1   -4   16   13 o  278.394   12.663 31655.72  2862.46 29318.75  5269.78 32633.83  3409.25  264.588   24.819  281.944   14.946 -17.35559 28.97185 
1 1 1   -4   16   14 o  122.924   8.6386  6184.96  856.742  6492.65  1878.92  6104.20  962.640  124.050   19.280  121.971   9.8029 2.078735 21.62919 
1 1 1   -4   16   15 o  126.725   8.7420  6578.48  894.018  7309.87  2000.25  6395.89  999.397  131.511   19.307  124.780   9.9467 6.731544 21.71832 
1 1 1   -4   16   16 o  173.903   9.9001 12411.98  1392.15 12744.97  3076.66 12326.25  1561.10  172.491   22.503  173.045   11.170 -0.5544434 25.12317 
1 1 1   -4   16   17 o  143.541   9.8960  8496.46  1146.34 13029.00  2776.81  7565.32  1258.59  174.260   19.986  135.009   11.594 39.25148 23.10563 
1 1 1   -4   16   18 o  177.205   10.672 13010.22  1528.33 13938.08  3495.97 12790.99  1699.32  175.850   25.205  175.230   12.016 0.6194305 27.92279 
1 1 1   -4   16   19 o  163.796   11.246 11201.27  1486.64 14179.73  3471.35 10532.31  1645.14  175.617   25.054  158.108   12.928 17.50905 28.19310 
1 1 1   -4   16   20 o   55.611   16.616  1363.08  807.968 -3072.7090  2292.30  1992.33  863.377   43.498   21.065   66.776   16.109 -23.27818 26.51884 
1 1 1   -4   16   21 o   91.451   14.553  3682.50  1044.42  6979.75  3309.29  3317.74  1100.67  110.374   33.773   85.848   16.388 24.52531 37.53903 
1 1 1   -4   16   22 o   63.160   19.898  1908.22  1139.34  1081.22  3534.48  2004.12  1203.59   67.422   30.426   64.484   20.466 2.937721 36.66906 
1 1 1   -4   16   23 o   78.560   20.450  3166.25  1317.18   0.0000   0.0000  3166.25  1317.18  ?   ?    78.560   20.450 0.000000 20.45024 
1 1 1   -4   16   24 o   79.782   25.994  4190.01  1932.74   0.0000   0.0000  4190.01  1932.74  ?   ?    79.782   25.994 0.000000 25.99433 
1 1 1   -4   18    1 o  560.266   22.738 128205.90 10343.98 128939.50 17978.40 127842.90 12646.94  557.023   40.017  558.629   27.882 -1.606323 48.77253 
1 1 1   -4   18    2 o  330.280   14.654 44404.90  3929.78 50863.66  6839.82 41222.27  4801.35  351.884   24.084  317.413   18.712 34.47089 30.49886 
1 1 1   -4   18    3 o  448.536   22.423 82236.05  8166.50 92320.21 11626.10 72414.44 11473.76  472.951   30.436  417.715   34.127 55.23575 45.72769 
1 1 1   -4   18    4 o  285.625   15.786 33348.39  3646.87 35034.38  5243.09 31768.22  5075.87  291.811   22.297  277.725   22.708 14.08585 31.82441 
1 1 1   -4   18    5 o  552.888   27.089 125715.00 12161.13 138118.09 17301.44 113602.90 17097.26  575.137   37.249  519.907   40.829 55.23035 55.26744 
1 1 1   -4   18    6 f  150.852   11.282  9313.56  1371.90 10289.21  2055.33  8529.59  1842.40  157.960   16.257  143.697   16.066 14.26329 22.85594 
1 1 1   -4   18    7 o  679.682   49.724 198448.09 27251.19 198448.09 27251.19   0.0000   0.0000  679.682   49.724  ?   ?  0.000000 49.72398 
1 1 1   -4   18    8 o  459.006   23.189 86830.19  8614.43 90098.18 12311.43 83695.44 12057.83  464.143   32.880  447.034   33.462 17.10880 46.91298 
1 1 1   -4   18    9 o  307.775   12.997 38625.76  3248.06 40151.22  5946.90 37977.25  3877.49  311.354   23.701  304.471   15.738 6.882599 28.45065 
1 1 1   -4   18   10 o  440.866   16.699 79548.87  5977.69 88443.59 10681.49 75492.88  7212.97  460.419   28.715  428.547   20.729 31.87192 35.41533 
1 1 1   -4   18   11 o  353.296   13.822 50994.12  3965.13 59538.06  7216.71 47299.54  4745.62  378.793   23.581  339.230   17.286 39.56290 29.23814 
1 1 1   -4   18   12 o  154.920   8.9824  9806.04  1125.05  9121.10  2374.15 10004.39  1277.61  147.406   20.381  156.353   10.118 -8.946274 22.75440 
1 1 1   -4   18   13 o  272.272   12.286 30296.43  2716.10 30078.68  5115.49 30381.91  3205.23  267.909   23.762  271.914   14.570 -4.004395 27.87386 
1 1 1   -4   18   14 o  151.245   9.0262  9361.00  1103.42  9657.65  2408.24  9282.18  1241.40  151.344   20.094  150.437   10.224 0.9075928 22.54534 
1 1 1   -4   18   15 o  111.575   8.9596  5116.43  804.846 10662.72  1939.33  3962.40  884.625  160.033   15.103   97.684   11.366 62.34918 18.90198 
1 1 1   -4   18   16 o  361.252   16.192 54453.55  4749.45 54196.63  8795.95 54559.29  5642.75  346.501   31.612  359.018   19.429 -12.51706 37.10511 
1 1 1   -4   18   17 o  347.070   15.485 50552.18  4363.81 53967.05  8141.74 49175.77  5168.97  343.401   29.486  339.227   18.840 4.174408 34.99084 
1 1 1   -4   18   18 f  ?   ?  -2221.9829  448.485 -3116.4910  1532.52 -2138.2009  469.018   32.669   16.111  ?   ?  0.000000 16.11050 
1 1 1   -4   18   19 o  124.578   11.733  6542.86  1172.87  4813.90  2747.38  6928.19  1296.99   97.584   30.916  127.843   12.661 -30.25896 33.40798 
1 1 1   -4   18   20 o  198.079   12.050 16618.51  1928.80 16280.45  4205.15 16708.58  2170.60  178.435   30.095  197.492   13.619 -19.05652 33.03334 
1 1 1   -4   18   21 o  160.516   12.678 11107.24  1638.86 12705.10  4126.05 10807.93  1785.77  146.125   35.194  157.227   14.139 -11.10193 37.92848 
1 1 1   -4   18   22 o   55.554   20.455  1402.06  1214.45   0.0000   0.0000  1402.06  1214.45  ?   ?    55.554   20.455 0.000000 20.45524 
1 1 1   -4   18   23 o   58.094   21.999  1761.98  1424.77   0.0000   0.0000  1761.98  1424.77  ?   ?    58.094   21.999 0.000000 21.99878 
1 1 1   -4   20    1 o  299.436   16.876 36711.39  4086.44   0.0000   0.0000 36711.39  4086.44  ?   ?   299.436   16.876 0.000000 16.87624 
1 1 1   -4   20    2 o  401.609   16.999 65848.63  5543.12 67272.57  9655.56 65148.64  6769.86  402.578   29.749  398.345   21.005 4.232910 36.41736 
1 1 1   -4   20    3 o  151.482   25.257  9679.57  2997.21   0.0000   0.0000  9679.57  2997.21  ?   ?   151.482   25.257 0.000000 25.25718 
1 1 1   -4   20    4 o  251.459   14.912 25880.39  3031.09 26462.83  4390.00 25349.77  4190.19  253.182   21.560  247.867   21.018 5.315079 30.10951 
1 1 1   -4   20    5 o  797.378   59.383 279410.81 38171.94 279410.81 38171.94   0.0000   0.0000  797.378   59.383  ?   ?  0.000000 59.38343 
1 1 1   -4   20    6 o  554.023   28.529 127318.60 12789.94 118442.50 18236.17 135911.41 17942.80  527.259   42.970  567.206   39.200 -39.94702 58.16391 
1 1 1   -4   20    7 o  346.209   18.636 49229.21  5219.52 49845.68  7550.53 48665.00  7223.36  346.186   27.077  342.301   26.188 3.885498 37.66925 
1 1 1   -4   20    8 o  341.639   18.441 47968.51  5096.59 48482.56  7380.22 47499.86  7046.69  341.174   26.858  337.986   25.874 3.188141 37.29384 
1 1 1   -4   20    9 o  453.507   19.829 84509.52  7301.56 77727.84 13026.08 87616.53  8816.91  426.707   37.994  460.019   23.685 -33.31161 44.77190 
1 1 1   -4   20   10 o  466.249   21.634 89682.38  8190.15 76191.30 14593.03 95885.93  9895.61  417.861   43.655  480.002   25.481 -62.14050 50.54756 
1 1 1   -4   20   11 o  111.102   8.3284  5052.92  745.846  3203.77  1839.12  5416.91  815.957   86.726   24.844  115.002   8.8051 -28.27631 26.35813 
1 1 1   -4   20   12 o  194.397   9.2916 15401.98  1466.62 19527.59  3081.03 14193.27  1667.68  217.113   17.629  186.136   11.084 30.97678 20.82458 
1 1 1   -4   20   13 o  260.666   11.823 27799.57  2502.39 29330.09  4878.81 27253.19  2915.04  264.024   22.987  257.325   14.004 6.699310 26.91720 
1 1 1   -4   20   14 o  292.762   12.609 35210.54  2997.41 41169.04  5767.60 33005.74  3508.41  311.612   22.957  282.249   15.367 29.36288 27.62517 
1 1 1   -4   20   15 o  240.243   11.940 23779.35  2329.13 23387.88  4913.56 23892.80  2645.20  230.398   26.764  239.921   13.635 -9.522537 30.03672 
1 1 1   -4   20   16 o  232.327   11.959 22395.84  2248.33 24131.77  4852.15 21921.21  2537.14  232.128   26.202  229.076   13.703 3.052124 29.56898 
1 1 1   -4   20   17 o  181.812   10.928 13737.66  1605.80 16861.38  3975.96 13128.81  1755.33  191.789   26.218  177.188   12.276 14.60085 28.95020 
1 1 1   -4   20   18 o   53.419   16.721  1228.51  805.979  723.273  2862.74  1272.01  839.956   67.104   28.923   54.326   17.080 12.77789 33.58972 
1 1 1   -4   20   19 o  163.383   11.423 11251.69  1505.92 13286.46  3750.54 10860.59  1644.29  162.422   29.526  159.770   12.782 2.652359 32.17429 
1 1 1   -4   20   20 o   79.930   15.895  2884.63  995.290  3912.53  2967.25  2754.32  1056.50   84.893   31.834   77.425   17.247 7.468407 36.20579 
1 1 1   -4   20   21 o   94.484   21.065  4412.85  1574.85  7082.59  4027.55  3930.98  1711.08   98.601   37.065   86.964   23.621 11.63631 43.95203 
1 1 1   -4   20   22 o   79.943   26.062  3813.00  1942.64   0.0000   0.0000  3813.00  1942.64  ?   ?    79.943   26.062 0.000000 26.06152 
1 1 1   -4   20   23 o   55.736   23.562  1680.99  1835.67   0.0000   0.0000  1680.99  1835.67  ?   ?    55.736   23.562 0.000000 23.56239 
1 1 1   -4   22    1 o  140.517   20.158  8251.15  2234.07   0.0000   0.0000  8251.15  2234.07  ?   ?   140.517   20.158 0.000000 20.15811 
1 1 1   -4   22    2 o  747.123   38.036 234829.41 22997.72 224904.80 32535.48 244739.70 32511.92  716.383   56.390  749.939   53.749 -33.55615 77.90194 
1 1 1   -4   22    3 o  634.958   25.753 166298.80 13277.50 153877.80 23061.42 172457.70 16239.02  597.722   47.920  644.318   31.040 -46.59528 57.09457 
1 1 1   -4   22    4 o  204.134   12.056 17037.99  1989.34 14469.39  3436.01 18333.12  2439.85  186.144   23.240  211.484   14.292 -25.34064 27.28305 
1 1 1   -4   22    5 o   95.934   12.890  3819.39  978.644  4935.71  1543.04  3068.18  1265.80  108.353   18.183   84.896   18.854 23.45692 26.19314 
1 1 1   -4   22    6 f  433.084   22.900 77484.70  8024.26 76510.73 11540.23 78396.37 11165.10  426.141   33.625  432.100   32.051 -5.959534 46.45374 
1 1 1   -4   22    7 o  442.885   23.485 81195.14  8415.17 78734.06 12132.44 83476.88 11682.04  431.111   34.960  445.199   32.542 -14.08835 47.76213 
1 1 1   -4   22    8 o  247.920   15.428 25247.70  3090.27 24154.90  4621.59 26131.40  4156.00  240.484   23.988  251.123   20.562 -10.63901 31.59518 
1 1 1   -4   22    9 o  431.341   22.862 77204.35  7978.42 76566.86 11531.84 77789.69 11049.96  424.216   33.758  428.605   31.982 -4.389557 46.50233 
1 1 1   -4   22   10 o  214.359   9.7395 18728.39  1695.19 22739.53  3522.30 17519.25  1933.89  234.263   18.673  206.840   11.561 27.42288 21.96197 
1 1 1   -4   22   11 o  116.553   8.3775  5562.09  787.538  5880.87  2078.21  5508.64  851.008  117.039   22.688  115.898   9.1168 1.141426 24.45080 
1 1 1   -4   22   12 o  153.155   9.9512  9618.95  1230.79  5535.23  2809.68 10588.65  1369.14  111.821   30.225  160.624   10.557 -48.80268 32.01510 
1 1 1   -4   22   13 o  119.020   9.0879  5822.02  871.622  2843.54  2287.49  6327.92  942.743   83.258   28.308  124.056   9.4298 -40.79802 29.83738 
1 1 1   -4   22   14 o   70.700   9.8708  2088.82  551.188 -366.6124  2609.56  2203.48  563.910   61.127   26.953   72.661   9.8087 -11.53381 28.68185 
1 1 1   -4   22   15 f  163.041   9.9843 10978.59  1315.39 15222.23  3345.40 10202.54  1430.62  186.164   22.595  156.770   11.315 29.39345 25.26950 
1 1 1   -4   22   16 o   62.973   14.387  1728.26  719.551 -115.8390  2450.95  1902.19  752.720   59.408   26.161   66.104   14.429 -6.696178 29.87650 
1 1 1   -4   22   17 o  133.069   11.027  7414.25  1180.72  6135.73  3313.60  7600.18  1263.66  108.698   33.884  134.489   11.688 -25.79180 35.84339 
1 1 1   -4   22   18 o   75.661   18.407  2610.91  1119.99   0.0000   0.0000  2610.91  1119.99  ?   ?    75.661   18.407 0.000000 18.40660 
1 1 1   -4   22   19 o  159.093   17.863 11391.48  2267.61  9632.59  4381.06 12035.13  2650.24  122.511   39.064  160.919   20.768 -38.40807 44.24184 
1 1 1   -4   22   20 o   41.297   18.244 -45.6070  1201.29  7285.64  3354.49 -1124.1230  1286.62  107.024   34.189   35.614   16.841 71.41049 38.11156 
1 1 1   -4   22   21 f   33.982   15.217 -160.6073  864.989   0.0000   0.0000 -160.6073  864.989  ?   ?    33.982   15.217 0.000000 15.21668 
1 1 1   -4   22   22 o   55.710   22.480  1608.91  1568.60   0.0000   0.0000  1608.91  1568.60  ?   ?    55.710   22.480 0.000000 22.48008 
1 1 1   -4   24    1 o  642.903   33.022 173367.70 17179.70   0.0000   0.0000 173367.70 17179.70  ?   ?   642.903   33.022 0.000000 33.02174 
1 1 1   -4   24    2 o  545.678   23.086 122737.70 10228.70 113978.00 17910.62 126977.60 12460.61  514.680   43.260  552.471   27.867 -37.79108 51.45839 
1 1 1   -4   24    3 o  383.540   17.342 60253.11  5400.57 55289.11  9473.63 62642.88  6573.22  362.065   32.574  389.774   20.845 -27.70898 38.67237 
1 1 1   -4   24    4 o  239.273   13.307 23441.48  2575.16 24839.26  4510.70 22765.63  3136.53  244.334   23.007  235.247   16.525 9.086716 28.32714 
1 1 1   -4   24    5 o  217.174   14.802 19372.42  2594.68 21506.45  3894.14 17668.54  3479.61  227.524   21.328  206.096   21.090 21.42731 29.99454 
1 1 1   -4   24    6 o  410.621   22.350 69838.69  7423.79 69291.56 10758.43 70336.02 10257.13  404.307   33.061  408.305   31.174 -3.998444 45.44083 
1 1 1   -4   24    7 o  658.453   34.543 184352.91 18403.90 177383.91 26329.57 191010.59 25734.71  628.196   52.089  655.979   48.663 -27.78375 71.28353 
1 1 1   -4   24    8 o  267.236   16.748 29438.61  3615.76 28519.12  5455.18 30159.07  4828.84  260.201   26.176  268.947   22.314 -8.746124 34.39592 
1 1 1   -4   24    9 o  124.630   14.161  6444.15  1407.59  5509.13  2376.72  6949.28  1746.91  112.517   26.459  128.879   17.117 -16.36160 31.51330 
1 1 1   -4   24   10 o   81.486   8.3451  2734.01  544.359  1212.62  1723.47  2902.61  573.729   63.360   24.147   83.960   8.5345 -20.60001 25.61050 
1 1 1   -4   24   11 o  434.827   19.099 78683.35  6743.06 69157.84 12392.17 82690.08  8037.07  390.876   39.592  443.226   22.405 -52.34912 45.49150 
1 1 1   -4   24   12 o  310.496   12.997 39736.24  3276.76 44907.50  6476.29 37956.90  3798.89  322.885   24.895  302.122   15.539 20.76361 29.34592 
1 1 1   -4   24   13 o  149.041   9.2187  9140.61  1110.13 14167.46  3105.32  8404.04  1188.68  180.935   21.562  142.637   10.334 38.29716 23.91010 
1 1 1   -4   24   14 f   27.690   12.005 -60.5463  499.112 -2911.5149  2217.49   91.593  512.256   44.061   21.183   30.206   12.587 13.85502 24.64017 
1 1 1   -4   24   15 o   31.615   12.749  199.167  504.167  3088.71  3034.71  117.151  511.272   85.245   32.148   30.495   12.630 54.75016 34.53969 
1 1 1   -4   24   16 o  124.802   16.828  6789.33  1661.79  7395.27  3466.47  6608.52  1893.56  118.915   34.121  121.526   19.877 -2.611336 39.48840 
1 1 1   -4   24   17 o   40.131   17.729 -178.2831  1134.43  1816.80  2930.32 -530.0090  1230.37   72.908   30.219   39.152   17.782 33.75643 35.06268 
1 1 1   -4   24   18 o  150.040   18.670 10216.42  2225.30 10515.01  5013.64 10143.17  2483.32  123.920   41.910  147.172   21.409 -23.25240 47.06159 
1 1 1   -4   24   19 o  104.670   13.921  4842.64  1153.80  7806.25  4168.42  4596.74  1200.71  105.070   38.016  101.262   15.062 3.807732 40.89092 
1 1 1   -4   24   20 o  130.923   15.511  7864.67  1616.82   0.0000   0.0000  7864.67  1616.82  ?   ?   130.923   15.511 0.000000 15.51077 
1 1 1   -4   24   21 o   46.434   20.430  483.691  1491.67   0.0000   0.0000  483.691  1491.67  ?   ?    46.434   20.430 0.000000 20.42962 
1 1 1   -4   26    1 o  293.230   18.338 35454.09  4344.13   0.0000   0.0000 35454.09  4344.13  ?   ?   293.230   18.338 0.000000 18.33764 
1 1 1   -4   26    2 o  145.745   15.657  8796.92  1823.76   0.0000   0.0000  8796.92  1823.76  ?   ?   145.745   15.657 0.000000 15.65660 
1 1 1   -4   26    3 o  305.645   15.581 38363.49  3854.05 37212.80  6863.23 38893.47  4657.79  296.962   28.827  306.970   18.778 -10.00723 34.40311 
1 1 1   -4   26    4 o  277.827   14.858 31691.35  3339.70 31323.06  5929.47 31862.46  4041.77  272.689   27.141  277.853   18.012 -5.163696 32.57368 
1 1 1   -4   26    5 o  536.411   23.690 119484.80 10318.23 109017.50 17972.99 124630.60 12601.84  496.539   45.070  544.390   28.610 -47.85114 53.38350 
1 1 1   -4   26    6 o  333.472   20.151 46109.18  5430.64 41477.55  8018.85 50033.20  7380.92  311.199   32.201  344.826   26.566 -33.62717 41.74498 
1 1 1   -4   26    7 o  408.396   22.472 69571.42  7423.23 73629.87 10911.91 66075.20 10127.95  414.115   32.718  392.613   32.050 21.50183 45.80039 
1 1 1   -4   26    8 o  120.742   15.547  6093.37  1488.81  4890.69  2582.76  6691.88  1821.99  105.573   29.164  125.962   18.354 -20.38923 34.45852 
1 1 1   -4   26    9 o  121.697   15.294  6198.51  1477.89  7207.51  2616.94  5726.02  1790.80  128.266   26.017  115.749   19.764 12.51615 32.67247 
1 1 1   -4   26   10 o  122.177   8.6433  6128.50  851.919  6776.14  2592.26  6050.08  902.022  123.431   26.646  121.295   9.2280 2.136246 28.19852 
1 1 1   -4   26   11 o   82.075   8.3681  2782.99  549.863  3520.47  2903.76  2755.56  559.995   91.107   31.855   81.630   8.5771 9.477524 32.98974 
1 1 1   -4   26   12 o  180.971   10.834 13543.32  1584.69 14798.78  4275.83 13343.41  1706.20  178.815   30.547  179.328   11.783 -0.5135803 32.74045 
1 1 1   -4   26   13 o  104.876   15.942  4730.03  1314.81  6555.38  2872.64  4246.29  1478.80  117.105   30.059   98.062   19.260 19.04272 35.69976 
1 1 1   -4   26   14 o   56.420   18.157  1353.31  944.839  1299.05  2864.21  1359.94  1000.86   71.445   29.766   56.839   18.715 14.60601 35.16071 
1 1 1   -4   26   15 o   58.399   20.687  1390.13  1227.59 -2510.2000  3669.60  1881.61  1302.64   60.390   28.522   65.289   21.344 -4.899433 35.62419 
1 1 1   -4   26   16 o   59.387   14.336  1563.21  683.431  1500.48  3339.38  1565.95  698.209   73.172   31.383   59.387   14.586 13.78509 34.60696 
1 1 1   -4   26   17 f   42.727   15.601  688.849  704.378 -7359.5908  3573.53  1014.19  718.473   46.140   23.058   48.501   15.851 -2.361267 27.98114 
1 1 1   -4   26   18 f   38.927   15.681  403.513  761.877  1332.18  4016.99  368.860  775.962   70.648   32.104   38.697   15.741 31.95094 35.75485 
1 1 1   -4   26   19 o   69.620   17.405  2340.40  981.243   0.0000   0.0000  2340.40  981.243  ?   ?    69.620   17.405 0.000000 17.40493 
1 1 1   -4   26   20 o   42.608   17.761  555.165  1020.55   0.0000   0.0000  555.165  1020.55  ?   ?    42.608   17.761 0.000000 17.76125 
1 1 1   -4   26   21 o   63.509   26.124  3010.19  2167.34   0.0000   0.0000  3010.19  2167.34  ?   ?    63.509   26.124 0.000000 26.12354 
1 1 1   -4   28    1 o  266.791   18.554 29488.12  3994.30   0.0000   0.0000 29488.12  3994.30  ?   ?   266.791   18.554 0.000000 18.55417 
1 1 1   -4   28    2 o  591.575   32.010 149302.50 15318.51   0.0000   0.0000 149302.50 15318.51  ?   ?   591.575   32.010 0.000000 32.01013 
1 1 1   -4   28    3 o  417.987   23.550 73075.87  7960.06   0.0000   0.0000 73075.87  7960.06  ?   ?   417.987   23.550 0.000000 23.54984 
1 1 1   -4   28    4 o  152.492   14.990  9640.36  1832.06  9634.41  3633.17  9642.39  2121.55  147.808   31.250  151.938   17.518 -4.129745 35.82477 
1 1 1   -4   28    5 o  240.612   15.372 23915.76  2987.50 26478.65  5493.00 22839.22  3560.09  248.644   27.677  234.082   18.892 14.56157 33.51024 
1 1 1   -4   28    6 o  111.691   15.602  5239.03  1376.33  3519.99  2679.45  5855.15  1604.12   91.972   30.638  117.778   17.289 -25.80556 35.17912 
1 1 1   -4   28    7 o  339.716   21.144 48609.28  5803.41 46821.53  8767.22 50003.55  7742.50  324.554   33.763  339.795   28.320 -15.24112 44.06794 
1 1 1   -4   28    8 o  104.655   17.893  4691.65  1465.84  4176.83  2730.42  4900.10  1737.44   97.220   30.822  106.117   20.908 -8.896980 37.24477 
1 1 1   -4   28    9 f  173.895   16.020 12711.12  2236.58 13058.43  3921.96 12543.73  2722.69  169.787   29.520  171.153   19.967 -1.366608 35.63894 
1 1 1   -4   28   10 o  103.133   18.639  4627.28  1503.42  5038.52  3117.62  4502.66  1716.14  103.786   32.939  100.679   21.637 3.107262 39.40989 
1 1 1   -4   28   11 o   93.348   17.997  3813.14  1314.64  3391.75  3083.61  3906.75  1453.34   88.931   32.617   93.933   19.685 -5.001984 38.09692 
1 1 1   -4   28   12 o  180.305   17.106 13952.14  2474.44 15862.31  4976.30 13324.72  2852.01  177.793   35.711  174.128   20.569 3.665192 41.21101 
1 1 1   -4   28   13 f   52.829   12.559  1212.85  530.808 -3183.6260  3046.10  1350.53  539.055   52.542   25.145   55.838   12.228 -3.295578 27.96079 
1 1 1   -4   28   14 o   91.867   10.811  3561.71  790.998  3505.65  3519.98  3564.69  811.760   87.113   34.156   91.808   11.116 -4.694466 35.91912 
1 1 1   -4   28   15 o   93.131   11.598  3698.51  858.018 -3775.3721  4373.30  3997.71  875.024   60.964   29.419   96.977   11.326 -36.01263 31.52416 
1 1 1   -4   28   16 o  108.037   12.517  5035.27  1077.72 13166.14  5364.63  4693.32  1100.15  136.296   43.203  103.846   13.357 32.44961 45.22072 
1 1 1   -4   28   17 o  120.143   12.508  6281.34  1202.31 12075.44  5920.99  6032.16  1227.89  115.224   44.541  117.334   13.113 -2.110390 46.43148 
1 1 1   -4   28   18 o   59.792   17.181  1725.78  878.315   0.0000   0.0000  1725.78  878.315  ?   ?    59.792   17.181 0.000000 17.18067 
1 1 1   -4   28   19 o   24.759   12.285 -1926.0100  942.289   0.0000   0.0000 -1926.0100  942.289  ?   ?    24.759   12.285 0.000000 12.28526 
1 1 1   -4   28   20 o   43.344   20.334 -148.4041  1810.11   0.0000   0.0000 -148.4041  1810.11  ?   ?    43.344   20.334 0.000000 20.33390 
1 1 1   -4   30    1 o  190.263   28.300 15830.11  4238.87   0.0000   0.0000 15830.11  4238.87  ?   ?   190.263   28.300 0.000000 28.30014 
1 1 1   -4   30    2 o  182.679   28.181 14632.44  4045.61   0.0000   0.0000 14632.44  4045.61  ?   ?   182.679   28.181 0.000000 28.18107 
1 1 1   -4   30    3 o  230.987   31.675 23725.00  5784.26   0.0000   0.0000 23725.00  5784.26  ?   ?   230.987   31.675 0.000000 31.67468 
1 1 1   -4   30    4 o  130.487   37.040  7987.10  4107.15   0.0000   0.0000  7987.10  4107.15  ?   ?   130.487   37.040 0.000000 37.04036 
1 1 1   -4   30    5 o  275.722   36.793 35213.53  8031.50   0.0000   0.0000 35213.53  8031.50  ?   ?   275.722   36.793 0.000000 36.79261 
1 1 1   -4   30    7 o  175.829   22.743 13499.15  3170.91   0.0000   0.0000 13499.15  3170.91  ?   ?   175.829   22.743 0.000000 22.74331 
1 1 1   -4   30    8 o  142.037   22.451  8905.33  2503.25   0.0000   0.0000  8905.33  2503.25  ?   ?   142.037   22.451 0.000000 22.45140 
1 1 1   -4   30    9 f  280.822   26.756 35636.24  6027.11   0.0000   0.0000 35636.24  6027.11  ?   ?   280.822   26.756 0.000000 26.75616 
1 1 1   -4   30   10 o  253.146   25.362 29009.35  5142.99   0.0000   0.0000 29009.35  5142.99  ?   ?   253.146   25.362 0.000000 25.36229 
1 1 1   -4   30   11 o   45.263   11.187  884.464  408.800 -1965.4070  3640.56  920.858  411.402   62.598   29.193   46.187   11.106 16.41035 31.23450 
1 1 1   -4   30   12 o   95.731   10.042  3840.59  768.959 -2067.9700  3670.94  4111.75  786.406   61.762   28.969   99.127   9.9030 -37.36457 30.61475 
1 1 1   -4   30   13 o  188.424   12.192 15006.17  1855.25 10850.50  5921.29 15458.53  1953.62  126.408   45.364  190.953   12.672 -64.54494 47.10089 
1 1 1   -4   30   14 o   96.602   11.099  3971.14  854.775 -1592.0160  4669.74  4163.99  869.465   67.853   32.086   98.983   11.004 -31.12939 33.92111 
1 1 1   -4   30   15 o   79.684   12.555  2774.53  785.435  5113.48  4672.44  2706.51  796.773   90.033   37.801   78.512   12.950 11.52179 39.95789 
1 1 1   -4   30   16 o  105.525   12.322  4867.81  1035.88  3632.20  6191.23  4903.40  1050.69   80.125   37.594  105.828   12.467 -25.70293 39.60733 
1 1 1   -4   30   17 f  117.255   12.730  6124.49  1192.52   0.0000   0.0000  6124.49  1192.52  ?   ?   117.255   12.730 0.000000 12.73005 
1 1 1   -4   30   18 o   44.956   16.921  896.147  839.948   0.0000   0.0000  896.147  839.948  ?   ?    44.956   16.921 0.000000 16.92148 
1 1 1   -4   32    1 o  263.870   21.243 29932.49  4512.87   0.0000   0.0000 29932.49  4512.87  ?   ?   263.870   21.243 0.000000 21.24315 
1 1 1   -4   32    2 o  130.517   28.761  7843.74  2965.81   0.0000   0.0000  7843.74  2965.81  ?   ?   130.517   28.761 0.000000 28.76146 
1 1 1   -4   32    3 o  312.721   31.572 44938.96  7906.88   0.0000   0.0000 44938.96  7906.88  ?   ?   312.721   31.572 0.000000 31.57159 
1 1 1   -4   32    4 o   86.561   25.767  3382.37  1945.62  5915.70  4215.59  2696.69  2193.18  110.926   38.405   79.798   27.697 31.12811 47.35019 
1 1 1   -4   32    5 o  194.762   20.841 16482.61  3244.72 18895.67  5844.75 15407.61  3901.08  194.855   38.307  184.414   26.840 10.44078 46.77432 
1 1 1   -4   32    6 o  193.448   18.605 16103.51  2886.36 13917.27  5899.80 16791.42  3309.46  159.924   44.037  196.007   21.128 -36.08270 48.84323 
1 1 1   -4   32    7 o  195.948   18.786 16605.89  2952.23 20812.88  5989.49 15255.79  3393.03  202.647   37.791  184.928   23.101 17.71854 44.29224 
1 1 1   -4   32    8 o  136.129   38.411  9874.65  4430.40  8484.70  5438.18 12617.89  7639.85  122.650   43.532  139.540   51.316 -16.88981 67.29282 
1 1 1   -4   32    9 o   68.344   30.446   8.9363  3415.17   8.9363  3415.17   0.0000   0.0000   68.344   30.446  ?   ?  0.000000 30.44569 
1 1 1   -4   32   10 o  140.798   45.781 12611.72  5996.09 12611.72  5996.09   0.0000   0.0000  140.798   45.781  ?   ?  0.000000 45.78097 
1 1 1   -4   32   11 o  135.138   11.885  7726.46  1290.82  9309.14  4879.74  7607.38  1338.50  122.619   41.347  133.820   12.462 -11.20021 43.18449 
1 1 1   -4   32   12 o   99.003   11.476  4176.61  905.381  4022.98  5392.65  4181.07  918.418   90.259   39.298   98.988   11.650 -8.728691 40.98791 
1 1 1   -4   32   13 o   47.326   13.218  991.524  527.470   0.0000   0.0000  991.524  527.470  ?   ?    47.326   13.218 0.000000 13.21828 
1 1 1   -4   32   14 f   29.616   12.241  146.103  478.947   0.0000   0.0000  146.103  478.947  ?   ?    29.616   12.241 0.000000 12.24141 
1 1 1   -4   32   15 o   40.407   15.738  562.188  743.492   0.0000   0.0000  562.188  743.492  ?   ?    40.407   15.738 0.000000 15.73777 
1 1 1   -4   32   16 o   52.161   17.917  1312.34  916.678   0.0000   0.0000  1312.34  916.678  ?   ?    52.161   17.917 0.000000 17.91729 
1 1 1   -4   34    1 o  146.727   25.194  9833.00  2893.44   0.0000   0.0000  9833.00  2893.44  ?   ?   146.727   25.194 0.000000 25.19423 
1 1 1   -4   34    2 o  120.983   25.559  6776.53  2432.10   0.0000   0.0000  6776.53  2432.10  ?   ?   120.983   25.559 0.000000 25.55902 
1 1 1   -4   34    3 o   66.262   25.768  1501.98  1990.91   0.0000   0.0000  1501.98  1990.91  ?   ?    66.262   25.768 0.000000 25.76829 
1 1 1   -4   34    4 o  128.570   26.392  7742.38  2662.87   0.0000   0.0000  7742.38  2662.87  ?   ?   128.570   26.392 0.000000 26.39202 
1 1 1   -4   34    5 o  107.776   25.652  5476.81  2212.37  7491.52  5529.83  5092.87  2413.99  115.489   43.428  102.677   28.126 12.81277 51.74028 
1 1 1   -4   34    6 o   69.419   25.116  2017.27  1819.53  1406.56  4881.25  2115.82  1960.85   83.513   36.841   71.149   26.023 12.36465 45.10451 
1 1 1   -4   34    7 o  113.571   24.998  6115.86  2242.78  9420.58  5738.68  5520.11  2436.57  122.986   44.589  105.999   27.921 16.98743 52.60950 
1 1 1   -4   34    8 o   95.516   26.033  4451.00  2074.25 -91.4530  5640.01  5161.50  2230.58   79.965   36.962  102.608   26.565 -22.64398 45.51768 
1 1 1   -4   34    9 o   64.973   25.057  1663.00  1870.26  6909.35  5911.34  1079.43  1971.54  104.731   43.119   60.718   24.938 44.01279 49.81109 
1 1 1   -4   34   10 o   58.407   24.089  994.461  1849.04  9703.02  6068.99  103.384  1941.34  114.367   44.847   52.906   23.291 61.46167 50.53433 
1 1 1   -4   34   11 f   85.498   10.059  3105.39  684.942  6754.41  5514.39  3048.21  690.287   97.979   41.098   84.624   10.256 13.35571 42.35818 
1 1 1   -4   34   12 o   16.295   7.8412 -444.9076  305.587  2025.94  6434.69 -450.4928  305.932   79.091   37.479   16.256   7.8284 62.83511 38.28738 
1 1 1   -4   34   13 f  146.294   11.080  9223.41  1306.40 21964.51  8091.83  8882.43  1323.77  129.158   51.421  143.251   11.477 -14.09372 52.68623 
1 1 1   -4   34   14 o   72.895   12.143  2380.97  693.423  9565.42  7804.85  2323.81  696.176   83.365   39.989   71.871   12.376 11.49419 41.86070 
1 1 1   -4   34   15 o   65.080   14.338  2017.03  737.188   0.0000   0.0000  2017.03  737.188  ?   ?    65.080   14.338 0.000000 14.33759 
1 1 1   -4   36    1 o   98.890   30.958  4965.80  2762.77   0.0000   0.0000  4965.80  2762.77  ?   ?    98.890   30.958 0.000000 30.95844 
1 1 1   -4   36    2 o  125.843   30.447  8006.16  3077.30   0.0000   0.0000  8006.16  3077.30  ?   ?   125.843   30.447 0.000000 30.44682 
1 1 1   -4   36    3 o   79.427   29.319  2882.13  2497.43   0.0000   0.0000  2882.13  2497.43  ?   ?    79.427   29.319 0.000000 29.31856 
1 1 1   -4   36    4 o  113.534   30.241  6619.57  2837.76   0.0000   0.0000  6619.57  2837.76  ?   ?   113.534   30.241 0.000000 30.24124 
1 1 1   -4   36    5 o  141.865   28.088  9995.83  3120.96   0.0000   0.0000  9995.83  3120.96  ?   ?   141.865   28.088 0.000000 28.08787 
1 1 1   -4   36    6 o  262.220   23.911 32419.64  5035.06 39416.16 11184.05 30641.11  5638.82  210.719   61.529  247.913   28.533 -37.19385 67.82247 
1 1 1   -4   36    7 o   36.729   17.792 -2266.7720  1638.22 -8859.8203  6129.07 -1759.5090  1700.07   61.955   30.840   39.743   18.955 22.21253 36.19931 
1 1 1   -4   36    8 o   59.680   24.329  1205.32  1858.77  655.889  6889.10  1248.45  1930.36   80.926   38.473   60.569   24.754 20.35736 45.74835 
1 1 1   -4   36    9 o   55.558   23.867  664.637  1937.06  612.523  7131.32  668.788  2012.73   79.028   37.992   56.252   24.249 22.77605 45.07093 
1 1 1   -4   36   10 o   65.988   26.682  1966.41  2214.72  2122.18  8401.89  1954.78  2295.92   80.481   39.280   66.200   27.019 14.28091 47.67481 
1 1 1   -4   36   11 o   26.690   10.611  180.778  344.131 -3002.9609  8513.30  185.989  344.412   70.174   35.146   26.805   10.628 43.36939 36.71803 
1 1 1   -4   36   12 o   30.374   12.076  257.780  445.725 -121.8377  8958.55  258.722  446.277   69.608   35.025   30.402   12.085 39.20550 37.05123 
1 1 1   -4   36   13 o   42.919   12.976  851.032  490.591   0.0000   0.0000  851.032  490.591  ?   ?    42.919   12.976 0.000000 12.97599 
1 1 1   -4   36   14 o   49.493   22.638  642.715  2039.39   0.0000   0.0000  642.715  2039.39  ?   ?    49.493   22.638 0.000000 22.63809 
1 1 1   -4   38    1 o  100.453   34.405  5902.09  3379.25   0.0000   0.0000  5902.09  3379.25  ?   ?   100.453   34.405 0.000000 34.40535 
1 1 1   -4   38    2 o   67.305   29.144  1216.00  2933.76   0.0000   0.0000  1216.00  2933.76  ?   ?    67.305   29.144 0.000000 29.14359 
1 1 1   -4   38    3 o  289.880   31.391 45105.35  7270.64   0.0000   0.0000 45105.35  7270.64  ?   ?   289.880   31.391 0.000000 31.39133 
1 1 1   -4   38    4 o   63.696   27.906  890.098  2757.19   0.0000   0.0000  890.098  2757.19  ?   ?    63.696   27.906 0.000000 27.90550 
1 1 1   -4   38    5 o  139.484   33.077 11246.93  3689.43   0.0000   0.0000 11246.93  3689.43  ?   ?   139.484   33.077 0.000000 33.07745 
1 1 1   -4   38    6 o  201.359   31.960 22980.96  5050.75   0.0000   0.0000 22980.96  5050.75  ?   ?   201.359   31.960 0.000000 31.95966 
1 1 1   -4   38    7 o   70.596   28.282  2528.14  2463.39 -3071.9790  9811.42  2904.91  2544.90   75.038   37.604   73.553   28.978 1.484528 47.47381 
1 1 1   -4   38    8 o   45.489   21.631 -1421.5341  2180.05  5486.21  9234.50 -1829.2410  2243.46   81.479   40.057   44.627   21.416 36.85237 45.42270 
1 1 1   -4   38    9 o  136.055   34.385 12560.33  3800.34 25901.81 11817.17 11021.34  4013.55   98.404   47.697  119.363   37.305 -20.95919 60.55293 
1 1 1   -4   38   10 o   59.358   26.362  1460.81  2540.63 -1124.5890 10594.41  1618.56  2616.99   67.700   34.490   60.452   26.805 7.248344 43.68183 
1 1 1   -4   38   11 o   81.387   10.621  2939.96  685.168   0.0000   0.0000  2939.96  685.168  ?   ?    81.387   10.621 0.000000 10.62140 
1 1 1   -4   40    1 o  104.613   37.172  8242.37  3966.52   0.0000   0.0000  8242.37  3966.52  ?   ?   104.613   37.172 0.000000 37.17249 
1 1 1   -4   40    2 o   93.511   36.806  6824.58  4102.00   0.0000   0.0000  6824.58  4102.00  ?   ?    93.511   36.806 0.000000 36.80584 
1 1 1   -4   40    3 o  120.593   40.283 11959.84  4631.38   0.0000   0.0000 11959.84  4631.38  ?   ?   120.593   40.283 0.000000 40.28325 
1 1 1   -4   40    4 o   77.062   32.903  4017.63  3641.23   0.0000   0.0000  4017.63  3641.23  ?   ?    77.062   32.903 0.000000 32.90349 
1 1 1   -4   40    5 o   84.557   35.043  5880.77  3939.70   0.0000   0.0000  5880.77  3939.70  ?   ?    84.557   35.043 0.000000 35.04266 
1 1 1   -4   40    6 o  117.165   38.618 11889.12  4261.26   0.0000   0.0000 11889.12  4261.26  ?   ?   117.165   38.618 0.000000 38.61834 
1 1 1   -4   40    7 o  139.921   42.515 18966.70  5256.90   0.0000   0.0000 18966.70  5256.90  ?   ?   139.921   42.515 0.000000 42.51482 
1 1 1   -4   40    8 o   66.561   29.678  3309.41  3253.06 -8978.5000 14052.87  4005.16  3343.89   61.917   31.970   69.718   30.633 -7.800995 44.27734 
1 1 1   -4   42    1 o   75.873   34.688  6666.39  4780.86   0.0000   0.0000  6666.39  4780.86  ?   ?    75.873   34.688 0.000000 34.68813 
1 1 1   -4   42    2 o   78.572   35.641  7859.66  4923.02   0.0000   0.0000  7859.66  4923.02  ?   ?    78.572   35.641 0.000000 35.64099 
1 1 1   -4   42    3 o   79.121   35.127  7705.52  4507.87   0.0000   0.0000  7705.52  4507.87  ?   ?    79.121   35.127 0.000000 35.12749 
1 1 1   -3    1    3 o  204.889   7.7629 17063.73  1291.47 16997.46  1826.12 17130.04  1826.70  204.066   11.062  204.867   11.022 -0.8003845 15.61596 
1 1 1   -3    1    4 o  764.716   37.344 243363.00 23187.71 259055.00 32783.06 227653.09 32801.69  778.512   52.163  726.831   56.013 51.68109 76.54028 
1 1 1   -3    1    5 o  1111.01   54.712 522504.31 49355.49 515303.81 69789.77 529708.62 69808.63  1075.86   80.474  1092.29   79.250 -16.42993 112.9448 
1 1 1   -3    1    6 o  357.282   12.494 51905.95  3624.56 52524.35  5123.10 51286.20  5128.72  359.127   17.569  354.403   17.880 4.724426 25.06746 
1 1 1   -3    1    7 o  339.147   11.925 46749.05  3283.76 45266.33  4641.40 48235.01  4646.49  333.079   17.221  344.312   16.620 -11.23276 23.93285 
1 1 1   -3    1    8 o  641.263   21.729 167478.20 11314.22 170977.80 15998.58 163976.70 16002.86  646.942   30.456  633.472   31.112 13.46918 43.53805 
1 1 1   -3    1    9 o  749.195   25.288 228774.91 15383.18 234280.00 21753.24 223267.91 21756.96  756.729   35.403  738.588   36.279 18.14050 50.69106 
1 1 1   -3    1   10 o  814.024   27.431 270414.50 18130.88 273907.91 25638.66 266919.81 25643.22  817.193   38.640  806.591   39.154 10.60187 55.00989 
1 1 1   -3    1   11 o  447.602   15.360 81528.97  5582.54 79751.20  7890.92 83310.32  7898.89  442.151   21.980  451.954   21.525 -9.802826 30.76368 
1 1 1   -3    1   12 o  801.258   39.058 266973.41 25410.65 278431.69 35935.57 255514.41 35936.61  807.225   55.157  771.270   57.805 35.95514 79.89782 
1 1 1   -3    1   13 o  286.448   10.443 33390.06  2428.85 33360.55  3431.72 33419.69  3438.10  285.599   14.850  285.850   14.864 -0.2516785 21.01094 
1 1 1   -3    1   14 o  175.938   7.4489 12584.40  1064.12 12334.00  1499.89 12838.16  1509.95  173.726   10.685  177.269   10.538 -3.543060 15.00699 
1 1 1   -3    1   15 o  314.522   11.401 40316.77  2911.51 38765.75  4108.88 41880.87  4126.17  307.329   16.526  319.987   15.881 -12.65768 22.92001 
1 1 1   -3    1   16 o  395.138   68.417 75082.87 21155.82 23058.79 36670.37 101036.60 25900.80  236.519  102.725  455.280   72.495 -218.7612 125.7300 
1 1 1   -3    1   17 o  345.985   12.508 48929.00  3513.77 48242.74  4962.98 49618.71  4975.48  341.882   17.941  346.802   17.728 -4.919739 25.22252 
1 1 1   -3    1   18 o  287.404   10.759 33754.43  2510.80 34084.78  3548.82 33423.34  3552.80  287.473   15.258  284.612   15.431 2.861481 21.70127 
1 1 1   -3    1   19 o  267.443   10.293 29301.26  2235.22 29001.01  3157.00 29603.07  3165.18  264.429   14.763  267.213   14.644 -2.783844 20.79378 
1 1 1   -3    1   20 o   55.125   10.329  1289.71  445.317  1172.70  611.251  1422.07  650.088   52.204   14.092   57.351   14.067 -5.146946 19.91149 
1 1 1   -3    1   21 o  194.184   8.8615 15513.78  1397.21 13836.25  1966.41 17224.28  1985.63  181.379   13.448  203.122   12.094 -21.74275 18.08618 
1 1 1   -3    1   22 o  181.226   9.3383 13624.65  1369.46 12882.27  1901.66 14424.40  1973.77  174.166   13.554  184.516   13.263 -10.35027 18.96336 
1 1 1   -3    1   23 o   30.734   12.720  140.610  518.069  596.360  714.915 -363.3745  751.795   41.497   15.613   30.629   13.907 10.86777 20.90841 
1 1 1   -3    1   24 o   61.136   13.560  1678.16  655.488  2827.22  986.031  768.251  877.441   78.593   15.995   45.507   17.256 33.08598 23.52939 
1 1 1   -3    1   25 o   54.228   14.549  1373.32  653.886 -123.4365  902.946  3023.80  948.181   35.001   15.619   80.738   15.016 -45.73702 21.66647 
1 1 1   -3    1   26 o   97.334   12.712  4359.80  980.672  5115.17  1356.19  3531.96  1419.76  101.016   17.148   78.702   21.574 22.31399 27.55888 
1 1 1   -3    3    3 o  780.005   56.142 262945.31 35318.86 262945.31 35318.86   0.0000   0.0000  780.005   56.142  ?   ?  0.000000 56.14165 
1 1 1   -3    3    4 o  599.340   20.411 146839.41  9932.90 144172.00 14041.87 149510.80 14052.62  591.745   29.225  602.748   28.713 -11.00287 40.97006 
1 1 1   -3    3    5 o  344.387   12.083 48240.89  3378.72 48181.97  4775.73 48299.94  4780.74  343.853   17.105  344.274   17.102 -0.4208984 24.18834 
1 1 1   -3    3    6 o  199.769   7.6680 16210.75  1243.80 16221.24  1758.03 16200.23  1759.96  199.481   10.895  199.350   10.914 0.1307678 15.42172 
1 1 1   -3    3    7 o  254.796   9.3038 26373.92  1924.83 26276.02  2720.42 26472.06  2723.82  253.893   13.242  254.844   13.209 -0.9510651 18.70342 
1 1 1   -3    3    8 o  165.839   9.5987 11209.68  1286.99  8885.33  1821.85 13525.04  1818.32  147.012   15.496  182.011   12.377 -34.99898 19.83215 
1 1 1   -3    3    9 o  844.231   28.315 290786.19 19409.23 286163.09 27445.53 295411.50 27452.05  835.352   40.464  848.876   39.828 -13.52374 56.77671 
1 1 1   -3    3   10 o  890.354   29.827 323885.59 21563.22 320189.00 30490.73 327584.19 30499.25  882.370   42.558  892.629   42.080 -10.25916 59.84919 
1 1 1   -3    3   11 o  512.814   17.436 107111.50  7260.30 107292.20 10263.47 106930.40 10271.77  512.416   24.668  511.543   24.730 0.8729553 34.92966 
1 1 1   -3    3   12 o  746.286   36.378 231123.20 22043.51 223218.59 31175.30 239026.59 31173.16  722.670   53.509  749.266   51.553 -26.59558 74.30349 
1 1 1   -3    3   13 o  175.607   7.4201 12534.70  1058.01 12674.51  1487.13 12391.40  1505.54  176.172   10.443  174.161   10.698 2.011322 14.94998 
1 1 1   -3    3   14 o  308.906   11.171 38863.42  2801.85 39611.50  3959.26 38112.97  3965.56  310.991   15.731  304.978   16.071 6.013153 22.48811 
1 1 1   -3    3   15 o   40.931   9.7332  709.583  318.749  612.081  440.499  816.748  461.813   39.083   12.379   44.148   12.382 -5.065037 17.50836 
1 1 1   -3    3   16 o  170.099   7.5181 11770.80  1038.37 11673.93  1463.76 11868.92  1473.23  168.881   10.730  170.294   10.709 -1.413025 15.15983 
1 1 1   -3    3   17 o  271.206   10.431 30004.92  2297.02 30453.40  3241.39 29552.49  3255.60  272.193   14.721  268.058   15.018 4.135620 21.02969 
1 1 1   -3    3   18 o  130.437   7.1260  6948.26  751.866  7195.56  1050.78  6688.82  1076.27  132.398   9.8449  127.526   10.487 4.871292 14.38398 
1 1 1   -3    3   19 o   77.949   8.3253  2509.61  518.771  3016.17  710.393  1930.82  759.358   85.154   10.497   67.117   14.368 18.03699 17.79338 
1 1 1   -3    3   20 o  116.691   8.1483  5602.72  767.200  5818.16  1066.81  5371.94  1104.12  118.228   11.249  113.316   12.192 4.911865 16.58841 
1 1 1   -3    3   21 o  167.806   8.6119 11608.69  1169.44 11493.46  1650.54 11724.84  1657.16  165.645   12.361  167.345   12.282 -1.700211 17.42494 
1 1 1   -3    3   22 o  211.929   9.3791 18595.15  1613.95 19186.08  2271.91 17993.10  2293.19  212.890   13.208  205.753   13.806 7.137115 19.10695 
1 1 1   -3    3   23 o   87.149   9.8662  3207.54  685.854  2929.52  937.616  3527.51  1005.86   81.369   14.734   89.667   14.296 -8.298141 20.52924 
1 1 1   -3    3   24 o   20.777   9.9278 -597.6954  470.982 -1334.9570  612.294  470.655  737.066   20.262   10.028   39.460   15.579 -19.19758 18.52744 
1 1 1   -3    3   25 o   79.172   12.052  2789.75  750.329  2640.34  987.626  2993.70  1153.93   74.075   16.806   77.734   18.542 -3.659119 25.02492 
1 1 1   -3    3   26 o   70.196   14.107  2359.25  776.154  1349.45  963.747  4223.03  1309.31   51.337   18.314   89.959   18.541 -38.62215 26.06152 
1 1 1   -3    5    3 f  607.894   29.506 152204.80 14564.05 155708.00 20614.07 148713.50 20579.33  609.109   41.936  594.762   42.902 14.34662 59.99306 
1 1 1   -3    5    4 o  555.201   21.410 125944.10  9651.59 139294.09 16755.16 119314.50 11807.32  579.548   35.781  539.387   26.960 40.16119 44.80047 
1 1 1   -3    5    5 o  504.960   16.818 103828.60  6895.40 108152.10  9750.62 99503.36  9752.52  514.659   23.333  493.528   24.337 21.13092 33.71541 
1 1 1   -3    5    6 o  251.589   9.4439 25716.43  1929.21 26803.92  2724.05 24622.09  2732.61  256.431   13.127  245.693   13.753 10.73734 19.01210 
1 1 1   -3    5    7 o  739.804   24.748 223151.80 14866.11 220456.80 21020.44 225848.59 21027.27  733.707   35.284  742.700   34.868 -8.993225 49.60625 
1 1 1   -3    5    8 o  571.479   27.316 133208.00 12675.28 121068.30 17907.94 145395.59 17943.21  541.744   41.015  594.712   37.348 -52.96802 55.47170 
1 1 1   -3    5    9 o  154.797   6.6713  9730.96  838.511 10734.87  1176.88  8695.91  1194.99  162.320   8.9641  145.954   10.147 16.36623 13.53916 
1 1 1   -3    5   10 o  288.356   10.354 33785.63  2424.18 35872.47  3423.64 31687.38  3432.99  297.018   14.196  278.708   15.228 18.30988 20.81845 
1 1 1   -3    5   11 o  1038.81   34.772 444586.69 29329.18 437441.31 41473.11 451735.31 41482.35  1022.53   49.952  1039.60   49.143 -17.06689 70.07258 
1 1 1   -3    5   12 o  462.478   22.754 87661.07  8544.49 95665.29 12094.22 79684.55 12073.27  480.190   31.188  437.069   34.295 43.12140 46.35578 
1 1 1   -3    5   13 o  314.224   11.278 40200.87  2877.40 41044.93  4063.23 39351.78  4075.31  317.070   15.783  309.993   16.247 7.077148 22.65099 
1 1 1   -3    5   14 o  387.873   13.589 61376.04  4279.65 61400.33  6046.74 61351.66  6057.96  387.008   19.243  386.846   19.286 0.1619263 27.24407 
1 1 1   -3    5   15 o  140.349   6.9168  8009.04  788.231  7360.17  1089.29  8722.26  1142.04  134.056   10.081  146.042   9.6858 -11.98621 13.98015 
1 1 1   -3    5   16 o  201.609   8.3222 16544.73  1362.33 16492.36  1917.77 16598.07  1935.62  200.680   11.822  201.314   11.894 -0.6338043 16.76979 
1 1 1   -3    5   17 o  276.234   10.476 31135.10  2349.61 29604.47  3308.21 32693.13  3337.70  268.185   15.255  282.022   14.626 -13.83752 21.13375 
1 1 1   -3    5   18 o  122.456   7.0364  6126.65  696.695  6987.24  965.113  5190.21  1006.76  130.534   9.1639  112.085   11.213 18.44860 14.48093 
1 1 1   -3    5   19 o   81.213   8.7056  2727.22  565.118  3027.60  748.501  2329.00  861.821   85.170   11.086   73.702   14.913 11.46777 18.58260 
1 1 1   -3    5   20 o   71.488   9.2078  2132.35  522.053  1691.73  682.925  2751.85  809.764   62.570   13.812   80.497   12.819 -17.92760 18.84394 
1 1 1   -3    5   21 o  111.185   8.3234  5108.92  745.970  4368.12  987.998  6091.19  1137.69  101.700   12.209  120.457   11.783 -18.75705 16.96725 
1 1 1   -3    5   22 o   71.047   10.774  2147.83  602.014  2573.94  757.013  1414.72  992.958   77.365   12.475   57.149   18.633 20.21610 22.42326 
1 1 1   -3    5   23 o  105.280   9.5448  4658.10  807.054  4180.41  1020.20  5456.96  1319.31   98.224   13.120  111.446   14.957 -13.22109 19.89574 
1 1 1   -3    5   24 o   26.151   11.585 -115.8896  487.798  181.803  596.290 -718.1550  848.140   32.782   13.613   29.668   13.918 3.114243 19.46896 
1 1 1   -3    5   25 o   44.165   14.171  884.780  575.816  1335.25  699.416 -62.8130  1014.41   53.068   15.356   37.239   16.591 15.82833 22.60642 
1 1 1   -3    5   26 o  116.975   10.912  6124.61  1024.44  6484.78  1320.41  5579.98  1623.71  116.783   14.218  100.735   20.548 16.04763 24.98729 
1 1 1   -3    7    2 o  849.954   60.995 310791.59 41814.77 310791.59 41814.77   0.0000   0.0000  849.954   60.995  ?   ?  0.000000 60.99485 
1 1 1   -3    7    3 o  396.863   19.702 64258.07  6348.81 64609.39  9002.08 63910.39  8955.27  395.962   28.184  393.800   28.193 2.161896 39.86449 
1 1 1   -3    7    4 o  824.742   58.030 286981.41 38612.90 286981.41 38612.90   0.0000   0.0000  824.742   58.030  ?   ?  0.000000 58.02991 
1 1 1   -3    7    5 o  452.395   17.532 83303.33  6439.94 88731.45 11214.36 80632.52  7866.30  464.827   29.871  444.773   21.782 20.05453 36.96928 
1 1 1   -3    7    6 o  286.894   10.488 33442.21  2443.05 33919.06  3456.18 32966.03  3453.80  288.440   14.807  284.331   15.013 4.109802 21.08669 
1 1 1   -3    7    7 o  186.573   8.2927 14138.35  1256.28 12827.01  2126.63 14841.25  1556.98  176.995   14.937  190.868   10.082 -13.87366 18.02144 
1 1 1   -3    7    8 o  146.116   6.3881  8669.91  757.891  8381.42  1067.43  8963.20  1076.27  143.349   9.2196  148.277   8.9817 -4.928223 12.87142 
1 1 1   -3    7    9 o  496.068   16.854 100100.30  6788.83 103633.90  9598.83 96563.77  9602.89  504.290   23.442  486.716   24.299 17.57370 33.76358 
1 1 1   -3    7   10 o  452.879   15.511 83456.34  5703.67 82163.83  8063.45 84750.60  8068.97  448.832   22.126  455.874   21.799 -7.041382 31.06033 
1 1 1   -3    7   11 o  255.012   9.5343 26436.90  1974.17 27679.26  2786.54 25184.93  2797.30  260.441   13.220  248.324   13.930 12.11702 19.20447 
1 1 1   -3    7   12 o  166.081   8.4738 11243.79  1138.91 11285.01  2000.32 11224.01  1385.39  165.670   15.034  165.771   10.344 -0.1009216 18.24892 
1 1 1   -3    7   13 o  367.551   12.979 55065.46  3873.51 54247.96  5471.35 55886.95  5484.62  363.586   18.595  369.558   18.278 -5.972198 26.07430 
1 1 1   -3    7   14 o  318.695   11.666 41390.32  3018.90 41436.21  4262.37 41344.13  4276.39  317.839   16.573  317.471   16.648 0.3679504 23.49085 
1 1 1   -3    7   15 o  210.884   8.6294 18099.49  1477.62 18048.91  2083.80 18150.64  2095.58  209.972   12.276  210.560   12.311 -0.5879517 17.38542 
1 1 1   -3    7   16 o  117.525   6.8700  5637.16  652.722  6968.70  910.689  4230.55  936.010  130.538   8.6409  101.158   11.606 29.37988 14.46926 
1 1 1   -3    7   17 f  381.104   13.872 59522.89  4292.56 59665.44  6063.83 59379.71  6077.40  379.252   19.760  378.303   19.855 0.9494019 28.01176 
1 1 1   -3    7   18 o  182.505   8.1666 13584.30  1210.19 15184.26  1723.59 12028.57  1699.60  192.274   11.087  170.810   12.338 21.46436 16.58734 
1 1 1   -3    7   19 o   36.856   9.1290  578.170  271.771  899.685  301.528 -813.8067  627.399   46.212   8.3430   24.175   11.526 22.03615 14.22862 
1 1 1   -3    7   20 o  112.443   7.8226  5203.45  709.756  4877.00  938.150  5640.38  1085.36  108.163   10.827  116.166   11.664 -8.002663 15.91509 
1 1 1   -3    7   21 o   21.928   9.2711   18.465  284.233  115.571  299.208 -879.4671  909.851   24.415   9.8299   30.627   14.384 -6.212801 17.42163 
1 1 1   -3    7   22 o  105.573   8.8094  4640.92  748.259  4969.61  973.890  4167.31  1169.04  108.454   11.222   97.611   15.249 10.84274 18.93260 
1 1 1   -3    7   23 o   60.087   11.924  1579.56  561.242  1803.12  654.895  961.296  1089.10   63.904   13.062   50.682   19.224 13.22158 23.24167 
1 1 1   -3    7   24 f   84.505   37.526  5007.62  5147.23   0.0000   0.0000  5007.62  5147.23  ?   ?    84.505   37.526 0.000000 37.52625 
1 1 1   -3    7   25 o   77.862   12.313  2730.96  752.589  2381.89  902.360  3528.61  1364.06   70.200   16.165   82.063   20.524 -11.86372 26.12553 
1 1 1   -3    7   26 o   94.210   14.563  4303.30  1078.05  4303.30  1078.05   0.0000   0.0000   94.210   14.563  ?   ?  0.000000 14.56260 
1 1 1   -3    9    1 o  345.143   14.459 48471.49  4052.06 48692.93  6996.11 48359.72  4970.68  344.238   25.205  344.084   17.853 0.1543274 30.88730 
1 1 1   -3    9    2 o  397.337   19.831 64345.13  6398.12 66235.86  9067.26 62470.11  9029.49  401.408   27.995  389.640   28.743 11.76721 40.12357 
1 1 1   -3    9    3 f  826.655   39.867 281314.50 26759.11 289725.69 37861.66 272919.91 37824.57  831.447   56.416  806.072   58.182 25.37488 81.04303 
1 1 1   -3    9    4 o  432.892   21.254 76351.34  7470.59 80396.88 10596.76 72353.91 10533.55  442.493   29.665  419.423   31.153 23.07043 43.01780 
1 1 1   -3    9    5 o  1410.39  102.225 870537.81 116272.20 870537.81 116272.20   0.0000   0.0000  1410.39  102.225  ?   ?  0.000000 102.2245 
1 1 1   -3    9    6 o  695.490   26.786 197280.30 15126.31 226520.09 26286.52 182804.91 18495.35  741.151   43.876  667.665   34.232 73.48572 55.64985 
1 1 1   -3    9    7 o  1464.38  105.437 933342.38 124528.60   0.0000   0.0000 933342.38 124528.60  ?   ?   1464.38  105.437 0.000000 105.4367 
1 1 1   -3    9    8 o  744.509   28.404 226220.09 17170.93 272362.91 29819.46 203330.41 21002.41  812.401   45.387  703.634   36.889 108.7664 58.48751 
1 1 1   -3    9    9 o  286.135   10.021 33266.82  2328.31 34279.35  3293.04 32254.67  3292.42  290.343   13.968  281.252   14.466 9.091522 20.10938 
1 1 1   -3    9   10 o  434.659   13.927 76887.86  4915.31 76885.23  6950.60 76890.49  6952.00  434.125   19.718  434.139   19.722 -0.1449585E-01 27.88824 
1 1 1   -3    9   11 o  104.858   8.8969  4502.31  750.343  4730.47  1115.36  4313.69  1014.14  106.984   13.114  102.182   12.483 4.802765 18.10540 
1 1 1   -3    9   12 o  587.370   20.105 141317.91  9588.50 138833.41 13558.39 143803.70 13561.99  579.484   28.816  589.950   28.312 -10.46594 40.39686 
1 1 1   -3    9   13 o  555.571   19.388 126509.90  8746.24 128311.00 12366.65 124707.40 12371.44  556.905   27.348  548.163   27.887 8.741760 39.05949 
1 1 1   -3    9   14 o   77.612   6.5519  2466.04  409.028  3058.75  547.884  1719.74  614.785   86.360   7.9009   63.874   12.300 22.48555 14.61908 
1 1 1   -3    9   15 o   97.097   6.4558  3850.11  506.075  3921.72  677.187  3759.52  761.627   97.779   8.6177   95.549   9.9636 2.229919 13.17333 
1 1 1   -3    9   16 o  224.539   8.8718 20537.53  1617.48 21016.79  2271.77 20044.78  2303.49  226.450   12.402  221.050   12.890 5.399673 17.88763 
1 1 1   -3    9   17 o  173.678   7.3932 12282.51  1042.60 11561.85  1455.39 13042.21  1494.30  167.895   10.732  178.418   10.359 -10.52359 14.91615 
1 1 1   -3    9   18 o  202.194   8.6212 16695.46  1415.38 18104.54  2003.32 15291.05  2000.00  209.693   11.814  192.396   12.877 17.29649 17.47528 
1 1 1   -3    9   19 o  168.943   8.3248 11682.73  1141.96 12314.45  1602.79 11031.42  1627.45  172.445   11.513  162.916   12.396 9.529373 16.91768 
1 1 1   -3    9   20 o  236.510   9.5100 23036.46  1826.29 24237.14  2582.32 21834.95  2583.22  240.652   13.267  227.981   14.023 12.67175 19.30402 
1 1 1   -3    9   21 o  186.390   8.8058 14328.60  1332.68 13055.68  1828.49 15771.02  1946.43  175.931   12.890  193.682   12.443 -17.75119 17.91555 
1 1 1   -3    9   22 o  103.978   8.6867  4505.29  726.671  4023.44  933.422  5246.60  1157.78   97.039   12.110  110.525   13.160 -13.48640 17.88394 
1 1 1   -3    9   23 o   17.947   8.5735 -456.8064  350.764 -27.5971  376.819 -3242.4180  959.973   24.132   10.447   21.555   10.919 2.576984 15.11174 
1 1 1   -3    9   24 o   67.709   10.875  2003.40  577.639  2074.29  667.178  1791.20  1154.36   68.186   12.512   60.634   20.105 7.551529 23.68063 
1 1 1   -3    9   25 o   66.349   12.064  2000.75  625.973  2024.01  679.047  1869.16  1615.12   66.135   13.109   59.109   23.147 7.025631 26.60139 
1 1 1   -3    9   26 o   34.592   12.986  495.331  494.021  495.331  494.021   0.0000   0.0000   34.592   12.986  ?   ?  0.000000 12.98574 
1 1 1   -3   11    1 o  381.793   15.864 59292.34  4917.92 60692.17  8510.34 58590.50  6025.93  384.579   27.433  378.826   19.658 5.752991 33.74959 
1 1 1   -3   11    2 o  1047.84   73.929 465636.69 62496.18 465636.69 62496.18   0.0000   0.0000  1047.84   73.929  ?   ?  0.000000 73.92885 
1 1 1   -3   11    3 o  551.508   27.044 124115.20 12110.34 115724.90 17153.84 132452.50 17099.49  529.444   40.203  567.236   37.335 -37.79150 54.86508 
1 1 1   -3   11    4 o  1284.09   91.613 709361.12 94892.14 709361.12 94892.14   0.0000   0.0000  1284.09   91.613  ?   ?  0.000000 91.61287 
1 1 1   -3   11    5 f  715.430   33.825 209266.20 19649.10 240043.80 27835.20 178696.41 27741.08  762.869   45.138  655.885   52.531 106.9841 69.26012 
1 1 1   -3   11    6 o  495.322   34.644 100809.10 13845.60   0.0000   0.0000 100809.10 13845.60  ?   ?   495.322   34.644 0.000000 34.64413 
1 1 1   -3   11    7 o  652.915   24.592 173755.91 13037.13 203693.09 22704.02 159028.70 15924.19  703.569   39.907  623.051   31.580 80.51782 50.89098 
1 1 1   -3   11    8 o  687.255   26.079 192805.80 14552.87 230618.91 25321.55 174155.59 17783.22  747.291   41.900  651.123   33.752 96.16754 53.80375 
1 1 1   -3   11    9 o  276.887   32.458 31918.79  7158.81   0.0000   0.0000 31918.79  7158.81  ?   ?   276.887   32.458 0.000000 32.45783 
1 1 1   -3   11   10 o  169.912   11.029 11793.64  1513.30  7439.48  2237.83 15462.52  2054.20  133.226   21.412  194.445   13.087 -61.21860 25.09508 
1 1 1   -3   11   11 o  364.374   14.919 54155.07  4413.95 55744.70  7759.54 53394.64  5366.85  367.003   26.212  360.913   18.375 6.090179 32.01057 
1 1 1   -3   11   12 o  211.471   8.2263 18185.09  1412.52 18698.48  2001.59 17675.77  1993.64  213.956   11.565  207.972   11.855 5.984116 16.56146 
1 1 1   -3   11   13 f  304.174   10.894 37686.38  2690.71 36131.89  3808.71 39235.21  3801.77  296.875   15.858  309.892   15.109 -13.01648 21.90322 
1 1 1   -3   11   14 o  373.248   13.408 56891.74  4063.45 57011.09  5746.46 56772.38  5746.72  372.054   19.086  371.260   19.129 0.7944336 27.02198 
1 1 1   -3   11   15 o  114.377   6.8039  5339.44  629.034  5824.96  858.136  4775.60  924.773  119.267   8.9261  107.692   10.718 11.57494 13.94831 
1 1 1   -3   11   16 o  200.720   8.6886 16414.67  1416.05 16616.24  1984.38 16205.52  2021.33  201.241   12.202  198.660   12.596 2.580948 17.53712 
1 1 1   -3   11   17 o  337.875   12.980 46840.35  3561.07 48459.25  5037.81 45223.63  5034.41  341.463   18.236  329.554   18.893 11.90869 26.25837 
1 1 1   -3   11   18 o  169.430   8.1078 11727.28  1115.40 12041.79  1552.65 11391.86  1603.40  170.839   11.256  165.968   11.979 4.870712 16.43736 
1 1 1   -3   11   19 o   12.899   6.4376 -728.4083  274.327 -954.9934  300.959  384.534  667.003   12.628   6.3623   38.124   14.890 -25.49580 16.19245 
1 1 1   -3   11   20 o  125.378   7.6822  6471.30  778.295  6441.62  1019.61  6512.74  1204.77  124.446   10.180  124.541   12.065 -0.9491730E-01 15.78586 
1 1 1   -3   11   21 o  106.005   8.3715  4660.85  714.689  5133.81  887.222  3786.79  1206.13  110.810   9.9675   92.578   16.658 18.23244 19.41218 
1 1 1   -3   11   22 o   33.768   11.914  430.831  406.787  353.142  445.278  822.817  1000.20   32.808   12.326   48.276   18.396 -15.46766 22.14347 
1 1 1   -3   11   23 o   66.045   9.7359  1868.47  506.442  2364.16  573.430  110.936  1079.76   74.441   9.7190   40.905   17.696 33.53622 20.18958 
1 1 1   -3   11   24 o   51.514   11.848  1195.24  485.220  1358.65  526.284  269.056  1252.98   54.879   12.133   43.698   18.984 11.18063 22.52996 
1 1 1   -3   11   25 o   52.953   12.891  1319.10  549.052  957.013  583.521  4115.10  1621.52   44.954   14.249   83.806   23.090 -38.85253 27.13285 
1 1 1   -3   13    1 o  706.010   27.850 203345.41 15965.06 198445.80 27655.54 205794.30 19551.97  692.158   49.536  709.417   33.943 -17.25958 60.04936 
1 1 1   -3   13    2 o  1083.34   52.389 484556.09 46083.71 468920.81 65196.67 500167.81 65147.78  1053.22   76.766  1089.36   74.093 -36.13879 106.6902 
1 1 1   -3   13    3 o  1320.29   63.943 725131.31 68548.88 733061.12 96979.41 717213.38 96906.15  1308.14   91.886  1293.10   92.915 15.03601 130.6763 
1 1 1   -3   13    4 o  330.945   24.339 44862.27  6494.39   0.0000   0.0000 44862.27  6494.39  ?   ?   330.945   24.339 0.000000 24.33894 
1 1 1   -3   13    5 o  888.202   42.308 323863.00 30512.05 351667.19 43201.02 296188.41 43100.28  919.313   58.175  841.377   63.558 77.93634 86.16209 
1 1 1   -3   13    6 o  985.885   46.971 400669.81 37600.35 431262.81 53237.93 370221.19 53112.14  1013.94   65.008  936.555   70.357 77.38690 95.79190 
1 1 1   -3   13    7 o  300.399   10.612 36671.58  2588.53 54503.91  4648.20 28655.22  3116.51  366.016   15.640  265.034   14.538 100.9823 21.35320 
1 1 1   -3   13    8 o  793.614   30.858 258634.41 19884.86 281697.19 34604.89 247265.09 24296.75  818.055   52.372  772.492   38.860 45.56268 65.21494 
1 1 1   -3   13    9 f  545.726   20.284 121731.70  8988.09 140931.20 15729.82 112424.00 10952.15  582.935   33.371  523.362   25.773 59.57275 42.16482 
1 1 1   -3   13   10 o  450.017   19.473 82863.42  7115.41 65185.98 12485.94 91365.35  8659.04  392.538   39.721  471.903   22.598 -79.36478 45.69953 
1 1 1   -3   13   11 o  445.882   18.100 81331.18  6552.85 81834.27 11512.79 81090.09  7969.76  442.531   32.263  444.397   22.087 -1.865631 39.09882 
1 1 1   -3   13   12 o  457.872   18.230 85867.38  6777.62 93949.45 11914.92 82001.28  8240.74  474.025   31.129  445.772   22.844 28.25327 38.61225 
1 1 1   -3   13   13 o  454.736   18.514 84842.76  6836.09 85646.27 12027.82 84459.34  8308.50  450.626   33.104  452.540   22.611 -1.913544 40.08942 
1 1 1   -3   13   14 o  386.509   15.993 61214.36  5018.99 62286.09  8906.24 60715.61  6075.58  384.988   28.697  383.574   19.573 1.413879 34.73636 
1 1 1   -3   13   15 f  207.974   10.040 17636.57  1695.38 20947.35  3205.76 16351.05  1997.58  224.966   17.693  199.650   12.384 25.31570 21.59594 
1 1 1   -3   13   16 o  119.515   6.7493  5831.85  652.284  5652.04  902.729  6028.30  943.565  117.314   9.5601  121.165   9.6714 -3.850784 13.59895 
1 1 1   -3   13   17 o   53.603   8.6562  1202.70  363.914  916.787  435.751  1861.85  661.624   46.377   11.601   66.215   12.769 -19.83742 17.25179 
1 1 1   -3   13   18 o  149.023   7.5139  9097.04  906.261  8692.46  1231.05  9575.70  1339.04  145.038   10.525  152.167   10.910 -7.129486 15.15936 
1 1 1   -3   13   19 o   57.287   8.5028  1375.38  383.508  999.439  444.383  2472.53  759.151   48.187   11.515   76.150   12.727 -27.96293 17.16282 
1 1 1   -3   13   20 o  128.099   7.7782  6764.59  805.198  5574.08  1056.29  8415.93  1244.05  115.185   11.446  141.959   10.876 -26.77361 15.78861 
1 1 1   -3   13   21 o   83.744   8.7983  2931.63  589.320  2439.16  700.210  4127.71  1091.23   75.406   11.825   97.570   14.190 -22.16341 18.47125 
1 1 1   -3   13   22 o  108.618   11.381  5034.33  988.831  2936.45  1309.07  7821.82  1508.97   78.569   20.355  134.041   14.075 -55.47204 24.74752 
1 1 1   -3   13   23 o   68.711   9.7132  2026.98  526.801  1951.28  603.488  2269.36  1079.84   66.666   11.568   68.543   18.826 -1.877174 22.09608 
1 1 1   -3   13   24 o   68.007   10.772  2042.93  575.016  1858.38  613.035  3393.91  1658.62   64.082   12.228   77.226   23.956 -13.14436 26.89666 
1 1 1   -3   13   25 o   42.905   12.622  870.476  469.085  777.376  489.839  1899.84  1628.78   40.740   13.070   56.768   22.907 -16.02809 26.37345 
1 1 1   -3   15    1 o  581.095   28.626 137776.09 13506.46   0.0000   0.0000 137776.09 13506.46  ?   ?   581.095   28.626 0.000000 28.62571 
1 1 1   -3   15    2 o  1141.94   55.344 539549.88 51315.76   0.0000   0.0000 539549.88 51315.76  ?   ?   1141.94   55.344 0.000000 55.34395 
1 1 1   -3   15    3 o  1088.47   52.636 489719.41 46520.36 489562.31 65830.25 489876.31 65749.26  1075.68   75.857  1076.10   75.732 -0.4196777 107.1892 
1 1 1   -3   15    4 o  348.274   17.926 49486.64  5051.95 54781.96  7205.46 44366.71  7085.13  365.756   24.402  328.663   26.783 37.09277 36.23232 
1 1 1   -3   15    5 f  557.734   26.912 127048.10 12187.34 143454.41 17298.50 110878.70 17173.18  590.137   36.277  517.389   41.221 72.74835 54.91013 
1 1 1   -3   15    6 o  629.427   30.068 162383.91 15367.07 183923.70 21806.05 141133.00 21659.33  666.140   40.508  581.327   46.270 84.81250 61.49614 
1 1 1   -3   15    7 o  156.296   10.438  9976.58  1317.04 13959.28  1971.44  6766.38  1769.95  184.735   13.231  127.649   17.540 57.08559 21.97068 
1 1 1   -3   15    8 o  767.463   30.866 243168.70 19234.21 244237.09 33524.40 242644.50 23483.87  753.843   55.153  763.426   37.885 -9.582764 66.91097 
1 1 1   -3   15    9 o  383.643   16.301 60086.65  5077.72 56964.54  9014.83 61537.48  6145.29  369.876   30.282  387.284   19.606 -17.40796 36.07505 
1 1 1   -3   15   10 o  192.335   9.7189 15089.69  1512.87 12302.78  2835.19 16199.09  1788.82  172.018   20.715  199.158   11.106 -27.13962 23.50465 
1 1 1   -3   15   11 o  249.220   11.301 25300.64  2286.88 23985.03  4192.18 25858.01  2728.64  240.634   21.689  251.425   13.414 -10.79037 25.50199 
1 1 1   -3   15   12 o  176.778   9.6091 12759.93  1374.09  8049.10  2605.84 14574.31  1617.19  137.672   24.194  188.855   10.589 -51.18394 26.40992 
1 1 1   -3   15   13 o  262.151   11.419 28028.16  2430.56 33521.14  4475.45 25730.29  2894.64  284.818   19.469  250.453   14.293 34.36519 24.15242 
1 1 1   -3   15   14 o  478.696   19.702 94517.81  7657.72 91894.16 13525.24 95755.66  9290.17  462.170   36.335  480.074   23.833 -17.90359 43.45356 
1 1 1   -3   15   15 o  309.586   13.185 39251.20  3314.42 44537.65  6065.10 37000.29  3957.64  326.134   23.052  299.457   16.338 26.67651 28.25492 
1 1 1   -3   15   16 o  139.391   9.0979  7966.00  1024.06  8235.18  2108.29  7882.87  1171.55  139.497   19.116  138.434   10.501 1.062576 21.81059 
1 1 1   -3   15   17 o   75.738   12.075  2418.80  717.651  326.650  2157.23  2679.16  760.996   60.208   25.503   79.784   12.129 -19.57573 28.24035 
1 1 1   -3   15   18 o  178.227   10.859 13150.93  1563.96 14298.71  3406.93 12844.48  1760.41  179.517   23.972  175.605   12.427 3.912308 27.00154 
1 1 1   -3   15   19 o  133.297   10.772  7404.94  1155.88  8354.50  2664.47  7184.82  1282.88  134.516   25.324  130.806   12.220 3.709641 28.11846 
1 1 1   -3   15   20 o   52.488   10.439  1183.28  429.250  942.218  482.863  2091.58  937.293   46.573   12.505   68.354   16.967 -21.78167 21.07749 
1 1 1   -3   15   21 o  110.962   8.4472  5126.04  755.351  4426.74  947.472  6345.66  1251.25  101.915   11.659  121.655   12.862 -19.74013 17.36009 
1 1 1   -3   15   22 o   26.416   10.224  199.150  312.293  319.698  330.746 -791.6266  948.203   29.676   10.713   31.436   14.738 -1.760403 18.22001 
1 1 1   -3   15   23 o   76.734   9.4083  2525.17  573.910  2430.24  652.625  2849.05  1205.42   74.490   11.132   75.684   19.496 -1.193954 22.44996 
1 1 1   -3   15   24 o   52.894   21.162  1328.25  1377.17   0.0000   0.0000  1328.25  1377.17  ?   ?    52.894   21.162 0.000000 21.16206 
1 1 1   -3   17    1 o  648.232   25.943 171575.59 13654.97 173806.91 23691.44 170465.59 16709.65  647.140   45.374  645.190   31.896 1.950012 55.46355 
1 1 1   -3   17    2 o  788.137   31.315 254429.70 20039.63 267287.41 34725.15 248009.41 24537.97  799.275   53.820  775.273   39.106 24.00214 66.52763 
1 1 1   -3   17    3 o  503.283   25.011 103487.90 10220.89 106353.30 14515.31 100669.90 14394.49  507.397   35.455  493.412   36.182 13.98474 50.65737 
1 1 1   -3   17    4 o  484.637   24.027 96005.87  9454.80 103017.50 13444.23 89144.72 13299.16  499.389   33.347  463.827   35.584 35.56229 48.76751 
1 1 1   -3   17    5 o  173.332   11.620 12275.32  1625.95 12441.55  2397.13 12133.67  2212.79  173.855   17.207  171.826   16.046 2.029327 23.52787 
1 1 1   -3   17    6 o  580.481   28.297 138659.20 13337.08 149734.70 18959.70 127810.30 18764.77  598.349   39.242  551.326   42.239 47.02325 57.65466 
1 1 1   -3   17    7 o  639.715   46.405 174009.59 23939.98 174009.59 23939.98   0.0000   0.0000  639.715   46.405  ?   ?  0.000000 46.40487 
1 1 1   -3   17    8 o   49.261   13.406  1021.00  550.516  828.499  884.899  1142.56  703.158   48.961   17.540   52.507   15.455 -3.546387 23.37804 
1 1 1   -3   17    9 o  388.028   16.330 61518.23  5145.11 58080.85  9181.48 63091.79  6212.13  372.905   30.593  392.429   19.496 -19.52423 36.27676 
1 1 1   -3   17   10 o   82.326   7.2452  2776.69  479.376  2931.61  1200.53  2747.31  522.870   83.008   18.304   81.806   7.9731 1.202370 19.96522 
1 1 1   -3   17   11 o  189.328   10.048 14637.91  1539.20 11834.05  2996.16 15643.19  1794.04  168.013   22.530  195.587   11.345 -27.57347 25.22552 
1 1 1   -3   17   12 o   72.414   8.2175  2161.20  474.614  4516.83  1103.40  1626.42  525.735  104.324   13.331   62.286   10.786 42.03798 17.14787 
1 1 1   -3   17   13 o  208.320   10.118 17691.54  1711.53 17142.80  3286.53 17895.74  2004.84  202.862   20.222  209.027   11.861 -6.165100 23.44395 
1 1 1   -3   17   14 o  445.208   18.479 81800.80  6680.06 82066.16 11943.49 81680.01  8058.35  436.473   33.968  442.622   22.496 -6.148376 40.74179 
1 1 1   -3   17   15 o  103.911   8.7349  4435.58  730.148  5965.01  1829.50  4145.83  796.314  118.283   19.745  100.261   9.9115 18.02207 22.09307 
1 1 1   -3   17   16 o  221.727   11.004 20180.54  1981.07 22162.89  3932.92 19506.56  2293.25  227.990   21.499  217.132   13.068 10.85837 25.15923 
1 1 1   -3   17   17 o  155.711   10.298 10017.06  1294.65  9738.01  2969.65 10082.55  1438.56  147.162   25.793  155.907   11.444 -8.745010 28.21757 
1 1 1   -3   17   18 o  123.302   10.665  6329.71  1057.28  6140.17  2684.82  6364.50  1150.22  113.429   29.030  123.359   11.620 -9.929436 31.26901 
1 1 1   -3   17   19 o   84.421   13.425  3063.96  889.426  2982.71  2524.59  3075.48  950.358   81.413   29.565   84.246   14.411 -2.832985 32.89063 
1 1 1   -3   17   20 f  106.942   13.297  4913.96  1129.70  7091.24  3081.93  4576.01  1214.22  115.778   31.806  102.371   15.057 13.40675 35.19049 
1 1 1   -3   17   21 o   51.567   18.715  1082.43  1011.39  2813.22  2557.84  761.677  1101.13   76.076   29.313   48.363   19.059 27.71363 34.96382 
1 1 1   -3   17   22 o   83.063   17.455  3245.46  1139.82   0.0000   0.0000  3245.46  1139.82  ?   ?    83.063   17.455 0.000000 17.45464 
1 1 1   -3   17   23 o   43.095   18.833  263.629  1248.86   0.0000   0.0000  263.629  1248.86  ?   ?    43.095   18.833 0.000000 18.83283 
1 1 1   -3   17   24 o   94.552   24.566  5560.28  1903.14   0.0000   0.0000  5560.28  1903.14  ?   ?    94.552   24.566 0.000000 24.56634 
1 1 1   -3   19    1 o  376.228   16.212 57696.19  4952.37 58660.27  8657.04 57227.21  6037.93  376.755   28.510  373.788   19.966 2.966461 34.80637 
1 1 1   -3   19    2 o  435.295   18.356 77341.11  6487.77 95173.45 11283.61 68534.41  7929.59  480.094   29.083  408.297   24.025 71.79700 37.72256 
1 1 1   -3   19    3 o  836.932   33.590 289902.31 22826.50 345737.69 39545.10 262002.41 27953.66  898.755   54.446  789.307   43.789 109.4479 69.87006 
1 1 1   -3   19    4 f  600.029   29.523 148560.20 14383.89 160406.59 20436.18 136930.00 20248.91  617.681   40.980  568.899   44.182 48.78198 60.26125 
1 1 1   -3   19    5 o  925.980   46.623 364268.59 34942.00 358793.81 49525.38 369695.00 49306.23  896.350   68.568  911.684   67.078 -15.33331 95.92167 
1 1 1   -3   19    6 o  437.706   32.809 80003.01 11575.48 80003.01 11575.48   0.0000   0.0000  437.706   32.809  ?   ?  0.000000 32.80873 
1 1 1   -3   19    7 o  405.129   20.869 67482.15  6841.58 70572.91  9819.49 64566.30  9537.59  411.765   29.567  393.595   30.071 18.16989 42.17175 
1 1 1   -3   19    8 f  201.821   12.793 16671.05  2085.64 17543.52  3074.94 15927.68  2838.33  206.161   18.569  196.463   17.993 9.698593 25.85586 
1 1 1   -3   19    9 o  139.585   8.5888  7956.37  968.711  6865.11  2060.42  8266.03  1097.58  127.729   20.565  142.189   9.5624 -14.45973 22.67939 
1 1 1   -3   19   10 o  204.281   8.1422 16977.40  1350.55 26087.04  2697.99 13931.54  1560.07  252.455   13.208  184.635   10.449 67.82068 16.84128 
1 1 1   -3   19   11 o  307.727   12.888 38673.19  3220.33 40530.93  5955.50 37905.55  3828.28  312.010   23.685  303.859   15.569 8.150726 28.34329 
1 1 1   -3   19   12 o  299.799   13.414 36757.95  3265.23 34736.05  6088.67 37574.18  3868.58  287.337   26.392  302.278   15.817 -14.94110 30.76869 
1 1 1   -3   19   13 o  247.716   11.306 25067.21  2274.05 25760.11  4418.01 24817.46  2652.40  248.035   22.171  245.831   13.338 2.204773 25.87353 
1 1 1   -3   19   14 o   35.297   11.743  482.701  393.694  319.377  1143.51  504.664  419.330   46.314   19.004   36.197   12.121 10.11676 22.54057 
1 1 1   -3   19   15 o   45.029   13.022  853.370  503.110  3496.97  2196.06  706.935  516.856   89.415   27.537   41.869   13.425 47.54613 30.63552 
1 1 1   -3   19   16 o  186.963   10.807 14436.95  1633.57 14709.35  3772.21 14374.07  1812.32  181.487   26.370  186.171   12.054 -4.683823 28.99436 
1 1 1   -3   19   17 o  282.409   13.400 33271.35  3072.66 35701.29  6043.98 32424.43  3568.17  280.558   26.860  276.854   15.940 3.703339 31.23365 
1 1 1   -3   19   18 o  143.086   11.352  8565.32  1308.03  8211.54  3311.19  8630.74  1423.84  128.081   31.946  143.245   12.363 -15.16376 34.25491 
1 1 1   -3   19   19 o  180.013   11.844 13643.95  1721.54  9270.47  4153.20 14551.29  1891.70  128.025   37.527  185.472   12.637 -57.44724 39.59718 
1 1 1   -3   19   20 o  201.082   12.677 17255.66  2059.18 17829.76  4831.99 17128.26  2276.22  179.778   34.354  199.140   14.170 -19.36177 37.16175 
1 1 1   -3   19   21 o  106.425   13.242  4963.72  1119.56  7031.61  3275.01  4690.08  1191.33  106.482   33.756  102.546   14.731 3.936226 36.83052 
1 1 1   -3   19   22 o   53.479   22.470  982.722  1652.99   0.0000   0.0000  982.722  1652.99  ?   ?    53.479   22.470 0.000000 22.47026 
1 1 1   -3   19   23 o   75.162   26.249  3702.30  1971.30   0.0000   0.0000  3702.30  1971.30  ?   ?    75.162   26.249 0.000000 26.24872 
1 1 1   -3   21    1 o  147.086   17.725  8966.21  2074.23   0.0000   0.0000  8966.21  2074.23  ?   ?   147.086   17.725 0.000000 17.72491 
1 1 1   -3   21    2 o  307.703   17.451 38810.46  4342.15 39054.94  6251.48 38582.58  6035.67  307.072   25.298  305.374   24.549 1.697815 35.25142 
1 1 1   -3   21    3 o  385.541   30.037 61888.29  9328.71 61888.29  9328.71   0.0000   0.0000  385.541   30.037  ?   ?  0.000000 30.03678 
1 1 1   -3   21    4 o  136.358   18.419  7741.85  1987.18  7741.85  1987.18   0.0000   0.0000  136.358   18.419  ?   ?  0.000000 18.41936 
1 1 1   -3   21    5 o  258.541   15.455 27389.04  3229.47 27024.71  4702.95 27714.15  4442.51  255.407   22.922  259.015   21.313 -3.608521 31.29903 
1 1 1   -3   21    6 f   75.820   13.930  2418.82  825.974 -512.7285  1303.79  4384.16  1067.53   42.208   18.807  102.877   13.075 -60.66852 22.90512 
1 1 1   -3   21    7 o  235.317   14.408 22693.80  2739.73 23994.34  4077.97 21623.86  3698.83  240.743   21.074  228.651   20.128 12.09178 29.14200 
1 1 1   -3   21    8 o   42.262   14.981  630.928  643.901  1386.60  1141.87  278.603  779.689   59.823   20.002   39.326   15.856 20.49704 25.52440 
1 1 1   -3   21    9 o  341.143   14.381 47576.41  3983.42 49780.09  7334.86 46654.59  4743.96  345.215   26.367  336.846   17.404 8.369232 31.59317 
1 1 1   -3   21   10 o  215.452   8.9540 18902.46  1566.42 25721.55  3239.95 16822.33  1789.45  249.998   16.046  202.815   10.906 47.18274 19.40149 
1 1 1   -3   21   11 o  346.786   15.483 49323.23  4359.69 45116.58  8055.31 51065.89  5184.66  325.541   30.842  351.726   18.217 -26.18460 35.82046 
1 1 1   -3   21   12 o  268.294   12.228 29445.58  2663.75 28684.67  5179.05 29719.27  3106.09  260.713   24.762  268.802   14.283 -8.088684 28.58613 
1 1 1   -3   21   13 o   38.200   12.024  590.558  416.114  1289.32  1505.21  532.737  432.988   61.664   22.761   37.038   12.315 24.62601 25.87925 
1 1 1   -3   21   14 o  387.271   15.515 62208.08  4878.86 76240.70  9205.04 56725.95  5753.48  418.908   27.210  367.192   19.366 51.71609 33.39792 
1 1 1   -3   21   15 o  293.269   13.674 35701.16  3256.12 41505.20  6544.39 33791.68  3753.71  306.146   26.591  283.548   16.374 22.59775 31.22806 
1 1 1   -3   21   16 o  141.849   10.226  8338.26  1169.90 10709.31  3063.55  7933.45  1265.84  153.637   25.449  138.004   11.399 15.63322 27.88476 
1 1 1   -3   21   17 o  138.039   10.765  7946.38  1197.08  8706.00  3589.95  7851.35  1269.75  131.032   33.586  136.942   11.527 -5.909439 35.50917 
1 1 1   -3   21   18 o  128.345   12.318  6973.78  1267.96  3642.83  3324.46  7540.81  1371.64   87.664   33.506  133.275   12.834 -45.61081 35.87980 
1 1 1   -3   21   19 o  144.223   17.970  9309.69  2058.77 10513.18  4304.27  8952.67  2344.32  132.658   38.009  138.751   21.505 -6.092422 43.67043 
1 1 1   -3   21   20 o   67.627   22.026  2206.74  1387.77  9827.25  4001.10  1164.59  1479.62  124.094   36.954   55.913   22.074 68.18092 43.04448 
1 1 1   -3   21   21 o   68.501   18.152  2274.33  1025.81   0.0000   0.0000  2274.33  1025.81  ?   ?    68.501   18.152 0.000000 18.15172 
1 1 1   -3   21   22 o   40.250   18.409 -241.5126  1348.46   0.0000   0.0000 -241.5126  1348.46  ?   ?    40.250   18.409 0.000000 18.40946 
1 1 1   -3   23    1 o  536.758   27.739 119541.30 12048.23   0.0000   0.0000 119541.30 12048.23  ?   ?   536.758   27.739 0.000000 27.73912 
1 1 1   -3   23    2 o  492.128   20.870 99428.23  8339.30 90679.98 14581.47 103680.50 10165.97  462.071   39.236  501.341   24.973 -39.27026 46.50915 
1 1 1   -3   23    3 o  189.900   11.796 14750.71  1809.81 13729.82  3190.05 15235.25  2197.74  181.436   22.111  192.697   14.145 -11.26038 26.24866 
1 1 1   -3   23    4 o  355.196   16.438 51604.14  4740.70 52508.01  8244.63 51157.68  5794.41  354.460   28.898  352.397   20.337 2.062988 35.33652 
1 1 1   -3   23    5 o  197.906   14.182 16075.26  2263.83 14585.32  3379.50 17288.05  3049.02  186.817   22.749  204.513   18.563 -17.69571 29.36175 
1 1 1   -3   23    6 o  410.817   22.476 69797.54  7468.94 63945.47 10778.48 75203.34 10359.34  388.330   34.544  423.348   30.338 -35.01855 45.97496 
1 1 1   -3   23    7 o   92.878   13.574  3596.86  993.428  721.218  1713.22  5053.56  1219.35   58.943   23.596  110.353   13.918 -51.40945 27.39475 
1 1 1   -3   23    8 o   85.126   14.345  3043.84  956.295  2706.11  1520.46  3264.88  1230.05   79.810   22.496   87.607   17.897 -7.797279 28.74622 
1 1 1   -3   23    9 f  396.458   21.360 65177.79  6850.59 67058.31 10005.93 63518.49  9398.93  397.485   31.255  387.396   30.117 10.08914 43.40385 
1 1 1   -3   23   10 o  443.818   17.932 81166.29  6461.94 83639.77 11813.68 80110.28  7719.07  441.646   33.186  439.447   21.633 2.199341 39.61475 
1 1 1   -3   23   11 o  293.123   13.834 35257.63  3292.62 32030.96  6331.46 36453.74  3854.89  273.202   28.984  297.098   16.039 -23.89587 33.12644 
1 1 1   -3   23   12 o  118.248   8.6330  5737.38  823.159  6076.47  2253.60  5685.18  884.258  117.860   24.354  117.601   9.3372 0.2591934 26.08294 
1 1 1   -3   23   13 o   75.064   9.5673  2344.07  569.864  775.746  2232.85  2453.35  589.382   64.367   26.501   76.802   9.6653 -12.43414 28.20808 
1 1 1   -3   23   14 o   53.707   12.945  1242.15  557.857  4344.57  2704.83  1104.32  570.115   97.292   30.660   50.700   13.578 46.59263 33.53167 
1 1 1   -3   23   15 o   72.698   11.370  2236.93  649.162 -356.7137  3006.78  2363.74  664.842   64.281   28.607   74.790   11.300 -10.50977 30.75760 
1 1 1   -3   23   16 o   92.102   12.321  3597.34  898.296  6236.44  3370.75  3395.59  932.001  110.568   34.127   89.134   13.283 21.43375 36.62124 
1 1 1   -3   23   17 o   82.675   21.040  3158.73  1415.92  279.766  3595.23  3687.25  1540.42   70.021   31.212   89.190   21.518 -19.16948 37.91077 
1 1 1   -3   23   18 o  137.033   17.893  8392.08  1943.35  7003.56  3958.28  8833.06  2230.70  108.607   37.236  138.821   20.398 -30.21472 42.45750 
1 1 1   -3   23   19 o  103.646   15.048  4771.77  1229.40 -5244.7222  4595.63  5543.84  1275.90   57.350   28.207  112.265   14.323 -54.91511 31.63562 
1 1 1   -3   23   20 o   65.316   18.008  2048.66  985.857   0.0000   0.0000  2048.66  985.857  ?   ?    65.316   18.008 0.000000 18.00790 
1 1 1   -3   23   21 o   49.025   18.246  1077.94  971.253   0.0000   0.0000  1077.94  971.253  ?   ?    49.025   18.246 0.000000 18.24632 
1 1 1   -3   23   22 o  100.060   29.057  7212.62  2500.40   0.0000   0.0000  7212.62  2500.40  ?   ?   100.060   29.057 0.000000 29.05698 
1 1 1   -3   25    1 o  259.045   16.843 27598.52  3523.43   0.0000   0.0000 27598.52  3523.43  ?   ?   259.045   16.843 0.000000 16.84296 
1 1 1   -3   25    2 o  137.792   12.385  7807.71  1370.90  6130.57  2418.35  8601.83  1664.10  119.434   25.699  144.381   14.386 -24.94719 29.45206 
1 1 1   -3   25    3 o  433.297   18.465 77077.96  6496.31 56522.61 11405.79 86947.98  7903.55  362.169   39.423  459.396   21.188 -97.22757 44.75609 
1 1 1   -3   25    4 o  678.874   27.892 192106.41 15374.97 181468.00 26747.21 197356.30 18789.46  637.956   52.090  683.903   33.836 -45.94653 62.11501 
1 1 1   -3   25    5 o  452.238   20.068 84243.40  7369.10 80110.66 12794.36 86294.95  9014.47  432.399   36.791  455.512   24.462 -23.11264 44.18127 
1 1 1   -3   25    6 o  161.236   14.503 10723.95  1878.37  8759.72  2949.47 12064.14  2436.30  142.873   26.397  170.435   17.871 -27.56215 31.87742 
1 1 1   -3   25    7 o  116.133   15.065  5617.12  1387.10  3242.22  2307.15  6961.52  1735.87   88.604   28.359  129.104   16.970 -40.49973 33.04845 
1 1 1   -3   25    8 o  150.573   14.355  9374.95  1733.80  7752.97  2761.44 10430.42  2227.60  133.892   26.339  158.203   17.642 -24.31065 31.70125 
1 1 1   -3   25    9 o  237.621   15.952 23340.60  3060.03 23024.68  4735.17 23567.14  4009.79  232.840   25.461  237.232   21.035 -4.392242 33.02614 
1 1 1   -3   25   10 o  199.018   10.063 16229.57  1620.85 17284.60  3749.32 15987.08  1797.49  201.504   23.348  197.292   11.267 4.212418 25.92473 
1 1 1   -3   25   11 o  244.087   14.145 24680.77  2791.33 15434.21  5748.41 27533.71  3193.04  180.069   40.320  257.404   15.347 -77.33533 43.14171 
1 1 1   -3   25   12 o  191.303   10.870 15095.43  1681.46 13591.08  4190.36 15384.14  1835.73  172.212   31.112  192.867   11.779 -20.65475 33.26747 
1 1 1   -3   25   13 o  144.934   10.212  8687.88  1194.06  7237.75  3756.23  8850.89  1259.39  121.421   35.716  146.167   10.685 -24.74646 37.28016 
1 1 1   -3   25   14 o  195.122   16.353 16213.62  2566.88 16926.34  4778.55 15924.56  3043.21  187.456   32.577  191.272   19.886 -3.815796 38.16687 
1 1 1   -3   25   15 o  140.354   15.272  8436.61  1712.37  9402.45  3647.51  8163.56  1939.37  136.262   33.259  136.750   17.895 -0.4881287 37.76783 
1 1 1   -3   25   16 o   28.163   12.580 -209.7117  587.234  2222.43  3554.80 -277.9449  595.414   79.425   33.132   27.659   12.484 51.76628 35.40593 
1 1 1   -3   25   17 o   31.270   13.857 -169.3694  698.353  5874.80  3995.30 -359.8560  709.272  100.332   37.073   29.674   13.486 70.65840 39.44995 
1 1 1   -3   25   18 o   79.662   14.926  2842.33  929.976  3853.93  4694.35  2801.01  948.780   84.939   36.822   78.857   15.370 6.081535 39.90145 
1 1 1   -3   25   19 o  155.328   13.375 10612.24  1670.45 10663.80  5263.68 10606.47  1761.51  110.016   42.134  154.546   14.196 -44.52990 44.46140 
1 1 1   -3   25   20 o   30.463   14.602 -1121.1040  1036.36   0.0000   0.0000 -1121.1040  1036.36  ?   ?    30.463   14.602 0.000000 14.60200 
1 1 1   -3   25   21 o   32.692   15.927 -1622.0260  1363.50   0.0000   0.0000 -1622.0260  1363.50  ?   ?    32.692   15.927 0.000000 15.92670 
1 1 1   -3   27    1 o  269.932   18.017 30088.21  3926.23   0.0000   0.0000 30088.21  3926.23  ?   ?   269.932   18.017 0.000000 18.01711 
1 1 1   -3   27    2 f  211.527   16.766 18481.45  2856.07   0.0000   0.0000 18481.45  2856.07  ?   ?   211.527   16.766 0.000000 16.76625 
1 1 1   -3   27    3 f  388.816   18.630 62261.64  5881.54 54008.39 10464.49 66072.73  7111.00  353.200   37.040  398.837   22.044 -45.63654 43.10328 
1 1 1   -3   27    4 o  467.487   20.900 90420.34  7933.29 88579.16 13965.55 91297.53  9639.65  451.400   38.470  466.973   25.520 -15.57330 46.16502 
1 1 1   -3   27    5 o  168.830   13.753 11750.04  1868.99  9142.43  3316.68 12963.36  2262.40  144.830   29.212  176.952   15.916 -32.12204 33.26647 
1 1 1   -3   27    6 o  301.061   16.304 37407.96  3970.76 35251.20  6953.65 38451.51  4836.92  286.550   30.348  304.118   19.694 -17.56805 36.17815 
1 1 1   -3   27    7 o  344.241   20.367 49445.95  5667.46 51496.00  8502.09 47806.54  7603.05  345.589   30.616  334.334   28.272 11.25470 41.67307 
1 1 1   -3   27    8 f  241.382   17.026 24247.65  3315.69 24704.88  5227.61 23939.91  4288.74  239.148   27.417  237.706   22.488 1.442505 35.45932 
1 1 1   -3   27    9 o  192.817   15.091 15476.89  2343.78 19364.53  3858.79 13204.23  2950.36  212.704   22.693  175.914   21.075 36.78955 30.96995 
1 1 1   -3   27   10 o   96.298   9.1310  3830.76  705.422  5027.40  3214.64  3770.22  723.045  104.892   33.464   95.468   9.4518 9.423683 34.77338 
1 1 1   -3   27   11 o  159.572   16.358 10783.83  2089.55 13803.80  4084.56  9713.33  2431.86  173.058   30.165  149.592   20.565 23.46567 36.50792 
1 1 1   -3   27   12 o   47.215   18.547  608.258  1039.70  1793.90  3092.17  457.129  1103.98   77.443   31.453   46.444   18.818 30.99883 36.65212 
1 1 1   -3   27   13 o  151.910   16.807  9923.92  2038.29 11879.68  4257.45  9342.33  2321.66  153.566   34.932  145.597   20.181 7.969391 40.34251 
1 1 1   -3   27   14 o  126.806   10.265  6707.56  1047.82  7533.11  4055.66  6648.51  1084.65  117.707   37.591  126.101   10.694 -8.394569 39.08288 
1 1 1   -3   27   15 o  104.475   11.220  4611.36  936.857 -135.4826  4461.97  4830.27  958.217   73.501   33.568  106.960   11.199 -33.45850 35.38663 
1 1 1   -3   27   16 o  109.617   11.900  5127.14  1042.17  2214.14  4861.90  5267.43  1066.97   81.746   36.378  111.066   12.023 -29.31973 38.31333 
1 1 1   -3   27   17 o   75.097   15.081  2541.60  887.653  5355.70  5007.73  2450.31  901.935   91.126   38.739   73.468   15.602 17.65791 41.76301 
1 1 1   -3   27   18 o  146.815   12.783  9433.73  1508.59 14915.19  6214.08  9090.44  1555.11  122.650   46.053  143.510   13.505 -20.85941 47.99232 
1 1 1   -3   27   19 o   70.465   19.728  2555.29  1173.48   0.0000   0.0000  2555.29  1173.48  ?   ?    70.465   19.728 0.000000 19.72807 
1 1 1   -3   27   20 o  118.748   25.967  8692.70  2433.96   0.0000   0.0000  8692.70  2433.96  ?   ?   118.748   25.967 0.000000 25.96690 
1 1 1   -3   29    1 o   35.687   17.302 -2567.8030  1557.39   0.0000   0.0000 -2567.8030  1557.39  ?   ?    35.687   17.302 0.000000 17.30177 
1 1 1   -3   29    2 o  355.432   21.916 52895.39  6294.00   0.0000   0.0000 52895.39  6294.00  ?   ?   355.432   21.916 0.000000 21.91568 
1 1 1   -3   29    3 o  199.152   18.032 16547.11  2884.22   0.0000   0.0000 16547.11  2884.22  ?   ?   199.152   18.032 0.000000 18.03189 
1 1 1   -3   29    4 f  460.429   26.486 90320.66  9860.09   0.0000   0.0000 90320.66  9860.09  ?   ?   460.429   26.486 0.000000 26.48590 
1 1 1   -3   29    5 o  394.460   19.592 64961.98  6275.13 65564.38 11220.04 64687.79  7569.70  382.159   36.607  390.306   24.002 -8.146637 43.77358 
1 1 1   -3   29    6 o  208.338   15.796 18087.21  2652.14 20170.11  5027.87 17284.22  3121.78  213.474   29.821  202.387   19.228 11.08698 35.48248 
1 1 1   -3   29    7 o  141.904   17.444  8529.14  1967.59  7275.60  3399.77  9160.46  2412.71  125.152   32.989  145.850   20.977 -20.69789 39.09352 
1 1 1   -3   29    8 o   84.132   19.850  3112.11  1334.09  8441.26  2574.85  1156.51  1559.78  138.298   23.787   60.095   22.955 78.20222 33.05711 
1 1 1   -3   29    9 o  258.636   18.945 28531.54  3950.93 31460.49  6684.64 26959.02  4898.02  260.358   32.315  247.269   24.727 13.08871 40.69052 
1 1 1   -3   29   10 o  130.922   17.979  7399.25  1860.83  9781.47  3728.24  6608.90  2147.45  142.182   32.940  121.596   22.582 20.58614 39.93696 
1 1 1   -3   29   11 f  115.899   9.5413  5571.32  889.918  6342.20  4208.18  5535.24  910.510  111.304   38.380  115.453   9.8055 -4.148064 39.61321 
1 1 1   -3   29   12 o  203.123   11.376 17212.53  1868.69 21381.91  5682.23 16706.92  1978.76  205.277   35.368  199.676   12.264 5.600662 37.43381 
1 1 1   -3   29   13 o   87.313   10.451  3210.76  726.207  6471.75  4378.62  3118.52  736.405  107.775   38.967   85.931   10.792 21.84336 40.43435 
1 1 1   -3   29   14 f  113.742   10.632  5447.40  970.527 15334.01  4861.90  5037.09  990.461  165.715   37.062  109.067   11.350 56.64812 38.76096 
1 1 1   -3   29   15 o   21.792   10.342 -571.7686  493.485  6271.40  4515.03 -654.5063  496.459   99.699   38.796   21.213   10.152 78.48605 40.10197 
1 1 1   -3   29   16 o   82.711   12.750  2999.24  828.753 -4514.7061  4412.88  3273.95  843.767   56.927   27.927   86.676   12.337 -29.74950 30.53027 
1 1 1   -3   29   17 o   67.333   15.884  2123.04  854.378 -348.9149  6079.40  2172.85  862.942   69.490   33.803   68.132   15.891 1.357903 37.35218 
1 1 1   -3   29   18 o   70.762   18.903  2550.32  1106.68   0.0000   0.0000  2550.32  1106.68  ?   ?    70.762   18.903 0.000000 18.90282 
1 1 1   -3   29   19 o   44.232   20.035  225.528  1549.00   0.0000   0.0000  225.528  1549.00  ?   ?    44.232   20.035 0.000000 20.03497 
1 1 1   -3   31    1 o  377.627   23.889 61226.65  7287.00   0.0000   0.0000 61226.65  7287.00  ?   ?   377.627   23.889 0.000000 23.88863 
1 1 1   -3   31    2 o  224.084   19.686 21299.39  3545.49   0.0000   0.0000 21299.39  3545.49  ?   ?   224.084   19.686 0.000000 19.68575 
1 1 1   -3   31    4 o  126.915   38.782  7825.03  4365.35  7825.03  4365.35   0.0000   0.0000  126.915   38.782  ?   ?  0.000000 38.78168 
1 1 1   -3   31    5 o  193.381   37.509 18044.71  5677.04 18044.71  5677.04   0.0000   0.0000  193.381   37.509  ?   ?  0.000000 37.50854 
1 1 1   -3   31    6 o   84.916   36.112  1446.32  4354.08   0.0000   0.0000  1446.32  4354.08  ?   ?    84.916   36.112 0.000000 36.11176 
1 1 1   -3   31    7 o  117.356   42.354  6919.27  5169.24   0.0000   0.0000  6919.27  5169.24  ?   ?   117.356   42.354 0.000000 42.35376 
1 1 1   -3   31    8 o   99.177   23.664  4489.22  1879.04   0.0000   0.0000  4489.22  1879.04  ?   ?    99.177   23.664 0.000000 23.66388 
1 1 1   -3   31    9 o   58.131   21.570  1239.09  1355.24   0.0000   0.0000  1239.09  1355.24  ?   ?    58.131   21.570 0.000000 21.56967 
1 1 1   -3   31   10 o   65.200   23.759  1704.19  1632.32   0.0000   0.0000  1704.19  1632.32  ?   ?    65.200   23.759 0.000000 23.75874 
1 1 1   -3   31   11 o  118.900   10.150  5906.47  970.518   0.0000   0.0000  5906.47  970.518  ?   ?   118.900   10.150 0.000000 10.14994 
1 1 1   -3   31   12 o  138.689   10.732  8074.05  1199.11   0.0000   0.0000  8074.05  1199.11  ?   ?   138.689   10.732 0.000000 10.73184 
1 1 1   -3   31   13 o   94.573   10.531  3787.46  794.963  4266.08  5082.43  3775.46  804.870   90.763   38.817   94.362   10.694 -3.598404 40.26260 
1 1 1   -3   31   14 o   21.418   10.106 -484.3128  458.665 -2689.5430  4820.25 -464.1637  460.756   64.386   31.024   21.667   10.195 42.71900 32.65596 
1 1 1   -3   31   15 o   49.107   14.669  1087.87  629.724  1045.66  4375.34  1088.76  636.350   70.182   32.480   49.131   14.761 21.05112 35.67741 
1 1 1   -3   31   16 o   48.927   15.834  1099.23  717.779   0.0000   0.0000  1099.23  717.779  ?   ?    48.927   15.834 0.000000 15.83431 
1 1 1   -3   31   17 o   70.710   16.185  2436.26  909.152   0.0000   0.0000  2436.26  909.152  ?   ?    70.710   16.185 0.000000 16.18471 
1 1 1   -3   31   18 o   62.152   25.420  2606.87  2037.58   0.0000   0.0000  2606.87  2037.58  ?   ?    62.152   25.420 0.000000 25.41977 
1 1 1   -3   33    1 o   41.091   19.569 -2087.9141  1797.88   0.0000   0.0000 -2087.9141  1797.88  ?   ?    41.091   19.569 0.000000 19.56873 
1 1 1   -3   33    2 o   56.957   23.065  766.804  1657.54   0.0000   0.0000  766.804  1657.54  ?   ?    56.957   23.065 0.000000 23.06462 
1 1 1   -3   33    3 o  215.417   21.732 20303.60  3749.28   0.0000   0.0000 20303.60  3749.28  ?   ?   215.417   21.732 0.000000 21.73238 
1 1 1   -3   33    4 o  179.911   22.573 14332.15  3224.91   0.0000   0.0000 14332.15  3224.91  ?   ?   179.911   22.573 0.000000 22.57294 
1 1 1   -3   33    5 f   66.477   24.351  1719.78  1717.97 -1189.2860  4316.17  2267.43  1872.71   71.942   32.916   73.168   25.582 -1.226440 41.68835 
1 1 1   -3   33    6 o  181.147   19.984 14378.36  2890.40 14729.08  6173.01 14279.87  3271.15  160.017   45.406  178.378   23.129 -18.36177 50.95744 
1 1 1   -3   33    7 o   88.331   25.395  3661.27  1918.51  412.652  4771.59  4287.71  2095.33   79.819   35.741   95.085   26.269 -15.26627 44.35590 
1 1 1   -3   33    8 o   93.984   22.535  4093.52  1697.39  6576.10  4334.32  3643.81  1844.73  109.761   38.873   87.862   24.783 21.89910 46.10135 
1 1 1   -3   33    9 o   86.447   25.737  3590.31  1940.99  7388.04  5356.14  3016.18  2082.55  111.399   42.541   80.058   27.011 31.34152 50.39182 
1 1 1   -3   33   10 o  100.113   42.047  5651.79  5784.33  5651.79  5784.33   0.0000   0.0000  100.113   42.047  ?   ?  0.000000 42.04743 
1 1 1   -3   33   11 o  109.727   11.367  5115.75  998.077  5912.25  5945.80  5092.65  1012.44   98.265   42.003  109.388   11.575 -11.12347 43.56900 
1 1 1   -3   33   12 o   55.472   13.019  1367.07  576.322  3730.22  5769.50  1343.25  579.219   86.663   39.013   54.949   13.156 31.71338 41.17180 
1 1 1   -3   33   13 o   48.598   13.216  1057.96  535.287  1048.59  5059.27  1058.06  538.308   73.348   34.276   48.595   13.269 24.75282 36.75512 
1 1 1   -3   33   14 o   34.926   13.169  429.650  509.128   28.763  5345.56  433.320  511.453   68.213   32.818   35.031   13.201 33.18219 35.37331 
1 1 1   -3   33   15 o   25.882   11.806 -262.6432  549.802   0.0000   0.0000 -262.6432  549.802  ?   ?    25.882   11.806 0.000000 11.80568 
1 1 1   -3   33   16 o   38.477   15.244  533.352  707.923   0.0000   0.0000  533.352  707.923  ?   ?    38.477   15.244 0.000000 15.24379 
1 1 1   -3   35    1 o  231.048   24.273 24266.69  4485.56   0.0000   0.0000 24266.69  4485.56  ?   ?   231.048   24.273 0.000000 24.27266 
1 1 1   -3   35    2 o  109.969   28.188  5858.44  2528.58   0.0000   0.0000  5858.44  2528.58  ?   ?   109.969   28.188 0.000000 28.18760 
1 1 1   -3   35    3 o   55.547   23.861  287.322  1935.88   0.0000   0.0000  287.322  1935.88  ?   ?    55.547   23.861 0.000000 23.86126 
1 1 1   -3   35    4 o   65.923   26.308  1432.02  2122.62   0.0000   0.0000  1432.02  2122.62  ?   ?    65.923   26.308 0.000000 26.30767 
1 1 1   -3   35    5 o   96.176   27.940  4544.54  2311.41  2402.44  5426.03  5019.43  2554.80   88.675   38.990  100.228   29.448 -11.55289 48.86133 
1 1 1   -3   35    6 o  188.838   22.681 16353.20  3408.10 25055.58  7847.19 14330.13  3783.56  196.062   49.333  171.648   28.121 24.41397 56.78538 
1 1 1   -3   35    7 f  106.910   27.265  5692.24  2374.14  9990.18  6449.91  5018.65  2553.42  119.455   46.401   98.884   29.538 20.57088 55.00494 
1 1 1   -3   35    8 o  102.774   26.390  5281.76  2213.60  2086.60  6657.27  5678.94  2347.15   87.337   40.295  106.101   27.137 -18.76372 48.58060 
1 1 1   -3   35    9 o  148.667   24.351 10720.64  2837.67 12533.17  7796.27 10443.85  3046.65  118.130   49.154  144.047   27.042 -25.91650 56.10121 
1 1 1   -3   35   10 o   62.926   24.702  1630.41  1843.14  6426.71  7242.84  1298.30  1905.88   94.471   42.998   60.455   24.639 34.01619 49.55693 
1 1 1   -3   35   11 o   24.835   10.242   95.201  334.238 -3874.5320  7241.44  103.677  334.595   70.012   34.618   25.010   10.273 45.00206 36.11032 
1 1 1   -3   35   12 o   92.387   11.185  3708.45  821.940  6928.33  8123.10  3675.14  826.181   85.052   40.798   91.900   11.311 -6.848114 42.33680 
1 1 1   -3   35   13 o   19.872   9.2643 -306.1303  366.091 -13460.2695  6597.50 -265.5027  366.656   52.402   26.743   20.351   9.4130 32.05101 28.35095 
1 1 1   -3   35   14 o   26.623   11.488   27.503  452.696   0.0000   0.0000   27.503  452.696  ?   ?    26.623   11.488 0.000000 11.48811 
1 1 1   -3   35   15 o   58.427   25.315  2125.96  2216.19   0.0000   0.0000  2125.96  2216.19  ?   ?    58.427   25.315 0.000000 25.31474 
1 1 1   -3   37    1 o  123.859   32.767  8241.83  3346.27   0.0000   0.0000  8241.83  3346.27  ?   ?   123.859   32.767 0.000000 32.76691 
1 1 1   -3   37    2 o  153.304   30.018 11990.47  3602.90   0.0000   0.0000 11990.47  3602.90  ?   ?   153.304   30.018 0.000000 30.01833 
1 1 1   -3   37    3 o  170.455   30.323 14897.83  4043.06   0.0000   0.0000 14897.83  4043.06  ?   ?   170.455   30.323 0.000000 30.32336 
1 1 1   -3   37    4 o   68.206   28.176  1614.87  2535.18   0.0000   0.0000  1614.87  2535.18  ?   ?    68.206   28.176 0.000000 28.17565 
1 1 1   -3   37    5 o   76.520   28.106  2844.88  2290.82   0.0000   0.0000  2844.88  2290.82  ?   ?    76.520   28.106 0.000000 28.10607 
1 1 1   -3   37    6 o  111.535   31.409  6928.49  2965.42  8862.25  8803.86  6681.01  3149.47  102.031   46.803  107.730   32.944 -5.698753 57.23544 
1 1 1   -3   37    7 o  187.216   27.461 18073.60  4050.41 25720.64 10403.25 16707.29  4397.40  139.421   57.278  172.888   32.519 -33.46710 65.86506 
1 1 1   -3   37    8 o  146.727   29.988 11902.87  3452.08 10659.09  9812.68 12078.55  3687.82   97.140   46.104  144.684   32.219 -47.54429 56.24597 
1 1 1   -3   37    9 f  125.757   30.072  9138.84  3029.17  1228.52  9714.08  9990.90  3188.15   78.961   39.226  131.168   30.510 -52.20678 49.69423 
1 1 1   -3   37   10 o   69.575   28.101  2662.04  2453.64 -846.5762  7675.58  3061.38  2589.52   70.314   34.919   72.519   29.017 -2.205238 45.40182 
1 1 1   -3   37   11 o   24.887   10.332   96.517  343.341  7575.54 10097.42   87.860  343.540   76.518   38.317   24.734   10.307 51.78416 39.67865 
1 1 1   -3   37   12 o   43.770   12.173  884.350  448.354   0.0000   0.0000  884.350  448.354  ?   ?    43.770   12.173 0.000000 12.17319 
1 1 1   -3   37   13 o   36.699   12.866  591.976  473.843   0.0000   0.0000  591.976  473.843  ?   ?    36.699   12.866 0.000000 12.86615 
1 1 1   -3   39    1 o  132.297   37.601 11373.65  4229.72   0.0000   0.0000 11373.65  4229.72  ?   ?   132.297   37.601 0.000000 37.60116 
1 1 1   -3   39    2 o   92.699   33.063  5265.25  3140.91   0.0000   0.0000  5265.25  3140.91  ?   ?    92.699   33.063 0.000000 33.06350 
1 1 1   -3   39    3 o  128.688   36.120 10636.72  3928.55   0.0000   0.0000 10636.72  3928.55  ?   ?   128.688   36.120 0.000000 36.12031 
1 1 1   -3   39    4 f   98.517   36.006  6723.41  3752.92   0.0000   0.0000  6723.41  3752.92  ?   ?    98.517   36.006 0.000000 36.00601 
1 1 1   -3   39    5 o  122.184   36.298 10168.62  3863.85   0.0000   0.0000 10168.62  3863.85  ?   ?   122.184   36.298 0.000000 36.29820 
1 1 1   -3   39    6 o   73.595   29.611  3116.21  2713.15   0.0000   0.0000  3116.21  2713.15  ?   ?    73.595   29.611 0.000000 29.61146 
1 1 1   -3   39    7 o   51.574   24.267 -693.2515  2610.90  3714.73 11158.19 -948.5729  2685.45   76.427   38.536   51.187   24.243 25.24044 45.52755 
1 1 1   -3   39    8 o   58.649   26.290  1161.17  2589.44 17346.54 11296.47  263.558  2660.27   84.894   42.195   54.799   25.349 30.09586 49.22367 
1 1 1   -3   39    9 o   75.275   31.553  4548.67  3246.75  9115.58 12559.48  4221.62  3361.00   71.978   36.747   73.044   31.411 -1.066475 48.34206 
1 1 1   -3   39   10 o   93.734   36.155  9260.98  3894.57   0.0000   0.0000  9260.98  3894.57  ?   ?    93.734   36.155 0.000000 36.15495 
1 1 1   -3   41    1 o   52.483   25.581 -2141.8220  3529.55   0.0000   0.0000 -2141.8220  3529.55  ?   ?    52.483   25.581 0.000000 25.58051 
1 1 1   -3   41    2 o   77.527   34.421  5058.50  4328.57   0.0000   0.0000  5058.50  4328.57  ?   ?    77.527   34.421 0.000000 34.42073 
1 1 1   -3   41    3 o   62.359   29.219  1264.23  3718.50   0.0000   0.0000  1264.23  3718.50  ?   ?    62.359   29.219 0.000000 29.21904 
1 1 1   -3   41    4 o   37.387   18.911 -6678.4751  2814.70   0.0000   0.0000 -6678.4751  2814.70  ?   ?    37.387   18.911 0.000000 18.91149 
1 1 1   -3   41    5 o   66.302   30.619  2981.52  3857.90   0.0000   0.0000  2981.52  3857.90  ?   ?    66.302   30.619 0.000000 30.61935 
1 1 1   -3   41    6 o   61.785   28.293  2288.08  3197.89   0.0000   0.0000  2288.08  3197.89  ?   ?    61.785   28.293 0.000000 28.29259 
1 1 1   -2    0    1 o  146.587   8.8446  8825.57  1043.94  8239.76  1477.67  9409.28  1475.03  140.505   13.221  150.650   12.245 0.000000 0.000000 
1 1 1   -2    0    3 o  261.367   13.588 28008.65  2865.93 26239.43  4052.65 29778.54  4053.42  251.342   20.156  268.411   18.811 0.000000 0.000000 
1 1 1   -2    0    5 o  198.607   10.918 16171.99  1748.54 14857.64  2470.31 17491.66  2475.31  189.030   16.377  205.785   14.997 0.000000 0.000000 
1 1 1   -2    0    6 o  745.491   36.115 228676.20 21744.06 219721.70 30748.54 237633.20 30752.96  725.023   52.878  755.282   50.670 0.000000 0.000000 
1 1 1   -2    0    7 o  280.833   14.480 32299.25  3281.73 31104.05  4640.21 33495.33  4641.91  274.145   21.135  284.863   20.306 0.000000 0.000000 
1 1 1   -2    0    8 o  545.837   26.629 122096.00 11737.78 129768.90 16600.39 114424.30 16599.07  560.558   36.837  525.208   39.435 0.000000 0.000000 
1 1 1   -2    0    9 o  1048.32   50.568 452633.41 42815.18 468459.31 60552.50 436810.31 60547.11  1059.36   71.133  1021.32   73.901 0.000000 0.000000 
1 1 1   -2    0   10 o  209.123   11.587 17925.41  1953.65 19382.08  2777.99 16500.01  2748.01  216.655   15.992  199.287   17.281 0.000000 0.000000 
1 1 1   -2    0   11 o  197.705   11.268 16032.29  1795.33 17474.22  2574.21 14666.67  2505.16  205.586   15.629  187.743   16.740 0.000000 0.000000 
1 1 1   -2    0   12 f  510.634   36.242 108471.30 14852.61 108471.30 14852.61   0.0000   0.0000  510.634   36.242  510.634   36.242 0.000000 0.000000 
1 1 1   -2    0   13 o   30.257   14.863  547.780  434.775  2179.23  709.330 -433.9822  550.256   69.214   14.298   17.084   11.795 0.000000 0.000000 
1 1 1   -2    0   14 o  163.502   10.335 10995.93  1359.55 11761.66  1934.99 10249.36  1910.62  168.185   14.413  156.457   15.381 0.000000 0.000000 
1 1 1   -2    0   15 o  669.497   32.850 185939.20 17759.70 191508.41 25146.29 180396.70 25085.83  672.403   46.571  651.470   48.024 0.000000 0.000000 
1 1 1   -2    0   16 o  1302.85   69.418 748458.88 72959.48 560851.62 103220.40 935774.69 103140.20  1034.14  128.232  1420.34   90.269 0.000000 0.000000 
1 1 1   -2    0   17 f  130.459   10.268  7051.17  1072.21  6789.81  1631.72  7249.77  1422.40  125.761   16.824  131.309   13.681 0.000000 0.000000 
1 1 1   -2    0   18 o   78.094   12.159  2657.32  715.320  2188.92  1063.04  3044.91  966.996   63.758   22.574   81.933   16.381 0.000000 0.000000 
1 1 1   -2    0   19 o  192.077   12.544 15256.61  1937.25 19477.07  3073.36 12474.21  2495.42  215.602   17.837  171.336   18.482 0.000000 0.000000 
1 1 1   -2    0   20 f  172.415   12.277 12350.56  1698.74 16239.77  2819.50 10134.24  2128.42  195.843   18.085  153.813   17.644 0.000000 0.000000 
1 1 1   -2    0   21 o   14.150   9.9753 -531.1625  455.102 -578.4650  1462.05 -526.0875  478.894   30.394   20.493   14.737   10.357 0.000000 0.000000 
1 1 1   -2    0   22 o   22.558   14.835 -104.3151  688.480  1039.90  1531.30 -394.2167  770.779   43.805   25.662   21.505   14.608 0.000000 0.000000 
1 1 1   -2    0   23 o  104.100   15.451  4791.73  1221.41  7636.89  2418.47  3817.58  1415.14  125.341   27.094   87.205   23.132 0.000000 0.000000 
1 1 1   -2    0   24 o   44.146   21.495  1243.22  905.951  6141.44  2409.84  437.015  977.668  104.954   32.325   32.119   19.651 0.000000 0.000000 
1 1 1   -2    0   25 o   71.650   21.246  2718.76  1075.25   0.0000   0.0000  2718.76  1075.25   71.650   21.246   71.650   21.246 0.000000 0.000000 
1 1 1   -2    0   26 o   56.697   24.585  2122.37  1169.05   0.0000   0.0000  2122.37  1169.05   56.697   24.585   56.697   24.585 0.000000 0.000000 
1 1 1   -2    2    2 o  599.072   42.464 151761.30 20521.55 151761.30 20521.55   0.0000   0.0000  599.072   42.464  ?   ?  0.000000 42.46350 
1 1 1   -2    2    4 o  588.371   20.111 141533.70  9607.80 144487.50 13588.00 138580.41 13586.95  592.466   28.246  580.058   28.848 12.40851 40.37348 
1 1 1   -2    2    5 o  775.807   26.320 246677.91 16579.96 251971.50 23445.97 241382.80 23449.23  780.505   36.996  763.612   37.820 16.89313 52.90581 
1 1 1   -2    2    6 o  916.533   31.005 344238.50 23074.05 339995.00 32628.62 348483.59 32634.64  906.479   44.330  917.937   43.785 -11.45746 62.30843 
1 1 1   -2    2    7 o  1051.53   35.515 453252.91 30322.68 448100.50 42879.28 458407.00 42886.21  1040.34   50.761  1052.47   50.184 -12.12683 71.38057 
1 1 1   -2    2    8 f  937.311   36.467 359806.69 27753.96 324142.19 48062.07 377649.31 33994.77  877.877   67.956  958.460   43.682 -80.58282 80.78428 
1 1 1   -2    2    9 o  656.872   22.201 175703.80 11840.88 175925.09 16741.45 175482.30 16749.62  656.295   31.416  655.462   31.472 0.8334351 44.46852 
1 1 1   -2    2   10 o  733.980   24.734 219647.80 14740.92 225417.00 20842.92 213874.30 20850.71  742.051   34.593  722.638   35.535 19.41351 49.59268 
1 1 1   -2    2   11 o  655.688   22.126 175419.00 11779.97 173450.50 16655.10 177389.59 16663.70  650.325   31.541  657.739   31.202 -7.414063 44.36664 
1 1 1   -2    2   12 o  810.246   39.518 273286.50 25998.91 269817.50 36767.82 276755.50 36768.20  792.458   57.534  803.224   56.741 -10.76605 80.80685 
1 1 1   -2    2   13 o  296.671   10.774 35821.68  2595.33 36520.32  3663.76 35118.00  3676.98  298.807   15.150  292.947   15.514 5.860687 21.68416 
1 1 1   -2    2   14 o  504.182   17.405 103985.20  7125.13 102126.00 10070.71 105848.70 10082.22  497.057   25.033  506.807   24.500 -9.750305 35.02738 
1 1 1   -2    2   15 f  155.295   7.1638  9805.89  903.315 10041.89  1264.40  9559.86  1290.98  156.725   9.9879  152.848   10.465 3.877106 14.46641 
1 1 1   -2    2   16 o  239.989   9.2986 23455.00  1811.95 23427.19  2557.64 23483.01  2567.36  239.111   13.225  239.390   13.260 -0.2794800 18.72762 
1 1 1   -2    2   17 o  148.354   7.3378  8956.17  883.900  9076.13  1243.94  8833.82  1256.20  148.816   10.359  146.773   10.612 2.043137 14.83021 
1 1 1   -2    2   18 o  287.822   10.803 33856.37  2524.71 32150.95  3562.73 35576.69  3578.26  279.005   15.791  293.760   15.052 -14.75491 21.81598 
1 1 1   -2    2   19 o  222.580   9.2674 20262.92  1674.87 20370.18  2376.18 20157.01  2361.14  221.938   13.246  220.775   13.232 1.163391 18.72330 
1 1 1   -2    2   20 o  185.451   8.5795 14094.80  1291.89 14074.89  1802.97 14115.81  1852.05  184.083   12.130  184.240   12.453 -0.1571045 17.38487 
1 1 1   -2    2   21 o  188.970   8.8393 14691.13  1356.28 13306.08  1908.77 16103.50  1927.49  177.912   13.310  196.352   12.149 -18.43983 18.02102 
1 1 1   -2    2   22 o   96.191   9.4117  3864.21  725.670  2780.33  999.929  5070.24  1054.77   79.270   16.085  109.405   12.075 -30.13486 20.11301 
1 1 1   -2    2   23 o  142.946   8.9516  8516.97  1033.76  8473.60  1420.98  8565.72  1506.68  140.840   12.558  141.189   13.299 -0.3493347 18.29108 
1 1 1   -2    2   24 o  127.535   9.3866  6857.60  965.187  8060.02  1341.54  5567.31  1389.69  136.618   12.223  111.121   15.851 25.49644 20.01668 
1 1 1   -2    2   25 o  114.598   10.926  5708.39  1004.39  5862.29  1375.39  5532.54  1470.18  112.633   15.446  107.699   17.406 4.934151 23.27093 
1 1 1   -2    2   26 o   50.664   15.502  1269.01  697.200  982.392  869.813  1784.07  1166.03   45.963   17.236   57.144   20.171 -11.18036 26.53140 
1 1 1   -2    4    1 o  270.051   14.222 29808.75  3107.51 29152.01  4398.09 30463.45  4391.27  266.077   20.516  272.121   20.015 -6.043610 28.66141 
1 1 1   -2    4    3 o  359.780   14.317 52747.52  4182.36 54415.80  7283.10 51926.67  5108.69  363.251   24.842  356.626   17.642 6.624451 30.46925 
1 1 1   -2    4    4 o  597.648   19.997 145899.91  9703.83 143692.50 13722.67 148107.59 13723.91  591.232   28.585  600.358   28.153 -9.125793 40.12137 
1 1 1   -2    4    5 o  385.836   13.337 60564.23  4178.27 58933.54  5904.75 62199.57  5913.17  379.702   19.215  390.623   18.643 -10.92154 26.77285 
1 1 1   -2    4    6 o  298.986   10.546 36327.22  2560.15 36822.30  3618.86 35831.19  3622.35  300.874   14.813  296.403   15.101 4.470734 21.15363 
1 1 1   -2    4    7 o  561.218   19.111 128208.60  8708.54 129201.60 12314.36 127215.20 12317.10  562.655   26.955  558.289   27.171 4.365540 38.27304 
1 1 1   -2    4    8 o  851.486   40.823 297459.09 28224.11 299621.81 39911.98 295295.81 39917.88  848.109   58.312  841.770   58.772 6.339172 82.79169 
1 1 1   -2    4    9 f  1220.94   40.877 611458.50 40523.82 598636.62 57307.34 624282.19 57311.33  1201.53   58.741  1227.53   57.500 -26.00378 82.19927 
1 1 1   -2    4   10 o  585.800   19.829 139725.50  9431.44 138006.91 13335.48 141445.59 13340.66  581.313   28.253  588.552   27.916 -7.238831 39.71804 
1 1 1   -2    4   11 o  829.301   27.790 281662.00 18712.51 289887.41 26460.15 273432.41 26466.82  837.835   38.895  813.283   40.079 24.55139 55.84974 
1 1 1   -2    4   12 o  348.353   17.669 49660.50  4981.36 53126.56  7052.85 46210.40  7036.60  359.088   24.333  334.403   26.123 24.68460 35.69994 
1 1 1   -2    4   13 o  508.627   17.654 105752.20  7290.73 109923.20 10306.70 101574.90 10314.59  516.910   24.557  495.949   25.702 20.96027 35.54744 
1 1 1   -2    4   14 o  489.718   16.940 98083.97  6736.10 98854.43  9521.90 97312.09  9530.67  489.850   23.940  485.950   24.154 3.899902 34.00801 
1 1 1   -2    4   15 o  296.471   10.839 35812.17  2609.12 34133.62  3679.84 37509.10  3699.94  288.442   15.772  302.911   15.043 -14.46915 21.79559 
1 1 1   -2    4   16 o  269.123   9.9502 29511.41  2174.31 29697.39  3073.93 29325.19  3075.95  269.113   14.117  267.397   14.218 1.716064 20.03610 
1 1 1   -2    4   17 o   75.282   7.8583  2332.12  473.268  2280.29  652.481  2389.66  687.496   73.913   11.225   75.642   11.561 -1.729561 16.11353 
1 1 1   -2    4   18 o  140.794   7.5574  8098.27  860.803  9407.14  1202.77  6723.91  1232.50  151.470   9.8327  127.590   12.039 23.88048 15.54423 
1 1 1   -2    4   19 o   80.567   8.2369  2678.74  531.261  2261.57  721.478  3172.84  785.193   73.111   12.609   87.182   11.362 -14.07105 16.97294 
1 1 1   -2    4   20 o  193.538   8.6165 15357.62  1354.06 15644.56  1904.00 15063.99  1926.04  194.044   12.146  190.253   12.538 3.791138 17.45639 
1 1 1   -2    4   21 f  126.197   8.2356  6569.39  839.255  6236.55  1156.22  6940.04  1220.13  121.921   11.828  128.676   11.810 -6.754662 16.71467 
1 1 1   -2    4   22 o  165.857   8.9289 11400.91  1198.03 10480.17  1661.49 12398.08  1729.07  157.135   13.143  171.327   12.516 -14.19171 18.14901 
1 1 1   -2    4   23 o   39.503   13.777  614.369  542.974  899.291  660.959   23.007  952.221   46.107   15.210   38.401   16.616 7.705776 22.52621 
1 1 1   -2    4   24 o  127.927   9.4166  6907.63  971.241  6569.50  1326.87  7297.91  1425.52  122.272   13.595  128.748   13.854 -6.476616 19.41041 
1 1 1   -2    4   25 o   52.386   14.270  1280.48  623.466  1523.80  784.093  862.154  1028.11   56.373   16.243   46.980   18.447 9.393311 24.57904 
1 1 1   -2    4   26 o  136.444   11.123  8327.96  1221.53  7307.61  1627.45  9644.43  1848.60  120.681   17.086  139.353   16.668 -18.67198 23.86975 
1 1 1   -2    6    1 o  518.065   25.438 110238.40 10700.52 112073.90 15138.25 108405.60 15127.41  518.122   36.211  509.296   36.829 8.826569 51.64942 
1 1 1   -2    6    2 o  725.313   51.774 224264.59 30290.87 224264.59 30290.87   0.0000   0.0000  725.313   51.774  ?   ?  0.000000 51.77391 
1 1 1   -2    6    3 o  176.125   10.277 12656.37  1463.26 12759.14  2087.00 12557.01  2052.17  176.386   14.706  174.990   14.576 1.396393 20.70562 
1 1 1   -2    6    4 f  262.320   11.271 27979.07  2400.71 23865.56  4215.28 29953.88  2920.67  240.801   21.795  271.341   13.257 -30.53979 25.51019 
1 1 1   -2    6    5 o  220.329   8.3309 19721.21  1490.40 20850.01  2107.89 18592.73  2107.59  226.188   11.515  213.505   12.208 12.68224 16.78214 
1 1 1   -2    6    6 o  545.214   17.944 120980.30  7943.52 123672.70 11231.16 118285.20 11236.52  550.596   25.122  538.409   25.703 12.18689 35.94088 
1 1 1   -2    6    7 o  427.886   14.428 74433.25  5012.82 80167.54  7086.40 68689.89  7092.00  443.798   19.665  410.155   21.369 33.64352 29.04082 
1 1 1   -2    6    8 o  302.524   12.099 37189.04  2971.98 38847.50  3640.58 33875.74  5145.74  309.135   14.504  287.578   22.209 21.55695 26.52560 
1 1 1   -2    6    9 o  365.790   12.985 54381.04  3856.63 55331.43  5452.08 53429.23  5456.10  368.777   18.208  361.888   18.631 6.889282 26.05110 
1 1 1   -2    6   10 o  820.646   27.529 275174.41 18343.83 274646.00 25939.20 275703.00 25945.00  817.204   39.092  818.793   39.025 -1.588989 55.23693 
1 1 1   -2    6   11 o  420.178   14.312 71872.79  4882.90 67549.29  6899.22 76211.99  6911.73  406.172   20.991  432.147   19.698 -25.97565 28.78601 
1 1 1   -2    6   12 o  189.191   8.9732 14554.10  1378.44 15087.13  2414.28 14296.30  1679.01  191.691   15.648  187.104   11.101 4.587265 19.18576 
1 1 1   -2    6   13 o  508.957   17.596 105915.10  7271.62 105500.40 10278.36 106330.60 10288.88  506.134   25.010  508.143   24.937 -2.008789 35.31812 
1 1 1   -2    6   14 o  313.638   11.468 40077.43  2920.37 40774.64  4123.91 39376.05  4136.19  315.403   16.157  309.868   16.499 5.534393 23.09252 
1 1 1   -2    6   15 o  775.745   26.713 249892.59 16826.06 249234.09 23790.67 250551.80 23800.61  765.785   38.261  767.886   38.173 -2.101318 54.04713 
1 1 1   -2    6   16 o  161.881   7.4526 10661.68  979.581 11866.76  1380.07  9438.01  1390.67  170.346   10.022  151.673   11.375 18.67293 15.16008 
1 1 1   -2    6   17 o  287.654   10.799 33777.86  2522.33 33762.27  3554.99 33793.67  3579.36  286.394   15.343  286.501   15.444 -0.1068115 21.76966 
1 1 1   -2    6   18 o   95.304   7.1018  3719.82  545.617  3786.71  753.155  3645.96  791.510   95.786   9.8227   93.846   10.571 1.940155 14.43055 
1 1 1   -2    6   19 o  299.446   11.068 36848.02  2691.01 36715.98  3789.37 36982.34  3822.18  296.677   15.787  297.713   15.869 -1.036102 22.38439 
1 1 1   -2    6   20 o  158.795   8.2726 10363.47  1062.95 10241.83  1474.94 10494.92  1533.24  156.923   11.659  158.754   11.983 -1.831726 16.71889 
1 1 1   -2    6   21 o   55.435   10.525  1312.88  456.402  1422.89  536.523  1024.83  868.167   57.457   11.892   50.618   17.434 6.839565 21.10362 
1 1 1   -2    6   22 o   29.524   12.753 -29.5035  559.017 -664.6364  710.973  998.975  904.729   27.264   12.775   50.156   17.761 -22.89198 21.87798 
1 1 1   -2    6   23 o   31.982   12.708  256.956  493.298  640.190  569.367 -896.7203  987.875   40.269   14.104   31.777   14.944 8.491686 20.54883 
1 1 1   -2    6   24 o  126.258   9.1260  6724.29  929.273  3803.35  1217.04 10808.22  1439.07   90.391   17.211  158.758   11.236 -68.36690 20.55393 
1 1 1   -2    6   25 o  123.577   10.684  6645.87  1061.53  6131.94  1339.54  7513.42  1740.42  115.427   14.620  124.702   17.684 -9.274307 22.94522 
1 1 1   -2    6   26 o  123.593   10.882  6843.65  1080.89  6724.87  1373.86  7036.61  1751.07  118.267   14.618  114.557   19.525 3.709953 24.39115 
1 1 1   -2    8    1 o  700.864   34.102 202553.00 19406.47 196696.59 27443.63 208410.41 27446.18  683.073   49.824  703.981   48.308 -20.90741 69.39827 
1 1 1   -2    8    2 o  296.215   15.491 35823.76  3712.86 33925.44  5264.96 37701.77  5236.72  287.282   22.757  303.145   21.413 -15.86316 31.24725 
1 1 1   -2    8    3 o  460.263   22.670 86472.92  8472.07 84624.21 11999.11 88310.70 11963.61  452.820   32.859  462.813   32.033 -9.992645 45.88915 
1 1 1   -2    8    4 f  307.291   15.727 38519.82  3911.02 40676.64  5562.78 36411.57  5499.79  315.119   21.876  297.922   22.911 17.19760 31.67810 
1 1 1   -2    8    5 o  473.169   17.046 91096.48  6549.07 113665.60 11424.10 80048.77  7992.83  527.018   26.785  442.646   22.310 84.37228 34.85939 
1 1 1   -2    8    6 o  119.989   6.6588  5864.92  646.200  5082.13  1178.19  6201.71  772.807  111.022   13.337  123.326   7.7570 -12.30423 15.42851 
1 1 1   -2    8    7 o  459.178   21.525 85843.70  8025.35 73769.78 11295.53 98151.43 11404.38  423.576   33.106  489.605   28.814 -66.02924 43.88905 
1 1 1   -2    8    8 o  541.395   17.625 119227.00  7748.08 120733.20 10955.42 117719.60 10959.45  544.291   24.789  537.428   25.115 6.863159 35.28811 
1 1 1   -2    8    9 o  293.182   10.837 34926.97  2579.88 36833.43  3647.07 33017.54  3649.93  300.960   14.924  284.474   15.865 16.48666 21.78145 
1 1 1   -2    8   10 o  543.125   18.163 120187.50  8009.65 116700.20 11326.03 123676.40 11328.69  534.172   26.113  550.020   25.367 -15.84827 36.40551 
1 1 1   -2    8   11 o  275.354   11.130 30843.86  2488.48 31065.78  3045.76 30398.27  4315.82  276.207   13.581  272.080   19.668 4.126221 23.90129 
1 1 1   -2    8   12 o  357.025   12.592 51923.86  3650.36 51070.51  5159.14 52779.36  5165.65  353.001   18.060  359.365   17.703 -6.364716 25.28971 
1 1 1   -2    8   13 o  386.951   14.132 61085.30  4440.21 61334.53  6274.15 60835.24  6284.67  386.280   20.073  384.673   20.192 1.607391 28.47159 
1 1 1   -2    8   14 f  176.957   7.4835 12733.31  1075.25 13434.14  1509.09 12010.62  1532.45  181.343   10.291  171.346   11.074 9.997513 15.11765 
1 1 1   -2    8   15 o   46.432   8.7710  906.432  318.560  1351.47  409.267  222.336  507.416   56.902   9.1697   32.438   12.888 24.46466 15.81752 
1 1 1   -2    8   16 o  227.894   9.1300 21157.00  1689.45 22388.64  2385.52 19917.66  2392.97  233.739   12.616  220.281   13.443 13.45821 18.43607 
1 1 1   -2    8   17 o  179.976   8.0697 13194.28  1179.27 13434.68  1661.36 12950.15  1674.19  180.963   11.364  177.605   11.674 3.357605 16.29242 
1 1 1   -2    8   18 o  203.381   8.5252 16882.50  1407.85 17728.93  2010.47 16068.07  1972.08  207.547   11.981  197.466   12.362 10.08165 17.21520 
1 1 1   -2    8   19 o  132.609   8.0537  7216.58  863.069  6776.85  1174.53  7732.71  1272.47  127.784   11.441  136.526   11.588 -8.741951 16.28460 
1 1 1   -2    8   20 o  130.716   7.9887  7029.46  843.830  7074.34  1128.40  6972.52  1271.01  130.446   10.749  129.040   12.279 1.406219 16.31906 
1 1 1   -2    8   21 o   39.767   13.261  634.133  501.941  338.918  574.471  1586.82  1031.98   35.375   13.818   60.325   18.927 -24.95007 23.43425 
1 1 1   -2    8   22 o  110.906   8.8822  5123.12  793.143  5010.02  1022.82  5293.70  1256.14  108.638   11.784  110.600   14.324 -1.961609 18.54847 
1 1 1   -2    8   23 o  152.260   9.1732  9703.17  1128.78  9016.24  1508.48 10577.22  1701.59  144.598   12.987  156.304   13.541 -11.70538 18.76208 
1 1 1   -2    8   24 o  175.706   10.388 13168.75  1475.41 12685.00  2128.56 13616.10  2046.93  167.221   15.867  174.712   14.562 -7.490784 21.53601 
1 1 1   -2    8   25 o   59.899   13.063  1659.42  617.411  1678.58  673.465  1558.52  1545.76   59.693   14.117   56.463   22.476 3.230206 26.54135 
1 1 1   -2    8   26 o   47.151   14.490  1103.25  608.446  1103.25  608.446   0.0000   0.0000   47.151   14.490  ?   ?  0.000000 14.49045 
1 1 1   -2   10    1 o  498.211   20.025 101128.80  8100.80 95348.93 14016.05 104028.00  9926.71  480.528   36.188  504.889   24.214 -24.36090 43.54224 
1 1 1   -2   10    2 o  647.436   31.432 171584.30 16523.50 168751.70 23385.63 174408.30 23349.93  637.694   45.462  648.598   44.609 -10.90405 63.69280 
1 1 1   -2   10    3 o  1094.95   77.674 511843.69 68609.19 511843.69 68609.19   0.0000   0.0000  1094.95   77.674  ?   ?  0.000000 77.67442 
1 1 1   -2   10    4 o  701.569   33.931 201459.59 19328.91 197790.20 27367.54 205111.80 27302.98  690.435   49.138  703.472   48.088 -13.03687 68.75323 
1 1 1   -2   10    5 o  790.456   38.012 256070.59 24396.81 258258.50 34543.94 253893.20 34460.82  788.229   54.305  781.392   54.659 6.837646 77.04956 
1 1 1   -2   10    6 o  329.086   15.305 44029.80  4089.52   0.0000   0.0000 44029.80  4089.52  ?   ?   329.086   15.305 0.000000 15.30467 
1 1 1   -2   10    7 o  709.141   26.534 205047.50 15278.01 242615.41 26561.15 186472.00 18677.00  767.572   42.788  674.444   34.217 93.12775 54.78716 
1 1 1   -2   10    8 o  497.205   19.699 100639.90  7952.87 112574.70 13873.00 94797.96  9706.05  523.589   32.797  481.528   24.910 42.06143 41.18452 
1 1 1   -2   10    9 o  543.489   21.504 120456.90  9489.57 129000.80 16529.86 116256.80 11589.68  558.919   36.626  532.597   26.887 26.32233 45.43533 
1 1 1   -2   10   10 f   67.211   5.7206  1848.15  309.222  1312.22  419.443  2486.21  457.665   56.035   9.5620   77.882   7.3232 -21.84701 12.04417 
1 1 1   -2   10   11 f  244.699   10.793 24365.14  2144.35 23684.56  3809.35 24680.83  2594.45  239.822   19.738  245.807   13.046 -5.984634 23.65940 
1 1 1   -2   10   12 o  420.278   15.284 72093.95  5215.78 77528.23  7378.49 66666.31  7373.98  434.826   20.898  402.251   22.669 32.57483 30.83256 
1 1 1   -2   10   13 o  240.529   9.4341 23543.06  1842.49 22642.06  2602.17 24448.94  2609.19  235.184   13.686  244.488   13.192 -9.303421 19.00890 
1 1 1   -2   10   14 o  158.936   6.5634 10269.11  847.011  7714.97  1185.39 12933.56  1210.72  137.193   10.727  178.293   8.3632 -41.10016 13.60157 
1 1 1   -2   10   15 o  647.276   21.658 173038.91 11382.74 165338.20 16097.61 180739.59 16097.64  625.884   31.780  656.261   30.210 -30.37677 43.84760 
1 1 1   -2   10   16 o  242.024   9.2411 23870.79  1816.01 22426.65  2554.06 25347.40  2582.62  233.705   13.517  248.637   12.836 -14.93161 18.64088 
1 1 1   -2   10   17 f  308.799   11.364 39003.96  2849.40 39585.60  4029.39 38422.16  4029.93  309.539   16.087  304.861   16.340 4.677643 22.93003 
1 1 1   -2   10   18 o  119.651   7.4829  5862.90  723.329  6270.50  994.864  5405.81  1053.54  123.347   10.020  114.177   11.522 9.169395 15.26918 
1 1 1   -2   10   19 o   94.278   7.8790  3661.50  597.612  3452.51  764.710  3989.38  957.834   90.999   10.545   97.457   12.384 -6.457581 16.26527 
1 1 1   -2   10   20 o  174.631   8.5047 12529.31  1205.92 13029.54  1680.15 11997.80  1731.88  176.763   11.774  169.224   12.697 7.539139 17.31547 
1 1 1   -2   10   21 o  107.294   8.4862  4773.26  733.273  4497.31  928.041  5231.81  1196.32  103.312   11.245  110.637   13.604 -7.324860 17.64944 
1 1 1   -2   10   22 o   80.363   9.6996  2724.53  620.122  2615.33  752.499  2955.66  1094.72   77.840   12.316   80.841   17.206 -3.000626 21.15931 
1 1 1   -2   10   23 o   19.923   9.2130 -269.9260  350.963 -161.7833  379.280 -914.1075  925.690   22.275   10.018   30.196   14.281 -7.920277 17.44423 
1 1 1   -2   10   24 o   44.154   12.496  876.739  468.196  936.140  513.901  586.646  1135.67   45.506   13.161   45.488   18.830 0.1855850E-01 22.97334 
1 1 1   -2   10   25 o   43.701   12.591  885.104  471.148  1127.92  504.917 -750.1387  1310.32   49.205   12.587   36.390   17.143 12.81456 21.26800 
1 1 1   -2   12    1 o  537.527   21.566 117677.10  9412.79 110993.30 16298.71 121021.90 11529.93  518.757   38.980  544.714   26.069 -25.95740 46.89340 
1 1 1   -2   12    2 o  593.504   28.943 143808.50 13947.55 139179.20 19743.60 148420.09 19706.09  580.585   42.169  599.981   40.691 -19.39569 58.60050 
1 1 1   -2   12    3 o  1684.39  125.076 1272500.00 169840.80 1272500.00 169840.80   0.0000   0.0000  1684.39  125.076  ?   ?  0.000000 125.0757 
1 1 1   -2   12    4 o  1604.97  117.453 1138516.00 151999.70 1138516.00 151999.70   0.0000   0.0000  1604.97  117.453  ?   ?  0.000000 117.4533 
1 1 1   -2   12    5 o  1070.71   74.959 483251.91 64756.95   0.0000   0.0000 483251.91 64756.95  ?   ?   1070.71   74.959 0.000000 74.95910 
1 1 1   -2   12    6 o  670.374   32.157 183638.00 17503.50 193298.91 24809.66 174063.91 24698.09  684.270   44.903  648.599   47.222 35.67035 65.16227 
1 1 1   -2   12    7 o  354.955   15.393 51239.51  4436.43 49246.17  7832.99 52180.93  5383.06  346.165   28.111  357.578   18.605 -11.41336 33.70982 
1 1 1   -2   12    8 f  381.624   14.754 59251.73  4571.80 75213.51  8067.93 51702.02  5548.65  428.669   23.267  355.700   19.284 72.96985 30.21907 
1 1 1   -2   12    9 o  1330.40   54.799 748594.38 59196.46 702270.62 102664.10 771666.62 72453.76  1223.31  104.356  1337.90   66.696 -114.5894 123.8492 
1 1 1   -2   12   10 o  168.127   10.453 11543.64  1419.97 11880.79  2121.19 11269.88  1911.44  169.982   15.541  165.676   14.351 4.305206 21.15314 
1 1 1   -2   12   11 o  243.700   10.903 24174.53  2157.47 23776.77  3891.52 24351.04  2592.34  240.108   20.147  244.096   13.128 -3.987671 24.04656 
1 1 1   -2   12   12 o  366.531   15.364 54865.63  4572.38 50077.24  8063.87 57134.70  5551.01  346.453   28.930  373.573   18.300 -27.11945 34.23243 
1 1 1   -2   12   13 o  100.973   6.2022  4159.48  506.040  4627.90  698.331  3641.54  734.322  106.354   8.1487   94.077   9.7550 12.27725 12.71061 
1 1 1   -2   12   14 o  674.488   23.112 188078.70 12657.65 187230.41 17910.94 188925.00 17890.31  666.703   33.086  669.855   32.893 -3.151733 46.65431 
1 1 1   -2   12   15 o  276.493   10.263 31169.68  2304.12 30457.66  3262.56 31878.19  3254.50  272.296   14.812  278.673   14.432 -6.377106 20.68076 
1 1 1   -2   12   16 o  295.793   10.518 35718.40  2526.09 35463.88  3579.37 35970.96  3565.53  293.513   15.070  295.654   14.900 -2.141022 21.19252 
1 1 1   -2   12   17 o  143.250   7.5597  8387.28  876.185  9377.74  1221.06  7335.99  1257.99  151.131   10.007  133.282   11.744 17.84953 15.42957 
1 1 1   -2   12   18 o  169.107   8.0940 11689.27  1111.38 12354.36  1563.02 11009.15  1580.59  172.971   11.189  163.024   12.026 9.946655 16.42570 
1 1 1   -2   12   19 o   56.517   8.5984  1339.35  382.138  1729.62  435.841   41.996  794.651   64.390   8.5475   36.223   15.416 28.16684 17.62731 
1 1 1   -2   12   20 o  186.256   8.1633 14256.59  1234.57 11539.32  1678.58 17458.47  1822.12  165.771   12.564  204.833   10.996 -39.06245 16.69641 
1 1 1   -2   12   21 o   21.926   9.5682 -55.9465  321.344   44.658  340.400 -879.8060  974.109   24.303   10.203   31.883   14.944 -7.579872 18.09539 
1 1 1   -2   12   22 o   65.443   10.025  1828.18  515.754  1589.40  576.300  2788.80  1155.92   60.266   12.196   77.581   18.593 -17.31557 22.23563 
1 1 1   -2   12   23 o   11.271   5.7005 -867.0915  255.239 -736.0576  264.038 -2735.5161  997.039   12.363   6.1914   23.606   11.852 -11.24366 13.37152 
1 1 1   -2   12   24 o   24.974   10.428   83.966  352.618  276.420  369.653 -1860.9301  1175.11   29.174   11.167   29.625   14.508 -0.4508152 18.30819 
1 1 1   -2   12   25 o   75.767   10.477  2561.31  627.283  2335.59  691.426  3611.36  1491.28   71.041   12.440   78.452   22.337 -7.410690 25.56729 
1 1 1   -2   14    1 o  1047.77   41.040 450161.69 34915.07 447626.50 60481.23 451428.91 42759.73  1031.65   72.667  1046.64   50.315 -14.98962 88.38587 
1 1 1   -2   14    2 o  610.755   29.618 152233.20 14688.17 164134.91 20803.36 140402.41 20741.19  631.434   40.794  583.088   44.136 48.34576 60.10085 
1 1 1   -2   14    3 o  688.759   48.001 196171.30 26676.57   0.0000   0.0000 196171.30 26676.57  ?   ?   688.759   48.001 0.000000 48.00076 
1 1 1   -2   14    4 o  808.417   38.645 267816.91 25367.07 292232.31 35923.35 243534.00 35825.76  839.464   52.975  764.350   58.162 75.11450 78.67085 
1 1 1   -2   14    5 o  1501.45   72.748 948649.62 88688.84 1027772.00 125476.90 869658.12 125373.10  1535.09  101.237  1401.87  111.052 133.2166 150.2711 
1 1 1   -2   14    6 o  778.138   37.317 248644.50 23577.62 263381.50 33408.48 234021.09 33279.48  795.036   52.040  748.016   55.183 47.01971 75.85040 
1 1 1   -2   14    7 o  905.671   35.004 337481.91 25741.29 390864.09 44766.59 311113.31 31462.98  962.329   57.556  864.763   44.964 97.56635 73.03716 
1 1 1   -2   14    8 o  369.563   15.545 55646.43  4664.59 58389.34  8272.64 54367.85  5648.08  376.219   27.266  364.462   19.153 11.75711 33.32077 
1 1 1   -2   14    9 o  472.703   22.141 91563.52  8498.23 101944.30 12207.96 81803.65 11837.22  495.851   30.469  443.109   33.140 52.74228 45.01843 
1 1 1   -2   14   10 o  292.478   12.975 34857.05  3081.30 31024.65  5538.50 36574.96  3708.15  273.428   25.231  298.996   15.326 -25.56738 29.52092 
1 1 1   -2   14   11 o  150.050   8.3523  9184.74  1013.58  8247.11  1990.02  9513.18  1177.80  140.888   17.793  152.608   9.5532 -11.71960 20.19500 
1 1 1   -2   14   12 o   91.393   8.0148  3423.13  588.750  3847.67  1247.98  3301.59  667.726   95.621   16.680   89.590   9.3154 6.031349 19.10521 
1 1 1   -2   14   13 o  486.647   20.164 97428.84  7967.46 88311.15 14010.32 101786.90  9686.23  454.191   38.349  496.036   24.049 -41.84479 45.26584 
1 1 1   -2   14   14 o  233.793   11.070 22295.39  2101.48 19615.97  3876.78 23410.31  2500.76  216.655   22.359  239.021   12.934 -22.36601 25.83026 
1 1 1   -2   14   15 o  306.443   13.752 38456.75  3421.91 33212.36  6210.92 40742.51  4100.37  279.903   27.691  314.518   16.110 -34.61435 32.03663 
1 1 1   -2   14   16 o  151.127   9.1504  9352.88  1117.55 10025.93  2220.75  9124.63  1293.23  154.655   18.023  149.018   10.760 5.637207 20.99060 
1 1 1   -2   14   17 o  357.176   12.727 52536.43  3690.93 56357.64  5242.17 48779.87  5197.63  367.593   17.563  340.831   18.855 26.76160 25.76756 
1 1 1   -2   14   18 o  176.249   7.8555 12709.09  1124.19 11982.68  1553.74 13507.17  1628.58  170.080   11.316  180.666   11.156 -10.58629 15.89047 
1 1 1   -2   14   19 o  189.635   8.6809 14778.74  1336.66 14769.93  1865.33 14788.03  1916.36  188.071   12.283  188.040   12.625 0.3073120E-01 17.61359 
1 1 1   -2   14   20 o   75.663   8.0396  2380.53  486.353  2213.65  571.057  2821.25  928.017   72.467   9.9690   80.465   14.747 -7.997902 17.80077 
1 1 1   -2   14   21 o   49.869   10.634  1076.44  417.458  1051.76  469.523  1169.58  912.092   49.056   11.908   52.646   17.875 -3.589870 21.47834 
1 1 1   -2   14   22 f   35.304   11.686  510.787  390.070  911.870  432.361 -1243.7860  904.306   45.512   11.650   27.863   13.429 17.64894 17.77801 
1 1 1   -2   14   23 o  114.907   9.0369  5587.18  836.340  5424.33  1034.59  5894.29  1420.75  111.792   11.565  113.546   15.842 -1.753654 19.61397 
1 1 1   -2   14   24 o   75.257   23.226  3227.41  1561.30   0.0000   0.0000  3227.41  1561.30  ?   ?    75.257   23.226 0.000000 23.22598 
1 1 1   -2   16    1 o  486.391   19.856 96305.16  7841.94 97179.20 13608.76 95870.66  9595.17  486.046   34.711  484.343   24.478 1.702515 42.47380 
1 1 1   -2   16    2 o  999.715   39.451 410255.50 32024.10 433484.69 55470.06 398642.69 39220.41  1014.82   67.706  981.245   49.384 33.57782 83.80309 
1 1 1   -2   16    3 o  600.636   29.295 147435.70 14287.03 154805.41 20254.47 140137.70 20155.72  612.221   40.982  581.864   42.966 30.35724 59.37625 
1 1 1   -2   16    4 o  419.390   21.101 71868.66  7162.56 78850.27 10194.78 65063.34 10065.25  438.166   28.816  397.375   31.452 40.79089 42.65650 
1 1 1   -2   16    5 f  802.054   38.859 265446.19 25306.88 275168.09 35861.57 255802.30 35717.54  808.444   54.958  778.352   56.910 30.09143 79.11433 
1 1 1   -2   16    6 o  631.935   30.842 164217.09 15825.26 169179.30 22461.43 159325.91 22300.05  635.940   43.766  616.605   44.848 19.33484 62.66429 
1 1 1   -2   16    7 o  605.596   29.793 151139.20 14649.93 152536.59 20809.42 149765.91 20628.02  602.266   42.833  596.731   42.859 5.534302 60.59313 
1 1 1   -2   16    8 o  637.277   27.726 167434.50 14347.00 199234.50 20535.32 137111.50 20052.73  690.284   36.771  568.779   43.756 121.5046 57.15479 
1 1 1   -2   16    9 o  515.195   18.899 108616.30  7905.90 129426.90 13940.13 98749.19  9598.89  557.920   30.892  490.021   24.125 67.89911 39.19647 
1 1 1   -2   16   10 o  510.381   19.479 106750.60  8072.21 117689.00 14232.37 101563.20  9801.15  530.237   33.225  496.536   24.310 33.70087 41.16919 
1 1 1   -2   16   11 o  258.300   11.525 27187.86  2417.08 26731.98  4440.95 27379.74  2881.22  254.027   21.740  258.643   13.769 -4.616287 25.73361 
1 1 1   -2   16   12 o  179.267   9.0815 13115.05  1317.58 14620.98  2594.62 12591.76  1529.46  188.119   17.176  175.455   10.788 12.66374 20.28293 
1 1 1   -2   16   13 o  299.170   13.100 36570.15  3182.19 36006.27  5804.10 36812.50  3805.07  293.547   24.577  299.341   15.710 -5.794525 29.16931 
1 1 1   -2   16   14 o  281.690   12.725 32444.15  2910.58 30487.63  5392.17 33248.59  3457.54  269.317   24.941  284.380   15.027 -15.06241 29.11841 
1 1 1   -2   16   15 o  518.550   21.509 111981.10  9056.29 108551.30 16031.94 113588.40 10975.12  493.990   40.321  518.575   26.149 -24.58475 48.05814 
1 1 1   -2   16   16 o  345.630   14.749 49329.75  4139.10 53572.96  7580.54 47527.33  4940.60  352.678   26.669  337.376   18.102 15.30200 32.23185 
1 1 1   -2   16   17 o   28.766   12.423 -50.5994  530.173  1200.13  1891.49 -157.2400  552.312   63.890   25.041   28.056   12.384 35.83392 27.93605 
1 1 1   -2   16   18 o  111.532   10.576  5177.35  946.274  4415.43  2591.81  5294.54  1016.44   96.983   29.924  112.614   11.267 -15.63129 31.97488 
1 1 1   -2   16   19 o   91.983   12.483  3593.21  908.205  5140.76  2353.35  3322.39  984.470  103.511   27.524   87.797   14.302 15.71418 31.01822 
1 1 1   -2   16   20 o  146.950   11.337  9079.31  1342.27 11594.97  3166.97  8528.45  1481.96  156.016   25.909  141.618   13.034 14.39732 29.00254 
1 1 1   -2   16   21 o  205.671   12.556 18036.35  2086.84 19934.03  4491.39 17513.89  2356.66  197.895   28.796  201.045   14.535 -3.150009 32.25646 
1 1 1   -2   16   22 o  132.952   13.866  7773.65  1474.85 13100.26  4098.56  6981.31  1580.74  146.702   34.913  124.379   16.025 22.32309 38.41481 
1 1 1   -2   16   23 o   82.123   19.574  3384.67  1286.72   0.0000   0.0000  3384.67  1286.72  ?   ?    82.123   19.574 0.000000 19.57378 
1 1 1   -2   16   24 o   58.194   23.550  1901.71  1726.75   0.0000   0.0000  1901.71  1726.75  ?   ?    58.194   23.550 0.000000 23.54968 
1 1 1   -2   18    1 o  328.524   14.500 43922.77  3867.95 42307.98  6756.09 44710.11  4717.61  320.514   26.189  330.801   17.627 -10.28604 31.56887 
1 1 1   -2   18    2 o  115.069   8.8538  5412.55  820.881  5890.00  1481.23  5200.92  986.172  119.253   15.677  112.574   10.926 6.679062 19.10926 
1 1 1   -2   18    3 o  177.963   11.922 12939.93  1712.75 14583.42  2504.12 11495.19  2347.83  188.467   16.531  167.010   17.577 21.45709 24.12937 
1 1 1   -2   18    4 o  420.795   21.364 72570.91  7275.43 79956.52 10369.73 65410.88 10210.14  439.997   29.191  397.086   31.937 42.91101 43.26792 
1 1 1   -2   18    5 o  195.790   12.425 15667.39  1965.05 17609.47  2887.49 13992.03  2681.88  207.005   17.339  184.235   18.164 22.77014 25.11121 
1 1 1   -2   18    6 o  414.229   31.032 71362.81 10361.38 71362.81 10361.38   0.0000   0.0000  414.229   31.032  ?   ?  0.000000 31.03174 
1 1 1   -2   18    7 o  486.312   24.733 97516.61  9734.27 95419.54 13881.48 99545.51 13654.01  476.918   36.115  487.769   34.702 -10.85077 50.08488 
1 1 1   -2   18    8 o  347.049   12.009 49062.58  3384.05 63160.74  6158.04 42963.16  4050.47  392.722   19.312  324.412   15.377 68.30945 24.68581 
1 1 1   -2   18    9 o  322.622   12.835 42436.27  3362.14 48013.29  6139.21 40047.03  4018.29  341.016   22.294  312.663   15.880 28.35361 27.37188 
1 1 1   -2   18   10 o  506.587   17.961 105158.70  7387.77 129084.90 13115.19 94038.23  8941.28  556.390   29.132  477.627   23.055 78.76285 37.15133 
1 1 1   -2   18   11 o  317.969   13.898 41306.40  3588.22 40909.39  6549.16 41476.70  4289.31  312.980   26.006  317.758   16.683 -4.777802 30.89755 
1 1 1   -2   18   12 o  201.479   10.221 16587.07  1666.59 15341.17  3283.89 17019.29  1934.19  191.604   21.478  203.887   11.733 -12.28354 24.47340 
1 1 1   -2   18   13 o  251.285   11.438 25781.79  2333.67 27674.82  4465.62 25070.58  2737.16  257.648   21.544  247.121   13.695 10.52672 25.52796 
1 1 1   -2   18   14 o  121.411   9.0926  6044.50  889.858  2736.55  1928.69  6939.10  1002.99   81.201   25.922  130.068   9.5641 -48.86744 27.63025 
1 1 1   -2   18   15 o  205.967   10.698 17414.89  1783.01 19282.12  3840.11 16901.71  2013.17  212.889   22.559  202.542   12.300 10.34717 25.69416 
1 1 1   -2   18   16 o   81.223   10.195  2748.60  657.516  1756.60  1907.64  2882.34  700.437   69.438   25.625   83.116   10.622 -13.67864 27.73940 
1 1 1   -2   18   17 o  237.752   11.846 23396.91  2286.89 27002.33  4714.89 22287.77  2615.09  247.490   23.754  230.776   14.022 16.71440 27.58437 
1 1 1   -2   18   18 o   29.869   13.007 -81.2846  591.004  -3.0323  1836.03 -90.3299  624.228   52.673   22.931   30.620   13.350 22.05269 26.53428 
1 1 1   -2   18   19 o   29.373   13.520 -508.6293  743.205 -1709.8340  1974.39 -310.3288  802.209   44.621   21.028   32.509   14.599 12.11175 25.59859 
1 1 1   -2   18   20 o   35.661   15.510 -42.5682  838.357 -1418.0800  2707.73  103.272  881.681   53.867   25.140   38.031   16.213 15.83586 29.91494 
1 1 1   -2   18   21 o   37.561   16.349   2.2710  932.788 -1465.4210  3027.47  156.214  980.488   55.234   26.032   39.910   17.058 15.32439 31.12321 
1 1 1   -2   18   22 o   57.785   23.110  1404.59  1641.72   0.0000   0.0000  1404.59  1641.72  ?   ?    57.785   23.110 0.000000 23.11022 
1 1 1   -2   18   23 o   53.684   21.479  1333.57  1418.80   0.0000   0.0000  1333.57  1418.80  ?   ?    53.684   21.479 0.000000 21.47898 
1 1 1   -2   20    1 o  305.090   17.182 38116.39  4239.12   0.0000   0.0000 38116.39  4239.12  ?   ?   305.090   17.182 0.000000 17.18229 
1 1 1   -2   20    2 o  698.068   28.298 200891.91 16039.47 221793.70 27840.95 190508.20 19623.23  722.040   47.758  675.789   35.891 46.25073 59.74060 
1 1 1   -2   20    3 o  380.968   16.402 59241.33  5073.73 50846.01  8804.74 63415.07  6208.13  349.130   31.395  393.735   19.419 -44.60431 36.91509 
1 1 1   -2   20    4 o  555.661   40.926 130361.90 18334.94 130361.90 18334.94   0.0000   0.0000  555.661   40.926  ?   ?  0.000000 40.92599 
1 1 1   -2   20    5 o  195.926   19.509 15866.27  3062.26 15866.27  3062.26   0.0000   0.0000  195.926   19.509  ?   ?  0.000000 19.50861 
1 1 1   -2   20    6 o  278.729   15.938 31830.03  3592.18 32108.59  5230.96 31581.44  4941.60  278.514   23.347  276.457   22.201 2.056305 32.21739 
1 1 1   -2   20    7 o  101.626   11.973  4265.75  969.053  2803.19  1534.07  5236.85  1250.03   81.343   22.479  112.442   13.994 -31.09917 26.47890 
1 1 1   -2   20    8 o  466.012   23.815 89768.40  8981.30 92405.70 12877.82 87270.75 12532.20  468.509   34.086  455.210   34.155 13.29980 48.25357 
1 1 1   -2   20    9 o  484.346   19.394 96335.30  7627.10 94171.38 13588.20 97330.69  9215.81  471.289   35.776  485.594   23.373 -14.30518 42.73434 
1 1 1   -2   20   10 o  567.450   21.626 132820.41  9963.97 144408.30 17666.96 127415.10 12066.10  581.437   37.623  553.425   26.852 28.01184 46.22235 
1 1 1   -2   20   11 o  386.134   15.163 61071.54  4754.14 68129.97  8685.60 58052.23  5680.67  403.319   26.673  375.625   18.625 27.69339 32.53240 
1 1 1   -2   20   12 o  104.378   8.5121  4466.64  715.132  6997.82  1807.06  3996.61  778.705  129.240   17.684   98.517   9.8674 30.72246 20.25073 
1 1 1   -2   20   13 o   91.272   9.1008  3430.85  665.465  3572.29  1767.07  3407.48  718.351   90.746   23.718   90.839   9.8995 -0.9314728E-01 25.70072 
1 1 1   -2   20   14 o  162.285   9.5979 10802.52  1259.09  9464.29  2699.14 11174.71  1423.45  148.180   23.194  164.867   10.691 -16.68770 25.53970 
1 1 1   -2   20   15 o  116.510   9.3889  5596.22  880.669  5263.61  2811.21  5632.41  927.348  107.104   30.726  116.795   9.8712 -9.690178 32.27246 
1 1 1   -2   20   16 o   83.399   11.421  2923.81  753.068  6255.15  2681.59  2638.59  784.643  115.762   28.677   78.838   12.688 36.92433 31.35861 
1 1 1   -2   20   17 o  116.294   11.300  5657.16  1053.54  6858.90  3165.68  5507.48  1117.22  117.911   32.171  114.451   12.211 3.460098 34.41030 
1 1 1   -2   20   18 f  152.423   11.208  9724.67  1377.40 10993.26  3801.99  9533.01  1477.79  147.265   32.652  150.490   12.199 -3.225632 34.85675 
1 1 1   -2   20   19 o   32.538   14.675 -338.6365  820.856  2917.81  2497.84 -732.8949  869.127   78.988   29.288   30.499   14.237 48.48928 32.56527 
1 1 1   -2   20   20 o  113.359   19.740  5976.74  1750.90  4856.20  3472.08  6358.86  2027.58   91.512   34.412  114.867   22.544 -23.35432 41.13914 
1 1 1   -2   20   21 o   35.666   16.681 -841.9397  1202.60   0.0000   0.0000 -841.9397  1202.60  ?   ?    35.666   16.681 0.000000 16.68128 
1 1 1   -2   20   22 o   77.200   20.498  3096.08  1306.46   0.0000   0.0000  3096.08  1306.46  ?   ?    77.200   20.498 0.000000 20.49824 
1 1 1   -2   20   23 o   65.681   25.559  2886.67  1959.69   0.0000   0.0000  2886.67  1959.69  ?   ?    65.681   25.559 0.000000 25.55904 
1 1 1   -2   22    1 o  202.352   20.947 16964.45  3391.89   0.0000   0.0000 16964.45  3391.89  ?   ?   202.352   20.947 0.000000 20.94740 
1 1 1   -2   22    2 o  392.811   21.540 63504.06  6843.94 65881.64  9669.64 61117.46  9687.96  397.567   30.180  382.402   31.481 15.16504 43.61044 
1 1 1   -2   22    3 o  607.062   25.045 151865.91 12345.03 143961.80 21441.22 155785.41 15098.79  579.449   45.949  612.723   30.349 -33.27338 55.06643 
1 1 1   -2   22    4 o  121.236   10.807  6031.76  1052.73  6467.25  1828.69  5815.91  1287.46  124.327   18.693  118.648   13.610 5.678650 23.12322 
1 1 1   -2   22    5 o  229.250   14.700 21544.83  2721.86 21182.33  4006.70 21855.48  3709.08  225.927   22.125  229.956   20.066 -4.028946 29.86922 
1 1 1   -2   22    6 o  210.517   14.061 18171.72  2389.74 17917.64  3576.07 18376.73  3212.33  207.661   21.521  210.863   18.965 -3.201996 28.68498 
1 1 1   -2   22    7 f  267.175   15.848 29302.14  3422.76 30835.71  5064.70 28012.93  4643.68  272.457   23.112  259.823   22.225 12.63373 32.06422 
1 1 1   -2   22    8 o   89.058   12.798  3302.77  898.839  2656.35  1485.16  3676.38  1129.10   79.135   22.208   93.593   15.393 -14.45817 27.02080 
1 1 1   -2   22    9 o  126.391   7.8035  6524.67  796.922  7340.37  1908.90  6352.49  877.003  132.460   18.232  124.611   8.7227 7.848824 20.21084 
1 1 1   -2   22   10 o  238.551   11.261 23223.90  2181.15 23813.84  4351.81 23025.99  2520.60  238.652   22.733  236.951   13.153 1.701248 26.26333 
1 1 1   -2   22   11 o   88.969   8.3436  3252.39  595.702  4294.31  1773.98  3119.97  632.425   99.755   22.444   87.025   9.0840 12.73013 24.21308 
1 1 1   -2   22   12 o  236.781   11.807 22950.02  2269.90 21178.87  4572.50 23529.23  2614.86  222.750   25.756  239.075   13.526 -16.32484 29.09169 
1 1 1   -2   22   13 o  170.456   10.745 11950.16  1479.49  5323.70  3280.30 13642.36  1657.67  108.965   33.672  182.055   11.269 -73.09012 35.50758 
1 1 1   -2   22   14 o  311.116   13.941 40111.39  3521.70 46405.07  7037.54 38008.83  4067.64  324.900   26.919  301.104   16.703 23.79547 31.68020 
1 1 1   -2   22   15 o  302.559   14.549 38232.96  3574.29 37050.93  7075.05 38638.02  4141.68  282.781   31.341  302.241   16.945 -19.46048 35.62812 
1 1 1   -2   22   16 o   71.126   12.953  2171.39  720.495  1846.34  2515.55  2200.44  752.000   73.167   28.815   71.477   13.451 1.689369 31.79981 
1 1 1   -2   22   17 o   86.135   19.908  3365.74  1364.41  5093.03  2850.31  2852.29  1554.03  100.750   31.429   78.588   22.932 22.16240 38.90618 
1 1 1   -2   22   18 o  129.210   17.965  7421.15  1833.80 10797.83  4099.01  6576.21  2050.44  139.809   35.917  119.018   22.029 20.79160 42.13449 
1 1 1   -2   22   19 o   79.549   15.987  2849.97  996.777  4767.82  3386.87  2668.10  1042.97   91.754   34.088   76.360   17.231 15.39442 38.19548 
1 1 1   -2   22   20 o   64.147   17.240  1930.41  917.215  7366.95  3648.16  1563.57  947.655  105.353   35.750   57.932   18.131 47.42041 40.08444 
1 1 1   -2   22   21 o   58.274   18.676  1661.70  1000.35   0.0000   0.0000  1661.70  1000.35  ?   ?    58.274   18.676 0.000000 18.67571 
1 1 1   -2   22   22 o   33.245   16.060 -1375.0990  1312.13   0.0000   0.0000 -1375.0990  1312.13  ?   ?    33.245   16.060 0.000000 16.06026 
1 1 1   -2   24    1 o  184.917   14.537 14049.39  2165.16   0.0000   0.0000 14049.39  2165.16  ?   ?   184.917   14.537 0.000000 14.53745 
1 1 1   -2   24    2 f  160.921   11.867 10612.21  1539.68  9730.06  2753.79 11013.39  1857.07  152.031   23.029  163.643   14.114 -11.61201 27.01032 
1 1 1   -2   24    3 o  319.126   15.192 41627.09  3936.52 41906.10  6925.66 41493.93  4784.56  316.761   27.191  317.546   18.638 -0.7848511 32.96550 
1 1 1   -2   24    4 o  281.681   14.200 32492.71  3237.31 28571.16  5659.60 34399.76  3946.74  261.049   27.096  289.345   16.872 -28.29620 31.91933 
1 1 1   -2   24    5 o  246.147   15.868 24898.97  3154.56 24556.28  4703.38 25179.17  4253.00  242.509   24.210  246.308   21.481 -3.799728 32.36544 
1 1 1   -2   24    6 o  217.948   14.898 19521.41  2620.71 19878.45  3927.18 19234.75  3518.83  218.283   22.479  215.202   20.381 3.080551 30.34274 
1 1 1   -2   24    7 o  414.323   22.514 71209.33  7545.71 70581.05 10953.84 71776.70 10409.44  407.349   33.412  411.908   31.359 -4.559753 45.82305 
1 1 1   -2   24    8 f  194.115   14.236 15504.92  2228.22 16801.07  3522.75 14640.50  2876.83  200.323   22.021  187.567   19.158 12.75534 29.18864 
1 1 1   -2   24    9 o  189.572   14.862 14825.87  2269.35 11522.74  3580.49 17043.74  2933.92  163.497   27.977  202.620   18.021 -39.12383 33.27844 
1 1 1   -2   24   10 o  268.894   12.894 29619.68  2815.13 23910.27  5654.53 31501.13  3246.00  235.239   30.309  276.609   14.503 -41.36975 33.60011 
1 1 1   -2   24   11 o  153.102   10.698  9636.38  1321.53  1751.37  3160.77 11306.77  1454.80   80.819   32.150  165.870   10.862 -85.05035 33.93502 
1 1 1   -2   24   12 f   70.239   9.2511  2052.33  514.770  2138.87  2301.53  2047.77  528.150   76.374   28.154   70.110   9.5242 6.264809 29.72103 
1 1 1   -2   24   13 o   79.432   9.7182  2626.58  613.709  2773.61  2868.95  2619.53  628.252   84.393   31.369   79.270   9.9822 5.122505 32.91942 
1 1 1   -2   24   14 o   57.310   16.452  1419.16  805.763 -2998.3850  2358.83  2002.72  857.334   45.702   21.939   67.749   15.864 -22.04712 27.07386 
1 1 1   -2   24   15 o   72.945   17.000  2349.79  988.275  311.710  3202.56  2564.29  1038.98   68.934   30.141   76.195   17.201 -7.260742 34.70373 
1 1 1   -2   24   16 o   59.493   20.393  1484.06  1187.25 -1240.8669  2884.12  2040.03  1302.75   57.748   26.600   67.584   21.275 -9.835915 34.06149 
1 1 1   -2   24   17 f  170.810   11.805 12303.86  1627.26 11815.81  4415.37 12380.57  1750.47  144.957   37.298  170.842   12.710 -25.88535 39.40384 
1 1 1   -2   24   18 o  147.123   13.306  9321.18  1572.27 -2118.8250  5111.83 10516.51  1652.37   68.608   32.762  156.446   13.129 -87.83766 35.29520 
1 1 1   -2   24   19 o  100.492   15.491  4547.60  1223.36 12040.32  4935.65  4057.15  1262.76  127.335   41.542   93.764   17.221 33.57090 44.97026 
1 1 1   -2   24   20 o   34.667   15.679 -267.3542  944.473   0.0000   0.0000 -267.3542  944.473  ?   ?    34.667   15.679 0.000000 15.67866 
1 1 1   -2   24   21 o   67.176   24.422  2700.89  1723.28   0.0000   0.0000  2700.89  1723.28  ?   ?    67.176   24.422 0.000000 24.42202 
1 1 1   -2   26    1 o  312.104   18.979 40187.51  4786.87   0.0000   0.0000 40187.51  4786.87  ?   ?   312.104   18.979 0.000000 18.97935 
1 1 1   -2   26    2 o  106.304   17.167  4750.09  1431.27   0.0000   0.0000  4750.09  1431.27  ?   ?   106.304   17.167 0.000000 17.16685 
1 1 1   -2   26    3 o  156.185   12.712 10027.04  1598.06 11048.89  2913.04  9587.12  1911.35  161.939   22.784  152.197   15.692 9.742096 27.66497 
1 1 1   -2   26    4 o  409.214   18.849 68910.27  6262.85 66008.79 11003.33 70300.69  7617.06  392.852   34.857  411.415   22.892 -18.56305 41.70229 
1 1 1   -2   26    5 o  442.442   20.299 80797.91  7292.44 76493.57 12722.75 82903.96  8899.42  420.793   37.634  445.798   24.682 -25.00504 45.00601 
1 1 1   -2   26    6 o  440.409   24.590 81050.70  8758.28 76595.78 12749.18 85031.91 12052.32  420.100   37.780  445.770   33.544 -25.66910 50.52258 
1 1 1   -2   26    7 o  247.225   16.630 25254.53  3318.89 26068.16  5129.43 24668.62  4352.85  248.214   25.829  242.635   22.346 5.579300 34.15372 
1 1 1   -2   26    8 o  379.231   21.748 60104.60  6668.62 59608.37  9886.52 60518.85  9032.89  370.761   33.192  375.875   29.842 -5.114014 44.63470 
1 1 1   -2   26    9 o  293.784   18.976 36024.79  4502.44 31616.16  6877.06 39332.17  5956.53  268.366   32.203  304.425   24.300 -36.05948 40.34273 
1 1 1   -2   26   10 o  285.726   13.917 33685.44  3228.83 27860.27  6541.08 35562.10  3712.69  249.107   33.163  292.551   15.687 -43.44431 36.68592 
1 1 1   -2   26   11 o  115.718   16.607  5696.69  1515.68  2554.33  3270.58  6556.14  1710.44   85.512   33.091  124.008   17.471 -38.49576 37.41968 
1 1 1   -2   26   12 o  186.104   15.895 14609.78  2378.92 16257.15  4387.35 13923.74  2831.26  188.259   29.685  179.868   19.709 8.391052 35.63213 
1 1 1   -2   26   13 o  149.432   15.725  9495.18  1879.32 10184.38  3874.84  9283.19  2149.00  144.217   33.697  146.508   18.476 -2.291901 38.42999 
1 1 1   -2   26   14 o  120.009   10.334  5999.99  997.137  5501.55  3471.89  6044.80  1040.99  104.574   34.877  120.330   10.768 -15.75610 36.50177 
1 1 1   -2   26   15 o  114.306   10.815  5480.22  991.820  6328.55  4148.32  5428.79  1021.44  107.767   38.045  113.627   11.218 -5.859276 39.66391 
1 1 1   -2   26   16 o  145.038   11.590  8880.60  1353.47  3491.28  4247.91  9489.55  1427.89   87.555   36.345  149.836   11.833 -62.28149 38.22247 
1 1 1   -2   26   17 o   64.933   16.588  1923.47  877.764  3656.90  4513.21  1855.32  894.851   85.738   36.621   63.681   16.991 22.05760 40.37043 
1 1 1   -2   26   18 o  116.964   13.204  5983.06  1232.04  5301.28  4731.97  6032.64  1276.05   88.856   37.712  117.158   13.671 -28.30280 40.11342 
1 1 1   -2   26   19 o   57.964   19.182  1627.32  1050.95   0.0000   0.0000  1627.32  1050.95  ?   ?    57.964   19.182 0.000000 19.18206 
1 1 1   -2   26   20 o   96.750   17.198  4592.69  1301.54   0.0000   0.0000  4592.69  1301.54  ?   ?    96.750   17.198 0.000000 17.19807 
1 1 1   -2   26   21 f   77.476   28.489  4872.32  2354.59   0.0000   0.0000  4872.32  2354.59  ?   ?    77.476   28.489 0.000000 28.48894 
1 1 1   -2   28    1 o  225.514   17.440 21052.92  3168.54   0.0000   0.0000 21052.92  3168.54  ?   ?   225.514   17.440 0.000000 17.43962 
1 1 1   -2   28    2 o  133.163   17.466  7420.84  1842.97   0.0000   0.0000  7420.84  1842.97  ?   ?   133.163   17.466 0.000000 17.46617 
1 1 1   -2   28    3 o  724.723   31.490 223567.00 18530.28 204687.80 32506.49 232655.09 22553.60  649.568   62.400  730.681   38.147 -81.11316 73.13647 
1 1 1   -2   28    4 f  534.290   24.008 119376.40 10415.30 100690.60 18331.62 128283.70 12656.56  468.025   48.963  550.005   28.438 -81.98013 56.62255 
1 1 1   -2   28    5 o  106.113   16.345  4743.85  1363.07  6657.12  2576.42  4000.18  1606.28  123.426   26.500   96.254   21.131 27.17218 33.89373 
1 1 1   -2   28    6 o  268.733   15.998 29903.66  3475.06 29709.94  6112.92 29996.16  4223.99  262.037   29.229  267.869   19.556 -5.831848 35.16748 
1 1 1   -2   28    7 o  211.690   16.686 18682.50  2844.78 17538.18  4517.27 19434.61  3662.22  200.120   28.615  214.193   21.341 -14.07306 35.69674 
1 1 1   -2   28    8 o  132.175   16.103  7356.27  1692.45  7156.37  3121.72  7439.48  2014.15  125.205   30.896  131.908   19.384 -6.702690 36.47303 
1 1 1   -2   28    9 o  291.051   19.198 35875.40  4511.43 37646.81  7135.65 34695.81  5822.90  289.057   30.881  281.642   25.747 7.414886 40.20618 
1 1 1   -2   28   10 o   91.869   20.053  3723.55  1453.86  4093.36  3494.56  3646.15  1598.79   96.710   34.835   90.377   21.995 6.333641 41.19762 
1 1 1   -2   28   11 o   84.183   9.4187  2948.68  632.770  4489.71  3526.02  2897.40  643.212   98.689   35.050   83.380   9.6808 15.30838 36.36212 
1 1 1   -2   28   12 o   96.001   9.4445  3832.05  726.662  2498.81  3241.89  3902.58  745.635   82.214   32.605   96.847   9.6088 -14.63381 33.99170 
1 1 1   -2   28   13 o  203.577   11.991 17348.35  1973.34 21898.00  5658.94 16718.52  2105.50  208.238   34.689  199.266   13.086 8.971619 37.07513 
1 1 1   -2   28   14 o   45.544   14.959  860.326  639.598  1662.13  3931.64  838.529  648.233   78.489   33.862   45.200   15.070 33.28819 37.06428 
1 1 1   -2   28   15 o   34.705   13.533  341.212  550.258  1822.12  3323.68  299.478  557.957   74.403   31.593   34.171   13.535 40.23152 34.37053 
1 1 1   -2   28   16 o   54.823   15.425  1354.09  715.536 -1585.4659  4875.52  1418.80  723.369   67.962   32.326   56.058   15.413 11.90376 35.81249 
1 1 1   -2   28   17 o   58.908   16.646  1614.20  831.442 -1458.5460  5581.84  1683.92  840.822   68.435   33.076   60.122   16.652 8.313206 37.03136 
1 1 1   -2   28   18 o   63.456   18.884  1993.50  1045.14   0.0000   0.0000  1993.50  1045.14  ?   ?    63.456   18.884 0.000000 18.88441 
1 1 1   -2   28   19 o   43.115   17.515  659.513  959.108   0.0000   0.0000  659.513  959.108  ?   ?    43.115   17.515 0.000000 17.51459 
1 1 1   -2   28   20 o   37.690   18.272 -1347.1960  1736.43   0.0000   0.0000 -1347.1960  1736.43  ?   ?    37.690   18.272 0.000000 18.27209 
1 1 1   -2   30    1 o  143.244   27.378  9031.96  3068.18   0.0000   0.0000  9031.96  3068.18  ?   ?   143.244   27.378 0.000000 27.37752 
1 1 1   -2   30    2 o   80.612   30.660  2176.04  2775.04   0.0000   0.0000  2176.04  2775.04  ?   ?    80.612   30.660 0.000000 30.65951 
1 1 1   -2   30    3 o   59.780   22.544  1150.04  1492.35   0.0000   0.0000  1150.04  1492.35  ?   ?    59.780   22.544 0.000000 22.54398 
1 1 1   -2   30    4 o  286.191   27.315 35649.00  6270.34   0.0000   0.0000 35649.00  6270.34  ?   ?   286.191   27.315 0.000000 27.31507 
1 1 1   -2   30    5 f  107.521   25.356  5161.12  2177.74   0.0000   0.0000  5161.12  2177.74  ?   ?   107.521   25.356 0.000000 25.35646 
1 1 1   -2   30    6 o   67.134   21.842  1881.97  1364.78  2300.09  3024.10  1775.03  1529.39   82.103   31.806   66.803   23.132 15.29977 39.32799 
1 1 1   -2   30    7 o  128.967   18.555  7151.22  1887.06  5038.87  4093.93  7721.10  2126.43  105.542   37.737  133.417   20.267 -27.87454 42.83463 
1 1 1   -2   30    8 o  376.088   23.712 61872.14  7203.79 64309.67 11099.01 60097.87  9469.35  363.689   38.154  359.147   32.835 4.541382 50.33735 
1 1 1   -2   30    9 o  206.073   18.802 18264.53  3111.42 21756.73  5820.56 16867.40  3681.57  211.666   35.096  194.795   23.769 16.87053 42.38805 
1 1 1   -2   30   10 o  135.400   18.162  7964.69  1946.37  9332.21  4170.27  7583.84  2200.77  134.357   37.035  130.406   21.536 3.950409 42.84152 
1 1 1   -2   30   11 o  119.020   9.8882  5894.92  946.942  7435.71  4107.41  5808.43  973.158  117.832   37.851  118.029   10.256 -0.1961899 39.21634 
1 1 1   -2   30   12 o  188.908   12.996 15076.54  1981.34  6174.81  6327.31 16044.31  2086.27  106.279   44.257  194.740   13.273 -88.46204 46.20449 
1 1 1   -2   30   13 o  236.367   13.302 23743.54  2542.49 24862.57  7388.20 23593.21  2707.87  197.680   46.761  234.831   14.269 -37.15063 48.89014 
1 1 1   -2   30   14 o  127.593   10.754  6875.24  1103.75  3675.41  5700.55  6999.88  1125.04   88.975   39.502  128.700   10.868 -39.72478 40.97000 
1 1 1   -2   30   15 o   86.552   13.534  3296.20  919.981 -4885.6592  5735.39  3512.28  932.050   64.360   31.626   89.547   13.216 -25.18732 34.27663 
1 1 1   -2   30   16 o   46.748   16.627  923.214  793.790  1420.77  4826.93  909.384  804.746   71.925   33.567   46.611   16.724 25.31461 37.50282 
1 1 1   -2   30   17 o   33.440   14.901 -116.9767  818.720   0.0000   0.0000 -116.9767  818.720  ?   ?    33.440   14.901 0.000000 14.90116 
1 1 1   -2   30   18 o   32.053   14.406 -132.8467  782.967   0.0000   0.0000 -132.8467  782.967  ?   ?    32.053   14.406 0.000000 14.40597 
1 1 1   -2   32    1 o  248.826   29.703 27997.82  5882.57   0.0000   0.0000 27997.82  5882.57  ?   ?   248.826   29.703 0.000000 29.70324 
1 1 1   -2   32    2 o   66.565   26.058  1352.25  2046.40   0.0000   0.0000  1352.25  2046.40  ?   ?    66.565   26.058 0.000000 26.05839 
1 1 1   -2   32    3 o  128.930   23.030  7367.89  2322.50   0.0000   0.0000  7367.89  2322.50  ?   ?   128.930   23.030 0.000000 23.03041 
1 1 1   -2   32    4 o  191.898   26.796 16570.46  4061.38 23424.58  5927.31 10504.56  5576.08  222.689   33.846  141.032   43.954 81.65720 55.47548 
1 1 1   -2   32    5 o  194.609   28.596 17349.48  4383.80 10610.79  6069.34 24699.51  6338.68  139.273   46.098  226.087   35.715 -86.81436 58.31436 
1 1 1   -2   32    6 o  116.908   34.828  6767.94  3553.53  3452.02  4663.89 11357.00  5486.66   95.403   38.669  144.810   43.308 -49.40756 58.05928 
1 1 1   -2   32    7 o  257.870   51.285 38648.20 10360.07   0.0000   0.0000 38648.20 10360.07  ?   ?   257.870   51.285 0.000000 51.28466 
1 1 1   -2   32    8 o  168.007   55.288 19235.50  8735.34   0.0000   0.0000 19235.50  8735.34  ?   ?   168.007   55.288 0.000000 55.28824 
1 1 1   -2   32   10 o   99.123   26.395  4755.67  2162.24   0.0000   0.0000  4755.67  2162.24  ?   ?    99.123   26.395 0.000000 26.39515 
1 1 1   -2   32   11 o  217.796   13.314 20162.63  2343.20   0.0000   0.0000 20162.63  2343.20  ?   ?   217.796   13.314 0.000000 13.31411 
1 1 1   -2   32   12 o  206.912   13.419 18328.00  2242.32   0.0000   0.0000 18328.00  2242.32  ?   ?   206.912   13.419 0.000000 13.41908 
1 1 1   -2   32   13 o   83.978   11.087  3023.06  737.518   0.0000   0.0000  3023.06  737.518  ?   ?    83.978   11.087 0.000000 11.08714 
1 1 1   -2   32   14 f   35.875   14.058  386.095  596.030   0.0000   0.0000  386.095  596.030  ?   ?    35.875   14.058 0.000000 14.05798 
1 1 1   -2   32   15 o   61.329   16.061  1775.44  809.268   0.0000   0.0000  1775.44  809.268  ?   ?    61.329   16.061 0.000000 16.06093 
1 1 1   -2   32   16 o   73.240   16.025  2577.95  926.493   0.0000   0.0000  2577.95  926.493  ?   ?    73.240   16.025 0.000000 16.02491 
1 1 1   -2   32   17 o   68.312   17.639  2414.81  985.155   0.0000   0.0000  2414.81  985.155  ?   ?    68.312   17.639 0.000000 17.63894 
1 1 1   -2   34    1 o  133.614   26.257  8259.21  2747.04   0.0000   0.0000  8259.21  2747.04  ?   ?   133.614   26.257 0.000000 26.25705 
1 1 1   -2   34    2 o   75.961   27.282  2427.22  2141.99   0.0000   0.0000  2427.22  2141.99  ?   ?    75.961   27.282 0.000000 27.28181 
1 1 1   -2   34    3 o  117.828   25.676  6457.69  2387.06   0.0000   0.0000  6457.69  2387.06  ?   ?   117.828   25.676 0.000000 25.67597 
1 1 1   -2   34    4 o  120.149   27.184  6832.68  2590.05   0.0000   0.0000  6832.68  2590.05  ?   ?   120.149   27.184 0.000000 27.18417 
1 1 1   -2   34    5 o  194.395   21.182 16777.25  3289.32 11548.11  7254.74 18130.39  3690.45  133.773   49.852  200.600   23.078 -66.82657 54.93468 
1 1 1   -2   34    6 o   49.916   21.665   43.887  1628.84  887.553  3818.26 -143.8007  1800.94   75.259   32.909   50.910   22.422 24.34892 39.82108 
1 1 1   -2   34    7 o   61.298   24.436  1193.69  1829.54  1355.64  5173.87  1170.55  1955.91   83.866   37.409   62.219   25.104 21.64684 45.05125 
1 1 1   -2   34    8 o  127.971   25.134  7801.01  2518.41 -274.2147  6236.67  9374.30  2752.83   82.232   38.303  140.667   25.019 -58.43475 45.74992 
1 1 1   -2   34    9 o   65.089   25.638  1583.04  1991.75  3415.10  6091.16  1363.70  2107.61   91.201   40.642   64.090   25.989 27.11095 48.24078 
1 1 1   -2   34   10 o  118.647   26.783  7082.63  2519.05  3781.98  6834.76  7601.47  2709.81   91.211   41.613  121.978   27.958 -30.76720 50.13255 
1 1 1   -2   34   11 o  105.030   10.140  4669.24  853.960 10156.62  6793.73  4581.15  860.787  109.252   45.708  103.943   10.336 5.308578 46.86187 
1 1 1   -2   34   12 o  145.812   10.845  9065.02  1274.81 24683.24  6638.99  8467.11  1298.98  183.554   44.912  140.491   11.488 43.06287 46.35829 
1 1 1   -2   34   13 o  135.010   12.934  8020.52  1400.48 12179.08  8034.02  7890.19  1422.26   97.345   44.674  133.622   13.285 -36.27717 46.60791 
1 1 1   -2   34   14 o  109.467   12.992  5371.00  1132.23   0.0000   0.0000  5371.00  1132.23  ?   ?   109.467   12.992 0.000000 12.99205 
1 1 1   -2   34   15 o   56.185   15.740  1550.24  746.741   0.0000   0.0000  1550.24  746.741  ?   ?    56.185   15.740 0.000000 15.73992 
1 1 1   -2   36    1 o   73.681   28.857  2129.89  2510.37   0.0000   0.0000  2129.89  2510.37  ?   ?    73.681   28.857 0.000000 28.85680 
1 1 1   -2   36    2 o   56.194   24.803 -36.0312  2215.70   0.0000   0.0000 -36.0312  2215.70  ?   ?    56.194   24.803 0.000000 24.80330 
1 1 1   -2   36    3 o  136.465   30.113  9363.11  3247.28   0.0000   0.0000  9363.11  3247.28  ?   ?   136.465   30.113 0.000000 30.11340 
1 1 1   -2   36    4 o   87.235   30.286  3777.76  2622.50   0.0000   0.0000  3777.76  2622.50  ?   ?    87.235   30.286 0.000000 30.28604 
1 1 1   -2   36    5 o   83.475   29.931  3414.49  2577.15   0.0000   0.0000  3414.49  2577.15  ?   ?    83.475   29.931 0.000000 29.93091 
1 1 1   -2   36    6 o   69.100   26.826  1967.56  2154.94 -5919.1421  6711.12  2874.21  2275.44   70.469   34.544   77.615   28.087 -7.146255 44.52109 
1 1 1   -2   36    7 o   60.358   25.270  995.071  2078.70 -1086.8080  6695.98  1217.11  2186.74   78.438   37.467   62.836   26.080 15.60175 45.65039 
1 1 1   -2   36    8 o  124.902   28.506  8176.34  2827.27  4119.62  7117.02  8936.50  3080.79   89.922   41.549  129.203   29.950 -39.28134 51.21850 
1 1 1   -2   36    9 o   88.839   29.560  4398.54  2494.58   67.534  7840.92  4886.29  2631.30   79.718   38.689   92.816   30.335 -13.09841 49.16315 
1 1 1   -2   36   10 o   59.223   25.228  1091.91  2131.69  5360.64  8346.44  794.034  2204.82   86.236   41.363   57.778   25.141 28.45877 48.40452 
1 1 1   -2   36   11 o   61.683   10.847  1670.38  523.438 11110.67  8783.16  1636.73  524.370   91.155   43.367   60.986   10.994 30.16928 44.73838 
1 1 1   -2   36   12 o   23.473   10.502 -129.7623  411.163 -7507.1089  8984.84 -114.2806  411.594   63.502   32.294   23.688   10.560 39.81430 33.97661 
1 1 1   -2   36   13 o   68.093   11.982  2105.22  638.273   0.0000   0.0000  2105.22  638.273  ?   ?    68.093   11.982 0.000000 11.98179 
1 1 1   -2   36   14 o   66.801   13.026  2104.25  681.159   0.0000   0.0000  2104.25  681.159  ?   ?    66.801   13.026 0.000000 13.02607 
1 1 1   -2   38    1 o   99.292   34.125  5719.89  3325.32   0.0000   0.0000  5719.89  3325.32  ?   ?    99.292   34.125 0.000000 34.12458 
1 1 1   -2   38    2 o  197.094   31.604 20777.48  4886.87   0.0000   0.0000 20777.48  4886.87  ?   ?   197.094   31.604 0.000000 31.60436 
1 1 1   -2   38    3 o  189.201   32.286 19497.97  4781.94   0.0000   0.0000 19497.97  4781.94  ?   ?   189.201   32.286 0.000000 32.28596 
1 1 1   -2   38    4 o  183.839   31.369 18355.26  4514.40   0.0000   0.0000 18355.26  4514.40  ?   ?   183.839   31.369 0.000000 31.36859 
1 1 1   -2   38    5 o   72.522   29.012  2488.74  2587.95   0.0000   0.0000  2488.74  2587.95  ?   ?    72.522   29.012 0.000000 29.01158 
1 1 1   -2   38    6 o  146.623   33.506 12703.03  3901.79   0.0000   0.0000 12703.03  3901.79  ?   ?   146.623   33.506 0.000000 33.50584 
1 1 1   -2   38    7 o   90.596   30.695  4958.33  2689.48  6898.04 10056.80  4808.92  2791.14   87.298   42.686   88.671   31.217 -1.372322 52.88262 
1 1 1   -2   38    8 o   70.212   28.195  2643.42  2454.65  1829.98  9906.35  2696.63  2533.66   77.474   38.668   70.675   28.552 6.799095 48.06676 
1 1 1   -2   38    9 o   69.790   29.092  2808.66  2738.02 -2878.2419 10484.61  3224.88  2836.44   70.281   35.654   72.475   29.857 -2.193382 46.50413 
1 1 1   -2   38   10 o   64.914   27.876  2377.63  2640.60  2333.07 10731.98  2380.50  2724.36   70.370   35.737   65.018   28.119 5.351753 45.47311 
1 1 1   -2   38   11 o   62.058   26.392  2317.38  2325.81   0.0000   0.0000  2317.38  2325.81  ?   ?    62.058   26.392 0.000000 26.39205 
1 1 1   -2   40    1 o   71.279   31.632  2376.72  3651.64   0.0000   0.0000  2376.72  3651.64  ?   ?    71.279   31.632 0.000000 31.63239 
1 1 1   -2   40    2 o   96.873   37.306  7385.32  4141.46   0.0000   0.0000  7385.32  4141.46  ?   ?    96.873   37.306 0.000000 37.30649 
1 1 1   -2   40    3 o  125.223   39.643 12321.23  4518.02   0.0000   0.0000 12321.23  4518.02  ?   ?   125.223   39.643 0.000000 39.64293 
1 1 1   -2   40    4 o   68.903   30.682  2342.11  3464.81   0.0000   0.0000  2342.11  3464.81  ?   ?    68.903   30.682 0.000000 30.68245 
1 1 1   -2   40    5 o   61.244   28.400  807.866  3369.17   0.0000   0.0000  807.866  3369.17  ?   ?    61.244   28.400 0.000000 28.39969 
1 1 1   -2   40    6 o   82.657   32.942  5349.53  3324.28   0.0000   0.0000  5349.53  3324.28  ?   ?    82.657   32.942 0.000000 32.94247 
1 1 1   -2   40    7 f   88.827   35.504  7452.94  3872.22   0.0000   0.0000  7452.94  3872.22  ?   ?    88.827   35.504 0.000000 35.50388 
1 1 1   -2   40    8 o   33.658   16.979 -5060.6899  2180.32   0.0000   0.0000 -5060.6899  2180.32  ?   ?    33.658   16.979 0.000000 16.97919 
1 1 1   -2   42    1 o   74.009   34.108  6027.07  4750.55   0.0000   0.0000  6027.07  4750.55  ?   ?    74.009   34.108 0.000000 34.10813 
1 1 1   -2   42    2 o   73.535   33.998  6115.84  4776.36   0.0000   0.0000  6115.84  4776.36  ?   ?    73.535   33.998 0.000000 33.99829 
1 1 1   -2   42    3 o   70.686   33.044  5498.93  4708.40   0.0000   0.0000  5498.93  4708.40  ?   ?    70.686   33.044 0.000000 33.04369 
1 1 1   -1    1    1 o  362.752   25.851 54430.04  7564.36 54430.04  7564.36   0.0000   0.0000  362.752   25.851  ?   ?  0.000000 25.85086 
1 1 1   -1    1    5 o  717.740   24.383 210895.91 14209.74 214838.59 20094.16 206952.00 20097.05  721.487   34.301  707.895   34.964 13.59235 48.97999 
1 1 1   -1    1    6 o  122.036   5.5952  6048.17  554.427  6694.80  782.409  5395.99  785.757  128.156   7.5523  114.934   8.4797 13.22203 11.35533 
1 1 1   -1    1    7 o  1064.48   35.951 464646.31 31073.01 472825.81 43942.52 456465.91 43945.23  1068.58   50.645  1049.56   51.566 19.02612 72.27750 
1 1 1   -1    1    8 o  865.825   29.211 306066.31 20535.84 317570.00 29040.74 294560.59 29043.38  879.632   40.660  846.803   42.240 32.82904 58.63004 
1 1 1   -1    1    9 o  283.763   10.245 32711.30  2360.51 34334.46  3336.85 31085.37  3339.69  290.634   14.140  276.117   14.952 14.51608 20.57914 
1 1 1   -1    1   10 o  137.109   6.3268  7634.12  704.347  7717.23  1000.65  7552.52  991.611  137.539   9.0099  136.056   9.0273 1.483490 12.75429 
1 1 1   -1    1   11 o  189.952   7.5861 14657.03  1170.04 14343.15  1653.00 14972.20  1656.37  187.533   10.903  191.631   10.688 -4.098297 15.26751 
1 1 1   -1    1   12 o  675.561   32.861 188478.91 18025.44 191403.80 25488.79 185552.50 25494.84  673.437   46.907  662.588   47.707 10.84875 66.90466 
1 1 1   -1    1   13 o  291.978   10.629 34694.08  2519.86 33628.92  3560.05 35763.52  3567.19  286.683   15.350  295.730   14.904 -9.047272 21.39449 
1 1 1   -1    1   14 o  293.397   10.671 35046.68  2542.17 33676.34  3591.71 36422.32  3598.64  286.747   15.484  298.708   14.837 -11.96017 21.44509 
1 1 1   -1    1   15 f  432.126   15.065 76317.27  5285.90 78336.14  7471.77 74294.49  7479.01  436.417   21.085  424.293   21.782 12.12317 30.31617 
1 1 1   -1    1   16 o  350.065   12.617 50032.20  3586.29 52618.86  5069.15 47440.16  5074.43  358.087   17.434  339.301   18.489 18.78665 25.41241 
1 1 1   -1    1   17 o  158.479   7.5072 10221.30  966.021 10352.75  1344.24 10080.91  1389.19  158.973   10.473  156.793   10.981 2.180008 15.17429 
1 1 1   -1    1   18 o  240.767   9.5128 23654.50  1859.71 23535.53  2631.69 23773.17  2628.36  239.151   13.609  240.380   13.521 -1.228653 19.18405 
1 1 1   -1    1   19 o  195.135   8.6792 15558.70  1375.17 14683.27  1920.58 16479.67  1969.91  188.489   12.622  199.847   12.198 -11.35722 17.55300 
1 1 1   -1    1   20 o   64.140   10.163  1731.97  511.648  2112.36  756.158  1410.74  694.878   70.148   13.767   57.101   14.848 13.04639 20.24879 
1 1 1   -1    1   21 o  138.527   8.0368  7901.23  900.089  8402.42  1262.64  7383.38  1283.45  142.007   11.037  132.738   12.039 9.269608 16.33284 
1 1 1   -1    1   22 o  120.785   9.1993  6065.20  895.424  6149.65  1271.97  5982.23  1260.75  120.146   13.259  118.449   13.341 1.697678 18.80937 
1 1 1   -1    1   23 o  102.057   9.2144  4362.64  755.337  4879.59  1039.27  3783.82  1099.71  106.800   12.204   92.608   15.149 14.19183 19.45271 
1 1 1   -1    1   24 o  207.599   10.237 18186.08  1725.65 18572.30  2455.06 17808.93  2426.07  205.158   14.838  200.711   14.995 4.446548 21.09534 
1 1 1   -1    1   25 o  110.922   11.027  5353.05  979.949  5522.84  1364.85  5172.39  1407.86  108.991   15.890  104.320   17.222 4.670074 23.43255 
1 1 1   -1    1   26 o   56.761   15.407  1595.23  728.304  1994.91  939.860  994.501  1152.24   61.863   17.771   47.669   19.256 14.19402 26.20331 
1 1 1   -1    3    1 o  467.382   33.312 91157.82 12559.09 91157.82 12559.09   0.0000   0.0000  467.382   33.312  ?   ?  0.000000 33.31192 
1 1 1   -1    3    2 o  439.197   17.066 78768.30  6085.97 83197.03 10583.37 76580.23  7438.99  447.962   29.257  432.376   21.189 15.58554 36.12449 
1 1 1   -1    3    4 o  887.783   43.383 329911.09 31272.38 353474.09 44225.75 306347.91 44225.89  904.464   60.571  837.466   65.562 66.99799 89.25902 
1 1 1   -1    3    5 o  475.229   16.307 91999.21  6292.54 92696.38  8900.12 91302.41  8897.88  476.229   23.017  472.612   23.187 3.617859 32.67107 
1 1 1   -1    3    6 o  495.729   16.961 100035.50  6826.96 99012.60  9655.24 101058.20  9654.33  492.517   24.144  497.606   23.895 -5.088989 33.96859 
1 1 1   -1    3    7 o  693.193   23.476 195877.41 13213.23 198471.80 18685.34 193282.50 18687.33  696.381   33.046  687.141   33.494 9.239197 47.05156 
1 1 1   -1    3    8 o  1122.75   43.740 518072.81 39875.43 486060.59 69057.53 534084.88 48840.31  1069.70   80.089  1136.77   52.914 -67.06995 95.99020 
1 1 1   -1    3    9 o  325.967   11.438 43172.12  3027.29 42204.71  4278.45 44142.05  4284.03  321.739   16.432  329.482   16.013 -7.742798 22.94435 
1 1 1   -1    3   10 o  915.891   30.740 342864.19 22860.38 350983.59 32326.69 334742.00 32332.24  923.682   43.102  901.764   44.157 21.91760 61.70650 
1 1 1   -1    3   11 o  215.228   8.2503 18820.16  1441.80 20690.90  2039.86 16952.56  2038.15  225.603   11.136  203.803   12.375 21.80035 16.64775 
1 1 1   -1    3   12 o  227.250   12.508 21084.44  2299.05 20301.60  3267.32 21852.16  3235.60  222.260   18.266  230.770   17.396 -8.510941 25.22444 
1 1 1   -1    3   13 o  430.056   15.034 75454.34  5249.61 77009.60  7418.95 73894.77  7429.21  433.445   21.080  423.943   21.655 9.502838 30.22057 
1 1 1   -1    3   14 o  152.896   6.9497  9502.34  862.780 10175.77  1222.18  8833.36  1218.14  157.846   9.5813  146.954   10.274 10.89258 14.04798 
1 1 1   -1    3   15 o  519.380   18.093 110591.90  7630.35 111938.70 10785.64 109242.50 10796.26  520.028   25.544  512.932   26.007 7.095520 36.45351 
1 1 1   -1    3   16 o  324.604   11.779 42991.81  3104.64 43141.85  4387.92 42841.40  4393.33  323.929   16.740  322.776   16.821 1.152771 23.73156 
1 1 1   -1    3   17 o  140.434   7.2504  8046.42  823.932  8517.98  1153.67  7555.52  1177.11  144.202   9.9134  135.654   10.776 8.547577 14.64196 
1 1 1   -1    3   18 o  107.016   7.4158  4686.49  640.407  5128.31  876.185  4179.76  938.352  111.663   9.7619  100.399   11.732 11.26418 15.26211 
1 1 1   -1    3   19 o  192.645   8.6702 15167.49  1356.21 16725.89  1922.78 13624.60  1913.19  201.398   11.810  181.371   13.079 20.02647 17.62187 
1 1 1   -1    3   20 o  169.938   8.1754 11826.53  1128.07 11091.49  1578.36 12594.06  1612.87  163.352   11.984  174.285   11.461 -10.93301 16.58206 
1 1 1   -1    3   21 o  154.247   8.2079  9797.86  1024.28  8673.04  1432.52 10974.47  1465.13  143.783   12.391  162.314   11.185 -18.53131 16.69287 
1 1 1   -1    3   22 o  115.259   9.2953  5530.19  862.512  5549.76  1212.77  5510.17  1226.91  114.000   13.355  113.492   13.584 0.5076218 19.04936 
1 1 1   -1    3   23 o  153.163   9.1911  9787.82  1137.74 10481.72  1578.82  9038.17  1641.01  156.754   12.509  144.515   14.167 12.23903 18.89889 
1 1 1   -1    3   24 o  150.148   9.3070  9488.67  1129.07  8765.09  1543.56 10321.35  1655.84  141.492   13.603  153.785   13.394 -12.29329 19.09072 
1 1 1   -1    3   25 f   33.734   13.970  238.277  625.459 -787.0938  872.693  1321.24  896.867   29.329   13.870   52.817   17.727 -23.48756 22.50782 
1 1 1   -1    3   26 o   55.879   14.568  1524.54  667.745  1062.48  864.487  2207.98  1051.38   47.063   17.269   64.029   18.913 -16.96674 25.61102 
1 1 1   -1    5    1 o  452.652   22.413 83999.00  8237.77 80166.09 11659.71 87819.11 11640.24  438.573   32.984  459.691   31.373 -21.11737 45.52148 
1 1 1   -1    5    2 o  486.848   23.938 97252.96  9462.68 94190.54 13391.72 100306.70 13372.80  475.097   34.960  490.794   33.762 -15.69696 48.60186 
1 1 1   -1    5    3 o  617.445   29.381 157007.70 14730.23 166875.70 20902.77 147272.91 20761.32  631.100   41.014  591.556   43.529 39.54413 59.80756 
1 1 1   -1    5    4 o  987.171   46.575 407555.19 37332.20 470772.59 52844.84 344572.41 52746.71  1047.30   62.427  885.790   74.016 161.5098 96.82673 
1 1 1   -1    5    5 o  609.825   20.573 151647.20 10186.88 155073.41 14403.52 148218.09 14409.33  615.372   28.827  601.493   29.504 13.87854 41.24843 
1 1 1   -1    5    6 o  821.859   27.756 275941.31 18522.38 273404.00 26190.94 278480.00 26198.28  815.457   39.556  823.085   39.200 -7.627747 55.68966 
1 1 1   -1    5    7 o  779.420   26.133 247796.59 16538.38 268788.69 23388.37 226803.00 23389.21  810.145   35.555  742.564   38.928 67.58099 52.72105 
1 1 1   -1    5    8 o  766.235   36.851 240359.09 22927.33 256565.20 32411.79 224128.30 32436.52  787.093   50.989  734.302   54.798 52.79187 74.85111 
1 1 1   -1    5    9 o  785.639   26.188 251665.50 16705.74 243009.30 23623.55 260324.50 23627.43  770.225   37.774  797.430   36.491 -27.20502 52.52089 
1 1 1   -1    5   10 o  437.100   15.100 77705.25  5359.04 79479.22  7576.40 75928.99  7581.26  441.682   21.126  431.120   21.727 10.56177 30.30465 
1 1 1   -1    5   11 o  661.020   22.215 178474.91 11923.12 167625.41 16858.97 189331.80 16864.70  637.568   32.676  678.987   30.590 -41.42004 44.76004 
1 1 1   -1    5   12 o  261.137   11.216 27749.12  2378.20 30134.58  4142.19 26576.12  2904.65  270.900   18.951  255.003   14.083 15.89719 23.61069 
1 1 1   -1    5   13 o  261.253   9.7013 27768.16  2057.93 27615.79  2906.68 27921.29  2914.03  259.891   13.824  261.334   13.782 -1.443085 19.52011 
1 1 1   -1    5   14 o  231.583   8.8707 21817.94  1668.02 21531.02  2356.28 22106.16  2361.59  229.462   12.696  232.533   12.554 -3.071564 17.85504 
1 1 1   -1    5   15 o  727.996   25.216 219416.59 14905.42 212667.59 21075.17 226171.00 21083.73  708.187   36.778  732.207   35.463 -24.02032 51.09019 
1 1 1   -1    5   16 o  303.339   11.169 37530.59  2751.05 35601.41  3881.61 39477.68  3899.60  294.229   16.311  310.447   15.470 -16.21796 22.48084 
1 1 1   -1    5   17 o  136.595   7.0717  7612.41  781.638  7635.66  1090.45  7587.84  1120.99  136.481   9.9075  136.008   10.226 0.4730835 14.23803 
1 1 1   -1    5   18 o  127.496   7.1710  6641.16  739.344  7540.33  1037.88  5714.78  1053.47  135.579   9.4878  117.675   11.159 17.90398 14.64720 
1 1 1   -1    5   19 o  264.042   10.202 28584.91  2187.29 28347.27  3085.03 28825.11  3101.63  261.219   14.604  263.437   14.557 -2.217682 20.61949 
1 1 1   -1    5   20 o  170.068   8.2425 11851.25  1138.19 11420.41  1582.06 12313.50  1638.74  165.745   11.833  172.145   11.795 -6.400513 16.70788 
1 1 1   -1    5   21 o  111.091   8.4763  5102.95  758.815  5046.73  978.558  5187.73  1201.76  109.759   11.134  110.450   13.694 -0.6907730 17.64927 
1 1 1   -1    5   22 o  192.049   9.2045 15265.41  1435.33 15721.33  2008.81 14789.88  2051.58  192.743   12.910  186.483   13.644 6.260788 18.78383 
1 1 1   -1    5   23 o  132.323   9.1997  7320.36  982.285  8061.28  1305.52  6353.60  1491.26  137.640   11.795  119.988   15.682 17.65253 19.62271 
1 1 1   -1    5   24 o   91.641   10.241  3589.71  749.004  3845.14  962.330  3197.18  1192.94   93.501   13.030   82.140   18.349 11.36051 22.50488 
1 1 1   -1    5   25 o   20.263   9.8037 -732.7653  493.630 -1451.7371  586.529  1013.10  913.987   18.867   9.4152   48.041   17.736 -29.17444 20.07994 
1 1 1   -1    5   26 o   76.814   12.325  2727.07  742.746  2480.60  925.362  3173.43  1245.29   69.829   16.570   75.718   19.969 -5.889252 25.94820 
1 1 1   -1    7    1 o  792.383   56.782 269182.69 36290.96 269182.69 36290.96   0.0000   0.0000  792.383   56.782  ?   ?  0.000000 56.78242 
1 1 1   -1    7    3 o  666.635   32.472 182836.91 17576.67 171925.70 24875.97 193715.20 24838.39  639.706   48.247  680.600   45.203 -40.89386 66.11427 
1 1 1   -1    7    4 o  409.905   15.533 68382.95  5169.72 76704.17  9031.88 64328.29  6304.65  432.430   25.841  397.281   19.545 35.14899 32.40009 
1 1 1   -1    7    5 o  393.542   15.813 63007.75  5052.94 63670.29  8814.37 62683.45  6166.85  393.799   27.744  392.325   19.359 1.474365 33.83009 
1 1 1   -1    7    6 o  280.239   10.057 31906.52  2288.32 33951.05  3235.94 29861.37  3236.42  288.987   13.791  270.594   14.786 18.39313 20.21914 
1 1 1   -1    7    7 o  276.246   11.244 31006.21  2522.05 25711.24  4314.21 33755.21  3108.54  250.381   21.427  288.186   13.285 -37.80461 25.21117 
1 1 1   -1    7    8 o  673.218   25.591 184732.50 13988.57 188444.80 17130.80 177303.70 24233.53  679.312   31.058  655.142   45.845 24.17023 55.37431 
1 1 1   -1    7    9 o  683.074   22.563 190087.30 12514.28 185196.00 17696.31 194980.41 17699.42  672.993   32.384  690.665   31.561 -17.67261 45.21999 
1 1 1   -1    7   10 o   45.307   6.9794  853.285  248.516  859.936  330.581  844.641  376.858   45.175   9.3216   44.694   10.553 0.4814224 14.08075 
1 1 1   -1    7   11 o  575.916   22.297 135647.50 10426.76 130880.50 12766.26 145198.80 18070.60  564.552   27.850  590.658   37.879 -26.10602 47.01486 
1 1 1   -1    7   12 o  350.304   14.465 50031.49  4114.33 48883.32  7177.68 50593.36  5021.10  343.724   25.908  351.911   17.572 -8.187775 31.30544 
1 1 1   -1    7   13 o  335.380   12.207 45825.37  3324.12 46230.17  4698.16 45419.58  4703.88  335.832   17.288  332.834   17.467 2.997772 24.57553 
1 1 1   -1    7   14 o  218.331   8.6996 19393.03  1542.25 19649.90  2177.86 19134.64  2184.30  219.206   12.286  216.277   12.492 2.928925 17.52067 
1 1 1   -1    7   15 o  274.681   10.040 30732.78  2239.30 29541.88  3164.37 31927.40  3169.32  268.430   14.573  279.539   13.963 -11.10867 20.18276 
1 1 1   -1    7   16 o  191.377   7.9142 14905.93  1229.80 14766.10  1729.78 15048.84  1748.77  189.908   11.268  191.721   11.283 -1.813019 15.94646 
1 1 1   -1    7   17 o  159.496   7.7379 10358.00  1002.09  9702.01  1392.97 11061.66  1442.69  153.712   11.239  164.237   10.880 -10.52545 15.64240 
1 1 1   -1    7   18 f   83.868   7.9794  2893.68  536.830  2602.57  722.825  3251.75  801.668   78.878   11.635   88.385   11.439 -9.506706 16.31666 
1 1 1   -1    7   19 o  148.431   7.8437  9026.92  941.977  9733.26  1282.69  8200.05  1387.82  153.641   10.342  140.500   12.289 13.14143 16.06162 
1 1 1   -1    7   20 o  129.520   8.1308  6902.35  850.751  6639.53  1156.76  7212.01  1255.60  126.207   11.411  131.432   11.894 -5.225151 16.48330 
1 1 1   -1    7   21 o  226.912   9.3006 21245.07  1713.60 18884.91  2403.46 23685.21  2443.84  211.338   14.087  237.632   12.712 -26.29358 18.97445 
1 1 1   -1    7   22 o   96.530   9.0016  3888.42  697.405  4030.43  876.047  3642.69  1152.37   97.564   11.266   90.743   16.236 6.820953 19.76185 
1 1 1   -1    7   23 o   98.244   9.4649  4062.76  745.687  4071.09  922.141  4047.03  1267.54   97.362   11.913   94.456   17.159 2.905411 20.88910 
1 1 1   -1    7   24 o  154.812   17.179 11022.86  2122.98 10193.00  2828.56 12093.43  3212.70  139.098   26.000  149.882   27.409 -10.78427 37.77888 
1 1 1   -1    7   25 o   24.647   11.119 -175.4125  471.549 -279.8920  519.400  314.524  1124.75   24.845   11.386   41.906   18.095 -17.06129 21.37967 
1 1 1   -1    7   26 o   34.966   13.762  447.482  573.492  447.482  573.492   0.0000   0.0000   34.966   13.762  ?   ?  0.000000 13.76216 
1 1 1   -1    9    1 f  564.928   22.517 130283.00 10328.47 135131.30 17865.84 127849.10 12658.11  571.021   38.763  558.805   27.898 12.21649 47.75797 
1 1 1   -1    9    2 o  487.859   23.927 97176.54  9477.98 101079.10 13423.01 93296.09 13384.86  495.102   33.589  475.268   34.929 19.83380 48.45890 
1 1 1   -1    9    3 o  971.199   46.909 390346.50 36991.23 406833.69 52328.42 373878.19 52298.58  980.401   66.121  937.888   69.163 42.51312 95.68475 
1 1 1   -1    9    4 o  282.279   14.678 32491.46  3352.59 35623.60  4770.65 29435.31  4712.43  295.080   20.030  267.880   21.856 27.19977 29.64583 
1 1 1   -1    9    5 o  655.237   24.875 175058.30 13234.07 183344.59 23021.96 170968.70 16173.38  666.443   42.770  646.796   30.796 19.64679 52.70370 
1 1 1   -1    9    6 o  598.188   23.438 145779.80 11383.87 155058.80 19806.95 141202.80 13911.01  613.639   39.971  588.166   29.129 25.47223 49.45855 
1 1 1   -1    9    7 o  1403.67   67.143 821714.12 76524.70 909920.62 108261.10 733634.31 108183.40  1457.84   91.929  1299.60  103.375 158.2349 138.3380 
1 1 1   -1    9    8 o  896.110   28.815 327771.19 20966.17 332292.00 29651.56 323251.00 29649.72  899.895   40.581  887.436   41.148 12.45898 57.79193 
1 1 1   -1    9    9 o  482.031   16.381 94541.66  6411.23 92942.93  9067.83 96139.70  9065.86  477.388   23.393  485.565   22.994 -8.177521 32.80241 
1 1 1   -1    9   10 o  392.427   13.200 62658.17  4206.06 66462.92  5948.83 58854.84  5947.71  403.773   18.145  379.364   19.373 24.40958 26.54372 
1 1 1   -1    9   11 o  330.446   13.891 44485.78  3727.18 44513.87  4562.34 44429.41  6462.77  329.820   17.095  328.168   24.429 1.651733 29.81622 
1 1 1   -1    9   12 o  519.804   17.661 110445.80  7454.09 111673.30 10540.86 109217.90 10542.49  520.933   24.920  515.094   25.207 5.838867 35.44590 
1 1 1   -1    9   13 o  312.311   10.008 39699.03  2537.77 39533.00  3586.41 39865.52  3591.50  311.261   14.191  312.571   14.151 -1.310699 20.04052 
1 1 1   -1    9   14 o  363.648   12.989 53955.66  3835.33 55631.74  5418.88 52273.25  5429.08  368.387   18.116  356.478   18.823 11.90930 26.12498 
1 1 1   -1    9   15 o   87.297   6.8558  3118.07  482.047  2968.33  635.821  3320.47  739.242   84.862   9.3845   89.680   10.342 -4.818062 13.96486 
1 1 1   -1    9   16 o  169.586   7.5891 11704.33  1045.01 11975.89  1453.72 11413.95  1503.27  171.033   10.519  166.867   11.159 4.165955 15.33557 
1 1 1   -1    9   17 o  143.516   7.4821  8409.97  868.870  8646.04  1222.35  8168.87  1235.29  145.136   10.442  140.987   10.875 4.149582 15.07649 
1 1 1   -1    9   18 f  107.119   7.5764  4702.76  654.720  5243.73  896.226  4083.67  958.761  112.790   9.8859   98.992   12.185 13.79762 15.69119 
1 1 1   -1    9   19 o   89.702   8.1550  3318.83  587.481  3523.21  739.020  2967.92  968.357   92.083   10.047   83.259   14.870 8.823929 17.94571 
1 1 1   -1    9   20 o  230.450   9.6875 21879.59  1812.70 21507.97  2530.46 22271.32  2597.97  226.395   13.832  230.324   13.958 -3.928497 19.65037 
1 1 1   -1    9   21 o  247.486   10.018 25372.14  2013.18 24535.81  2831.84 26226.69  2862.55  240.328   14.581  248.754   14.232 -8.426636 20.37497 
1 1 1   -1    9   22 o  149.134   8.7709  9239.37  1057.41  8739.06  1404.69  9893.60  1606.30  143.531   12.168  152.256   13.121 -8.725372 17.89464 
1 1 1   -1    9   23 o  110.225   9.2919  5109.21  823.866  5093.00  1014.22  5140.67  1412.61  108.999   11.640  106.568   16.888 2.431854 20.51090 
1 1 1   -1    9   24 o  104.341   9.5612  4638.19  801.029  4763.37  1019.48  4436.23  1294.95  104.210   12.285   97.387   16.994 6.822426 20.96943 
1 1 1   -1    9   25 o   65.196   13.138  1967.65  671.460  1458.09  765.278  3672.05  1399.61   54.565   16.141   82.791   20.836 -28.22619 26.35693 
1 1 1   -1    9   26 o   32.706   12.864  385.149  500.790  385.149  500.790   0.0000   0.0000   32.706   12.864  ?   ?  0.000000 12.86434 
1 1 1   -1   11    1 o  944.648   37.146 366142.59 28491.63 362160.00 49339.70 368135.09 34898.25  926.927   65.987  944.728   45.494 -17.80145 80.15000 
1 1 1   -1   11    3 o  1219.53   86.864 638206.38 85451.92 638206.38 85451.92   0.0000   0.0000  1219.53   86.864  ?   ?  0.000000 86.86389 
1 1 1   -1   11    4 o  538.260   26.348 118158.80 11515.51 113334.40 16312.88 122950.80 16258.04  524.425   38.581  546.680   36.841 -22.25555 53.34559 
1 1 1   -1   11    5 o  811.252   56.300 273605.81 36855.80   0.0000   0.0000 273605.81 36855.80  ?   ?   811.252   56.300 0.000000 56.30000 
1 1 1   -1   11    6 o  378.516   18.850 58291.34  5793.28 61378.25  8247.40 55284.63  8139.55  387.124   26.395  367.167   27.502 19.95740 38.11923 
1 1 1   -1   11    7 o  359.689   14.496 52596.67  4233.55 57228.05  7458.98 50395.65  5142.04  373.897   24.708  351.487   18.078 22.40958 30.61596 
1 1 1   -1   11    8 o  749.189   30.356 229567.09 18466.21 220834.09 32099.17 233887.00 22576.14  726.862   54.791  754.891   36.832 -28.02850 66.02006 
1 1 1   -1   11    9 o  387.580   29.997 61981.28  9366.56   0.0000   0.0000 61981.28  9366.56  ?   ?   387.580   29.997 0.000000 29.99682 
1 1 1   -1   11   10 o  706.056   34.870 206491.91 19990.82 197761.30 28366.47 215106.30 28177.06  681.245   51.667  712.288   49.018 -31.04297 71.21922 
1 1 1   -1   11   11 o  634.663   25.302 165725.41 13038.76 164426.20 22703.21 166364.80 15927.44  621.731   45.284  633.806   30.949 -12.07434 54.84956 
1 1 1   -1   11   12 o  256.984   10.161 26877.53  2120.24 28894.17  3004.27 24876.37  2992.72  265.798   13.969  246.422   15.029 19.37607 20.51853 
1 1 1   -1   11   13 o  267.883   10.085 29215.59  2193.53 29600.79  3105.75 28832.19  3098.49  268.893   14.276  265.344   14.436 3.549194 20.30261 
1 1 1   -1   11   14 o  261.471   10.331 27851.93  2193.27 31203.32  3106.59 24521.37  3096.92  276.026   13.906  244.298   15.696 31.72835 20.96950 
1 1 1   -1   11   15 o  367.613   13.208 55232.72  3942.40 55224.34  5579.98 55241.08  5570.81  365.857   18.848  365.924   18.813 -0.6680298E-01 26.63029 
1 1 1   -1   11   16 o  313.377   11.465 40114.78  2917.40 40793.10  4129.52 39438.88  4122.15  314.653   16.218  309.300   16.473 5.352417 23.11705 
1 1 1   -1   11   17 f  269.481   10.836 29701.12  2371.07 29763.88  3346.13 29637.81  3360.31  268.332   15.423  267.730   15.524 0.6017151 21.88303 
1 1 1   -1   11   18 o   57.949   8.5033  1401.31  388.205  1308.01  466.118  1612.55  701.362   55.543   10.724   61.231   14.356 -5.688206 17.91924 
1 1 1   -1   11   19 o  114.098   7.8526  5353.44  723.063  5912.13  975.267  4671.48  1077.49  119.440   10.153  105.380   12.859 14.05967 16.38402 
1 1 1   -1   11   20 f  143.255   8.3855  8460.82  971.132  9273.42  1300.12  7435.17  1460.63  149.268   10.800  132.525   13.775 16.74275 17.50415 
1 1 1   -1   11   21 o  210.122   9.2673 18264.56  1581.11 17044.26  2180.88 19616.63  2295.60  200.519   13.473  215.359   13.191 -14.83974 18.85569 
1 1 1   -1   11   22 o   63.986   9.7831  1742.88  492.132  2101.87  572.453  726.049  963.424   70.214   10.351   46.614   17.982 23.60086 20.74832 
1 1 1   -1   11   23 o   58.988   11.967  1534.29  553.594  1373.62  642.185  1999.10  1092.27   55.107   14.247   64.850   19.307 -9.742744 23.99456 
1 1 1   -1   11   24 o   63.969   11.407  1813.61  570.771  1254.66  652.020  3646.44  1180.70   51.933   14.764   87.392   17.251 -35.45927 22.70658 
1 1 1   -1   11   25 o   41.191   12.807  782.682  473.723  750.024  497.803  1095.96  1541.78   40.502   13.192   51.019   21.583 -10.51653 25.29506 
1 1 1   -1   13    1 o  319.846   13.715 41581.67  3561.81 36800.58  6170.83 43970.37  4361.75  299.373   25.633  328.823   16.337 -29.45032 30.39636 
1 1 1   -1   13    2 o  965.326   46.630 383393.81 36549.48 370659.59 51711.69 396105.50 51665.89  939.840   68.229  972.803   65.796 -32.96265 94.78561 
1 1 1   -1   13    3 o  863.432   41.360 305777.91 28996.49 329091.19 41041.67 282542.69 40972.88  889.935   57.099  822.690   61.788 67.24518 84.13116 
1 1 1   -1   13    5 o  998.551   47.599 410511.09 38592.51 445470.69 54627.02 375676.50 54529.21  1031.90   65.538  944.545   71.633 87.35303 97.09006 
1 1 1   -1   13    6 o  1309.56   62.857 715358.38 66837.70 769247.81 94585.02 661610.50 94460.66  1338.96   87.480  1235.56   94.881 103.4061 129.0550 
1 1 1   -1   13    7 o  693.373   26.907 196406.50 15148.37 213298.00 26400.76 188115.91 18496.05  717.043   45.582  677.396   33.628 39.64679 56.64409 
1 1 1   -1   13    8 o  483.111   19.752 95202.45  7748.05 98920.65 13586.86 93410.61  9432.00  488.957   34.442  477.340   24.417 11.61694 42.21943 
1 1 1   -1   13    9 o  1074.57   56.308 494525.59 48958.26 445419.50 69396.17 543184.88 69079.78  984.085   87.770  1100.90   77.780 -116.8170 117.2746 
1 1 1   -1   13   10 o  417.886   16.594 71298.09  5630.37 78532.41  9921.26 67861.33  6838.21  435.394   28.216  406.522   20.786 28.87241 35.04553 
1 1 1   -1   13   11 o  494.094   19.583 99992.68  7856.26 106287.90 13767.14 96952.70  9566.91  503.980   33.839  484.767   24.383 19.21295 41.70876 
1 1 1   -1   13   12 o  259.570   11.114 27443.13  2342.48 32409.44  4229.43 25245.59  2813.40  280.647   18.667  248.333   14.010 32.31392 23.33928 
1 1 1   -1   13   13 o  584.548   23.602 141098.20 11202.37 140799.70 19595.48 141243.09 13653.50  571.927   42.500  582.420   28.872 -10.49213 51.37931 
1 1 1   -1   13   14 o  194.222   7.8571 15348.65  1239.08 15019.60  1749.02 15680.19  1755.65  191.573   11.294  195.783   11.090 -4.209961 15.82821 
1 1 1   -1   13   15 f   23.148   9.3176   96.698  268.750   78.983  316.742  142.234  507.819   24.412   10.008   31.116   12.704 -6.703779 16.17240 
1 1 1   -1   13   16 o  211.391   9.0243 18222.24  1548.96 18631.68  2184.26 17808.04  2196.91  212.925   12.692  208.072   13.070 4.852509 18.21806 
1 1 1   -1   13   17 o  125.874   6.9144  6475.87  703.984  5836.48  985.386  7142.42  1006.10  118.972   10.302  131.844   9.4611 -12.87193 13.98743 
1 1 1   -1   13   18 o  101.195   7.4850  4206.51  610.651  4441.45  810.573  3898.17  928.589  103.589   9.7518   96.462   12.124 7.126343 15.55883 
1 1 1   -1   13   19 f  112.927   7.3990  5242.09  674.684  4362.03  875.122  6531.70  1059.35  102.243   10.700  125.378   10.503 -23.13527 14.99310 
1 1 1   -1   13   20 o   79.713   8.5361  2644.50  543.906  2478.40  621.361  3188.90  1124.94   76.727   10.229   85.013   16.892 -8.286201 19.74770 
1 1 1   -1   13   21 o  136.347   8.2670  7700.31  910.910  7919.42  1204.54  7407.62  1392.18  137.293   10.895  131.729   13.193 5.564117 17.11021 
1 1 1   -1   13   22 o   93.599   8.5118  3665.54  639.817  3887.65  775.250  3191.08  1133.04   95.845   10.115   83.588   17.266 12.25640 20.01010 
1 1 1   -1   13   23 o  110.702   9.0674  5176.57  807.883  4833.22  998.198  5828.54  1375.50  105.513   11.857  113.686   15.289 -8.173309 19.34729 
1 1 1   -1   13   24 o   52.219   11.870  1237.72  491.865  1324.62  517.185  414.806  1591.49   53.961   12.102   47.808   21.066 6.153637 24.29447 
1 1 1   -1   15    1 o  1136.21   55.102 533818.81 50835.29   0.0000   0.0000 533818.81 50835.29  ?   ?   1136.21   55.102 0.000000 55.10217 
1 1 1   -1   15    2 o  917.883   44.827 346325.31 33409.47   0.0000   0.0000 346325.31 33409.47  ?   ?   917.883   44.827 0.000000 44.82743 
1 1 1   -1   15    3 o  877.410   42.282 316185.50 30123.16 325373.81 42640.73 307031.81 42560.55  883.116   59.819  857.072   61.568 26.04419 85.84233 
1 1 1   -1   15    4 o  1249.98   60.794 650997.81 61701.88 649656.12 87315.86 652335.88 87203.50  1228.90   88.090  1231.70   87.769 -2.799072 124.3514 
1 1 1   -1   15    5 o  971.442   46.638 390027.50 36787.15 416811.09 52086.07 363369.31 51963.92  994.170   64.880  925.340   69.672 68.83051 95.20319 
1 1 1   -1   15    6 o  670.806   31.897 184656.09 17373.25 212642.59 24643.17 157001.91 24496.47  715.668   42.601  612.034   49.723 103.6339 65.47686 
1 1 1   -1   15    7 o  423.875   17.684 73258.52  6086.29 75574.77 10746.15 72164.63  7384.92  427.500   31.173  419.685   21.746 7.814972 38.00862 
1 1 1   -1   15    8 o  980.747   46.540 405500.50 37061.19 431898.59 52627.33 379529.09 52200.16  992.477   65.677  925.553   69.977 66.92377 95.96981 
1 1 1   -1   15    9 o  327.682   12.740 43740.29  3389.77 52302.64  6082.89 39883.68  4082.41  356.670   21.098  312.171   16.161 44.49829 26.57654 
1 1 1   -1   15   10 o  170.336   8.8382 11832.29  1218.18 11507.13  2344.21 11952.58  1425.81  166.858   17.566  171.064   10.313 -4.206146 20.37024 
1 1 1   -1   15   11 o  370.224   15.943 56016.31  4792.75 50107.61  8538.66 58734.17  5791.06  345.810   30.730  378.604   18.838 -32.79419 36.04448 
1 1 1   -1   15   12 o  145.038   8.4534  8587.54  991.208  7911.79  2017.08  8802.68  1138.10  137.698   18.510  146.734   9.6054 -9.036789 20.85354 
1 1 1   -1   15   13 o  366.016   15.536 54845.96  4617.13 51486.05  8260.32 56372.68  5568.18  349.783   29.356  370.427   18.513 -20.64410 34.70576 
1 1 1   -1   15   14 o  356.651   15.232 52130.26  4411.14 49620.13  7921.99 53258.27  5310.58  342.796   28.727  359.309   18.263 -16.51379 34.04033 
1 1 1   -1   15   15 o  492.896   20.083 100623.70  8037.41 105415.10 14228.32 98378.20  9740.34  492.950   35.792  484.251   24.856 8.698273 43.57611 
1 1 1   -1   15   16 o  281.601   12.423 32533.73  2840.58 39810.61  5331.07 29648.60  3356.80  307.656   21.476  267.620   15.514 40.03613 26.49335 
1 1 1   -1   15   17 o  213.131   10.801 18703.29  1863.13 22649.08  3739.81 17400.67  2148.77  230.772   20.161  204.915   12.982 25.85735 23.97880 
1 1 1   -1   15   18 o  104.896   10.249  4572.21  861.765  6959.66  2187.81  4133.77  937.562  125.210   22.339   99.294   11.864 25.91595 25.29375 
1 1 1   -1   15   19 o  159.176   8.1979 10432.82  1055.94 11096.74  1475.21  9735.25  1512.13  163.201   11.200  152.399   12.325 10.80185 16.65419 
1 1 1   -1   15   20 o  141.301   11.511  8390.14  1309.23 12065.88  3336.76  7721.30  1423.36  159.182   26.766  134.812   13.171 24.36961 29.83142 
1 1 1   -1   15   21 o  203.980   12.999 17742.13  2141.72 17051.30  4686.26 17924.52  2407.89  178.142   33.631  203.723   14.654 -25.58092 36.68514 
1 1 1   -1   15   22 o   56.748   11.006  1405.12  488.832  1552.37  561.555  944.485  993.213   59.361   12.062   49.231   18.426 10.12918 22.02307 
1 1 1   -1   15   23 o   55.143   19.234  1425.29  1058.29   0.0000   0.0000  1425.29  1058.29  ?   ?    55.143   19.234 0.000000 19.23384 
1 1 1   -1   15   24 o   88.488   9.6591  3409.84  682.730  2516.61  753.048  7533.72  1618.06   73.877   13.030  124.979   16.336 -51.10125 20.89587 
1 1 1   -1   17    1 o  315.269   13.923 40418.72  3564.06 39387.70  6211.87 40924.67  4351.55  309.680   24.915  316.658   16.986 -6.977722 30.15458 
1 1 1   -1   17    2 o  895.292   35.616 329141.91 25890.67 335452.31 44854.83 325989.00 31705.62  891.531   62.356  888.367   43.955 3.163147 76.29078 
1 1 1   -1   17    3 o  771.611   37.764 245205.00 23659.74 238093.70 33519.29 252266.09 33400.88  752.433   55.251  775.491   53.370 -23.05829 76.81760 
1 1 1   -1   17    4 o  477.604   23.726 93221.31  9201.08 99850.67 13082.20 86731.79 12943.49  491.731   32.956  457.608   35.103 34.12289 48.14878 
1 1 1   -1   17    5 o  167.171   11.504 11420.38  1552.06 10245.41  2298.67 12404.86  2104.10  157.438   18.324  173.878   15.052 -16.43980 23.71376 
1 1 1   -1   17    6 o  369.441   19.176 55903.14  5732.42 57237.65  8205.84 54631.11  8011.40  372.166   27.346  363.550   27.340 8.616791 38.66907 
1 1 1   -1   17    7 o  774.034   56.627 259712.59 35342.38 259712.59 35342.38   0.0000   0.0000  774.034   56.627  ?   ?  0.000000 56.62683 
1 1 1   -1   17    8 o  579.900   21.502 137891.80 10124.33 153347.20 17794.34 130493.70 12311.27  604.977   36.394  562.539   26.953 42.43726 45.28804 
1 1 1   -1   17    9 o  303.424   11.262 37490.37  2774.58 49814.83  5089.79 32279.50  3309.56  348.481   18.050  280.894   14.561 67.58722 23.19076 
1 1 1   -1   17   10 o  543.002   20.806 121083.70  9173.13 133788.91 16176.31 115061.50 11136.92  563.664   35.526  527.643   25.995 36.02075 44.02093 
1 1 1   -1   17   11 o  539.395   21.266 119732.60  9314.00 126510.90 16435.25 116525.80 11304.53  545.758   37.312  530.253   26.256 15.50476 45.62431 
1 1 1   -1   17   12 o  278.919   11.308 31723.64  2561.00 47381.08  4783.44 25432.23  3032.17  339.414   17.416  248.863   15.077 90.55051 23.03502 
1 1 1   -1   17   13 o  260.145   11.805 27628.70  2493.59 27891.28  4682.65 27524.77  2946.04  258.569   22.529  258.982   14.063 -0.4129639 26.55753 
1 1 1   -1   17   14 o  652.911   26.249 178810.30 13915.70 187205.00 24466.90 174796.30 16918.67  644.333   47.092  639.195   32.708 5.138794 57.33652 
1 1 1   -1   17   15 o   74.465   10.458  2310.22  614.898  1937.40  1403.86  2398.72  684.000   68.735   22.134   75.716   11.486 -6.980255 24.93699 
1 1 1   -1   17   16 o  249.508   11.927 25603.21  2416.41 25813.09  4710.28 25528.24  2815.07  244.796   24.006  248.159   14.028 -3.363144 27.80467 
1 1 1   -1   17   17 o  100.120   10.489  4168.88  840.063  1378.69  2346.87  4578.92  899.674   69.358   27.668  104.925   10.710 -35.56718 29.66816 
1 1 1   -1   17   18 o  135.220   10.309  7590.81  1123.36  7837.20  2859.49  7545.84  1221.58  129.106   28.077  134.524   11.288 -5.417526 30.26130 
1 1 1   -1   17   19 o  124.623   12.213  6549.53  1219.98  7067.54  2935.28  6441.36  1341.33  119.323   30.254  123.013   13.660 -3.690987 33.19455 
1 1 1   -1   17   20 o   55.259   17.544  1335.02  884.398  5419.56  2218.25  563.050  964.357  105.082   26.113   44.809   17.779 60.27277 31.59097 
1 1 1   -1   17   21 o   75.465   16.805  2601.56  1003.31  1822.44  3089.79  2693.40  1060.79   71.430   30.399   76.514   17.460 -5.084145 35.05677 
1 1 1   -1   17   22 o   59.512   21.760  1631.76  1370.94   0.0000   0.0000  1631.76  1370.94  ?   ?    59.512   21.760 0.000000 21.76026 
1 1 1   -1   17   23 o   57.259   21.703  1611.04  1387.57   0.0000   0.0000  1611.04  1387.57  ?   ?    57.259   21.703 0.000000 21.70324 
1 1 1   -1   17   24 o   84.936   24.589  4565.05  1793.06   0.0000   0.0000  4565.05  1793.06  ?   ?    84.936   24.589 0.000000 24.58913 
1 1 1   -1   19    1 o  455.836   18.943 84815.82  7011.35 88586.88 12220.28 82965.25  8560.53  462.277   32.769  449.578   23.533 12.69962 40.34345 
1 1 1   -1   19    2 o  283.717   13.124 32769.20  3023.34 35889.48  5284.19 31250.68  3686.32  295.354   22.196  276.359   16.503 18.99503 27.65937 
1 1 1   -1   19    3 o  391.905   16.948 62661.90  5393.13 76468.45  9355.49 55790.20  6600.17  430.526   26.897  368.504   22.162 62.02216 34.85112 
1 1 1   -1   19    4 o  721.626   35.776 216472.91 20962.73 215327.80 29735.78 217604.20 29556.57  708.945   52.020  713.145   51.388 -4.200073 73.12164 
1 1 1   -1   19    5 f  306.536   24.649 38855.95  6083.19 38855.95  6083.19   0.0000   0.0000  306.536   24.649  ?   ?  0.000000 24.64898 
1 1 1   -1   19    6 o  291.829   16.202 34875.82  3824.08 36457.85  5531.89 33427.92  5292.21  297.099   23.113  284.409   23.117 12.69019 32.68979 
1 1 1   -1   19    7 o  325.644   17.344 43472.15  4569.37 47720.66  6604.54 39571.46  6328.41  339.750   24.098  308.892   25.459 30.85760 35.05473 
1 1 1   -1   19    8 o  243.777   13.982 24324.13  2755.94 28993.22  4055.48 20317.82  3756.63  265.379   18.945  221.489   21.145 43.89003 28.39106 
1 1 1   -1   19    9 f  136.183   8.4086  7572.78  925.237  6575.23  1929.79  7870.53  1054.32  125.132   19.640  138.746   9.4144 -13.61347 21.77986 
1 1 1   -1   19   10 o  257.591   11.627 27052.29  2431.80 25528.44  4598.20 27644.00  2865.29  247.670   23.133  259.838   13.628 -12.16823 26.84911 
1 1 1   -1   19   11 o  268.627   13.116 29474.70  2860.87 22982.28  5366.12 32052.86  3381.52  232.847   29.012  279.486   14.955 -46.63916 32.63962 
1 1 1   -1   19   12 o  215.073   10.844 18916.22  1887.61 18041.36  3711.48 19221.46  2192.31  207.579   22.374  216.547   12.522 -8.967545 25.63963 
1 1 1   -1   19   13 o  173.614   9.5557 12327.79  1341.86 12450.29  2849.02 12292.87  1521.15  172.160   20.803  173.180   10.873 -1.019501 23.47293 
1 1 1   -1   19   14 o  150.611   9.2455  9292.70  1125.18  8735.67  2410.49  9447.89  1272.29  143.222   21.383  151.690   10.392 -8.467972 23.77464 
1 1 1   -1   19   15 o  123.164   9.4937  6243.35  942.096  9247.71  2728.31  5836.63  1003.84  145.690   23.892  118.874   10.508 26.81564 26.10072 
1 1 1   -1   19   16 o   76.054   11.741  2439.91  701.696  218.682  2462.38  2636.23  732.049   62.582   26.898   79.112   11.753 -16.53070 29.35363 
1 1 1   -1   19   17 o   67.655   13.734  1975.83  728.718 -296.4249  2199.65  2255.97  772.332   55.761   24.658   72.430   13.633 -16.66889 28.17538 
1 1 1   -1   19   18 o   69.267   14.504  2093.96  789.561 -1396.9410  2680.42  2425.64  826.219   55.208   25.505   74.791   14.123 -19.58292 29.15452 
1 1 1   -1   19   19 o  113.483   11.863  5452.44  1076.98 11117.33  3258.07  4757.52  1141.12  151.344   27.527  105.215   13.681 46.12960 30.73916 
1 1 1   -1   19   20 o  206.735   17.683 19040.45  2939.68 17201.98  5151.75 19928.08  3579.67  171.444   38.006  207.159   21.599 -35.71474 43.71440 
1 1 1   -1   19   21 o  112.617   18.198  5880.82  1607.33  8857.17  3419.41  5036.65  1821.06  121.215   33.584  100.512   22.833 20.70287 40.61095 
1 1 1   -1   19   22 o   40.749   17.142  353.896  963.846   0.0000   0.0000  353.896  963.846  ?   ?    40.749   17.142 0.000000 17.14187 
1 1 1   -1   19   23 o   60.752   23.047  2093.02  1565.54   0.0000   0.0000  2093.02  1565.54  ?   ?    60.752   23.047 0.000000 23.04689 
1 1 1   -1   21    1 o  255.921   15.624 26823.93  3231.04   0.0000   0.0000 26823.93  3231.04  ?   ?   255.921   15.624 0.000000 15.62368 
1 1 1   -1   21    2 f  188.832   19.746 14751.19  2982.78 14751.19  2982.78   0.0000   0.0000  188.832   19.746  ?   ?  0.000000 19.74595 
1 1 1   -1   21    3 o  662.635   49.008 188463.00 26181.09 188463.00 26181.09   0.0000   0.0000  662.635   49.008  ?   ?  0.000000 49.00802 
1 1 1   -1   21    4 o   94.774   12.447  3721.77  934.688  2470.90  1414.15  4692.13  1245.54   76.625   21.729  106.227   14.846 -29.60133 26.31660 
1 1 1   -1   21    5 o  149.891   12.303  9215.38  1484.12  9243.43  2230.82  9193.10  1987.86  149.105   18.847  149.068   16.711 0.3727722E-01 25.18874 
1 1 1   -1   21    6 o  387.812   20.827 61906.73  6534.18 59358.09  9408.48 64281.39  9081.65  376.582   31.046  392.832   28.670 -16.25024 42.25924 
1 1 1   -1   21    7 o  435.599   23.192 78388.18  8173.41 72679.55 11747.51 83744.44 11379.18  414.732   35.218  447.055   31.551 -32.32361 47.28388 
1 1 1   -1   21    8 o  297.163   17.084 36282.84  4104.78 34624.23  6013.42 37729.93  5616.92  288.013   25.994  301.587   23.113 -13.57419 34.78412 
1 1 1   -1   21    9 f  497.974   20.081 102031.80  8119.55 99448.34 14495.87 103213.00  9801.42  482.607   37.281  499.359   24.173 -16.75140 44.43263 
1 1 1   -1   21   10 o  323.246   15.490 42800.75  4065.59 35117.48  7517.17 45977.37  4833.52  286.732   32.882  334.074   17.884 -47.34167 37.43102 
1 1 1   -1   21   11 o  479.813   19.748 95010.60  7693.73 91382.54 13815.90 96641.43  9262.90  459.806   37.328  482.211   23.658 -22.40475 44.19326 
1 1 1   -1   21   12 o   75.830   8.8583  2375.33  535.141  297.494  1668.35  2613.63  564.995   54.407   22.697   79.587   8.8952 -25.17996 24.37768 
1 1 1   -1   21   13 o  165.542   8.8934 11214.83  1191.02 16517.30  2737.36  9976.61  1322.79  199.122   17.096  155.852   10.514 43.27002 20.07089 
1 1 1   -1   21   14 o  227.962   11.046 21329.00  2044.66 29195.57  4531.19 19317.69  2291.19  262.015   21.488  216.089   13.120 45.92606 25.17660 
1 1 1   -1   21   15 o  448.298   19.346 85239.20  7041.91 94126.16 12971.13 81525.37  8385.19  447.281   36.021  433.006   23.943 14.27499 43.25226 
1 1 1   -1   21   16 o  220.151   11.799 20139.25  2101.47 24039.67  4767.88 19198.85  2341.14  231.076   25.855  214.161   13.533 16.91478 29.18224 
1 1 1   -1   21   17 o   80.379   14.815  2804.57  931.274  3102.68  3074.83  2774.46  977.170   85.003   32.287   79.661   15.666 5.341515 35.88636 
1 1 1   -1   21   18 f  143.792   16.223  8979.86  1861.01  9905.30  3571.55  8634.95  2180.40  138.842   32.291  138.765   19.923 0.7701111E-01 37.94247 
1 1 1   -1   21   19 o  171.649   17.459 13072.27  2399.44 13313.47  4763.44 12990.26  2777.56  149.609   38.863  168.255   20.772 -18.64682 44.06575 
1 1 1   -1   21   20 o   58.676   18.194  1586.83  956.799 -1171.4890  3972.31  1756.72  985.824   62.967   29.720   61.417   18.355 1.549950 34.93105 
1 1 1   -1   21   21 o   55.914   19.345  1463.19  1069.55   0.0000   0.0000  1463.19  1069.55  ?   ?    55.914   19.345 0.000000 19.34524 
1 1 1   -1   21   22 o   59.244   22.865  1843.78  1558.41   0.0000   0.0000  1843.78  1558.41  ?   ?    59.244   22.865 0.000000 22.86532 
1 1 1   -1   23    1 o  370.462   20.348 56463.57  6097.35   0.0000   0.0000 56463.57  6097.35  ?   ?   370.462   20.348 0.000000 20.34824 
1 1 1   -1   23    2 o  400.820   17.668 65746.57  5749.95 61144.24 10080.90 67965.88  7000.35  381.537   32.861  406.262   21.296 -24.72531 39.15805 
1 1 1   -1   23    3 o  358.141   16.047 52428.00  4666.57 54287.42  8168.55 51527.13  5685.73  360.903   28.096  353.874   19.868 7.029846 34.41165 
1 1 1   -1   23    4 o  167.029   11.560 11421.97  1558.17  9381.90  2727.61 12410.22  1898.42  149.212   23.273  173.878   13.554 -24.66605 26.93170 
1 1 1   -1   23    5 o  128.134   12.732  6762.20  1307.12  6437.97  2046.29  6985.70  1698.90  123.450   21.177  129.640   16.514 -6.190155 26.85491 
1 1 1   -1   23    6 o  438.432   23.332 79573.48  8276.28 78919.65 11919.46 80182.19 11500.62  431.867   34.273  436.102   32.717 -4.234741 47.38172 
1 1 1   -1   23    7 f  306.354   17.773 38632.38  4402.15 38481.61  6481.38 38761.50  5997.85  303.211   26.595  305.030   24.421 -1.818970 36.10654 
1 1 1   -1   23    8 o  466.965   25.061 90809.52  9467.57 86039.12 13678.25 95196.93 13117.68  447.279   38.024  472.986   34.392 -25.70673 51.26965 
1 1 1   -1   23    9 o  221.579   14.422 20183.73  2580.60 25000.60  3984.80 16704.25  3386.74  245.346   20.182  199.974   21.180 45.37274 29.25584 
1 1 1   -1   23   10 o   69.103   8.7226  1976.05  478.514  2045.67  1491.82  1968.07  505.209   70.922   22.815   68.876   9.2690 2.046112 24.62567 
1 1 1   -1   23   11 o  209.270   11.710 17970.69  1981.77 13196.26  4063.78 19460.44  2270.00  173.902   29.855  217.553   12.908 -43.65138 32.52612 
1 1 1   -1   23   12 o  160.410   9.6905 10555.24  1256.24  9366.82  2963.11 10815.66  1387.06  146.510   25.853  162.223   10.588 -15.71309 27.93753 
1 1 1   -1   23   13 o   90.832   8.9335  3407.15  650.348  890.864  2363.74  3613.23  676.456   66.605   27.326   93.550   9.0172 -26.94440 28.77508 
1 1 1   -1   23   14 o   21.437   9.8916 -315.3872  401.363  5455.20  2594.14 -456.9112  406.255  108.456   28.926   20.139   9.5051 88.31682 30.44770 
1 1 1   -1   23   15 o   59.357   18.184  1515.15  958.984 -1345.1420  2942.39  1855.09  1014.37   59.099   27.090   65.008   18.392 -5.909081 32.74383 
1 1 1   -1   23   16 o  145.602   15.167  9052.90  1766.79 11906.94  3982.76  8353.65  1971.38  154.927   32.688  138.466   17.957 16.46082 37.29581 
1 1 1   -1   23   17 f  109.777   11.978  5101.50  1050.36 11903.68  3853.19  4555.47  1091.70  153.105   32.024  103.159   13.346 49.94653 34.69424 
1 1 1   -1   23   18 o   25.293   12.294 -1307.8571  799.966 -2181.7090  2874.42 -1234.4919  832.870   52.707   24.997   26.466   12.788 26.24139 28.07834 
1 1 1   -1   23   19 o  104.509   14.025  4795.23  1160.12 -2016.4110  4599.54  5258.00  1198.88   64.706   30.948  109.643   13.770 -44.93722 33.87363 
1 1 1   -1   23   20 o   25.135   12.158 -1094.3380  758.065   0.0000   0.0000 -1094.3380  758.065  ?   ?    25.135   12.158 0.000000 12.15823 
1 1 1   -1   23   21 o   84.604   17.554  3503.60  1166.37   0.0000   0.0000  3503.60  1166.37  ?   ?    84.604   17.554 0.000000 17.55404 
1 1 1   -1   23   22 o   74.344   27.425  4068.19  2184.58   0.0000   0.0000  4068.19  2184.58  ?   ?    74.344   27.425 0.000000 27.42504 
1 1 1   -1   25    1 o  114.260   14.909  5425.56  1350.25   0.0000   0.0000  5425.56  1350.25  ?   ?   114.260   14.909 0.000000 14.90931 
1 1 1   -1   25    2 o  432.975   19.327 77014.41  6794.63 68269.58 11982.14 81159.20  8249.17  399.779   37.345  442.819   23.022 -43.03952 43.87124 
1 1 1   -1   25    3 o  116.296   12.533  5582.10  1164.76  7215.18  2058.66  4813.20  1412.59  131.019   19.984  107.138   16.790 23.88065 26.10077 
1 1 1   -1   25    4 f  401.087   18.554 66080.05  6042.54 63198.73 10565.10 67480.73  7366.25  385.632   34.093  403.597   22.569 -17.96436 40.88570 
1 1 1   -1   25    5 o  230.040   13.583 21700.93  2525.76 23621.33  4375.35 20741.13  3093.19  237.928   22.932  224.212   17.120 13.71559 28.61761 
1 1 1   -1   25    6 o  178.669   14.404 13146.02  2071.90 12928.37  3157.19 13310.67  2745.89  175.349   22.708  178.820   19.213 -3.470657 29.74545 
1 1 1   -1   25    7 o  506.202   26.806 107412.10 10978.35 108979.60 15869.67 105973.60 15203.23  500.973   39.330  494.947   38.124 6.026764 54.77441 
1 1 1   -1   25    8 o  187.977   14.983 14584.32  2267.82 13574.89  3606.96 15244.23  2916.37  178.508   25.620  191.273   19.031 -12.76572 31.91467 
1 1 1   -1   25    9 o  133.290   14.547  7378.90  1548.80  7901.81  2638.51  7103.99  1913.07  135.302   24.936  129.805   18.690 5.496597 31.16246 
1 1 1   -1   25   10 o  158.216   10.004 10270.46  1278.52  7235.51  3179.76 10855.74  1396.37  127.092   31.073  162.570   10.637 -35.47839 32.84340 
1 1 1   -1   25   11 o  190.919   10.690 14988.24  1650.49 13622.90  3852.78 15295.12  1826.58  175.668   27.947  192.621   11.735 -16.95329 30.31111 
1 1 1   -1   25   12 o   82.331   18.183  2954.24  1183.10  2616.47  2764.42  3029.98  1309.05   82.801   30.790   83.077   19.704 -0.2765808 36.55487 
1 1 1   -1   25   13 o   75.743   18.507  2526.77  1128.52  450.068  2988.80  2872.07  1218.73   68.934   29.631   80.694   18.928 -11.75963 35.16061 
1 1 1   -1   25   14 o  136.140   16.240  7933.93  1759.71  6994.96  3877.76  8177.44  1974.75  117.331   36.668  137.389   18.146 -20.05805 40.91271 
1 1 1   -1   25   15 o  149.747   10.482  9335.16  1266.50 14239.85  4205.60  8845.99  1328.16  170.509   31.538  145.447   11.336 25.06183 33.51370 
1 1 1   -1   25   16 o  181.569   11.459 13829.84  1680.68 18723.30  4967.12 13197.17  1786.03  191.358   33.170  176.800   12.522 14.55859 35.45531 
1 1 1   -1   25   17 o   54.454   17.389  1301.44  867.870  1722.91  4140.06  1282.06  887.592   77.576   34.085   54.212   17.613 23.36420 38.36717 
1 1 1   -1   25   18 o   75.883   16.193  2622.12  967.327  8858.58  4758.18  2353.25  987.958  111.951   40.599   71.354   17.244 40.59707 44.10954 
1 1 1   -1   25   19 o   84.011   16.957  3299.01  1116.81   0.0000   0.0000  3299.01  1116.81  ?   ?    84.011   16.957 0.000000 16.95660 
1 1 1   -1   25   20 o   45.075   18.125  723.282  1015.78   0.0000   0.0000  723.282  1015.78  ?   ?    45.075   18.125 0.000000 18.12475 
1 1 1   -1   25   21 o   55.014   22.797  1576.59  1667.18   0.0000   0.0000  1576.59  1667.18  ?   ?    55.014   22.797 0.000000 22.79734 
1 1 1   -1   27    1 o  399.595   22.796 66351.94  7365.69   0.0000   0.0000 66351.94  7365.69  ?   ?   399.595   22.796 0.000000 22.79603 
1 1 1   -1   27    2 o  292.812   18.696 35433.15  4421.91   0.0000   0.0000 35433.15  4421.91  ?   ?   292.812   18.696 0.000000 18.69628 
1 1 1   -1   27    3 o  198.323   13.699 16166.99  2192.51 16065.79  3990.90 16210.73  2623.96  194.684   25.888  198.054   16.466 -3.369690 30.68127 
1 1 1   -1   27    4 o   48.428   17.208  833.738  849.977  3006.22  1790.41  201.649  965.745   84.124   24.634   41.994   17.372 42.13021 30.14311 
1 1 1   -1   27    5 o  355.020   17.665 51916.71  5092.09 53602.68  8960.55 51112.55  6188.46  354.035   31.500  350.289   21.867 3.746460 38.34613 
1 1 1   -1   27    6 o  383.762   18.223 60813.49  5678.24 51982.32  9902.75 65139.37  6930.81  345.091   35.865  395.251   21.679 -50.16037 41.90808 
1 1 1   -1   27    7 o  311.375   19.569 40395.19  4922.51 38728.34  7426.24 41701.55  6574.31  299.180   31.021  313.338   26.077 -14.15750 40.52561 
1 1 1   -1   27    8 o   74.519   17.904  2394.82  1069.78 -442.5150  2197.24  3276.35  1224.74   56.310   24.784   87.350   17.870 -31.04016 30.55504 
1 1 1   -1   27    9 o  268.912   17.696 30264.05  3842.39 32945.45  6045.45 28446.70  4976.99  275.042   27.436  257.428   24.091 17.61395 36.51191 
1 1 1   -1   27   10 o  104.661   17.615  4703.31  1443.76  8617.13  2898.30  3411.58  1665.06  138.715   26.701   87.676   23.075 51.03964 35.29057 
1 1 1   -1   27   11 o  183.476   16.198 14212.04  2388.40 13300.29  4270.76 14626.97  2881.05  168.350   32.419  184.594   19.518 -16.24362 37.84119 
1 1 1   -1   27   12 o  167.790   10.345 11650.19  1402.57 10624.45  4362.17 11768.46  1481.22  145.386   36.892  168.473   10.886 -23.08673 38.46447 
1 1 1   -1   27   13 o   52.583   12.804  1198.49  541.577  7326.57  3324.64  1031.44  548.909  121.265   32.920   48.875   13.422 72.38976 35.55096 
1 1 1   -1   27   14 o  111.655   10.226  5207.46  916.758  8579.56  3908.49  5011.13  943.067  126.935   36.169  109.350   10.761 17.58490 37.73563 
1 1 1   -1   27   15 o  132.346   11.159  7366.88  1187.96  9079.15  4679.31  7248.92  1228.19  123.306   40.460  131.067   11.663 -7.760574 42.10728 
1 1 1   -1   27   16 o  126.334   11.365  6764.27  1153.29  5649.69  4435.52  6845.08  1194.37   97.744   38.336  126.924   11.722 -29.17979 40.08832 
1 1 1   -1   27   17 o   81.610   14.844  2980.03  947.414  2204.34  4325.38  3019.12  970.992   76.895   34.259   82.013   15.139 -5.118050 37.45449 
1 1 1   -1   27   18 o   34.565   15.440 -179.2344  884.833 -3776.0779  4371.78 -25.5984  903.533   56.588   27.768   36.327   15.943 20.26181 32.01933 
1 1 1   -1   27   19 o   55.693   18.908  1522.50  1020.51   0.0000   0.0000  1522.50  1020.51  ?   ?    55.693   18.908 0.000000 18.90786 
1 1 1   -1   27   20 o   44.021   19.751  274.275  1465.12   0.0000   0.0000  274.275  1465.12  ?   ?    44.021   19.751 0.000000 19.75144 
1 1 1   -1   29    1 o  227.223   18.059 21468.81  3304.44   0.0000   0.0000 21468.81  3304.44  ?   ?   227.223   18.059 0.000000 18.05943 
1 1 1   -1   29    2 o  151.007   17.254  9531.66  2077.57   0.0000   0.0000  9531.66  2077.57  ?   ?   151.007   17.254 0.000000 17.25393 
1 1 1   -1   29    3 o  292.152   19.850 35632.59  4680.94   0.0000   0.0000 35632.59  4680.94  ?   ?   292.152   19.850 0.000000 19.85044 
1 1 1   -1   29    4 o  201.779   15.082 16866.61  2453.17 15765.84  4549.31 17317.93  2912.97  189.320   30.642  203.691   17.791 -14.37126 35.43211 
1 1 1   -1   29    5 o  262.248   19.186 28816.72  4057.03 26467.80  6334.71 30450.16  5282.55  244.219   32.772  266.983   24.646 -22.76428 41.00570 
1 1 1   -1   29    6 o  189.534   16.664 15029.53  2538.43 16238.19  4147.87 14305.80  3209.67  192.535   27.297  182.870   22.062 9.665039 35.09760 
1 1 1   -1   29    7 o  141.243   16.802  8425.62  1889.12  9024.04  3365.66  8150.37  2282.60  140.729   30.347  137.379   21.141 3.350067 36.98471 
1 1 1   -1   29    8 o   78.056   19.714  2676.69  1249.74  306.385  3407.83  3045.00  1343.33   72.744   31.454   83.173   20.112 -10.42952 37.33472 
1 1 1   -1   29    9 o   95.408   20.094  4013.81  1507.47  3524.34  3172.72  4156.53  1713.20   91.165   33.138   96.422   22.323 -5.256821 39.95576 
1 1 1   -1   29   10 o  183.814   18.176 14488.35  2677.29 12859.96  5121.67 15100.63  3140.54  157.996   39.911  185.978   21.175 -27.98155 45.18016 
1 1 1   -1   29   11 o  102.835   9.0552  4383.38  748.377  3747.81  4089.53  4405.40  761.232   93.908   36.817  103.062   9.1931 -9.154381 37.94712 
1 1 1   -1   29   12 o  208.121   11.211 18050.37  1887.47 19398.23  5354.60 17859.14  2016.93  195.972   34.932  206.587   12.077 -10.61505 36.96027 
1 1 1   -1   29   13 o  162.654   11.379 11092.58  1493.41  5008.27  5374.39 11601.69  1554.64   99.781   41.101  166.264   11.588 -66.48339 42.70352 
1 1 1   -1   29   14 o   86.013   11.004  3141.20  750.900  5609.77  4734.52  3077.50  760.526   99.468   39.417   85.025   11.296 14.44219 41.00365 
1 1 1   -1   29   15 o   24.441   11.256 -358.3125  516.076 -1658.7111  3762.07 -333.3723  521.001   61.449   28.979   24.840   11.391 36.60904 31.13714 
1 1 1   -1   29   16 o   57.792   15.096  1521.84  716.162 -916.8964  5189.93  1569.18  723.079   69.366   33.093   58.678   15.091 10.68777 36.37159 
1 1 1   -1   29   17 o   57.332   16.165  1543.34  785.009   0.0000   0.0000  1543.34  785.009  ?   ?    57.332   16.165 0.000000 16.16536 
1 1 1   -1   29   18 f   24.895   12.084 -1114.4690  765.649   0.0000   0.0000 -1114.4690  765.649  ?   ?    24.895   12.084 0.000000 12.08372 
1 1 1   -1   29   19 o   64.262   24.325  2607.65  1741.60   0.0000   0.0000  2607.65  1741.60  ?   ?    64.262   24.325 0.000000 24.32513 
1 1 1   -1   31    4 o  140.402   20.406  8512.72  2258.25   0.0000   0.0000  8512.72  2258.25  ?   ?   140.402   20.406 0.000000 20.40630 
1 1 1   -1   31    5 o  110.023   21.706  5340.24  1870.25   0.0000   0.0000  5340.24  1870.25  ?   ?   110.023   21.706 0.000000 21.70624 
1 1 1   -1   31    6 o  219.861   20.718 20847.21  3654.89   0.0000   0.0000 20847.21  3654.89  ?   ?   219.861   20.718 0.000000 20.71758 
1 1 1   -1   31    7 o  210.628   20.902 19253.42  3527.49   0.0000   0.0000 19253.42  3527.49  ?   ?   210.628   20.902 0.000000 20.90178 
1 1 1   -1   31    8 o  106.292   21.009  5036.63  1748.95  3983.38  4317.39  5243.40  1912.93   96.862   37.869  107.831   22.573 -10.96889 44.08597 
1 1 1   -1   31    9 o  104.338   21.370  4902.59  1749.51 10895.76  4416.19  3786.92  1905.41  144.977   37.300   90.313   25.087 54.66412 44.95182 
1 1 1   -1   31   10 o  105.681   20.375  5020.86  1684.96  7263.47  3939.00  4518.60  1864.11  116.938   37.015   98.670   23.588 18.26826 43.89182 
1 1 1   -1   31   11 o   85.479   9.7345  3062.95  663.586  6658.64  4103.93  2966.42  672.435  110.047   37.905   84.016   10.057 26.03043 39.21609 
1 1 1   -1   31   12 o   94.581   10.147  3762.21  767.050  2727.21  5354.24  3783.90  775.045   87.882   38.685   94.830   10.228 -6.947319 40.01378 
1 1 1   -1   31   13 o  148.133   11.598  9297.60  1383.87  6597.73  6433.08  9428.60  1417.05  101.047   43.455  149.068   11.804 -48.02070 45.02926 
1 1 1   -1   31   14 o   43.355   14.008  803.304  561.932 -2726.4700  5730.77  837.572  564.653   69.023   33.397   44.084   14.021 24.93931 36.22114 
1 1 1   -1   31   15 o   31.437   13.151  139.206  562.347  3505.25  6198.75  111.274  564.675   81.528   38.046   31.103   13.104 50.42500 40.23923 
1 1 1   -1   31   16 o  101.054   13.198  4561.17  1057.04   0.0000   0.0000  4561.17  1057.04  ?   ?   101.054   13.198 0.000000 13.19763 
1 1 1   -1   31   17 o   62.252   16.978  1926.66  881.873   0.0000   0.0000  1926.66  881.873  ?   ?    62.252   16.978 0.000000 16.97779 
1 1 1   -1   31   18 o   87.138   29.188  5830.64  2431.59   0.0000   0.0000  5830.64  2431.59  ?   ?    87.138   29.188 0.000000 29.18832 
1 1 1   -1   33    1 o   90.491   25.332  3736.47  1934.92   0.0000   0.0000  3736.47  1934.92  ?   ?    90.491   25.332 0.000000 25.33181 
1 1 1   -1   33    2 o  185.204   21.298 14973.05  3144.48   0.0000   0.0000 14973.05  3144.48  ?   ?   185.204   21.298 0.000000 21.29797 
1 1 1   -1   33    3 o   65.200   25.148  1424.80  1884.19   0.0000   0.0000  1424.80  1884.19  ?   ?    65.200   25.148 0.000000 25.14815 
1 1 1   -1   33    4 o  200.576   21.882 17685.79  3505.96   0.0000   0.0000 17685.79  3505.96  ?   ?   200.576   21.882 0.000000 21.88234 
1 1 1   -1   33    5 o   94.540   33.812  4137.25  3286.76  6273.59  4630.43  1967.84  4666.13  111.060   40.085   87.221   37.244 23.83932 54.71704 
1 1 1   -1   33    6 o   73.782   31.299  1153.48  3257.09  3205.47  4238.94 -1804.2939  5089.22   90.788   36.842   75.073   34.845 15.71507 50.71025 
1 1 1   -1   33    7 o  131.420   36.882  9128.51  4096.25  7138.20  5044.37 12981.99  7018.96  114.115   41.738  142.428   49.542 -28.31296 64.78020 
1 1 1   -1   33    8 o   73.671   32.486  608.968  3791.88  2250.47  4502.14 -3397.5659  7033.69   85.248   36.498   80.567   38.461 4.680580 53.02216 
1 1 1   -1   33    9 o   79.943   38.674 -4543.2231  7675.79   0.0000   0.0000 -4543.2231  7675.79  ?   ?    79.943   38.674 0.000000 38.67391 
1 1 1   -1   33   11 o   49.056   11.723  1053.52  460.569   0.0000   0.0000  1053.52  460.569  ?   ?    49.056   11.723 0.000000 11.72272 
1 1 1   -1   33   12 o  125.851   12.565  6816.69  1266.85   0.0000   0.0000  6816.69  1266.85  ?   ?   125.851   12.565 0.000000 12.56538 
1 1 1   -1   33   13 o   67.435   11.757  1990.99  620.352   0.0000   0.0000  1990.99  620.352  ?   ?    67.435   11.757 0.000000 11.75712 
1 1 1   -1   33   14 o   33.464   13.070  342.818  513.916   0.0000   0.0000  342.818  513.916  ?   ?    33.464   13.070 0.000000 13.07016 
1 1 1   -1   33   15 o   61.134   16.198  1804.14  816.938   0.0000   0.0000  1804.14  816.938  ?   ?    61.134   16.198 0.000000 16.19825 
1 1 1   -1   33   16 o   76.509   15.732  2852.13  944.685   0.0000   0.0000  2852.13  944.685  ?   ?    76.509   15.732 0.000000 15.73211 
1 1 1   -1   35    1 o   89.321   27.209  3785.12  2151.16   0.0000   0.0000  3785.12  2151.16  ?   ?    89.321   27.209 0.000000 27.20900 
1 1 1   -1   35    2 o  130.877   28.269  8233.62  2916.30   0.0000   0.0000  8233.62  2916.30  ?   ?   130.877   28.269 0.000000 28.26930 
1 1 1   -1   35    3 o  134.381   27.899  8664.42  2944.53   0.0000   0.0000  8664.42  2944.53  ?   ?   134.381   27.899 0.000000 27.89907 
1 1 1   -1   35    4 o   81.368   28.540  3048.38  2331.72   0.0000   0.0000  3048.38  2331.72  ?   ?    81.368   28.540 0.000000 28.54020 
1 1 1   -1   35    5 o   45.973   21.014 -807.8241  1753.48 -2153.5740  4407.30 -554.7442  1911.26   67.337   31.634   49.600   22.380 17.73685 38.75005 
1 1 1   -1   35    6 o  157.947   24.098 11640.21  2992.67 21376.76  7189.33  9599.48  3291.39  182.396   47.921  138.152   30.185 44.24484 56.63566 
1 1 1   -1   35    7 o   95.040   26.059  4442.09  2071.07  8520.38  6292.16  3946.57  2193.28  112.943   45.217   89.084   27.534 23.85908 52.94072 
1 1 1   -1   35    8 o   32.483   15.730 -1865.5811  1278.03   13.584  5715.61 -1964.4821  1311.23   78.529   36.608   32.654   15.842 45.87449 39.88881 
1 1 1   -1   35    9 f   53.430   21.645  858.072  1460.35  5237.15  6295.31  609.021  1501.31   94.290   41.704   51.601   21.529 42.68874 46.93279 
1 1 1   -1   35   10 o   94.070   27.386  4692.45  2218.62 -3632.1050  7655.67  5455.68  2318.09   74.345   36.534  101.559   27.455 -27.21411 45.70015 
1 1 1   -1   35   11 o   59.195   10.917  1529.68  505.387 -2104.9509  6191.74  1554.06  507.079   69.598   33.913   59.694   10.862 9.903500 35.61015 
1 1 1   -1   35   12 f   26.450   11.299   32.431  429.765  3039.60  7709.57   23.058  430.434   78.273   38.074   26.327   11.279 51.94594 39.70943 
1 1 1   -1   35   13 o  154.105   12.066 10458.91  1497.77   0.0000   0.0000 10458.91  1497.77  ?   ?   154.105   12.066 0.000000 12.06632 
1 1 1   -1   35   14 o   60.681   13.395  1722.76  642.337   0.0000   0.0000  1722.76  642.337  ?   ?    60.681   13.395 0.000000 13.39519 
1 1 1   -1   35   15 o   23.745   11.111 -400.4162  534.673   0.0000   0.0000 -400.4162  534.673  ?   ?    23.745   11.111 0.000000 11.11114 
1 1 1   -1   37    1 o   79.842   29.356  3029.68  2500.06   0.0000   0.0000  3029.68  2500.06  ?   ?    79.842   29.356 0.000000 29.35621 
1 1 1   -1   37    2 o   95.970   32.374  4923.62  2991.58   0.0000   0.0000  4923.62  2991.58  ?   ?    95.970   32.374 0.000000 32.37417 
1 1 1   -1   37    3 o  100.007   32.541  5442.00  3029.22   0.0000   0.0000  5442.00  3029.22  ?   ?   100.007   32.541 0.000000 32.54102 
1 1 1   -1   37    4 o  101.842   31.004  5581.85  2793.66   0.0000   0.0000  5581.85  2793.66  ?   ?   101.842   31.004 0.000000 31.00367 
1 1 1   -1   37    5 o  119.255   33.096  7971.65  3317.78   0.0000   0.0000  7971.65  3317.78  ?   ?   119.255   33.096 0.000000 33.09585 
1 1 1   -1   37    6 o  144.643   30.175 11135.30  3429.30  1995.11  9476.43 12512.61  3678.61   88.674   42.915  152.964   30.685 -64.29003 52.75731 
1 1 1   -1   37    7 f  212.069   26.647 22868.03  4487.10 29099.30 11045.51 21636.44  4910.54  145.013   59.232  198.930   31.447 -53.91637 67.06248 
1 1 1   -1   37    8 o   75.427   28.992  2988.33  2497.73  5699.38  8578.16  2737.19  2610.86   88.868   42.438   73.617   29.240 15.25181 51.53624 
1 1 1   -1   37    9 f   54.144   23.683  566.061  1979.06  4377.65  8662.87  356.178  2032.81   82.754   40.278   53.287   23.627 29.46755 46.69625 
1 1 1   -1   37   10 o   43.050   19.786 -446.7926  1583.70  7403.79  8691.15 -716.4166  1610.67   82.956   40.369   41.895   19.498 41.06077 44.83101 
1 1 1   -1   37   11 o  100.064   11.016  4388.57  880.218  6067.98 10718.85  4377.17  883.201   75.096   37.853   99.894   11.075 -24.79786 39.43969 
1 1 1   -1   37   12 o   41.406   12.271  786.143  441.971   0.0000   0.0000  786.143  441.971  ?   ?    41.406   12.271 0.000000 12.27084 
1 1 1   -1   37   13 o   87.031   11.719  3453.64  807.075   0.0000   0.0000  3453.64  807.075  ?   ?    87.031   11.719 0.000000 11.71884 
1 1 1   -1   39    1 o   64.612   28.997  736.251  3159.72   0.0000   0.0000  736.251  3159.72  ?   ?    64.612   28.997 0.000000 28.99697 
1 1 1   -1   39    2 f   67.074   29.707  1250.56  3205.19   0.0000   0.0000  1250.56  3205.19  ?   ?    67.074   29.707 0.000000 29.70721 
1 1 1   -1   39    3 o  100.871   36.398  6925.17  3817.41   0.0000   0.0000  6925.17  3817.41  ?   ?   100.871   36.398 0.000000 36.39795 
1 1 1   -1   39    4 o   68.085   29.717  1742.03  3100.96   0.0000   0.0000  1742.03  3100.96  ?   ?    68.085   29.717 0.000000 29.71704 
1 1 1   -1   39    5 o   79.471   32.793  3850.33  3428.68   0.0000   0.0000  3850.33  3428.68  ?   ?    79.471   32.793 0.000000 32.79295 
1 1 1   -1   39    6 o  110.792   35.089  8535.67  3539.32   0.0000   0.0000  8535.67  3539.32  ?   ?   110.792   35.089 0.000000 35.08882 
1 1 1   -1   39    7 o  116.485   34.415  9452.24  3480.74  4152.21 12609.17  9889.43  3621.46   77.100   39.111  117.908   35.167 -40.80844 52.59681 
1 1 1   -1   39    8 o   63.879   28.077  2007.80  2811.32  1297.01 11546.01  2052.59  2898.56   71.483   36.378   64.302   28.376 7.180954 46.13627 
1 1 1   -1   39    9 o   74.890   31.731  4522.03  3340.90   0.0000   0.0000  4522.03  3340.90  ?   ?    74.890   31.731 0.000000 31.73058 
1 1 1   -1   39   10 o   60.530   26.919  2181.81  2657.99   0.0000   0.0000  2181.81  2657.99  ?   ?    60.530   26.919 0.000000 26.91885 
1 1 1   -1   41    1 o   93.311   38.159  8526.36  4590.77   0.0000   0.0000  8526.36  4590.77  ?   ?    93.311   38.159 0.000000 38.15853 
1 1 1   -1   41    2 o   54.971   26.470 -1042.8250  3495.68   0.0000   0.0000 -1042.8250  3495.68  ?   ?    54.971   26.470 0.000000 26.46995 
1 1 1   -1   41    3 o   70.713   31.690  3436.72  3759.88   0.0000   0.0000  3436.72  3759.88  ?   ?    70.713   31.690 0.000000 31.69034 
1 1 1   -1   41    4 o   58.726   27.958  406.494  3663.79   0.0000   0.0000  406.494  3663.79  ?   ?    58.726   27.958 0.000000 27.95822 
1 1 1   -1   41    5 o   62.521   29.375  1862.60  3802.00   0.0000   0.0000  1862.60  3802.00  ?   ?    62.521   29.375 0.000000 29.37488 
1 1 1   -1   41    6 o   50.610   24.118 -290.1669  2740.15   0.0000   0.0000 -290.1669  2740.15  ?   ?    50.610   24.118 0.000000 24.11774 
1 1 1    0    0    2 o  162.349   9.3973 10817.45  1229.28 10525.33  1736.52 11110.87  1740.40  159.127   13.672  163.686   13.297 0.000000 0.000000 
1 1 1    0    0    5 o   44.528   6.6820  857.744  225.553  864.820  319.705  850.732  318.261   42.681   10.663   42.232   10.735 0.000000 0.000000 
1 1 1    0    0    6 o  473.589   23.254 91954.17  8893.05 93082.47 12574.03 90824.93 12579.31  474.168   33.027  468.171   33.485 0.000000 0.000000 
1 1 1    0    0    7 o  451.662   22.223 83574.58  8104.77 77128.98 11459.91 90024.60 11463.84  431.203   33.183  467.119   30.524 0.000000 0.000000 
1 1 1    0    0    8 f  100.012   7.8589  4136.32  629.129  5134.88  915.105  3241.35  866.342  111.018   10.359   86.430   13.276 0.000000 0.000000 
1 1 1    0    0    9 o  674.831   32.705 186765.59 17824.63 194888.30 25209.71 178645.41 25205.97  686.245   45.708  655.984   47.910 0.000000 0.000000 
1 1 1    0    0   10 o  417.616   20.686 71424.68  6975.08 84037.47  9870.87 58845.68  9857.64  452.002   27.119  375.813   32.884 0.000000 0.000000 
1 1 1    0    0   11 o  715.115   34.583 210263.50 19973.49 251237.00 28255.19 169338.80 28238.37  779.031   45.013  633.990   55.852 0.000000 0.000000 
1 1 1    0    0   12 o  101.520   13.213  4397.31  1038.18  4397.31  1038.18   0.0000   0.0000  101.520   13.213  101.520   13.213 0.000000 0.000000 
1 1 1    0    0   13 o  961.223   47.101 386167.91 36560.19 398689.50 51718.65 373660.59 51689.18  963.043   66.881  929.979   69.338 0.000000 0.000000 
1 1 1    0    0   14 o   52.222   12.585  1283.70  462.705  2240.27  686.810  488.718  626.120   70.764   13.336   30.048   16.904 0.000000 0.000000 
1 1 1    0    0   15 o  181.839   11.137 13597.14  1630.18 12943.81  2323.88 14230.11  2287.40  175.925   16.609  185.008   15.476 0.000000 0.000000 
1 1 1    0    0   16 o  432.011   21.660 76919.55  7554.41 79538.98 10729.61 74344.60 10638.09  436.159   30.645  421.104   31.518 0.000000 0.000000 
1 1 1    0    0   17 o  196.795   12.182 15948.51  1929.55 12194.75  2774.47 19464.93  2685.32  168.792   21.142  216.835   15.432 0.000000 0.000000 
1 1 1    0    0   18 o   74.566   11.759  2426.23  658.995  2272.93  1035.77  2530.49  854.179   65.876   21.785   74.000   16.241 0.000000 0.000000 
1 1 1    0    0   19 o   77.073   14.921  2682.21  833.060  4545.41  1868.12  2219.73  930.726   94.518   27.988   66.197   19.871 0.000000 0.000000 
1 1 1    0    0   20 o  136.631   11.689  7801.12  1274.94  8111.85  2142.11  7630.67  1586.55  135.310   21.005  133.805   15.098 0.000000 0.000000 
1 1 1    0    0   21 o   24.934   14.772  287.890  517.635 -536.1307  1401.98  417.950  556.990   29.888   20.126   27.791   15.819 0.000000 0.000000 
1 1 1    0    0   22 o  181.102   13.077 13735.06  1899.91 15574.65  3145.16 12678.10  2384.03  188.671   21.221  171.738   17.514 0.000000 0.000000 
1 1 1    0    0   23 o   68.167   20.598  2411.72  994.445  1668.16  1891.31  2695.83  1169.10   51.500   29.215   70.901   22.970 0.000000 0.000000 
1 1 1    0    0   24 o  117.386   13.592  5970.50  1250.24  5582.16  2446.20  6107.80  1454.57   96.631   34.256  117.336   16.135 0.000000 0.000000 
1 1 1    0    0   25 o   17.211   12.229 -934.5821  730.916   0.0000   0.0000 -934.5821  730.916   17.211   12.229   17.211   12.229 0.000000 0.000000 
1 1 1    0    0   26 o   34.229   19.756  737.031  886.631   0.0000   0.0000  737.031  886.631   34.229   19.756   34.229   19.756 0.000000 0.000000 
1 1 1    0    2    2 o  283.535   10.073 32705.81  2319.00 34407.09  3277.53 31000.32  3281.60  290.545   13.893  275.331   14.732 15.21402 20.24983 
1 1 1    0    2    5 o  457.750   15.733 85350.34  5847.65 87687.41  8268.86 83012.19  8270.79  463.245   21.983  450.070   22.706 13.17499 31.60403 
1 1 1    0    2    6 o  302.268   10.760 37134.28  2640.85 38055.64  3732.83 36211.03  3736.62  305.833   15.032  297.908   15.501 7.925354 21.59261 
1 1 1    0    2    7 o  642.301   21.807 168090.70 11372.93 169141.91 16081.63 167038.91 16085.89  643.163   30.794  639.122   30.997 4.040771 43.69343 
1 1 1    0    2    8 o  1475.26   57.999 902921.38 69474.71 897109.62 120329.10 905827.69 85090.45  1433.87  104.062  1469.60   71.309 -35.73633 126.1498 
1 1 1    0    2    9 o  666.356   22.504 180823.20 12176.10 182889.20 17217.84 178756.41 17221.37  669.144   31.690  661.493   32.063 7.651184 45.08089 
1 1 1    0    2   10 o  688.206   23.251 193011.30 12992.53 203604.80 18372.34 182413.50 18376.08  705.644   32.066  666.761   34.056 38.88226 46.77636 
1 1 1    0    2   11 o  733.760   24.767 219978.80 14756.14 221570.91 20865.15 218385.59 20871.52  734.091   35.005  728.725   35.274 5.366394 49.69514 
1 1 1    0    2   12 o  1029.30   50.803 448300.91 42458.80 450048.00 60047.88 446554.00 60043.75  1006.73   73.978  1002.42   74.299 4.303406 104.8475 
1 1 1    0    2   13 o  334.984   11.909 45695.42  3239.09 44381.76  4577.21 47013.18  4584.33  329.155   17.186  339.291   16.640 -10.13632 23.92195 
1 1 1    0    2   14 o  206.433   8.2866 17330.34  1388.97 16226.41  1955.56 18454.22  1973.16  199.188   12.149  212.548   11.476 -13.36005 16.71221 
1 1 1    0    2   15 o  201.165   8.2267 16461.96  1343.75 17357.80  1894.95 15555.85  1905.78  206.069   11.369  194.954   12.099 11.11510 16.60264 
1 1 1    0    2   16 o  216.452   8.6523 19071.64  1520.66 18046.71  2145.18 20106.88  2155.94  209.865   12.648  221.654   12.024 -11.78958 17.45127 
1 1 1    0    2   17 o   50.499   10.123  1076.78  400.608  768.616  598.313  1327.19  539.352   44.199   14.466   55.922   12.220 -11.72371 18.93633 
1 1 1    0    2   18 o  133.781   7.1753  7308.22  776.581  6391.55  1090.60  8251.08  1106.07  124.586   10.890  141.860   9.6600 -17.27434 14.55738 
1 1 1    0    2   19 f   30.796   11.313  310.578  371.176 -199.7446  499.228  941.380  555.039   26.042   11.618   47.264   13.680 -21.22265 17.94756 
1 1 1    0    2   20 o   24.350   10.520 -40.4410  380.617 -565.1817  517.498  577.921  561.770   22.830   10.761   39.652   14.000 -16.82172 17.65774 
1 1 1    0    2   21 o   81.585   9.5871  2780.06  622.981  1986.65  899.185  3512.47  863.928   67.128   16.592   91.198   11.955 -24.06986 20.45015 
1 1 1    0    2   22 f   39.201   13.460  602.039  517.295  442.728  701.667  791.726  765.646   39.264   15.290   45.625   16.319 -6.360996 22.36251 
1 1 1    0    2   23 o  132.628   9.2045  7345.21  985.092  6460.10  1367.63  8299.54  1420.11  122.107   14.050  139.336   12.691 -17.22886 18.93344 
1 1 1    0    2   24 o  183.284   9.5509 14140.86  1416.45 13834.08  1966.39 14471.71  2042.08  177.980   13.713  181.846   13.936 -3.865936 19.55131 
1 1 1    0    2   25 o   42.133   14.726  760.080  620.510  1113.48  830.702  313.992  933.298   49.386   17.051   39.773   16.807 9.612652 23.94181 
1 1 1    0    2   26 o   37.935   14.352  582.996  606.065  1407.20  798.678 -535.9077  930.571   52.777   16.663   31.388   14.678 21.38931 22.20647 
1 1 1    0    4    5 o  303.011   10.746 37325.05  2643.91 40696.75  3737.32 33947.09  3740.80  316.227   14.555  288.297   16.044 27.92969 21.66251 
1 1 1    0    4    6 o  122.499   5.6068  6093.88  557.686  6048.92  788.856  6138.80  788.518  121.765   8.0237  122.675   7.9592 -0.9102325 11.30171 
1 1 1    0    4    7 o  154.041   6.4221  9636.31  803.257  8965.88  1136.41 10305.71  1135.54  148.258   9.4900  159.036   8.8284 -10.77849 12.96149 
1 1 1    0    4    8 o  866.904   41.546 308406.19 29243.89 331036.00 41358.12 285778.59 41356.10  892.094   57.402  826.922   62.046 65.17212 84.52603 
1 1 1    0    4    9 o  454.344   15.547 83931.06  5735.41 80450.19  8109.03 87415.48  8113.17  443.888   22.573  463.361   21.564 -19.47244 31.21790 
1 1 1    0    4   10 o  678.393   22.792 187567.09 12554.48 190273.41 17753.11 184859.80 17756.33  681.977   32.060  672.129   32.536 9.848511 45.67755 
1 1 1    0    4   11 o  1104.33   37.074 502949.50 33243.33 509946.81 47011.38 495951.09 47014.97  1103.39   52.473  1087.66   53.236 15.73645 74.74940 
1 1 1    0    4   12 o  429.907   21.281 75631.43  7428.62 74663.48 10511.39 76597.28 10499.92  424.284   30.719  429.899   30.274 -5.614960 43.12977 
1 1 1    0    4   13 o  321.862   11.594 42181.96  3030.09 41153.32  4281.82 43213.84  4288.58  316.981   16.695  325.315   16.236 -8.334137 23.28789 
1 1 1    0    4   14 o   57.071   7.7236  1348.44  348.717  1698.66  487.573  981.706  498.943   63.888   9.7043   48.200   12.605 15.68826 15.90819 
1 1 1    0    4   15 o  298.526   10.927 36311.66  2648.65 37805.20  3741.96 34812.04  3749.56  304.097   15.155  291.284   15.914 12.81335 21.97532 
1 1 1    0    4   16 o  393.883   13.982 63435.68  4471.79 63720.86  6320.24 63149.80  6327.90  392.868   19.878  391.061   19.995 1.807068 28.19462 
1 1 1    0    4   17 o  213.421   8.6988 18554.22  1507.43 17445.59  2123.01 19681.44  2140.74  206.166   12.745  219.142   12.078 -12.97588 17.55843 
1 1 1    0    4   18 o  105.779   7.1110  4576.74  607.206  4795.28  841.108  4338.89  877.485  107.949   9.6996  102.483   10.703 5.465996 14.44423 
1 1 1    0    4   19 o  166.283   8.1984 11294.66  1106.91 10915.07  1531.83 11709.47  1601.31  162.548   11.684  168.363   11.788 -5.814270 16.59743 
1 1 1    0    4   20 o  182.043   8.4148 13580.76  1243.81 13121.57  1748.20 14051.49  1770.04  177.639   12.194  183.950   11.915 -6.311325 17.04873 
1 1 1    0    4   21 o   26.625   10.844  118.697  368.860 -161.0186  472.134  556.882  590.929   25.529   11.350   39.519   14.311 -13.99018 18.26539 
1 1 1    0    4   22 o   63.476   12.659  1748.89  629.578  1759.01  765.108  1727.68  1107.94   63.033   15.139   62.396   19.617 0.6363869 24.77909 
1 1 1    0    4   23 f   61.693   13.105  1676.95  636.199  2078.34  772.172  828.573  1122.59   68.401   14.360   49.668   19.340 18.73357 24.08850 
1 1 1    0    4   24 o   91.601   10.975  3608.30  800.017  4288.14  1098.70  2841.04  1167.20   98.244   14.184   77.182   18.799 21.06264 23.54965 
1 1 1    0    4   25 o   29.565   12.736   40.766  554.415 -468.8751  687.939  985.108  936.445   27.520   12.786   47.908   17.899 -20.38861 21.99704 
1 1 1    0    4   26 o   27.920   12.314 -30.1395  545.155  279.443  670.236 -635.3522  937.117   34.223   14.340   30.764   14.494 3.459225 20.38935 
1 1 1    0    6    0 o  715.034   50.051 213314.00 28875.43   0.0000   0.0000 213314.00 28875.43  ?   ?   715.034   50.051 0.000000 50.05079 
1 1 1    0    6    1 o  780.360   38.200 253761.59 24204.56 246436.20 34230.39 261086.91 34230.46  756.086   56.158  779.709   54.409 -23.62225 78.19292 
1 1 1    0    6    3 o  494.527   24.182 100152.10  9710.03 101841.50 13754.74 98473.87 13709.50  495.364   34.411  486.912   34.908 8.451904 49.01687 
1 1 1    0    6    4 o  394.835   15.863 63479.71  5085.47 60035.88  8868.29 65167.02  6207.51  381.616   28.833  399.779   19.123 -18.16266 34.59834 
1 1 1    0    6    5 o  653.331   21.795 174049.00 11561.76 173361.20 16350.70 174736.80 16350.89  650.599   30.952  653.198   30.829 -2.598755 43.68560 
1 1 1    0    6    6 o  709.293   24.093 205145.80 13875.60 202727.80 19619.04 207565.80 19627.09  703.514   34.345  711.931   33.953 -8.416443 48.29503 
1 1 1    0    6    7 o  228.787   12.195 21331.80  2257.20 11343.60  3869.60 26483.16  2778.97  164.120   30.149  254.898   13.475 -90.77774 33.02328 
1 1 1    0    6    8 o  854.131   32.294 298047.59 22396.64 306016.00 27430.29 282111.09 38791.78  864.216   39.090  823.211   58.414 41.00519 70.28719 
1 1 1    0    6    9 o  1413.07   46.897 822226.81 53808.21 824336.88 76096.05 820116.69 76096.55  1404.80   66.713  1401.10   66.890 3.704956 94.47127 
1 1 1    0    6   10 o  886.961   29.471 321767.09 21224.83 315605.91 30015.32 327929.31 30017.56  875.020   42.246  892.196   41.436 -17.17548 59.17488 
1 1 1    0    6   11 o  312.647   11.156 39750.91  2832.04 35605.60  4000.22 43916.57  4010.03  295.113   16.763  328.394   15.039 -33.28156 22.52034 
1 1 1    0    6   12 o  639.197   25.231 167918.91 13094.90 179136.00 22723.12 162341.41 16023.09  651.307   43.213  625.560   31.649 25.74725 53.56320 
1 1 1    0    6   13 o  155.093   6.8823  9776.08  866.698  9434.67  1212.99 10132.17  1238.81  151.954   9.8849  157.508   9.7341 -5.554108 13.87319 
1 1 1    0    6   14 o  261.935   9.9949 27928.82  2125.74 29606.81  3004.92 26247.84  3007.59  269.016   13.803  253.120   14.697 15.89671 20.16259 
1 1 1    0    6   15 o  380.173   13.437 59014.07  4147.96 56956.03  5862.61 61077.01  5869.60  371.827   19.486  385.722   18.741 -13.89536 27.03587 
1 1 1    0    6   16 o   41.896   9.5937  743.707  319.332  977.740  425.515  441.966  483.164   48.008   11.132   35.970   12.953 12.03756 17.07967 
1 1 1    0    6   17 o  138.458   7.2227  7823.10  809.186  8565.29  1147.67  7089.39  1141.08  144.592   9.8338  131.350   10.795 13.24223 14.60232 
1 1 1    0    6   18 o  145.750   7.4179  8677.28  874.961  8224.42  1212.03  9170.11  1264.40  141.422   10.633  149.399   10.490 -7.977051 14.93613 
1 1 1    0    6   19 o   32.186   12.124  314.527  431.346  672.336  532.628 -367.3515  735.278   41.265   13.656   30.774   13.884 10.49053 19.47395 
1 1 1    0    6   20 o  111.042   7.9114  5074.75  708.651  5114.05  961.100  5027.92  1049.03  110.828   10.818  109.575   11.986 1.253120 16.14629 
1 1 1    0    6   21 o  135.454   8.6102  7578.80  942.071  6232.09  1227.97  9505.22  1468.69  121.546   12.627  150.562   12.116 -29.01574 17.49971 
1 1 1    0    6   22 o  149.116   8.7524  9218.89  1055.07  8230.45  1457.33 10307.59  1529.46  139.097   13.056  156.240   12.152 -17.14253 17.83616 
1 1 1    0    6   23 o  149.222   9.4694  9320.86  1141.40  9063.94  1538.53  9635.37  1702.23  145.115   13.202  148.969   14.247 -3.853882 19.42305 
1 1 1    0    6   24 o  189.695   11.174 15396.19  1713.42 22173.88  2422.76  8614.38  2423.50  225.419   13.296  130.602   23.728 94.81754 27.19881 
1 1 1    0    6   25 o   90.305   12.028  3629.61  860.021  3463.34  1068.35  3935.75  1449.61   85.459   15.984   86.994   20.803 -1.534721 26.23459 
1 1 1    0    6   26 o   17.496   8.7366 -1243.9370  508.260 -1859.2610  606.078  214.332  933.030   17.545   8.8630   37.182   16.263 -19.63691 18.52118 
1 1 1    0    8    1 o  619.226   30.193 157594.09 15180.67 158922.70 21467.69 156265.20 21469.73  616.531   43.156  611.173   43.549 5.357788 61.30987 
1 1 1    0    8    2 o  559.391   27.404 128203.60 12447.19 118933.30 17618.93 137440.41 17587.06  534.349   40.919  575.656   37.837 -41.30670 55.73196 
1 1 1    0    8    3 o  919.904   65.265 360460.00 48432.25 360460.00 48432.25   0.0000   0.0000  919.904   65.265  ?   ?  0.000000 65.26527 
1 1 1    0    8    4 o  467.987   22.874 89321.04  8691.82 92504.85 12320.93 86166.87 12263.45  474.137   32.195  457.323   33.253 16.81418 46.28468 
1 1 1    0    8    5 o  164.076   8.0222 10934.75  1068.75  9301.93  1927.37 11659.74  1284.28  150.374   16.033  169.152   9.3875 -18.77879 18.57877 
1 1 1    0    8    6 o  552.958   21.696 124525.20  9741.32 133707.91 16945.45 119992.80 11905.07  570.154   36.800  542.332   27.035 27.82263 45.66327 
1 1 1    0    8    7 o  797.546   31.071 259754.30 20121.01 256551.20 34788.47 261364.41 24665.15  785.967   54.856  798.854   38.026 -12.88745 66.74690 
1 1 1    0    8    8 o  1036.15   33.728 438932.09 28375.79 439999.91 40127.93 437864.19 40130.92  1033.77   47.806  1031.22   47.928 2.548584 67.69455 
1 1 1    0    8    9 o  878.599   28.630 315303.59 20424.13 302275.69 28882.43 328334.59 28885.73  857.405   41.487  894.051   39.791 -36.64655 57.48442 
1 1 1    0    8   10 o  759.830   25.519 236067.09 15744.03 235153.30 22264.83 236980.91 22266.00  755.621   36.289  758.594   36.149 -2.972351 51.22152 
1 1 1    0    8   11 o  617.997   24.133 156537.91 12109.58 151177.41 14827.73 167273.70 20984.08  605.716   30.149  631.939   41.119 -26.22357 50.98771 
1 1 1    0    8   12 o  497.961   17.785 101341.90  7190.80 105958.90 10166.39 96719.59 10172.27  507.625   24.665  483.989   25.980 23.63593 35.82347 
1 1 1    0    8   13 o  262.053   9.4724 27940.26  2015.52 27705.16  2844.58 28177.29  2856.21  260.311   13.505  262.533   13.444 -2.222260 19.05558 
1 1 1    0    8   14 o  135.607   6.5774  7474.96  724.231  6431.90  1003.45  8609.07  1046.33  125.301   9.9446  145.185   8.9190 -19.88365 13.35830 
1 1 1    0    8   15 o  131.750   6.8595  7077.41  731.273  7886.71  1032.53  6262.92  1035.83  138.876   9.2089  123.542   10.423 15.33427 13.90871 
1 1 1    0    8   16 o  261.322   9.7886 27832.07  2077.00 27027.82  2927.08 28647.68  2947.67  256.607   14.103  264.269   13.785 -7.662903 19.72063 
1 1 1    0    8   17 o  125.217   7.0876  6402.14  717.657  6499.15  981.823  6290.86  1051.61  125.856   9.6820  123.683   10.573 2.173172 14.33633 
1 1 1    0    8   18 o   40.791   10.311  707.106  341.691  789.799  430.771  566.798  561.115   43.217   11.899   39.632   13.992 3.585541 18.36732 
1 1 1    0    8   19 o  192.462   8.4885 15158.77  1326.53 16013.72  1830.83 14213.93  1924.67  196.841   11.505  184.986   12.894 11.85484 17.28098 
1 1 1    0    8   20 o  164.501   8.5427 11135.69  1137.11 11495.73  1563.57 10731.47  1656.72  166.197   11.660  160.128   12.850 6.069138 17.35222 
1 1 1    0    8   21 o  247.323   9.9985 25315.91  2007.88 23639.74  2825.70 27025.39  2853.65  235.913   14.827  252.928   13.949 -17.01511 20.35718 
1 1 1    0    8   22 o  148.954   8.9118  9216.22  1072.89 10283.00  1472.68  8009.60  1566.23  156.120   11.703  136.371   14.361 19.74861 18.52506 
1 1 1    0    8   23 o  156.734   9.2534 10282.36  1172.39  8547.60  1553.65 12576.59  1786.70  140.273   13.820  170.999   12.965 -30.72626 18.94964 
1 1 1    0    8   24 o   63.410   12.009  1782.20  595.681  1608.22  710.278  2194.69  1093.68   59.075   14.830   67.129   19.134 -8.053894 24.20837 
1 1 1    0    8   25 o   77.618   12.014  2707.27  732.684  2551.06  815.218  3363.66  1671.10   74.024   14.078   76.080   24.112 -2.056458 27.92111 
1 1 1    0    8   26 o   40.411   14.234  759.918  580.398  759.918  580.398   0.0000   0.0000   40.411   14.234  ?   ?  0.000000 14.23431 
1 1 1    0   10    0 o  728.825   35.201 216870.80 20831.12 211499.20 29478.27 222228.91 29441.07  715.780   51.055  734.110   49.684 -18.33002 71.24028 
1 1 1    0   10    1 o  634.629   25.115 164429.41 12941.95 162980.59 22400.85 165155.30 15856.00  626.663   44.310  635.145   30.746 -8.482544 53.93197 
1 1 1    0   10    2 o  799.626   38.666 262826.69 25104.85 259702.41 35520.08 265945.19 35487.17  787.770   55.894  797.543   55.138 -9.773071 78.51348 
1 1 1    0   10    3 o  344.805   17.659 48510.70  4927.33 46970.50  6988.13 50033.54  6948.65  338.323   25.629  349.374   24.653 -11.05099 35.56115 
1 1 1    0   10    4 o  485.940   23.770 96250.61  9378.67 99716.84 13290.18 92812.14 13236.85  492.549   33.429  474.906   34.564 17.64337 48.08523 
1 1 1    0   10    5 o  323.097   16.325 42562.67  4269.00 49089.39  6078.73 36211.00  5996.65  346.523   21.714  296.998   25.102 49.52509 33.19030 
1 1 1    0   10    6 o  317.398   16.401 41074.77  4212.33   0.0000   0.0000 41074.77  4212.33  ?   ?   317.398   16.401 0.000000 16.40087 
1 1 1    0   10    7 o  197.831   11.111 15951.30  1777.52 21078.41  2576.23 11292.81  2455.68  227.289   14.028  165.572   18.587 61.71732 23.28665 
1 1 1    0   10    8 o  393.627   15.925 63017.16  5089.73 65069.48  8909.45 62022.89  6201.23  398.312   27.721  389.835   19.654 8.477112 33.98129 
1 1 1    0   10    9 o  211.907   8.7288 18244.13  1501.90 19302.24  2128.86 17195.63  2119.19  217.555   12.099  205.245   12.780 12.31004 17.59861 
1 1 1    0   10   10 o  948.969   30.186 370456.19 23259.52 367878.69 32896.45 373032.91 32891.41  939.278   43.134  946.016   42.820 -6.737915 60.77880 
1 1 1    0   10   11 o  481.800   19.155 94921.94  7493.41 100981.90 13079.19 91960.79  9142.68  492.487   32.897  472.701   23.898 19.78592 40.66095 
1 1 1    0   10   12 o  343.687   12.295 48119.89  3431.09 47248.31  4854.95 48989.57  4849.65  339.490   17.673  346.205   17.252 -6.714325 24.69784 
1 1 1    0   10   13 o  610.804   20.756 153177.91 10294.21 153857.91 14559.89 152498.20 14556.52  608.716   29.458  605.963   29.585 2.753906 41.74997 
1 1 1    0   10   14 o  699.963   24.223 202510.41 13767.26 206082.70 19471.46 198939.41 19468.24  699.912   34.262  686.335   35.051 13.57715 49.01524 
1 1 1    0   10   15 o  351.787   12.580 50533.29  3593.47 50666.78  5080.65 50399.66  5083.21  350.777   17.898  349.835   17.956 0.9428406 25.35221 
1 1 1    0   10   16 o  146.301   7.2785  8710.00  864.625  9052.51  1211.75  8354.74  1234.08  148.652   10.099  142.695   10.730 5.956772 14.73507 
1 1 1    0   10   17 o  244.901   10.244 24497.98  2037.07 25034.21  2868.96 23952.76  2892.91  246.434   14.401  240.915   14.861 5.518448 20.69385 
1 1 1    0   10   18 o  240.294   9.4543 23624.07  1844.63 24521.38  2613.01 22732.65  2604.42  243.564   13.263  234.329   13.748 9.234299 19.10277 
1 1 1    0   10   19 o   62.192   7.3635  1602.59  364.618  2242.85  430.434 -24.0781  686.087   73.729   7.2853   33.075   14.206 40.65462 15.96548 
1 1 1    0   10   20 o   35.909   10.662  540.988  333.447  739.400  387.611 -23.8699  654.008   41.550   11.224   32.177   13.847 9.373566 17.82440 
1 1 1    0   10   21 o  147.671   8.1343  9002.21  971.567  6834.68  1301.39 11731.48  1460.31  127.008   12.793  167.631   10.786 -40.62236 16.73363 
1 1 1    0   10   22 o   78.244   9.8274  2586.46  610.570  3071.01  756.381  1680.16  1034.44   84.878   11.252   61.040   18.916 23.83765 22.01015 
1 1 1    0   10   23 o  136.875   9.0400  7855.63  999.029  8378.56  1313.16  7137.08  1539.32  139.931   11.664  126.814   15.255 13.11703 19.20349 
1 1 1    0   10   24 o  152.824   10.190  9990.64  1257.19  9245.27  1696.05 10899.61  1872.96  143.040   14.818  155.143   15.058 -12.10225 21.12606 
1 1 1    0   10   25 o  127.664   10.540  7151.64  1082.84  6441.67  1298.94  8769.05  1960.55  118.070   13.810  131.492   18.907 -13.42141 23.41325 
1 1 1    0   12    1 o  952.739   37.361 372044.19 28902.19 370925.69 50054.71 372603.81 35399.70  939.800   66.014  951.180   45.835 -11.38007 80.36597 
1 1 1    0   12    2 o  1193.16   57.763 590851.12 55960.72 593349.69 79158.19 588354.88 79122.65  1179.44   83.190  1174.22   83.532 5.223022 117.8909 
1 1 1    0   12    3 o  382.987   19.530 59849.00  6053.20 55682.92  8591.02 63956.43  8530.33  368.236   28.967  395.108   26.747 -26.87265 39.42698 
1 1 1    0   12    4 o  445.667   21.795 80869.31  7887.00 95505.85 11186.87 66404.08 11121.22  482.978   28.654  401.537   34.444 81.44122 44.80456 
1 1 1    0   12    5 o  708.224   49.155 207520.50 28092.04   0.0000   0.0000 207520.50 28092.04  ?   ?   708.224   49.155 0.000000 49.15541 
1 1 1    0   12    6 o  910.391   42.869 340369.31 31689.35 389331.41 44871.65 291651.59 44759.57  967.729   57.362  833.564   66.690 134.1650 87.96532 
1 1 1    0   12    7 o  739.210   28.342 223144.80 17011.34 253780.50 29613.35 208056.09 20782.52  783.060   46.789  711.604   36.086 71.45593 59.08855 
1 1 1    0   12    8 o  570.371   23.910 132816.59 11073.11 122698.70 19324.78 137762.50 13511.12  542.871   44.225  580.185   28.681 -37.31317 52.71096 
1 1 1    0   12    9 o  599.093   23.934 146885.00 11642.36 144941.30 20304.50 147837.09 14210.41  588.551   42.781  599.868   29.175 -11.31720 51.78220 
1 1 1    0   12   10 o  233.008   10.419 22086.97  1971.28 22636.01  3557.41 21843.67  2368.11  234.603   18.834  231.265   12.659 3.337830 22.69287 
1 1 1    0   12   11 o  467.680   18.268 89448.36  6937.07 103861.50 12159.31 82493.26  8446.58  500.004   30.090  447.522   23.326 52.48199 38.07239 
1 1 1    0   12   12 o  463.380   18.179 87892.61  6839.86 102300.60 12005.62 80968.62  8322.64  495.602   29.975  443.030   23.217 52.57278 37.91478 
1 1 1    0   12   13 o  463.711   17.265 88051.32  6500.50 90733.89  9203.45 85380.80  9182.77  468.167   24.294  453.844   25.015 14.32239 34.87114 
1 1 1    0   12   14 o  696.958   23.790 201006.41 13463.01 202786.00 19051.27 199231.00 19027.89  693.362   33.840  687.052   34.109 6.310242 48.04696 
1 1 1    0   12   15 o  403.789   14.490 66754.57  4750.85 65022.43  6723.44 68481.86  6714.02  396.173   20.976  407.336   20.300 -11.16257 29.19014 
1 1 1    0   12   16 o  112.352   6.5228  5152.83  592.488  5597.05  796.131  4601.39  887.030  116.906   8.4439  105.661   10.477 11.24522 13.45635 
1 1 1    0   12   17 o   77.135   7.4751  2447.47  462.300  2465.30  617.160  2424.68  697.830   77.004   10.115   76.066   11.671 0.9386520 15.44466 
1 1 1    0   12   18 o  172.542   8.2845 12173.07  1160.65 12160.60  1609.63 12186.58  1675.14  171.486   11.629  171.541   12.104 -0.5467224E-01 16.78515 
1 1 1    0   12   19 o  258.982   10.134 27627.23  2131.08 26871.98  3009.98 28386.32  3017.63  253.023   14.714  260.292   14.333 -7.268829 20.54161 
1 1 1    0   12   20 o   54.733   9.3049  1268.07  398.719  1521.69  441.261  139.767  930.720   60.069   9.3513   39.823   16.803 20.24563 19.23023 
1 1 1    0   12   21 o  179.324   8.8617 13291.88  1290.31 13329.55  1756.31 13247.71  1901.92  177.772   12.242  176.597   13.363 1.175125 18.12271 
1 1 1    0   12   22 o   87.470   8.8609  3208.44  620.640  3467.55  730.582  2536.59  1176.42   90.547   10.110   73.685   19.397 16.86158 21.87365 
1 1 1    0   12   23 o   76.135   9.7904  2476.44  591.213  1978.98  676.096  4092.81  1218.71   66.709   12.949   94.548   16.474 -27.83926 20.95372 
1 1 1    0   12   24 o   48.419   13.393  1078.44  544.289  905.080  599.156  1897.07  1301.98   44.741   14.466   61.034   21.331 -16.29227 25.77343 
1 1 1    0   12   25 o   79.316   23.709  3848.19  1644.68   0.0000   0.0000  3848.19  1644.68  ?   ?    79.316   23.709 0.000000 23.70894 
1 1 1    0   14    0 o  1299.89   90.104 705661.88 94514.47   0.0000   0.0000 705661.88 94514.47  ?   ?   1299.89   90.104 0.000000 90.10370 
1 1 1    0   14    1 o  1771.17   70.350 1311026.00 101172.70 1320509.00 175241.59 1306284.00 123908.80  1720.46  126.329  1754.78   86.964 -34.32520 153.3681 
1 1 1    0   14    2 o  638.023   44.585 168004.00 22952.21   0.0000   0.0000 168004.00 22952.21  ?   ?   638.023   44.585 0.000000 44.58500 
1 1 1    0   14    3 o  344.834   25.370 48721.58  7053.60   0.0000   0.0000 48721.58  7053.60  ?   ?   344.834   25.370 0.000000 25.37017 
1 1 1    0   14    4 o  1393.51   67.662 811003.69 76558.20 824999.88 108318.50 797032.69 108220.80  1382.41   97.117  1357.20   98.884 25.20715 138.5992 
1 1 1    0   14    5 o  963.422   46.333 382408.81 36244.55 395238.91 51307.32 369628.41 51207.88  970.405   65.499  937.240   67.746 33.16492 94.23199 
1 1 1    0   14    6 o  556.256   26.883 126369.80 12141.92 137525.30 17236.83 115382.40 17106.45  577.630   36.944  528.126   40.194 49.50439 54.59321 
1 1 1    0   14    7 o  407.292   17.002 67561.63  5622.71 71818.91  9924.69 65549.32  6823.37  417.595   29.459  400.294   21.068 17.30133 36.21700 
1 1 1    0   14    8 o  417.551   16.329 71063.70  5535.99 78419.30  9778.90 67594.47  6715.78  436.150   27.757  406.788   20.332 29.36185 34.40765 
1 1 1    0   14    9 o  612.203   31.892 155499.09 15798.24 138146.70 22534.38 172271.70 22154.65  568.488   49.307  638.994   42.950 -70.50592 65.39006 
1 1 1    0   14   10 o  205.673   10.376 17257.46  1727.21 12047.55  3178.63 19440.25  2057.46  169.648   23.725  218.194   11.655 -48.54648 26.43307 
1 1 1    0   14   11 o  568.691   23.759 133113.09 10970.99 116125.40 19198.59 141350.30 13368.84  519.839   45.958  584.407   28.173 -64.56812 53.90606 
1 1 1    0   14   12 o  141.821   8.3330  8209.61  955.364  7259.30  1831.96  8564.60  1119.67  132.027   17.522  144.743   9.5811 -12.71626 19.97027 
1 1 1    0   14   13 o   30.402   10.995  310.930  348.616  1083.63  962.320  194.205  374.022   53.650   18.360   28.476   11.142 25.17404 21.47676 
1 1 1    0   14   14 o  203.335   9.9036 16848.23  1635.10 19313.75  3107.06 15903.90  1922.90  216.087   17.869  197.011   12.079 19.07588 21.56844 
1 1 1    0   14   15 o  489.219   20.162 98974.75  8009.11 97797.12 14146.50 99530.26  9716.26  474.997   36.970  487.847   24.608 -12.85046 44.41145 
1 1 1    0   14   16 o  178.274   8.2834 12956.26  1199.05 14381.76  1705.20 11562.05  1686.38  187.165   11.273  167.519   12.488 19.64633 16.82342 
1 1 1    0   14   17 o  225.990   8.9780 20882.64  1647.42 21712.58  2346.19 20075.49  2313.77  229.301   12.650  220.359   12.989 8.942047 18.13134 
1 1 1    0   14   18 o   75.292   7.3694  2338.78  444.749  3369.89  540.084  166.482  783.915   90.500   7.4149   37.539   15.600 52.96035 17.27299 
1 1 1    0   14   19 o  195.550   8.6647 15712.81  1375.79 14912.59  1941.39 16520.11  1949.95  188.804   12.738  199.031   12.124 -10.22763 17.58553 
1 1 1    0   14   20 o  139.028   7.8729  7970.88  885.095  7080.17  1169.46  9165.21  1354.19  129.964   11.191  147.912   11.362 -17.94870 15.94832 
1 1 1    0   14   21 o  219.296   10.042 20032.78  1788.15 19556.77  2485.21 20543.73  2574.83  213.407   14.427  218.612   14.589 -5.204849 20.51796 
1 1 1    0   14   22 o   36.413   12.147  542.370  421.141   13.678  463.849  3023.26  1004.80   27.347   11.712   81.914   15.678 -54.56686 19.56975 
1 1 1    0   14   23 o   37.190   16.383 -38.6838  962.054   0.0000   0.0000 -38.6838  962.054  ?   ?    37.190   16.383 0.000000 16.38326 
1 1 1    0   14   24 o   46.234   19.656  623.247  1289.43   0.0000   0.0000  623.247  1289.43  ?   ?    46.234   19.656 0.000000 19.65645 
1 1 1    0   14   25 o   95.726   11.577  4193.35  881.570  4193.35  881.570   0.0000   0.0000   95.726   11.577  ?   ?  0.000000 11.57731 
1 1 1    0   16    0 o  415.764   30.207 70762.07 10127.90   0.0000   0.0000 70762.07 10127.90  ?   ?   415.764   30.207 0.000000 30.20722 
1 1 1    0   16    1 o  834.250   32.948 284645.41 22318.18 289573.00 38679.94 282186.09 27325.71  833.352   57.516  829.062   40.592 4.289124 70.39741 
1 1 1    0   16    2 o  402.572   17.042 65931.48  5570.66 69693.59  9652.37 64052.58  6821.33  412.088   29.033  395.998   21.293 16.08951 36.00416 
1 1 1    0   16    3 o  474.324   23.632 91733.58  9101.60 93025.00 12922.30 90462.23 12821.50  475.438   33.692  468.771   33.914 6.666840 47.80524 
1 1 1    0   16    4 o  565.371   27.713 130655.40 12722.09 135221.41 18054.00 126151.90 17930.15  571.969   39.109  552.064   40.278 19.90546 56.14079 
1 1 1    0   16    5 o  791.936   38.151 258647.70 24531.80 278254.50 34766.86 239206.09 34620.01  814.030   52.887  752.441   57.091 61.58899 77.82271 
1 1 1    0   16    6 o  238.085   13.531 23144.25  2604.96 25249.36  3778.99 21238.33  3595.76  248.072   18.903  227.285   19.678 20.78786 27.28694 
1 1 1    0   16    7 o  106.265   10.286  4635.52  876.371  5119.85  1333.80  4267.59  1162.53  111.062   15.189  101.322   14.548 9.740555 21.03189 
1 1 1    0   16    8 o  469.923   18.790 90288.81  7169.50 93595.23 12649.94 88724.12  8702.10  473.882   33.084  465.008   23.048 8.873718 40.32024 
1 1 1    0   16    9 o  305.491   12.687 38023.60  3147.06 40582.71  5689.40 36895.39  3777.60  313.634   22.490  300.262   15.548 13.37247 27.34143 
1 1 1    0   16   10 o  572.386   23.203 134778.59 10783.83 137550.80 18934.70 133447.59 13119.46  568.926   41.269  566.955   28.591 1.971619 50.20572 
1 1 1    0   16   11 o  446.913   18.498 81863.24  6712.52 81496.73 11901.09 82034.24  8128.92  440.003   33.565  445.816   22.529 -5.812988 40.42471 
1 1 1    0   16   12 o  613.898   25.329 156153.50 12625.79 143758.80 22145.96 162122.30 15367.99  572.634   48.075  622.765   30.392 -50.13098 56.87558 
1 1 1    0   16   13 o  166.839   9.0085 11367.47  1215.83 12818.69  2456.58 10896.65  1399.23  175.867   17.433  163.146   10.621 12.72133 20.41318 
1 1 1    0   16   14 o  457.273   18.701 86190.37  6943.54 88071.70 12348.21 85320.43  8396.82  453.507   33.776  452.713   22.918 0.7940369 40.81696 
1 1 1    0   16   15 o   50.695   11.828  1093.43  477.991  1179.73  1182.95  1076.58  522.549   57.110   20.299   50.306   12.770 6.803917 23.98228 
1 1 1    0   16   16 o   35.141   13.460  347.677  537.222  2191.03  1781.04  163.178  563.466   73.723   24.979   32.738   13.376 40.98451 28.33498 
1 1 1    0   16   17 o   42.276   14.407  689.261  592.512  1392.07  1559.23  570.646  640.563   62.570   23.152   40.784   14.880 21.78559 27.52154 
1 1 1    0   16   18 o  136.708   10.332  7748.16  1138.38  8002.77  2487.29  7680.70  1280.35  133.382   23.841  135.702   11.735 -2.320175 26.57312 
1 1 1    0   16   19 o  126.237   11.542  6680.08  1169.94  6498.25  2638.10  6724.59  1305.32  116.214   28.236  126.164   12.925 -9.950645 31.05316 
1 1 1    0   16   20 o   52.687   18.373  1131.26  965.599  810.961  2718.47  1177.50  1032.96   65.804   28.272   53.883   18.988 11.92134 34.05669 
1 1 1    0   16   21 o  124.414   12.449  6626.74  1240.74  8225.58  3212.80  6346.50  1345.10  122.810   31.924  120.946   13.953 1.864021 34.83984 
1 1 1    0   16   22 o   69.123   18.097  2260.60  1027.67  1458.27  3654.05  2329.51  1070.89   69.842   31.275   69.973   18.548 -0.1317291 36.36134 
1 1 1    0   16   23 o   74.065   24.673  3066.34  1737.64   0.0000   0.0000  3066.34  1737.64  ?   ?    74.065   24.673 0.000000 24.67264 
1 1 1    0   16   24 o   65.787   24.819  2724.82  1809.10   0.0000   0.0000  2724.82  1809.10  ?   ?    65.787   24.819 0.000000 24.81850 
1 1 1    0   18    0 o  1266.25   89.762 683214.31 91690.93   0.0000   0.0000 683214.31 91690.93  ?   ?   1266.25   89.762 0.000000 89.76201 
1 1 1    0   18    1 o  484.486   19.897 95726.38  7827.02 108707.20 13611.25 89313.41  9567.03  513.295   32.830  466.649   25.344 46.64560 41.47475 
1 1 1    0   18    2 o  902.643   35.708 335948.59 26170.97 371495.19 45353.51 318203.59 32044.26  934.456   60.093  873.294   45.347 61.16113 75.28283 
1 1 1    0   18    3 o  620.198   30.441 158105.70 15329.37 165808.41 21755.65 150510.70 21603.16  630.017   42.782  599.341   44.714 30.67596 61.88413 
1 1 1    0   18    4 o  708.088   34.604 207281.70 19895.21 218650.41 28212.95 196036.00 28059.82  719.549   48.574  679.693   51.220 39.85577 70.58928 
1 1 1    0   18    5 o  139.208   11.116  7934.59  1246.00  9343.81  1847.22  6758.14  1687.78  150.629   15.316  127.641   16.684 22.98803 22.64848 
1 1 1    0   18    6 o  259.315   21.825 27746.31  4552.65 27746.31  4552.65   0.0000   0.0000  259.315   21.825  ?   ?  0.000000 21.82501 
1 1 1    0   18    7 o  381.569   20.007 59773.80  6177.03 58115.09  8847.90 61350.93  8627.56  373.822   29.387  384.617   27.814 -10.79529 40.46220 
1 1 1    0   18    8 o  232.987   9.0286 22079.68  1708.01 30799.51  3246.26 18741.75  2008.48  274.368   14.625  214.213   11.591 60.15540 18.66058 
1 1 1    0   18    9 o  319.261   12.198 41538.92  3161.99 50135.91  5794.69 37893.75  3773.26  348.945   20.543  304.219   15.325 44.72626 25.62888 
1 1 1    0   18   10 o  204.711   9.1226 17054.00  1516.35 20749.50  2976.38 15758.61  1762.19  224.617   16.434  196.360   11.098 28.25653 19.82998 
1 1 1    0   18   11 o  314.491   14.079 40413.14  3595.28 37002.11  6575.93 41867.49  4293.87  297.059   27.578  319.277   16.621 -22.21805 32.19904 
1 1 1    0   18   12 o  289.548   12.814 34245.30  3012.59 33479.25  5605.02 34556.50  3572.49  282.981   24.640  290.110   15.219 -7.129303 28.96100 
1 1 1    0   18   13 f   17.517   8.2901 -373.0841  312.841 -467.6266  1152.58 -365.5650  325.043   39.482   17.630   18.092   8.5279 21.39008 19.58464 
1 1 1    0   18   14 o  561.976   23.394 132011.09 10674.91 127437.00 18907.92 134151.20 12933.28  531.617   44.204  562.054   28.432 -30.43683 52.55832 
1 1 1    0   18   15 o   98.485   9.1626  3995.97  724.292  1292.55  2076.32  4370.51  772.838   67.372   26.283  103.006   9.3420 -35.63378 27.89403 
1 1 1    0   18   16 o   50.413   12.470  1089.58  507.604  1556.35  1800.98  1049.30  529.052   66.573   24.833   49.505   12.996 17.06784 28.02808 
1 1 1    0   18   17 f   49.737   15.318  1040.31  679.478 -1735.3070  2194.92  1334.50  714.580   48.493   22.633   55.562   15.337 -7.068268 27.33978 
1 1 1    0   18   18 o  158.186   10.729 10405.67  1369.95 13209.60  3381.63  9855.15  1498.41  170.006   25.266  153.421   12.127 16.58430 28.02571 
1 1 1    0   18   19 o  270.329   13.481 30826.54  2958.97 31934.55  5901.86 30454.51  3419.84  257.849   28.675  266.365   15.884 -8.516113 32.78068 
1 1 1    0   18   20 o   69.738   15.909  2182.48  880.920  1998.52  3011.23  2199.70  921.222   73.810   30.617   69.817   16.510 3.993225 34.78431 
1 1 1    0   18   21 o   89.619   20.147  3824.47  1430.38  1603.25  3464.09  4281.03  1570.52   71.126   31.217   94.360   21.035 -23.23372 37.64254 
1 1 1    0   18   22 o   69.454   24.718  2533.67  1754.53   0.0000   0.0000  2533.67  1754.53  ?   ?    69.454   24.718 0.000000 24.71817 
1 1 1    0   18   23 o   93.167   24.141  4963.58  1841.14   0.0000   0.0000  4963.58  1841.14  ?   ?    93.167   24.141 0.000000 24.14148 
1 1 1    0   20    0 o  198.403   18.770 16175.00  2987.88   0.0000   0.0000 16175.00  2987.88  ?   ?   198.403   18.770 0.000000 18.77014 
1 1 1    0   20    1 o  214.524   13.705 18824.73  2374.75   0.0000   0.0000 18824.73  2374.75  ?   ?   214.524   13.705 0.000000 13.70495 
1 1 1    0   20    2 o  140.646   9.8874  8085.50  1121.97  8376.61  1998.91  7951.60  1355.65  142.135   17.704  139.231   12.112 2.904541 21.45072 
1 1 1    0   20    3 o  513.573   21.691 108090.60  9045.22 119411.40 15690.71 102456.00 11069.66  534.154   36.394  497.880   27.489 36.27448 45.60903 
1 1 1    0   20    4 o  327.686   26.118 44481.23  6891.57 44481.23  6891.57   0.0000   0.0000  327.686   26.118  ?   ?  0.000000 26.11823 
1 1 1    0   20    5 o  606.133   30.486 152552.00 14955.90 153552.50 21267.97 151573.30 21035.63  601.050   43.882  597.270   43.679 3.780029 61.91508 
1 1 1    0   20    6 o  639.112   32.387 170286.20 16751.87 165192.50 23835.82 175257.70 23548.24  620.096   47.707  640.308   45.591 -20.21271 65.98819 
1 1 1    0   20    7 o  267.174   15.746 29260.03  3400.86 27000.83  4976.21 31240.01  4658.57  254.890   24.340  275.098   21.015 -20.20720 32.15666 
1 1 1    0   20    8 o   95.652   12.132  3788.47  921.079  4619.66  1491.28  3275.81  1171.18  104.727   18.198   88.015   17.004 16.71193 24.90541 
1 1 1    0   20    9 o  188.856   8.6147 14512.80  1321.02 17967.64  2678.40 13402.22  1518.58  208.980   15.904  181.101   10.370 27.87808 18.98623 
1 1 1    0   20   10 o  269.675   12.448 29680.80  2725.77 26545.14  5146.90 30903.08  3213.40  251.719   25.536  274.546   14.466 -22.82753 29.34837 
1 1 1    0   20   11 o  324.083   13.170 42925.28  3465.73 48362.57  6456.19 40724.19  4107.75  340.788   23.475  314.743   16.128 26.04419 28.48143 
1 1 1    0   20   12 o  125.746   8.5813  6470.17  870.928  5984.04  1992.68  6584.96  968.312  118.461   21.509  126.753   9.4770 -8.292068 23.50426 
1 1 1    0   20   13 o  193.545   10.278 15339.13  1609.39 14967.79  3356.01 15450.03  1834.04  188.206   22.401  194.002   11.698 -5.795883 25.27133 
1 1 1    0   20   14 o  137.879   9.1077  7799.12  1013.90 14248.90  2618.35  6661.42  1099.69  184.405   17.705  127.102   10.757 57.30227 20.71621 
1 1 1    0   20   15 o  240.405   11.708 23796.13  2285.41 28763.23  4875.78 22397.57  2587.22  258.004   23.533  232.226   13.783 25.77856 27.27234 
1 1 1    0   20   16 o  132.712   10.355  7295.30  1107.02 10909.10  3129.27  6778.34  1183.55  155.671   25.651  127.581   11.550 28.08947 28.13119 
1 1 1    0   20   17 o   48.360   15.275  979.397  671.089  4448.61  2251.33  641.078  703.050   97.120   27.373   42.651   15.585 54.46916 31.49871 
1 1 1    0   20   18 o  212.449   16.616 19455.88  2843.49 19322.20  4973.63 19520.79  3465.76  197.219   32.168  209.583   20.633 -12.36356 38.21669 
1 1 1    0   20   19 o  127.199   17.510  7175.86  1760.48  8476.39  3391.36  6696.13  2059.74  125.992   32.822  120.041   21.941 5.951462 39.48038 
1 1 1    0   20   20 o   45.966   16.805  816.120  817.615  2336.60  2982.82  692.597  850.178   74.073   30.578   44.526   16.962 29.54701 34.96716 
1 1 1    0   20   21 o   44.616   17.264  708.928  890.164   0.0000   0.0000  708.928  890.164  ?   ?    44.616   17.264 0.000000 17.26382 
1 1 1    0   20   22 o   56.200   19.813  1549.15  1124.68   0.0000   0.0000  1549.15  1124.68  ?   ?    56.200   19.813 0.000000 19.81266 
1 1 1    0   20   23 o   75.071   26.869  3962.78  2076.00   0.0000   0.0000  3962.78  2076.00  ?   ?    75.071   26.869 0.000000 26.86927 
1 1 1    0   22    2 o  884.258   45.391 333383.81 32480.19 314552.50 46081.18 351976.31 45788.08  833.775   68.678  888.227   63.915 -54.45239 93.81785 
1 1 1    0   22    3 o  483.361   25.352 96562.53  9915.19 91971.23 14175.09 100960.90 13874.14  466.714   37.728  490.373   35.077 -23.65894 51.51501 
1 1 1    0   22    4 f  200.040   11.894 16360.22  1923.22 14346.06  3321.25 17376.31  2358.97  185.505   22.511  205.884   14.198 -20.37880 26.61445 
1 1 1    0   22    5 o  242.887   15.235 24189.62  2989.31 22395.03  4396.68 25732.35  4076.49  232.014   23.670  249.615   20.289 -17.60094 31.17522 
1 1 1    0   22    6 o  191.887   13.666 15101.63  2115.26 14218.97  3173.42 15807.33  2837.54  184.741   21.561  195.617   18.069 -10.87636 28.13132 
1 1 1    0   22    7 o   89.483   13.058  3335.32  920.786  3282.53  1564.97  3363.27  1138.76   87.590   22.027   89.294   16.307 -1.704002 27.40599 
1 1 1    0   22    8 o  180.513   13.541 13382.84  1970.31 11165.70  2986.34 15091.93  2621.95  162.837   23.246  191.144   17.073 -28.30702 28.84250 
1 1 1    0   22    9 o  408.231   14.617 68188.23  4845.12 79207.20  8903.31 63551.99  5775.15  435.949   25.261  393.298   18.084 42.65149 31.06667 
1 1 1    0   22   10 o  191.417   10.190 14980.60  1578.02 15232.46  3333.66 14907.87  1791.44  190.649   21.935  190.750   11.622 -0.1005554 24.82358 
1 1 1    0   22   11 o  280.997   13.315 32327.88  3037.99 26373.19  5851.23 34525.55  3554.67  248.193   29.620  289.647   15.167 -41.45357 33.27735 
1 1 1    0   22   12 o  319.017   14.632 41843.43  3790.20 36020.14  7179.27 44093.66  4462.82  288.274   31.168  326.386   16.898 -38.11151 35.45368 
1 1 1    0   22   13 f  320.909   13.707 42436.09  3571.73 49843.79  7041.60 39869.99  4144.45  340.755   25.638  309.602   16.546 31.15314 30.51375 
1 1 1    0   22   14 o  122.370   9.4437  6172.57  931.077  8738.76  3086.30  5915.64  976.576  138.844   28.335  119.641   10.149 19.20296 30.09804 
1 1 1    0   22   15 o  137.627   10.790  7856.15  1196.13  5849.43  3113.41  8203.63  1295.56  110.615   32.511  140.469   11.459 -29.85368 34.47093 
1 1 1    0   22   16 o   78.015   15.960  2658.85  976.942  501.638  2594.32  3015.30  1054.57   64.604   27.684   83.123   16.207 -18.51858 32.07887 
1 1 1    0   22   17 o  174.928   15.742 13128.67  2212.03 15622.21  4033.31 12056.00  2645.38  180.922   28.390  164.793   20.193 16.12859 34.83879 
1 1 1    0   22   18 o  143.329   11.964  8685.88  1379.66  5815.10  4281.88  9018.44  1457.38  101.651   38.217  145.839   12.426 -44.18747 40.18609 
1 1 1    0   22   19 o  144.428   12.750  8945.98  1479.81  8743.65  4146.45  8975.51  1584.13  118.283   38.035  144.080   13.706 -25.79680 40.42873 
1 1 1    0   22   20 o   38.426   16.327  185.650  888.542 -4269.0439  3496.01  493.281  918.710   50.437   24.766   42.397   17.170 8.039021 30.13570 
1 1 1    0   22   21 o   40.046   17.180  239.390  1001.09   0.0000   0.0000  239.390  1001.09  ?   ?    40.046   17.180 0.000000 17.17955 
1 1 1    0   22   22 o   41.852   19.106 -85.7086  1443.91   0.0000   0.0000 -85.7086  1443.91  ?   ?    41.852   19.106 0.000000 19.10640 
1 1 1    0   24    0 o  589.140   43.346 145308.50 20589.28   0.0000   0.0000 145308.50 20589.28  ?   ?   589.140   43.346 0.000000 43.34559 
1 1 1    0   24    1 o   95.851   15.256  3845.50  1147.56   0.0000   0.0000  3845.50  1147.56  ?   ?    95.851   15.256 0.000000 15.25620 
1 1 1    0   24    2 o  346.099   16.122 48991.04  4530.72 44572.33  8003.19 51075.08  5496.26  325.697   30.622  352.317   19.286 -26.61981 36.18969 
1 1 1    0   24    3 o  522.065   22.414 112284.50  9501.46 113661.90 16575.39 111610.30 11595.67  515.878   39.881  517.837   27.678 -1.959412 48.54459 
1 1 1    0   24    4 f  761.522   31.649 242660.20 19569.81 226098.59 33962.18 250892.70 23944.70  706.930   59.726  768.992   38.349 -62.06158 70.97768 
1 1 1    0   24    5 o   78.874   14.439  2621.33  890.670  2072.67  1424.40  2973.58  1141.32   71.135   22.223   83.658   17.370 -12.52368 28.20576 
1 1 1    0   24    6 o  216.941   15.226 19351.90  2665.05 16369.12  4047.57 21634.71  3540.94  196.951   25.942  228.609   19.255 -31.65820 32.30690 
1 1 1    0   24    7 o  260.733   16.255 27975.36  3424.05 29216.30  5149.28 26991.73  4584.47  264.344   24.261  254.550   22.409 9.794037 33.02700 
1 1 1    0   24    8 o  168.370   14.089 11680.94  1908.47 11642.13  3041.25 11706.15  2451.18  166.040   23.191  167.715   18.296 -1.674591 29.53946 
1 1 1    0   24    9 o  305.434   18.480 38601.05  4561.63 34744.43  6806.07 41746.38  6146.48  285.426   29.807  315.616   24.168 -30.18988 38.37391 
1 1 1    0   24   10 o  234.574   12.367 22585.93  2347.18 17153.73  4872.09 24227.77  2678.50  198.320   31.294  242.690   13.648 -44.37000 34.14040 
1 1 1    0   24   11 o   80.173   9.3061  2659.68  594.538  5044.25  1970.73  2420.92  623.593  107.571   23.242   76.262   10.337 31.30852 25.43666 
1 1 1    0   24   12 o  130.988   9.1353  7051.32  965.531 11072.77  2819.64  6517.13  1027.66  160.300   22.264  125.720   10.154 34.58027 24.47034 
1 1 1    0   24   13 o  181.676   15.191 13842.29  2220.29 16453.67  4124.03 12776.43  2634.73  191.909   27.230  172.906   19.085 19.00296 33.25182 
1 1 1    0   24   14 f   47.557   17.258  811.906  860.026  2542.08  2896.02  644.565  900.656   81.736   31.265   45.708   17.447 36.02805 35.80354 
1 1 1    0   24   15 o   63.500   13.050  1741.50  650.381  2182.95  2667.88  1713.60  670.613   76.657   29.824   62.870   13.537 13.78677 32.75259 
1 1 1    0   24   16 o  197.928   11.699 16397.07  1871.75 19288.29  4709.03 15854.58  2039.81  199.524   29.995  193.919   13.031 5.605057 32.70316 
1 1 1    0   24   17 o  177.900   11.729 13332.12  1684.70 12945.58  4586.50 13392.40  1811.32  152.175   37.388  177.794   12.629 -25.61909 39.46323 
1 1 1    0   24   18 o  162.770   12.391 11307.60  1625.41 12900.80  4644.73 11085.27  1735.12  145.583   38.647  160.472   13.440 -14.88875 40.91772 
1 1 1    0   24   19 o   29.614   13.843 -667.4147  826.241 -4950.3618  4542.88 -520.8929  840.255   56.700   27.918   31.021   14.313 25.67817 31.37310 
1 1 1    0   24   20 o   39.812   17.357  114.932  1055.18   0.0000   0.0000  114.932  1055.18  ?   ?    39.812   17.357 0.000000 17.35685 
1 1 1    0   24   21 o   53.623   19.583  1435.38  1109.83   0.0000   0.0000  1435.38  1109.83  ?   ?    53.623   19.583 0.000000 19.58302 
1 1 1    0   26    0 o  187.153   22.349 14541.88  3329.08   0.0000   0.0000 14541.88  3329.08  ?   ?   187.153   22.349 0.000000 22.34944 
1 1 1    0   26    1 o  314.008   19.047 40681.38  4833.46   0.0000   0.0000 40681.38  4833.46  ?   ?   314.008   19.047 0.000000 19.04747 
1 1 1    0   26    2 o  313.644   19.203 40607.38  4866.74   0.0000   0.0000 40607.38  4866.74  ?   ?   313.644   19.203 0.000000 19.20258 
1 1 1    0   26    3 o  555.642   23.662 127916.80 10675.33 125606.20 18712.67 129031.70 12997.99  536.682   43.311  554.603   28.964 -17.92114 52.10336 
1 1 1    0   26    4 o  393.137   18.136 63536.09  5789.28 59702.91 10176.29 65370.34  7039.43  374.039   33.874  397.068   21.919 -23.02969 40.34745 
1 1 1    0   26    5 o  122.426   13.546  6203.09  1323.95  6419.11  2273.48  6092.24  1628.59  122.392   23.734  120.636   17.106 1.756134 29.25549 
1 1 1    0   26    6 o  137.227   15.052  7810.13  1649.58  7772.75  2671.11  7833.17  2097.32  134.445   25.399  136.479   19.479 -2.033768 32.00863 
1 1 1    0   26    7 o  177.915   15.476 13094.01  2213.47 11784.94  3540.10 13934.30  2836.26  165.480   27.299  182.635   19.424 -17.15488 33.50438 
1 1 1    0   26    8 o  543.807   29.691 126262.10 13060.46 121415.90 18922.90 130670.80 18048.67  516.496   45.589  540.977   41.404 -24.48132 61.58440 
1 1 1    0   26    9 o  304.878   18.733 38760.95  4614.98 38754.77  7011.26 38765.68  6130.23  299.316   29.222  301.685   25.258 -2.368958 38.62470 
1 1 1    0   26   10 f  177.020   15.187 13058.55  2161.82 13057.62  3656.05 13059.05  2680.65  172.436   26.998  175.731   19.094 -3.294815 33.06787 
1 1 1    0   26   11 o  261.386   17.985 28799.72  3793.92 28714.06  6168.81 28851.83  4811.48  252.436   30.730  258.543   23.165 -6.106186 38.48348 
1 1 1    0   26   12 o   45.224   11.451  876.497  420.927  1831.95  2352.05  844.885  427.834   73.002   28.114   44.435   11.698 28.56779 30.45084 
1 1 1    0   26   13 o   22.681   10.321 -251.9681  417.049  1082.15  2820.87 -281.7808  421.683   70.676   29.501   22.488   10.289 48.18776 31.24354 
1 1 1    0   26   14 o   63.189   13.519  1732.97  672.676  8211.26  3453.84  1477.55  685.808  128.033   33.011   58.135   14.560 69.89774 36.07975 
1 1 1    0   26   15 o   46.599   14.315  925.380  593.878  2021.29  3119.12  884.157  604.945   76.680   31.416   45.826   14.506 30.85457 34.60365 
1 1 1    0   26   16 o  128.032   11.436  6922.09  1176.31  7260.26  4652.44  6898.99  1215.82  109.755   40.093  127.629   11.868 -17.87487 41.81279 
1 1 1    0   26   17 o   33.819   14.203  134.521  659.957 -3675.2141  4370.93  223.398  667.610   60.204   29.139   35.150   14.483 25.05423 32.53992 
1 1 1    0   26   18 o   60.034   17.656  1682.61  918.041  3548.78  4191.22  1588.57  940.890   80.836   34.918   58.449   18.029 22.38660 39.29794 
1 1 1    0   26   19 o   70.537   17.823  2412.97  1021.20   0.0000   0.0000  2412.97  1021.20  ?   ?    70.537   17.823 0.000000 17.82312 
1 1 1    0   26   20 o  103.554   17.847  5309.71  1446.46   0.0000   0.0000  5309.71  1446.46  ?   ?   103.554   17.847 0.000000 17.84724 
1 1 1    0   28    0 o  240.824   25.470 24144.26  4904.84   0.0000   0.0000 24144.26  4904.84  ?   ?   240.824   25.470 0.000000 25.46992 
1 1 1    0   28    1 o  335.534   20.708 46765.51  5614.05   0.0000   0.0000 46765.51  5614.05  ?   ?   335.534   20.708 0.000000 20.70758 
1 1 1    0   28    2 o   87.093   20.743  3264.20  1445.89   0.0000   0.0000  3264.20  1445.89  ?   ?    87.093   20.743 0.000000 20.74302 
1 1 1    0   28    3 o  101.840   16.450  4370.03  1313.91  7082.61  2472.12  3302.09  1551.14  128.200   24.644   87.487   21.889 40.71312 32.96177 
1 1 1    0   28    4 o  210.284   15.076 18254.27  2557.06 12941.89  4605.50 20621.72  3074.48  170.732   34.410  223.059   17.105 -52.32715 38.42755 
1 1 1    0   28    5 o  377.773   18.265 59040.66  5602.59 61353.60  9879.03 57944.07  6802.26  376.321   32.655  371.768   22.642 4.552948 39.73648 
1 1 1    0   28    6 o  529.170   29.816 120515.30 12758.75 115188.60 18574.33 125274.00 17555.90  497.783   46.493  526.001   41.441 -28.21762 62.28160 
1 1 1    0   28    7 o  174.587   16.064 12715.35  2251.70 13425.90  3756.93 12317.02  2812.90  175.274   27.286  170.296   20.773 4.978561 34.29380 
1 1 1    0   28    8 o  105.391   17.079  4735.28  1411.50  8068.75  2756.31  3550.36  1643.32  134.973   26.094   89.788   22.567 45.18536 34.49887 
1 1 1    0   28    9 o   62.008   20.295  1584.88  1177.58 -727.2310  3039.93  1993.09  1277.31   64.097   28.626   68.257   20.998 -4.160271 35.50211 
1 1 1    0   28   10 o   39.482   10.648  663.379  349.174  6500.87  3151.96  590.850  351.336  117.102   32.164   37.493   10.893 79.60912 33.95836 
1 1 1    0   28   11 o  121.179   9.6150  6076.99  938.284  5141.22  3932.07  6133.49  966.196  104.215   37.013  121.684   9.8639 -17.46881 38.30470 
1 1 1    0   28   12 o  109.399   10.336  4986.38  907.278  6569.96  3976.21  4899.41  931.861  113.254   37.303  108.324   10.736 4.930672 38.81733 
1 1 1    0   28   13 o  123.482   10.048  6349.52  998.681  5580.16  4352.99  6392.27  1026.05  104.037   38.646  123.822   10.299 -19.78523 39.99512 
1 1 1    0   28   14 o  107.438   10.506  4844.19  904.757 11645.84  4368.21  4539.33  924.811  146.152   36.825  103.757   11.152 42.39449 38.47702 
1 1 1    0   28   15 o   17.938   8.8572 -1015.9280  468.384 -1178.2040  4002.49 -1013.6750  471.625   65.869   30.682   18.052   8.9086 47.81698 31.94935 
1 1 1    0   28   16 o   27.082   12.386 -355.5527  610.379  2373.80  4622.57 -403.9844  615.771   79.788   35.491   26.773   12.317 53.01536 37.56718 
1 1 1    0   28   17 f   65.524   16.630  2001.66  886.288 -7793.3970  5691.32  2245.09  897.234   58.155   29.068   69.654   16.174 -11.49923 33.26533 
1 1 1    0   28   18 o   40.329   16.472  451.641  854.211   0.0000   0.0000  451.641  854.211  ?   ?    40.329   16.472 0.000000 16.47237 
1 1 1    0   28   19 o   30.051   14.423 -1081.3790  1018.34   0.0000   0.0000 -1081.3790  1018.34  ?   ?    30.051   14.423 0.000000 14.42279 
1 1 1    0   30    0 o  299.113   29.392 37768.30  7046.14   0.0000   0.0000 37768.30  7046.14  ?   ?   299.113   29.392 0.000000 29.39159 
1 1 1    0   30    1 o  238.104   27.078 24494.79  5142.03   0.0000   0.0000 24494.79  5142.03  ?   ?   238.104   27.078 0.000000 27.07843 
1 1 1    0   30    2 o   38.891   17.894 -934.2344  1300.18   0.0000   0.0000 -934.2344  1300.18  ?   ?    38.891   17.894 0.000000 17.89399 
1 1 1    0   30    3 o  283.506   27.445 34847.75  6238.69   0.0000   0.0000 34847.75  6238.69  ?   ?   283.506   27.445 0.000000 27.44504 
1 1 1    0   30    4 o  265.583   19.599 29728.20  4196.49 36037.26  6860.13 25955.60  5304.81  285.837   30.006  243.937   27.248 41.90021 40.53157 
1 1 1    0   30    5 o  307.582   17.775 39679.34  4420.26 39380.33  7955.82 39812.86  5316.33  294.514   33.887  305.829   21.547 -11.31543 40.15687 
1 1 1    0   30    6 o  274.770   17.255 31726.22  3830.05 35403.61  6920.39 30102.47  4598.54  280.313   30.920  265.131   21.547 15.18237 37.68711 
1 1 1    0   30    7 o  242.879   17.442 24921.34  3416.78 33258.94  6575.16 21837.01  3999.14  270.653   30.448  224.566   22.224 46.08769 37.69617 
1 1 1    0   30    8 o  199.563   18.585 17026.62  2976.84 19313.47  5645.37 16145.85  3503.51  199.941   36.102  191.816   22.950 8.125031 42.77966 
1 1 1    0   30    9 o   92.674   21.971  3867.85  1628.10  3750.08  4096.96  3889.94  1774.20   95.080   36.968   92.468   23.563 2.612320 43.83858 
1 1 1    0   30   10 o  196.052   18.488 16605.30  2908.26 22063.44  5755.88 14734.17  3370.09  211.792   34.671  181.364   23.433 30.42754 41.84683 
1 1 1    0   30   11 o   68.864   10.621  2008.61  574.778  9331.63  4266.27  1873.23  580.066  131.999   37.847   66.312   11.170 65.68683 39.46061 
1 1 1    0   30   12 o  102.012   9.9049  4351.07  810.087 12937.97  4113.56  4004.62  826.267  159.514   32.854   97.624   10.594 61.89009 34.51968 
1 1 1    0   30   13 o  151.305   11.320  9636.14  1380.69  8451.81  5161.81  9727.40  1432.90  115.972   42.251  151.835   11.713 -35.86269 43.84470 
1 1 1    0   30   14 o   47.057   15.131  949.641  656.198 -2184.7371  4164.09  1029.46  664.501   63.114   29.978   48.638   15.176 14.47632 33.60003 
1 1 1    0   30   15 o   31.888   13.409  115.773  589.357  8171.29  5508.84   22.506  592.759  103.611   42.016   30.741   13.205 72.86975 44.04213 
1 1 1    0   30   16 o   99.355   12.993  4350.07  1023.11  7304.88  6356.27  4271.48  1036.63   91.101   40.986   98.239   13.341 -7.137886 43.10245 
1 1 1    0   30   17 o   58.986   16.596  1676.51  828.284   0.0000   0.0000  1676.51  828.284  ?   ?    58.986   16.596 0.000000 16.59559 
1 1 1    0   30   18 o   83.681   17.657  3521.99  1162.01   0.0000   0.0000  3521.99  1162.01  ?   ?    83.681   17.657 0.000000 17.65687 
1 1 1    0   32    0 o  150.584   31.882 10068.26  3776.83   0.0000   0.0000 10068.26  3776.83  ?   ?   150.584   31.882 0.000000 31.88248 
1 1 1    0   32    1 o   87.294   32.460  3022.01  3072.40   0.0000   0.0000  3022.01  3072.40  ?   ?    87.294   32.460 0.000000 32.45973 
1 1 1    0   32    2 f   62.555   27.694 -406.9661  2782.51   0.0000   0.0000 -406.9661  2782.51  ?   ?    62.555   27.694 0.000000 27.69373 
1 1 1    0   32    3 o   89.482   34.289  3090.62  3487.13   0.0000   0.0000  3090.62  3487.13  ?   ?    89.482   34.289 0.000000 34.28864 
1 1 1    0   32    4 o  213.019   38.402 22280.40  6397.86   0.0000   0.0000 22280.40  6397.86  ?   ?   213.019   38.402 0.000000 38.40221 
1 1 1    0   32    5 o  106.318   39.867  5213.17  4653.69   0.0000   0.0000  5213.17  4653.69  ?   ?   106.318   39.867 0.000000 39.86689 
1 1 1    0   32    6 f  181.264   21.978 14454.37  3168.57   0.0000   0.0000 14454.37  3168.57  ?   ?   181.264   21.978 0.000000 21.97774 
1 1 1    0   32    7 o  203.973   22.165 18385.11  3611.87   0.0000   0.0000 18385.11  3611.87  ?   ?   203.973   22.165 0.000000 22.16508 
1 1 1    0   32    8 o  106.332   25.342  5280.87  2156.93   0.0000   0.0000  5280.87  2156.93  ?   ?   106.332   25.342 0.000000 25.34174 
1 1 1    0   32    9 o   65.996   22.474  1870.71  1441.81  4608.82  4598.59  1572.21  1518.37   98.278   38.878   62.915   22.916 35.36333 45.12962 
1 1 1    0   32   10 o   56.844   23.528  737.006  1772.81  3818.84  4593.35  197.592  1921.70   92.427   38.026   54.486   23.590 37.94075 44.74889 
1 1 1    0   32   11 o   99.700   10.220  4178.23  815.660  353.736  5260.16  4272.45  825.647   79.118   36.250  100.826   10.227 -21.70786 37.66516 
1 1 1    0   32   12 o   43.167   12.436  808.899  459.625  2540.01  5115.71  794.811  461.491   84.132   37.383   42.837   12.496 41.29570 39.41662 
1 1 1    0   32   13 o   82.751   11.531  2948.09  753.725  8413.76  5414.14  2840.06  761.137  107.035   42.235   81.040   11.924 25.99532 43.88597 
1 1 1    0   32   14 o   31.113   12.755  187.389  514.501 -15095.5098  6648.10  279.474  516.049   54.974   27.939   32.630   12.987 22.34426 30.81033 
1 1 1    0   32   15 o   27.342   12.199 -146.7780  550.528  6177.47  7099.17 -185.0404  552.190   83.372   39.466   26.956   12.108 56.41596 41.28185 
1 1 1    0   32   16 o   37.105   14.777  440.091  668.451   0.0000   0.0000  440.091  668.451  ?   ?    37.105   14.777 0.000000 14.77702 
1 1 1    0   32   17 o   36.604   15.330  345.888  765.331   0.0000   0.0000  345.888  765.331  ?   ?    36.604   15.330 0.000000 15.32992 
1 1 1    0   34    0 o  188.258   33.324 16018.54  4907.41   0.0000   0.0000 16018.54  4907.41  ?   ?   188.258   33.324 0.000000 33.32361 
1 1 1    0   34    1 o  105.771   26.811  5250.91  2305.69   0.0000   0.0000  5250.91  2305.69  ?   ?   105.771   26.811 0.000000 26.81131 
1 1 1    0   34    2 o  134.714   25.949  8382.05  2735.41   0.0000   0.0000  8382.05  2735.41  ?   ?   134.714   25.949 0.000000 25.94883 
1 1 1    0   34    3 o   34.096   16.629 -2551.5181  1498.62   0.0000   0.0000 -2551.5181  1498.62  ?   ?    34.096   16.629 0.000000 16.62949 
1 1 1    0   34    4 o   94.411   28.219  4247.72  2329.93   0.0000   0.0000  4247.72  2329.93  ?   ?    94.411   28.219 0.000000 28.21864 
1 1 1    0   34    5 o  154.776   22.148 10767.66  2704.08 16075.43  6304.78  9571.21  2993.37  165.676   45.483  142.682   26.822 22.99355 52.80299 
1 1 1    0   34    6 o   95.308   25.559  4314.11  2018.58  5779.38  5374.80  4073.50  2178.02  105.228   41.904   92.109   27.226 13.11919 49.97174 
1 1 1    0   34    7 o  146.225   41.166 12342.57  5094.77 12322.81  6709.40 12369.48  7829.88  135.736   48.334  131.432   51.105 4.304092 70.34081 
1 1 1    0   34    8 o   98.292   40.003  5068.53  5015.10 -3916.8850  6149.90 22905.43  8664.81   73.158   35.198  173.881   54.884 -100.7224 65.20094 
1 1 1    0   34    9 o  157.875   47.218 16993.97  6521.94 12818.87  8059.85 24913.09 11100.24  125.205   50.805  153.620   60.520 -28.41515 79.01761 
1 1 1    0   34   10 o  129.388   51.073 14868.25  7919.48 14868.25  7919.48   0.0000   0.0000  129.388   51.073  ?   ?  0.000000 51.07267 
1 1 1    0   34   11 o   93.685   10.871  3745.17  811.567   0.0000   0.0000  3745.17  811.567  ?   ?    93.685   10.871 0.000000 10.87085 
1 1 1    0   34   12 o   73.643   12.397  2383.00  714.933   0.0000   0.0000  2383.00  714.933  ?   ?    73.643   12.397 0.000000 12.39657 
1 1 1    0   34   13 o   25.545   11.091 -24.2671  427.134   0.0000   0.0000 -24.2671  427.134  ?   ?    25.545   11.091 0.000000 11.09071 
1 1 1    0   34   14 o   29.602   12.530  103.813  520.194   0.0000   0.0000  103.813  520.194  ?   ?    29.602   12.530 0.000000 12.53026 
1 1 1    0   34   15 o   48.474   15.876  1128.79  720.619   0.0000   0.0000  1128.79  720.619  ?   ?    48.474   15.876 0.000000 15.87633 
1 1 1    0   36    0 o  267.157   37.222 33701.70  7854.97   0.0000   0.0000 33701.70  7854.97  ?   ?   267.157   37.222 0.000000 37.22206 
1 1 1    0   36    1 o  175.851   27.410 14800.94  3786.12   0.0000   0.0000 14800.94  3786.12  ?   ?   175.851   27.410 0.000000 27.40971 
1 1 1    0   36    2 o  103.683   31.161  5507.40  2835.43   0.0000   0.0000  5507.40  2835.43  ?   ?   103.683   31.161 0.000000 31.16134 
1 1 1    0   36    3 o   58.383   25.495  225.798  2284.78   0.0000   0.0000  225.798  2284.78  ?   ?    58.383   25.495 0.000000 25.49459 
1 1 1    0   36    4 o  112.258   30.141  6456.20  2805.26   0.0000   0.0000  6456.20  2805.26  ?   ?   112.258   30.141 0.000000 30.14125 
1 1 1    0   36    5 o   66.454   27.617  1316.02  2456.78   0.0000   0.0000  1316.02  2456.78  ?   ?    66.454   27.617 0.000000 27.61732 
1 1 1    0   36    6 o  152.463   26.909 11436.37  3209.43 15127.72  8258.36 10779.68  3483.22  131.799   52.113  144.119   30.706 -12.31969 60.48629 
1 1 1    0   36    7 o  136.846   28.478  9577.87  3061.36  5692.24  8016.53 10241.27  3312.41   97.466   44.692  139.984   30.041 -42.51798 53.85022 
1 1 1    0   36    8 o   55.270   24.031  421.154  2011.15  8389.78  7088.16 -276.5259  2097.35  103.023   44.949   51.953   23.442 51.07030 50.69458 
1 1 1    0   36    9 o  177.504   27.269 16283.64  3804.55  3845.16  8752.49 19181.39  4224.53   87.783   42.172  191.760   27.954 -103.9771 50.59542 
1 1 1    0   36   10 o   43.212   20.334 -1184.5500  1834.32 -3761.0039  7865.14 -1036.3500  1886.34   71.329   35.411   44.553   20.855 26.77636 41.09571 
1 1 1    0   36   11 o   66.868   10.712  1952.66  561.959 -346.6952  8902.49  1961.86  563.082   74.041   36.906   67.031   10.706 7.009918 38.42762 
1 1 1    0   36   12 o   35.667   11.994  538.672  410.578   0.0000   0.0000  538.672  410.578  ?   ?    35.667   11.994 0.000000 11.99369 
1 1 1    0   36   13 f   77.999   11.577  2730.06  710.966   0.0000   0.0000  2730.06  710.966  ?   ?    77.999   11.577 0.000000 11.57727 
1 1 1    0   36   14 o   35.644   13.335  514.875  520.053   0.0000   0.0000  514.875  520.053  ?   ?    35.644   13.335 0.000000 13.33470 
1 1 1    0   38    0 o  272.612   44.005 39255.75  9408.93   0.0000   0.0000 39255.75  9408.93  ?   ?   272.612   44.005 0.000000 44.00527 
1 1 1    0   38    1 o  124.798   35.049  9077.14  3697.84   0.0000   0.0000  9077.14  3697.84  ?   ?   124.798   35.049 0.000000 35.04902 
1 1 1    0   38    2 o   57.594   26.351 -482.6041  2765.73   0.0000   0.0000 -482.6041  2765.73  ?   ?    57.594   26.351 0.000000 26.35064 
1 1 1    0   38    3 o  191.575   30.911 19566.83  4644.65   0.0000   0.0000 19566.83  4644.65  ?   ?   191.575   30.911 0.000000 30.91125 
1 1 1    0   38    4 o  100.372   34.202  6065.96  3339.25   0.0000   0.0000  6065.96  3339.25  ?   ?   100.372   34.202 0.000000 34.20197 
1 1 1    0   38    5 o   88.044   33.143  4562.57  3222.35   0.0000   0.0000  4562.57  3222.35  ?   ?    88.044   33.143 0.000000 33.14286 
1 1 1    0   38    6 o  126.953   35.517 10158.66  3804.92   0.0000   0.0000 10158.66  3804.92  ?   ?   126.953   35.517 0.000000 35.51709 
1 1 1    0   38    7 o  145.471   33.061 12714.15  3816.52 12562.72 11234.67 12733.90  4057.83   94.354   45.911  141.617   35.389 -47.26291 57.96732 
1 1 1    0   38    8 o   64.105   26.565  1865.21  2263.90  7104.07  9734.68  1565.67  2327.72   83.923   41.232   62.279   26.442 21.64427 48.98261 
1 1 1    0   38    9 o   77.360   30.526  3919.83  2828.31 -3266.9009 10629.70  4467.40  2934.07   70.249   35.664   80.966   31.339 -10.71790 47.47705 
1 1 1    0   38   10 o   48.559   22.975 -728.4854  2400.03   0.0000   0.0000 -728.4854  2400.03  ?   ?    48.559   22.975 0.000000 22.97504 
1 1 1    0   38   11 o  116.641   11.373  6063.76  1063.39   0.0000   0.0000  6063.76  1063.39  ?   ?   116.641   11.373 0.000000 11.37267 
1 1 1    0   40    0 o  206.062   49.633 27305.28  8205.66   0.0000   0.0000 27305.28  8205.66  ?   ?   206.062   49.633 0.000000 49.63329 
1 1 1    0   40    1 f  144.661   40.581 15623.57  4960.23   0.0000   0.0000 15623.57  4960.23  ?   ?   144.661   40.581 0.000000 40.58105 
1 1 1    0   40    2 o  112.239   39.387 10130.68  4441.10   0.0000   0.0000 10130.68  4441.10  ?   ?   112.239   39.387 0.000000 39.38692 
1 1 1    0   40    3 o   81.005   34.237  4585.95  3874.30   0.0000   0.0000  4585.95  3874.30  ?   ?    81.005   34.237 0.000000 34.23735 
1 1 1    0   40    4 o   64.240   29.425  1239.91  3462.64   0.0000   0.0000  1239.91  3462.64  ?   ?    64.240   29.425 0.000000 29.42531 
1 1 1    0   40    5 f   49.129   23.893 -2346.9270  3031.98   0.0000   0.0000 -2346.9270  3031.98  ?   ?    49.129   23.893 0.000000 23.89274 
1 1 1    0   40    6 o   89.796   36.248  7352.27  4080.11   0.0000   0.0000  7352.27  4080.11  ?   ?    89.796   36.248 0.000000 36.24833 
1 1 1    0   40    7 o   72.152   30.555  3834.51  3095.57   0.0000   0.0000  3834.51  3095.57  ?   ?    72.152   30.555 0.000000 30.55544 
1 1 1    0   40    8 o   55.615   26.168  682.274  3035.96   0.0000   0.0000  682.274  3035.96  ?   ?    55.615   26.168 0.000000 26.16802 
1 1 1    0   42    0 o   96.472   42.755  7132.01  6649.60   0.0000   0.0000  7132.01  6649.60  ?   ?    96.472   42.755 0.000000 42.75537 
1 1 1    0   42    1 o   70.535   32.911  4826.00  4635.40   0.0000   0.0000  4826.00  4635.40  ?   ?    70.535   32.911 0.000000 32.91057 
1 1 1    0   42    2 o   80.204   36.269  8443.28  5052.24   0.0000   0.0000  8443.28  5052.24  ?   ?    80.204   36.269 0.000000 36.26893 
1 1 1    0   42    3 o   53.036   26.109 -1265.3920  3966.76   0.0000   0.0000 -1265.3920  3966.76  ?   ?    53.036   26.109 0.000000 26.10884 
1 1 1    1    1    0 o   14.248   4.9355   73.836   69.626   0.0000   0.0000   73.836   69.626  ?   ?    14.248   4.9355 0.000000 4.935481 
1 1 1    1    1    1 f  296.864   12.221 35889.97  2945.68 39035.36  5109.96 34324.56  3604.92  308.060   20.547  289.652   15.383 18.40771 25.66716 
1 1 1    1    1    3 o  738.946   53.046 235125.09 31615.91   0.0000   0.0000 235125.09 31615.91  ?   ?   738.946   53.046 0.000000 53.04622 
1 1 1    1    1    4 o  600.871   20.479 147653.70  9991.39 149696.91 14129.39 145610.09 14130.51  602.852   28.865  594.443   29.276 8.408386 41.11294 
1 1 1    1    1    5 o  473.932   16.257 91521.11  6256.01 91310.57  8847.23 91731.67  8847.43  472.518   23.060  473.614   23.007 -1.096191 32.57376 
1 1 1    1    1    6 f  790.137   26.720 255219.30 17142.75 263231.00 24243.92 247208.30 24243.09  799.826   37.331  774.762   38.537 25.06433 53.65375 
1 1 1    1    1    7 o  411.794   14.236 68950.15  4760.08 68008.66  6731.75 69891.63  6731.78  408.650   20.288  414.286   20.012 -5.636017 28.49710 
1 1 1    1    1    8 o  798.530   26.956 260097.20 17477.56 259781.09 24716.32 260413.41 24717.67  796.154   38.234  797.131   38.189 -0.9771118 54.03921 
1 1 1    1    1    9 o  970.639   32.708 384963.69 25778.40 387383.69 36455.11 382543.59 36457.23  970.575   46.258  964.413   46.557 6.161987 65.63058 
1 1 1    1    1   10 o  805.206   27.189 264566.59 17776.19 269586.59 25137.93 259545.50 25140.72  810.810   38.183  795.411   38.927 15.39911 54.52748 
1 1 1    1    1   11 o  171.424   7.1564 11936.60  996.101 12385.95  1411.58 11490.91  1405.83  174.290   10.017  167.825   10.367 6.464279 14.41588 
1 1 1    1    1   12 o  134.219   9.4153  7359.99  1019.60  6406.13  1460.66  8266.46  1423.90  124.538   14.730  141.972   12.479 -17.43406 19.30532 
1 1 1    1    1   13 o  759.168   25.895 237311.80 15961.87 240193.59 22571.78 234429.09 22575.22  758.444   36.653  749.022   37.119 9.422180 52.16555 
1 1 1    1    1   14 o  227.136   8.8332 20985.34  1629.08 22269.53  2304.79 19703.24  2302.93  233.464   12.201  219.465   12.981 13.99911 17.81484 
1 1 1    1    1   15 o  528.045   18.249 114305.00  7824.53 114469.20 11063.52 114140.70 11067.60  525.851   25.911  525.077   25.959 0.7738037 36.67817 
1 1 1    1    1   16 o  342.490   12.273 47874.21  3413.13 46029.01  4824.73 49722.74  4829.06  334.386   17.834  348.180   17.081 -13.79312 24.69483 
1 1 1    1    1   17 f  178.058   7.8349 12905.35  1132.75 12307.26  1590.03 13521.73  1614.15  173.267   11.365  181.703   10.992 -8.435867 15.81113 
1 1 1    1    1   18 o  170.106   7.7441 11787.42  1069.62 11158.88  1499.46 12438.60  1526.23  164.821   11.272  174.128   10.849 -9.307495 15.64444 
1 1 1    1    1   19 f   28.304   11.148  186.804  376.531  537.583  522.407 -192.4441  543.192   38.412   13.507   27.438   12.187 10.97408 18.19246 
1 1 1    1    1   20 o   37.157   11.866  559.642  404.105  177.255  557.713  982.295  586.343   32.672   13.323   48.122   14.099 -15.45011 19.39814 
1 1 1    1    1   21 o   70.933   10.341  2120.30  578.076  1739.30  774.598  2599.25  868.480   63.022   15.293   77.577   14.315 -14.55569 20.94714 
1 1 1    1    1   22 o  209.318   9.6113 18143.02  1633.53 20076.68  2284.51 16120.01  2336.70  218.110   12.958  194.143   14.938 23.96640 19.77489 
1 1 1    1    1   23 o   95.943   9.5971  3868.48  737.614  3438.46  1049.96  4287.51  1036.46   88.192   15.212   99.657   13.128 -11.46556 20.09361 
1 1 1    1    1   24 o  127.101   9.3665  6805.60  959.821  7521.81  1382.50  6139.15  1333.60  131.432   13.130  117.960   14.210 13.47199 19.34734 
1 1 1    1    1   25 o   31.803   13.380  149.412  587.373 -501.6766  804.225  893.782  859.908   29.942   13.881   46.221   17.175 -16.27837 22.08353 
1 1 1    1    1   26 o   31.014   13.261  129.490  592.913 -45.7796  815.421  326.115  863.669   33.262   14.843   37.756   16.070 -4.494720 21.87612 
1 1 1    1    3    0 o  475.887   34.027 94614.27 13061.56 94614.27 13061.56   0.0000   0.0000  475.887   34.027  ?   ?  0.000000 34.02732 
1 1 1    1    3    5 o  379.306   13.193 58535.95  4063.35 59949.34  5748.60 57124.68  5744.29  383.462   18.463  373.799   18.988 9.663208 26.48474 
1 1 1    1    3    6 o  1070.07   36.216 470405.31 31467.17 474415.19 44502.53 466395.81 44500.07  1068.32   51.303  1059.03   51.750 9.283813 72.87057 
1 1 1    1    3    7 o  812.950   27.474 269780.31 18135.02 271701.59 25646.21 267859.00 25647.36  813.632   38.820  807.794   39.102 5.837769 55.09993 
1 1 1    1    3    8 o  832.445   32.351 283192.50 21866.91 266780.31 37865.54 291404.41 26784.58  799.959   58.706  843.149   39.124 -43.19031 70.54831 
1 1 1    1    3    9 o  349.309   12.231 49581.80  3469.06 50707.54  4904.82 48454.98  4907.17  353.099   17.108  344.703   17.591 8.396301 24.53815 
1 1 1    1    3   10 o  782.734   26.306 249975.59 16718.79 247461.41 23642.19 252490.50 23645.69  776.804   37.483  784.736   37.110 -7.931641 52.74604 
1 1 1    1    3   11 o  473.000   16.142 91090.85  6199.43 92904.09  8765.84 89276.42  8768.79  477.027   22.631  467.566   23.097 9.460602 32.33669 
1 1 1    1    3   12 o  416.119   20.635 70807.88  6971.91 68395.84  9863.11 73216.67  9856.44  406.261   30.114  420.702   29.032 -14.44159 41.82959 
1 1 1    1    3   13 o  1026.54   35.293 439314.19 29417.65 442902.00 41599.09 435725.00 41606.61  1017.01   50.375  1006.98   51.054 10.03491 71.72270 
1 1 1    1    3   14 o  253.345   9.6161 26118.07  1978.10 26339.10  2790.56 25894.83  2804.41  253.764   13.593  251.582   13.781 2.181915 19.35651 
1 1 1    1    3   15 o  296.922   10.918 35919.75  2632.30 37062.20  3717.83 34771.39  3727.44  300.718   15.276  291.149   15.827 9.568756 21.99670 
1 1 1    1    3   16 o  242.549   9.3953 23959.63  1850.33 24597.35  2611.84 23317.09  2621.71  245.035   13.176  238.484   13.595 6.551147 18.93241 
1 1 1    1    3   17 o  277.749   10.509 31470.20  2370.00 31083.05  3346.38 31859.82  3357.03  274.946   15.047  278.404   14.905 -3.457123 21.17894 
1 1 1    1    3   18 o  129.181   7.2566  6817.06  758.073  5800.39  1049.08  7928.02  1096.65  118.610   11.019  139.018   9.7777 -20.40726 14.73162 
1 1 1    1    3   19 o  222.337   9.2966 20224.26  1678.32 20740.63  2370.66 19705.40  2376.36  223.950   13.094  218.151   13.482 5.799545 18.79406 
1 1 1    1    3   20 o  309.145   11.516 39468.81  2890.77 38910.72  4081.18 40030.73  4095.18  303.782   16.609  308.262   16.420 -4.479950 23.35540 
1 1 1    1    3   21 o  230.889   9.6717 21988.57  1813.19 21160.06  2547.40 22839.37  2581.42  224.145   14.068  233.115   13.698 -8.969345 19.63551 
1 1 1    1    3   22 o  124.466   8.9571  6431.49  899.170  6903.18  1258.11  5938.98  1285.57  127.768   12.278  117.854   13.689 9.914017 18.38894 
1 1 1    1    3   23 o  131.387   8.9419  7198.92  948.267  8024.02  1310.51  6292.14  1373.84  137.405   11.863  120.313   14.346 17.09142 18.61530 
1 1 1    1    3   24 o  122.416   9.4500  6323.52  932.040  6021.73  1297.98  6644.78  1339.19  116.905   13.950  123.075   13.630 -6.170204 19.50284 
1 1 1    1    3   25 o   32.750   13.410  246.240  567.888  1522.84  728.115 -1736.3760  907.384   56.748   15.406   25.102   12.382 31.64525 19.76547 
1 1 1    1    3   26 f   42.971   14.859  859.093  630.959  463.006  812.284  1461.65  1001.87   38.582   15.944   53.036   18.699 -14.45404 24.57413 
1 1 1    1    5    0 o  627.462   24.948 161815.91 12710.66 163747.09 22020.55 160851.00 15565.53  621.925   43.888  623.617   30.740 -1.692505 53.58303 
1 1 1    1    5    1 o  556.969   27.296 127766.30 12344.50 129694.60 17463.30 125840.50 17452.22  555.830   38.940  547.193   39.546 8.637024 55.50001 
1 1 1    1    5    4 o  254.154   9.2306 26254.57  1904.88 24830.87  2693.43 27679.27  2694.38  246.638   13.501  260.823   12.723 -14.18489 18.55084 
1 1 1    1    5    5 o  241.095   9.0030 23617.88  1762.44 24457.27  2487.78 22772.13  2497.19  244.926   12.552  236.271   13.067 8.654831 18.11911 
1 1 1    1    5    6 o  545.039   18.335 120928.30  8114.16 123002.80 11473.47 118852.50 11476.84  548.982   25.739  539.590   26.195 9.392090 36.72465 
1 1 1    1    5    7 o  1086.15   36.341 483240.81 32049.61 499940.81 45325.41 466541.31 45324.58  1100.13   50.741  1062.09   52.558 38.04761 73.05440 
1 1 1    1    5    8 o   40.714   7.0667  692.670  225.141  903.252  314.467  471.221  322.479   46.409   8.6638   34.146   10.558 12.26281 13.65807 
1 1 1    1    5    9 o  451.069   15.382 82725.38  5633.56 83598.15  7968.57 81853.27  7965.56  453.113   21.659  448.345   21.881 4.767212 30.78768 
1 1 1    1    5   10 o  387.484   13.386 61043.28  4211.56 59758.66  5955.14 62328.68  5956.96  383.099   19.144  391.274   18.750 -8.174438 26.79697 
1 1 1    1    5   11 o  268.076   9.7311 29210.65  2118.15 25849.98  2989.76 32597.32  3001.31  251.565   14.701  283.055   13.059 -31.48976 19.66330 
1 1 1    1    5   12 o  311.899   13.011 39618.37  3294.95 40590.32  5742.78 39141.39  4023.00  313.910   22.684  309.351   16.072 4.559052 27.80008 
1 1 1    1    5   13 o  131.686   6.4211  7046.73  686.580  7593.10  967.913  6493.41  974.056  136.360   8.7888  125.976   9.5948 10.38386 13.01170 
1 1 1    1    5   14 o  491.611   17.136 98867.81  6840.06 100196.60  9671.95 97538.27  9674.65  493.062   24.159  485.750   24.610 7.312103 34.48589 
1 1 1    1    5   15 o  203.799   8.4224 16899.03  1393.71 18306.61  1962.95 15468.10  1979.16  211.612   11.467  194.313   12.612 17.29942 17.04603 
1 1 1    1    5   16 o  171.765   7.6638 12003.90  1068.85 12223.18  1497.98 11776.47  1525.55  172.818   10.728  169.564   11.142 3.253815 15.46774 
1 1 1    1    5   17 o   92.157   7.1217  3476.42  528.769  3929.60  742.491  3010.06  753.209   97.730   9.4758   85.150   11.163 12.58047 14.64252 
1 1 1    1    5   18 o  180.289   8.2495 13252.00  1207.63 13759.52  1694.73 12728.46  1721.27  183.001   11.463  175.856   12.129 7.144623 16.68867 
1 1 1    1    5   19 o  248.061   9.7410 25208.58  1962.00 24661.87  2754.18 25771.88  2795.66  243.824   13.970  249.305   13.865 -5.481613 19.68267 
1 1 1    1    5   20 o  171.475   8.5717 12056.71  1193.46 11810.88  1662.20 12318.30  1714.63  168.440   12.237  171.995   12.360 -3.555267 17.39298 
1 1 1    1    5   21 o  118.407   8.4030  5791.00  802.640  5282.17  1076.20  6428.77  1204.87  112.049   12.017  123.681   12.155 -11.63230 17.09202 
1 1 1    1    5   22 o  194.753   9.4405 15710.75  1492.85 14695.26  2087.54 16773.66  2135.72  185.734   13.944  198.907   13.300 -13.17255 19.27007 
1 1 1    1    5   23 o   93.940   10.710  3746.57  802.304  3494.84  1008.13  4181.40  1325.00   89.156   14.418   96.015   17.646 -6.858673 22.78730 
1 1 1    1    5   24 o  145.238   9.4461  8898.72  1107.91  8371.77  1521.74  9493.10  1616.16  137.999   13.764  147.073   13.691 -9.073639 19.41396 
1 1 1    1    5   25 o   53.188   14.430  1325.09  639.048  964.072  782.375  2048.76  1107.70   46.560   16.513   63.491   19.558 -16.93081 25.59684 
1 1 1    1    5   26 o   22.223   10.720 -752.7633  579.240 -440.3027  740.657 -1244.8280  929.461   28.294   13.186   27.151   13.210 1.142710 18.66479 
1 1 1    1    7    0 o  163.446   7.1708 10854.82  951.651 11403.25  1350.27 10313.52  1341.45  167.160   9.9941  158.901   10.455 8.259201 14.46367 
1 1 1    1    7    1 o  501.621   24.670 103143.00 10048.28 105237.40 14207.27 101046.80 14213.56  503.115   34.996  492.689   35.774 10.42542 50.04467 
1 1 1    1    7    3 o  458.087   22.525 85735.79  8378.13 87133.08 11864.36 84345.97 11832.64  459.255   32.017  451.702   32.479 7.552826 45.60641 
1 1 1    1    7    4 o  599.984   24.135 146997.80 11757.74 141725.50 20446.20 149602.80 14371.78  583.833   43.442  604.451   29.283 -20.61792 52.38939 
1 1 1    1    7    5 o  652.185   25.891 173631.41 13710.39 162685.41 23812.59 179059.41 16768.71  625.653   47.222  661.481   31.221 -35.82794 56.60988 
1 1 1    1    7    6 o  200.104   8.1047 16263.70  1316.84 16111.16  1859.94 16417.00  1864.64  198.779   11.574  200.669   11.492 -1.891083 16.30989 
1 1 1    1    7    7 o  202.455   8.6156 16648.14  1416.29 11140.33  2399.95 19591.21  1754.34  164.471   18.280  219.607   9.8385 -55.13504 20.75971 
1 1 1    1    7    8 o  217.384   9.4583 19195.41  1669.47 20058.11  2045.30 17473.17  2889.84  221.897   11.390  206.542   17.394 15.35538 20.79121 
1 1 1    1    7    9 o  1019.10   33.843 424956.41 28004.15 430896.81 39602.70 419015.41 39604.99  1022.27   47.711  1007.86   48.396 14.41663 67.96001 
1 1 1    1    7   10 o  1146.90   38.448 541704.62 35804.71 537333.81 50635.37 546075.38 50635.65  1133.89   54.998  1143.34   54.543 -9.455200 77.45786 
1 1 1    1    7   11 o  394.899   15.701 63545.44  5034.56 59715.13  6159.63 71254.22  8738.37  381.871   19.935  416.046   25.998 -34.17538 32.76073 
1 1 1    1    7   12 o  297.317   12.582 36003.30  3037.47 34917.84  5323.63 36527.22  3698.58  290.893   22.719  298.859   15.293 -7.965576 27.38687 
1 1 1    1    7   13 o  190.777   7.9047 14797.77  1224.47 15239.41  1724.67 14348.88  1738.74  193.156   11.042  187.360   11.485 5.795853 15.93221 
1 1 1    1    7   14 o  345.535   12.304 48673.52  3452.04 49302.52  4879.63 48043.32  4884.23  347.058   17.316  342.102   17.643 4.956116 24.72112 
1 1 1    1    7   15 o  261.080   10.221 27767.28  2166.64 28097.05  3057.91 27434.84  3070.29  261.793   14.441  258.638   14.681 3.154633 20.59307 
1 1 1    1    7   16 o  244.650   9.6390 24388.03  1914.78 24307.02  2704.39 24469.46  2711.43  243.410   13.739  244.226   13.729 -0.8161011 19.42302 
1 1 1    1    7   17 o  369.618   13.534 55959.56  4061.72 56028.23  5741.15 55890.75  5747.14  367.691   19.297  367.220   19.343 0.4708252 27.32277 
1 1 1    1    7   18 o   40.155   11.251  678.680  381.529  235.593  499.908  1296.81  590.451   32.389   12.817   55.095   13.341 -22.70523 18.50010 
1 1 1    1    7   19 o  163.302   8.2809 10932.12  1094.42 12452.77  1548.14  9413.01  1547.35  173.691   11.035  150.465   12.786 23.22598 16.88944 
1 1 1    1    7   20 o   91.088   8.1719  3427.47  597.969  2708.09  768.442  4531.75  952.076   79.957   12.225  104.077   11.456 -24.12056 16.75356 
1 1 1    1    7   21 o  124.821   8.5334  6440.09  859.675  5963.82  1130.34  7093.57  1324.04  119.107   11.845  129.663   12.741 -10.55598 17.39609 
1 1 1    1    7   22 o   50.211   12.641  1102.76  515.035  1108.00  633.167  1092.51  885.446   50.355   14.622   51.412   17.612 -1.057507 22.89015 
1 1 1    1    7   23 o   69.569   11.574  2094.23  630.829  1907.26  734.727  2618.65  1230.49   65.384   14.242   74.456   19.950 -9.072426 24.51241 
1 1 1    1    7   24 o   74.444   11.378  2416.39  665.910  1885.49  824.471  3412.61  1129.39   63.661   15.976   85.659   16.838 -21.99775 23.21098 
1 1 1    1    7   25 o  141.020   11.067  8697.44  1257.03  7998.28  1585.11  9882.20  2063.41  131.236   15.154  142.115   18.307 -10.87881 23.76556 
1 1 1    1    7   26 o   30.139   12.837  145.456  551.794  145.456  551.794   0.0000   0.0000   30.139   12.837  ?   ?  0.000000 12.83712 
1 1 1    1    9    0 o  554.417   19.139 125302.00  8615.89 123496.20 12194.83 127101.90 12174.61  549.241   27.345  557.275   26.906 -8.033936 38.36226 
1 1 1    1    9    1 o  321.256   16.639 42137.25  4325.50 42972.78  6121.23 41303.92  6113.15  323.545   23.460  317.097   23.919 6.447815 33.50356 
1 1 1    1    9    2 f  548.900   26.879 123190.90 11979.89 115968.90 16959.23 130383.90 16925.07  528.924   39.780  561.673   37.324 -32.74890 54.54849 
1 1 1    1    9    3 o  348.546   17.752 49583.25  5007.36 49276.09  7096.31 49887.85  7066.74  346.503   25.399  348.698   25.128 -2.195313 35.72853 
1 1 1    1    9    4 o  854.230   41.176 300159.59 28559.66 301151.69 40418.77 299170.31 40360.21  847.938   59.075  845.081   59.193 2.856262 83.62772 
1 1 1    1    9    5 o  752.260   28.472 231031.20 17390.95 237612.59 30224.48 227773.80 21263.53  757.135   49.435  745.858   35.111 11.27734 60.63516 
1 1 1    1    9    6 o  298.551   14.213 36232.27  3445.44   0.0000   0.0000 36232.27  3445.44  ?   ?   298.551   14.213 0.000000 14.21305 
1 1 1    1    9    7 o  788.500   37.182 254504.80 23805.52 291717.69 33706.79 217471.00 33625.54  840.086   49.635  722.519   57.801 117.5673 76.18760 
1 1 1    1    9    8 o  598.969   19.469 146011.59  9468.54 149167.50 13391.58 142856.50 13389.50  604.691   27.275  591.698   27.869 12.99274 38.99495 
1 1 1    1    9    9 o  819.005   27.742 274076.81 18448.80 282425.31 26090.90 265728.91 26090.18  828.860   38.768  803.669   39.982 25.19116 55.69085 
1 1 1    1    9   10 o  343.804   12.137 48078.06  3388.20 47583.76  4793.17 48571.73  4790.09  341.262   17.355  345.247   17.087 -3.985199 24.35538 
1 1 1    1    9   11 o  851.916   28.805 299099.09 19925.29 290543.41 28180.09 307653.09 28177.15  831.844   41.855  857.826   40.454 -25.98132 58.20990 
1 1 1    1    9   12 o  637.997   21.311 166887.80 11039.87 156938.00 15612.29 176838.80 15613.17  614.421   31.399  653.850   29.409 -39.42896 43.02045 
1 1 1    1    9   13 o  502.110   17.123 103108.10  6980.89 104886.40  9872.69 101330.00  9872.26  504.617   24.095  495.862   24.520 8.755371 34.37754 
1 1 1    1    9   14 o  144.034   6.9788  8434.50  816.174  8408.34  1140.23  8461.98  1168.79  143.372   9.8545  143.807   10.073 -0.4350586 14.09186 
1 1 1    1    9   15 o  413.132   14.614 69810.86  4902.32 70304.34  6931.34 69316.93  6934.53  412.537   20.759  409.566   20.922 2.971008 29.47326 
1 1 1    1    9   16 o  287.852   11.024 33811.06  2576.53 33856.21  3636.20 33765.54  3651.37  286.888   15.669  286.481   15.758 0.4072876 22.22224 
1 1 1    1    9   17 o  119.864   7.0144  5868.39  679.710  6553.64  944.774  5133.14  978.632  126.425   9.2682  111.557   10.945 14.86753 14.34189 
1 1 1    1    9   18 o   54.730   8.5210  1251.71  366.343  2240.87  479.394 -136.7508  567.971   73.655   8.1526   28.817   12.644 44.83826 15.04452 
1 1 1    1    9   19 o  154.166   8.1566  9751.33  1017.39 11806.59  1389.87  7378.80  1493.30  169.211   10.163  132.578   14.088 36.63251 17.37107 
1 1 1    1    9   20 o   66.964   8.2245  1866.43  437.783  2870.79  531.776 -245.7891  771.175   83.310   7.9581   32.617   14.503 50.69344 16.54266 
1 1 1    1    9   21 o  132.387   8.5273  7247.85  911.762  6312.49  1202.47  8512.98  1398.47  122.301   12.275  142.208   12.230 -19.90715 17.32754 
1 1 1    1    9   22 o   63.249   10.648  1712.86  527.427  1603.83  630.966  1965.73  960.919   60.431   13.226   65.827   17.627 -5.396732 22.03702 
1 1 1    1    9   23 o   77.260   10.014  2541.80  613.408  2938.75  721.287  1504.48  1166.00   82.782   11.003   58.146   20.194 24.63551 22.99735 
1 1 1    1    9   24 o   30.330   12.246  216.668  465.736  212.490  523.310  232.583  1021.35   31.528   12.887   40.653   17.394 -9.125071 21.64767 
1 1 1    1    9   25 o  128.356   10.871  7235.23  1122.36  7113.04  1360.92  7495.05  1984.49  124.610   13.675  119.125   21.298 5.485764 25.31087 
1 1 1    1   11    0 o  764.129   36.985 239587.50 22947.35   0.0000   0.0000 239587.50 22947.35  ?   ?   764.129   36.985 0.000000 36.98515 
1 1 1    1   11    1 o  375.816   15.565 57446.91  4749.73 60832.49  8218.30 55748.89  5820.20  385.165   26.438  369.518   19.467 15.64719 32.83217 
1 1 1    1   11    2 o  522.573   25.609 111398.30 10866.36 109990.30 15381.75 112801.00 15352.99  516.660   36.909  523.365   36.354 -6.704834 51.80617 
1 1 1    1   11    3 o  567.869   27.702 131614.59 12773.23 130077.40 18091.32 133142.59 18036.96  561.580   39.936  568.323   39.329 -6.743530 56.04988 
1 1 1    1   11    4 f  1449.39   70.160 880098.69 82568.73 964304.19 116796.00 795968.81 116743.60  1493.86   96.811  1347.17  107.625 146.6915 144.7599 
1 1 1    1   11    5 o  1040.51   72.745 455653.19 61073.02   0.0000   0.0000 455653.19 61073.02  ?   ?   1040.51   72.745 0.000000 72.74532 
1 1 1    1   11    6 o  522.798   25.521 111395.30 10833.47 111520.80 15372.72 111271.50 15269.47  520.776   36.587  520.226   36.378 0.5499268 51.59411 
1 1 1    1   11    7 o  296.903   11.638 35819.59  2805.62 47872.85  4992.37 30255.66  3391.92  342.558   18.012  272.347   15.402 70.21103 23.69902 
1 1 1    1   11    8 o  992.865   39.376 405270.91 31744.13 421618.00 55102.56 397150.50 38836.21  998.132   68.403  979.586   48.827 18.54608 84.04140 
1 1 1    1   11    9 o  694.125   27.741 197388.50 15635.28 195596.20 27191.92 198273.80 19110.41  682.694   49.388  694.135   33.907 -11.44043 59.90661 
1 1 1    1   11   10 o  342.467   13.389 47758.81  3722.97 47468.31  4566.26 48334.82  6429.89  341.159   16.484  342.723   23.243 -1.563660 28.49521 
1 1 1    1   11   11 o   80.586   7.6482  2663.42  494.448  2410.69  1039.11  2737.40  562.170   75.332   17.346   81.598   8.6152 -6.265648 19.36805 
1 1 1    1   11   12 o  403.731   13.841 66475.43  4537.23 64806.81  6421.87 68138.59  6411.38  397.173   19.977  407.868   19.359 -10.69565 27.81857 
1 1 1    1   11   13 f  472.992   17.401 91581.94  6682.96 92903.27  9456.18 90263.42  9446.10  473.818   24.664  466.898   25.008 6.920044 35.12424 
1 1 1    1   11   14 o  297.804   11.146 36149.85  2695.19 35991.40  3813.32 36308.01  3809.83  296.120   15.918  297.440   15.832 -1.320587 22.45080 
1 1 1    1   11   15 o  225.339   9.5669 20687.16  1750.43 21970.49  2471.24 19394.96  2479.75  231.490   13.202  217.292   14.132 14.19786 19.33917 
1 1 1    1   11   16 o  459.187   15.958 86619.06  5949.97 83971.73  8416.70 89263.65  8412.36  448.651   23.184  463.537   22.351 -14.88596 32.20317 
1 1 1    1   11   17 o  180.564   7.9575 13289.56  1166.67 12532.69  1639.97 14065.07  1660.05  174.573   11.636  185.084   11.097 -10.51157 16.07974 
1 1 1    1   11   18 o  158.484   7.7543 10255.72  997.853 10205.41  1342.39 10317.85  1491.75  157.368   10.567  157.970   11.713 -0.6026306 15.77554 
1 1 1    1   11   19 o   84.107   8.0017  2921.93  539.869  3234.88  699.956  2462.38  848.206   88.145   9.9543   75.691   14.326 12.45425 17.44479 
1 1 1    1   11   20 o  185.178   8.6714 14101.60  1303.81 14714.38  1816.07 13449.80  1872.99  187.722   11.977  179.011   12.974 8.711075 17.65713 
1 1 1    1   11   21 o  245.205   10.176 24962.73  2026.01 24482.84  2848.67 25453.94  2882.05  239.575   14.715  244.393   14.590 -4.818268 20.72231 
1 1 1    1   11   22 o  124.564   8.4919  6454.55  853.767  6552.11  1082.82  6294.25  1388.07  124.590   10.811  120.306   14.502 4.284241 18.08817 
1 1 1    1   11   23 o  112.965   8.8464  5359.65  804.945  5483.63  1015.24  5149.79  1320.87  113.160   11.196  107.081   15.654 6.079269 19.24599 
1 1 1    1   11   24 o  111.824   9.4032  5335.35  845.863  5073.66  1067.30  5777.32  1387.03  107.085   12.511  111.847   15.706 -4.761383 20.07965 
1 1 1    1   11   25 f   55.043   22.622  1526.29  1623.65   0.0000   0.0000  1526.29  1623.65  ?   ?    55.043   22.622 0.000000 22.62236 
1 1 1    1   13    0 o  543.896   26.696 120640.90 11789.48   0.0000   0.0000 120640.90 11789.48  ?   ?   543.896   26.696 0.000000 26.69564 
1 1 1    1   13    1 o  335.141   14.162 45657.21  3853.91 47574.99  6676.55 44698.92  4719.57  340.840   24.284  331.025   17.623 9.815155 30.00410 
1 1 1    1   13    2 o  867.838   41.845 309057.00 29486.58 310401.81 41722.25 307715.09 41678.42  862.978   59.914  859.139   60.125 3.838928 84.88068 
1 1 1    1   13    3 o  508.546   35.826 106312.70 14698.73   0.0000   0.0000 106312.70 14698.73  ?   ?   508.546   35.826 0.000000 35.82582 
1 1 1    1   13    4 o  594.038   41.496 145414.30 19889.29   0.0000   0.0000 145414.30 19889.29  ?   ?   594.038   41.496 0.000000 41.49574 
1 1 1    1   13    5 o  792.346   37.932 257158.80 24404.01 274857.81 34556.99 239550.70 34468.14  814.250   52.549  758.734   56.351 55.51544 77.05087 
1 1 1    1   13    6 o  1456.80   70.392 891363.19 83264.74 958080.88 117813.20 824778.88 117695.10  1484.41   98.303  1368.84  106.737 115.5724 145.1078 
1 1 1    1   13    7 f  603.784   24.202 148765.41 11865.09 155630.09 20713.95 145413.09 14475.09  613.081   41.861  595.380   30.039 17.70050 51.52395 
1 1 1    1   13    8 o  1202.99   47.296 603688.00 46197.71 661629.88 80185.56 574899.38 56521.02  1226.06   81.003  1163.13   60.052 62.92395 100.8353 
1 1 1    1   13    9 o  344.520   19.592 48650.80  5458.02 34582.99  7881.43 61614.63  7565.85  287.085   34.502  386.947   24.202 -99.86224 42.14413 
1 1 1    1   13   10 o  332.717   13.125 45101.54  3545.70 56407.23  6312.70 39890.97  4285.58  370.478   21.072  312.085   16.976 58.39349 27.05970 
1 1 1    1   13   11 o  689.396   27.510 196316.41 15399.00 196620.30 26838.54 196167.30 18801.73  675.788   49.250  686.171   33.746 -10.38287 59.70277 
1 1 1    1   13   12 o  388.461   16.204 61687.37  5111.03 58650.94  9038.04 63114.92  6197.10  374.572   29.968  392.337   19.453 -17.76544 35.72796 
1 1 1    1   13   13 o  268.462   12.186 29392.74  2656.31 24814.09  4814.46 31396.51  3184.95  243.796   24.660  276.879   14.215 -33.08269 28.46372 
1 1 1    1   13   14 f   63.814   7.5011  1679.31  381.254  885.318  491.887  2874.04  603.384   45.895   12.746   83.531   9.0405 -37.63605 15.62626 
1 1 1    1   13   15 o  400.365   14.318 65643.91  4654.48 66532.30  6596.91 64763.28  6568.02  400.817   20.337  395.365   20.530 5.451752 28.89770 
1 1 1    1   13   16 o   85.642   6.8678  3004.46  473.558  3581.12  633.433  2273.76  713.037   93.360   8.4475   73.551   12.379 19.80943 14.98680 
1 1 1    1   13   17 o  157.934   7.7605 10174.63  995.185 10946.12  1427.24  9444.59  1388.37  163.097   10.839  151.337   11.382 11.75987 15.71730 
1 1 1    1   13   18 o  281.441   10.892 32594.36  2488.94 32497.93  3540.62 32688.56  3499.54  278.609   15.715  279.554   15.478 -0.9449768 22.05732 
1 1 1    1   13   19 o  190.980   8.8221 14981.42  1368.04 15225.87  1900.62 14718.62  1970.67  191.117   12.313  187.607   13.017 3.509552 17.91837 
1 1 1    1   13   20 o   28.540   10.158  292.235  296.303  299.069  313.076  233.536  917.589   29.074   10.431   40.554   16.868 -11.48030 19.83277 
1 1 1    1   13   21 o   55.202   9.7855  1300.92  422.550  1756.74  472.472 -520.5524  944.476   64.491   9.2909   33.765   15.429 30.72598 18.01076 
1 1 1    1   13   22 o  130.112   8.6307  7061.29  906.631  6471.27  1156.08  8003.81  1461.19  123.165   11.701  136.103   13.396 -12.93800 17.78624 
1 1 1    1   13   23 o   45.798   18.044  716.568  986.832   0.0000   0.0000  716.568  986.832  ?   ?    45.798   18.044 0.000000 18.04411 
1 1 1    1   13   24 o   96.195   22.855  5004.41  1758.76   0.0000   0.0000  5004.41  1758.76  ?   ?    96.195   22.855 0.000000 22.85522 
1 1 1    1   13   25 o   57.795   13.761  1613.60  636.503  1613.60  636.503   0.0000   0.0000   57.795   13.761  ?   ?  0.000000 13.76115 
1 1 1    1   15    0 o  542.601   26.733 120045.90 11777.67   0.0000   0.0000 120045.90 11777.67  ?   ?   542.601   26.733 0.000000 26.73254 
1 1 1    1   15    1 o  1318.86   63.978 723782.38 68512.25   0.0000   0.0000 723782.38 68512.25  ?   ?   1318.86   63.978 0.000000 63.97823 
1 1 1    1   15    2 o  451.671   18.707 83003.72  6860.65 87750.98 11871.35 80623.10  8406.67  462.384   31.813  444.265   23.387 18.11884 39.48475 
1 1 1    1   15    3 o  478.831   23.744 93425.62  9231.37 95357.50 13096.47 91517.91 13014.19  481.713   33.695  471.780   34.206 9.932343 48.01479 
1 1 1    1   15    4 o  990.730   47.696 404961.19 38368.36 420653.00 54316.41 389333.09 54205.88  999.832   67.298  960.348   69.997 39.48419 97.10084 
1 1 1    1   15    5 o  683.821   33.376 191606.91 18531.88 187130.00 26267.79 196043.20 26148.70  670.700   48.563  687.024   47.160 -16.32391 67.69402 
1 1 1    1   15    6 o  245.369   13.630 24566.61  2704.87 27858.64  3905.74 21532.56  3749.57  260.821   18.564  228.895   20.388 31.92534 27.57335 
1 1 1    1   15    7 o  378.966   19.777 58781.31  6064.31 37105.35 10708.11 69015.91  7357.99  294.709   46.273  410.311   22.168 -115.6024 51.30901 
1 1 1    1   15    8 o  564.307   25.324 130760.80 11603.25 151334.80 16629.72 111241.70 16197.75  603.420   34.081  515.155   39.013 88.26550 51.80272 
1 1 1    1   15    9 o  235.341   11.420 22546.35  2182.33 18681.15  4007.05 24176.28  2602.09  212.009   23.682  243.231   13.225 -31.22221 27.12450 
1 1 1    1   15   10 o  581.883   23.815 139259.50 11251.95 133345.20 19712.90 142117.59 13703.59  559.409   43.748  586.078   28.797 -26.66907 52.37454 
1 1 1    1   15   11 o  211.783   10.505 18261.55  1806.38 14102.04  3346.65 19971.57  2145.80  183.758   22.929  221.059   12.000 -37.30043 25.87895 
1 1 1    1   15   12 o  706.041   28.655 207343.09 16427.43 203208.50 28695.80 209358.59 20035.24  678.580   52.489  705.337   34.983 -26.75647 63.07883 
1 1 1    1   15   13 o  146.285   8.7700  8741.97  1036.88  8210.95  2118.23  8909.31  1189.08  140.085   19.122  147.549   9.9839 -7.463654 21.57166 
1 1 1    1   15   14 o  174.982   9.4952 12512.46  1344.02 12457.22  2583.50 12532.96  1573.74  172.983   18.691  174.911   11.139 -1.928299 21.75819 
1 1 1    1   15   15 o   73.322   10.115  2234.60  586.193  2214.00  1279.83  2240.07  659.428   72.214   20.736   73.177   11.476 -0.9629822 23.69958 
1 1 1    1   15   16 o  351.957   14.864 51054.04  4247.71 58189.64  7786.07 48030.37  5068.39  369.225   26.140  339.540   18.453 29.68512 31.99725 
1 1 1    1   15   17 o  162.874   9.9912 10917.41  1314.94 13578.34  3011.41 10290.55  1461.64  177.793   21.283  157.764   11.489 20.02924 24.18626 
1 1 1    1   15   18 o   95.095   7.5519  3722.50  578.311  3886.37  740.948  3467.06  925.070   96.790   9.5526   90.535   12.953 6.254692 16.09462 
1 1 1    1   15   19 o  195.916   8.9167 15796.21  1418.45 15002.80  1963.51 16662.18  2051.34  189.160   12.860  199.450   12.733 -10.29021 18.09763 
1 1 1    1   15   20 o  150.544   8.3726  9367.93  1019.40  8574.92  1356.60 10396.46  1544.98  142.751   11.810  157.085   12.209 -14.33453 16.98631 
1 1 1    1   15   21 o   87.632   16.628  3441.00  1139.87  9503.89  3237.90  2583.32  1217.82  135.359   30.225   74.506   19.794 60.85285 36.12962 
1 1 1    1   15   22 o   81.718   16.402  3050.06  1050.45  6916.85  3558.65  2680.98  1099.44  104.821   35.310   75.638   18.136 29.18233 39.69506 
1 1 1    1   15   23 o   44.776   11.695  898.385  429.810  972.620  456.978  329.173  1265.40   46.504   12.016   44.646   19.236 1.858047 22.68083 
1 1 1    1   15   24 o   27.272   10.964  190.589  371.623  135.794  388.206  791.166  1285.21   26.673   11.023   47.276   19.836 -20.60303 22.69275 
1 1 1    1   17    0 o  212.982   13.040 18510.79  2244.14   0.0000   0.0000 18510.79  2244.14  ?   ?   212.982   13.040 0.000000 13.03964 
1 1 1    1   17    1 o  714.595   28.475 208736.59 16521.83 224784.80 28653.13 200743.09 20222.17  735.399   48.253  698.519   35.774 36.87909 60.06803 
1 1 1    1   17    2 o  890.707   35.470 325760.69 25653.10 368950.69 44439.58 304176.00 31415.99  937.125   58.699  856.515   45.334 80.60980 74.16718 
1 1 1    1   17    3 o  929.551   44.953 358008.69 33928.77 381592.50 48043.68 334544.59 47921.61  948.870   62.711  885.481   67.152 63.38953 91.88107 
1 1 1    1   17    4 o  391.042   20.185 62544.93  6387.13 62755.86  9097.66 62339.93  8969.23  390.189   28.921  388.952   28.601 1.237030 40.67495 
1 1 1    1   17    5 o  134.108   10.658  7359.33  1150.98  7917.00  1733.49  6919.63  1539.23  138.526   15.688  129.501   14.911 9.024811 21.64367 
1 1 1    1   17    6 o  599.757   29.745 148231.59 14485.13 146160.59 20578.25 150265.50 20393.16  589.254   43.313  598.010   42.271 -8.755493 60.52195 
1 1 1    1   17    7 o  217.958   19.242 19575.09  3370.39 19575.09  3370.39   0.0000   0.0000  217.958   19.242  ?   ?  0.000000 19.24206 
1 1 1    1   17    8 f  400.487   16.466 65496.29  5354.58 64317.03  9529.08 66040.48  6473.20  393.124   30.081  401.619   19.850 -8.494690 36.04021 
1 1 1    1   17    9 o  146.728   9.1433  8791.53  1083.90  4665.88  2185.81 10136.80  1248.16  104.350   25.915  157.532   9.8067 -53.18170 27.70885 
1 1 1    1   17   10 o  307.443   12.297 38527.75  3069.77 44725.70  5597.58 35861.94  3671.05  329.339   21.042  295.899   15.332 33.43958 26.03558 
1 1 1    1   17   11 o  222.336   10.649 20137.51  1922.48 18410.12  3619.88 20816.13  2268.90  210.445   21.486  225.574   12.436 -15.12885 24.82510 
1 1 1    1   17   12 f  388.118   16.730 61745.34  5272.43 56677.89  9460.64 64028.24  6349.94  365.913   32.169  393.962   19.915 -28.04904 37.83482 
1 1 1    1   17   13 o  325.645   13.887 43383.57  3672.00 44799.06  6717.21 42780.30  4385.23  327.058   25.496  322.378   16.811 4.680023 30.53934 
1 1 1    1   17   14 o  182.582   10.044 13640.10  1483.25 12005.20  2993.15 14172.26  1707.67  168.566   22.425  185.920   11.367 -17.35356 25.14116 
1 1 1    1   17   15 o  182.469   9.6605 13634.96  1426.18 16150.56  2897.60 12830.71  1638.38  196.548   18.370  176.670   11.484 19.87784 21.66359 
1 1 1    1   17   16 o  118.858   9.5502  5819.83  913.897  7897.12  2459.59  5487.10  984.371  134.472   23.375  115.183   10.646 19.28967 25.68492 
1 1 1    1   17   17 o  111.750   10.248  5177.96  919.539  5361.88  2207.04  5139.32  1011.51  108.641   25.463  111.062   11.377 -2.421089 27.88948 
1 1 1    1   17   18 o   57.297   14.802  1430.08  693.495  1721.96  2250.58  1399.46  728.966   70.476   27.400   56.702   15.424 13.77377 31.44299 
1 1 1    1   17   19 o  199.660   11.991 16700.55  1934.97 16064.41  4181.04 16873.94  2182.79  182.942   29.123  199.859   13.531 -16.91772 32.11306 
1 1 1    1   17   20 o   89.004   13.287  3419.66  930.819  4378.91  2497.75  3264.96  1003.07   92.817   29.486   86.318   14.847 6.499969 33.01274 
1 1 1    1   17   21 o   77.030   22.254  2878.68  1470.08  1800.23  3165.30  3175.28  1659.97   71.755   30.659   80.137   23.788 -8.382362 38.80508 
1 1 1    1   17   22 o   48.905   20.153  697.287  1292.77   0.0000   0.0000  697.287  1292.77  ?   ?    48.905   20.153 0.000000 20.15291 
1 1 1    1   17   23 o   27.005   13.112 -1285.5341  903.072   0.0000   0.0000 -1285.5341  903.072  ?   ?    27.005   13.112 0.000000 13.11153 
1 1 1    1   19    0 o  906.848   44.749 343826.31 32950.06   0.0000   0.0000 343826.31 32950.06  ?   ?   906.848   44.749 0.000000 44.74900 
1 1 1    1   19    1 o  314.451   14.068 40263.69  3591.97 44620.21  6296.09 38161.53  4373.56  329.292   23.706  305.359   17.716 23.93317 29.59461 
1 1 1    1   19    2 o   89.101   9.2225  3262.00  657.567  3138.30  1232.19  3311.25  777.541   86.086   18.197   89.566   10.917 -3.480072 21.22108 
1 1 1    1   19    3 o  407.118   17.400 67639.70  5751.77 66279.07  9966.53 68319.19  7042.98  399.633   30.956  408.083   21.329 -8.450867 37.59291 
1 1 1    1   19    4 o  543.037   27.403 121697.40 12043.89 120884.70 17120.36 122493.60 16946.24  536.532   39.578  540.421   38.879 -3.888794 55.47977 
1 1 1    1   19    5 o  324.210   25.677 43500.53  6704.13 43500.53  6704.13   0.0000   0.0000  324.210   25.677  ?   ?  0.000000 25.67706 
1 1 1    1   19    6 o  291.626   16.501 34837.61  3891.20 32181.13  5631.12 37265.33  5383.21  278.569   25.167  300.587   22.214 -22.01837 33.56850 
1 1 1    1   19    7 o   93.293   11.351  3595.97  842.132  2911.75  1378.18  4003.67  1063.84   82.676   20.604   98.154   13.724 -15.47803 24.75617 
1 1 1    1   19    8 o  299.206   12.148 36480.38  2951.21 38654.12  5452.73 35579.80  3509.70  305.922   22.100  295.243   14.640 10.67886 26.50963 
1 1 1    1   19    9 o  373.228   16.359 56974.36  4957.67 51458.19  8925.46 59435.62  5961.97  349.824   31.769  380.161   19.379 -30.33667 37.21303 
1 1 1    1   19   10 o  263.918   12.636 28418.55  2707.81 23696.39  5068.21 30304.96  3203.33  237.565   26.739  271.935   14.561 -34.36987 30.44662 
1 1 1    1   19   11 f  466.868   19.303 89653.84  7317.31 88742.40 13067.83 90070.15  8831.71  456.270   35.554  466.564   23.313 -10.29453 42.51538 
1 1 1    1   19   12 f  360.214   16.208 53236.60  4740.50 44362.79  8616.42 57088.54  5676.90  321.877   33.457  371.871   18.863 -49.99442 38.40831 
1 1 1    1   19   13 o  154.076   8.7102  9703.66  1085.22 14059.72  2298.57  8454.13  1231.07  184.401   15.495  143.525   10.639 40.87566 18.79641 
1 1 1    1   19   14 o  487.459   20.358 98978.03  8057.73 95251.66 14434.59 100664.90  9711.74  461.809   38.856  488.230   24.577 -26.42133 45.97621 
1 1 1    1   19   15 o  200.865   10.448 16581.67  1698.09 19702.23  3678.09 15736.37  1914.31  215.073   21.344  195.247   12.135 19.82516 24.55241 
1 1 1    1   19   16 o  110.943   10.605  5108.49  943.708  5858.46  2413.96  4973.19  1025.31  113.360   26.671  109.180   11.751 4.180481 29.14500 
1 1 1    1   19   17 o   47.436   14.433  949.850  605.536 -2606.8540  2523.25  1167.20  623.764   49.120   23.332   51.995   14.319 -2.875008 27.37578 
1 1 1    1   19   18 o  136.946   11.042  7834.56  1217.42  8386.13  3074.26  7731.97  1325.81  131.449   29.525  135.635   12.168 -4.185822 31.93398 
1 1 1    1   19   19 o   84.450   21.244  3311.03  1455.41  2268.06  3144.11  3595.46  1641.91   77.545   31.630   87.349   22.878 -9.803520 39.03667 
1 1 1    1   19   20 o   40.611   18.144 -272.2566  1222.37  767.268  2488.56 -602.8237  1403.33   62.239   26.896   41.258   18.836 20.98155 32.83539 
1 1 1    1   19   21 o   49.536   17.891  1018.05  922.681  4378.45  2919.78  645.241  972.517   86.593   31.742   45.046   17.860 41.54697 36.42186 
1 1 1    1   19   22 o  131.721   15.959  8010.71  1672.02   0.0000   0.0000  8010.71  1672.02  ?   ?   131.721   15.959 0.000000 15.95885 
1 1 1    1   19   23 o   80.441   24.788  3961.96  1779.07   0.0000   0.0000  3961.96  1779.07  ?   ?    80.441   24.788 0.000000 24.78751 
1 1 1    1   21    0 o  362.656   28.217 54587.98  8243.36   0.0000   0.0000 54587.98  8243.36  ?   ?   362.656   28.217 0.000000 28.21651 
1 1 1    1   21    1 o  149.671   19.199  9311.18  2279.44   0.0000   0.0000  9311.18  2279.44  ?   ?   149.671   19.199 0.000000 19.19915 
1 1 1    1   21    2 o  329.981   18.726 44675.40  4996.72 39931.88  7035.37 49503.60  7097.90  309.781   28.282  345.925   25.449 -36.14438 38.04628 
1 1 1    1   21    3 o  210.364   11.435 18070.13  1945.93 19828.50  3369.63 17190.31  2383.55  219.314   19.114  204.807   14.425 14.50676 23.94611 
1 1 1    1   21    4 o  343.093   18.898 48319.38  5244.40 46369.28  7542.01 50145.06  7297.44  333.864   28.082  347.854   26.025 -13.99051 38.28735 
1 1 1    1   21    5 o  747.173   37.254 234161.59 22601.27 239188.70 32102.34 229220.91 31825.50  740.896   53.728  724.521   54.498 16.37506 76.52933 
1 1 1    1   21    6 o  456.864   23.825 86186.23  8807.32 84723.21 12615.82 87577.16 12300.99  448.687   34.903  456.897   33.389 -8.210449 48.30164 
1 1 1    1   21    7 o  604.943   30.892 152835.70 15123.49 149831.91 21579.44 155735.00 21201.25  589.540   45.431  602.442   43.638 -12.90173 62.99352 
1 1 1    1   21    8 o  272.236   16.061 30425.04  3534.56 29837.87  5212.32 30924.90  4809.23  267.705   24.242  273.199   21.863 -5.493561 32.64478 
1 1 1    1   21    9 o  213.637   9.3072 18582.79  1614.49 21557.26  3251.11 17609.15  1860.05  228.588   17.653  207.549   11.077 21.03969 20.84076 
1 1 1    1   21   10 o  326.510   15.126 43649.98  4010.09 37073.65  7425.27 46357.86  4764.70  295.322   31.449  335.554   17.549 -40.23242 36.01423 
1 1 1    1   21   11 o  205.335   9.6714 17184.93  1612.46 19214.31  3348.31 16572.18  1839.86  215.018   19.387  201.183   11.309 13.83487 22.44419 
1 1 1    1   21   12 o  340.636   15.176 47656.67  4197.38 44077.43  7816.16 49107.16  4975.72  320.868   30.362  344.585   17.845 -23.71689 35.21733 
1 1 1    1   21   13 o   48.524   11.048  1001.63  425.544 -2260.7380  1574.92  1258.57  441.984   37.187   17.871   54.601   10.348 -17.41430 20.65113 
1 1 1    1   21   14 o  159.555   9.4972 10455.59  1224.84 15889.75  3069.66  9426.58  1335.78  193.536   19.813  151.178   10.956 42.35843 22.64085 
1 1 1    1   21   15 o   64.580   12.159  1776.79  614.188  288.050  2633.30  1862.44  631.609   64.863   27.845   66.147   12.210 -1.283783 30.40450 
1 1 1    1   21   16 o  103.711   14.982  4594.69  1225.07  6645.73  3089.21  4211.94  1334.49  117.313   31.685   98.416   17.333 18.89639 36.11644 
1 1 1    1   21   17 o  158.447   16.240 10775.26  2059.85  8936.05  3992.89 11442.24  2404.51  130.802   36.310  161.988   18.620 -31.18575 40.80545 
1 1 1    1   21   18 o   21.729   10.830 -1927.1970  766.148 -496.9856  2418.68 -2086.7080  807.742   55.911   25.206   22.085   11.026 33.82573 27.51233 
1 1 1    1   21   19 o   60.071   17.159  1630.22  878.524  2381.75  3682.25  1584.86  904.649   78.714   33.329   59.290   17.552 19.42431 37.66875 
1 1 1    1   21   20 o   53.957   17.476  1306.02  874.179 -1104.8230  3999.58  1426.96  895.839   63.418   29.899   56.012   17.644 7.405109 34.71663 
1 1 1    1   21   21 o   26.910   12.920 -1022.3760  818.893   0.0000   0.0000 -1022.3760  818.893  ?   ?    26.910   12.920 0.000000 12.92016 
1 1 1    1   21   22 o   83.624   19.642  3612.02  1310.98   0.0000   0.0000  3612.02  1310.98  ?   ?    83.624   19.642 0.000000 19.64189 
1 1 1    1   23    0 o  128.514   13.666  6811.52  1404.14   0.0000   0.0000  6811.52  1404.14  ?   ?   128.514   13.666 0.000000 13.66594 
1 1 1    1   23    1 o  391.859   21.405 63240.76  6784.84   0.0000   0.0000 63240.76  6784.84  ?   ?   391.859   21.405 0.000000 21.40515 
1 1 1    1   23    2 o  310.564   14.728 39374.83  3713.96 32940.10  6536.12 42443.11  4513.39  280.400   29.133  321.636   17.346 -41.23657 33.90650 
1 1 1    1   23    3 o   50.662   13.958  1079.38  592.558  793.216  1124.40  1189.42  697.237   51.751   19.556   53.356   15.301 -1.605412 24.83013 
1 1 1    1   23    4 o  256.136   13.485 26841.25  2794.60 26697.87  4870.82 26911.61  3412.06  253.368   23.961  255.985   16.504 -2.616760 29.09444 
1 1 1    1   23    5 o  454.215   24.326 85429.29  8939.17 79769.78 12836.41 90758.27 12455.96  433.431   36.823  464.332   33.258 -30.90012 49.61864 
1 1 1    1   23    6 o  113.984   12.985  5369.84  1180.34  4606.54  1933.44  5823.34  1490.28  103.632   23.516  118.262   15.924 -14.63033 28.40078 
1 1 1    1   23    7 o  296.233   17.657 36122.45  4227.73 33019.87  6206.55 38808.21  5774.60  280.377   27.622  305.524   23.457 -25.14682 36.23759 
1 1 1    1   23    8 o  564.276   29.168 133611.00 13318.26 134859.80 19129.09 132436.20 18553.82  556.821   42.634  552.600   41.657 4.221069 59.60658 
1 1 1    1   23    9 o  265.610   10.717 28774.52  2311.36 36038.39  4667.10 26413.95  2660.55  295.039   19.593  253.888   12.949 41.15068 23.48556 
1 1 1    1   23   10 o  200.769   9.5028 16432.84  1549.12 19432.24  3313.53 15593.89  1752.43  216.169   19.074  195.117   11.107 21.05176 22.07206 
1 1 1    1   23   11 o  187.234   11.015 14377.77  1667.20 10489.47  3526.16 15497.25  1892.04  154.886   29.107  194.221   12.057 -39.33559 31.50545 
1 1 1    1   23   12 o  173.728   9.8994 12379.96  1390.65 11452.64  3180.40 12599.17  1546.30  162.723   24.860  175.070   10.933 -12.34703 27.15768 
1 1 1    1   23   13 o  214.989   15.524 19294.70  2691.70 17740.50  4413.87 20214.90  3396.32  200.144   27.921  218.455   19.347 -18.31055 33.96908 
1 1 1    1   23   14 o   60.225   17.026  1567.68  869.638  1486.94  2300.84  1581.13  939.317   69.873   27.545   60.629   17.868 9.243668 32.83286 
1 1 1    1   23   15 o   26.910   12.724 -821.4247  734.211 -1531.1500  2805.10 -769.2264  760.731   56.794   26.187   27.960   13.137 28.83429 29.29735 
1 1 1    1   23   16 o   33.486   14.203   56.185  670.531 -5417.3130  3146.23  316.626  686.298   47.727   23.447   37.297   14.933 10.42929 27.79851 
1 1 1    1   23   17 o   46.246   16.973  780.078  835.208  2591.97  3520.20  671.997  859.757   81.766   33.423   44.986   17.076 36.77941 37.53270 
1 1 1    1   23   18 o   86.749   14.840  3310.25  1007.71  3942.68  4104.99  3269.69  1039.52   88.737   36.162   85.932   15.467 2.805000 39.33112 
1 1 1    1   23   19 o   75.977   18.128  2690.64  1102.72  5232.12  4444.55  2523.94  1138.31   91.773   37.540   73.176   18.993 18.59672 42.07071 
1 1 1    1   23   20 o   56.217   18.797  1475.25  1008.41   0.0000   0.0000  1475.25  1008.41  ?   ?    56.217   18.797 0.000000 18.79687 
1 1 1    1   23   21 o   87.319   18.756  3810.21  1290.10   0.0000   0.0000  3810.21  1290.10  ?   ?    87.319   18.756 0.000000 18.75553 
1 1 1    1   23   22 o   87.478   28.613  5626.86  2340.92   0.0000   0.0000  5626.86  2340.92  ?   ?    87.478   28.613 0.000000 28.61306 
1 1 1    1   25    0 o  207.515   15.445 17707.34  2583.82   0.0000   0.0000 17707.34  2583.82  ?   ?   207.515   15.445 0.000000 15.44526 
1 1 1    1   25    1 o  373.934   21.114 57733.58  6384.45   0.0000   0.0000 57733.58  6384.45  ?   ?   373.934   21.114 0.000000 21.11395 
1 1 1    1   25    2 o  488.756   21.415 98397.98  8498.75 86645.20 14936.88 104024.20 10334.67  448.247   41.511  500.418   25.519 -52.17081 48.72776 
1 1 1    1   25    3 o  424.723   19.256 74125.00  6640.73 68093.83 11647.46 77029.75  8083.22  399.579   36.296  431.220   23.171 -31.64072 43.06111 
1 1 1    1   25    4 o  610.466   25.677 154703.59 12727.32 145800.09 22146.61 159094.09 15551.95  575.704   47.810  615.117   31.240 -39.41345 57.11166 
1 1 1    1   25    5 f  422.293   19.419 73382.28  6658.57 75381.52 11577.55 72394.14  8139.43  420.938   34.168  417.275   24.126 3.662659 41.82772 
1 1 1    1   25    6 o  168.366   14.133 11676.44  1914.27 13140.77  3023.32 10696.55  2473.17  177.129   21.459  160.041   19.430 17.08798 28.94880 
1 1 1    1   25    7 o  314.526   18.843 40894.14  4790.02 39775.03  7111.91 41823.30  6480.29  306.507   28.918  315.784   25.491 -9.276855 38.54922 
1 1 1    1   25    8 o  245.142   16.391 24808.14  3243.74 24576.59  4984.84 24978.19  4271.92  241.066   25.871  244.466   21.748 -3.400192 33.79825 
1 1 1    1   25    9 o  256.205   17.060 27183.64  3528.71 24868.63  5436.50 28868.99  4638.63  240.871   28.339  262.399   21.974 -21.52774 35.86002 
1 1 1    1   25   10 o  225.097   16.157 21031.32  2933.31 18559.34  4556.62 22780.67  3833.19  206.964   27.819  232.810   20.486 -25.84578 34.54872 
1 1 1    1   25   11 o  121.709   14.815  6211.89  1433.88  9088.23  2802.79  5192.21  1668.79  144.107   24.851  109.843   19.421 34.26402 31.53967 
1 1 1    1   25   12 f   94.620   16.467  3839.97  1219.20  4636.21  2915.73  3671.25  1342.18  100.921   31.836   91.862   18.632 9.059395 36.88709 
1 1 1    1   25   13 o   99.742   9.4154  4121.19  753.507  5720.66  2751.57  3991.51  783.456  110.337   29.947   98.024   9.9827 12.31332 31.56687 
1 1 1    1   25   14 o   30.704   12.766  105.054  525.225  4450.88  3124.90 -21.2845  532.805   97.056   33.086   29.121   12.514 67.93483 35.37351 
1 1 1    1   25   15 o  202.780   12.308 17225.70  2016.92 13557.84  5284.22 17851.18  2182.13  156.675   41.046  206.015   13.113 -49.33955 43.08965 
1 1 1    1   25   16 f  123.566   11.603  6436.16  1150.51  6007.01  4270.55  6469.75  1194.68  104.481   38.375  123.716   12.046 -19.23485 40.22113 
1 1 1    1   25   17 o   33.778   14.473   34.798  708.980 -3597.7200  4058.28  149.152  720.053   59.004   28.439   35.387   14.847 23.61753 32.08189 
1 1 1    1   25   18 o   50.487   17.395  1088.26  864.308 -2791.9600  4675.48  1225.55  879.466   63.361   30.536   52.771   17.551 10.58962 35.22064 
1 1 1    1   25   19 o   42.325   17.257  487.727  935.379   0.0000   0.0000  487.727  935.379  ?   ?    42.325   17.257 0.000000 17.25674 
1 1 1    1   25   20 o   62.083   20.578  1986.10  1209.34   0.0000   0.0000  1986.10  1209.34  ?   ?    62.083   20.578 0.000000 20.57839 
1 1 1    1   25   21 o   38.316   18.072 -685.0325  1463.92   0.0000   0.0000 -685.0325  1463.92  ?   ?    38.316   18.072 0.000000 18.07177 
1 1 1    1   27    0 o  238.036   17.170 23384.94  3296.35   0.0000   0.0000 23384.94  3296.35  ?   ?   238.036   17.170 0.000000 17.17031 
1 1 1    1   27    1 o  255.598   17.519 26964.21  3613.81   0.0000   0.0000 26964.21  3613.81  ?   ?   255.598   17.519 0.000000 17.51854 
1 1 1    1   27    2 f  163.892   16.274 11125.40  2136.97   0.0000   0.0000 11125.40  2136.97  ?   ?   163.892   16.274 0.000000 16.27354 
1 1 1    1   27    3 o  464.518   20.931 89190.42  7894.66 88489.27 13974.73 89519.06  9567.62  451.909   38.450  462.707   25.565 -10.79858 46.17371 
1 1 1    1   27    4 o  254.606   14.896 26659.71  3065.96 23500.05  5516.89 28071.63  3687.90  234.516   29.634  260.652   17.527 -26.13586 34.42906 
1 1 1    1   27    5 o  288.962   15.578 34379.72  3641.41 38719.22  6394.14 32296.80  4429.95  302.954   26.253  278.876   19.690 24.07782 32.81667 
1 1 1    1   27    6 o  294.744   18.645 36036.10  4439.16 37808.88  6714.95 34659.87  5916.44  298.018   28.081  286.310   25.724 11.70813 38.08272 
1 1 1    1   27    7 o  349.279   21.729 51084.28  6131.83 42257.38  9097.46 58432.66  8300.65  308.735   37.030  370.128   27.823 -61.39304 46.31777 
1 1 1    1   27    8 o  111.843   16.019  5268.59  1413.17  6060.05  2638.94  4950.36  1673.32  116.767   28.160  107.345   19.932 9.421654 34.50071 
1 1 1    1   27    9 o  173.441   16.356 12595.46  2276.19  8550.43  3819.57 14823.07  2834.48  135.825   34.552  187.371   18.889 -51.54608 39.37747 
1 1 1    1   27   10 o   55.266   9.3880  1285.27  406.205  533.122  2961.56  1299.69  410.081   70.047   29.785   55.575   9.4243 14.47168 31.24067 
1 1 1    1   27   11 f  251.405   12.568 26164.91  2565.59 28170.07  6036.05 25722.77  2834.37  248.128   30.609  248.277   14.118 -0.1492462 33.70779 
1 1 1    1   27   12 f   77.539   9.8113  2512.55  603.886 -425.9887  3356.08  2610.88  613.906   67.512   30.120   79.073   9.7695 -11.56049 31.66513 
1 1 1    1   27   13 o  193.678   11.510 15622.35  1801.93 16916.40  4742.24 15403.99  1948.04  186.710   32.459  191.850   12.575 -5.140396 34.80979 
1 1 1    1   27   14 o  147.949   10.260  9112.99  1224.96  7942.04  3917.29  9239.90  1289.63  121.781   36.633  148.803   10.746 -27.02199 38.17634 
1 1 1    1   27   15 o   26.901   12.109 -244.4330  555.723  465.324  3814.61 -259.8232  561.716   71.946   32.104   26.904   12.137 45.04173 34.32164 
1 1 1    1   27   16 o   28.416   12.612 -159.6319  580.581  468.918  3680.88 -175.6683  587.941   69.375   31.203   28.428   12.651 40.94713 33.66961 
1 1 1    1   27   17 o   38.571   15.621  363.356  760.419 -5052.9419  4102.08  556.104  773.831   54.268   26.683   41.433   16.078 12.83464 31.15313 
1 1 1    1   27   18 o   28.098   13.214 -686.4790  772.434   0.0000   0.0000 -686.4790  772.434  ?   ?    28.098   13.214 0.000000 13.21406 
1 1 1    1   27   19 o   71.241   20.184  2629.11  1220.81   0.0000   0.0000  2629.11  1220.81  ?   ?    71.241   20.184 0.000000 20.18444 
1 1 1    1   27   20 o   45.412   20.196  431.165  1496.31   0.0000   0.0000  431.165  1496.31  ?   ?    45.412   20.196 0.000000 20.19626 
1 1 1    1   29    0 o  341.472   21.564 48730.75  5948.23   0.0000   0.0000 48730.75  5948.23  ?   ?   341.472   21.564 0.000000 21.56408 
1 1 1    1   29    1 o  334.133   21.126 46624.52  5702.02   0.0000   0.0000 46624.52  5702.02  ?   ?   334.133   21.126 0.000000 21.12577 
1 1 1    1   29    2 o  360.464   31.210 56049.22  9044.43   0.0000   0.0000 56049.22  9044.43  ?   ?   360.464   31.210 0.000000 31.20958 
1 1 1    1   29    3 o  282.305   26.529 33995.37  6009.60   0.0000   0.0000 33995.37  6009.60  ?   ?   282.305   26.529 0.000000 26.52853 
1 1 1    1   29    4 o  299.183   20.270 37482.68  4894.98 35285.88  7427.75 39169.20  6508.14  283.368   32.895  302.512   26.772 -19.14413 42.41233 
1 1 1    1   29    5 o  327.751   21.209 45224.56  5613.82 43473.66  8488.95 46585.43  7483.96  312.836   33.965  328.141   28.368 -15.30545 44.25334 
1 1 1    1   29    6 o   63.013   18.697  1686.05  1025.59  1222.06  2259.43  1806.45  1151.00   68.386   27.189   65.361   19.901 3.025795 33.69410 
1 1 1    1   29    7 o  169.798   15.646 12074.64  2132.89  8810.95  3797.86 13578.24  2577.80  137.290   34.197  179.309   17.947 -42.01826 38.62002 
1 1 1    1   29    8 o   91.011   20.518  3647.01  1480.04  8335.82  3649.52  2724.06  1619.17  132.707   33.782   78.783   23.519 53.92393 41.16243 
1 1 1    1   29    9 o  120.908   19.260  6343.66  1827.40  9283.37  3997.40  5567.00  2054.66  138.087   35.466  111.486   23.441 26.60101 42.51296 
1 1 1    1   29   10 o   95.362   9.1651  3769.63  700.920  3891.73  3811.63  3765.36  713.081   95.190   35.997   95.270   9.3382 -0.8017731E-01 37.18876 
1 1 1    1   29   11 o  175.003   11.241 12739.99  1588.88 16105.56  5204.30 12394.04  1668.54  178.156   37.179  172.313   12.001 5.843384 39.06745 
1 1 1    1   29   12 o  112.919   9.8575  5308.72  894.733 10440.77  4465.51  5094.07  913.253  139.406   38.281  110.469   10.300 28.93629 39.64256 
1 1 1    1   29   13 o   69.825   11.754  2088.97  642.744  2670.99  4314.88  2075.76  649.996   85.698   36.171   69.546   11.941 16.15244 38.09135 
1 1 1    1   29   14 o   47.695   13.857  991.236  568.510  1482.69  4597.21  983.604  572.907   79.608   35.403   47.543   13.938 32.06500 38.04769 
1 1 1    1   29   15 o  118.821   11.805  6022.54  1123.87  5999.03  4645.80  6024.01  1158.27   98.230   39.008  118.646   12.197 -20.41581 40.87062 
1 1 1    1   29   16 o   79.272   13.442  2778.96  834.287  899.883  5437.38  2824.27  844.284   75.108   35.237   79.905   13.493 -4.797424 37.73255 
1 1 1    1   29   17 o   78.127   16.905  2879.40  1041.22   0.0000   0.0000  2879.40  1041.22  ?   ?    78.127   16.905 0.000000 16.90470 
1 1 1    1   29   18 o   77.748   18.788  3048.94  1172.89   0.0000   0.0000  3048.94  1172.89  ?   ?    77.748   18.788 0.000000 18.78829 
1 1 1    1   29   19 o   43.099   17.669  693.664  987.305   0.0000   0.0000  693.664  987.305  ?   ?    43.099   17.669 0.000000 17.66864 
1 1 1    1   31    1 o  185.278   19.827 14597.25  2936.44   0.0000   0.0000 14597.25  2936.44  ?   ?   185.278   19.827 0.000000 19.82681 
1 1 1    1   31    2 o  245.196   20.209 25526.79  3987.64   0.0000   0.0000 25526.79  3987.64  ?   ?   245.196   20.209 0.000000 20.20922 
1 1 1    1   31    3 f  148.098   20.104  9416.98  2355.06   0.0000   0.0000  9416.98  2355.06  ?   ?   148.098   20.104 0.000000 20.10417 
1 1 1    1   31    4 o  303.879   18.228 38966.85  4476.73 40895.63  8611.17 38252.49  5240.59  295.208   36.718  298.690   21.758 -3.481689 42.68061 
1 1 1    1   31    5 o  267.264   17.590 30165.89  3795.86 30991.11  7269.20 29856.51  4450.89  256.219   35.929  263.775   20.954 -7.556091 41.59283 
1 1 1    1   31    6 o  300.582   18.448 38390.98  4480.64 41196.25  8470.96 37301.25  5279.67  293.798   36.280  293.260   22.341 0.5374146 42.60696 
1 1 1    1   31    7 o  329.727   19.759 46663.66  5265.54 56165.48  9720.59 42717.72  6264.18  342.371   35.482  310.389   25.069 31.98160 43.44476 
1 1 1    1   31    8 o  272.612   18.514 31869.50  4073.79 34924.12  7593.10 30634.85  4827.38  267.211   35.905  263.723   22.767 3.488007 42.51488 
1 1 1    1   31    9 o   67.558   21.437  1997.49  1320.57  303.137  4395.22  2165.62  1384.54   77.944   34.642   70.005   21.916 7.939018 40.99201 
1 1 1    1   31   10 o  100.808   21.278  4614.12  1686.94  3654.29  4870.26  4744.98  1798.26   94.313   39.014  101.746   22.376 -7.432556 44.97495 
1 1 1    1   31   11 o  166.721   11.847 11674.58  1593.31 12243.08  6016.75 11631.71  1652.30  139.298   45.887  166.182   12.333 -26.88374 47.51598 
1 1 1    1   31   12 o   92.297   10.279  3587.35  757.262 -250.2282  4548.44  3696.76  767.980   73.401   33.659   93.716   10.260 -20.31551 35.18850 
1 1 1    1   31   13 o  130.838   10.653  7214.57  1121.92  3176.23  6195.66  7351.48  1140.77   88.970   40.205  132.045   10.733 -43.07442 41.61286 
1 1 1    1   31   14 o  136.770   11.575  7980.71  1273.34  7712.54  5791.89  7994.33  1305.27  101.880   42.377  136.714   11.876 -34.83365 44.01011 
1 1 1    1   31   15 o   60.822   15.542  1706.37  770.372 -3722.6030  6370.23  1786.94  776.068   67.012   33.008   62.291   15.425 4.721905 36.43423 
1 1 1    1   31   16 o   41.028   16.301  549.575  811.667   0.0000   0.0000  549.575  811.667  ?   ?    41.028   16.301 0.000000 16.30101 
1 1 1    1   31   17 o   46.592   17.694  942.815  923.411   0.0000   0.0000  942.815  923.411  ?   ?    46.592   17.694 0.000000 17.69420 
1 1 1    1   31   18 o   53.611   18.605  1527.04  989.578   0.0000   0.0000  1527.04  989.578  ?   ?    53.611   18.605 0.000000 18.60463 
1 1 1    1   33    0 o   83.943   26.892  3150.99  2074.33   0.0000   0.0000  3150.99  2074.33  ?   ?    83.943   26.892 0.000000 26.89207 
1 1 1    1   33    1 o   80.414   26.729  2832.62  2039.75   0.0000   0.0000  2832.62  2039.75  ?   ?    80.414   26.729 0.000000 26.72886 
1 1 1    1   33    2 o  170.769   35.147 14214.04  4710.96   0.0000   0.0000 14214.04  4710.96  ?   ?   170.769   35.147 0.000000 35.14697 
1 1 1    1   33    3 o   74.946   32.033  902.247  3457.66   0.0000   0.0000  902.247  3457.66  ?   ?    74.946   32.033 0.000000 32.03333 
1 1 1    1   33    4 o  129.908   41.351  8968.44  4910.53   0.0000   0.0000  8968.44  4910.53  ?   ?   129.908   41.351 0.000000 41.35073 
1 1 1    1   33    5 o  111.039   41.276  6244.44  4967.22   0.0000   0.0000  6244.44  4967.22  ?   ?   111.039   41.276 0.000000 41.27597 
1 1 1    1   33    6 o   71.635   33.363 -2101.6321  4729.38   0.0000   0.0000 -2101.6321  4729.38  ?   ?    71.635   33.363 0.000000 33.36291 
1 1 1    1   33    7 o  157.196   24.089 11279.58  2976.61   0.0000   0.0000 11279.58  2976.61  ?   ?   157.196   24.089 0.000000 24.08856 
1 1 1    1   33    8 o   86.224   25.362  3510.96  1894.05   0.0000   0.0000  3510.96  1894.05  ?   ?    86.224   25.362 0.000000 25.36172 
1 1 1    1   33    9 o  168.931   24.485 13288.55  3260.56   0.0000   0.0000 13288.55  3260.56  ?   ?   168.931   24.485 0.000000 24.48454 
1 1 1    1   33   10 o  229.061   27.872 25573.47  5077.00   0.0000   0.0000 25573.47  5077.00  ?   ?   229.061   27.872 0.000000 27.87172 
1 1 1    1   33   11 o  117.935   10.210  5851.87  968.037 12260.25  6204.07  5691.96  980.041  128.713   46.408  116.183   10.502 12.52939 47.58146 
1 1 1    1   33   12 o  160.890   11.434 11002.60  1483.94 15309.53  7154.66 10808.99  1516.93  131.313   49.394  159.219   11.818 -27.90625 50.78830 
1 1 1    1   33   13 o   92.371   10.752  3658.24  791.326  9306.41  5652.42  3545.33  799.197  105.183   42.593   90.774   11.073 14.40811 44.00834 
1 1 1    1   33   14 o  102.416   12.491  4614.67  1017.22 -4144.4858  6201.89  4856.83  1031.19   63.573   31.541  105.215   12.303 -41.64189 33.85509 
1 1 1    1   33   15 o  112.175   12.548  5611.41  1123.31   0.0000   0.0000  5611.41  1123.31  ?   ?   112.175   12.548 0.000000 12.54774 
1 1 1    1   33   16 o   27.343   12.521 -279.9964  626.259   0.0000   0.0000 -279.9964  626.259  ?   ?    27.343   12.521 0.000000 12.52070 
1 1 1    1   35    0 o  157.400   25.889 11507.10  3193.61   0.0000   0.0000 11507.10  3193.61  ?   ?   157.400   25.889 0.000000 25.88878 
1 1 1    1   35    1 o   99.771   29.559  4860.00  2564.94   0.0000   0.0000  4860.00  2564.94  ?   ?    99.771   29.559 0.000000 29.55932 
1 1 1    1   35    2 o   88.702   28.732  3746.71  2362.86   0.0000   0.0000  3746.71  2362.86  ?   ?    88.702   28.732 0.000000 28.73151 
1 1 1    1   35    3 o  102.869   29.753  5223.23  2626.33   0.0000   0.0000  5223.23  2626.33  ?   ?   102.869   29.753 0.000000 29.75293 
1 1 1    1   35    4 f  131.653   27.195  8300.81  2810.85   0.0000   0.0000  8300.81  2810.85  ?   ?   131.653   27.195 0.000000 27.19479 
1 1 1    1   35    5 o  104.868   27.170  5358.66  2332.21 10802.41  5450.05  4138.35  2580.41  132.865   43.668   91.548   30.046 41.31612 53.00641 
1 1 1    1   35    6 o  109.416   27.558  5903.29  2447.01 12552.44  6367.91  4751.35  2650.51  136.438   47.203   96.736   30.329 39.70169 56.10735 
1 1 1    1   35    7 o   66.859   24.098  1934.63  1672.56 -332.5499  5869.47  2135.00  1744.90   79.613   37.108   69.339   24.653 10.27387 44.55095 
1 1 1    1   35    8 o  155.798   23.705 11496.25  2904.20  8480.73  7596.89 12012.39  3142.93  108.189   46.872  157.707   25.407 -49.51804 53.31524 
1 1 1    1   35    9 o   97.035   39.682  5856.76  4964.79  8951.28  5654.11 -4563.8701 10375.63  111.315   43.387   82.885   41.064 28.43045 59.73886 
1 1 1    1   35   10 o  104.351   43.072  8507.83  5917.70 10375.52  6975.84  3713.91 11176.12  108.488   45.902   90.894   44.560 17.59405 63.97332 
1 1 1    1   35   11 o   64.259   11.073  1798.96  556.907 -2641.9480  7587.53  1823.02  558.413   72.990   35.966   64.715   11.022 8.275391 37.61707 
1 1 1    1   35   12 f   16.862   8.1141 -470.1644  327.233  2348.77  6303.34 -477.7822  327.675   75.671   36.203   16.809   8.0966 58.86137 37.09696 
1 1 1    1   35   13 o   63.095   13.154  1820.24  652.076   0.0000   0.0000  1820.24  652.076  ?   ?    63.095   13.154 0.000000 13.15429 
1 1 1    1   35   14 o  121.418   13.885  6800.00  1344.29   0.0000   0.0000  6800.00  1344.29  ?   ?   121.418   13.885 0.000000 13.88515 
1 1 1    1   37    0 o   86.966   30.348  3816.73  2634.81   0.0000   0.0000  3816.73  2634.81  ?   ?    86.966   30.348 0.000000 30.34774 
1 1 1    1   37    1 f  171.004   29.615 14718.93  3963.09   0.0000   0.0000 14718.93  3963.09  ?   ?   171.004   29.615 0.000000 29.61497 
1 1 1    1   37    2 o  127.796   32.738  8773.79  3412.29   0.0000   0.0000  8773.79  3412.29  ?   ?   127.796   32.738 0.000000 32.73825 
1 1 1    1   37    3 f   91.901   32.323  4489.02  2991.73   0.0000   0.0000  4489.02  2991.73  ?   ?    91.901   32.323 0.000000 32.32282 
1 1 1    1   37    4 o   44.126   21.129 -2259.1951  2157.15   0.0000   0.0000 -2259.1951  2157.15  ?   ?    44.126   21.129 0.000000 21.12869 
1 1 1    1   37    5 o  105.341   33.287  6295.65  3186.49   0.0000   0.0000  6295.65  3186.49  ?   ?   105.341   33.287 0.000000 33.28666 
1 1 1    1   37    6 o   79.197   29.826  3178.90  2610.28  6481.24  8283.58  2814.83  2750.40   96.719   44.737   76.606   30.143 20.11278 53.94418 
1 1 1    1   37    7 o   56.767   24.847  480.089  2181.45  9304.29  7819.72 -264.5915  2271.64  101.720   45.636   53.394   24.216 48.32631 51.66300 
1 1 1    1   37    8 o  101.498   31.524  6099.96  2870.96  3454.53  9101.61  6392.26  3025.42   85.251   41.445  102.861   32.427 -17.60922 52.62349 
1 1 1    1   37    9 o   47.468   22.217 -966.4701  2139.80 -10435.6396  8524.98 -329.7741  2210.57   64.905   32.840   51.168   23.465 13.73648 40.36169 
1 1 1    1   37   10 o   92.482   30.109  5384.18  2593.19  2501.16  9744.84  5603.89  2690.19   76.577   38.241   93.626   30.676 -17.04879 49.02393 
1 1 1    1   37   11 o   60.403   12.144  1651.30  574.950   0.0000   0.0000  1651.30  574.950  ?   ?    60.403   12.144 0.000000 12.14394 
1 1 1    1   37   12 o   71.170   11.146  2267.04  622.960   0.0000   0.0000  2267.04  622.960  ?   ?    71.170   11.146 0.000000 11.14605 
1 1 1    1   39    0 o  120.835   37.942  9742.56  4146.38   0.0000   0.0000  9742.56  4146.38  ?   ?   120.835   37.942 0.000000 37.94229 
1 1 1    1   39    1 o   97.894   34.497  6034.21  3409.34   0.0000   0.0000  6034.21  3409.34  ?   ?    97.894   34.497 0.000000 34.49736 
1 1 1    1   39    2 o  148.955   35.980 13678.29  4302.82   0.0000   0.0000 13678.29  4302.82  ?   ?   148.955   35.980 0.000000 35.98029 
1 1 1    1   39    3 o  116.701   37.450  9267.67  4021.52   0.0000   0.0000  9267.67  4021.52  ?   ?   116.701   37.450 0.000000 37.44995 
1 1 1    1   39    4 o  175.590   37.226 19671.89  5142.65   0.0000   0.0000 19671.89  5142.65  ?   ?   175.590   37.226 0.000000 37.22558 
1 1 1    1   39    5 o   53.673   25.167 -844.3531  2766.79   0.0000   0.0000 -844.3531  2766.79  ?   ?    53.673   25.167 0.000000 25.16662 
1 1 1    1   39    6 o   66.212   29.280  1738.02  3101.90   0.0000   0.0000  1738.02  3101.90  ?   ?    66.212   29.280 0.000000 29.27998 
1 1 1    1   39    7 o   88.092   32.342  5416.60  3032.87 -18070.4004 12098.20  6991.60  3132.91   64.362   33.073  100.177   33.118 -35.81450 46.80351 
1 1 1    1   39    8 o   69.059   29.423  2906.29  2900.16 -11896.8301 11708.15  3873.95  2993.45   64.319   33.025   74.901   30.743 -10.58157 45.11926 
1 1 1    1   39    9 f   60.525   27.697  1563.70  3057.59   0.0000   0.0000  1563.70  3057.59  ?   ?    60.525   27.697 0.000000 27.69683 
1 1 1    1   39   10 o   78.078   31.308  5298.33  3021.66   0.0000   0.0000  5298.33  3021.66  ?   ?    78.078   31.308 0.000000 31.30788 
1 1 1    1   41    0 o   58.695   28.010 -249.5456  3723.47   0.0000   0.0000 -249.5456  3723.47  ?   ?    58.695   28.010 0.000000 28.00990 
1 1 1    1   41    1 o  108.956   41.081 12017.98  4954.85   0.0000   0.0000 12017.98  4954.85  ?   ?   108.956   41.081 0.000000 41.08070 
1 1 1    1   41    2 o   83.840   35.469  6286.51  4164.18   0.0000   0.0000  6286.51  4164.18  ?   ?    83.840   35.469 0.000000 35.46861 
1 1 1    1   41    3 o   73.984   33.266  4321.37  4180.10   0.0000   0.0000  4321.37  4180.10  ?   ?    73.984   33.266 0.000000 33.26556 
1 1 1    1   41    4 o  101.257   39.086 10684.50  4554.21   0.0000   0.0000 10684.50  4554.21  ?   ?   101.257   39.086 0.000000 39.08573 
1 1 1    1   41    5 o   79.827   35.158  6750.52  4427.97   0.0000   0.0000  6750.52  4427.97  ?   ?    79.827   35.158 0.000000 35.15777 
1 1 1    1   41    6 o   49.523   24.168 -1464.4010  3178.78   0.0000   0.0000 -1464.4010  3178.78  ?   ?    49.523   24.168 0.000000 24.16808 
1 1 1    2    0    1 o  248.075   18.580 25490.52  3694.29 25490.52  3694.29   0.0000   0.0000  248.075   18.580  248.075   18.580 0.000000 0.000000 
1 1 1    2    0    4 o   82.864   6.7639  2844.08  448.116  2814.13  634.197  2873.94  633.268   81.438   9.9942   82.391   9.8365 0.000000 0.000000 
1 1 1    2    0    5 o  252.600   13.194 26146.54  2689.36 25217.08  3802.34 27076.97  3804.33  246.695   19.252  255.969   18.527 0.000000 0.000000 
1 1 1    2    0    6 o  241.388   12.732 23870.95  2479.58 22251.21  3504.58 25494.55  3508.75  231.629   18.925  248.565   17.587 0.000000 0.000000 
1 1 1    2    0    7 o  318.560   16.145 41555.70  4151.53 39108.99  5868.92 44006.13  5873.37  307.311   23.851  326.652   22.386 0.000000 0.000000 
1 1 1    2    0    8 o  399.130   19.847 65234.41  6395.60 72052.18  9045.88 58420.06  9043.61  418.232   26.893  375.227   30.130 0.000000 0.000000 
1 1 1    2    0    9 o  1060.51   51.193 463303.41 43848.02 520083.00 62010.58 406524.31 62010.35  1117.81   68.922  982.569   78.896 0.000000 0.000000 
1 1 1    2    0   10 o  642.973   31.222 169575.20 16212.73 185713.59 22930.99 153444.50 22925.54  670.315   42.524  607.134   47.159 0.000000 0.000000 
1 1 1    2    0   11 o  1052.75   51.026 458973.19 43383.40 500536.50 61358.14 417422.81 61348.66  1090.58   69.951  990.675   77.351 0.000000 0.000000 
1 1 1    2    0   12 o   54.021   19.030  1558.35  757.804  1558.35  757.804   0.0000   0.0000   54.021   19.030   54.021   19.030 0.000000 0.000000 
1 1 1    2    0   13 o  286.976   15.050 33786.75  3484.75 33466.59  4942.31 34103.27  4914.18  283.981   21.726  286.815   21.374 0.000000 0.000000 
1 1 1    2    0   14 o  510.577   25.167 107391.80 10375.89 114622.30 14696.15 100205.20 14651.41  524.223   34.881  488.649   37.432 0.000000 0.000000 
1 1 1    2    0   15 o  324.356   16.825 43223.36  4403.96 42475.61  6258.19 43956.91  6198.51  319.387   24.462  325.226   23.764 0.000000 0.000000 
1 1 1    2    0   16 o  334.094   17.346 45905.89  4676.50 46085.10  6657.91 45731.38  6570.12  332.458   24.989  331.244   24.745 0.000000 0.000000 
1 1 1    2    0   17 o  234.117   13.270 22543.89  2504.03 22004.99  3600.92 23048.49  3484.41  229.467   19.659  235.332   18.498 0.000000 0.000000 
1 1 1    2    0   18 o  351.577   18.287 51028.37  5188.02 51507.35  7423.58 50571.12  7253.31  350.090   26.463  347.012   26.081 0.000000 0.000000 
1 1 1    2    0   19 o  166.476   11.723 11478.78  1566.63 14886.61  2490.41  9247.07  2015.35  188.340   16.581  147.044   17.539 0.000000 0.000000 
1 1 1    2    0   20 o   67.904   17.203  2220.43  820.165  2703.97  1829.20  2098.75  917.568   66.005   30.721   63.552   20.199 0.000000 0.000000 
1 1 1    2    0   21 o   31.593   17.464  575.419  654.526  3358.86  1806.53  154.826  702.238   75.456   30.310   25.718   16.143 0.000000 0.000000 
1 1 1    2    0   22 o   17.056   11.984 -689.6232  640.135 -2084.5039  1496.90 -377.4408  708.154   24.103   17.193   20.506   13.950 0.000000 0.000000 
1 1 1    2    0   23 o  186.374   13.596 14643.24  2032.24 17268.22  3456.32 13256.21  2512.43  196.965   22.355  174.578   18.175 0.000000 0.000000 
1 1 1    2    0   24 o   90.287   16.828  3758.53  1107.92  5132.13  2650.20  3467.63  1219.60   87.802   36.927   83.706   20.732 0.000000 0.000000 
1 1 1    2    0   25 o   24.291   16.014 -83.6895  810.088   0.0000   0.0000 -83.6895  810.088   24.291   16.014   24.291   16.014 0.000000 0.000000 
1 1 1    2    0   26 o   29.554   18.299  392.491  871.353   0.0000   0.0000  392.491  871.353   29.554   18.299   29.554   18.299 0.000000 0.000000 
1 1 1    2    2    2 o  410.655   14.141 68740.55  4715.16 69244.45  6667.21 68236.33  6669.28  411.337   19.962  408.307   20.117 3.030640 28.34017 
1 1 1    2    2    3 o  195.917   7.5301 15600.20  1197.87 16122.27  1696.81 15081.51  1691.29  198.786   10.550  192.213   10.881 6.572769 15.15632 
1 1 1    2    2    5 o  397.801   13.782 64402.47  4451.68 62058.48  6296.36 66745.36  6294.89  389.467   19.978  404.510   19.165 -15.04355 27.68433 
1 1 1    2    2    6 o  661.777   22.465 178632.50 12071.49 183066.80 17071.65 174198.20 17071.68  668.446   31.454  651.901   32.252 16.54468 45.05020 
1 1 1    2    2    7 o  520.470   17.778 110232.00  7513.11 110194.90 10625.53 110269.00 10624.75  519.778   25.176  519.954   25.166 -0.1756592 35.59754 
1 1 1    2    2    8 f  959.520   37.340 377090.81 29091.58 352293.31 50387.36 389490.09 35630.03  915.766   68.254  973.212   45.089 -57.44586 81.80241 
1 1 1    2    2    9 o  716.443   24.138 209118.50 14041.73 214805.50 19858.67 203432.30 19857.32  724.912   33.739  705.326   34.673 19.58655 48.37883 
1 1 1    2    2   10 f  1012.66   34.054 419736.19 28000.59 423620.41 39598.57 415851.81 39599.07  1013.24   48.131  1003.76   48.587 9.487183 68.39075 
1 1 1    2    2   11 o  403.991   13.996 66398.84  4590.96 70156.80  6493.10 62642.03  6492.11  414.877   19.275  391.398   20.499 23.47870 28.13811 
1 1 1    2    2   12 o  617.797   30.091 157291.91 15094.58 158774.09 21350.65 155810.70 21343.28  614.576   43.058  608.586   43.478 5.990479 61.19057 
1 1 1    2    2   13 o  511.872   17.638 107078.10  7330.60 107544.40 10363.92 106611.20 10370.16  511.300   24.964  509.043   25.090 2.257080 35.39312 
1 1 1    2    2   14 o  588.302   20.238 141936.80  9667.39 144319.41 13668.91 139552.09 13674.60  590.303   28.518  579.534   29.153 10.76904 40.78223 
1 1 1    2    2   15 o  341.573   12.270 47576.89  3403.06 48384.02  4810.50 46768.30  4814.83  343.284   17.314  337.418   17.635 5.865906 24.71402 
1 1 1    2    2   16 o  445.031   15.569 81095.75  5625.97 77302.58  7951.42 84898.27  7961.23  431.852   22.757  453.560   21.618 -21.70773 31.38760 
1 1 1    2    2   17 o  178.665   7.9360 12994.54  1151.27 13700.50  1622.27 12278.27  1634.08  182.905   10.974  173.008   11.701 9.896912 16.04211 
1 1 1    2    2   18 o  223.521   9.1128 20380.37  1653.90 20604.46  2334.19 20154.43  2343.77  223.855   12.897  221.344   13.099 2.510284 18.38234 
1 1 1    2    2   19 o  115.495   8.1057  5473.04  755.323  5463.35  1047.64  5483.54  1090.00  114.808   11.389  114.925   11.851 -0.1170654 16.43605 
1 1 1    2    2   20 f  107.980   8.1560  4800.37  709.814  5484.34  968.234  4005.68  1043.66  114.964   10.488   97.320   13.577 17.64352 17.15627 
1 1 1    2    2   21 o   75.785   10.322  2414.60  618.664  2794.41  878.156  2040.33  871.724   80.620   13.918   68.144   16.024 12.47620 21.22451 
1 1 1    2    2   22 o  190.286   9.2744 14974.16  1432.94 14911.32  2011.55 15038.90  2041.76  187.675   13.286  188.394   13.436 -0.7188873 18.89548 
1 1 1    2    2   23 o   23.155   10.891 -528.3542  525.016 -591.3351  759.750 -470.7899  726.345   28.926   13.438   29.098   13.383 -0.1727772 18.96573 
1 1 1    2    2   24 o   75.064   11.501  2446.77  678.641  2537.74  943.849  2349.41  976.468   74.363   16.098   71.010   17.133 3.353256 23.50934 
1 1 1    2    2   25 o   76.947   13.577  2689.87  817.248  2197.39  1172.95  3154.51  1139.31   65.752   20.105   80.537   17.888 -14.78561 26.91038 
1 1 1    2    2   26 o   52.079   15.111  1332.88  676.490  1543.47  902.575  1062.93  1021.90   54.658   17.762   47.803   18.497 6.855938 25.64400 
1 1 1    2    4    0 o  390.364   13.788 62102.89  4370.36 61745.63  6182.82 62459.64  6178.43  387.982   19.691  390.741   19.474 -2.759430 27.69398 
1 1 1    2    4    2 o  472.315   23.236 91519.63  8911.18 90413.83 12611.52 92622.20 12593.12  465.700   33.577  471.553   33.100 -5.853180 47.14903 
1 1 1    2    4    5 o  805.531   27.363 265628.50 17897.37 266827.59 25311.33 264429.50 25310.07  804.009   38.772  800.328   38.948 3.681274 54.95642 
1 1 1    2    4    6 o  472.737   16.120 90926.14  6187.49 90706.05  8753.61 91145.91  8747.27  471.648   22.858  472.797   22.786 -1.148621 32.27464 
1 1 1    2    4    7 o  1047.99   35.359 449773.59 30088.37 466999.31 42554.84 432553.50 42547.94  1063.55   49.278  1021.59   51.459 41.95856 71.24832 
1 1 1    2    4    8 o  457.575   18.028 85172.84  6698.02 75131.45 11592.11 90205.51  8206.62  427.398   33.676  470.703   21.472 -43.30505 39.93940 
1 1 1    2    4    9 o  511.457   17.298 106395.70  7183.51 108734.60 10159.54 104057.30 10158.50  516.594   24.221  505.320   24.758 11.27374 34.63559 
1 1 1    2    4   10 o  990.654   33.229 401765.19 26729.07 407922.81 37800.53 395607.59 37800.71  994.156   46.828  978.781   47.564 15.37531 66.74701 
1 1 1    2    4   11 o  316.493   11.257 40727.39  2892.90 39455.58  4088.75 42002.23  4093.61  310.839   16.257  321.182   15.697 -10.34271 22.59802 
1 1 1    2    4   12 o  554.938   27.104 126660.90 12212.90 130424.00 17285.02 122909.40 17258.32  558.309   38.362  541.417   39.531 16.89142 55.08500 
1 1 1    2    4   13 o  525.094   18.002 112731.00  7675.26 115021.00 10854.59 110441.10 10854.32  528.596   25.290  517.816   25.816 10.78027 36.13943 
1 1 1    2    4   14 o  223.753   8.8440 20366.15  1606.78 20933.34  2274.03 19800.66  2270.63  226.291   12.424  220.022   12.765 6.268875 17.81261 
1 1 1    2    4   15 o  136.590   6.9033  7604.64  763.146  7601.78  1075.54  7607.54  1083.00  136.292   9.7840  136.337   9.8494 -0.4530334E-01 13.88301 
1 1 1    2    4   16 o  522.816   18.136 112295.50  7698.79 111063.00 10884.82 113529.30 10890.66  516.099   26.059  522.596   25.666 -6.497192 36.57575 
1 1 1    2    4   17 o  132.142   7.2185  7126.51  771.572  6789.82  1052.82  7517.15  1134.04  128.633   10.163  135.356   10.398 -6.723068 14.53955 
1 1 1    2    4   18 o  102.704   7.2245  4316.82  598.633  4573.90  840.036  4051.54  853.308  105.371   9.9357   98.977   10.793 6.393463 14.66969 
1 1 1    2    4   19 o  107.867   8.2281  4780.49  715.219  4530.46  963.913  5086.77  1066.85  104.377   11.568  110.561   12.081 -6.183395 16.72602 
1 1 1    2    4   20 o  128.382   8.2454  6778.73  854.970  7849.39  1186.97  5624.31  1232.53  137.609   10.708  115.624   13.375 21.98496 17.13333 
1 1 1    2    4   21 o  143.139   8.5016  8450.63  983.655  8263.21  1366.14  8652.40  1417.48  140.418   12.100  143.644   12.271 -3.226715 17.23349 
1 1 1    2    4   22 o  167.285   9.1305 11604.16  1235.51 11059.35  1713.71 12193.85  1782.88  161.481   13.185  169.684   13.040 -8.203690 18.54429 
1 1 1    2    4   23 o   34.330   14.147  204.906  637.125  347.818  813.575 -21.7255  1024.53   39.548   16.106   39.305   17.120 0.2425728 23.50538 
1 1 1    2    4   24 o  106.146   9.8281  4779.79  837.441  4294.69  1140.02  5348.38  1234.22   97.994   14.788  109.923   14.157 -11.92960 20.47210 
1 1 1    2    4   25 o   27.497   12.234 -118.8558  549.505 -302.3891  680.277  225.745  932.152   28.795   13.134   38.755   16.600 -9.959942 21.16728 
1 1 1    2    4   26 o   96.104   11.596  4177.94  886.550  3713.24  1148.33  4863.59  1394.86   85.671   17.107   96.889   18.403 -11.21716 25.12632 
1 1 1    2    6    0 o  308.229   11.256 38659.88  2817.10 39127.78  3987.96 38193.85  3980.02  309.325   15.932  305.578   16.098 3.747040 22.64876 
1 1 1    2    6    1 o  606.833   29.671 151867.59 14619.69 149618.20 20672.11 154118.41 20678.63  595.846   43.017  605.115   42.354 -9.268860 60.36823 
1 1 1    2    6    2 o  827.169   59.591 295382.69 39755.07 295382.69 39755.07   0.0000   0.0000  827.169   59.591  ?   ?  0.000000 59.59076 
1 1 1    2    6    3 o  436.982   21.589 78052.77  7659.94 75955.33 10851.41 80135.87 10814.26  428.355   31.418  440.300   30.436 -11.94498 43.74299 
1 1 1    2    6    4 o  718.188   27.571 211236.91 16078.02 226204.20 27912.17 203804.70 19668.88  735.774   46.966  703.737   34.422 32.03674 58.22924 
1 1 1    2    6    5 o  225.626   8.3147 20680.30  1523.27 20385.15  2152.68 20976.29  2155.77  223.622   11.899  226.862   11.743 -3.240158 16.71770 
1 1 1    2    6    6 o  560.282   18.709 127774.10  8511.12 127592.00 12033.22 127956.50 12039.85  559.156   26.504  559.957   26.481 -0.8005371 37.46575 
1 1 1    2    6    7 o  794.848   26.573 257666.59 17149.97 265978.50 24252.02 249352.41 24255.42  805.833   37.065  780.008   38.298 25.82483 53.29655 
1 1 1    2    6    8 o  1016.38   38.625 423140.69 31875.95 422572.50 39041.25 424276.91 55206.97  1013.41   47.446  1006.35   67.961 7.067017 82.88430 
1 1 1    2    6    9 o  488.548   16.346 97068.30  6484.32 96040.27  9171.09 98095.92  9169.34  485.522   23.263  490.708   23.013 -5.186951 32.72299 
1 1 1    2    6   10 o  722.040   24.140 212739.41 14152.44 212496.91 20015.82 212981.91 20013.32  719.775   34.248  720.605   34.205 -0.8303223 48.40343 
1 1 1    2    6   11 o  107.901   6.0438  4743.95  527.382  4120.47  734.131  5408.82  758.108  100.274   9.1163  115.082   8.1661 -14.80811 12.23890 
1 1 1    2    6   12 o  322.988   13.425 42501.42  3520.87 44949.71  6149.32 41307.35  4294.47  330.254   23.077  317.682   16.707 12.57224 28.49002 
1 1 1    2    6   13 o  577.474   19.916 136608.20  9338.44 137766.91 13208.38 135450.20 13204.72  577.337   28.176  572.377   28.412 4.960266 40.01454 
1 1 1    2    6   14 o  697.860   23.942 200731.09 13566.54 196785.59 19187.55 204675.30 19184.40  684.589   34.631  699.502   33.777 -14.91302 48.37554 
1 1 1    2    6   15 o  403.472   14.285 66516.22  4679.90 65733.74  6618.64 67298.57  6618.11  399.239   20.486  404.557   20.147 -5.317993 28.73324 
1 1 1    2    6   16 o  254.904   9.8139 26475.74  2031.23 26518.40  2867.62 26432.77  2877.60  254.265   13.943  253.839   14.016 0.4257813 19.76994 
1 1 1    2    6   17 o  312.075   12.002 39805.87  3041.15 41415.53  4293.49 38185.14  4308.22  316.893   16.746  304.021   17.527 12.87289 24.24058 
1 1 1    2    6   18 o   56.183   10.788  1333.99  474.239  2379.69  632.089 -12.7232  717.317   75.564   10.593   34.168   14.597 41.39658 18.03552 
1 1 1    2    6   19 o   92.832   8.0457  3547.33  600.459  4092.54  807.814  2874.16  897.625   99.388   10.153   82.271   13.935 17.11694 17.24098 
1 1 1    2    6   20 o   77.363   8.9431  2488.50  551.414  2811.08  719.227  2028.51  858.854   81.799   11.117   68.208   15.815 13.59100 19.33148 
1 1 1    2    6   21 o  134.185   8.5226  7434.71  923.754  6089.94  1237.55  9126.71  1388.16  120.054   12.898  147.698   11.670 -27.64324 17.39372 
1 1 1    2    6   22 o  242.715   10.357 24512.12  2041.16 24075.24  2857.02 24967.58  2917.19  237.075   14.918  241.410   14.956 -4.334915 21.12408 
1 1 1    2    6   23 o  149.445   9.1761  9329.74  1108.08  9202.80  1494.19  9484.85  1651.76  146.575   12.680  148.051   13.903 -1.476364 18.81675 
1 1 1    2    6   24 o   89.230   12.219  3478.17  862.057  2985.66  1153.48  4101.28  1297.44   79.271   18.293   93.688   17.704 -14.41697 25.45709 
1 1 1    2    6   25 o   53.628   14.231  1347.75  629.940  1447.54  732.764  1065.12  1233.15   55.038   15.653   50.629   20.100 4.409573 25.47584 
1 1 1    2    6   26 f   18.517   9.1238 -940.1240  487.984 -940.1240  487.984   0.0000   0.0000   18.517   9.1238  ?   ?  0.000000 9.123803 
1 1 1    2    8    0 f  528.276   18.269 113823.90  7836.49 114846.10 11090.37 112804.50 11074.59  529.433   25.799  524.670   25.996 4.763855 36.62446 
1 1 1    2    8    1 o  197.818   11.463 15967.83  1833.27 15460.99  2592.64 16474.68  2592.62  194.089   16.611  200.463   16.063 -6.374100 23.10770 
1 1 1    2    8    2 o  612.008   29.827 153675.91 14822.00 149855.41 20978.97 157483.80 20944.02  599.393   43.399  614.970   42.199 -15.57672 60.53321 
1 1 1    2    8    3 o  399.727   19.929 65132.53  6468.28 63097.74  9160.34 67155.97  9134.78  391.499   29.023  404.147   28.010 -12.64761 40.33474 
1 1 1    2    8    4 o  813.445   39.251 272182.50 25925.13 271949.19 36692.04 272415.19 36635.35  805.708   56.443  806.462   56.300 -0.7537842 79.72141 
1 1 1    2    8    5 o  213.329   9.9607 18489.59  1725.36 14536.38  3069.08 20316.27  2086.24  187.831   20.454  223.293   11.546 -35.46135 23.48796 
1 1 1    2    8    6 o  257.637   10.755 26968.44  2249.86 30683.19  3972.03 25213.58  2730.05  274.040   17.950  248.689   13.571 25.35094 22.50302 
1 1 1    2    8    7 o  219.947   9.3422 19650.40  1668.42 16687.10  2826.46 21235.12  2066.95  201.808   17.420  228.618   11.135 -26.81094 20.67444 
1 1 1    2    8    8 o  429.013   16.750 74851.63  5834.68 79296.50  7144.69 65952.16 10109.67  441.408   19.934  400.637   31.327 40.77087 37.13163 
1 1 1    2    8    9 o  671.914   22.677 183997.59 12372.13 183229.50 17497.90 184765.59 17495.79  669.200   32.203  672.022   32.064 -2.821594 45.44317 
1 1 1    2    8   10 o  318.007   11.164 41113.76  2882.68 42361.35  4078.02 39867.77  4075.42  322.584   15.569  312.503   16.116 10.08072 22.40832 
1 1 1    2    8   11 o  182.106   8.2726 13478.90  1223.23 12758.30  1490.95 14962.76  2139.49  176.805   10.432  191.172   13.878 -14.36644 17.36123 
1 1 1    2    8   12 o  392.396   15.772 62837.87  5025.09 74333.17  8780.87 57239.77  6127.70  424.239   25.611  373.337   20.290 50.90186 32.67471 
1 1 1    2    8   13 o  306.273   10.880 38191.33  2705.66 36878.54  3820.46 39512.27  3832.31  300.092   15.734  311.105   15.171 -11.01382 21.85678 
1 1 1    2    8   14 o  172.013   7.1747 12029.96  1002.09 10272.25  1398.18 13886.50  1436.95  158.425   10.936  184.453   9.6277 -26.02835 14.57035 
1 1 1    2    8   15 o  556.189   19.164 127142.50  8654.78 122354.20 12239.07 131931.80 12240.34  541.243   27.945  563.309   26.761 -22.06567 38.69220 
1 1 1    2    8   16 o  267.594   10.200 29193.04  2216.24 28635.47  3136.88 29748.74  3131.60  264.035   14.690  269.199   14.379 -5.164093 20.55597 
1 1 1    2    8   17 o  217.063   8.9400 19206.68  1575.65 20402.38  2234.16 18023.44  2222.50  222.963   12.390  209.375   13.140 13.58812 18.05972 
1 1 1    2    8   18 o   87.054   7.7887  3114.98  544.731  3633.85  766.809  2586.37  773.973   93.698   10.246   78.408   12.583 15.29009 16.22661 
1 1 1    2    8   19 o   23.357   10.010 -16.2611  339.292  253.805  390.379 -850.2834  686.025   29.974   11.476   25.522   12.136 4.452478 16.70217 
1 1 1    2    8   20 o  200.999   8.8239 16593.23  1440.09 15502.71  2014.03 17734.04  2059.94  192.603   12.954  206.312   12.354 -13.70905 17.90011 
1 1 1    2    8   21 o  148.081   8.4969  9054.71  1017.37  7958.41  1396.39 10295.02  1485.28  137.374   12.661  156.762   11.754 -19.38762 17.27644 
1 1 1    2    8   22 o  101.195   9.0487  4272.86  735.656  4563.02  928.757  3784.27  1205.19  103.881   11.187   92.268   16.702 11.61337 20.10225 
1 1 1    2    8   23 o  126.146   9.2082  6668.63  936.652  6314.08  1219.72  7178.21  1462.28  121.111   12.587  128.192   14.292 -7.081223 19.04447 
1 1 1    2    8   24 f   36.798   12.839  545.883  471.552  917.951  528.189 -915.2573  1046.71   45.287   13.413   32.334   15.260 12.95277 20.31663 
1 1 1    2    8   25 o  102.996   11.760  4715.02  965.831  3918.34  1126.39  6927.28  1877.00   90.720   15.869  115.666   20.748 -24.94528 26.12129 
1 1 1    2    8   26 o   46.455   14.759  1069.27  625.831  1069.27  625.831   0.0000   0.0000   46.455   14.759  ?   ?  0.000000 14.75945 
1 1 1    2   10    0 o  292.110   10.919 34679.24  2589.84 33126.22  3675.05 36211.37  3650.24  284.876   15.952  297.962   15.137 -13.08627 21.99117 
1 1 1    2   10    1 o  439.365   17.746 78587.47  6330.94 76651.19 10951.44 79559.35  7758.78  431.532   31.472  441.779   21.630 -10.24692 38.18813 
1 1 1    2   10    2 o  176.615   10.725 12722.43  1530.70 13189.38  2175.60 12264.69  2154.03  179.445   15.071  172.948   15.504 6.496674 21.62189 
1 1 1    2   10    3 o  651.691   31.670 173740.00 16758.39 165288.70 23722.17 182159.80 23677.78  631.226   46.614  663.512   44.202 -32.28613 64.23943 
1 1 1    2   10    4 o  710.021   34.387 206354.09 19824.57 197008.00 28059.47 215669.20 28012.95  688.758   50.526  721.539   48.090 -32.78076 69.75343 
1 1 1    2   10    5 o  669.114   31.964 182954.80 17366.00 200586.50 24598.73 165435.80 24519.92  697.339   43.664  631.920   48.150 65.41852 65.00010 
1 1 1    2   10    6 o  433.181   21.513 76391.77  7566.66   0.0000   0.0000 76391.77  7566.66  ?   ?   433.181   21.513 0.000000 21.51281 
1 1 1    2   10    7 o  912.994   43.462 342325.31 32219.27 363229.81 45617.87 321517.50 45512.17  933.648   60.500  876.673   64.387 56.97504 88.35164 
1 1 1    2   10    8 o  977.472   38.438 391999.81 30507.43 404186.59 52933.84 385938.69 37330.91  980.139   66.913  967.211   47.535 12.92841 82.07848 
1 1 1    2   10    9 o  356.977   12.922 51822.15  3745.43 53672.73  5299.73 49975.61  5293.96  363.011   17.980  349.745   18.710 13.26654 25.94887 
1 1 1    2   10   10 o  1082.22   41.756 487773.41 36692.17 466968.59 44943.55 529355.12 63538.57  1049.77   52.897  1099.10   71.588 -49.32642 89.01091 
1 1 1    2   10   11 f  622.135   24.888 159057.41 12572.25 152608.70 21881.19 162235.50 15360.92  599.598   45.278  626.537   30.195 -26.93903 54.42255 
1 1 1    2   10   12 o  451.354   16.087 83191.66  5895.80 82462.41  8340.97 83919.85  8334.87  447.433   23.037  451.442   22.812 -4.009033 32.42071 
1 1 1    2   10   13 o  573.422   20.111 134903.50  9363.91 136911.09 13246.16 132898.09 13238.97  574.698   28.386  565.298   28.940 9.400513 40.53775 
1 1 1    2   10   14 o  574.643   20.644 135816.09  9632.18 141889.00 13625.22 129749.10 13618.69  583.822   28.743  556.810   30.236 27.01196 41.71731 
1 1 1    2   10   15 o  140.035   6.7948  7974.65  772.593  7359.93  1078.01  8623.84  1107.82  134.033   9.9769  145.205   9.4476 -11.17220 13.74025 
1 1 1    2   10   16 o  375.578   13.631 57735.14  4156.93 59750.10  5883.06 55726.02  5874.53  380.132   19.121  366.835   19.796 13.29718 27.52276 
1 1 1    2   10   17 o  160.652   7.8259 10515.59  1020.85 11144.86  1416.93  9836.42  1472.04  164.803   10.646  154.585   11.817 10.21815 15.90525 
1 1 1    2   10   18 o  126.324   7.4134  6531.92  757.068  7318.31  1081.65  5776.71  1059.99  133.300   10.068  118.128   11.184 15.17267 15.04828 
1 1 1    2   10   19 o  206.907   9.1498 17563.08  1537.19 18702.14  2154.50 16382.02  2193.85  212.189   12.561  198.108   13.723 14.08139 18.60378 
1 1 1    2   10   20 o  145.799   8.2296  8752.38  970.265  9014.35  1317.43  8441.84  1434.34  147.140   11.109  141.863   12.583 5.277161 16.78490 
1 1 1    2   10   21 f  175.901   8.8669 12798.13  1262.35 12397.61  1726.89 13257.74  1849.92  171.576   12.481  177.217   12.946 -5.641403 17.98251 
1 1 1    2   10   22 o   34.817   12.227  460.832  428.030  544.377  479.704  134.513  948.053   37.363   12.954   39.597   16.845 -2.233906 21.25005 
1 1 1    2   10   23 o   44.584   12.319  876.836  460.789  1054.62  515.991  176.764  1023.92   48.699   12.859   40.811   17.437 7.888103 21.66599 
1 1 1    2   10   24 o   44.974   12.540  910.700  475.134  1076.30  520.654   85.969  1161.93   48.699   12.945   41.231   18.088 7.468052 22.24293 
1 1 1    2   10   25 o   18.939   9.0476 -474.4265  390.669 -515.8257  414.720 -148.2464  1164.09   19.372   9.2729   38.154   17.316 -18.78214 19.64293 
1 1 1    2   12    0 o  413.935   20.892 69947.91  6999.21   0.0000   0.0000 69947.91  6999.21  ?   ?   413.935   20.892 0.000000 20.89217 
1 1 1    2   12    1 o  895.239   35.032 328098.09 25465.05 310350.31 44100.71 336975.69 31190.33  860.398   63.576  905.521   42.421 -45.12299 76.42969 
1 1 1    2   12    2 o  703.686   34.106 202577.59 19487.22 195045.20 27575.49 210092.09 27542.73  685.794   49.863  712.453   47.890 -26.65912 69.13540 
1 1 1    2   12    3 o  476.857   23.352 92636.70  9041.74 102806.80 12817.80 82563.91 12756.32  500.642   31.695  447.828   35.369 52.81491 47.49286 
1 1 1    2   12    4 o  1188.97   83.859 600815.88 80439.20   0.0000   0.0000 600815.88 80439.20  ?   ?   1188.97   83.859 0.000000 83.85925 
1 1 1    2   12    5 f  309.210   16.073 38980.71  4021.53 41248.34  5731.84 36782.22  5643.78  317.495   22.377  299.610   23.385 17.88519 32.36633 
1 1 1    2   12    6 o  628.383   29.837 161206.70 15223.45 183753.80 21586.96 138899.30 21471.94  668.256   39.967  579.317   46.027 88.93835 60.95786 
1 1 1    2   12    7 o  832.196   30.549 283103.19 20642.72 342625.81 35899.91 253702.00 25231.04  909.456   48.793  784.977   39.715 124.4783 62.91330 
1 1 1    2   12    8 o  732.951   26.747 219666.70 15917.71 282691.91 27718.68 188656.20 19443.30  827.418   41.258  676.515   35.520 150.9034 54.44190 
1 1 1    2   12    9 o  631.931   26.047 163694.70 13364.67 145039.20 23289.71 172854.00 16319.00  585.712   49.433  648.073   31.012 -62.36121 58.35571 
1 1 1    2   12   10 o  301.625   12.885 37051.56  3155.68 35532.98  5607.65 37755.35  3817.53  293.351   23.746  303.870   15.524 -10.51917 28.37056 
1 1 1    2   12   11 o  146.939   8.2465  8806.23  979.914  7118.62  1833.30  9481.22  1159.44  130.803   17.717  152.382   9.4169 -21.57944 20.06457 
1 1 1    2   12   12 o  110.555   6.1300  4982.02  548.118  4757.96  762.949  5221.02  787.968  107.797   8.7933  112.968   8.6563 -5.170822 12.33912 
1 1 1    2   12   13 o  388.713   13.340 61658.26  4210.46 60196.33  5963.88 63111.03  5945.13  382.551   19.262  392.308   18.664 -9.757050 26.82062 
1 1 1    2   12   14 o  176.972   6.9334 12735.78  996.306 11343.31  1405.20 14143.38  1412.81  166.522   10.446  186.136   9.3780 -19.61443 14.03772 
1 1 1    2   12   15 o  408.272   13.735 68184.22  4553.34 65708.23  6446.32 70649.60  6432.48  399.148   19.890  414.127   19.130 -14.97919 27.59646 
1 1 1    2   12   16 o  209.606   8.6526 17903.60  1472.60 19424.76  2088.28 16398.94  2076.92  217.655   11.861  199.748   12.874 17.90697 17.50509 
1 1 1    2   12   17 o  296.123   10.618 35883.80  2553.02 37387.14  3636.97 34423.41  3584.63  301.119   14.875  288.403   15.363 12.71582 21.38437 
1 1 1    2   12   18 o   40.095   10.058  685.200  326.886  901.404  364.894 -193.4385  735.597   46.001   10.050   32.473   14.314 13.52835 17.49022 
1 1 1    2   12   19 o   73.264   7.9965  2224.22  467.971  2060.88  578.125  2534.64  796.992   69.967   10.500   77.061   13.213 -7.094254 16.87721 
1 1 1    2   12   20 o   38.118   10.095  622.049  317.402  678.958  342.065  269.536  851.344   39.785   10.453   39.824   16.376 -0.3876877E-01 19.42765 
1 1 1    2   12   21 o  150.344   8.9933  9377.83  1092.81  9353.18  1442.03  9411.09  1674.93  148.900   12.030  148.353   14.073 0.5477905 18.51416 
1 1 1    2   12   22 o   44.144   11.762  852.135  429.172  875.644  465.421  718.606  1109.21   44.733   12.389   48.206   19.087 -3.472466 22.75487 
1 1 1    2   12   23 o   47.056   13.091  989.060  518.445  1131.12  584.826  467.669  1120.39   50.108   13.891   44.848   18.645 5.260384 23.25092 
1 1 1    2   12   24 o   59.330   21.870  1751.61  1388.81   0.0000   0.0000  1751.61  1388.81  ?   ?    59.330   21.870 0.000000 21.87008 
1 1 1    2   12   25 o   50.813   12.229  1206.61  498.461  1356.70  534.360  200.831  1383.29   53.817   12.472   42.621   19.153 11.19573 22.85577 
1 1 1    2   14    0 o  983.190   47.438 397700.81 37870.38   0.0000   0.0000 397700.81 37870.38  ?   ?   983.190   47.438 0.000000 47.43775 
1 1 1    2   14    1 o  720.607   35.161 212363.41 20572.96   0.0000   0.0000 212363.41 20572.96  ?   ?   720.607   35.161 0.000000 35.16088 
1 1 1    2   14    2 o  739.506   51.525 226550.70 30745.18   0.0000   0.0000 226550.70 30745.18  ?   ?   739.506   51.525 0.000000 51.52514 
1 1 1    2   14    3 o  120.326   9.6555  5919.12  935.405  6349.46  1372.52  5545.88  1278.23  124.220   13.843  115.989   13.846 8.230942 19.57928 
1 1 1    2   14    4 o  520.476   25.573 110431.00 10807.30 112118.40 15332.24 108764.90 15235.86  522.109   36.394  514.141   36.738 7.967041 51.71283 
1 1 1    2   14    5 o  746.051   35.892 227988.00 21742.48 239882.91 30799.18 216171.09 30698.09  760.498   50.159  720.935   52.809 39.56366 72.83359 
1 1 1    2   14    6 o  772.607   36.830 245095.41 23104.43 270195.00 32740.28 220196.30 32609.30  805.836   50.289  725.077   55.817 80.75958 75.13026 
1 1 1    2   14    7 o  1397.74   59.151 824281.69 67131.24 791699.19 116454.60 840497.69 82155.27  1306.57  110.815  1396.49   72.705 -89.91602 132.5364 
1 1 1    2   14    8 o  555.562   22.862 126294.50 10312.91 121113.30 18047.52 128806.60 12566.76  537.705   41.662  560.050   27.635 -22.34540 49.99398 
1 1 1    2   14    9 o  684.403   25.208 192476.50 14008.58 229052.41 24455.95 174615.09 17090.12  738.350   40.953  649.332   32.415 89.01837 52.22914 
1 1 1    2   14   10 o  236.027   10.691 22672.73  2048.82 22336.53  3750.62 22815.72  2446.01  232.710   20.045  236.301   12.796 -3.590912 23.78118 
1 1 1    2   14   11 o  920.159   37.504 355536.31 28020.97 341316.69 48733.07 362559.50 34248.71  864.835   69.999  921.761   45.760 -56.92615 83.62943 
1 1 1    2   14   12 o  279.358   12.196 31814.98  2766.34 33056.52  5018.45 31273.05  3315.56  282.614   22.044  276.305   14.833 6.308929 26.56949 
1 1 1    2   14   13 o  282.696   12.402 32606.79  2846.68 32919.73  5145.70 32468.78  3417.22  281.545   22.702  281.381   15.011 0.1642761 27.21609 
1 1 1    2   14   14 o  464.496   19.489 88857.66  7350.21 79931.93 12970.71 93079.74  8920.81  431.026   37.433  474.008   23.178 -42.98163 44.02807 
1 1 1    2   14   15 o  159.660   7.0898 10372.84  919.111  9442.00  1274.26 11382.29  1326.97  151.776   10.403  166.784   9.8423 -15.00807 14.32087 
1 1 1    2   14   16 o  237.740   9.8556 23081.87  1902.50 25930.60  2709.13 20309.98  2672.34  251.029   13.339  221.686   14.933 29.34294 20.02330 
1 1 1    2   14   17 o  195.809   8.3918 15664.04  1334.22 17520.16  1920.52 13932.53  1854.93  206.205   11.516  183.557   12.520 22.64772 17.01143 
1 1 1    2   14   18 o   86.205   7.5551  3061.27  523.488  2876.38  657.089  3382.52  866.123   83.092   9.9364   89.668   12.214 -6.576660 15.74515 
1 1 1    2   14   19 o  110.019   7.3892  4978.88  656.262  4771.15  858.662  5270.65  1017.65  107.110   9.9883  112.258   11.319 -5.148216 15.09594 
1 1 1    2   14   20 f   92.321   8.6563  3542.12  641.315  2819.03  752.749  5456.55  1224.82   81.441   11.721  113.110   13.609 -31.66900 17.96087 
1 1 1    2   14   21 f  197.947   9.7383 16294.52  1565.20 16876.86  2195.64 15692.82  2231.85  198.766   13.688  191.066   14.494 7.699356 19.93584 
1 1 1    2   14   22 o   82.959   16.849  3140.99  1096.21  6108.58  2855.00  2627.84  1187.21  104.234   31.256   74.561   19.418 29.67310 36.79625 
1 1 1    2   14   23 o   81.692   9.8692  2861.22  641.371  2934.61  714.291  2555.80  1457.09   82.251   10.969   70.614   22.530 11.63761 25.05812 
1 1 1    2   14   24 o   80.705   10.074  2844.00  645.753  2669.96  712.449  3645.17  1528.58   77.235   11.729   81.203   22.438 -3.968002 25.31873 
1 1 1    2   14   25 o   39.057   12.630  710.608  456.728  710.608  456.728   0.0000   0.0000   39.057   12.630  ?   ?  0.000000 12.62992 
1 1 1    2   16    0 o  252.185   14.357 25938.96  2927.66   0.0000   0.0000 25938.96  2927.66  ?   ?   252.185   14.357 0.000000 14.35701 
1 1 1    2   16    1 o  777.197   30.772 246818.80 19418.91 226022.80 33657.39 257195.59 23775.14  736.025   56.756  792.238   36.960 -56.21283 67.72974 
1 1 1    2   16    2 o  212.227   10.538 18300.14  1815.86 18378.85  3158.96 18261.29  2219.14  211.700   18.565  211.561   12.981 0.1389465 22.65319 
1 1 1    2   16    3 o  282.163   15.488 32480.27  3534.91 31854.52  5051.91 33080.54  4947.95  278.663   22.520  284.122   21.610 -5.458801 31.21099 
1 1 1    2   16    4 o  1428.66   70.079 865196.00 81293.41 913336.12 115025.40 817154.62 114907.20  1435.12   99.322  1349.70  105.695 85.41516 145.0390 
1 1 1    2   16    5 o  588.224   28.695 141746.30 13705.06 149983.91 19456.98 133634.59 19307.64  601.251   40.085  566.702   42.264 34.54926 58.24966 
1 1 1    2   16    6 o  762.972   36.994 240805.50 22917.99 253525.00 32492.39 228212.80 32330.10  774.354   51.979  732.943   54.719 41.41064 75.47221 
1 1 1    2   16    7 o  225.284   12.451 20722.25  2268.67 21294.43  3471.55 20295.75  2997.22  227.547   18.962  222.436   16.717 5.111862 25.27896 
1 1 1    2   16    8 o  548.157   20.628 123031.50  9181.28 135001.80 16136.67 117301.30 11164.58  568.644   35.121  533.977   25.750 34.66687 43.54946 
1 1 1    2   16    9 o  588.388   24.452 142408.70 11681.90 134433.09 20479.71 146255.30 14222.67  561.259   45.326  594.532   29.462 -33.27295 54.05956 
1 1 1    2   16   10 o  125.976   7.8055  6477.31  794.482  7346.55  1677.12  6225.80  902.126  133.192   15.817  123.379   9.0687 9.812782 18.23227 
1 1 1    2   16   11 o  571.783   23.283 134736.00 10809.57 129477.90 18987.89 137257.09 13148.12  549.402   42.905  575.133   28.155 -25.73120 51.31805 
1 1 1    2   16   12 o  434.005   17.652 77232.97  6220.53 82025.74 11063.52 75017.41  7522.13  441.749   31.042  426.097   21.815 15.65207 37.94049 
1 1 1    2   16   13 o  227.081   10.805 21025.29  1992.25 20965.63  3794.81 21047.99  2340.77  224.472   21.067  226.656   12.771 -2.184158 24.63557 
1 1 1    2   16   14 o  124.480   8.4918  6339.67  853.173 10360.86  1946.21  5383.07  949.245  158.220   15.342  114.423   10.328 43.79683 18.49467 
1 1 1    2   16   15 o  124.139   9.0513  6318.06  906.058  3708.28  2064.17  6940.90  1008.40   92.527   26.257  130.067   9.6165 -37.54044 27.96250 
1 1 1    2   16   16 o  354.838   15.205 52061.30  4380.81 56218.89  8060.94 50318.68  5218.77  360.320   27.766  346.838   18.599 13.48209 33.41995 
1 1 1    2   16   17 o  147.332   10.118  8954.82  1203.04 10137.24  2785.42  8683.67  1333.87  152.001   23.313  144.753   11.442 7.247101 25.96926 
1 1 1    2   16   18 o  157.901   10.384 10324.21  1323.86  8919.72  2886.05 10698.48  1489.84  139.541   26.440  160.393   11.516 -20.85210 28.83910 
1 1 1    2   16   19 o   96.266   12.605  3931.70  961.615  3466.28  2556.81  4008.38  1037.81   86.485   29.911   96.896   13.563 -10.41138 32.84238 
1 1 1    2   16   20 o  134.296   12.131  7624.77  1308.51  8140.75  3344.90  7531.54  1421.82  124.788   32.639  132.916   13.355 -8.128075 35.26599 
1 1 1    2   16   21 o   39.156   17.118 -51.5276  1032.52  3234.63  2418.19 -784.2194  1141.84   80.433   28.977   35.587   16.513 44.84663 33.35180 
1 1 1    2   16   22 o   48.049   20.129  539.364  1320.06  970.595  2763.75  411.907  1502.53   63.115   27.788   49.056   21.046 14.05906 34.85781 
1 1 1    2   16   23 o   47.306   11.741  1009.05  448.875  753.971  487.564  2427.63  1149.80   41.217   13.020   69.373   19.565 -28.15547 23.50171 
1 1 1    2   16   24 o   42.770   12.219  848.389  445.502  742.997  462.544  2200.10  1656.49   40.248   12.678   61.181   23.585 -20.93359 26.77655 
1 1 1    2   18    0 o  305.319   16.766 38078.87  4140.43   0.0000   0.0000 38078.87  4140.43  ?   ?   305.319   16.766 0.000000 16.76562 
1 1 1    2   18    1 o  793.687   31.622 258692.50 20378.68 269206.91 35349.56 253458.70 24940.13  798.899   54.826  782.228   39.393 16.67096 67.51120 
1 1 1    2   18    2 o  902.140   35.801 335641.81 26224.75 358905.81 45442.39 324024.91 32111.64  917.380   61.360  881.349   45.022 36.03082 76.10556 
1 1 1    2   18    3 o  890.156   43.492 329959.81 31435.29 342576.59 44530.77 317427.31 44382.04  893.945   61.728  858.580   64.126 35.36493 89.00813 
1 1 1    2   18    4 o  486.034   24.029 96759.41  9483.05 110347.70 13489.63 83483.13 13333.84  516.234   32.346  447.321   37.045 68.91293 49.17855 
1 1 1    2   18    5 o  294.432   16.356 35469.16  3894.88 34250.09  5597.17 36613.68  5423.33  287.987   24.160  298.137   22.571 -10.14978 33.06225 
1 1 1    2   18    6 o  268.294   22.232 29705.22  4799.49 29705.22  4799.49   0.0000   0.0000  268.294   22.232  ?   ?  0.000000 22.23188 
1 1 1    2   18    7 o  220.977   13.419 19973.00  2396.32 20014.60  3519.86 19937.06  3271.57  220.230   19.899  220.044   18.482 0.1865234 27.15788 
1 1 1    2   18    8 o  498.691   21.777 102076.30  8818.04 90150.80 15564.34 107713.80 10701.19  460.164   42.124  510.503   25.901 -50.33859 49.44970 
1 1 1    2   18    9 o  231.197   11.857 21835.40  2218.45 15452.75  4137.44 24410.82  2628.18  191.444   27.398  244.299   13.299 -52.85551 30.45519 
1 1 1    2   18   10 o  180.015   9.3661 13224.60  1364.28 13193.25  2726.25 13235.07  1575.78  178.348   19.124  179.929   10.836 -1.581223 21.98123 
1 1 1    2   18   11 o  521.337   21.852 112054.60  9250.14 105888.10 16367.04 114948.80 11212.62  495.918   41.014  526.254   26.241 -30.33530 48.69039 
1 1 1    2   18   12 o  173.755   9.4816 12334.19  1332.64 11945.85  2658.96 12464.46  1540.02  169.223   19.721  174.495   10.924 -5.272430 22.54497 
1 1 1    2   18   13 o  549.772   22.862 125485.70 10205.51 120378.30 18069.31 127878.00 12366.88  522.699   42.955  552.211   27.581 -29.51166 51.04744 
1 1 1    2   18   14 o  155.255   9.7095  9873.78  1217.85  5946.86  2616.66 10959.62  1375.96  116.352   28.030  163.495   10.419 -47.14342 29.90345 
1 1 1    2   18   15 o  126.247   9.3698  6548.51  953.633  8362.91  2399.52  6208.17  1039.23  139.532   21.900  122.708   10.532 16.82460 24.30148 
1 1 1    2   18   16 o  116.511   9.7709  5604.67  915.823  5841.11  2687.13  5573.60  974.146  112.906   29.121  116.047   10.450 -3.141235 30.93924 
1 1 1    2   18   17 o  207.109   11.457 17780.05  1919.12 18596.65  4186.56 17562.80  2159.35  203.650   25.905  205.221   13.026 -1.570801 28.99537 
1 1 1    2   18   18 o   56.975   16.269  1414.67  789.912  3128.85  2488.51  1222.60  832.991   83.663   29.474   53.719   17.024 29.94357 34.03688 
1 1 1    2   18   19 o   73.329   19.486  2442.74  1180.01 -2273.0430  2799.33  3461.75  1301.27   52.617   24.870   87.645   18.845 -35.02739 31.20352 
1 1 1    2   18   20 o  155.796   16.888 10697.55  2102.12 11414.29  3973.20 10418.92  2477.23  144.469   34.370  150.817   20.781 -6.347794 40.16423 
1 1 1    2   18   21 o   35.389   15.490 -58.2437  847.858 -1586.4240  2602.38  123.230  896.789   50.953   24.051   38.159   16.312 12.79405 29.06109 
1 1 1    2   18   22 o   85.159   18.328  3480.87  1229.76   0.0000   0.0000  3480.87  1229.76  ?   ?    85.159   18.328 0.000000 18.32773 
1 1 1    2   18   23 o   39.440   18.097 -313.4942  1317.45   0.0000   0.0000 -313.4942  1317.45  ?   ?    39.440   18.097 0.000000 18.09690 
1 1 1    2   20    0 o  384.176   20.383 60546.73  6335.40   0.0000   0.0000 60546.73  6335.40  ?   ?   384.176   20.383 0.000000 20.38269 
1 1 1    2   20    1 o  501.235   25.770 103528.50 10452.49   0.0000   0.0000 103528.50 10452.49  ?   ?   501.235   25.770 0.000000 25.76985 
1 1 1    2   20    2 o  127.315   9.8327  6632.08  1008.59  6550.16  1801.50  6669.48  1217.24  125.334   18.237  127.447   11.900 -2.112679 21.77633 
1 1 1    2   20    3 o  539.476   28.173 120344.80 12298.06 140909.59 17316.58 99417.49 17468.59  580.171   36.952  483.292   45.034 96.87845 58.25358 
1 1 1    2   20    4 o  459.716   34.404 88367.38 12749.10 88367.38 12749.10   0.0000   0.0000  459.716   34.404  ?   ?  0.000000 34.40423 
1 1 1    2   20    5 o  386.411   20.240 61324.96  6328.21 65089.32  9069.03 57752.80  8834.47  395.963   28.396  372.552   29.445 23.41165 40.90659 
1 1 1    2   20    6 o  573.256   28.975 136348.41 13442.99 136959.50 19152.53 135755.00 18873.08  568.018   41.821  565.765   41.370 2.252441 58.82585 
1 1 1    2   20    7 o  537.836   27.444 119949.50 11945.07 118170.20 17060.01 121660.70 16730.58  527.616   40.123  536.206   38.687 -8.589478 55.73623 
1 1 1    2   20    8 o  340.356   18.546 47610.40  5105.90 46944.13  7404.12 48214.55  7050.50  335.556   27.415  340.634   25.680 -5.078613 37.56371 
1 1 1    2   20    9 o  127.996   9.0547  6700.94  934.966  3515.74  2087.09  7500.63  1045.77   91.165   26.568  135.400   9.5739 -44.23457 28.24050 
1 1 1    2   20   10 o  203.023   10.695 16845.02  1756.81 13997.31  3496.73 17806.55  2031.87  182.377   24.212  208.572   12.049 -26.19418 27.04402 
1 1 1    2   20   11 o  391.055   17.458 62811.11  5543.24 55532.95 10047.34 65995.89  6646.30  360.132   34.793  399.452   20.561 -39.31970 40.41459 
1 1 1    2   20   12 o  662.807   27.531 184374.30 14816.69 174447.41 26122.41 189082.80 17990.62  617.106   52.637  666.242   33.256 -49.13556 62.26234 
1 1 1    2   20   13 o  313.366   13.448 40266.78  3421.72 41754.17  6429.00 39678.92  4041.73  314.201   25.418  310.001   16.113 4.199646 30.09429 
1 1 1    2   20   14 o  270.032   12.296 29941.04  2696.06 33840.34  5361.81 28621.55  3119.04  281.962   23.638  263.002   14.664 18.96054 27.81695 
1 1 1    2   20   15 o  191.534   10.559 15110.03  1635.81 21180.67  3864.50 13784.88  1805.54  222.144   21.702  182.457   12.259 39.68698 24.92500 
1 1 1    2   20   16 o  236.713   12.190 23258.53  2334.96 27330.03  5052.45 22152.78  2633.01  247.961   25.456  230.124   14.160 17.83740 29.12906 
1 1 1    2   20   17 o   54.383   17.647  1238.85  891.091 -1215.9510  2306.93  1669.34  966.070   51.988   23.889   61.769   18.097 -9.781532 29.96934 
1 1 1    2   20   18 o  107.430   18.294  5113.57  1538.58  1067.70  3409.39  6148.22  1724.12   73.271   31.572  117.835   18.640 -44.56367 36.66428 
1 1 1    2   20   19 o   68.537   17.523  2128.58  978.932 -2528.2510  3427.93  2542.08  1021.47   57.248   27.194   75.079   17.134 -17.83023 32.14141 
1 1 1    2   20   20 o   75.465   17.069  2608.27  1021.39 -2827.1079  3856.42  3018.31  1059.22   58.334   28.016   81.563   16.559 -23.22835 32.54397 
1 1 1    2   20   21 o   62.760   19.224  1889.49  1071.88   0.0000   0.0000  1889.49  1071.88  ?   ?    62.760   19.224 0.000000 19.22378 
1 1 1    2   20   22 o   59.147   20.850  1765.64  1245.45   0.0000   0.0000  1765.64  1245.45  ?   ?    59.147   20.850 0.000000 20.84956 
1 1 1    2   20   23 o   56.170   22.656  1734.80  1592.61   0.0000   0.0000  1734.80  1592.61  ?   ?    56.170   22.656 0.000000 22.65642 
1 1 1    2   22    0 o  153.426   19.068  9780.05  2324.17   0.0000   0.0000  9780.05  2324.17  ?   ?   153.426   19.068 0.000000 19.06775 
1 1 1    2   22    1 o  211.693   20.166 18524.49  3424.31   0.0000   0.0000 18524.49  3424.31  ?   ?   211.693   20.166 0.000000 20.16553 
1 1 1    2   22    2 o  462.413   24.480 88254.57  9158.60 83212.70 13088.84 93091.29 12819.77  444.501   36.590  471.555   33.704 -27.05399 49.74739 
1 1 1    2   22    3 o  450.784   23.739 83832.15  8658.28 82449.30 12395.88 85149.51 12098.83  443.059   34.735  450.904   33.281 -7.845184 48.10606 
1 1 1    2   22    4 o  111.303   12.678  5114.30  1125.29  4993.85  1713.64  5205.62  1492.07  108.668   20.164  111.588   17.005 -2.920189 26.37711 
1 1 1    2   22    5 o  354.376   19.669 51655.80  5637.24 48186.73  8131.78 54865.43  7821.78  339.364   29.813  363.306   26.702 -23.94122 40.02292 
1 1 1    2   22    6 f  481.474   24.905 95992.21  9703.05 98372.23 13904.50 93733.03 13546.86  482.495   35.746  470.954   35.691 11.54114 50.51366 
1 1 1    2   22    7 o  360.906   20.069 53685.18  5857.80 50028.88  8501.53 56990.09  8082.68  344.911   30.677  369.644   27.119 -24.73279 40.94518 
1 1 1    2   22    8 f  466.081   24.311 90146.93  9168.26 91388.64 13206.95 88991.92 12737.54  463.780   35.337  458.104   34.497 5.675110 49.38393 
1 1 1    2   22    9 o  279.079   10.923 31758.06  2475.16 41083.59  4867.62 28505.87  2874.53  315.461   19.093  263.769   13.467 51.69168 23.36461 
1 1 1    2   22   10 o   47.306   10.387  948.116  388.068  2585.25  1452.59  822.290  402.705   77.968   21.992   44.052   11.226 33.91578 24.69137 
1 1 1    2   22   11 o  341.329   14.607 47782.48  4048.41 50013.24  7601.67 46899.27  4783.17  343.859   27.455  336.973   17.542 6.886536 32.58105 
1 1 1    2   22   12 o   98.114   8.8161  3957.51  694.839  4579.70  1952.74  3867.32  743.500  102.516   23.900   96.870   9.5781 5.646317 25.74776 
1 1 1    2   22   13 o  214.859   11.518 18994.33  2002.06 17482.54  4476.63 19372.30  2238.39  199.530   28.436  216.661   12.780 -17.13057 31.17611 
1 1 1    2   22   14 o  187.822   15.152 14760.77  2291.07 13810.19  4103.77 15191.21  2761.50  174.398   30.066  189.342   18.186 -14.94347 35.13816 
1 1 1    2   22   15 o  312.962   18.704 41761.87  4731.23 44485.75  7316.27 39804.05  6202.72  312.724   29.149  299.205   25.783 13.51877 38.91574 
1 1 1    2   22   16 o  149.916   10.954  9350.53  1324.14  5288.32  3522.02 10019.23  1428.98  103.726   35.127  155.046   11.431 -51.32026 36.93989 
1 1 1    2   22   17 o  174.015   11.465 12665.94  1610.81 12082.90  4059.66 12774.89  1754.87  154.428   33.352  174.294   12.483 -19.86652 35.61114 
1 1 1    2   22   18 o  214.289   12.986 19470.00  2248.80 16879.57  5554.47 19977.86  2459.39  170.299   40.720  216.273   14.082 -45.97427 43.08588 
1 1 1    2   22   19 o   47.885   17.079  921.032  838.042 -2891.2280  3299.93  1183.85  866.448   53.900   25.894   52.275   17.423 1.624573 31.20992 
1 1 1    2   22   20 o   49.042   17.482  1013.34  877.996 -1038.0980  3663.87  1138.32  904.346   60.465   28.540   51.121   17.783 9.344036 33.62684 
1 1 1    2   22   21 f   88.079   17.222  3705.31  1187.53   0.0000   0.0000  3705.31  1187.53  ?   ?    88.079   17.222 0.000000 17.22188 
1 1 1    2   22   22 o  110.842   28.163  7946.17  2539.76   0.0000   0.0000  7946.17  2539.76  ?   ?   110.842   28.163 0.000000 28.16267 
1 1 1    2   24    0 o  248.161   16.194 25289.56  3245.18   0.0000   0.0000 25289.56  3245.18  ?   ?   248.161   16.194 0.000000 16.19398 
1 1 1    2   24    1 o  130.207   14.201  7002.63  1477.04   0.0000   0.0000  7002.63  1477.04  ?   ?   130.207   14.201 0.000000 14.20097 
1 1 1    2   24    2 o  469.871   20.439 90700.90  7797.73 86887.77 13673.93 92538.53  9492.51  452.230   37.579  472.674   24.820 -20.44318 45.03584 
1 1 1    2   24    3 o  271.198   14.053 30111.80  3083.99 28500.46  5434.22 30877.32  3745.59  261.169   25.970  274.124   16.911 -12.95505 30.99071 
1 1 1    2   24    4 f  206.684   12.920 17498.50  2157.41 18204.15  3750.33 17149.48  2637.51  209.001   22.451  204.109   16.044 4.891678 27.59474 
1 1 1    2   24    5 o  261.876   16.288 28185.89  3446.18 30216.70  5103.07 26483.25  4672.59  269.437   23.563  252.249   23.069 17.18832 32.97530 
1 1 1    2   24    6 o  541.857   28.299 122790.70 12407.47 122660.60 17803.56 122913.50 17300.87  532.779   41.482  534.325   40.171 -1.545837 57.74482 
1 1 1    2   24    7 o  109.475   14.051  4979.88  1220.15  3588.72  2074.26  5715.94  1508.80   91.752   26.414  116.983   16.330 -25.23103 31.05396 
1 1 1    2   24    8 o  127.703   13.540  6743.18  1382.52  8233.56  2200.57  5771.32  1777.00  139.954   19.927  116.853   19.410 23.10072 27.81801 
1 1 1    2   24    9 o  171.853   8.9578 12066.60  1245.63 13588.42  2860.15 11710.39  1383.75  180.292   19.868  169.140   10.122 11.15123 22.29751 
1 1 1    2   24   10 o  123.267   9.5387  6235.98  947.285  517.004  2574.63  7131.39  1018.75   67.380   28.160  131.863   9.5804 -64.48260 29.74464 
1 1 1    2   24   11 o   97.284   15.620  3999.74  1192.11  5785.92  2185.72  3243.43  1422.28  115.109   24.156   86.457   20.561 28.65144 31.72119 
1 1 1    2   24   12 o  110.700   15.913  5184.86  1389.22  4843.95  2936.20  5283.19  1576.89  103.751   31.823  111.140   18.097 -7.389099 36.60885 
1 1 1    2   24   13 o   43.305   11.966  797.516  434.710  553.647  2776.98  803.642  440.136   68.047   28.886   43.476   12.050 24.57058 31.29835 
1 1 1    2   24   14 o  230.881   12.437 22169.02  2322.89 24374.68  5376.23 21662.75  2575.71  230.307   29.422  227.497   14.012 2.810303 32.58823 
1 1 1    2   24   15 o  179.828   11.315 13460.07  1643.76 13549.32  4157.48 13443.53  1789.57  167.446   31.740  179.289   12.369 -11.84363 34.06503 
1 1 1    2   24   16 o  196.987   11.753 16243.72  1871.23 15219.87  4685.22 16438.04  2041.09  172.388   34.674  197.622   12.789 -25.23389 36.95681 
1 1 1    2   24   17 o   40.426   16.147  414.943  800.329 -941.0052  3125.01  510.121  827.942   60.421   27.778   42.148   16.553 18.27310 32.33600 
1 1 1    2   24   18 o   67.220   16.962  2063.76  925.786  5937.30  3665.84  1799.88  956.800  100.222   35.723   62.672   17.908 37.55032 39.96019 
1 1 1    2   24   19 o  104.301   15.602  4894.97  1280.76  7772.43  5143.95  4704.79  1322.41  100.359   40.634  101.587   16.606 -1.228615 43.89660 
1 1 1    2   24   20 o   67.091   18.756  2219.32  1061.52   0.0000   0.0000  2219.32  1061.52  ?   ?    67.091   18.756 0.000000 18.75633 
1 1 1    2   24   21 o   42.828   17.666  601.904  994.543   0.0000   0.0000  601.904  994.543  ?   ?    42.828   17.666 0.000000 17.66571 
1 1 1    2   26    0 o  285.875   18.141 33689.23  4189.10   0.0000   0.0000 33689.23  4189.10  ?   ?   285.875   18.141 0.000000 18.14104 
1 1 1    2   26    1 o  442.446   24.332 81351.55  8707.66   0.0000   0.0000 81351.55  8707.66  ?   ?   442.446   24.332 0.000000 24.33184 
1 1 1    2   26    2 o  192.814   15.880 15329.26  2464.01   0.0000   0.0000 15329.26  2464.01  ?   ?   192.814   15.880 0.000000 15.87979 
1 1 1    2   26    3 o  306.403   15.681 38556.48  3888.22 39973.46  6910.33 37900.04  4703.40  308.259   27.911  302.907   19.223 5.351685 33.89053 
1 1 1    2   26    4 o  470.292   20.936 91296.66  7994.47 87283.66 13996.63 93239.77  9739.49  449.601   38.718  472.776   25.465 -23.17542 46.34188 
1 1 1    2   26    5 o  384.264   18.021 60731.65  5622.58 52029.53  9789.29 65015.65  6868.52  347.939   35.132  395.979   21.442 -48.03943 41.15833 
1 1 1    2   26    6 o  270.168   17.693 30159.27  3859.92 27674.41  5834.81 32092.94  5147.15  255.143   28.661  277.071   23.089 -21.92828 36.80404 
1 1 1    2   26    7 o  477.959   26.419 96134.02 10213.18 91252.59 14840.27 100526.30 14077.16  454.939   40.601  481.417   36.279 -26.47763 54.44854 
1 1 1    2   26    8 o  235.374   16.330 22930.99  3101.66 23846.89  4875.78 22308.41  4019.90  236.769   25.778  230.450   21.740 6.318588 33.72184 
1 1 1    2   26    9 o  102.634   15.806  4444.53  1274.94  5055.70  2425.67  4211.24  1498.65  106.875   27.718   99.004   19.336 7.870956 33.79627 
1 1 1    2   26   10 o  390.296   15.778 63150.64  5000.27 73578.55  9805.16 59485.61  5812.94  409.850   29.665  376.573   19.073 33.27710 35.26725 
1 1 1    2   26   11 o  315.702   15.086 41433.12  3867.24 39510.40  7956.96 42027.75  4425.02  293.338   34.040  316.377   17.291 -23.03879 38.17986 
1 1 1    2   26   12 o   66.434   9.9793  1853.13  521.669 -2420.1870  2996.50  1986.70  529.758   55.929   26.213   68.883   9.7435 -12.95483 27.96573 
1 1 1    2   26   13 o  174.159   11.464 12607.33  1612.03  8176.29  4464.75 13271.56  1728.63  125.687   39.357  178.512   11.996 -52.82515 41.14431 
1 1 1    2   26   14 o  146.326   10.670  8911.54  1258.97  8737.79  4186.42  8928.82  1320.08  128.644   37.667  146.287   11.199 -17.64333 39.29696 
1 1 1    2   26   15 o  101.204   10.930  4307.29  883.937  1400.90  3542.29  4500.28  912.813   75.677   32.386  103.436   11.039 -27.75846 34.21604 
1 1 1    2   26   16 o   58.799   16.949  1545.01  853.571  1341.59  4231.46  1553.64  871.486   77.467   34.231   58.958   17.164 18.50826 38.29269 
1 1 1    2   26   17 o   87.054   14.566  3344.89  993.196  2220.36  4782.63  3395.57  1015.33   80.545   35.944   87.615   14.799 -7.069923 38.87158 
1 1 1    2   26   18 o   73.567   16.371  2496.01  952.712 -3432.7219  5245.78  2698.23  968.823   63.611   31.044   76.713   16.069 -13.10169 34.95633 
1 1 1    2   26   19 o   34.948   15.716 -213.5204  933.405   0.0000   0.0000 -213.5204  933.405  ?   ?    34.948   15.716 0.000000 15.71608 
1 1 1    2   26   20 o   65.705   19.152  2249.58  1084.48   0.0000   0.0000  2249.58  1084.48  ?   ?    65.705   19.152 0.000000 19.15231 
1 1 1    2   28    0 o  158.789   16.877 10480.35  2142.61   0.0000   0.0000 10480.35  2142.61  ?   ?   158.789   16.877 0.000000 16.87688 
1 1 1    2   28    1 o   41.250   17.335  101.159  984.133   0.0000   0.0000  101.159  984.133  ?   ?    41.250   17.335 0.000000 17.33535 
1 1 1    2   28    2 o  262.428   18.224 28523.65  3859.13   0.0000   0.0000 28523.65  3859.13  ?   ?   262.428   18.224 0.000000 18.22393 
1 1 1    2   28    3 o  153.426   16.571  9792.59  2031.59  8902.55  3345.16 10312.71  2557.21  142.587   29.851  156.497   20.627 -13.91055 36.28427 
1 1 1    2   28    4 o  402.624   23.602 67935.08  7682.21 66515.69 11330.09 69142.91 10451.59  390.347   36.158  400.765   32.395 -10.41806 48.54754 
1 1 1    2   28    5 o  361.454   21.930 54682.73  6405.80 53352.96  9550.41 55770.23  8636.68  349.767   34.060  360.566   29.766 -10.79919 45.23428 
1 1 1    2   28    6 o  352.707   21.162 52140.15  6032.39 55842.18  9051.39 49181.85  8091.29  358.473   31.414  337.359   29.846 21.11472 43.33187 
1 1 1    2   28    7 o  140.024   16.382  8225.29  1827.35  5910.29  3156.72  9392.01  2241.00  114.399   32.473  148.983   18.955 -34.58392 37.59998 
1 1 1    2   28    8 o  232.176   17.555 22608.03  3285.06 21068.97  5317.69 23557.87  4177.53  216.965   31.073  234.844   22.170 -17.87949 38.17094 
1 1 1    2   28    9 o  346.327   20.861 51107.59  5838.89 59999.46  9082.66 44844.48  7622.74  365.383   30.904  316.495   30.022 48.88776 43.08557 
1 1 1    2   28   10 o   82.264   9.3348  2811.66  612.487  1158.20  2919.94  2887.76  626.424   72.835   30.175   83.367   9.4194 -10.53166 31.61122 
1 1 1    2   28   11 o  303.473   13.397 38350.28  3301.05 47584.10  7295.06 35972.72  3701.72  323.824   28.021  292.207   15.659 31.61697 32.09934 
1 1 1    2   28   12 f  155.117   10.380  9984.25  1299.83 12037.72  4574.65  9803.91  1355.70  153.166   37.162  153.518   10.948 -0.3523865 38.74137 
1 1 1    2   28   13 o   88.709   10.778  3310.18  760.379  2452.07  3498.50  3352.73  779.001   82.128   33.417   89.227   10.984 -7.099205 35.17579 
1 1 1    2   28   14 o  113.924   11.314  5467.80  1032.75 -3188.6089  4586.39  5930.17  1059.98   65.511   31.214  118.754   11.122 -53.24293 33.13644 
1 1 1    2   28   15 f   69.707   14.774  2154.92  810.229 -1277.6570  4456.65  2272.25  823.960   68.620   32.100   71.665   14.654 -3.044617 35.28705 
1 1 1    2   28   16 o   86.732   13.284  3285.63  905.744  3689.74  4130.35  3265.21  928.340   84.693   35.549   86.266   13.712 -1.573479 38.10178 
1 1 1    2   28   17 o   64.850   18.297  1996.54  1005.36 -450.1823  4834.20  2107.15  1027.84   68.035   32.311   66.542   18.404 1.492508 37.18449 
1 1 1    2   28   18 o  106.489   13.758  5097.66  1161.77   0.0000   0.0000  5097.66  1161.77  ?   ?   106.489   13.758 0.000000 13.75794 
1 1 1    2   28   19 o   47.706   18.013  1023.93  953.466   0.0000   0.0000  1023.93  953.466  ?   ?    47.706   18.013 0.000000 18.01273 
1 1 1    2   30    0 o  151.841   27.367 10116.01  3249.98   0.0000   0.0000 10116.01  3249.98  ?   ?   151.841   27.367 0.000000 27.36725 
1 1 1    2   30    1 o  137.814   24.837  8269.51  2677.09   0.0000   0.0000  8269.51  2677.09  ?   ?   137.814   24.837 0.000000 24.83747 
1 1 1    2   30    2 o  218.003   25.216 20445.35  4381.21   0.0000   0.0000 20445.35  4381.21  ?   ?   218.003   25.216 0.000000 25.21649 
1 1 1    2   30    3 o  309.022   21.112 40316.72  5265.66   0.0000   0.0000 40316.72  5265.66  ?   ?   309.022   21.112 0.000000 21.11214 
1 1 1    2   30    4 o  308.710   17.642 39852.28  4403.91 31962.98  7996.81 43286.45  5276.05  262.369   38.700  320.228   20.398 -57.85925 43.74605 
1 1 1    2   30    5 o  117.174   17.887  5861.83  1647.89  4811.91  3180.39  6247.14  1926.69  103.493   33.314  120.190   20.477 -16.69731 39.10368 
1 1 1    2   30    6 o  206.360   16.817 17912.13  2793.36 21965.37  5433.31 16455.88  3256.73  219.979   31.302  195.954   20.786 24.02512 37.57486 
1 1 1    2   30    7 o  153.462   17.901 10039.94  2188.67 11896.59  4761.24  9542.50  2464.50  155.777   37.985  148.239   21.068 7.538193 43.43594 
1 1 1    2   30    8 o  119.851   19.638  6260.17  1844.85  7594.65  4369.72  5970.71  2035.12  123.198   38.985  115.845   22.446 7.353157 44.98553 
1 1 1    2   30    9 o  194.894   18.974 16361.26  2964.45 17728.29  5666.24 15846.07  3478.49  187.678   38.475  189.217   23.122 -1.539078 44.88809 
1 1 1    2   30   10 o  111.586   19.226  5486.12  1679.08  3640.65  3880.39  5911.26  1862.47   92.518   35.976  115.266   20.659 -22.74792 41.48549 
1 1 1    2   30   11 o  171.132   11.015 12205.50  1522.38 10807.61  5476.31 12322.58  1584.85  136.436   43.693  171.786   11.427 -35.34926 45.16295 
1 1 1    2   30   12 o   66.073   11.218  1866.01  580.321  3824.18  4654.71  1835.10  584.884   92.877   38.253   65.455   11.420 27.42191 39.92142 
1 1 1    2   30   13 o   84.528   11.372  3040.76  760.730  2460.63  5057.54  3054.19  769.485   85.781   37.682   84.678   11.488 1.103348 39.39460 
1 1 1    2   30   14 o   47.740   14.300  996.770  597.872  2861.68  5144.59  971.239  601.950   84.957   37.632   47.226   14.395 37.73116 40.29086 
1 1 1    2   30   15 o   74.923   13.726  2488.45  804.248 10124.36  4899.63  2277.01  815.307  118.437   41.381   71.232   14.587 47.20482 43.87681 
1 1 1    2   30   16 o   81.302   14.372  2981.71  914.063  1485.28  6341.71  3013.46  923.708   75.697   36.241   81.698   14.453 -6.001274 39.01670 
1 1 1    2   30   17 o   86.398   15.123  3463.72  1022.24   0.0000   0.0000  3463.72  1022.24  ?   ?    86.398   15.123 0.000000 15.12274 
1 1 1    2   30   18 o   45.098   17.259  880.378  882.762   0.0000   0.0000  880.378  882.762  ?   ?    45.098   17.259 0.000000 17.25884 
1 1 1    2   32    0 o  427.181   42.009 89645.59 14382.78   0.0000   0.0000 89645.59 14382.78  ?   ?   427.181   42.009 0.000000 42.00930 
1 1 1    2   32    1 o  254.401   33.169 29955.95  6688.54   0.0000   0.0000 29955.95  6688.54  ?   ?   254.401   33.169 0.000000 33.16894 
1 1 1    2   32    2 o  165.501   20.522 11829.98  2698.58   0.0000   0.0000 11829.98  2698.58  ?   ?   165.501   20.522 0.000000 20.52172 
1 1 1    2   32    3 o  137.796   21.609  8314.73  2338.17   0.0000   0.0000  8314.73  2338.17  ?   ?   137.796   21.609 0.000000 21.60852 
1 1 1    2   32    4 o  277.601   21.816 33392.37  4877.83   0.0000   0.0000 33392.37  4877.83  ?   ?   277.601   21.816 0.000000 21.81626 
1 1 1    2   32    5 o  153.412   18.378 10121.46  2243.75 14112.60  5028.71  9129.38  2507.15  168.287   37.733  143.808   22.185 24.47934 43.77179 
1 1 1    2   32    6 o   78.393   23.242  2755.92  1585.37 -506.3197  4077.87  3336.78  1720.74   73.245   32.902   85.687   23.854 -12.44219 40.63897 
1 1 1    2   32    7 o  123.705   21.765  6836.65  2106.34  3981.52  4794.75  7519.40  2344.70   97.842   39.366  129.102   23.221 -31.25996 45.70414 
1 1 1    2   32    8 o   49.114   20.862  225.224  1449.97  1589.09  4798.21   88.160  1521.09   85.366   37.118   49.023   21.106 36.34354 42.69885 
1 1 1    2   32    9 o  106.425   22.443  5194.44  1878.32  4680.46  5457.14  5263.51  2000.56  100.417   41.396  106.477   23.744 -6.060272 47.72239 
1 1 1    2   32   10 o  114.005   26.089  6231.46  2362.71 12360.60  5767.38  4995.38  2590.02  141.226   44.799   99.963   29.723 41.26262 53.76244 
1 1 1    2   32   11 o   66.458   11.411  1896.99  593.565  4873.27  5506.06  1861.99  597.045   97.156   40.926   65.769   11.604 31.38705 42.53928 
1 1 1    2   32   12 o  120.584   10.342  6119.65  1002.74  5167.39  5396.21  6153.71  1020.52   95.495   40.386  120.854   10.504 -25.35852 41.73002 
1 1 1    2   32   13 o  122.287   10.470  6328.10  1029.55  6454.39  6848.08  6325.18  1041.39   96.396   43.015  122.197   10.601 -25.80099 44.30181 
1 1 1    2   32   14 o  199.029   13.347 17252.37  2144.39 19736.17  8723.88 17092.64  2212.27  126.107   52.194  197.563   13.879 -71.45623 54.00821 
1 1 1    2   32   15 o   53.501   15.235  1330.26  693.671   0.0000   0.0000  1330.26  693.671  ?   ?    53.501   15.235 0.000000 15.23470 
1 1 1    2   32   16 o   68.163   15.590  2221.19  844.075   0.0000   0.0000  2221.19  844.075  ?   ?    68.163   15.590 0.000000 15.58952 
1 1 1    2   32   17 o   53.694   17.418  1474.42  868.121   0.0000   0.0000  1474.42  868.121  ?   ?    53.694   17.418 0.000000 17.41766 
1 1 1    2   34    0 o  214.999   22.692 20494.12  3901.60   0.0000   0.0000 20494.12  3901.60  ?   ?   214.999   22.692 0.000000 22.69228 
1 1 1    2   34    1 o  108.038   27.942  5528.37  2469.50   0.0000   0.0000  5528.37  2469.50  ?   ?   108.038   27.942 0.000000 27.94192 
1 1 1    2   34    2 o   98.072   28.094  4557.35  2351.83   0.0000   0.0000  4557.35  2351.83  ?   ?    98.072   28.094 0.000000 28.09436 
1 1 1    2   34    3 o  115.568   40.326  7072.21  4652.27   0.0000   0.0000  7072.21  4652.27  ?   ?   115.568   40.326 0.000000 40.32603 
1 1 1    2   34    4 o  137.476   43.991 10851.29  5551.98   0.0000   0.0000 10851.29  5551.98  ?   ?   137.476   43.991 0.000000 43.99074 
1 1 1    2   34    5 o  229.994   32.189 25836.45  5846.57 27255.24  8491.90 24557.84  8061.47  211.749   50.162  201.052   49.671 10.69691 70.59351 
1 1 1    2   34    6 o   92.582   40.653  2622.12  5881.00   0.0000   0.0000  2622.12  5881.00  ?   ?    92.582   40.653 0.000000 40.65299 
1 1 1    2   34    7 o   59.746   29.519 -8243.2803  5229.49   0.0000   0.0000 -8243.2803  5229.49  ?   ?    59.746   29.519 0.000000 29.51872 
1 1 1    2   34    8 o  125.053   52.865 12594.31  9239.97   0.0000   0.0000 12594.31  9239.97  ?   ?   125.053   52.865 0.000000 52.86500 
1 1 1    2   34    9 o  211.197   26.257 21475.45  4405.51   0.0000   0.0000 21475.45  4405.51  ?   ?   211.197   26.257 0.000000 26.25714 
1 1 1    2   34   10 o   82.270   28.183  3416.55  2267.40   0.0000   0.0000  3416.55  2267.40  ?   ?    82.270   28.183 0.000000 28.18254 
1 1 1    2   34   11 o   80.982   10.304  2794.43  662.214   0.0000   0.0000  2794.43  662.214  ?   ?    80.982   10.304 0.000000 10.30438 
1 1 1    2   34   12 o  158.092   11.807 10736.59  1504.65   0.0000   0.0000 10736.59  1504.65  ?   ?   158.092   11.807 0.000000 11.80677 
1 1 1    2   34   13 o   28.924   11.805  171.659  438.243   0.0000   0.0000  171.659  438.243  ?   ?    28.924   11.805 0.000000 11.80455 
1 1 1    2   34   14 o  141.782   12.527  8915.18  1427.31   0.0000   0.0000  8915.18  1427.31  ?   ?   141.782   12.527 0.000000 12.52710 
1 1 1    2   34   15 o   39.175   14.811  614.717  645.140   0.0000   0.0000  614.717  645.140  ?   ?    39.175   14.811 0.000000 14.81070 
1 1 1    2   36    0 o   79.290   29.367  2809.67  2509.79   0.0000   0.0000  2809.67  2509.79  ?   ?    79.290   29.367 0.000000 29.36650 
1 1 1    2   36    1 o  144.437   28.019 10124.52  3167.43   0.0000   0.0000 10124.52  3167.43  ?   ?   144.437   28.019 0.000000 28.01871 
1 1 1    2   36    2 o  258.699   26.041 31470.72  5395.63   0.0000   0.0000 31470.72  5395.63  ?   ?   258.699   26.041 0.000000 26.04064 
1 1 1    2   36    3 o  185.857   27.395 16614.30  4010.17   0.0000   0.0000 16614.30  4010.17  ?   ?   185.857   27.395 0.000000 27.39475 
1 1 1    2   36    4 o   56.478   25.026 -52.4839  2277.13   0.0000   0.0000 -52.4839  2277.13  ?   ?    56.478   25.026 0.000000 25.02565 
1 1 1    2   36    5 o   81.007   29.286  3146.94  2473.01   0.0000   0.0000  3146.94  2473.01  ?   ?    81.007   29.286 0.000000 29.28569 
1 1 1    2   36    6 o   64.724   26.496  1372.21  2216.25  287.521  6802.67  1501.01  2344.15   83.455   39.237   66.563   27.249 16.89176 47.77058 
1 1 1    2   36    7 o   55.460   24.192  314.554  2052.14  1596.80  6645.90  179.411  2157.58   84.746   39.496   55.679   24.531 29.06686 46.49398 
1 1 1    2   36    8 o  113.307   29.203  6853.04  2703.70 19079.83  7990.62  5272.25  2873.16  142.607   52.475   96.825   31.701 45.78135 61.30731 
1 1 1    2   36    9 o   68.677   27.088  2133.92  2226.20 -3477.8870  7575.42  2664.36  2329.03   73.446   36.141   73.364   28.044 0.8204651E-01 45.74546 
1 1 1    2   36   10 o   42.461   20.075 -1329.0800  1826.57 -3980.9290  7926.80 -1180.3770  1877.08   71.227   35.392   43.770   20.589 27.45684 40.94529 
1 1 1    2   36   11 o   79.261   10.971  2736.15  687.135  1404.61  7554.62  2747.25  689.995   74.775   36.654   79.412   10.996 -4.636856 38.26758 
1 1 1    2   36   12 o   30.867   11.845  314.211  416.481   0.0000   0.0000  314.211  416.481  ?   ?    30.867   11.845 0.000000 11.84472 
1 1 1    2   36   13 o  146.458   14.598  9989.13  1712.87   0.0000   0.0000  9989.13  1712.87  ?   ?   146.458   14.598 0.000000 14.59821 
1 1 1    2   38    0 o  210.364   31.041 23329.27  5142.74   0.0000   0.0000 23329.27  5142.74  ?   ?   210.364   31.041 0.000000 31.04084 
1 1 1    2   38    1 o  189.694   29.089 18508.11  4337.48   0.0000   0.0000 18508.11  4337.48  ?   ?   189.694   29.089 0.000000 29.08893 
1 1 1    2   38    2 o   88.338   33.321  4318.69  3260.60   0.0000   0.0000  4318.69  3260.60  ?   ?    88.338   33.321 0.000000 33.32069 
1 1 1    2   38    3 o  212.990   31.639 24416.51  5305.42   0.0000   0.0000 24416.51  5305.42  ?   ?   212.990   31.639 0.000000 31.63911 
1 1 1    2   38    4 o   82.668   32.162  3680.06  3102.60   0.0000   0.0000  3680.06  3102.60  ?   ?    82.668   32.162 0.000000 32.16244 
1 1 1    2   38    5 o   86.963   32.863  4403.76  3175.40   0.0000   0.0000  4403.76  3175.40  ?   ?    86.963   32.863 0.000000 32.86315 
1 1 1    2   38    6 o   52.574   24.341 -685.7773  2460.68   0.0000   0.0000 -685.7773  2460.68  ?   ?    52.574   24.341 0.000000 24.34095 
1 1 1    2   38    7 o  134.846   33.794 11208.21  3692.79  7406.02 11102.91 11681.13  3915.71   87.780   43.302  135.293   35.280 -47.51310 55.85480 
1 1 1    2   38    8 o   84.662   30.321  4462.50  2644.10 18335.88 10217.10  3466.66  2737.36  101.104   47.703   76.342   30.061 24.76241 56.38477 
1 1 1    2   38    9 o   58.030   25.136  1207.08  2183.75  9164.59 10399.69  840.032  2233.55   81.420   40.471   56.068   24.817 25.35260 47.47424 
1 1 1    2   38   10 o   69.422   29.171  3097.64  2786.34   0.0000   0.0000  3097.64  2786.34  ?   ?    69.422   29.171 0.000000 29.17139 
1 1 1    2   38   11 f   80.988   10.716  2912.97  687.362   0.0000   0.0000  2912.97  687.362  ?   ?    80.988   10.716 0.000000 10.71588 
1 1 1    2   40    0 o  160.349   40.645 18672.56  5298.98   0.0000   0.0000 18672.56  5298.98  ?   ?   160.349   40.645 0.000000 40.64544 
1 1 1    2   40    1 o   89.318   35.881  5888.99  3976.78   0.0000   0.0000  5888.99  3976.78  ?   ?    89.318   35.881 0.000000 35.88071 
1 1 1    2   40    2 f   93.767   36.869  6845.49  4112.26   0.0000   0.0000  6845.49  4112.26  ?   ?    93.767   36.869 0.000000 36.86935 
1 1 1    2   40    3 o  129.119   38.052 12257.59  4260.10   0.0000   0.0000 12257.59  4260.10  ?   ?   129.119   38.052 0.000000 38.05199 
1 1 1    2   40    4 o  129.762   41.338 14196.05  4906.73   0.0000   0.0000 14196.05  4906.73  ?   ?   129.762   41.338 0.000000 41.33794 
1 1 1    2   40    5 o   84.370   34.732  5715.62  3835.05   0.0000   0.0000  5715.62  3835.05  ?   ?    84.370   34.732 0.000000 34.73240 
1 1 1    2   40    6 o   52.370   25.131 -1107.1541  3088.91   0.0000   0.0000 -1107.1541  3088.91  ?   ?    52.370   25.131 0.000000 25.13096 
1 1 1    2   40    7 o   56.484   25.963  839.323  2728.12   0.0000   0.0000  839.323  2728.12  ?   ?    56.484   25.963 0.000000 25.96324 
1 1 1    2   40    8 o   58.960   27.379  1489.96  3147.63   0.0000   0.0000  1489.96  3147.63  ?   ?    58.960   27.379 0.000000 27.37902 
1 1 1    2   42    0 o   63.370   30.143  2287.43  4240.05   0.0000   0.0000  2287.43  4240.05  ?   ?    63.370   30.143 0.000000 30.14307 
1 1 1    2   42    1 o   76.328   34.750  6684.52  4734.63   0.0000   0.0000  6684.52  4734.63  ?   ?    76.328   34.750 0.000000 34.74973 
1 1 1    2   42    2 o   42.730   21.327 -4045.6670  3012.85   0.0000   0.0000 -4045.6670  3012.85  ?   ?    42.730   21.327 0.000000 21.32651 
1 1 1    2   42    3 o   75.647   34.885  7383.74  4981.11   0.0000   0.0000  7383.74  4981.11  ?   ?    75.647   34.885 0.000000 34.88504 
1 1 1    3    1    0 o  298.546   15.549 36465.44  3756.28 37846.26  5315.43 35088.00  5308.94  303.069   21.745  291.583   22.600 11.48593 31.36245 
1 1 1    3    1    2 o  119.724   5.4647  5822.86  531.233  6064.43  753.518  5584.15  749.056  121.907   7.6513  116.936   7.9361 4.971046 11.02377 
1 1 1    3    1    5 o  577.743   19.656 136197.50  9220.66 140611.80 13041.88 131785.70 13038.07  585.638   27.427  566.775   28.331 18.86292 39.43193 
1 1 1    3    1    6 o  555.742   18.919 125808.50  8537.04 123939.30 12074.47 127676.90 12071.93  550.644   27.006  558.942   26.599 -8.297974 37.90577 
1 1 1    3    1    7 o  306.644   10.903 38208.31  2714.63 38888.18  3840.37 37529.36  3837.77  309.230   15.295  303.367   15.633 5.863098 21.87105 
1 1 1    3    1    8 o  1118.83   37.723 512794.00 34269.97 512218.00 48465.64 513370.00 48464.48  1113.13   53.623  1114.41   53.560 -1.274292 75.78961 
1 1 1    3    1    9 o  364.019   12.731 53848.85  3762.85 52760.25  5320.33 54938.38  5322.60  359.674   18.278  367.511   17.837 -7.837585 25.53868 
1 1 1    3    1   10 o  561.128   19.107 128156.50  8705.63 129824.40 12311.27 126488.40 12311.98  564.065   26.880  556.734   27.236 7.331482 38.26682 
1 1 1    3    1   11 o  504.552   17.286 103680.10  7081.58 104094.30 10014.56 103265.80 10015.17  504.764   24.435  502.738   24.535 2.025940 34.62648 
1 1 1    3    1   12 o  258.233   13.742 27233.48  2871.02 28331.12  4054.09 26129.16  4066.41  262.687   19.139  252.078   20.032 10.60883 27.70545 
1 1 1    3    1   13 o  508.061   17.519 105475.00  7226.98 102360.10 10218.31 108592.60 10222.67  498.133   25.347  513.935   24.497 -15.80188 35.25055 
1 1 1    3    1   14 o  547.497   18.851 122758.20  8380.38 118774.40 11850.06 126744.10 11853.25  535.325   27.354  554.031   26.349 -18.70667 37.98028 
1 1 1    3    1   15 o  308.750   11.292 38844.96  2830.88 39546.75  4005.10 38144.32  4001.84  310.557   15.937  304.931   16.221 5.626343 22.74004 
1 1 1    3    1   16 o  650.229   22.281 174638.59 11763.63 174287.59 16635.20 174989.70 16637.38  643.872   31.819  645.210   31.757 -1.338379 44.95551 
1 1 1    3    1   17 o  271.667   10.367 30100.00  2286.74 29311.29  3235.09 30887.59  3232.79  267.014   14.982  274.212   14.572 -7.198212 20.89978 
1 1 1    3    1   18 o  146.188   7.4206  8725.73  877.940  8561.26  1237.68  8892.30  1245.54  144.367   10.633  147.170   10.492 -2.802414 14.93815 
1 1 1    3    1   19 o  293.064   11.011 35237.63  2620.08 37803.18  3714.71 32697.73  3696.08  301.755   15.210  280.113   16.321 21.64200 22.30993 
1 1 1    3    1   20 o  144.478   8.4101  8578.69  982.329  9380.26  1362.19  7710.18  1417.93  150.403   11.235  135.773   13.022 14.63074 17.19875 
1 1 1    3    1   21 o   27.718   11.604   64.757  438.285 -178.1212  562.742  439.242  698.767   27.985   12.419   39.396   15.281 -11.41118 19.69099 
1 1 1    3    1   22 o  177.348   9.2702 13037.92  1330.28 13775.02  1902.84 12333.28  1860.47  180.500   13.072  170.493   13.551 10.00670 18.82831 
1 1 1    3    1   23 o  115.868   9.2383  5612.62  861.922  5243.98  1191.81  6016.84  1248.01  110.144   13.616  118.270   13.222 -8.126129 18.97975 
1 1 1    3    1   24 o   65.862   12.777  1920.73  658.649  929.266  911.977  3001.74  952.269   48.192   17.729   81.695   14.905 -33.50252 23.16170 
1 1 1    3    1   25 o   80.934   12.488  2922.60  794.257  2426.40  1097.16  3468.98  1151.29   69.803   18.895   85.099   17.252 -15.29579 25.58675 
1 1 1    3    1   26 o   55.200   15.126  1498.00  698.076  1367.68  961.899  1643.02  1014.67   51.865   18.319   55.838   18.854 -3.972885 26.28798 
1 1 1    3    3    0 o  349.235   12.480 49676.40  3538.97 49875.78  5006.33 49477.26  5003.38  348.921   17.729  347.509   17.792 1.411804 25.11700 
1 1 1    3    3    1 o  534.743   26.210 117727.60 11380.21 120712.00 16098.86 114746.70 16089.24  536.546   37.182  522.608   38.180 13.93774 53.29393 
1 1 1    3    3    3 o  303.798   10.996 37553.50  2712.42 38356.70  3834.64 36749.21  3837.23  306.310   15.468  299.757   15.822 6.552460 22.12651 
1 1 1    3    3    4 o  650.175   22.098 172922.91 11666.14 174906.91 16501.92 170940.50 16494.91  651.463   31.197  643.925   31.548 7.537964 44.36799 
1 1 1    3    3    5 o  394.500   13.696 63323.10  4387.11 65106.75  6207.42 61543.02  6201.21  399.599   19.132  387.958   19.751 11.64069 27.49767 
1 1 1    3    3    6 o  864.015   29.227 305314.41 20504.50 299764.69 28999.50 310862.81 28995.99  852.839   41.878  868.720   41.107 -15.88037 58.68201 
1 1 1    3    3    7 o  429.378   14.825 74966.04  5168.63 75903.78  7310.28 74028.70  7308.80  431.727   20.854  426.345   21.113 5.382233 29.67550 
1 1 1    3    3    8 o  859.981   33.425 302326.91 23339.71 280384.09 40418.53 313304.00 28587.68  819.485   61.185  874.099   40.279 -54.61444 73.25303 
1 1 1    3    3    9 o  897.555   30.129 328857.69 21957.44 329091.31 31052.74 328624.19 31052.27  895.408   42.711  894.766   42.741 0.6426392 60.42382 
1 1 1    3    3   10 o  571.805   19.374 133106.30  8994.96 131776.80 12720.95 134435.59 12720.63  568.142   27.576  573.877   27.299 -5.734802 38.80288 
1 1 1    3    3   11 o  182.607   7.4276 13546.12  1101.30 13332.20  1557.19 13760.18  1557.74  180.786   10.655  183.689   10.488 -2.902374 14.95076 
1 1 1    3    3   12 o  175.483   10.725 12573.45  1520.79 10380.17  2163.88 14714.17  2137.79  158.598   17.072  189.545   13.989 -30.94724 22.07189 
1 1 1    3    3   13 o  520.481   17.897 110738.00  7563.33 110619.30 10695.30 110856.90 10697.02  518.405   25.409  518.968   25.385 -0.5629883 35.91701 
1 1 1    3    3   14 o  249.083   9.4787 25244.84  1917.03 24081.07  2704.60 26419.85  2717.64  242.584   13.788  254.206   13.212 -11.62218 19.09612 
1 1 1    3    3   15 o  194.778   8.1231 15432.64  1284.69 16332.93  1806.79 14512.07  1827.03  199.896   11.177  188.283   12.013 11.61217 16.40849 
1 1 1    3    3   16 o  560.831   19.458 129420.50  8860.89 128762.30 12528.77 130079.30 12533.61  555.574   27.773  558.480   27.640 -2.905945 39.18293 
1 1 1    3    3   17 o  380.373   13.759 59222.97  4249.61 58452.50  6005.47 59995.71  6014.26  375.775   19.752  380.803   19.517 -5.027649 27.76751 
1 1 1    3    3   18 o   83.416   7.7314  2858.92  517.704  2657.91  721.113  3072.71  743.698   79.811   11.456   86.028   10.891 -6.216827 15.80667 
1 1 1    3    3   19 o  215.863   9.1455 19060.71  1602.96 19065.50  2240.73 19055.68  2294.07  214.722   12.912  214.569   13.232 0.1534119 18.48810 
1 1 1    3    3   20 o   86.236   8.7758  3079.90  605.925  2972.20  812.747  3214.67  909.148   83.909   12.294   87.068   13.280 -3.158485 18.09706 
1 1 1    3    3   21 o   17.687   8.5544 -601.9118  374.950 -495.5938  449.976 -843.4170  678.186   21.225   10.013   25.243   12.021 -4.017651 15.64482 
1 1 1    3    3   22 o  214.523   9.9375 19086.40  1730.98 18088.02  2438.06 20101.20  2458.02  205.837   14.684  217.520   13.991 -11.68259 20.28230 
1 1 1    3    3   23 o   59.269   13.081  1548.03  612.686  1581.12  812.913  1504.50  932.228   59.209   16.364   57.921   17.959 1.288212 24.29601 
1 1 1    3    3   24 o  110.730   9.6156  5185.97  855.948  5480.73  1157.76  4830.64  1271.16  112.086   12.960  103.594   15.596 8.491585 20.27784 
1 1 1    3    3   25 o   35.563   14.030  394.930  597.331  254.247  768.430  609.738  949.530   36.504   15.328   43.292   17.483 -6.787964 23.25087 
1 1 1    3    3   26 o  136.459   11.548  8362.85  1267.50  8972.22  1718.71  7636.29  1876.73  135.854   15.881  119.907   19.979 15.94658 25.52168 
1 1 1    3    5    0 o  485.553   16.858 96250.02  6646.32 97672.34  9402.80 94829.80  9395.83  487.798   23.740  479.962   24.187 7.836151 33.89116 
1 1 1    3    5    3 o  567.787   22.432 131937.80 10341.91 129721.40 17978.39 133033.80 12643.16  556.828   40.031  569.030   27.364 -12.20172 48.49016 
1 1 1    3    5    4 o  798.714   31.427 262312.09 20381.48 262930.31 35345.79 262004.20 24946.59  787.377   55.644  795.686   38.613 -8.308899 67.72928 
1 1 1    3    5    5 o  604.763   20.738 149107.30 10183.41 150857.50 14397.92 147355.50 14405.11  607.053   29.210  599.904   29.573 7.149414 41.56686 
1 1 1    3    5    6 o  338.731   11.800 46632.63  3245.54 45781.84  4589.65 47483.59  4590.13  335.009   16.928  341.628   16.548 -6.619324 23.67200 
1 1 1    3    5    7 o  1046.40   35.048 448171.00 29778.53 465698.09 42115.29 430647.19 42111.12  1062.63   48.811  1021.20   50.787 41.42963 70.44018 
1 1 1    3    5    8 o  729.595   28.050 217127.41 16617.08 223722.30 20357.49 203960.09 28765.21  739.795   33.890  701.626   50.837 38.16876 61.09772 
1 1 1    3    5    9 o  1445.37   48.582 860718.31 57015.28 886009.12 80635.73 835432.62 80627.83  1456.15   68.200  1412.73   70.289 43.41943 97.93746 
1 1 1    3    5   10 o  526.693   17.673 112909.30  7557.96 115594.50 10691.50 110227.10 10685.64  532.271   24.738  519.705   25.322 12.56604 35.40062 
1 1 1    3    5   11 o  374.093   12.935 56938.41  3928.92 53599.24  5558.28 60272.90  5554.38  362.019   18.975  384.522   17.790 -22.50269 26.01038 
1 1 1    3    5   12 o  624.919   24.693 160354.70 12529.33 163115.00 21740.92 158982.00 15331.32  621.677   43.341  620.425   30.434 1.251831 52.95898 
1 1 1    3    5   13 o  124.199   6.4761  6285.30  650.822  7084.93  912.897  5458.83  928.094  131.717   8.5826  115.397   10.004 16.31947 13.18114 
1 1 1    3    5   14 o  316.615   11.548 40838.54  2968.67 42784.53  4199.85 38895.35  4196.82  323.561   15.986  307.943   16.848 15.61752 23.22547 
1 1 1    3    5   15 o  411.519   14.656 69207.40  4897.06 67837.20  6924.55 70578.35  6926.44  405.471   21.106  414.251   20.592 -8.780121 29.48721 
1 1 1    3    5   16 o  234.571   9.1631 22408.12  1745.23 21038.14  2457.38 23802.35  2479.04  226.497   13.422  241.085   12.709 -14.58801 18.48414 
1 1 1    3    5   17 f   70.638   8.4593  2061.15  475.538  1976.60  672.970  2145.48  672.056   68.474   12.567   71.509   12.000 -3.035263 17.37599 
1 1 1    3    5   18 o  256.006   10.062 26776.79  2091.59 27166.86  2947.94 26381.38  2968.07  256.685   14.199  252.847   14.518 3.837875 20.30745 
1 1 1    3    5   19 o   39.864   11.608  666.272  398.545  589.121  518.826  777.332  622.484   39.371   13.481   44.394   14.766 -5.023933 19.99457 
1 1 1    3    5   20 o  223.233   9.4477 20476.38  1712.46 20606.96  2420.09 20345.43  2423.48  222.195   13.478  220.726   13.588 1.468872 19.13869 
1 1 1    3    5   21 o   42.529   12.993  760.843  489.989  593.653  576.601  1195.36  929.554   39.983   14.176   53.861   18.047 -13.87758 22.94906 
1 1 1    3    5   22 o  238.738   10.132 23676.08  1963.99 23749.58  2766.70 23601.42  2788.44  235.934   14.513  235.060   14.683 0.8735046 20.64498 
1 1 1    3    5   23 o   98.431   10.100  4089.44  795.782  3902.38  989.467  4432.02  1339.06   94.879   13.201   99.152   17.259 -4.273392 21.72945 
1 1 1    3    5   24 o  139.297   9.5064  8190.82  1068.80  7243.82  1419.20  9431.68  1624.54  128.256   13.848  146.516   13.819 -18.26025 19.56305 
1 1 1    3    5   25 o   42.059   15.360  733.384  682.745  1428.87  869.890 -382.3514  1101.79   54.428   17.412   36.244   16.601 18.18344 24.05773 
1 1 1    3    5   26 o  119.291   11.253  6392.88  1077.08  6194.99  1392.43  6687.67  1699.50  112.663   15.644  112.490   19.302 0.1732864 24.84510 
1 1 1    3    7    1 o  353.689   18.010 51172.35  5155.04 51159.13  7288.01 51185.58  7292.65  352.286   25.655  352.375   25.665 -0.8938599E-01 36.28840 
1 1 1    3    7    2 o  213.121   11.995 18536.42  2067.32 16677.41  2935.21 20366.38  2912.19  201.399   18.144  222.976   16.196 -21.57686 24.32082 
1 1 1    3    7    3 o  218.900   12.169 19548.04  2154.36 17575.00  3059.13 21489.39  3034.47  206.835   18.408  229.117   16.420 -22.28195 24.66708 
1 1 1    3    7    4 o  218.584   8.8070 19411.96  1563.09 24274.82  2783.03 17171.09  1889.22  243.884   14.114  205.214   11.383 38.67023 18.13219 
1 1 1    3    7    5 o  414.200   15.324 69781.37  5153.69 88080.88  8995.84 60840.94  6287.84  464.118   23.953  385.976   20.133 78.14200 31.29033 
1 1 1    3    7    6 o  1316.42   51.826 716572.62 55395.95 698266.12 96000.80 725711.00 67827.48  1270.77   93.701  1318.89   63.337 -48.12341 113.0994 
1 1 1    3    7    7 o  1511.74   73.611 958795.12 90355.59   0.0000   0.0000 958795.12 90355.59  ?   ?   1511.74   73.611 0.000000 73.61058 
1 1 1    3    7    8 o  1050.79   40.594 452700.31 34634.79 459928.19 42418.53 438243.81 59989.93  1056.65   49.441  1020.50   72.878 36.15240 88.06560 
1 1 1    3    7    9 o  693.538   22.921 195988.30 12907.54 192393.80 18253.17 199583.41 18254.88  685.848   32.777  698.638   32.180 -12.79059 45.93374 
1 1 1    3    7   10 o  179.538   7.2843 13093.44  1061.90 13123.50  1500.72 13063.30  1502.78  179.398   10.346  178.982   10.385 0.4160309 14.65956 
1 1 1    3    7   11 o  308.982   12.769 38856.10  3203.52 35599.99  3916.72 45436.43  5567.97  295.062   16.413  332.817   20.707 -37.75571 26.42269 
1 1 1    3    7   12 o  567.152   22.457 131927.30 10341.68 140291.80 17977.09 127790.10 12643.20  578.024   38.524  555.921   28.101 22.10370 47.68371 
1 1 1    3    7   13 o   58.847   7.0416  1427.61  329.774  1617.64  448.338  1203.61  486.772   62.409   9.1164   53.341   11.572 9.068188 14.73137 
1 1 1    3    7   14 o  207.695   8.2510 17545.66  1391.46 15211.87  1961.16 19911.46  1974.56  192.745   12.601  221.096   10.999 -28.35071 16.72574 
1 1 1    3    7   15 o  198.979   8.3264 16110.13  1345.26 15950.97  1899.48 16270.30  1905.49  197.408   11.906  199.392   11.822 -1.984955 16.77862 
1 1 1    3    7   16 o  140.600   7.1393  8062.25  812.367  8124.92  1130.72  7995.40  1167.91  140.848   9.9511  139.662   10.373 1.185837 14.37438 
1 1 1    3    7   17 o   70.751   7.9968  2064.38  451.334  1639.99  604.367  2599.47  678.634   62.246   12.393   79.065   10.858 -16.81855 16.47669 
1 1 1    3    7   18 o  155.174   7.7156  9816.32  972.132 10716.55  1390.97  8956.74  1359.19  161.484   10.668  147.427   11.444 14.05754 15.64557 
1 1 1    3    7   19 o  134.976   7.7927  7468.29  850.411  7087.42  1180.31  7879.44  1226.34  130.794   11.223  138.001   11.037 -7.206787 15.74024 
1 1 1    3    7   20 o  149.144   8.4066  9150.74  1013.90  8257.19  1385.38 10181.34  1487.83  140.600   12.258  156.380   11.804 -15.77979 17.01752 
1 1 1    3    7   21 o   85.244   8.7830  3022.59  599.208  3123.65  731.683  2816.79  1044.15   86.191   10.684   79.943   16.628 6.247124 19.76421 
1 1 1    3    7   22 o  158.494   8.8957 10421.23  1140.17 10273.75  1581.13 10581.00  1645.70  155.704   12.615  157.851   12.954 -2.146820 18.08159 
1 1 1    3    7   23 o  164.831   9.5174 11374.07  1268.36  9324.43  1707.03 13900.32  1895.14  146.236   14.570  179.943   13.060 -33.70689 19.56664 
1 1 1    3    7   24 o  159.876   10.278 10872.86  1327.14 10114.34  1871.93 11639.45  1881.84  149.833   15.616  161.920   14.466 -12.08635 21.28658 
1 1 1    3    7   25 o   50.982   14.337  1221.71  618.300  1238.55  676.711  1136.61  1521.31   51.109   15.192   52.884   21.835 -1.774265 26.59987 
1 1 1    3    7   26 o   31.058   13.127  187.276  569.551  187.276  569.551   0.0000   0.0000   31.058   13.127  ?   ?  0.000000 13.12701 
1 1 1    3    9    0 o  168.764   7.4338 11570.04  1018.66 10738.51  1449.16 12382.21  1432.19  162.151   11.073  174.245   10.167 -12.09442 15.03255 
1 1 1    3    9    1 o  371.760   18.892 56466.36  5683.86 52951.27  8044.09 59971.17  8032.31  358.613   27.844  382.093   26.045 -23.47992 38.12673 
1 1 1    3    9    2 o  550.859   26.885 124050.50 12025.07 124792.20 17021.58 123311.50 16990.49  549.252   38.409  545.924   38.578 3.328430 54.43822 
1 1 1    3    9    4 o  687.144   33.234 193293.30 18542.62 190602.30 26248.30 195974.09 26198.23  677.694   48.012  687.463   47.220 -9.768799 67.34147 
1 1 1    3    9    5 o  1032.85   49.985 440418.31 41919.71 425733.59 59321.97 455064.91 59244.95  1003.56   73.308  1039.16   70.634 -35.60199 101.7997 
1 1 1    3    9    6 o  164.000   9.5468 10962.51  1265.78   0.0000   0.0000 10962.51  1265.78  ?   ?   164.000   9.5468 0.000000 9.546844 
1 1 1    3    9    7 o  1488.52   58.374 917755.62 70553.08 967097.31 122283.70 893134.50 86380.51  1495.66  101.290  1460.36   72.848 35.29993 124.7655 
1 1 1    3    9    8 o  118.690   5.6112  5720.44  540.770  5630.90  759.050  5812.74  770.610  117.473   8.0055  119.364   7.9973 -1.890701 11.31573 
1 1 1    3    9    9 o  223.421   8.1357 20277.06  1475.91 18914.49  2088.22 21637.10  2086.28  215.379   11.988  230.735   11.136 -15.35599 16.36233 
1 1 1    3    9   10 o  666.255   22.136 181368.50 11975.15 172904.09 16937.92 189827.80 16932.93  648.231   32.180  679.626   30.685 -31.39581 44.46503 
1 1 1    3    9   11 o  540.863   19.301 119576.90  8476.44 120182.80 11989.30 118971.50 11985.68  539.691   27.450  536.915   27.586 2.775391 38.91654 
1 1 1    3    9   12 o  328.713   12.160 44008.33  3245.62 45197.08  4588.99 42818.54  4591.01  332.177   17.072  323.210   17.560 8.966888 24.49063 
1 1 1    3    9   13 o  215.894   8.7544 18959.37  1534.64 19603.46  2168.61 18313.25  2172.02  218.992   12.245  211.584   12.702 7.407959 17.64281 
1 1 1    3    9   14 o   47.576   7.8015  944.638  290.926  1559.58  373.732  -1.0378  463.462   61.454   7.6558   27.707   11.782 33.74653 14.05112 
1 1 1    3    9   15 o  283.940   10.391 32854.54  2395.65 30628.03  3378.01 35107.44  3397.98  273.136   15.293  293.025   14.282 -19.88928 20.92467 
1 1 1    3    9   16 o  114.029   7.0747  5310.14  651.801  5485.98  904.069  5119.81  940.586  115.612   9.7210  111.553   10.508 4.058983 14.31501 
1 1 1    3    9   17 o  183.551   8.0687 13726.45  1202.53 13509.36  1682.31 13953.26  1719.57  181.410   11.480  184.366   11.545 -2.956345 16.28140 
1 1 1    3    9   18 o  132.022   7.4198  7130.03  792.162  7162.55  1137.47  7099.40  1103.86  131.787   10.723  131.254   10.444 0.5333710 14.96857 
1 1 1    3    9   19 o   96.226   7.8252  3810.93  606.108  3135.01  805.286  4694.23  920.566   86.411   11.785  106.269   10.820 -19.85783 15.99828 
1 1 1    3    9   20 o  139.109   7.9178  7957.91  890.625  7651.79  1214.32  8314.29  1310.21  135.554   11.131  141.211   11.528 -5.656677 16.02452 
1 1 1    3    9   21 o   44.385   11.770  850.960  431.094  1103.20  500.151  122.029  850.232   50.396   12.325   37.998   16.048 12.39844 20.23484 
1 1 1    3    9   22 o   84.097   9.2255  2966.16  619.606  3876.70  750.541  1017.64  1097.94   96.101   9.7537   52.077   19.396 44.02373 21.71067 
1 1 1    3    9   23 o   24.465   11.228 -326.2580  507.573 -782.0387  570.774  1396.67  1109.73   22.435   10.776   56.437   19.695 -34.00222 22.45029 
1 1 1    3    9   24 o   61.301   12.068  1672.84  579.295  1027.78  685.727  3280.65  1082.59   47.809   15.477   83.836   16.491 -36.02678 22.61637 
1 1 1    3    9   25 o   72.878   12.008  2398.98  685.816  2183.53  773.366  3192.20  1483.92   67.971   14.457   75.304   22.523 -7.333176 26.76365 
1 1 1    3   11    0 o  260.152   14.198 27601.28  2987.69   0.0000   0.0000 27601.28  2987.69  ?   ?   260.152   14.198 0.000000 14.19758 
1 1 1    3   11    1 o  272.609   12.081 30204.29  2674.20 32105.33  4624.29 29249.10  3277.90  280.027   20.480  267.754   15.139 12.27228 25.46815 
1 1 1    3   11    2 o  878.369   42.400 317291.00 30240.05 314247.59 42779.23 320330.69 42752.57  866.177   61.220  874.848   60.558 -8.671631 86.11137 
1 1 1    3   11    3 o  1018.43   49.189 428034.31 40675.44 423580.59 57551.34 432479.41 57496.20  1002.00   71.201  1012.97   70.341 -10.97095 100.0870 
1 1 1    3   11    4 o  556.426   26.856 126276.20 12133.45 144593.20 17186.30 108073.90 17132.42  593.298   35.844  511.488   41.613 81.81024 54.92181 
1 1 1    3   11    6 o  1398.62   52.565 807258.12 59694.04 947498.81 103520.40 737395.88 73065.10  1493.12   85.747  1327.91   67.993 165.2129 109.4329 
1 1 1    3   11    7 o  401.584   19.762 65640.86  6443.84 71447.29  9177.02 59993.77  9050.23  417.616   27.212  382.220   29.386 35.39633 40.05088 
1 1 1    3   11    8 o  708.683   27.346 205165.41 15735.35 233950.30 27379.29 190968.50 19228.09  751.511   45.077  681.545   34.863 69.96594 56.98574 
1 1 1    3   11    9 o  392.086   16.026 62607.72  5102.11 65183.33  8949.15 61367.39  6210.27  397.866   27.878  387.364   19.811 10.50262 34.20015 
1 1 1    3   11   10 o  135.115   9.5855  7460.53  1044.80  7194.32  1581.35  7666.77  1391.86  132.023   15.019  136.650   12.689 -4.627380 19.66175 
1 1 1    3   11   11 o  192.339   9.2163 15045.67  1439.34 15548.93  2651.21 14835.36  1713.91  194.394   16.967  190.591   11.123 3.803085 20.28793 
1 1 1    3   11   12 o  529.985   16.672 114784.10  7174.39 110268.60 10151.44 119290.10 10140.80  517.602   24.154  538.647   23.186 -21.04535 33.48174 
1 1 1    3   11   13 o  399.199   13.119 65002.11  4252.46 61261.99  6018.23 68731.46  6009.55  386.516   19.176  409.630   18.068 -23.11490 26.34735 
1 1 1    3   11   14 o  347.472   12.454 49261.61  3513.63 48487.29  4972.08 50034.04  4965.98  343.373   17.895  348.897   17.586 -5.524261 25.09009 
1 1 1    3   11   15 o  203.397   8.3850 16840.72  1384.79 17067.76  1955.04 16612.13  1961.77  204.154   11.845  201.371   12.054 2.783478 16.89931 
1 1 1    3   11   16 f  475.887   17.446 93248.27  6741.12 95244.61  9540.70 91258.05  9526.09  477.020   24.717  466.607   25.237 10.41281 35.32501 
1 1 1    3   11   17 o  532.173   17.956 117354.80  7759.09 121244.70 10986.61 113484.10 10959.46  535.636   25.261  516.876   26.199 18.76025 36.39404 
1 1 1    3   11   18 o  164.240   7.8635 11016.54  1048.66 11182.11  1490.56 10854.29  1475.60  164.598   11.220  162.143   11.278 2.455460 15.90859 
1 1 1    3   11   19 o  114.587   7.9405  5400.44  734.235  4896.23  967.513  6085.16  1127.47  108.381   11.154  120.815   11.637 -12.43452 16.11919 
1 1 1    3   11   20 o   80.779   8.4049  2708.96  543.202  2074.68  659.144  4051.53  958.974   69.691   12.087   97.921   12.335 -28.23013 17.26950 
1 1 1    3   11   21 o  167.225   8.4396 11556.48  1142.23 11106.27  1556.08 12082.49  1681.98  162.534   11.873  169.342   12.317 -6.808060 17.10787 
1 1 1    3   11   22 o  121.910   8.5680  6185.44  842.734  6133.07  1093.25  6262.13  1322.95  120.303   11.325  120.394   13.782 -0.9033203E-01 17.83784 
1 1 1    3   11   23 o   15.108   7.4344 -658.9183  320.538 -386.7600  343.768 -2470.9719  887.033   18.357   8.6882   22.266   11.179 -3.909500 14.15812 
1 1 1    3   11   24 o  169.735   15.671 13211.29  2135.33   0.0000   0.0000 13211.29  2135.33  ?   ?   169.735   15.671 0.000000 15.67062 
1 1 1    3   11   25 f   29.793   14.506 -1484.3870  1126.35   0.0000   0.0000 -1484.3870  1126.35  ?   ?    29.793   14.506 0.000000 14.50590 
1 1 1    3   13    0 o  1348.41   65.526 758104.12 71741.88   0.0000   0.0000 758104.12 71741.88  ?   ?   1348.41   65.526 0.000000 65.52573 
1 1 1    3   13    1 o  661.258   26.121 178274.20 14025.04 183696.20 24293.59 175563.70 17176.56  666.982   45.123  655.483   32.273 11.49878 55.47663 
1 1 1    3   13    2 o  928.506   44.668 354268.41 33675.79 369646.00 47645.87 338917.91 47603.66  941.035   62.716  899.734   65.613 41.30121 90.76540 
1 1 1    3   13    3 o  866.015   60.279 312450.00 42122.51   0.0000   0.0000 312450.00 42122.51  ?   ?   866.015   60.279 0.000000 60.27909 
1 1 1    3   13    4 o  1129.26   54.188 526741.62 49686.35 555339.62 70308.54 498210.91 70225.75  1147.88   75.863  1084.58   80.314 63.29712 110.4787 
1 1 1    3   13    5 o  426.643   21.166 74104.95  7332.49 78572.20 10411.88 69709.37 10328.03  437.770   29.463  411.982   31.104 25.78812 42.84307 
1 1 1    3   13    6 o  1110.34   45.561 507850.69 41076.09 504468.31 71302.79 509530.69 50252.52  1086.99   81.377  1106.74   56.104 -19.74927 98.84303 
1 1 1    3   13    7 o  495.586   19.580 100055.10  7878.90 113168.90 13811.42 93728.73  9592.93  524.489   32.592  478.539   24.773 45.95081 40.93890 
1 1 1    3   13    8 o  330.032   13.258 44317.82  3552.91 52334.84  6329.78 40630.18  4292.96  357.301   21.924  315.347   16.827 41.95383 27.63703 
1 1 1    3   13    9 o  774.565   37.685 249423.30 23701.05 252242.59 33679.29 246657.30 33359.68  767.618   54.388  758.959   54.496 8.659302 76.99252 
1 1 1    3   13   10 o  300.761   12.716 36845.73  3105.26 38489.04  5539.75 36092.82  3749.75  305.522   22.489  297.021   15.603 8.501678 27.37161 
1 1 1    3   13   11 o  312.620   13.059 39833.05  3314.91 42556.04  5925.06 38592.39  3999.41  321.051   22.879  306.987   16.101 14.06332 27.97639 
1 1 1    3   13   12 o   77.586   8.0034  2473.92  496.952  985.519  1120.57  2838.31  554.458   54.162   19.693   83.124   8.3269 -28.96235 21.38116 
1 1 1    3   13   13 o  367.009   12.587 54948.50  3750.78 54764.00  5315.04 55131.52  5293.83  365.493   17.910  366.744   17.777 -1.250519 25.23479 
1 1 1    3   13   14 o  268.074   10.095 29281.82  2197.35 28532.97  3115.69 30022.88  3099.42  263.706   14.608  270.609   14.155 -6.903168 20.34115 
1 1 1    3   13   15 o   89.116   6.9284  3250.16  497.392  4114.10  650.228  2031.57  772.241  100.207   8.0597   69.200   14.219 31.00699 16.34475 
1 1 1    3   13   16 o  155.632   7.1147  9860.83  899.076  9475.43  1247.43 10277.45  1296.99  152.007   10.165  158.341   10.141 -6.333694 14.35901 
1 1 1    3   13   17 o  146.557   7.4430  8781.07  882.813  9149.90  1239.75  8401.66  1257.41  149.147   10.300  142.769   10.930 6.378128 15.01863 
1 1 1    3   13   18 o  149.769   7.9006  9196.84  957.376  9446.60  1294.33  8895.12  1422.61  151.208   10.609  146.324   12.082 4.883301 16.07891 
1 1 1    3   13   19 o  144.842   8.0668  8626.31  944.946  8639.31  1276.04  8610.52  1406.12  144.180   10.982  143.562   12.178 0.6184235 16.39839 
1 1 1    3   13   20 o  150.109   8.2487  9293.41  1001.53  7348.62  1321.74 11915.57  1534.75  132.060   12.474  168.944   11.253 -36.88348 16.79951 
1 1 1    3   13   21 o   37.745   11.564  600.300  387.836  824.677  422.632 -596.4679  976.065   43.602   11.696   33.862   15.552 9.740334 19.45895 
1 1 1    3   13   22 o   95.729   15.146  4059.66  1138.11  3032.00  2824.78  4258.80  1243.50   78.719   30.671   97.491   16.283 -18.77198 34.72562 
1 1 1    3   13   23 f   71.506   18.510  2452.01  1083.04   0.0000   0.0000  2452.01  1083.04  ?   ?    71.506   18.510 0.000000 18.50957 
1 1 1    3   13   24 o   23.528   10.667 -195.0104  440.225 -366.1180  471.756  958.163  1224.70   22.642   10.543   49.378   19.885 -26.73593 22.50696 
1 1 1    3   13   25 o   40.846   12.933  779.952  480.816  779.952  480.816   0.0000   0.0000   40.846   12.933  ?   ?  0.000000 12.93264 
1 1 1    3   15    0 o  447.099   22.552 81611.17  8160.54   0.0000   0.0000 81611.17  8160.54  ?   ?   447.099   22.552 0.000000 22.55167 
1 1 1    3   15    1 o  967.690   38.127 383549.69 29957.36 399278.91 51901.01 375691.19 36685.41  976.823   65.820  955.464   47.287 21.35944 81.04552 
1 1 1    3   15    2 o  226.435   10.707 20830.75  1968.47 20720.30  3411.52 20885.88  2410.16  224.878   18.858  226.310   13.173 -1.431122 23.00315 
1 1 1    3   15    3 o  347.151   17.843 49157.52  5012.38 58378.51  7132.64 40160.92  7045.32  377.812   23.365  312.473   28.068 65.33914 36.52040 
1 1 1    3   15    4 f  562.810   27.247 129287.20 12451.58 145379.91 17665.22 113397.10 17553.69  594.405   36.782  523.643   41.629 70.76196 55.55082 
1 1 1    3   15    5 o  385.611   19.407 60712.95  6057.11 70492.37  8633.63 51233.86  8500.02  414.738   25.765  352.655   29.969 62.08340 39.52171 
1 1 1    3   15    6 o  707.886   34.164 206029.80 19636.72 218796.00 27841.45 193392.80 27700.12  723.760   47.642  679.043   50.603 44.71692 69.50143 
1 1 1    3   15    7 o  745.483   27.892 228122.41 16883.46 252082.20 29444.54 216385.91 20607.77  774.585   47.039  723.755   35.067 50.83008 58.67178 
1 1 1    3   15    8 o  238.040   15.734 23206.44  3023.99 11396.55  4506.83 32877.43  4078.34  162.751   35.134  283.213   17.826 -120.4629 39.39724 
1 1 1    3   15    9 o  573.228   23.113 134878.70 10757.74 131677.80 18849.16 136425.00 13101.00  558.048   41.905  575.015   28.060 -16.96716 50.43197 
1 1 1    3   15   10 o  557.062   22.051 127394.30  9974.14 135363.80 17504.36 123562.80 12137.29  566.794   38.259  547.000   27.327 19.79346 47.01617 
1 1 1    3   15   11 o  412.698   17.568 69701.35  5886.88 61340.13 10433.64 73606.20  7130.23  381.629   34.028  423.438   20.738 -41.80896 39.84952 
1 1 1    3   15   12 o  280.349   12.583 32059.05  2864.32 28812.19  5222.82 33455.66  3425.40  262.910   24.757  285.756   14.814 -22.84564 28.85097 
1 1 1    3   15   13 o  283.897   12.761 32905.31  2941.53 29114.34  5392.81 34510.90  3509.59  263.700   25.505  290.062   14.952 -26.36230 29.56478 
1 1 1    3   15   14 o  210.593   10.514 18085.59  1797.82 16876.39  3447.47 18537.26  2107.00  200.945   21.461  212.690   12.252 -11.74535 24.71243 
1 1 1    3   15   15 o  334.568   14.444 45919.84  3923.76 46353.49  7123.95 45731.00  4701.10  331.055   26.730  332.648   17.466 -1.593445 31.93074 
1 1 1    3   15   16 o  214.619   10.685 18848.64  1861.94 20369.60  3659.02 18317.19  2162.91  219.840   20.744  210.862   12.692 8.977692 24.31836 
1 1 1    3   15   17 o  153.741   9.8796  9729.47  1226.76 12169.33  2848.75  9174.01  1359.25  168.148   21.346  148.946   11.324 19.20245 24.16384 
1 1 1    3   15   18 o   97.668   11.123  3985.59  866.370  4675.08  2423.51  3884.57  927.671  100.297   28.447   96.145   12.155 4.152000 30.93469 
1 1 1    3   15   19 o   86.476   8.4147  3100.71  583.362  3491.53  687.751  2098.38  1101.41   91.592   9.3800   68.676   19.072 22.91666 21.25413 
1 1 1    3   15   20 o  201.271   11.866 16997.07  1930.55 19847.90  4082.50 16175.95  2191.00  206.978   24.785  195.154   13.918 11.82382 28.42558 
1 1 1    3   15   21 o  180.313   12.290 13797.80  1788.63 17393.51  3952.42 12871.78  2005.76  188.909   26.496  172.724   14.434 16.18457 30.17267 
1 1 1    3   15   22 o   66.096   9.9358  1871.40  516.732  2289.34  561.507 -440.0715  1320.52   73.324   9.6669   40.553   18.420 32.77174 20.80218 
1 1 1    3   15   23 o   41.778   12.065  777.988  432.149  602.929  459.418  2122.69  1273.30   37.786   12.687   64.889   21.097 -27.10356 24.61769 
1 1 1    3   15   24 o   49.732   11.856  1136.10  471.994  959.201  501.803  2493.71  1390.15   45.392   12.969   66.555   22.063 -21.16286 25.59240 
1 1 1    3   17    0 o  706.269   34.491 204529.50 19779.49   0.0000   0.0000 204529.50 19779.49  ?   ?   706.269   34.491 0.000000 34.49105 
1 1 1    3   17    1 o  609.833   24.497 151761.41 12130.22 151904.09 21046.41 151690.41 14843.67  605.425   43.095  608.907   30.023 -3.482422 52.52164 
1 1 1    3   17    2 o  472.323   19.492 90886.88  7475.27 91940.34 12955.08 90361.05  9152.64  472.190   34.018  469.920   24.068 2.270905 41.67106 
1 1 1    3   17    3 o  461.614   23.002 86984.62  8621.60 94961.10 12253.70 79164.81 12132.77  480.148   31.607  437.599   34.424 42.54898 46.73402 
1 1 1    3   17    4 o  643.339   31.483 170047.80 16445.80 175645.70 23321.19 164510.30 23195.06  648.584   44.554  627.074   45.874 21.50964 63.94891 
1 1 1    3   17    5 o  373.510   19.193 57086.63  5801.28 63480.32  8289.89 50950.51  8121.19  392.653   26.151  351.045   28.744 41.60800 38.85987 
1 1 1    3   17    6 o   90.341   16.397  3431.00  1158.48  3431.00  1158.48   0.0000   0.0000   90.341   16.397  ?   ?  0.000000 16.39702 
1 1 1    3   17    7 o  429.634   22.009 75848.37  7652.18 74682.24 10922.88 76972.30 10723.52  423.500   32.001  430.338   30.895 -6.837555 44.48111 
1 1 1    3   17    8 o  559.974   23.093 128766.60 10499.86 121452.30 18447.80 132271.50 12770.09  534.976   42.828  566.108   27.782 -31.13184 51.04959 
1 1 1    3   17    9 o  200.114   10.771 16349.43  1743.73 11227.35  3282.82 18362.56  2058.07  163.158   25.624  211.975   12.007 -48.81677 28.29789 
1 1 1    3   17   10 o  152.016   8.0590  9424.28  991.185 11889.95  2055.36  8677.11  1131.44  169.971   15.048  145.701   9.6179 24.26958 17.85930 
1 1 1    3   17   11 o  553.728   23.167 126485.10 10416.21 116935.80 18345.46 131028.20 12653.63  520.374   43.827  561.655   27.746 -41.28113 51.87128 
1 1 1    3   17   12 o  276.353   12.558 31173.42  2817.88 29125.64  5197.72 32025.82  3353.46  264.066   24.522  279.424   14.834 -15.35818 28.65921 
1 1 1    3   17   13 o   14.272   7.1369 -954.3870  344.848 -131.2950  780.171 -1154.2500  384.443   34.432   14.969   14.610   7.3384 19.82247 16.67116 
1 1 1    3   17   14 o  349.004   15.309 50009.46  4338.20 45309.54  7915.22 52027.51  5186.60  325.735   30.273  354.762   18.065 -29.02744 35.25365 
1 1 1    3   17   15 o  115.384   9.3234  5470.18  866.025  6871.91  2440.51  5268.25  926.308  125.650   24.802  113.085   10.198 12.56446 26.81628 
1 1 1    3   17   16 o  143.129   9.7276  8427.63  1123.80  9822.05  2785.42  8156.51  1228.20  150.174   23.623  140.573   10.844 9.601425 25.99348 
1 1 1    3   17   17 o   81.673   12.321  2817.47  791.639  4309.42  1974.85  2531.83  864.104   97.501   24.867   76.818   14.382 20.68307 28.72654 
1 1 1    3   17   18 f  196.798   11.210 16084.94  1783.85 16986.61  3740.34 15819.46  2029.53  194.666   24.185  194.446   12.928 0.2201538 27.42355 
1 1 1    3   17   19 o   46.924   18.807  556.614  1089.75  3532.63  1966.61 -762.1033  1309.11   86.495   25.942   39.337   18.046 47.15783 31.60105 
1 1 1    3   17   20 o  124.316   15.863  6748.62  1564.68  7338.31  2951.42  6518.10  1845.35  119.426   30.368  120.015   19.614 -0.5889740 36.15151 
1 1 1    3   17   21 o  141.206   13.265  8604.19  1503.10  5177.34  3878.69  9209.77  1630.51   93.475   36.074  145.675   13.956 -52.20051 38.67920 
1 1 1    3   17   22 o   55.506   18.405  1421.35  967.322   0.0000   0.0000  1421.35  967.322  ?   ?    55.506   18.405 0.000000 18.40471 
1 1 1    3   17   23 o   55.120   19.019  1483.90  1033.43   0.0000   0.0000  1483.90  1033.43  ?   ?    55.120   19.019 0.000000 19.01890 
1 1 1    3   19    0 o  899.633   44.416 338309.91 32444.54   0.0000   0.0000 338309.91 32444.54  ?   ?   899.633   44.416 0.000000 44.41585 
1 1 1    3   19    1 o  336.476   14.844 46118.56  4055.44 47353.95  7098.21 45519.88  4941.33  338.816   26.000  333.497   18.318 5.318420 31.80485 
1 1 1    3   19    2 o  432.893   18.392 76494.48  6464.87 87521.78 11230.51 71029.27  7906.22  459.981   30.238  415.783   23.515 44.19794 38.30507 
1 1 1    3   19    3 o  953.843   39.445 379339.19 30550.03 390651.31 52912.45 373682.59 37416.62  940.051   69.820  938.710   49.262 1.340942 85.44955 
1 1 1    3   19    4 o  251.772   21.490 26142.51  4351.11 26142.51  4351.11   0.0000   0.0000  251.772   21.490  ?   ?  0.000000 21.48983 
1 1 1    3   19    5 o  287.744   23.526 34208.25  5448.46 34208.25  5448.46   0.0000   0.0000  287.744   23.526  ?   ?  0.000000 23.52583 
1 1 1    3   19    6 o  605.450   30.548 152159.59 14969.29 148768.20 21294.22 155472.91 21047.48  591.350   44.678  605.549   43.088 -14.19879 62.07022 
1 1 1    3   19    7 o  310.278   17.121 39466.62  4296.77 39042.52  6222.37 39853.18  5940.52  306.884   25.194  310.426   23.748 -3.542786 34.62245 
1 1 1    3   19    8 o  309.547   15.840 39246.97  3967.82 28227.02  7214.21 44026.24  4750.94  257.472   35.448  327.507   17.934 -70.03516 39.72626 
1 1 1    3   19    9 o  249.035   12.629 25354.22  2545.28 18684.53  4767.13 28013.74  3010.27  210.344   28.658  261.567   14.227 -51.22269 31.99503 
1 1 1    3   19   10 o  342.333   14.120 47873.21  3924.85 50901.20  7177.55 46581.57  4687.80  349.707   25.452  336.754   17.202 12.95361 30.71977 
1 1 1    3   19   11 o  407.622   17.377 68173.84  5751.49 63504.81 10358.58 70254.81  6915.43  386.754   33.311  412.909   20.627 -26.15424 39.17986 
1 1 1    3   19   12 o  230.492   10.828 21670.30  2026.51 23517.94  3928.89 21000.56  2365.45  237.828   20.547  226.315   12.926 11.51367 24.27500 
1 1 1    3   19   13 o   97.772   8.8421  3927.15  694.357  3407.66  1630.67  4042.21  767.405   88.841   22.563   99.095   9.6604 -10.25362 24.54389 
1 1 1    3   19   14 o  136.558   8.7955  7639.06  970.068 10701.84  2297.22  6974.38  1070.16  159.771   18.023  130.248   10.201 29.52307 20.70929 
1 1 1    3   19   15 o  190.412   10.297 14901.23  1586.16 17994.49  3520.00 14113.10  1776.77  205.385   21.423  184.913   11.897 20.47240 24.50449 
1 1 1    3   19   16 o  279.711   13.005 32408.62  2953.63 36638.91  5846.46 30958.94  3422.51  288.764   25.187  271.809   15.572 16.95557 29.61243 
1 1 1    3   19   17 o  153.529   14.345  9943.32  1767.58 12151.93  3497.68  9185.82  2048.39  162.486   27.492  146.138   17.618 16.34744 32.65248 
1 1 1    3   19   18 o  130.235   15.079  7259.84  1565.01  5957.81  3071.05  7716.58  1818.91  108.934   32.360  133.322   17.204 -24.38854 36.64925 
1 1 1    3   19   19 o   77.437   16.337  2667.53  994.881  4157.34  2749.13  2443.02  1067.21   91.064   31.033   73.506   18.020 17.55791 35.88554 
1 1 1    3   19   20 f   60.283   18.472  1648.76  989.575  1118.43  2839.92  1722.05  1055.74   66.895   28.820   61.504   19.118 5.390530 34.58484 
1 1 1    3   19   21 o   50.304   18.102  1059.47  943.458  2686.67  3004.60  881.477  993.719   74.468   30.710   48.283   18.351 26.18544 35.77484 
1 1 1    3   19   22 o   73.079   19.620  2677.26  1188.66   0.0000   0.0000  2677.26  1188.66  ?   ?    73.079   19.620 0.000000 19.61961 
1 1 1    3   19   23 o   85.985   25.067  4516.42  1857.64   0.0000   0.0000  4516.42  1857.64  ?   ?    85.985   25.067 0.000000 25.06705 
1 1 1    3   21    0 o  143.466   17.210  8525.95  1964.80   0.0000   0.0000  8525.95  1964.80  ?   ?   143.466   17.210 0.000000 17.21030 
1 1 1    3   21    1 o  246.318   21.813 25066.10  4317.50   0.0000   0.0000 25066.10  4317.50  ?   ?   246.318   21.813 0.000000 21.81285 
1 1 1    3   21    2 o  230.693   15.028 21800.52  2799.54 24116.09  3962.54 19492.84  3955.77  241.825   20.370  216.767   22.818 25.05827 30.58749 
1 1 1    3   21    3 o  585.155   24.014 140762.70 11409.54 141872.50 19789.04 140210.00 13964.22  578.512   42.424  581.390   29.680 -2.877686 51.77546 
1 1 1    3   21    4 o  254.034   15.399 26435.63  3161.32 25343.46  4592.19 27419.48  4358.53  247.308   23.138  257.762   21.008 -10.45396 31.25173 
1 1 1    3   21    5 o  457.137   23.791 86209.98  8800.21 84981.82 12577.38 87387.90 12317.43  449.870   34.700  456.761   33.444 -6.891235 48.19376 
1 1 1    3   21    6 o  337.372   18.474 46746.21  5041.50 47688.38  7277.54 45876.86  6990.63  338.680   26.680  332.310   26.119 6.370148 37.33635 
1 1 1    3   21    7 o  289.993   16.500 34505.97  3869.07 36391.00  5669.45 32862.78  5293.29  296.191   23.774  281.478   23.372 14.71323 33.33838 
1 1 1    3   21    8 o  399.730   21.447 65947.88  6935.71 63469.20 10026.85 68221.88  9603.97  388.218   32.097  403.682   29.505 -15.46408 43.59748 
1 1 1    3   21    9 o  229.748   11.837 21585.70  2200.70 16946.79  4261.76 23272.44  2569.84  200.261   26.888  238.354   13.332 -38.09238 30.01212 
1 1 1    3   21   10 o  222.329   10.037 20143.04  1812.01 22684.10  3663.33 19319.97  2084.92  233.963   19.460  217.260   11.864 16.70296 22.79136 
1 1 1    3   21   11 o   94.559   8.2100  3667.59  624.095  7725.61  1756.90  3081.59  667.638  136.268   16.196   86.418   9.6811 49.84907 18.86880 
1 1 1    3   21   12 o  409.311   17.215 69041.49  5721.44 67206.45 10429.88 69831.40  6842.93  395.060   32.812  409.840   20.629 -14.78033 38.75771 
1 1 1    3   21   13 o  397.780   17.192 65496.56  5552.61 61234.44 10204.80 67289.13  6618.05  373.097   34.061  401.155   20.385 -28.05786 39.69522 
1 1 1    3   21   14 o  137.632   13.823  7898.09  1523.87  9117.40  2838.70  7404.46  1806.19  143.998   25.196  132.256   17.228 11.74231 30.52331 
1 1 1    3   21   15 o  190.781   15.003 15259.72  2305.39 15657.08  4122.20 15078.87  2780.96  186.283   28.129  188.145   18.441 -1.861313 33.63525 
1 1 1    3   21   16 o  193.383   14.990 15771.55  2335.38 18841.97  4321.26 14504.76  2775.65  203.711   26.774  183.407   18.910 20.30409 32.77800 
1 1 1    3   21   17 o  144.053   11.326  8669.72  1314.10  9293.26  3783.26  8584.16  1401.36  135.095   34.398  143.022   12.183 -7.926956 36.49221 
1 1 1    3   21   18 o  107.462   12.664  4913.60  1083.75  4101.93  3187.50  5019.70  1152.40   91.122   33.201  108.348   13.384 -17.22573 35.79731 
1 1 1    3   21   19 o   71.546   17.373  2330.67  999.183 -917.6609  3806.68  2571.03  1035.49   65.083   30.182   75.220   17.313 -10.13761 34.79533 
1 1 1    3   21   20 o   27.919   13.311 -970.1922  837.005 -2387.3130  3944.92 -903.3898  856.506   59.376   28.468   28.781   13.648 30.59571 31.57099 
1 1 1    3   21   21 o   46.361   18.319  760.182  1019.86   0.0000   0.0000  760.182  1019.86  ?   ?    46.361   18.319 0.000000 18.31890 
1 1 1    3   21   22 o   34.872   16.276 -617.8472  1135.19   0.0000   0.0000 -617.8472  1135.19  ?   ?    34.872   16.276 0.000000 16.27588 
1 1 1    3   23    0 o  479.757   25.173 95178.87  9771.78   0.0000   0.0000 95178.87  9771.78  ?   ?   479.757   25.173 0.000000 25.17287 
1 1 1    3   23    1 o  207.148   14.634 17601.00  2445.55   0.0000   0.0000 17601.00  2445.55  ?   ?   207.148   14.634 0.000000 14.63390 
1 1 1    3   23    2 o  539.753   22.686 119840.40  9942.19 110052.00 17344.08 124631.00 12133.61  507.487   42.482  548.861   27.226 -41.37381 50.45758 
1 1 1    3   23    3 o  233.587   12.587 22308.32  2378.46 21784.46  4191.44 22557.11  2888.56  228.977   22.849  234.507   15.253 -5.530258 27.47255 
1 1 1    3   23    4 o   89.332   12.441  3315.58  877.921  2903.87  1576.10  3500.79  1057.10   82.702   22.756   91.453   14.737 -8.750725 27.11093 
1 1 1    3   23    5 o  141.456   13.173  8234.32  1495.66  7671.95  2284.51  8656.19  1978.67  134.944   21.577  144.402   17.215 -9.457581 27.60269 
1 1 1    3   23    6 o  158.842   13.250 10369.42  1693.26 10233.79  2642.10 10463.95  2205.78  156.277   21.383  158.880   17.382 -2.603638 27.55622 
1 1 1    3   23    7 o  357.484   19.837 52721.59  5735.27 52892.90  8367.78 52569.82  7876.30  354.772   29.311  354.362   27.591 0.4096069 40.25441 
1 1 1    3   23    8 o  293.739   17.745 35557.04  4212.36 32165.95  6252.38 38375.59  5700.19  276.154   28.283  303.611   23.300 -27.45657 36.64469 
1 1 1    3   23    9 o  411.941   18.778 69875.16  6280.86 60827.24 11510.46 73711.45  7495.04  374.474   38.399  421.468   21.977 -46.99405 44.24354 
1 1 1    3   23   10 o  320.137   14.322 42004.57  3722.79 39673.76  7070.62 42898.54  4378.89  305.563   28.839  322.542   16.778 -16.97849 33.36483 
1 1 1    3   23   11 o  124.564   13.377  6433.76  1331.79  4826.98  2234.70  7318.75  1658.49  105.011   26.274  132.453   15.729 -27.44183 30.62162 
1 1 1    3   23   12 o   90.154   15.561  3449.10  1097.90 -4090.6479  2666.42  4988.33  1204.77   47.080   22.780  109.232   13.898 -62.15176 26.68536 
1 1 1    3   23   13 o  300.079   17.726 37796.39  4299.74 43102.99  6621.50 33927.26  5653.98  314.636   26.156  279.646   25.170 34.98941 36.29946 
1 1 1    3   23   14 o   35.968   13.418  413.849  525.836 -1587.5360  2213.36  533.567  541.335   49.616   23.011   38.504   13.727 11.11165 26.79472 
1 1 1    3   23   15 o  122.326   10.716  6224.35  1053.66 12834.21  3527.08  5576.67  1104.08  167.545   26.832  115.391   11.957 52.15430 29.37584 
1 1 1    3   23   16 o  107.970   11.289  4890.72  975.025  4894.92  3652.29  4890.39  1011.74   99.679   35.643  107.823   11.746 -8.144241 37.52863 
1 1 1    3   23   17 o   49.359   16.548  1006.90  781.575  3333.33  3588.64  891.052  800.798   86.662   34.325   47.602   16.724 39.05959 38.18256 
1 1 1    3   23   18 o   39.141   16.578  154.312  911.507   44.267  3892.39  160.697  937.577   69.452   31.576   39.675   16.810 29.77660 35.77161 
1 1 1    3   23   19 o   46.113   17.359  785.175  883.998  992.445  4376.59  776.359  902.601   72.915   33.279   46.199   17.506 26.71584 37.60214 
1 1 1    3   23   20 f   39.411   16.281  354.364  846.499   0.0000   0.0000  354.364  846.499  ?   ?    39.411   16.281 0.000000 16.28083 
1 1 1    3   23   21 o   35.421   15.812 -95.0522  926.213   0.0000   0.0000 -95.0522  926.213  ?   ?    35.421   15.812 0.000000 15.81168 
1 1 1    3   25    0 o  141.108   14.747  8225.23  1664.67   0.0000   0.0000  8225.23  1664.67  ?   ?   141.108   14.747 0.000000 14.74697 
1 1 1    3   25    1 o  435.035   23.734 78409.95  8352.01   0.0000   0.0000 78409.95  8352.01  ?   ?   435.035   23.734 0.000000 23.73408 
1 1 1    3   25    2 o  232.926   13.571 22229.69  2555.52 16615.76  4555.94 24806.87  3086.86  197.667   29.271  245.764   15.549 -48.09703 33.14445 
1 1 1    3   25    3 o  329.056   16.079 44331.99  4295.90 38489.93  7569.83 47107.29  5217.45  301.609   31.369  338.101   19.083 -36.49213 36.71782 
1 1 1    3   25    4 f  309.392   15.776 39291.87  3949.92 45146.48  6929.58 36474.13  4807.36  328.674   26.183  297.054   20.049 31.62009 32.97719 
1 1 1    3   25    5 o  288.329   14.699 34099.73  3429.90 34416.64  5989.36 33945.08  4183.88  286.595   26.022  286.932   18.050 -0.3371277 31.66912 
1 1 1    3   25    6 o  239.699   16.322 23670.14  3157.81 20168.48  4734.07 26477.13  4238.56  218.236   27.314  252.458   20.864 -34.22255 34.37119 
1 1 1    3   25    7 o  167.677   14.769 11604.68  1990.30 11310.63  3155.21 11799.02  2565.00  163.200   24.573  168.170   19.125 -4.969696 31.13781 
1 1 1    3   25    8 o  366.780   21.119 55924.64  6262.79 52773.86  9233.34 58609.34  8523.09  350.536   32.823  372.037   28.430 -21.50113 43.42327 
1 1 1    3   25    9 o  220.608   15.426 20108.87  2745.90 23435.14  4330.17 17871.65  3551.24  235.892   22.896  206.183   21.530 29.70901 31.42859 
1 1 1    3   25   10 o  432.147   24.252 79046.91  8475.50 76567.86 12445.48 81191.03 11574.22  413.902   37.437  430.273   33.391 -16.37131 50.16437 
1 1 1    3   25   11 o  254.596   11.268 26605.11  2329.32 34137.18  5087.21 24607.11  2620.12  283.166   22.306  243.991   13.275 39.17537 25.95792 
1 1 1    3   25   12 o  130.328   9.9915  7010.27  1049.26  7482.15  3375.53  6959.79  1103.95  126.281   32.672  129.729   10.572 -3.447701 34.33989 
1 1 1    3   25   13 o   45.928   12.620  901.896  485.129  981.618  2266.17  898.067  496.643   65.427   26.789   45.874   12.831 19.55332 29.70332 
1 1 1    3   25   14 o   82.254   10.919  2844.18  711.245  2754.78  2925.49  2849.79  733.245   82.835   31.486   82.246   11.277 0.5883942 33.44416 
1 1 1    3   25   15 o  237.397   13.206 23691.58  2535.52 21884.46  6083.90 24071.42  2789.30  205.076   37.934  238.485   14.473 -33.40860 40.60092 
1 1 1    3   25   16 o   94.322   12.662  3799.52  945.240  3533.31  4067.98  3814.71  971.839   89.055   36.108   94.380   13.029 -5.325691 38.38698 
1 1 1    3   25   17 o   72.371   16.626  2364.30  956.420  389.693  3612.40  2513.15  991.813   68.994   30.981   74.596   16.781 -5.601418 35.23417 
1 1 1    3   25   18 o   45.620   17.701  701.588  937.787  2464.28  4708.95  628.791  956.955   79.647   35.596   44.934   17.748 34.71313 39.77517 
1 1 1    3   25   19 o   49.164   18.406  981.908  991.154   0.0000   0.0000  981.908  991.154  ?   ?    49.164   18.406 0.000000 18.40580 
1 1 1    3   25   20 o  105.512   16.048  5235.56  1331.57   0.0000   0.0000  5235.56  1331.57  ?   ?   105.512   16.048 0.000000 16.04836 
1 1 1    3   25   21 o   29.574   14.867 -3703.9761  1593.93   0.0000   0.0000 -3703.9761  1593.93  ?   ?    29.574   14.867 0.000000 14.86679 
1 1 1    3   27    0 o  117.744   17.042  5806.18  1581.88   0.0000   0.0000  5806.18  1581.88  ?   ?   117.744   17.042 0.000000 17.04165 
1 1 1    3   27    1 o  125.161   16.973  6545.24  1680.40   0.0000   0.0000  6545.24  1680.40  ?   ?   125.161   16.973 0.000000 16.97289 
1 1 1    3   27    2 o  573.854   30.393 138991.50 14111.36   0.0000   0.0000 138991.50 14111.36  ?   ?   573.854   30.393 0.000000 30.39343 
1 1 1    3   27    3 o  130.725   13.858  7069.61  1448.56  6767.35  2704.20  7191.24  1715.43  124.879   27.420  131.367   16.442 -6.487968 31.97219 
1 1 1    3   27    4 o  310.499   19.467 39935.50  4883.19 39097.52  7310.47 40610.63  6561.77  303.081   30.105  310.628   26.262 -7.547485 39.94985 
1 1 1    3   27    5 o  292.490   19.153 35472.43  4523.61 31614.32  6806.79 38524.25  6053.89  271.255   31.491  302.761   24.845 -31.50650 40.11175 
1 1 1    3   27    6 o  118.758   16.102  5903.94  1512.66  5733.85  2418.91  6013.18  1938.44  114.601   26.521  118.737   20.868 -4.136444 33.74614 
1 1 1    3   27    7 o  312.336   19.448 40638.33  4907.66 40899.13  7397.35 40433.30  6558.99  308.090   29.949  308.256   26.462 -0.1660461 39.96468 
1 1 1    3   27    8 o  301.770   19.109 38067.00  4657.93 38116.66  7140.57 38030.22  6145.48  295.788   30.153  298.250   25.626 -2.462036 39.57117 
1 1 1    3   27    9 o  234.276   17.989 23028.63  3395.88 18158.40  5610.97 25843.69  4265.87  198.387   36.165  246.584   21.522 -48.19719 42.08450 
1 1 1    3   27   10 o   53.328   9.8228  1202.21  409.661  5730.26  2999.41  1116.14  413.536  111.290   31.675   51.258   10.294 60.03223 33.30585 
1 1 1    3   27   11 o  169.899   10.341 11917.22  1419.81 15811.39  4321.30 11445.96  1503.27  185.882   29.626  166.254   11.201 19.62840 31.67242 
1 1 1    3   27   12 o  145.506   9.7413  8751.18  1144.25 12191.11  3665.86  8379.85  1204.43  162.090   28.914  142.164   10.509 19.92613 30.76438 
1 1 1    3   27   13 o   58.892   12.053  1492.24  556.918  8020.71  3485.54  1321.21  564.166  126.715   33.403   55.221   12.828 71.49429 35.78163 
1 1 1    3   27   14 o   60.002   13.156  1566.53  623.279  435.555  3669.56  1600.13  632.469   72.221   31.897   60.640   13.218 11.58148 34.52699 
1 1 1    3   27   15 o   48.251   16.067  968.214  736.949   6.0840  3194.57  1022.29  757.377   65.411   29.270   49.355   16.282 16.05566 33.49346 
1 1 1    3   27   16 o   83.258   13.328  3015.90  870.613  3965.48  4896.06  2984.89  884.713   89.509   38.185   82.689   13.654 6.820358 40.55213 
1 1 1    3   27   17 o  109.931   13.890  5295.03  1212.12 11099.09  5566.72  5006.14  1241.92  119.279   43.813  106.349   14.782 12.92979 46.23925 
1 1 1    3   27   18 o   46.212   18.072  764.074  983.441   0.0000   0.0000  764.074  983.441  ?   ?    46.212   18.072 0.000000 18.07180 
1 1 1    3   27   19 o   25.887   12.645 -1400.9250  876.095   0.0000   0.0000 -1400.9250  876.095  ?   ?    25.887   12.645 0.000000 12.64536 
1 1 1    3   27   20 o   85.811   19.406  3903.74  1320.44   0.0000   0.0000  3903.74  1320.44  ?   ?    85.811   19.406 0.000000 19.40591 
1 1 1    3   29    0 o  209.631   25.226 18704.23  4207.65   0.0000   0.0000 18704.23  4207.65  ?   ?   209.631   25.226 0.000000 25.22628 
1 1 1    3   29    1 o  388.309   33.472 65442.59 10450.54   0.0000   0.0000 65442.59 10450.54  ?   ?   388.309   33.472 0.000000 33.47240 
1 1 1    3   29    2 o  312.593   28.498 41826.55  7153.76   0.0000   0.0000 41826.55  7153.76  ?   ?   312.593   28.498 0.000000 28.49808 
1 1 1    3   29    3 o  293.388   19.433 35899.16  4603.22   0.0000   0.0000 35899.16  4603.22  ?   ?   293.388   19.433 0.000000 19.43336 
1 1 1    3   29    4 o  167.917   15.407 11720.75  2077.18  9615.07  3825.88 12600.88  2473.48  146.114   33.025  173.500   17.810 -27.38606 37.52109 
1 1 1    3   29    5 o  320.944   17.510 42889.00  4545.72 41252.83  8140.04 43630.48  5479.77  304.996   33.417  321.928   21.080 -16.93143 39.50990 
1 1 1    3   29    6 o  275.320   16.671 31603.48  3709.14 30475.53  6622.84 32118.96  4477.17  261.581   31.838  275.929   20.122 -14.34805 37.66397 
1 1 1    3   29    7 o  245.062   16.624 25139.35  3288.27 27749.34  6227.27 24130.23  3872.12  248.297   31.604  238.378   20.195 9.918488 37.50564 
1 1 1    3   29    8 o  128.672   18.258  7092.00  1854.03  8564.64  4058.36  6703.59  2084.24  133.249   36.455  123.826   21.510 9.422043 42.32764 
1 1 1    3   29    9 o  153.975   17.616 10116.71  2162.79 11199.39  4060.03  9687.76  2555.57  153.266   33.555  148.775   21.802 4.491806 40.01585 
1 1 1    3   29   10 f  106.400   8.8944  4679.60  761.368  9902.68  3950.33  4478.09  775.916  142.053   34.575  103.984   9.2876 38.06863 35.80083 
1 1 1    3   29   11 o  119.592   9.6422  5931.16  928.349  5696.10  3803.16  5946.05  957.307  106.878   36.500  119.664   9.9426 -12.78632 37.83008 
1 1 1    3   29   12 o   42.329   13.542  740.787  526.116  4347.53  4025.27  678.101  530.668   96.049   36.831   41.044   13.633 55.00542 39.27345 
1 1 1    3   29   13 o  113.474   10.572  5396.25  962.880  2332.33  4766.50  5526.60  983.149   86.003   37.194  114.815   10.668 -28.81216 38.69354 
1 1 1    3   29   14 f  102.487   11.178  4445.26  915.087  4059.22  5023.85  4458.51  930.656   92.084   38.957  102.571   11.366 -10.48743 40.58116 
1 1 1    3   29   15 o  153.733   11.681 10037.33  1447.24 18129.73  5966.06  9531.36  1491.80  165.754   43.705  149.367   12.413 16.38751 45.43362 
1 1 1    3   29   16 o  131.217   11.905  7401.11  1254.63 12719.70  6069.87  7163.73  1282.32  121.745   45.554  128.771   12.418 -7.026192 47.21658 
1 1 1    3   29   17 o   66.656   17.451  2126.30  955.583   0.0000   0.0000  2126.30  955.583  ?   ?    66.656   17.451 0.000000 17.45098 
1 1 1    3   29   18 o   59.002   18.551  1746.62  990.859   0.0000   0.0000  1746.62  990.859  ?   ?    59.002   18.551 0.000000 18.55134 
1 1 1    3   29   19 o   54.238   20.000  1559.84  1161.63   0.0000   0.0000  1559.84  1161.63  ?   ?    54.238   20.000 0.000000 20.00029 
1 1 1    3   31    0 o  199.075   19.591 16810.01  3125.65   0.0000   0.0000 16810.01  3125.65  ?   ?   199.075   19.591 0.000000 19.59055 
1 1 1    3   31    1 o  172.048   19.768 12605.51  2711.42   0.0000   0.0000 12605.51  2711.42  ?   ?   172.048   19.768 0.000000 19.76838 
1 1 1    3   31    2 o  172.688   19.506 12696.26  2687.07   0.0000   0.0000 12696.26  2687.07  ?   ?   172.688   19.506 0.000000 19.50559 
1 1 1    3   31    3 o  140.304   19.485  8440.21  2159.89   0.0000   0.0000  8440.21  2159.89  ?   ?   140.304   19.485 0.000000 19.48547 
1 1 1    3   31    4 o  200.492   16.906 16935.86  2726.45 19964.27  5388.00 15893.51  3161.02  208.068   32.993  192.535   20.537 15.53302 38.86261 
1 1 1    3   31    5 o  156.781   17.898 10472.10  2237.55 13705.40  4762.63  9556.27  2534.71  169.173   35.789  148.066   21.730 21.10684 41.86927 
1 1 1    3   31    6 o  235.613   17.768 23558.49  3374.16 30865.24  6600.25 20973.31  3925.95  258.019   32.206  219.507   22.338 38.51163 39.19447 
1 1 1    3   31    7 o  262.158   17.810 29244.00  3768.70 32825.73  7010.53 27788.21  4469.44  263.423   33.537  252.504   22.020 10.91852 40.11968 
1 1 1    3   31    8 o  320.136   19.798 44229.70  5120.98 48425.14  9554.47 42538.70  6065.84  310.918   38.682  309.316   24.349 1.602875 45.70770 
1 1 1    3   31    9 o  190.915   19.181 15842.07  2933.13 16621.16  5644.06 15553.81  3433.14  177.519   40.103  186.421   23.181 -8.901138 46.32090 
1 1 1    3   31   10 o   40.478   17.478  -9.9177  1049.33  930.582  3602.41 -97.1156  1096.90   74.477   32.272   40.549   17.687 33.92719 36.80083 
1 1 1    3   31   11 o  136.133   9.9955  7721.90  1097.14 11216.07  5468.85  7575.38  1119.90  136.034   43.674  134.716   10.317 1.317444 44.87593 
1 1 1    3   31   12 o  144.811   11.561  8839.59  1347.99 15244.51  6079.94  8508.48  1382.39  153.730   45.502  141.798   12.123 11.93147 47.08886 
1 1 1    3   31   13 o   42.605   13.188  776.393  502.966  6207.32  5571.14  731.764  505.028  100.016   41.578   41.629   13.262 58.38660 43.64233 
1 1 1    3   31   14 o  111.091   11.373  5271.81  1011.39  9586.10  6466.37  5163.62  1023.99  108.077   44.851  109.795   11.665 -1.717163 46.34312 
1 1 1    3   31   15 f   25.058   11.570 -379.5343  550.472  5836.83  5126.16 -452.0545  553.673   89.536   38.647   24.477   11.405 65.05959 40.29462 
1 1 1    3   31   16 o   52.052   16.471  1266.68  779.976   0.0000   0.0000  1266.68  779.976  ?   ?    52.052   16.471 0.000000 16.47072 
1 1 1    3   31   17 f   29.029   13.442 -430.7874  750.926   0.0000   0.0000 -430.7874  750.926  ?   ?    29.029   13.442 0.000000 13.44207 
1 1 1    3   31   18 o   42.159   17.919  560.635  1070.97   0.0000   0.0000  560.635  1070.97  ?   ?    42.159   17.919 0.000000 17.91881 
1 1 1    3   33    0 o  162.115   32.791 12539.37  4167.99   0.0000   0.0000 12539.37  4167.99  ?   ?   162.115   32.791 0.000000 32.79053 
1 1 1    3   33    1 o   98.212   34.736  4408.07  3459.75   0.0000   0.0000  4408.07  3459.75  ?   ?    98.212   34.736 0.000000 34.73610 
1 1 1    3   33    2 o  149.186   38.073 11255.42  4627.25   0.0000   0.0000 11255.42  4627.25  ?   ?   149.186   38.073 0.000000 38.07259 
1 1 1    3   33    3 o   79.575   26.530  2781.88  2008.94   0.0000   0.0000  2781.88  2008.94  ?   ?    79.575   26.530 0.000000 26.52986 
1 1 1    3   33    4 o  157.598   22.273 11007.15  2770.77   0.0000   0.0000 11007.15  2770.77  ?   ?   157.598   22.273 0.000000 22.27330 
1 1 1    3   33    5 o  289.590   24.337 37485.84  5669.47   0.0000   0.0000 37485.84  5669.47  ?   ?   289.590   24.337 0.000000 24.33696 
1 1 1    3   33    6 o  231.525   19.630 23337.88  3655.57 29274.27  7484.63 21478.17  4189.22  236.375   40.451  218.486   24.010 17.88882 47.04016 
1 1 1    3   33    7 o   76.807   23.556  2688.35  1608.82 12378.05  4804.04  1464.37  1707.41  151.971   38.798   63.348   24.060 88.62354 45.65287 
1 1 1    3   33    8 o  175.614   20.210 13683.52  2829.29 15560.83  5841.79 13108.22  3233.88  163.993   43.251  168.795   24.295 -4.802139 49.60741 
1 1 1    3   33    9 o  260.000   21.729 30471.70  4545.18 30227.88  9335.61 30547.45  5203.54  208.344   54.545  255.821   25.386 -47.47749 60.16317 
1 1 1    3   33   10 o  170.827   24.562 13768.63  3308.87 14664.64  7535.73 13554.62  3682.89  137.808   50.916  165.804   28.376 -27.99602 58.28973 
1 1 1    3   33   11 o  184.824   10.818 14369.05  1616.34 27299.99  6713.64 13573.42  1665.33  215.637   39.810  179.209   11.505 36.42841 41.43961 
1 1 1    3   33   12 o   94.383   10.674  3791.86  803.644  7547.24  6955.05  3741.04  809.063  100.009   44.054   93.676   10.837 6.333260 45.36708 
1 1 1    3   33   13 o  130.544   11.226  7296.14  1178.37 13499.12  7869.87  7153.88  1191.81  110.798   47.855  129.101   11.490 -18.30299 49.21461 
1 1 1    3   33   14 o   39.787   14.312  633.772  589.673   0.0000   0.0000  633.772  589.673  ?   ?    39.787   14.312 0.000000 14.31172 
1 1 1    3   33   15 o   61.634   15.035  1797.45  745.722   0.0000   0.0000  1797.45  745.722  ?   ?    61.634   15.035 0.000000 15.03504 
1 1 1    3   33   16 o   63.429   16.294  2003.10  843.659   0.0000   0.0000  2003.10  843.659  ?   ?    63.429   16.294 0.000000 16.29446 
1 1 1    3   35    0 o  170.408   23.389 13165.49  3150.89   0.0000   0.0000 13165.49  3150.89  ?   ?   170.408   23.389 0.000000 23.38907 
1 1 1    3   35    1 o   55.573   24.282   22.794  2075.37   0.0000   0.0000   22.794  2075.37  ?   ?    55.573   24.282 0.000000 24.28204 
1 1 1    3   35    2 o  104.033   29.643  5316.89  2625.39   0.0000   0.0000  5316.89  2625.39  ?   ?   104.033   29.643 0.000000 29.64333 
1 1 1    3   35    3 o  239.065   24.960 26238.94  4773.58   0.0000   0.0000 26238.94  4773.58  ?   ?   239.065   24.960 0.000000 24.95978 
1 1 1    3   35    4 o  284.494   26.081 37643.47  5957.71   0.0000   0.0000 37643.47  5957.71  ?   ?   284.494   26.081 0.000000 26.08130 
1 1 1    3   35    5 o  101.160   37.061  5414.12  3979.44  6259.53  5532.52  4507.87  5728.13  106.102   42.428   98.186   41.572 7.915695 59.39966 
1 1 1    3   35    6 o   75.926   33.546  999.684  4062.85  330.184  5729.01  1677.06  5762.60   81.995   37.665   86.441   38.944 -4.446228 54.17861 
1 1 1    3   35    7 o   94.386   39.559  4482.22  5102.29  5356.64  6398.61  2955.34  8455.29   99.615   43.087   95.733   44.594 3.881630 62.00910 
1 1 1    3   35    8 o  149.062   59.830 24554.37 11046.77   0.0000   0.0000 24554.37 11046.77  ?   ?   149.062   59.830 0.000000 59.82970 
1 1 1    3   35    9 o   90.510   43.946  1472.03 10147.85   0.0000   0.0000  1472.03 10147.85  ?   ?    90.510   43.946 0.000000 43.94643 
1 1 1    3   35   10 o   76.608   38.518 -8834.9805 10725.79   0.0000   0.0000 -8834.9805 10725.79  ?   ?    76.608   38.518 0.000000 38.51769 
1 1 1    3   35   11 o   76.910   10.925  2555.38  663.064   0.0000   0.0000  2555.38  663.064  ?   ?    76.910   10.925 0.000000 10.92496 
1 1 1    3   35   12 o   74.253   11.309  2412.79  660.284   0.0000   0.0000  2412.79  660.284  ?   ?    74.253   11.309 0.000000 11.30877 
1 1 1    3   35   13 o   47.264   14.521  1030.82  611.098   0.0000   0.0000  1030.82  611.098  ?   ?    47.264   14.521 0.000000 14.52145 
1 1 1    3   35   14 o   27.315   12.494 -279.9904  621.210   0.0000   0.0000 -279.9904  621.210  ?   ?    27.315   12.494 0.000000 12.49390 
1 1 1    3   37    0 o  135.167   32.129  9636.54  3474.38   0.0000   0.0000  9636.54  3474.38  ?   ?   135.167   32.129 0.000000 32.12914 
1 1 1    3   37    1 o   72.137   28.805  2055.37  2546.05   0.0000   0.0000  2055.37  2546.05  ?   ?    72.137   28.805 0.000000 28.80452 
1 1 1    3   37    2 o  148.472   30.298 11303.30  3528.94   0.0000   0.0000 11303.30  3528.94  ?   ?   148.472   30.298 0.000000 30.29831 
1 1 1    3   37    3 o  109.140   33.343  6581.90  3226.97   0.0000   0.0000  6581.90  3226.97  ?   ?   109.140   33.343 0.000000 33.34262 
1 1 1    3   37    4 o  141.269   32.435 10742.46  3641.90   0.0000   0.0000 10742.46  3641.90  ?   ?   141.269   32.435 0.000000 32.43493 
1 1 1    3   37    5 o   96.678   32.637  5220.71  3040.43   0.0000   0.0000  5220.71  3040.43  ?   ?    96.678   32.637 0.000000 32.63728 
1 1 1    3   37    6 o  102.901   32.066  5995.05  2967.82  7619.45  8817.15  5787.50  3151.73   99.273   46.002   99.980   33.225 -0.7064590 56.74555 
1 1 1    3   37    7 o  114.195   31.740  7439.08  3049.07 10637.95  8991.06  7023.38  3241.14  103.049   47.281  108.607   33.455 -5.558464 57.91981 
1 1 1    3   37    8 o   70.762   28.065  2416.29  2401.89  5599.60  8554.63  2143.86  2502.56   88.734   42.376   69.033   28.195 19.70021 50.89867 
1 1 1    3   37    9 o   42.356   20.264 -1737.0690  1974.62 -2948.1890  8409.35 -1666.3950  2031.42   72.319   36.019   43.316   20.676 29.00260 41.53170 
1 1 1    3   37   10 o   34.899   16.990 -2067.7900  1543.96 -752.3159  8794.55 -2109.6230  1568.31   72.207   36.099   35.097   17.094 37.11026 39.94149 
1 1 1    3   37   11 o   83.553   10.714  3058.89  710.138   0.0000   0.0000  3058.89  710.138  ?   ?    83.553   10.714 0.000000 10.71430 
1 1 1    3   37   12 o   74.815   11.464  2513.77  674.199   0.0000   0.0000  2513.77  674.199  ?   ?    74.815   11.464 0.000000 11.46370 
1 1 1    3   39    0 o  213.361   34.283 26431.63  5738.14   0.0000   0.0000 26431.63  5738.14  ?   ?   213.361   34.283 0.000000 34.28310 
1 1 1    3   39    1 o   74.801   31.800  2575.01  3374.53   0.0000   0.0000  2575.01  3374.53  ?   ?    74.801   31.800 0.000000 31.80018 
1 1 1    3   39    2 o  124.149   37.771 10284.04  4147.19   0.0000   0.0000 10284.04  4147.19  ?   ?   124.149   37.771 0.000000 37.77053 
1 1 1    3   39    3 o   75.626   31.882  2874.63  3345.70   0.0000   0.0000  2874.63  3345.70  ?   ?    75.626   31.882 0.000000 31.88190 
1 1 1    3   39    4 o  126.748   38.048 11097.56  4228.99   0.0000   0.0000 11097.56  4228.99  ?   ?   126.748   38.048 0.000000 38.04768 
1 1 1    3   39    5 o   68.467   29.956  1931.39  3168.16   0.0000   0.0000  1931.39  3168.16  ?   ?    68.467   29.956 0.000000 29.95639 
1 1 1    3   39    6 o   54.760   25.593 -497.1841  2822.26   0.0000   0.0000 -497.1841  2822.26  ?   ?    54.760   25.593 0.000000 25.59339 
1 1 1    3   39    7 o   41.500   20.414 -3246.1919  2409.87 -8531.0322 10957.50 -2977.5791  2470.35   67.597   34.494   42.834   20.989 24.76257 40.37806 
1 1 1    3   39    8 o   71.530   29.811  3312.34  2874.10   0.0000   0.0000  3312.34  2874.10  ?   ?    71.530   29.811 0.000000 29.81080 
1 1 1    3   39    9 o   55.734   25.613  787.032  2653.15   0.0000   0.0000  787.032  2653.15  ?   ?    55.734   25.613 0.000000 25.61298 
1 1 1    3   39   10 o   73.878   31.363  4899.50  3274.21   0.0000   0.0000  4899.50  3274.21  ?   ?    73.878   31.363 0.000000 31.36334 
1 1 1    3   41    0 o   72.288   32.658  3507.80  4085.17   0.0000   0.0000  3507.80  4085.17  ?   ?    72.288   32.658 0.000000 32.65827 
1 1 1    3   41    1 o   72.293   31.684  3504.99  3557.25   0.0000   0.0000  3504.99  3557.25  ?   ?    72.293   31.684 0.000000 31.68366 
1 1 1    3   41    2 o   70.950   32.206  3324.73  4029.11   0.0000   0.0000  3324.73  4029.11  ?   ?    70.950   32.206 0.000000 32.20648 
1 1 1    3   41    3 o   58.830   28.144   14.025  3807.90   0.0000   0.0000   14.025  3807.90  ?   ?    58.830   28.144 0.000000 28.14375 
1 1 1    3   41    4 o  110.999   42.279 14253.01  5281.99   0.0000   0.0000 14253.01  5281.99  ?   ?   110.999   42.279 0.000000 42.27931 
1 1 1    3   41    5 o   72.040   31.942  4343.77  3715.34   0.0000   0.0000  4343.77  3715.34  ?   ?    72.040   31.942 0.000000 31.94161 
1 1 1    3   41    6 o   41.605   20.792 -4203.3970  2904.65   0.0000   0.0000 -4203.3970  2904.65  ?   ?    41.605   20.792 0.000000 20.79158 
1 1 1    4    0    1 o   78.803   6.6666  2576.01  419.543  2651.24  595.886  2502.06  590.792   79.052   9.6706   76.589   9.9665 0.000000 0.000000 
1 1 1    4    0    2 o  421.768   20.823 73063.25  7091.57 74276.44 10032.33 71851.68 10025.65  422.831   29.553  415.601   30.071 0.000000 0.000000 
1 1 1    4    0    3 o  501.201   24.559 103309.90  9939.97 100843.90 14055.54 105777.00 14058.93  491.613   35.642  504.006   34.733 0.000000 0.000000 
1 1 1    4    0    4 o  592.333   28.882 144451.59 13815.38 144273.50 19536.29 144629.70 19539.52  587.661   41.415  588.415   41.367 0.000000 0.000000 
1 1 1    4    0    6 o  154.488   9.1871  9795.60  1143.09 11407.57  1616.07  8181.60  1617.09  166.259   12.119  139.641   14.630 0.000000 0.000000 
1 1 1    4    0    7 o  290.607   14.905 34583.52  3495.83 35122.82  4942.08 34043.46  4945.61  291.627   21.126  286.949   21.504 0.000000 0.000000 
1 1 1    4    0    8 o  872.314   42.132 312789.09 29682.71 324688.50 41975.63 300887.41 41979.77  883.696   59.107  849.351   61.617 0.000000 0.000000 
1 1 1    4    0    9 o   90.777   7.8018  3419.63  565.284  3506.22  826.292  3343.46  775.034   90.702   11.766   88.657   11.262 0.000000 0.000000 
1 1 1    4    0   10 o  685.257   33.238 192713.91 18394.89 206763.59 26015.92 178667.70 26012.70  706.703   45.779  655.104   49.555 0.000000 0.000000 
1 1 1    4    0   11 f  188.658   10.913 14603.31  1658.90 18826.49  2360.27 10480.56  2332.04  213.928   13.717  157.182   19.011 0.000000 0.000000 
1 1 1    4    0   12 o  549.098   38.908 125735.30 17146.98 125735.30 17146.98   0.0000   0.0000  549.098   38.908  549.098   38.908 0.000000 0.000000 
1 1 1    4    0   13 o   63.617   11.879  1806.91  550.880  1150.75  804.159  2387.10  756.176   43.998   20.374   72.723   14.411 0.000000 0.000000 
1 1 1    4    0   14 o  478.472   23.719 94250.56  9163.15 98174.67 12982.02 90354.59 12935.40  485.208   33.312  464.652   34.732 0.000000 0.000000 
1 1 1    4    0   15 o   79.199   9.9658  2668.42  613.320  3002.52  905.906  2385.68  833.360   82.049   15.108   71.530   16.484 0.000000 0.000000 
1 1 1    4    0   16 o  110.811   10.120  5117.06  893.042  6560.67  1364.61  4035.65  1181.08  124.654   13.928   95.397   16.805 0.000000 0.000000 
1 1 1    4    0   17 o  307.653   16.366 38960.55  4061.89 37430.42  5803.16 40430.22  5687.34  298.985   24.272  311.499   22.766 0.000000 0.000000 
1 1 1    4    0   18 o  302.881   16.072 37817.56  3927.15 40427.87  5645.83 35370.71  5466.19  311.009   22.633  290.222   23.553 0.000000 0.000000 
1 1 1    4    0   19 o  159.308   11.736 10528.09  1499.14 10701.68  2343.53 10407.85  1950.39  157.950   19.001  157.061   15.650 0.000000 0.000000 
1 1 1    4    0   20 o  219.592   13.389 20001.11  2366.91 23991.36  3648.22 17100.67  3110.37  238.312   19.138  200.265   19.556 0.000000 0.000000 
1 1 1    4    0   21 o  223.561   13.405 20788.19  2413.23 24908.83  3684.84 17693.51  3193.33  242.226   19.004  203.007   19.806 0.000000 0.000000 
1 1 1    4    0   22 o  146.204   12.974  9021.34  1512.24 11035.72  2720.30  8120.41  1819.25  156.712   22.782  136.523   17.145 0.000000 0.000000 
1 1 1    4    0   23 o   46.144   20.701  1303.92  827.824  468.595  1868.07  1508.05  923.446   40.792   25.905   49.710   21.856 0.000000 0.000000 
1 1 1    4    0   24 o   95.087   18.201  4212.94  1256.07  7820.29  2747.39  3259.69  1412.31  120.477   32.496   76.512   25.512 0.000000 0.000000 
1 1 1    4    0   25 o   41.477   21.541  1142.77  940.922   0.0000   0.0000  1142.77  940.922   41.477   21.541   41.477   21.541 0.000000 0.000000 
1 1 1    4    0   26 o   28.661   18.013  312.722  877.490   0.0000   0.0000  312.722  877.490   28.661   18.013   28.661   18.013 0.000000 0.000000 
1 1 1    4    2    1 o  203.265   7.7395 16794.77  1277.37 15956.69  1804.44 17636.64  1808.51  197.670   11.289  207.901   10.750 -10.23093 15.58894 
1 1 1    4    2    4 o  556.823   19.026 126611.40  8602.13 123187.00 12168.25 130032.40 12162.25  547.544   27.370  562.734   26.618 -15.18982 38.17871 
1 1 1    4    2    5 o  556.786   18.968 126413.80  8575.24 129697.00 12129.84 123133.40 12124.59  562.787   26.544  548.238   27.237 14.54932 38.03234 
1 1 1    4    2    6 o  200.219   7.6668 16283.35  1246.40 18114.29  1765.20 14462.89  1760.15  211.131   10.297  188.278   11.570 22.85313 15.48814 
1 1 1    4    2    7 o  575.047   19.561 134616.59  9133.48 133988.50 12918.50 135244.41 12914.90  572.912   27.771  575.606   27.633 -2.694153 39.17637 
1 1 1    4    2    8 o  1214.38   47.388 607021.69 46726.63 551287.38 80934.73 634887.00 57227.55  1135.19   88.507  1238.19   56.922 -103.0043 105.2307 
1 1 1    4    2    9 o  1147.49   38.566 539332.38 35932.87 547965.62 50818.41 530700.38 50815.09  1151.63   54.346  1133.02   55.235 18.61292 77.48847 
1 1 1    4    2   10 f  421.877   14.538 72366.79  4979.92 72080.28  7044.20 72653.05  7041.15  420.718   20.621  422.392   20.530 -1.673920 29.09802 
1 1 1    4    2   11 o  236.363   8.9234 22701.28  1712.57 24967.25  2424.30 20444.14  2419.58  247.790   12.049  223.785   13.377 24.00496 18.00380 
1 1 1    4    2   12 o  1010.21   49.879 431816.91 40913.49 433219.81 57865.54 430414.41 57855.29  987.699   72.664  984.190   72.917 3.508606 102.9410 
1 1 1    4    2   13 o  639.311   21.912 167626.50 11374.43 163525.00 16084.11 171729.80 16087.64  627.247   31.683  643.935   30.769 -16.68719 44.16500 
1 1 1    4    2   14 f  229.269   8.8864 21381.96  1654.28 20305.90  2340.61 22455.99  2338.40  222.804   12.994  234.425   12.328 -11.62093 17.91209 
1 1 1    4    2   15 o  304.998   11.116 37903.20  2752.85 38679.43  3890.59 37124.94  3895.67  307.170   15.651  300.852   16.005 6.318726 22.38551 
1 1 1    4    2   16 o  257.847   9.8609 27084.52  2064.52 26264.20  2923.57 27900.47  2915.79  253.043   14.288  260.916   13.812 -7.872955 19.87251 
1 1 1    4    2   17 o  337.972   12.221 46670.87  3353.64 45176.73  4737.99 48171.04  4747.54  330.910   17.698  342.322   17.080 -11.41190 24.59582 
1 1 1    4    2   18 o  228.107   9.2886 21230.06  1720.38 20335.01  2424.27 22138.09  2441.79  222.236   13.499  232.024   13.013 -9.787842 18.75001 
1 1 1    4    2   19 o  321.505   11.942 42498.31  3117.52 44836.32  4405.32 40152.81  4412.38  327.929   16.599  309.771   17.615 18.15826 24.20373 
1 1 1    4    2   20 o  278.507   10.820 31963.47  2446.72 34027.22  3453.73 29884.21  3466.68  285.077   14.973  266.479   16.097 18.59738 21.98451 
1 1 1    4    2   21 o  114.869   8.2814  5445.59  767.224  6640.52  1081.67  4235.76  1088.40  126.275   10.649   99.708   13.815 26.56668 17.44289 
1 1 1    4    2   22 o  110.110   8.9929  5039.45  797.001  4670.21  1102.63  5443.43  1153.34  104.545   13.290  113.180   12.774 -8.635384 18.43322 
1 1 1    4    2   23 o  224.658   10.314 21099.92  1881.38 23037.00  2694.29 19256.61  2628.27  231.206   14.424  210.384   15.495 20.82269 21.16920 
1 1 1    4    2   24 o   96.521   10.305  3970.54  795.171  3509.06  1083.34  4509.58  1170.84   88.001   15.739  100.578   14.778 -12.57716 21.58933 
1 1 1    4    2   25 o   59.887   14.595  1673.16  703.193  1826.23  946.175  1484.29  1050.99   61.085   17.913   55.591   19.180 5.493877 26.24428 
1 1 1    4    2   26 o  167.118   12.324 12667.75  1660.56 12880.24  2304.33 12438.19  2395.06  159.325   18.136  154.141   19.578 5.183807 26.68695 
1 1 1    4    4    2 o  420.245   15.672 72033.52  5347.61 85664.94  9323.95 65351.61  6527.99  455.918   25.286  399.167   20.207 56.75085 32.36832 
1 1 1    4    4    4 o  569.868   19.330 132543.09  8944.45 131570.30 12647.62 133516.50 12651.10  566.241   27.509  570.457   27.313 -4.215454 38.76489 
1 1 1    4    4    5 o  970.297   38.050 388096.91 29978.01 400485.91 51942.75 381909.31 36708.60  968.817   66.432  958.651   47.159 10.16632 81.46902 
1 1 1    4    4    6 o  708.799   24.004 204914.41 13814.92 206515.50 19540.95 203314.50 19533.55  709.927   33.900  704.355   34.155 5.572449 48.12197 
1 1 1    4    4    7 o  119.489   5.6348  5797.70  546.690  6357.39  776.901  5248.73  769.425  124.874   7.6998  113.364   8.4191 11.51063 11.40910 
1 1 1    4    4    8 o  1342.77   52.399 744103.62 57129.85 685605.62 98945.03 773358.62 69971.89  1260.89   97.400  1363.89   63.184 -102.9996 116.0989 
1 1 1    4    4    9 o  650.361   21.882 172223.30 11555.42 171475.80 16343.82 172970.41 16339.86  647.984   31.064  650.820   30.921 -2.835388 43.82959 
1 1 1    4    4   10 o  193.505   7.5397 15208.39  1184.64 15225.16  1679.72 15191.79  1670.96  193.269   10.746  193.060   10.701 0.2090759 15.16579 
1 1 1    4    4   11 o  478.282   16.381 93175.95  6361.56 92181.85  8998.22 94169.32  8995.00  474.922   23.334  480.050   23.077 -5.127350 32.81819 
1 1 1    4    4   12 o  702.519   34.295 204632.59 19562.61 204322.20 27680.10 204942.41 27651.34  692.662   49.543  693.808   49.407 -1.146057 69.96819 
1 1 1    4    4   13 o   39.974   9.4264  676.204  300.981  577.206  402.970  801.117  452.653   37.838   11.820   43.750   12.254 -5.912270 17.02557 
1 1 1    4    4   14 o  402.141   14.137 65987.94  4616.15 68263.05  6527.94 63712.45  6528.50  408.045   19.703  393.536   20.502 14.50955 28.43474 
1 1 1    4    4   15 o  200.103   8.2313 16289.33  1337.40 16570.28  1883.66 16003.74  1899.18  201.292   11.574  197.771   11.882 3.521057 16.58697 
1 1 1    4    4   16 o  216.241   8.7487 19036.47  1536.10 18055.55  2155.07 20049.55  2190.11  209.897   12.705  221.296   12.236 -11.39864 17.63904 
1 1 1    4    4   17 o   20.078   9.1482 -213.3820  328.956 -192.5632  435.216 -241.1259  502.414   24.164   10.809   25.729   11.554 -1.565878 15.82143 
1 1 1    4    4   18 o  223.514   9.1137 20384.86  1654.01 21419.09  2340.40 19352.87  2337.84  228.235   12.679  216.762   13.348 11.47296 18.40981 
1 1 1    4    4   19 o   83.138   8.6603  2855.78  576.036  2552.69  787.404  3204.75  844.907   77.697   12.936   87.424   12.238 -9.726921 17.80755 
1 1 1    4    4   20 o  269.745   10.620 29981.83  2325.94 28918.17  3272.63 31067.55  3306.39  262.369   15.430  272.213   15.017 -9.843750 21.53132 
1 1 1    4    4   21 o   52.851   12.860  1211.31  546.615  754.381  662.040  2189.93  968.867   44.050   15.221   70.354   17.122 -26.30357 22.90991 
1 1 1    4    4   22 o  232.272   10.083 22395.21  1901.68 20895.58  2641.60 24008.47  2739.86  221.156   14.796  237.520   14.273 -16.36415 20.55810 
1 1 1    4    4   23 o   80.905   12.333  2827.40  784.571  2727.88  1004.10  2983.41  1257.18   77.779   16.415   80.017   19.523 -2.238388 25.50671 
1 1 1    4    4   24 o  124.507   9.8042  6561.13  983.141  4632.52  1313.13  9021.27  1483.08  100.680   16.645  144.138   12.805 -43.45770 21.00050 
1 1 1    4    4   25 o   22.582   10.717 -571.3106  530.244 -488.2134  652.751 -732.5212  909.183   26.517   12.365   30.414   14.313 -3.896383 18.91464 
1 1 1    4    4   26 o   94.285   11.865  4040.65  888.246  3899.37  1151.06  4248.63  1396.58   88.306   16.664   88.722   19.879 -0.4157562 25.94006 
1 1 1    4    6    1 o  750.141   36.663 233836.59 22331.10 231698.09 31577.23 235976.00 31584.65  735.767   53.215  742.918   52.702 -7.150940 74.89535 
1 1 1    4    6    2 o  332.514   17.032 45214.41  4583.11 41290.13  6488.80 49121.10  6474.23  316.265   25.485  345.582   23.207 -29.31760 34.46796 
1 1 1    4    6    3 o  600.346   21.629 147276.41 10543.17 175415.50 18335.08 133375.59 12886.85  650.968   34.815  570.102   27.839 80.86670 44.57661 
1 1 1    4    6    4 o  550.638   21.776 123738.90  9736.00 124288.60 16930.20 123467.30 11900.66  547.611   38.317  549.318   26.681 -1.707092 46.69183 
1 1 1    4    6    5 o  549.707   18.779 123050.20  8381.94 122303.60 11851.31 123797.40 11856.41  547.198   26.674  550.548   26.523 -3.350281 37.61580 
1 1 1    4    6    6 o  587.220   19.879 140391.41  9478.42 141429.30 13401.89 139352.70 13407.13  588.563   28.044  584.200   28.264 4.362732 39.81592 
1 1 1    4    6    7 o  761.583   29.786 236798.20 18418.80 242262.70 31866.14 234056.70 22571.15  764.391   51.645  756.055   36.767 8.336487 63.39612 
1 1 1    4    6    8 o  781.312   30.295 249180.09 19218.86 251526.50 23540.52 244490.09 33281.48  783.943   36.982  767.702   53.730 16.24066 65.22746 
1 1 1    4    6    9 o  115.243   5.9010  5407.19  550.327  5263.61  778.449  5550.65  778.110  113.519   8.5074  116.608   8.2718 -3.089806 11.86582 
1 1 1    4    6   10 o  128.569   6.1748  6713.20  644.613  7360.92  905.662  6048.15  917.698  134.351   8.3433  121.647   9.3629 12.70316 12.54091 
1 1 1    4    6   11 o  243.855   10.304 24178.31  2040.21 21806.10  2494.51 28971.45  3545.83  231.082   13.352  266.115   16.491 -35.03326 21.21858 
1 1 1    4    6   12 o  241.828   10.557 23794.05  2072.84 27283.39  3643.59 22124.33  2520.46  257.878   17.505  232.651   13.399 25.22679 22.04433 
1 1 1    4    6   13 o  433.268   15.071 76604.72  5302.06 76357.11  7501.12 76851.97  7495.37  431.441   21.412  432.854   21.326 -1.413788 30.22085 
1 1 1    4    6   14 f  492.146   17.009 99087.39  6796.83 102474.70  9617.70 95707.90  9606.64  498.685   23.752  481.060   24.677 17.62534 34.25122 
1 1 1    4    6   15 o  201.125   8.4559 16459.66  1380.91 16658.08  1957.02 16262.91  1948.80  201.751   12.001  199.323   12.098 2.428268 17.04076 
1 1 1    4    6   16 o   51.009   8.8246  1089.67  352.263  801.919  478.051  1431.54  521.076   43.864   12.696   58.240   11.427 -14.37595 17.08102 
1 1 1    4    6   17 o   63.996   8.2790  1695.66  420.119  1353.98  555.940  2150.57  641.474   56.454   12.462   71.694   11.401 -15.23967 16.89013 
1 1 1    4    6   18 o  228.596   9.4005 21339.78  1744.84 22111.91  2502.19 20608.94  2434.37  231.635   13.361  223.570   13.473 8.065018 18.97451 
1 1 1    4    6   19 o   96.812   8.2146  3858.07  639.638  3061.99  877.349  4761.28  934.523   85.170   13.107  107.118   10.896 -21.94849 17.04463 
1 1 1    4    6   20 o  159.074   8.4771 10404.67  1090.98  8720.80  1520.17 12193.02  1566.62  144.290   13.119  171.422   11.319 -27.13231 17.32686 
1 1 1    4    6   21 o  119.365   8.5114  5888.48  819.528  5302.87  1067.58  6728.71  1278.78  112.287   11.890  126.360   12.633 -14.07295 17.34857 
1 1 1    4    6   22 o  185.877   9.1851 14299.97  1386.27 14807.23  1956.69 13788.75  1964.29  186.986   12.968  180.082   13.533 6.904434 18.74292 
1 1 1    4    6   23 o  124.088   9.7031  6463.49  969.855  6784.97  1244.42  5966.11  1547.87  125.916   12.330  115.395   17.032 10.52055 21.02642 
1 1 1    4    6   24 o  116.161   10.263  5749.09  958.048  5990.71  1276.14  5437.03  1450.27  116.489   13.758  108.723   16.984 7.765945 21.85657 
1 1 1    4    6   25 o   24.041   11.184 -393.5989  528.922 -606.6812  602.286  324.701  1105.81   24.228   11.477   41.940   18.026 -17.71234 21.36909 
1 1 1    4    6   26 o   55.946   16.202  1598.68  778.319  1598.68  778.319   0.0000   0.0000   55.946   16.202  ?   ?  0.000000 16.20153 
1 1 1    4    8    0 o  317.618   11.594 41030.54  2990.10 41770.39  4236.98 40296.48  4220.35  319.766   16.374  314.030   16.611 5.735748 23.32399 
1 1 1    4    8    1 o  462.543   22.856 87442.06  8583.91 86215.90 12142.12 88667.16 12136.85  456.509   32.979  463.112   32.482 -6.602722 46.28915 
1 1 1    4    8    2 o  642.421   31.264 169441.50 16308.23 165220.20 23079.60 173651.00 23047.08  628.941   45.501  645.343   44.250 -16.40179 63.47016 
1 1 1    4    8    3 o  380.110   19.185 59018.32  5901.97 54897.92  8358.96 63114.54  8334.38  365.203   28.413  392.087   26.332 -26.88348 38.73811 
1 1 1    4    8    4 o  661.445   24.211 178485.70 13002.91 203256.50 22613.21 166249.70 15893.19  701.873   39.844  637.432   30.707 64.44098 50.30350 
1 1 1    4    8    5 o  1227.17   59.518 626974.38 59304.98 625184.38 83904.74 628761.38 83835.13  1206.51   86.216  1210.23   85.872 -3.721069 121.6846 
1 1 1    4    8    6 o  308.520   10.453 38670.50  2618.53 41991.37  3706.53 35361.67  3699.80  321.398   14.203  294.492   15.528 26.90619 21.04370 
1 1 1    4    8    7 o  1030.16   33.933 433781.31 28383.65 442238.59 40138.19 425321.91 40142.91  1036.73   47.682  1016.43   48.640 20.29651 68.11299 
1 1 1    4    8    8 o  657.808   25.893 176403.30 13829.76 185648.80 16936.18 157901.00 23958.77  674.230   30.936  617.430   48.171 56.80017 57.24976 
1 1 1    4    8    9 o  630.210   21.409 161811.00 10955.02 155429.30 15494.55 168189.70 15490.91  615.690   31.095  641.464   29.742 -25.77368 43.02850 
1 1 1    4    8   10 o  511.746   17.191 106684.40  7143.40 108651.30 10102.74 104717.80 10101.85  515.589   24.132  506.106   24.582 9.482849 34.44777 
1 1 1    4    8   11 o  249.963   11.025 25418.88  2237.66 23378.88  2738.04 29521.45  3882.88  239.148   14.164  268.337   17.924 -29.18993 22.84484 
1 1 1    4    8   12 o  321.699   13.364 42172.70  3490.68 45112.41  6126.18 40759.41  4247.68  330.753   22.953  315.508   16.640 15.24527 28.35009 
1 1 1    4    8   13 o  460.440   16.018 86603.17  5988.37 86086.83  8469.20 87119.44  8468.45  457.626   22.793  460.397   22.653 -2.771118 32.13532 
1 1 1    4    8   14 o   17.926   8.0371 -114.7653  242.137  226.785  340.331 -464.8899  344.576   28.269   10.740   17.858   8.5218 10.41035 13.71052 
1 1 1    4    8   15 o  345.864   12.626 48824.54  3545.87 47896.99  5012.97 49753.30  5016.27  341.125   18.164  347.779   17.824 -6.653137 25.44832 
1 1 1    4    8   16 o  236.636   9.4874 22816.04  1822.91 24912.13  2580.43 20727.86  2575.55  246.553   12.935  224.609   14.195 21.94402 19.20461 
1 1 1    4    8   17 o  133.320   6.9976  7253.98  754.852  7847.44  1052.67  6625.79  1083.02  138.398   9.4237  126.949   10.604 11.44857 14.18615 
1 1 1    4    8   18 o  461.308   16.087 88087.11  6025.82 95922.28  8537.38 80308.93  8506.28  477.395   22.025  434.651   24.198 42.74435 32.72070 
1 1 1    4    8   19 o  109.927   7.9332  4965.69  703.342  4351.28  961.150  5673.97  1031.97  102.082   11.814  116.933   10.998 -14.85097 16.14123 
1 1 1    4    8   20 o   92.188   8.2267  3511.99  609.328  4072.77  790.651  2691.80  956.198   98.947   9.9773   78.774   15.502 20.17312 18.43498 
1 1 1    4    8   21 o  220.038   9.3412 19985.48  1668.92 17526.78  2315.37 22644.36  2407.77  203.499   14.100  232.216   12.820 -28.71695 19.05614 
1 1 1    4    8   22 o   26.671   11.224   52.756  413.451  367.448  476.962 -898.4783  829.250   33.806   12.746   28.478   13.483 5.328030 18.55387 
1 1 1    4    8   23 o   43.617   13.171  826.990  505.681  920.633  565.626  454.121  1128.68   45.893   13.946   45.364   18.775 0.5296097 23.38753 
1 1 1    4    8   24 o   55.575   12.220  1380.11  536.415  2044.50  626.897 -436.0881  1036.50   68.151   11.753   35.331   16.152 32.81937 19.97605 
1 1 1    4    8   25 o   96.279   11.755  4124.64  899.875  3381.34  1029.41  6533.05  1852.99   84.362   15.603  111.751   21.197 -27.38985 26.32023 
1 1 1    4   10    0 o  541.629   18.716 119470.00  8230.80 120781.60 11654.37 118164.80 11625.92  543.761   26.396  537.810   26.623 5.951111 37.49073 
1 1 1    4   10    3 o  657.000   31.833 176564.80 16981.57 176114.80 24038.70 177013.09 23992.51  652.058   45.692  653.786   45.479 -1.727417 64.46797 
1 1 1    4   10    4 o  188.038   11.151 14417.54  1694.99 12964.16  2417.60 15822.62  2377.09  177.718   16.960  196.697   14.997 -18.97815 22.63912 
1 1 1    4   10    5 o  704.599   33.156 202945.50 18968.77   0.0000   0.0000 202945.50 18968.77  ?   ?   704.599   33.156 0.000000 33.15576 
1 1 1    4   10    6 o  1245.39   46.567 637743.12 47089.00 748376.31 81674.55 582657.81 57631.82  1333.35   75.753  1183.97   60.147 149.3801 96.72728 
1 1 1    4   10    7 o  580.748   27.686 137569.41 13055.34 152353.00 18521.47 122971.00 18405.15  608.814   37.652  545.884   41.843 62.92969 56.28936 
1 1 1    4   10    8 o  1208.93   47.149 602988.31 46282.23 654758.50 80257.59 577194.38 56650.63  1238.93   80.212  1175.84   59.530 63.09290 99.88850 
1 1 1    4   10    9 o  221.016   8.1746 19845.29  1466.99 19365.68  2073.34 20326.13  2075.95  217.932   11.760  223.308   11.488 -5.375763 16.44030 
1 1 1    4   10   10 o  412.091   14.823 69173.73  4959.77 67334.06  6079.70 72834.11  8575.80  406.206   18.433  420.800   25.215 -14.59351 31.23456 
1 1 1    4   10   11 o  303.972   12.018 37619.97  2966.25 41300.64  4195.63 33941.86  4194.18  317.701   16.320  287.661   18.048 30.04047 24.33241 
1 1 1    4   10   12 o  603.522   20.705 149307.91 10146.05 152150.09 14354.52 146470.20 14342.85  606.387   29.154  594.749   29.700 11.63812 41.61831 
1 1 1    4   10   13 o  286.560   10.321 33430.74  2401.57 34341.76  3402.50 32526.29  3390.21  290.053   14.447  281.852   14.866 8.200806 20.72994 
1 1 1    4   10   14 o  353.923   12.480 51096.85  3586.40 50801.43  5073.53 51391.89  5070.33  351.591   17.830  354.105   17.635 -2.514526 25.07785 
1 1 1    4   10   15 o  192.336   8.0499 15054.05  1257.17 13997.00  1761.36 16151.76  1794.92  184.842   11.797  198.699   11.171 -13.85756 16.24677 
1 1 1    4   10   16 o  213.900   9.4064 18647.28  1633.70 20586.29  2300.64 16675.04  2320.27  224.037   12.699  201.270   14.291 22.76717 19.11803 
1 1 1    4   10   17 f  305.262   11.458 38124.86  2839.97 37817.18  4020.08 38431.39  4012.59  302.375   16.436  304.885   16.268 -2.509766 23.12487 
1 1 1    4   10   18 o   66.456   8.0670  1829.41  426.371  2544.57  550.047  752.797  674.880   78.419   8.7898   44.587   15.370 33.83225 17.70615 
1 1 1    4   10   19 o   61.711   8.9532  1593.17  435.526  2139.72  540.755  584.030  734.786   71.580   9.5416   42.414   15.854 29.16602 18.50362 
1 1 1    4   10   20 o   26.633   10.530  164.699  337.185  135.454  388.896  253.255  676.732   27.530   11.164   36.288   14.723 -8.757935 18.47651 
1 1 1    4   10   21 f   78.508   9.9891  2592.18  622.339  2498.51  773.007  2764.75  1049.20   76.182   12.961   78.893   16.888 -2.711151 21.28854 
1 1 1    4   10   22 o   94.683   8.8059  3744.28  669.233  3758.15  831.632  3718.80  1127.32   94.102   11.098   91.706   15.704 2.395493 19.22963 
1 1 1    4   10   23 o   46.374   12.747  952.425  494.832  1097.24  569.987  509.350  997.018   49.576   13.703   43.940   17.855 5.635151 22.50666 
1 1 1    4   10   24 o   77.920   21.252  3103.55  1381.72   0.0000   0.0000  3103.55  1381.72  ?   ?    77.920   21.252 0.000000 21.25165 
1 1 1    4   10   25 o   42.783   18.759  318.560  1248.25   0.0000   0.0000  318.560  1248.25  ?   ?    42.783   18.759 0.000000 18.75887 
1 1 1    4   12    0 o  1028.51   49.704 436730.00 41508.63   0.0000   0.0000 436730.00 41508.63  ?   ?   1028.51   49.704 0.000000 49.70397 
1 1 1    4   12    1 o  1161.19   45.765 555118.12 43149.79 543714.38 74731.15 560821.38 52849.78  1129.42   82.051  1163.15   55.959 -33.73132 99.31625 
1 1 1    4   12    2 o  803.092   38.800 264413.69 25300.64 258069.30 35795.93 270747.09 35765.12  787.275   56.371  806.976   54.910 -19.70178 78.69400 
1 1 1    4   12    4 o  663.488   46.167 181826.80 24716.38   0.0000   0.0000 181826.80 24716.38  ?   ?   663.488   46.167 0.000000 46.16654 
1 1 1    4   12    5 o  1419.35   68.693 840725.19 79166.37 869961.69 111997.60 811529.88 111918.70  1421.50   97.626  1369.73  101.350 51.77429 140.7219 
1 1 1    4   12    6 o  724.124   34.508 214484.00 20289.26 234599.09 28748.36 194522.20 28638.63  753.448   47.230  684.518   51.913 68.92999 70.18304 
1 1 1    4   12    7 o  529.622   20.566 114240.50  8844.01 131080.09 15464.96 106056.90 10780.90  564.795   33.879  509.139   26.167 55.65558 42.80761 
1 1 1    4   12    8 o  1204.55   49.239 603857.62 48158.03 609123.38 83558.09 601238.62 58929.91  1175.93   88.154  1192.73   61.054 -16.80481 107.2319 
1 1 1    4   12    9 o  385.996   18.126 60779.94  5681.03 73400.31  8170.09 48965.70  7904.85  422.778   23.898  344.100   28.550 78.67822 37.23206 
1 1 1    4   12   10 o  298.232   12.555 36217.96  3040.21 38942.14  5418.80 34966.53  3672.72  307.557   21.841  292.396   15.525 15.16156 26.79663 
1 1 1    4   12   11 o  262.423   11.811 28043.43  2516.78 23187.07  4506.48 30244.70  3034.02  236.377   23.804  272.034   13.781 -35.65659 27.50500 
1 1 1    4   12   12 o  373.302   13.422 56828.84  4068.46 57306.52  5761.47 56353.71  5745.89  373.549   19.059  370.398   19.171 3.150909 27.03247 
1 1 1    4   12   13 o  215.638   8.8300 18920.62  1546.05 19778.26  2181.96 18055.90  2190.95  219.904   12.269  209.995   12.912 9.909439 17.81152 
1 1 1    4   12   14 o  222.911   9.0734 20229.28  1642.25 19353.58  2323.65 21103.25  2321.33  217.298   13.233  227.033   12.643 -9.734421 18.30141 
1 1 1    4   12   15 o  331.876   11.527 44953.66  3106.17 45582.11  4400.50 44329.59  4385.11  333.316   16.260  328.668   16.432 4.648041 23.11658 
1 1 1    4   12   16 o  135.075   7.1104  7446.62  777.101  8116.75  1070.19  6699.18  1130.24  140.770   9.4172  127.601   11.017 13.16967 14.49333 
1 1 1    4   12   17 o  242.556   10.051 24058.83  1979.54 25835.41  2823.40 22341.15  2776.19  250.144   13.957  232.315   14.794 17.82921 20.33867 
1 1 1    4   12   18 o  129.113   7.9308  6837.98  827.405  6851.49  1094.92  6819.98  1263.32  128.733   10.568  128.027   12.304 0.7052917 16.21982 
1 1 1    4   12   19 o   83.462   7.7600  2875.99  519.856  2456.50  652.886  3602.66  859.301   76.439   10.822   92.624   11.686 -16.18504 15.92684 
1 1 1    4   12   20 o  138.395   8.2234  7897.19  919.927  7963.92  1225.38  7811.00  1392.54  138.147   11.016  136.189   12.741 1.958389 16.84285 
1 1 1    4   12   21 o  284.767   11.179 33859.01  2584.92 33195.76  3658.86 34519.92  3652.40  277.264   16.324  283.135   15.952 -5.870941 22.82444 
1 1 1    4   12   22 o  114.590   14.350  5722.05  1305.87  3406.83  2899.44  6311.20  1462.62   82.331   31.333  119.827   15.388 -37.49668 34.90777 
1 1 1    4   12   23 o  111.983   16.232  5687.41  1432.91   0.0000   0.0000  5687.41  1432.91  ?   ?   111.983   16.232 0.000000 16.23212 
1 1 1    4   12   24 o   80.129   10.804  2808.94  685.008  2827.36  744.361  2707.08  1750.60   79.840   11.841   69.694   24.702 10.14563 27.39389 
1 1 1    4   12   25 o   25.680   11.523 -126.6067  498.810 -126.6067  498.810   0.0000   0.0000   25.680   11.523  ?   ?  0.000000 11.52316 
1 1 1    4   14    0 o  411.212   20.885 69003.77  6950.40   0.0000   0.0000 69003.77  6950.40  ?   ?   411.212   20.885 0.000000 20.88497 
1 1 1    4   14    1 o  345.441   18.058 48671.39  5047.35   0.0000   0.0000 48671.39  5047.35  ?   ?   345.441   18.058 0.000000 18.05771 
1 1 1    4   14    2 o  1120.58   78.771 530786.81 71215.80   0.0000   0.0000 530786.81 71215.80  ?   ?   1120.58   78.771 0.000000 78.77093 
1 1 1    4   14    3 o  800.310   38.526 262351.00 25034.87 273390.81 35438.70 251353.50 35370.71  811.802   54.073  777.513   56.411 34.28894 78.14150 
1 1 1    4   14    4 f  1219.02   58.589 616387.69 57991.53 655907.50 82061.53 576962.31 81963.37  1242.71   81.783  1161.49   87.553 81.22180 119.8079 
1 1 1    4   14    5 o  941.618   45.373 365184.31 34690.16 373471.91 49109.02 356930.19 49009.74  943.387   64.498  921.493   65.937 21.89417 92.23719 
1 1 1    4   14    6 f  1045.85   50.135 453686.00 42574.67 489702.69 60273.18 417820.59 60146.37  1074.20   69.476  988.008   75.547 86.19434 102.6360 
1 1 1    4   14    7 o  322.799   12.885 42384.32  3377.10 53165.00  6043.11 37488.66  4072.33  360.393   20.739  302.941   16.619 57.45166 26.57611 
1 1 1    4   14    8 o  616.855   29.748 156588.00 14899.55 160432.09 21264.76 152880.91 20882.73  618.691   42.589  603.765   42.876 14.92584 60.43355 
1 1 1    4   14    9 o  161.980   8.4305 10695.45  1104.98 12071.58  2126.24 10186.28  1293.34  171.356   15.448  157.919   10.140 13.43649 18.47862 
1 1 1    4   14   10 o  551.595   21.931 124809.30  9822.54 130316.40 17206.41 122147.00 11963.47  556.595   38.306  544.213   27.074 12.38214 46.90770 
1 1 1    4   14   11 o  844.710   33.904 297800.81 23254.03 295476.59 40484.92 298945.19 28407.64  814.492   61.674  840.542   41.623 -26.05017 74.40548 
1 1 1    4   14   12 o  158.364   8.8364 10235.49  1131.71  9103.87  2219.67 10633.00  1315.55  147.842   18.925  161.293   10.096 -13.45052 21.44960 
1 1 1    4   14   13 o  396.151   16.353 64265.29  5260.01 66300.95  9353.04 63323.64  6361.30  397.693   29.168  391.899   20.058 5.794678 35.39915 
1 1 1    4   14   14 o  298.665   13.007 36446.49  3154.39 37951.37  5727.80 35791.39  3779.10  301.723   23.567  295.106   15.829 6.617798 28.38944 
1 1 1    4   14   15 o   98.131   6.8037  3936.53  538.765  3432.30  709.158  4624.84  828.558   91.239   9.7222  106.062   9.7296 -14.82207 13.75449 
1 1 1    4   14   16 o   91.997   16.716  3598.19  1202.64  4719.54  2399.83  3222.14  1389.74  103.573   27.907   86.341   20.185 17.23236 34.44202 
1 1 1    4   14   17 o  166.315   7.8147 11291.95  1055.31 11313.26  1492.04 11270.63  1492.84  165.636   11.159  165.315   11.187 0.3210297 15.80122 
1 1 1    4   14   18 o  148.002   8.1330  8992.98  973.613  9585.05  1340.78  8332.51  1416.11  152.145   10.926  141.376   12.464 10.76828 16.57474 
1 1 1    4   14   19 o   80.775   7.9456  2700.60  514.381  3095.29  632.804  1931.92  883.118   86.270   9.1745   66.295   16.477 19.97543 18.85946 
1 1 1    4   14   20 o  195.976   11.870 16088.56  1879.97 18895.92  3875.83 15224.86  2149.80  203.413   23.924  189.445   14.076 13.96848 27.75756 
1 1 1    4   14   21 o  133.668   12.288  7588.36  1318.73  7054.92  3552.46  7673.62  1420.20  112.373   35.093  133.961   13.230 -21.58814 37.50391 
1 1 1    4   14   22 o   50.253   11.711  1111.38  469.009  1018.46  507.850  1650.09  1222.79   47.957   12.802   60.386   20.696 -12.42852 24.33583 
1 1 1    4   14   23 o   55.804   10.764  1367.63  470.072  1748.32  494.248 -2240.6270  1521.62   63.609   9.8908   34.204   16.698 29.40555 19.40786 
1 1 1    4   14   24 o  111.926   10.313  5455.19  926.687  5019.82  1041.72  7106.25  2028.65  105.816   12.357  114.865   22.556 -9.049156 25.71920 
1 1 1    4   16    0 o  421.647   21.498 72592.42  7335.53   0.0000   0.0000 72592.42  7335.53  ?   ?   421.647   21.498 0.000000 21.49752 
1 1 1    4   16    1 o  864.643   34.223 305976.19 24026.55 306243.00 41638.18 305842.91 29418.28  855.855   60.303  862.703   41.997 -6.847900 73.48608 
1 1 1    4   16    2 o  1025.19   40.472 431771.41 33689.50 459133.50 58345.54 418085.91 41263.29  1043.36   69.264  1004.22   50.770 39.13824 85.87869 
1 1 1    4   16    3 o  717.242   34.949 210873.00 20353.34 207913.30 28831.14 213813.50 28737.02  706.805   50.571  717.126   49.658 -10.32007 70.87562 
1 1 1    4   16    4 o  1092.62   52.981 497192.50 47003.00 519430.31 66529.80 475031.41 66414.91  1100.91   74.871  1049.91   78.474 51.00256 108.4611 
1 1 1    4   16    5 o  1184.99   58.049 591762.81 55853.45 613198.81 79059.63 570403.62 78917.99  1181.76   82.918  1136.20   86.184 45.55310 119.5953 
1 1 1    4   16    6 o  596.331   29.377 146131.80 14224.32 146272.09 20192.77 145993.70 20040.53  591.406   42.330  590.960   42.039 0.4465332 59.65872 
1 1 1    4   16    7 o  234.659   16.327 22566.48  3091.46  8733.59  4620.22 33780.29  4159.90  142.478   38.862  287.100   17.935 -144.6221 42.80053 
1 1 1    4   16    8 o  379.858   18.720 58993.46  5773.80 40137.37 10231.02 67805.18  6993.96  306.416   42.245  406.285   21.275 -99.86978 47.29952 
1 1 1    4   16    9 o  325.551   12.941 43186.74  3420.66 50060.27  6170.99 40138.00  4109.84  348.639   21.911  313.108   16.221 35.53122 27.26178 
1 1 1    4   16   10 o  198.965   9.7903 16109.58  1581.66 15925.68  3011.60 16179.62  1858.62  196.269   19.141  198.973   11.554 -2.703659 22.35803 
1 1 1    4   16   11 o  577.560   23.915 137583.91 11215.28 130501.90 19694.89 140982.50 13643.48  550.526   44.438  582.577   28.843 -32.05127 52.97760 
1 1 1    4   16   12 o  488.318   20.259 98078.24  8032.84 93002.52 14201.03 100466.40  9740.97  466.769   37.794  492.814   24.343 -26.04459 44.95541 
1 1 1    4   16   13 o  385.654   16.979 61025.26  5316.73 48852.89  9518.64 66545.02  6409.84  337.650   35.238  402.003   19.637 -64.35330 40.34066 
1 1 1    4   16   14 o  146.511   8.8823  8776.53  1051.66 11633.63  2262.40  7988.99  1187.80  167.424   16.872  139.545   10.561 27.87834 19.90516 
1 1 1    4   16   15 o  239.879   11.435 23533.63  2227.24 23995.60  4280.48 23362.12  2608.11  238.819   22.334  238.281   13.536 0.5378418 26.11539 
1 1 1    4   16   16 f  134.741   9.4708  7460.05  1029.58  8216.26  2352.61  7280.91  1145.05  138.182   21.682  132.884   10.703 5.298080 24.17962 
1 1 1    4   16   17 o   82.018   10.445  2807.64  679.787  3982.91  2168.20  2679.52  715.882   93.869   27.000   79.897   11.354 13.97239 29.29041 
1 1 1    4   16   18 o   88.702   11.567  3308.10  813.253  3733.07  2363.09  3251.01  866.162   90.179   28.683   87.665   12.524 2.513939 31.29843 
1 1 1    4   16   19 o   93.518   12.492  3710.44  924.873  8592.99  2602.69  3004.79  989.453  136.808   24.321   83.128   15.220 53.68034 28.69088 
1 1 1    4   16   20 o  222.970   17.002 21618.90  3054.99 17555.99  4860.97 24271.32  3927.58  184.264   33.733  232.327   21.049 -48.06340 39.76110 
1 1 1    4   16   21 o   88.922   9.2081  3321.70  655.206  3229.09  731.239  3698.83  1475.66   87.214   10.540   88.495   20.875 -1.280624 23.38474 
1 1 1    4   16   22 o   53.928   9.5004  1253.46  400.805  1791.40  431.583 -2119.6350  1080.72   65.076   8.3611   27.374   13.505 37.70264 15.88360 
1 1 1    4   16   23 o   32.875   11.500  432.318  378.479  368.260  407.417  835.806  1022.52   31.889   11.828   46.818   18.393 -14.92903 21.86731 
1 1 1    4   16   24 o   35.246   12.606  518.412  456.880  510.519  485.406  579.714  1352.69   35.398   12.947   45.488   19.743 -10.09011 23.60972 
1 1 1    4   18    0 o  451.249   23.044 83383.77  8415.12   0.0000   0.0000 83383.77  8415.12  ?   ?   451.249   23.044 0.000000 23.04390 
1 1 1    4   18    1 o  677.738   27.172 188098.91 14952.70 188116.59 25951.52 188090.09 18294.70  670.103   48.014  676.258   33.318 -6.155273 58.44180 
1 1 1    4   18    2 o  807.771   32.351 268386.59 21218.73 292667.09 36767.72 256262.00 25981.95  831.929   54.736  785.280   40.890 46.64923 68.32276 
1 1 1    4   18    3 o  673.772   32.999 187087.00 18053.12 195592.30 25607.50 178682.59 25455.12  682.506   46.485  651.261   48.485 31.24506 67.16879 
1 1 1    4   18    4 o  487.874   24.736 97802.89  9767.00 96530.97 13886.31 99048.16 13740.09  481.562   35.769  488.120   34.898 -6.557190 49.97291 
1 1 1    4   18    5 o  215.726   19.623 19177.17  3399.65 19177.17  3399.65   0.0000   0.0000  215.726   19.623  ?   ?  0.000000 19.62315 
1 1 1    4   18    6 o  177.255   12.018 12850.72  1719.43 13582.04  2512.77 12206.77  2357.90  181.566   17.252  172.066   17.104 9.500656 24.29300 
1 1 1    4   18    7 o  306.489   16.636 38472.36  4124.51 40377.89  5957.23 36717.96  5716.12  312.649   23.641  298.019   23.821 14.63004 33.56124 
1 1 1    4   18    8 o  272.081   12.762 30167.73  2819.37 27063.71  5192.69 31465.31  3357.34  255.081   25.409  277.277   14.968 -22.19669 29.49018 
1 1 1    4   18    9 o  466.775   20.484 89405.20  7763.42 77932.91 13754.58 94768.66  9404.68  427.793   40.065  478.964   24.262 -51.17044 46.83829 
1 1 1    4   18   10 o   19.237   8.7315 -179.7728  296.077 -1567.1169  922.536 -20.4654  312.614   27.409   13.295   22.421   9.6089 4.987623 16.40377 
1 1 1    4   18   11 o  230.501   12.021 21729.52  2242.07 14443.63  4251.06 24537.24  2638.95  183.945   29.456  244.781   13.328 -60.83612 32.33106 
1 1 1    4   18   12 o  360.383   15.367 53189.64  4496.67 52058.41  8171.10 53681.06  5385.51  351.616   28.875  360.903   18.440 -9.286804 34.26072 
1 1 1    4   18   13 o  346.131   14.849 49104.99  4173.29 50268.13  7647.64 48611.75  4980.15  345.269   27.507  343.196   17.934 2.072418 32.83719 
1 1 1    4   18   14 o  124.280   9.1872  6333.63  920.522  6945.56  2105.18  6188.97  1023.56  127.701   21.035  122.676   10.373 5.024506 23.45391 
1 1 1    4   18   15 o  226.372   11.484 21066.38  2103.89 22278.39  4396.09 20706.31  2396.12  228.150   24.095  223.968   13.235 4.182617 27.49056 
1 1 1    4   18   16 o  195.061   10.985 15693.47  1732.74 15859.30  3882.62 15652.22  1936.26  189.624   25.894  194.410   12.330 -4.786270 28.67954 
1 1 1    4   18   17 o   77.749   15.064  2609.68  916.640  3400.84  2195.04  2442.57  1008.81   86.828   27.647   74.697   17.013 12.13099 32.46275 
1 1 1    4   18   18 o  182.877   14.921 14177.84  2196.25 15226.36  3951.50 13709.15  2641.90  180.769   27.813  177.782   18.576 2.987564 33.44595 
1 1 1    4   18   19 o   97.775   17.866  4247.59  1366.10  5501.11  3061.43  3935.93  1526.50  103.450   32.620   92.743   20.786 10.70717 38.67979 
1 1 1    4   18   20 o   40.840   16.928  294.561  919.551  2347.21  2977.72   78.177  966.805   75.999   30.866   39.366   16.885 36.63317 35.18223 
1 1 1    4   18   21 o   62.365   18.199  1807.55  978.740 -3339.3540  2908.83  2464.64  1039.34   48.315   23.475   72.798   17.745 -24.48267 29.42709 
1 1 1    4   18   22 o   84.456   18.162  3415.47  1208.45   0.0000   0.0000  3415.47  1208.45  ?   ?    84.456   18.162 0.000000 18.16181 
1 1 1    4   18   23 o   77.824   24.361  3552.81  1710.75   0.0000   0.0000  3552.81  1710.75  ?   ?    77.824   24.361 0.000000 24.36089 
1 1 1    4   20    0 o  805.972   40.106 271648.31 26246.29   0.0000   0.0000 271648.31 26246.29  ?   ?   805.972   40.106 0.000000 40.10603 
1 1 1    4   20    1 o  340.627   18.826 47561.99  5186.73   0.0000   0.0000 47561.99  5186.73  ?   ?   340.627   18.826 0.000000 18.82630 
1 1 1    4   20    2 o  487.187   25.253 97804.95  9955.43 101933.30 14059.36 93653.32 14098.92  493.974   35.285  472.710   37.029 21.26373 51.14843 
1 1 1    4   20    3 o  410.992   22.435 69469.85  7458.45 85165.56 10475.68 53334.07 10621.52  453.444   28.599  355.717   37.331 97.72693 47.02653 
1 1 1    4   20    4 o  594.853   30.314 146769.00 14593.28 137009.59 20742.72 156333.91 20534.87  567.260   45.415  608.250   41.833 -40.99023 61.74593 
1 1 1    4   20    5 o  236.269   14.333 22847.84  2736.71 24210.25  3995.29 21643.53  3756.35  242.244   20.505  228.965   20.419 13.27898 28.93769 
1 1 1    4   20    6 o  170.602   12.333 11919.20  1696.93 13074.72  2555.22 11007.47  2269.72  177.911   17.933  163.180   17.399 14.73036 24.98603 
1 1 1    4   20    7 o  345.860   18.553 49120.13  5191.31 51414.56  7499.47 47009.21  7193.33  351.850   26.444  336.323   26.557 15.52737 37.47745 
1 1 1    4   20    8 o  271.655   10.474 30050.34  2310.23 38744.58  4419.15 26780.64  2710.04  307.089   17.799  255.905   13.086 51.18394 22.09216 
1 1 1    4   20    9 o  215.826   10.569 18975.24  1852.07 18429.10  3635.75 19166.63  2152.26  210.521   21.574  216.438   12.298 -5.916885 24.83308 
1 1 1    4   20   10 o  121.226   7.3687  5999.17  721.874 12380.48  1775.66  4735.69  790.113  173.699   12.677  107.465   9.1417 66.23396 15.62977 
1 1 1    4   20   11 o  139.555   9.2496  7967.24  1042.17  4573.99  2325.66  8819.85  1165.77  102.863   27.367  146.794   9.8375 -43.93173 29.08101 
1 1 1    4   20   12 o  266.417   11.874 28997.33  2568.68 30389.60  4919.58 28475.50  3011.83  269.626   22.682  263.296   14.140 6.330627 26.72835 
1 1 1    4   20   13 o  336.450   15.110 46544.20  4127.86 43666.85  7652.89 47724.81  4902.11  318.884   29.906  339.401   17.851 -20.51660 34.82838 
1 1 1    4   20   14 o  383.507   15.921 60870.89  4957.67 74069.60  9284.49 55606.58  5863.58  414.310   27.760  364.108   19.909 50.20193 34.16068 
1 1 1    4   20   15 o   59.998   17.433  1540.90  899.782  1417.31  2088.07  1569.08  997.108   67.873   26.391   60.825   18.524 7.048172 32.24305 
1 1 1    4   20   16 o  114.751   13.806  5554.24  1260.53 10395.13  2682.72  4182.66  1427.98  153.807   22.118   97.811   18.661 55.99516 28.93831 
1 1 1    4   20   17 o   96.108   13.220  3923.25  1004.33  5895.60  2676.56  3600.03  1083.50  110.852   29.295   91.380   15.133 19.47216 32.97265 
1 1 1    4   20   18 o   69.450   15.528  2126.98  853.659  835.669  3215.58  2224.89  885.431   70.694   30.561   70.991   15.771 -0.2967529 34.39055 
1 1 1    4   20   19 o   71.741   17.288  2326.52  995.147  131.302  3520.34  2517.18  1037.46   67.923   30.535   74.606   17.439 -6.682854 35.16436 
1 1 1    4   20   20 o   84.699   17.131  3269.97  1137.68  249.137  4002.35  3535.51  1186.63   69.155   31.662   88.117   17.202 -18.96116 36.03318 
1 1 1    4   20   21 o  111.018   14.858  5524.74  1305.72   0.0000   0.0000  5524.74  1305.72  ?   ?   111.018   14.858 0.000000 14.85760 
1 1 1    4   20   22 o   50.901   19.482  1135.80  1124.95   0.0000   0.0000  1135.80  1124.95  ?   ?    50.901   19.482 0.000000 19.48224 
1 1 1    4   22    0 o  290.388   24.449 34936.89  5711.06   0.0000   0.0000 34936.89  5711.06  ?   ?   290.388   24.449 0.000000 24.44895 
1 1 1    4   22    1 o  183.837   13.760 13856.44  2039.04   0.0000   0.0000 13856.44  2039.04  ?   ?   183.837   13.760 0.000000 13.75994 
1 1 1    4   22    2 f  182.020   11.177 13540.38  1643.93 13837.81  2874.45 13395.81  2004.02  182.768   19.680  180.732   13.760 2.036377 24.01276 
1 1 1    4   22    3 o  189.724   13.534 14751.25  2071.23 16562.67  3062.76 13224.68  2811.66  200.226   19.069  178.598   19.717 21.62863 27.43013 
1 1 1    4   22    4 o  352.918   16.390 50904.95  4696.62 102104.00  6810.16  4467.47  6485.76  499.741   16.783  121.055   46.667 378.6866 49.59345 
1 1 1    4   22    5 o  424.098   22.796 74222.66  7821.25 68062.48 11215.36 80054.85 10912.69  401.771   34.720  437.580   30.913 -35.80884 46.48781 
1 1 1    4   22    6 o  439.938   23.010 79952.39  8191.11 82619.47 11770.43 77447.88 11406.11  443.300   32.936  429.107   32.989 14.19299 46.61620 
1 1 1    4   22    7 o  337.293   18.801 46822.76  5128.60 47043.09  7469.27 46626.22  7054.38  335.469   27.668  334.471   26.184 0.9980774 38.09396 
1 1 1    4   22    8 o  490.492   26.394 100194.30 10473.18 89427.34 15063.71 110268.70 14571.18  455.156   41.207  509.588   35.436 -54.43207 54.34816 
1 1 1    4   22    9 o  466.544   19.530 89600.60  7398.26 83800.49 13356.60 92167.75  8885.93  441.699   37.600  471.850   23.193 -30.15103 44.17757 
1 1 1    4   22   10 o   87.579   8.8836  3155.82  622.978 -915.6631  1799.97  3709.91  664.016   48.050   21.696   95.052   8.7001 -47.00222 23.37511 
1 1 1    4   22   11 o  181.845   10.620 13543.04  1561.23 12289.12  3351.62 13890.51  1764.33  169.783   25.066  183.973   11.874 -14.19037 27.73629 
1 1 1    4   22   12 o  211.023   15.049 18414.94  2561.60 15548.44  3998.93 20409.66  3335.86  190.064   26.644  221.133   18.756 -31.06917 32.58368 
1 1 1    4   22   13 o   74.128   17.721  2376.59  1052.17  2131.71  2593.32  2424.84  1151.17   78.692   29.708   74.778   18.939 3.914520 35.23153 
1 1 1    4   22   14 o  287.736   17.413 34822.54  4048.99 40446.55  6407.04 31082.99  5224.49  303.699   26.240  267.419   24.327 36.28000 35.78184 
1 1 1    4   22   15 o   93.487   11.101  3654.88  826.151  7511.85  2647.59  3238.81  869.570  128.316   26.295   87.552   12.595 40.76343 29.15584 
1 1 1    4   22   16 o   92.609   11.009  3597.67  811.591  2197.51  2787.39  3727.37  848.347   77.642   30.408   94.203   11.318 -16.56091 32.44542 
1 1 1    4   22   17 o  123.383   11.547  6394.58  1143.34  5592.57  3342.38  6500.86  1216.75  104.342   34.193  124.165   12.227 -19.82240 36.31345 
1 1 1    4   22   18 o   87.822   14.739  3370.61  1013.79  3840.02  3859.39  3335.82  1050.69   89.233   35.516   87.079   15.425 2.153175 38.72117 
1 1 1    4   22   19 o   64.415   18.142  1910.88  989.271  4809.27  3442.22  1649.94  1032.84   92.276   34.349   60.229   18.941 32.04676 39.22495 
1 1 1    4   22   20 o   49.361   18.362  977.485  983.340   0.0000   0.0000  977.485  983.340  ?   ?    49.361   18.362 0.000000 18.36181 
1 1 1    4   22   21 o   52.337   19.413  1229.75  1097.59   0.0000   0.0000  1229.75  1097.59  ?   ?    52.337   19.413 0.000000 19.41301 
1 1 1    4   22   22 o   53.283   23.246  1126.06  1895.60   0.0000   0.0000  1126.06  1895.60  ?   ?    53.283   23.246 0.000000 23.24600 
1 1 1    4   24    0 f  301.422   18.017 37349.99  4389.26   0.0000   0.0000 37349.99  4389.26  ?   ?   301.422   18.017 0.000000 18.01651 
1 1 1    4   24    1 o   83.927   15.606  2970.36  1024.35   0.0000   0.0000  2970.36  1024.35  ?   ?    83.927   15.606 0.000000 15.60611 
1 1 1    4   24    2 o  301.891   14.926 37236.46  3658.78 32507.12  6477.75 39452.08  4433.75  278.210   29.107  309.854   17.696 -31.64365 34.06385 
1 1 1    4   24    3 o  258.312   13.859 27319.57  2896.15 26556.93  5077.82 27687.28  3525.88  252.248   25.126  259.537   16.822 -7.289169 30.23760 
1 1 1    4   24    4 o  215.319   13.036 18988.71  2268.36 18385.76  3974.13 19280.06  2762.57  209.728   23.756  216.526   15.823 -6.798004 28.54319 
1 1 1    4   24    5 o  228.068   15.419 21374.50  2838.56 20379.61  4211.30 22202.82  3842.64  220.809   23.869  231.380   20.671 -10.57150 31.57535 
1 1 1    4   24    6 f  198.354   14.753 16179.77  2359.01 13730.62  3609.94 18005.10  3116.48  180.271   25.364  208.554   18.599 -28.28329 31.45228 
1 1 1    4   24    7 o  368.259   21.135 56146.18  6293.13 49518.32  9165.64 62057.30  8655.88  340.741   33.564  384.512   27.915 -43.77054 43.65533 
1 1 1    4   24    8 o  487.262   26.293 99362.17 10364.05 94625.41 14994.48 103695.20 14341.29  466.480   39.974  491.339   36.202 -24.85944 53.93075 
1 1 1    4   24    9 o   99.521   15.541  4159.57  1214.81  2969.79  2102.19  4756.09  1488.51   84.739   27.064  106.057   17.924 -21.31798 32.46130 
1 1 1    4   24   10 o   95.512   15.970  3852.69  1194.77  4927.46  2145.74  3369.73  1438.37  106.280   25.240   88.386   20.449 17.89397 32.48409 
1 1 1    4   24   11 o  235.809   15.910 23073.52  3028.45 24027.98  4749.37 22419.52  3931.41  236.979   25.063  230.497   21.245 6.482254 32.85567 
1 1 1    4   24   12 o  112.035   9.0329  5166.28  814.724  3636.41  2862.77  5301.11  849.867   92.602   31.667  113.450   9.3079 -20.84720 33.00702 
1 1 1    4   24   13 o  141.178   9.8279  8220.18  1119.57 10058.76  3580.66  8020.96  1178.67  147.338   30.916  139.295   10.498 8.042847 32.65005 
1 1 1    4   24   14 o  250.103   12.884 26048.04  2607.56 25673.24  5872.35 26140.09  2910.20  234.350   31.672  249.765   14.411 -15.41415 34.79674 
1 1 1    4   24   15 o  274.325   14.419 31693.55  3200.42 29557.07  6740.61 32315.35  3636.45  245.040   34.861  275.625   16.321 -30.58508 38.49291 
1 1 1    4   24   16 f  136.382   11.125  7785.74  1221.23  5881.69  3713.17  8016.68  1293.17  105.931   36.066  138.210   11.631 -32.27981 37.89545 
1 1 1    4   24   17 o   42.469   16.009  610.525  752.409 -4756.3530  3223.45  919.782  773.784   49.226   24.090   47.674   16.457 1.551369 29.17459 
1 1 1    4   24   18 o   98.629   14.565  4269.62  1131.33  7108.51  3953.48  4016.41  1180.71  107.752   37.198   94.964   15.873 12.78772 40.44315 
1 1 1    4   24   19 o   88.281   16.441  3565.07  1135.15  4121.10  5120.10  3536.33  1164.12   84.289   37.429   87.600   16.979 -3.311020 41.10021 
1 1 1    4   24   20 o   80.296   19.304  3191.09  1243.03   0.0000   0.0000  3191.09  1243.03  ?   ?    80.296   19.304 0.000000 19.30368 
1 1 1    4   24   21 o   44.700   18.527  678.029  1101.39   0.0000   0.0000  678.029  1101.39  ?   ?    44.700   18.527 0.000000 18.52694 
1 1 1    4   26    0 o  182.204   15.515 13687.36  2273.48   0.0000   0.0000 13687.36  2273.48  ?   ?   182.204   15.515 0.000000 15.51489 
1 1 1    4   26    1 o  312.556   19.180 40318.69  4844.18   0.0000   0.0000 40318.69  4844.18  ?   ?   312.556   19.180 0.000000 19.18046 
1 1 1    4   26    2 o  336.106   19.628 46645.84  5333.23   0.0000   0.0000 46645.84  5333.23  ?   ?   336.106   19.628 0.000000 19.62766 
1 1 1    4   26    3 o  343.986   16.804 48537.43  4693.32 46787.42  8304.51 49358.70  5688.98  332.302   31.141  345.479   20.370 -13.17755 37.21209 
1 1 1    4   26    4 o  274.180   15.139 30878.58  3357.25 31690.42  5926.07 30494.88  4074.11  274.394   26.946  271.669   18.581 2.725616 32.73125 
1 1 1    4   26    5 o  133.514   15.243  7397.07  1622.81  8532.10  2619.76  6690.37  2067.18  141.608   23.616  125.653   21.003 15.95538 31.60424 
1 1 1    4   26    6 o  217.994   15.801 19601.98  2777.94 21291.27  4309.97 18401.47  3633.32  225.029   23.957  209.717   21.648 15.31172 32.28892 
1 1 1    4   26    7 o  255.772   17.063 27049.59  3523.23 28091.72  5383.32 26268.76  4659.81  257.629   26.094  250.126   23.209 7.503586 34.92218 
1 1 1    4   26    8 o   71.616   17.980  2201.81  1044.03  3639.46  2078.08  1716.43  1207.47   91.757   26.445   64.679   20.496 27.07781 33.45768 
1 1 1    4   26    9 o  378.733   21.551 60262.68  6600.04 63505.98  9854.42 57624.38  8887.95  381.164   32.140  364.416   30.313 16.74826 44.17990 
1 1 1    4   26   10 o  105.154   9.2857  4556.74  784.685  3040.38  2799.95  4685.98  817.442   87.414   31.213  106.603   9.5449 -19.18903 32.64004 
1 1 1    4   26   11 o  285.890   13.125 33788.38  3046.85 39353.92  6467.77 32201.03  3454.12  299.134   26.917  277.778   15.374 21.35556 30.99831 
1 1 1    4   26   12 o  291.552   13.095 35263.38  3100.03 41224.60  6789.28 33693.14  3484.48  303.078   27.902  283.575   15.188 19.50284 31.76805 
1 1 1    4   26   13 o  163.985   10.958 11160.40  1450.61 13915.69  4283.76 10803.53  1541.70  170.723   32.080  161.025   11.875 9.697800 34.20781 
1 1 1    4   26   14 o  100.715   11.737  4270.57  941.815  291.719  3620.56  4559.35  975.395   72.000   31.747  104.103   11.745 -32.10289 33.84956 
1 1 1    4   26   15 o   80.550   12.256  2771.76  776.284 -2672.8701  4080.50  2976.21  790.725   63.544   30.032   83.607   11.991 -20.06289 32.33744 
1 1 1    4   26   16 o   86.233   13.733  3226.66  929.287 -2679.7019  4479.27  3492.31  949.956   65.233   31.015   89.903   13.425 -24.66994 33.79599 
1 1 1    4   26   17 o  113.826   12.340  5556.93  1122.21  9735.05  5094.34  5343.84  1150.48  118.646   42.130  111.292   12.975 7.353561 44.08313 
1 1 1    4   26   18 o   76.713   16.535  2714.54  999.620 -4453.3452  5310.95  2977.79  1017.81   62.006   30.462   80.674   16.102 -18.66763 34.45632 
1 1 1    4   26   19 o   50.943   18.207  1162.99  952.890   0.0000   0.0000  1162.99  952.890  ?   ?    50.943   18.207 0.000000 18.20699 
1 1 1    4   26   20 o   52.415   19.402  1332.37  1095.19   0.0000   0.0000  1332.37  1095.19  ?   ?    52.415   19.402 0.000000 19.40173 
1 1 1    4   28    0 o  107.050   26.369  4983.61  2276.97   0.0000   0.0000  4983.61  2276.97  ?   ?   107.050   26.369 0.000000 26.36885 
1 1 1    4   28    1 o  142.484   24.055  8673.90  2683.84   0.0000   0.0000  8673.90  2683.84  ?   ?   142.484   24.055 0.000000 24.05457 
1 1 1    4   28    2 o  191.973   23.007 15535.20  3514.76   0.0000   0.0000 15535.20  3514.76  ?   ?   191.973   23.007 0.000000 23.00688 
1 1 1    4   28    3 o  434.038   25.058 79080.36  8793.61 77418.14 12921.34 80514.37 12001.61  420.443   38.269  431.715   34.527 -11.27209 51.54191 
1 1 1    4   28    4 o  249.621   15.413 25706.92  3108.67 17205.17  5568.75 29555.64  3746.81  196.651   36.210  267.166   17.366 -70.51456 40.15894 
1 1 1    4   28    5 o  373.747   18.627 57847.14  5652.65 57225.37  9941.89 58144.15  6871.38  362.109   34.219  372.234   22.845 -10.12521 41.14436 
1 1 1    4   28    6 o  139.451   15.294  8107.20  1703.28 10431.79  3095.91  7098.14  2039.74  155.270   25.437  129.119   20.111 26.15134 32.42670 
1 1 1    4   28    7 o   91.810   18.150  3623.42  1305.06  5716.89  2458.64  2802.18  1539.91  113.390   27.078   80.352   22.636 33.03777 35.29263 
1 1 1    4   28    8 o  156.516   16.927 10312.76  2116.92 10061.20  4115.67 10403.26  2468.49  146.886   35.005  156.168   19.921 -9.281296 40.27631 
1 1 1    4   28    9 o   53.271   19.740  967.315  1134.29 -710.4294  3040.93  1238.47  1222.52   64.163   28.645   57.674   20.622 6.489601 35.29602 
1 1 1    4   28   10 o  111.454   9.6847  5139.20  867.728  1638.64  3776.67  5334.29  891.581   82.223   34.212  113.548   9.7653 -31.32506 35.57838 
1 1 1    4   28   11 o  234.855   11.838 22896.58  2250.18 31544.79  5882.71 21414.38  2435.38  263.433   27.928  226.452   13.303 36.98117 30.93486 
1 1 1    4   28   12 o   99.564   10.090  4131.75  804.416  2161.59  3403.78  4248.29  827.867   81.016   32.963  100.932   10.244 -19.91581 34.51757 
1 1 1    4   28   13 o  133.089   10.584  7388.05  1134.27  8321.65  4030.20  7307.74  1182.05  124.900   37.064  132.178   11.117 -7.278465 38.69498 
1 1 1    4   28   14 o   90.859   11.515  3499.84  830.439  3902.06  3757.41  3479.18  851.496   90.538   35.347   90.464   11.879 0.7357788E-01 37.28963 
1 1 1    4   28   15 o  101.831   11.583  4408.14  940.717  4028.64  4784.88  4423.40  959.442   90.727   38.181  101.919   11.813 -11.19194 39.96679 
1 1 1    4   28   16 o  113.838   12.442  5574.41  1131.31  761.866  4537.36  5893.42  1168.20   73.573   33.694  117.059   12.483 -43.48618 35.93228 
1 1 1    4   28   17 o   56.892   17.429  1501.13  881.047 -2439.3960  5688.75  1597.97  891.807   67.018   32.624   58.531   17.450 8.487904 36.99729 
1 1 1    4   28   18 o  132.507   13.557  7842.32  1438.10   0.0000   0.0000  7842.32  1438.10  ?   ?   132.507   13.557 0.000000 13.55723 
1 1 1    4   28   19 o   68.228   19.361  2442.10  1122.29   0.0000   0.0000  2442.10  1122.29  ?   ?    68.228   19.361 0.000000 19.36050 
1 1 1    4   30    0 o  154.695   19.258 10115.95  2366.60   0.0000   0.0000 10115.95  2366.60  ?   ?   154.695   19.258 0.000000 19.25824 
1 1 1    4   30    1 o  198.494   18.733 16540.62  2983.53   0.0000   0.0000 16540.62  2983.53  ?   ?   198.494   18.733 0.000000 18.73317 
1 1 1    4   30    2 o  249.029   19.319 26033.95  3875.88   0.0000   0.0000 26033.95  3875.88  ?   ?   249.029   19.319 0.000000 19.31938 
1 1 1    4   30    3 o  249.294   19.603 26158.06  3936.04   0.0000   0.0000 26158.06  3936.04  ?   ?   249.294   19.603 0.000000 19.60319 
1 1 1    4   30    4 o  120.293   17.637  6150.44  1671.49  4308.46  3210.09  6835.63  1957.84   99.670   33.536  126.274   19.742 -26.60421 38.91531 
1 1 1    4   30    5 o  192.789   16.060 15561.08  2491.19 17258.52  4649.73 14877.65  2950.37  196.121   30.165  187.053   19.723 9.067780 36.04084 
1 1 1    4   30    6 o  183.367   16.672 14158.75  2455.15 11285.05  4646.11 15272.08  2891.90  152.895   37.670  189.482   19.055 -36.58734 42.21499 
1 1 1    4   30    7 o   76.327   22.270  2563.50  1465.62  4686.08  3335.24  2055.54  1631.59  101.374   34.183   70.507   23.908 30.86701 41.71432 
1 1 1    4   30    8 o  316.891   21.236 43345.46  5432.40 52157.46  8851.21 38020.14  6880.78  334.260   33.045  288.623   29.789 45.63687 44.48999 
1 1 1    4   30    9 o   86.353   22.113  3362.48  1557.21 -684.9935  4085.50  4050.44  1684.36   72.663   32.759   94.769   22.267 -22.10604 39.61018 
1 1 1    4   30   10 o  102.641   9.0116  4366.21  743.429  2984.60  4358.61  4407.61  754.484   90.576   37.127  103.107   9.1056 -12.53063 38.22722 
1 1 1    4   30   11 o   35.229   11.517  499.278  379.303 -1532.6500  3417.33  524.623  381.662   62.232   28.767   35.892   11.539 26.33961 30.99532 
1 1 1    4   30   12 o   29.091   11.595  191.152  411.882  1559.78  4544.64  179.817  413.584   81.854   35.845   28.926   11.588 52.92831 37.67129 
1 1 1    4   30   13 o   51.402   13.402  1160.57  565.102  1353.53  4964.55  1158.03  568.799   81.176   36.395   51.342   13.474 29.83364 38.80886 
1 1 1    4   30   14 o   53.821   15.155  1291.45  690.432 -7748.4160  5304.54  1447.23  696.355   58.988   29.249   56.876   14.900 2.111732 32.82585 
1 1 1    4   30   15 o   46.723   15.373  940.960  675.406 -4723.6621  5768.04  1019.71  680.085   64.949   31.875   48.225   15.393 16.72403 35.39745 
1 1 1    4   30   16 o   82.608   14.733  3090.90  951.992   0.0000   0.0000  3090.90  951.992  ?   ?    82.608   14.733 0.000000 14.73319 
1 1 1    4   30   17 o   71.981   18.139  2555.73  1059.71   0.0000   0.0000  2555.73  1059.71  ?   ?    71.981   18.139 0.000000 18.13870 
1 1 1    4   30   18 o   71.378   19.619  2711.22  1172.23   0.0000   0.0000  2711.22  1172.23  ?   ?    71.378   19.619 0.000000 19.61887 
1 1 1    4   32    0 o  246.583   21.266 26151.40  4216.12   0.0000   0.0000 26151.40  4216.12  ?   ?   246.583   21.266 0.000000 21.26567 
1 1 1    4   32    1 o  182.669   20.610 14375.44  3003.44   0.0000   0.0000 14375.44  3003.44  ?   ?   182.669   20.610 0.000000 20.60984 
1 1 1    4   32    2 o  161.225   20.875 11259.30  2668.63   0.0000   0.0000 11259.30  2668.63  ?   ?   161.225   20.875 0.000000 20.87547 
1 1 1    4   32    3 o  169.676   20.658 12460.11  2787.30   0.0000   0.0000 12460.11  2787.30  ?   ?   169.676   20.658 0.000000 20.65769 
1 1 1    4   32    4 o   47.102   20.060  115.839  1347.26 -931.6537  3939.68  254.560  1433.69   71.084   32.097   49.625   20.893 21.45935 38.29780 
1 1 1    4   32    5 o  145.434   18.966  9141.61  2186.39 11476.08  5107.87  8617.94  2419.22  148.672   40.990  139.698   22.060 8.973984 46.54915 
1 1 1    4   32    6 o  298.334   19.330 38273.19  4657.24 48440.77  8968.91 34519.52  5449.53  316.058   35.567  278.803   24.316 37.25568 43.08454 
1 1 1    4   32    7 o  222.297   19.126 21370.35  3418.60 20943.39  6849.99 21511.96  3945.01  196.421   44.038  220.645   22.327 -24.22409 49.37439 
1 1 1    4   32    8 o  182.410   19.346 14523.83  2821.65 18623.58  6510.24 13575.55  3131.02  182.266   44.400  174.089   22.689 8.176453 49.86155 
1 1 1    4   32    9 o  111.984   24.233  5835.69  2139.44 10175.91  5635.23  5104.74  2312.59  130.770   44.431  103.062   27.228 27.70841 52.11036 
1 1 1    4   32   10 o   44.054   20.302 -968.0248  1682.85  2382.28  5024.34 -1391.3719  1786.01   87.243   37.958   43.401   20.309 43.84211 43.04922 
1 1 1    4   32   11 f  185.697   11.313 14484.45  1697.64 19915.94  6206.31 14045.19  1764.95  182.922   42.583  182.483   11.978 0.4388123 44.23530 
1 1 1    4   32   12 o   82.625   11.321  2917.51  739.518  5655.49  6066.21  2876.20  745.075   97.818   42.132   81.960   11.514 15.85828 43.67677 
1 1 1    4   32   13 o   68.605   11.929  2048.54  640.386  2223.41  6464.10  2046.80  643.552   83.681   38.984   68.550   11.999 15.13111 40.78852 
1 1 1    4   32   14 o  102.212   12.477  4550.26  1013.97 13634.99  7379.48  4375.44  1023.68  113.239   47.523   99.970   12.913 13.26832 49.24604 
1 1 1    4   32   15 o   69.123   14.549  2196.11  790.708   0.0000   0.0000  2196.11  790.708  ?   ?    69.123   14.549 0.000000 14.54854 
1 1 1    4   32   16 f   27.821   12.764 -330.2437  655.112   0.0000   0.0000 -330.2437  655.112  ?   ?    27.821   12.764 0.000000 12.76400 
1 1 1    4   32   17 o   71.725   19.071  2747.09  1129.85   0.0000   0.0000  2747.09  1129.85  ?   ?    71.725   19.071 0.000000 19.07096 
1 1 1    4   34    0 o   90.780   32.816  3719.14  3105.14   0.0000   0.0000  3719.14  3105.14  ?   ?    90.780   32.816 0.000000 32.81632 
1 1 1    4   34    1 o  159.609   38.525 13212.13  4935.76   0.0000   0.0000 13212.13  4935.76  ?   ?   159.609   38.525 0.000000 38.52478 
1 1 1    4   34    2 o  200.518   39.895 20925.25  6266.94   0.0000   0.0000 20925.25  6266.94  ?   ?   200.518   39.895 0.000000 39.89508 
1 1 1    4   34    3 o  116.924   40.465  7283.95  4679.83   0.0000   0.0000  7283.95  4679.83  ?   ?   116.924   40.465 0.000000 40.46525 
1 1 1    4   34    4 o  153.293   44.729 13543.83  5912.36   0.0000   0.0000 13543.83  5912.36  ?   ?   153.293   44.729 0.000000 44.72903 
1 1 1    4   34    5 o   35.026   17.006 -2375.3311  1518.91   0.0000   0.0000 -2375.3311  1518.91  ?   ?    35.026   17.006 0.000000 17.00559 
1 1 1    4   34    6 f  109.770   28.412  5875.01  2552.02   0.0000   0.0000  5875.01  2552.02  ?   ?   109.770   28.412 0.000000 28.41233 
1 1 1    4   34    7 o  182.281   25.033 15462.60  3607.23   0.0000   0.0000 15462.60  3607.23  ?   ?   182.281   25.033 0.000000 25.03307 
1 1 1    4   34    8 o  109.827   28.154  6000.63  2522.37 14226.24  6119.34  4316.98  2768.51  148.081   46.028   92.337   31.144 55.74323 55.57439 
1 1 1    4   34    9 o  113.020   26.151  6275.44  2352.23 10461.08  6617.55  5670.12  2516.57  120.305   46.925  105.466   28.646 14.83904 54.97776 
1 1 1    4   34   10 f  173.032   11.373 12657.45  1588.91 26656.81  7781.20 12048.32  1623.11  194.014   49.294  168.458   11.944 25.55609 50.72081 
1 1 1    4   34   11 o   42.219   12.979  770.204  488.089  8946.47  7362.21  734.109  489.165  103.527   45.471   41.407   13.037 62.12015 47.30344 
1 1 1    4   34   12 o   49.699   12.686  1103.52  513.648 -533.6960  7806.21  1110.64  514.763   77.200   37.718   49.858   12.685 27.34173 39.79404 
1 1 1    4   34   13 o   25.005   11.357 -240.4897  501.858   0.0000   0.0000 -240.4897  501.858  ?   ?    25.005   11.357 0.000000 11.35666 
1 1 1    4   34   14 o   56.725   14.758  1514.62  686.254   0.0000   0.0000  1514.62  686.254  ?   ?    56.725   14.758 0.000000 14.75846 
1 1 1    4   34   15 o   54.918   15.646  1476.08  731.445   0.0000   0.0000  1476.08  731.445  ?   ?    54.918   15.646 0.000000 15.64605 
1 1 1    4   36    0 o   81.293   28.348  3093.04  2298.77   0.0000   0.0000  3093.04  2298.77  ?   ?    81.293   28.348 0.000000 28.34772 
1 1 1    4   36    1 o  140.796   27.972  9631.52  3085.05   0.0000   0.0000  9631.52  3085.05  ?   ?   140.796   27.972 0.000000 27.97158 
1 1 1    4   36    2 o  218.182   26.281 22492.35  4562.10   0.0000   0.0000 22492.35  4562.10  ?   ?   218.182   26.281 0.000000 26.28060 
1 1 1    4   36    3 o   80.130   28.301  3008.88  2295.76   0.0000   0.0000  3008.88  2295.76  ?   ?    80.130   28.301 0.000000 28.30066 
1 1 1    4   36    4 o   94.677   31.027  4603.67  2752.07   0.0000   0.0000  4603.67  2752.07  ?   ?    94.677   31.027 0.000000 31.02695 
1 1 1    4   36    5 o   81.699   29.754  3211.36  2559.61   0.0000   0.0000  3211.36  2559.61  ?   ?    81.699   29.754 0.000000 29.75446 
1 1 1    4   36    6 o  153.551   45.809 15968.36  6144.35 17787.98  8958.37 14351.94  8443.33  138.599   54.443  127.674   51.927 10.92464 75.23621 
1 1 1    4   36    7 o  117.166   45.235 10257.50  6100.69  8249.81  8200.41 12745.93  9129.54  104.451   46.806  116.048   50.812 -11.59700 69.08432 
1 1 1    4   36    8 o   84.989   38.925  2891.47  6057.12 -11999.6797  7867.03 24570.23  9492.13   65.511   32.945  151.336   56.900 -85.82521 65.74933 
1 1 1    4   36    9 o  102.373   44.357  9131.21  6804.88  9675.53  8660.26  8252.78 11001.68  100.045   46.087   95.258   46.136 4.786598 65.21105 
1 1 1    4   36   10 o   87.107   43.342  5762.77 12054.12   0.0000   0.0000  5762.77 12054.12  ?   ?    87.107   43.342 0.000000 43.34194 
1 1 1    4   36   11 o   37.839   12.034  619.033  415.990   0.0000   0.0000  619.033  415.990  ?   ?    37.839   12.034 0.000000 12.03445 
1 1 1    4   36   12 o   46.021   13.117  970.558  513.987   0.0000   0.0000  970.558  513.987  ?   ?    46.021   13.117 0.000000 13.11717 
1 1 1    4   36   13 o   19.824   9.6332 -765.7623  490.265   0.0000   0.0000 -765.7623  490.265  ?   ?    19.824   9.6332 0.000000 9.633193 
1 1 1    4   38    0 o   74.984   29.991  2524.06  2765.15   0.0000   0.0000  2524.06  2765.15  ?   ?    74.984   29.991 0.000000 29.99115 
1 1 1    4   38    1 o  142.109   34.229 11422.80  3902.69   0.0000   0.0000 11422.80  3902.69  ?   ?   142.109   34.229 0.000000 34.22932 
1 1 1    4   38    2 o  117.677   35.273  8226.90  3636.58   0.0000   0.0000  8226.90  3636.58  ?   ?   117.677   35.273 0.000000 35.27273 
1 1 1    4   38    3 f  172.911   33.584 16677.69  4545.19   0.0000   0.0000 16677.69  4545.19  ?   ?   172.911   33.584 0.000000 33.58407 
1 1 1    4   38    4 o  117.313   35.690  8459.91  3702.96   0.0000   0.0000  8459.91  3702.96  ?   ?   117.313   35.690 0.000000 35.69027 
1 1 1    4   38    5 o  143.533   35.435 12422.53  4104.98   0.0000   0.0000 12422.53  4104.98  ?   ?   143.533   35.435 0.000000 35.43535 
1 1 1    4   38    6 o  173.710   34.457 17913.32  4688.39   0.0000   0.0000 17913.32  4688.39  ?   ?   173.710   34.457 0.000000 34.45655 
1 1 1    4   38    7 o  123.974   34.131  9697.29  3544.51 13372.42 10935.25  9265.83  3746.80   95.910   46.341  117.574   35.929 -21.66446 58.63778 
1 1 1    4   38    8 o  139.579   33.916 12415.22  3805.96 10755.75 11419.95 12622.57  4036.74   87.081   43.132  137.107   35.854 -50.02509 56.08843 
1 1 1    4   38    9 o   73.236   28.921  3276.33  2540.65   0.0000   0.0000  3276.33  2540.65  ?   ?    73.236   28.921 0.000000 28.92136 
1 1 1    4   38   10 o   70.305   30.097  3299.70  3060.86   0.0000   0.0000  3299.70  3060.86  ?   ?    70.305   30.097 0.000000 30.09663 
1 1 1    4   38   11 o   76.659   10.920  2622.26  660.505   0.0000   0.0000  2622.26  660.505  ?   ?    76.659   10.920 0.000000 10.92013 
1 1 1    4   40    0 o  121.845   40.135 11671.82  4602.81   0.0000   0.0000 11671.82  4602.81  ?   ?   121.845   40.135 0.000000 40.13498 
1 1 1    4   40    1 o  154.262   40.479 17447.35  5133.85   0.0000   0.0000 17447.35  5133.85  ?   ?   154.262   40.479 0.000000 40.47894 
1 1 1    4   40    2 o   81.336   34.112  4496.81  3797.96   0.0000   0.0000  4496.81  3797.96  ?   ?    81.336   34.112 0.000000 34.11157 
1 1 1    4   40    3 o  151.798   41.736 18034.89  5304.04   0.0000   0.0000 18034.89  5304.04  ?   ?   151.798   41.736 0.000000 41.73593 
1 1 1    4   40    4 f   97.551   37.808  8124.89  4274.91   0.0000   0.0000  8124.89  4274.91  ?   ?    97.551   37.808 0.000000 37.80849 
1 1 1    4   40    5 o   79.356   32.622  4562.81  3377.19   0.0000   0.0000  4562.81  3377.19  ?   ?    79.356   32.622 0.000000 32.62195 
1 1 1    4   40    6 o   68.330   30.730  2774.14  3569.27   0.0000   0.0000  2774.14  3569.27  ?   ?    68.330   30.730 0.000000 30.72988 
1 1 1    4   40    7 o   64.700   29.385  2375.88  3359.83   0.0000   0.0000  2375.88  3359.83  ?   ?    64.700   29.385 0.000000 29.38499 
1 1 1    4   40    8 o   49.455   23.075   58.438  2279.03   0.0000   0.0000   58.438  2279.03  ?   ?    49.455   23.075 0.000000 23.07519 
1 1 1    4   42    0 o   59.139   28.523  821.001  4097.78   0.0000   0.0000  821.001  4097.78  ?   ?    59.139   28.523 0.000000 28.52285 
1 1 1    4   42    1 o   59.525   28.765  924.114  4217.10   0.0000   0.0000  924.114  4217.10  ?   ?    59.525   28.765 0.000000 28.76468 
1 1 1    4   42    2 o   44.897   22.512 -4724.6309  3539.99   0.0000   0.0000 -4724.6309  3539.99  ?   ?    44.897   22.512 0.000000 22.51211 
1 1 1    4   42    3 o   49.134   24.103 -1680.5610  3286.55   0.0000   0.0000 -1680.5610  3286.55  ?   ?    49.134   24.103 0.000000 24.10320 
1 1 1    5    1    1 o  438.678   21.654 78893.76  7712.81 79326.66 10913.73 78461.83 10901.40  436.635   30.985  434.188   31.128 2.447144 43.92066 
1 1 1    5    1    3 f  104.688   5.1012  4451.58  433.617  4252.69  616.638  4646.13  609.873  102.019   7.4966  106.692   7.0801 -4.673508 10.31150 
1 1 1    5    1    4 o  542.020   18.500 119934.20  8142.02 122554.30 11518.71 117317.90 11510.41  546.448   25.961  534.521   26.521 11.92767 37.11221 
1 1 1    5    1    5 o  682.843   23.146 190554.70 12833.44 193850.00 18152.49 187261.70 18145.96  686.511   32.565  674.591   33.128 11.91956 46.45396 
1 1 1    5    1    6 o  229.308   8.5167 21361.26  1585.73 20598.13  2244.73 22121.44  2240.39  224.756   12.348  232.979   11.883 -8.222244 17.13658 
1 1 1    5    1    7 o  453.942   15.601 83803.12  5750.49 81536.09  8134.63 86067.70  8130.22  446.784   22.495  459.657   21.784 -12.87357 31.31409 
1 1 1    5    1    8 o  626.094   24.498 159730.91 12453.81 148178.09 21575.41 165503.50 15251.05  598.866   44.692  636.781   29.497 -37.91449 53.54843 
1 1 1    5    1    9 o  1308.27   44.147 702937.62 46895.58 707533.81 66322.05 698341.69 66318.66  1304.99   62.591  1296.29   63.008 8.702393 88.81219 
1 1 1    5    1   10 o  682.865   23.101 190035.30 12808.42 185902.59 18114.84 194167.09 18112.83  674.049   33.098  688.985   32.377 -14.93542 46.30087 
1 1 1    5    1   11 o  586.128   19.944 140085.00  9491.74 138803.59 13423.58 141366.30 13423.11  582.138   28.399  587.535   28.137 -5.396851 39.97759 
1 1 1    5    1   12 o  670.930   32.683 186053.80 17804.56 184640.50 25183.71 187466.20 25175.19  660.524   47.269  665.809   46.867 -5.285522 66.56429 
1 1 1    5    1   13 o  151.642   6.9769  9345.27  859.047 10027.94  1221.02  8676.15  1208.83  156.715   9.6424  145.664   10.287 11.05128 14.09937 
1 1 1    5    1   14 o  211.954   8.4447 18270.47  1453.32 18830.68  2055.02 17709.94  2055.59  214.674   11.835  208.123   12.218 6.551117 17.01010 
1 1 1    5    1   15 o  112.215   6.6381  5136.71  602.143  5088.86  861.252  5182.46  842.184  111.397   9.6161  112.459   9.3067 -1.061867 13.38220 
1 1 1    5    1   16 o  361.032   12.959 53228.78  3798.98 55320.92  5373.96 51138.80  5371.18  367.056   18.031  352.243   18.848 14.81284 26.08396 
1 1 1    5    1   17 o  206.486   8.6510 17364.94  1450.43 18262.82  2043.29 16452.97  2059.25  211.117   11.969  200.223   12.733 10.89383 17.47502 
1 1 1    5    1   18 o  259.472   10.154 27495.74  2139.22 26445.20  3018.61 28555.67  3032.06  253.224   14.745  263.304   14.235 -10.07962 20.49520 
1 1 1    5    1   19 o   85.502   9.3932  3026.35  641.375  3023.34  872.492  3029.89  946.052   84.704   13.109   84.524   14.294 0.1807251 19.39544 
1 1 1    5    1   20 o  248.929   9.9379 25473.70  2008.68 27172.48  2832.72 23755.62  2848.75  255.324   13.714  238.172   14.804 17.15262 20.18009 
1 1 1    5    1   21 o  261.579   10.390 28277.84  2206.78 28123.87  3133.63 28429.34  3108.23  258.009   15.023  259.553   14.810 -1.543732 21.09564 
1 1 1    5    1   22 o  146.197   9.1092  8863.38  1075.95  8420.76  1491.96  9343.05  1553.14  140.874   13.197  148.533   13.009 -7.658951 18.53111 
1 1 1    5    1   23 o  112.065   9.7936  5270.50  882.203  4990.91  1198.67  5600.94  1303.12  107.190   14.116  113.455   14.475 -6.265343 20.21848 
1 1 1    5    1   24 o   72.402   20.937  2556.00  1300.67  3925.11  2748.10  2160.77  1476.52   83.467   30.765   66.828   22.743 16.63863 38.25848 
1 1 1    5    1   25 o   52.661   15.879  1304.87  735.407  962.903  1098.97  1582.18  989.641   49.005   19.120   57.072   18.601 -8.067074 26.67570 
1 1 1    5    1   26 o   49.526   15.450  1202.25  688.735  999.760  946.033  1430.61  1004.64   46.687   17.867   52.760   18.712 -6.073215 25.87197 
1 1 1    5    3    0 o  383.037   13.536 59789.79  4210.00 60066.68  5957.88 59513.64  5949.82  383.203   19.148  380.935   19.299 2.267365 27.18635 
1 1 1    5    3    1 o  454.787   22.451 84821.90  8290.53 87031.74 11732.54 82618.04 11716.63  457.338   31.792  445.246   32.636 12.09222 45.56189 
1 1 1    5    3    4 o  599.060   20.370 146603.41  9908.10 145003.30 14014.46 148202.50 14009.89  593.883   29.063  600.483   28.734 -6.600220 40.86913 
1 1 1    5    3    5 o  353.707   12.397 50878.82  3560.27 49369.93  5037.53 52384.65  5032.44  347.645   17.907  358.615   17.283 -10.97049 24.88675 
1 1 1    5    3    6 o  293.749   10.491 35063.64  2502.22 36129.83  3542.06 34001.52  3535.30  298.053   14.636  288.730   15.132 9.323364 21.05247 
1 1 1    5    3    7 o  435.411   14.978 77086.06  5295.33 79775.23  7492.09 74401.70  7485.37  442.621   20.846  426.858   21.668 15.76233 30.06785 
1 1 1    5    3    8 o  1410.64   55.276 822793.81 63312.91 758133.31 109658.50 855126.62 77543.14  1321.55  103.006  1432.19   66.682 -110.6373 122.7059 
1 1 1    5    3    9 o  1124.19   37.800 517518.91 34504.46 511324.50 48798.80 523712.09 48794.55  1112.48   54.023  1126.11   53.364 -13.63196 75.93554 
1 1 1    5    3   10 o  523.442   17.806 111501.20  7567.99 110377.90 10704.57 112623.70 10700.95  520.164   25.345  525.455   25.081 -5.291077 35.65712 
1 1 1    5    3   11 o  186.206   7.5321 14085.99  1138.80 13850.00  1612.77 14320.67  1608.26  184.257   10.827  187.390   10.613 -3.133057 15.16173 
1 1 1    5    3   12 o  127.924   9.1992  6687.90  949.135  7597.48  1358.20  5819.77  1326.90  136.049   12.432  118.703   14.039 17.34649 18.75248 
1 1 1    5    3   13 o  327.176   11.717 43586.25  3112.82 43859.46  4399.98 43312.48  4404.42  327.301   16.611  325.228   16.735 2.073212 23.57948 
1 1 1    5    3   14 o  335.980   12.002 45993.69  3274.28 45119.66  4630.60 46867.66  4630.47  331.700   17.253  338.569   16.844 -6.868896 24.11152 
1 1 1    5    3   15 o  404.792   14.234 66923.27  4678.25 68654.69  6615.51 65191.28  6616.59  408.822   19.929  397.719   20.559 11.10333 28.63314 
1 1 1    5    3   16 o  204.486   8.3878 17018.64  1392.67 17784.75  1965.61 16246.38  1973.49  208.474   11.659  199.138   12.265 9.335968 16.92187 
1 1 1    5    3   17 o   61.165   8.4851  1552.51  410.053  1422.98  564.753  1696.94  596.341   57.920   12.384   63.422   12.020 -5.501194 17.25803 
1 1 1    5    3   18 o  322.326   12.047 42544.38  3152.88 43544.14  4457.04 41542.98  4460.66  324.299   16.985  316.579   17.420 7.720245 24.33038 
1 1 1    5    3   19 o  173.746   8.4117 12335.32  1186.69 12296.02  1690.43 12373.51  1666.29  172.456   12.150  173.057   11.931 -0.6001434 17.02849 
1 1 1    5    3   20 o  198.928   8.8987 16231.37  1437.33 14361.70  2039.37 18076.78  2026.09  185.383   13.644  208.735   12.005 -23.35219 18.17372 
1 1 1    5    3   21 o   99.311   8.7188  4085.49  695.946  3822.87  945.146  4396.52  1028.57   95.021   12.558  101.960   12.699 -6.939705 17.85980 
1 1 1    5    3   22 o   23.877   11.027 -381.0401  500.418   30.164  637.865 -1039.2111  806.992   32.288   13.778   27.123   12.970 5.164564 18.92278 
1 1 1    5    3   23 o  179.860   9.4268 13496.66  1371.90 13890.96  1922.70 13087.71  1958.12  180.158   13.236  174.356   13.948 5.802475 19.22892 
1 1 1    5    3   24 o   53.033   14.716  1275.06  656.016  1163.14  935.635  1383.29  920.054   51.754   18.083   55.119   17.934 -3.364841 25.46794 
1 1 1    5    3   25 o   73.438   13.276  2446.49  762.487  2573.46  1003.67  2273.21  1172.57   72.914   17.227   66.791   20.031 6.122635 26.41965 
1 1 1    5    3   26 o   30.513   13.560 -49.9812  673.291  1974.27  936.575 -2214.9700  968.587   61.480   17.763   24.041   12.013 37.43851 21.44415 
1 1 1    5    5    2 o  395.303   19.729 63877.09  6332.39 59994.73  8962.05 67747.86  8948.67  380.485   29.232  404.940   27.377 -24.45529 40.05050 
1 1 1    5    5    4 o  537.738   18.025 117864.40  7870.03 117679.70 11127.20 118049.30 11132.59  536.238   25.556  537.084   25.528 -0.8461304 36.12168 
1 1 1    5    5    5 o  649.795   21.636 172166.91 11415.41 177377.59 16143.01 166955.00 16144.66  658.201   30.206  638.401   31.146 19.80035 43.38697 
1 1 1    5    5    6 o  1373.94   66.496 791771.38 74182.17 859419.19 104932.10 724182.19 104886.80  1408.27   92.277  1283.91  101.437 124.3557 137.1297 
1 1 1    5    5    7 o  361.651   12.573 53153.54  3691.92 57118.11  5225.29 49201.45  5217.05  374.731   17.173  347.245   18.571 27.48581 25.29408 
1 1 1    5    5    8 o  331.056   11.601 44530.18  3118.49 44133.97  4414.73 44924.77  4405.71  329.028   16.578  332.390   16.324 -3.362030 23.26595 
1 1 1    5    5    9 o  840.989   28.221 288586.41 19271.13 283903.59 27258.39 293265.81 27248.59  831.959   40.352  845.708   39.681 -13.74884 56.59369 
1 1 1    5    5   10 o  159.533   6.7345 10336.59  872.355 10107.44  1240.65 10560.67  1226.86  157.420   9.7542  160.948   9.4291 -3.527908 13.56663 
1 1 1    5    5   11 o  405.074   14.057 66791.22  4623.45 60659.07  6540.89 72914.54  6536.19  384.845   21.012  422.772   19.041 -37.92719 28.35544 
1 1 1    5    5   12 o  245.305   10.771 24483.48  2145.27 23778.12  3755.93 24825.02  2613.54  240.388   19.408  246.535   13.103 -6.146774 23.41729 
1 1 1    5    5   13 o  380.822   13.534 59117.10  4184.78 61241.08  5923.55 57000.82  5912.81  386.866   18.857  372.612   19.612 14.25439 27.20753 
1 1 1    5    5   14 o  494.785   17.134 100145.70  6883.47 101084.80  9738.11 99207.88  9731.28  495.239   24.217  490.554   24.431 4.684540 34.39985 
1 1 1    5    5   15 o  492.009   17.203 99172.93  6872.46 99128.38  9723.10 99217.40  9715.15  489.647   24.456  489.878   24.424 -0.2312012 34.56357 
1 1 1    5    5   16 o  374.187   13.484 57225.85  4096.86 56965.28  5795.78 57486.06  5791.89  371.565   19.277  373.296   19.173 -1.730957 27.18832 
1 1 1    5    5   17 o  106.855   7.1754  4667.24  618.950  5904.23  873.793  3421.52  876.869  120.035   9.0314   90.694   12.218 29.34114 15.19388 
1 1 1    5    5   18 o  134.645   7.4882  7409.23  815.430  7444.65  1140.13  7372.14  1166.71  134.538   10.521  133.825   10.830 0.7128601 15.09872 
1 1 1    5    5   19 o   66.464   9.9186  1849.26  518.889  1276.87  674.671  2678.12  811.867   54.596   14.833   79.581   13.014 -24.98417 19.73317 
1 1 1    5    5   20 o   74.502   9.1407  2311.87  541.350  2781.88  711.312  1664.92  834.538   81.401   11.047   61.820   16.368 19.58099 19.74722 
1 1 1    5    5   21 o  236.136   10.004 23035.84  1918.13 21118.81  2697.06 24997.85  2728.52  223.283   14.963  243.715   13.845 -20.43156 20.38578 
1 1 1    5    5   22 o  196.876   9.5762 16060.53  1530.82 16937.23  2136.96 15136.41  2194.00  199.964   13.236  188.233   14.466 11.73082 19.60760 
1 1 1    5    5   23 o  150.998   9.5718  9539.40  1167.49  8857.89  1588.83 10339.23  1721.25  143.201   13.837  154.793   13.841 -11.59158 19.57106 
1 1 1    5    5   24 o   28.142   12.327 -66.6693  537.880 -298.1715  653.427  419.896  947.306   28.566   12.968   41.927   17.261 -13.36030 21.58996 
1 1 1    5    5   25 o   59.462   14.441  1655.04  690.289  2146.76  830.230  553.888  1242.40   67.295   15.512   45.758   19.367 21.53736 24.81307 
1 1 1    5    5   26 o   27.289   12.302 -147.9232  576.112   47.179  649.795 -864.8145  1245.58   31.010   13.567   34.304   16.323 -3.293184 21.22535 
1 1 1    5    7    0 o  293.719   10.860 35088.95  2590.09 33399.99  3670.16 36764.71  3655.77  285.829   15.876  300.402   14.988 -14.57309 21.83337 
1 1 1    5    7    1 o  357.157   18.171 52179.24  5252.12 50893.96  7427.08 53464.90  7428.15  351.288   26.228  360.236   25.561 -8.948029 36.62339 
1 1 1    5    7    2 o  467.088   23.041 89219.41  8738.57 87817.45 12373.83 90614.33 12342.64  460.445   33.322  467.926   32.691 -7.480743 46.68056 
1 1 1    5    7    3 o  263.943   14.014 28426.18  2992.52 28735.19  4241.50 28119.90  4222.69  264.709   19.879  261.826   20.014 2.883453 28.20903 
1 1 1    5    7    4 o  457.060   18.012 85067.05  6684.69 87900.70 11657.79 83678.93  8159.35  462.192   31.247  452.965   22.185 9.227264 38.32182 
1 1 1    5    7    5 o  641.056   21.544 167440.59 11214.12 168496.09 15861.20 166385.59 15857.12  641.928   30.431  637.868   30.617 4.060730 43.16705 
1 1 1    5    7    6 o  989.164   33.143 400147.31 26619.51 414876.09 37642.73 385413.91 37648.61  1003.77   46.186  966.940   47.952 36.82660 66.57763 
1 1 1    5    7    7 o  728.583   27.969 216525.09 16546.03 192030.00 28603.85 228843.20 20284.10  680.294   52.181  748.276   33.385 -67.98273 61.94703 
1 1 1    5    7    8 o  304.736   12.215 37734.89  3022.45 39964.59  3704.19 33293.16  5228.12  313.551   14.549  285.022   22.781 28.52936 27.03075 
1 1 1    5    7    9 o  690.940   23.332 194564.09 13089.80 187357.80 18512.97 201768.59 18510.59  676.612   33.698  702.353   32.458 -25.74170 46.78749 
1 1 1    5    7   10 o  205.198   7.7110 17105.06  1284.76 17756.08  1814.14 16450.04  1819.71  208.730   10.740  200.850   11.203 7.880310 15.51965 
1 1 1    5    7   11 o  497.533   19.629 101107.10  7929.67 95492.07  9708.62 112359.60 13743.69  482.013   24.891  520.743   32.670 -38.72946 41.07176 
1 1 1    5    7   12 o  256.013   11.150 26676.48  2317.76 28436.42  4085.22 25841.07  2814.61  262.977   19.266  251.424   13.840 11.55260 23.72209 
1 1 1    5    7   13 o  382.499   13.517 59651.16  4198.16 60676.84  5940.23 58627.64  5933.97  384.976   19.003  377.869   19.406 7.107147 27.16099 
1 1 1    5    7   14 o  189.090   7.5183 14538.47  1154.32 13770.82  1638.02 15295.79  1626.95  183.538   11.043  193.540   10.391 -10.00244 15.16299 
1 1 1    5    7   15 o  403.612   14.396 66581.14  4717.75 66788.33  6673.36 66374.14  6670.46  402.361   20.494  401.091   20.551 1.269592 29.02345 
1 1 1    5    7   16 o  222.920   9.0398 20238.85  1636.23 21214.97  2318.57 19270.40  2309.43  227.551   12.598  216.742   13.185 10.80905 18.23625 
1 1 1    5    7   17 o  115.647   7.3176  5465.69  683.596  5788.17  946.194  5113.58  988.709  118.710   9.9070  111.353   11.082 7.356995 14.86504 
1 1 1    5    7   18 o  279.196   10.582 31899.32  2398.85 34474.66  3422.08 29411.16  3363.66  288.850   14.639  266.413   15.618 22.43744 21.40574 
1 1 1    5    7   19 o   53.785   10.918  1231.28  460.522  1195.66  581.577  1291.16  754.070   52.761   13.515   55.037   15.950 -2.275944 20.90584 
1 1 1    5    7   20 o   90.124   8.5971  3361.92  621.489  3490.47  787.972  3150.31  1010.96   91.347   10.835   85.545   15.107 5.801804 18.59081 
1 1 1    5    7   21 o   20.966   9.6389 -273.1085  376.257 -578.6620  425.557  821.180  805.342   19.651   9.4029   46.751   16.735 -27.09941 19.19571 
1 1 1    5    7   22 o  207.588   9.9033 17901.66  1669.24 18468.36  2353.22 17327.72  2368.19  208.095   14.009  201.125   14.601 6.969803 20.23441 
1 1 1    5    7   23 o   81.343   11.392  2840.64  731.797  2329.00  916.818  3738.92  1214.80   71.676   16.141   90.807   17.103 -19.13089 23.51744 
1 1 1    5    7   24 o  120.218   9.9350  6144.83  961.096  5336.71  1284.88  7171.31  1448.10  108.991   14.910  127.016   14.289 -18.02517 20.65154 
1 1 1    5    7   25 o   47.176   15.473  1032.83  684.375  1210.55  765.974  329.494  1523.80   50.469   16.360   46.466   20.536 4.002819 26.25617 
1 1 1    5    9    0 o  315.094   11.548 40365.29  2954.42 41284.78  4189.58 39455.73  4166.87  318.025   16.279  310.851   16.569 7.174255 23.22779 
1 1 1    5    9    1 o  892.478   35.050 327430.69 25399.14 325970.41 43972.07 328161.81 31114.74  876.976   62.155  890.681   43.023 -13.70557 75.59247 
1 1 1    5    9    2 o  723.974   35.045 215230.70 20601.00 216779.80 29148.00 213684.50 29120.46  720.708   50.121  715.391   50.456 5.316772 71.11892 
1 1 1    5    9    3 o  236.944   13.026 22893.71  2496.51 21842.60  3545.99 23926.78  3515.40  230.822   19.091  241.775   18.037 -10.95268 26.26424 
1 1 1    5    9    4 o  365.966   18.570 54651.04  5499.90 51862.06  7799.10 57410.11  7757.15  355.419   27.232  374.269   25.681 -18.85028 37.43140 
1 1 1    5    9    5 f  719.943   29.402 211636.20 17187.44 207780.80 29870.55 213544.50 21014.78  707.147   52.396  722.181   35.838 -15.03345 63.47960 
1 1 1    5    9    6 o  429.426   20.532 75057.38  7159.17   0.0000   0.0000 75057.38  7159.17  ?   ?   429.426   20.532 0.000000 20.53220 
1 1 1    5    9    7 o  973.079   37.341 387590.69 29503.54 437471.00 51186.46 362774.19 36104.43  1024.80   61.804  937.870   47.567 86.92773 77.98914 
1 1 1    5    9    8 o  1027.24   33.808 431657.19 28198.57 435345.41 39878.21 427968.91 39879.39  1027.76   47.786  1018.88   48.204 8.878174 67.87634 
1 1 1    5    9    9 o   99.762   5.7826  4055.34  466.399  4865.09  652.753  3210.76  666.642  109.191   7.4063   88.394   9.4340 20.79713 11.99384 
1 1 1    5    9   10 o  516.246   17.278 108634.10  7242.63 103489.90 10245.24 113773.00 10240.01  502.758   25.097  527.349   23.915 -24.59067 34.66668 
1 1 1    5    9   11 o  380.614   12.864 58995.09  3975.58 55730.24  5624.34 62255.26  5620.29  368.811   18.844  390.450   17.728 -21.63882 25.87246 
1 1 1    5    9   12 o   92.991   7.4189  3537.24  555.508  4482.48  1048.99  3168.84  654.872  104.135   12.667   87.772   9.3320 16.36278 15.73338 
1 1 1    5    9   13 o  422.081   14.944 72731.49  5121.64 74689.20  7246.29 70777.23  7239.89  426.587   20.920  414.581   21.582 12.00623 30.05721 
1 1 1    5    9   14 o  267.661   9.7337 29166.54  2115.43 27519.64  2990.57 30815.88  2992.78  259.196   14.265  274.782   13.414 -15.58606 19.58081 
1 1 1    5    9   15 o  504.841   17.941 104632.10  7354.31 106285.90 10403.58 102980.20 10397.57  505.399   25.433  497.263   25.841 8.136292 36.25735 
1 1 1    5    9   16 o  184.482   8.2552 13856.50  1236.57 15570.25  1735.45 12089.08  1762.41  195.036   11.004  171.514   12.746 23.52191 16.83883 
1 1 1    5    9   17 o   55.232   9.0504  1276.22  391.819  1266.56  503.289  1291.08  624.289   54.621   11.700   55.044   13.950 -0.4228210 18.20733 
1 1 1    5    9   18 o  222.109   9.1149 20165.68  1643.83 20994.15  2348.71 19370.20  2301.46  225.509   12.880  216.506   13.154 9.002792 18.41018 
1 1 1    5    9   19 o  177.843   8.1025 12940.97  1170.03 11865.62  1645.87 14039.63  1663.61  169.090   12.067  184.272   11.171 -15.18271 16.44427 
1 1 1    5    9   20 o   38.906   10.984  642.947  362.205  1275.02  431.426 -866.4978  666.703   54.783   10.070   24.802   11.840 29.98136 15.54342 
1 1 1    5    9   21 o  163.415   8.7204 11035.21  1152.90 10624.86  1562.94 11525.01  1707.54  159.013   12.198  165.361   12.818 -6.347336 17.69421 
1 1 1    5    9   22 o  134.298   8.7951  7496.15  953.767  7938.24  1240.54  6857.08  1491.53  137.236   11.231  125.738   14.899 11.49775 18.65809 
1 1 1    5    9   23 o  127.539   9.0958  6816.71  935.768  7140.04  1230.54  6373.32  1441.00  129.160   11.866  120.095   15.112 9.064957 19.21417 
1 1 1    5    9   24 o   59.732   13.588  1622.50  644.181  1883.54  747.470  868.918  1270.02   63.958   14.701   50.020   20.212 13.93766 24.99333 
1 1 1    5    9   25 o   64.362   22.535  2312.78  1453.45   0.0000   0.0000  2312.78  1453.45  ?   ?    64.362   22.535 0.000000 22.53535 
1 1 1    5   11    0 o  644.151   31.299 169706.09 16370.49   0.0000   0.0000 169706.09 16370.49  ?   ?   644.151   31.299 0.000000 31.29937 
1 1 1    5   11    1 o  1152.41   45.156 547330.19 42253.78 510197.59 73176.55 565903.38 51753.33  1090.61   83.264  1167.79   54.580 -77.18103 99.55836 
1 1 1    5   11    2 o  480.997   23.752 94303.49  9276.38 88089.21 13130.91 100494.90 13106.70  462.468   35.233  494.578   32.824 -32.10922 48.15416 
1 1 1    5   11    3 o  619.439   30.063 156717.50 15120.71 158102.59 21411.18 155339.41 21356.75  618.831   42.876  613.305   43.162 5.526367 60.83823 
1 1 1    5   11    4 o  606.540   42.291 151740.00 20697.65   0.0000   0.0000 151740.00 20697.65  ?   ?   606.540   42.291 0.000000 42.29115 
1 1 1    5   11    5 o  731.555   35.690 218910.80 21199.91   0.0000   0.0000 218910.80 21199.91  ?   ?   731.555   35.690 0.000000 35.69015 
1 1 1    5   11    6 o  279.106   12.846 31657.42  2911.17 27243.54  5170.35 33706.29  3522.62  257.359   25.060  287.544   15.141 -30.18536 29.27927 
1 1 1    5   11    7 f  103.104   9.0343  4351.24  748.697  3631.90  1151.81  4877.56  985.232   93.225   15.779  108.979   11.298 -15.75335 19.40716 
1 1 1    5   11    8 o  370.859   15.023 55946.24  4523.69 62379.55  7959.07 52876.27  5498.09  390.106   25.263  359.847   18.883 30.25952 31.54013 
1 1 1    5   11    9 o  585.251   22.619 139953.59 10748.51 157503.20 18735.08 131343.30 13123.02  616.299   37.619  565.156   28.692 51.14270 47.31189 
1 1 1    5   11   10 f  270.496   10.989 29767.59  2413.60 27137.20  2960.12 34985.18  4169.02  257.700   14.202  292.236   17.652 -34.53629 22.65598 
1 1 1    5   11   11 o  412.615   17.158 69542.66  5748.50 61445.46 10091.45 73432.24  6994.20  383.486   32.722  423.475   20.341 -39.98886 38.52916 
1 1 1    5   11   12 o  565.892   20.460 131296.70  9401.12 134239.00 13302.96 128361.30 13287.44  568.741   28.902  555.846   29.547 12.89490 41.33197 
1 1 1    5   11   13 o   84.378   6.1905  2909.01  421.162  2708.65  583.986  3126.15  607.963   81.093   9.0220   87.230   8.6998 -6.136459 12.53327 
1 1 1    5   11   14 o  304.776   11.243 37864.34  2782.33 36973.68  3938.64 38751.55  3930.99  300.086   16.225  307.323   15.807 -7.236481 22.65160 
1 1 1    5   11   15 o  155.935   7.1527  9891.01  905.632 10377.56  1281.58  9405.72  1279.94  159.271   9.9600  151.537   10.466 7.734161 14.44812 
1 1 1    5   11   16 o  155.283   7.6838  9816.60  968.812 10496.89  1369.73  9135.56  1370.49  160.029   10.601  149.125   11.405 10.90428 15.57122 
1 1 1    5   11   17 o  250.897   9.5218 25707.73  1939.78 27365.41  2765.40 24102.08  2721.65  257.822   13.255  241.742   13.925 16.07968 19.22456 
1 1 1    5   11   18 o  181.666   8.0184 13482.67  1182.78 13971.70  1682.48 13004.86  1663.09  184.030   11.314  177.450   11.607 6.580383 16.20887 
1 1 1    5   11   19 o  200.223   9.2845 16462.75  1509.42 16815.90  2122.64 16101.51  2146.85  200.841   13.088  196.327   13.550 4.513870 18.83880 
1 1 1    5   11   20 o  138.679   8.4124  7930.07  942.783  8100.89  1255.56  7709.25  1427.52  139.355   11.191  135.231   13.168 4.124435 17.28067 
1 1 1    5   11   21 o  100.834   8.9396  4230.24  724.329  4035.75  917.694  4551.61  1179.65   97.593   11.822  102.684   14.556 -5.090714 18.75212 
1 1 1    5   11   22 o   83.653   9.4843  2946.10  632.822  3463.94  759.951  1774.90  1142.89   90.430   10.548   62.558   19.953 27.87193 22.56940 
1 1 1    5   11   23 o   49.968   17.883  1044.43  919.524 -72.0503  2574.59  1207.67  984.453   56.778   25.762   52.782   18.543 3.995804 31.74178 
1 1 1    5   11   24 o   48.002   12.661  1046.87  500.569  1320.57  542.396 -525.2391  1299.93   53.944   12.609   38.648   17.822 15.29578 21.83196 
1 1 1    5   11   25 o   62.650   11.964  1798.01  586.399  1942.07  642.367  1077.67  1436.39   64.742   12.673   50.400   21.046 14.34113 24.56693 
1 1 1    5   13    0 o  594.139   29.012 144064.50 13995.83   0.0000   0.0000 144064.50 13995.83  ?   ?   594.139   29.012 0.000000 29.01161 
1 1 1    5   13    2 o  427.035   30.594 74827.20 10537.84   0.0000   0.0000 74827.20 10537.84  ?   ?   427.035   30.594 0.000000 30.59405 
1 1 1    5   13    3 o  1284.70   91.127 705811.19 94441.24   0.0000   0.0000 705811.19 94441.24  ?   ?   1284.70   91.127 0.000000 91.12702 
1 1 1    5   13    4 o  354.529   18.145 51261.37  5205.74 54772.57  7405.13 47830.75  7319.66  365.772   25.085  341.503   26.607 24.26932 36.56781 
1 1 1    5   13    5 o  1022.81   48.848 431081.50 40567.83 471186.91 57413.84 391094.19 57329.39  1060.53   67.019  962.581   73.915 97.94812 99.77406 
1 1 1    5   13    6 o  171.674   10.957 12024.16  1519.40 12063.75  2222.52 11989.42  2081.87  171.463   16.154  171.039   15.147 0.4235840 22.14504 
1 1 1    5   13    7 o  1018.79   38.973 427356.81 32239.26 479309.50 56003.25 401606.59 39427.55  1063.93   65.142  982.210   49.598 81.71570 81.87445 
1 1 1    5   13    8 o  171.921   8.8934 12043.99  1237.22 10111.60  2325.92 12806.51  1461.07  156.366   18.690  177.195   10.198 -20.82921 21.29110 
1 1 1    5   13    9 o  371.597   18.773 56542.74  5646.02 57532.14  8147.51 55628.68  7831.23  373.143   27.076  367.033   26.455 6.109711 37.85440 
1 1 1    5   13   10 o  329.347   14.043 44214.65  3755.46 41734.73  6672.03 45364.69  4543.55  317.383   26.122  332.887   16.865 -15.50369 31.09320 
1 1 1    5   13   11 o  434.711   17.262 77246.38  6092.83 84612.11 10733.90 73745.02  7400.61  451.133   29.465  423.398   21.599 27.73489 36.53344 
1 1 1    5   13   12 o  316.991   13.680 40995.09  3520.99 38091.27  6280.48 42326.10  4252.05  302.629   25.806  321.352   16.350 -18.72272 30.54905 
1 1 1    5   13   13 o  146.799   7.5673  8787.44  898.922 10398.57  1274.73  7193.69  1267.83  159.499   9.8916  132.296   11.931 27.20390 15.49817 
1 1 1    5   13   14 o  136.931   6.5281  7623.82  725.820  6610.80  1011.52  8699.00  1042.09  127.004   9.8867  145.910   8.8376 -18.90607 13.26088 
1 1 1    5   13   15 o  222.867   9.0843 20236.06  1643.91 21286.30  2323.59 19183.57  2326.09  227.867   12.608  216.159   13.318 11.70802 18.33890 
1 1 1    5   13   16 o  137.734   6.9637  7742.10  776.253  7001.20  1076.27  8545.35  1120.65  130.546   10.236  144.396   9.6131 -13.84912 14.04207 
1 1 1    5   13   17 o  159.648   7.6978 10397.38  997.853  9976.42  1421.66 10806.15  1400.93  155.548   11.334  162.049   10.707 -6.501328 15.59211 
1 1 1    5   13   18 f  192.234   8.6939 15134.07  1357.02 16025.29  1907.90 14221.58  1930.52  196.694   12.004  184.952   12.937 11.74188 17.64765 
1 1 1    5   13   19 o  119.883   7.8506  5913.17  759.965  6052.32  1011.02  5732.43  1152.29  120.691   10.419  116.899   12.326 3.792633 16.13928 
1 1 1    5   13   20 f  149.314   12.246  9365.68  1471.66  8739.79  3275.43  9523.98  1647.29  133.113   30.899  149.965   13.679 -16.85190 33.79160 
1 1 1    5   13   21 o  303.487   14.830 39367.16  3654.42 45353.32  7107.98 37216.30  4260.66  304.076   29.146  291.085   18.117 12.99109 34.31766 
1 1 1    5   13   22 o  133.107   9.6434  7434.93  1035.18  7218.96  1239.14  7933.86  1883.37  130.077   11.863  132.495   17.970 -2.418701 21.53248 
1 1 1    5   13   23 o   35.993   11.985  538.008  410.013  768.883  436.252 -1209.9230  1200.36   41.745   12.141   33.592   15.996 8.152851 20.08148 
1 1 1    5   13   24 o   91.421   10.051  3624.46  733.805  3246.47  825.714  5044.49  1600.43   85.162   12.297   99.142   20.556 -13.97912 23.95342 
1 1 1    5   13   25 o   61.631   12.518  1780.78  605.027  1780.78  605.027   0.0000   0.0000   61.631   12.518  ?   ?  0.000000 12.51756 
1 1 1    5   15    0 o  472.162   23.544 90815.28  9026.24   0.0000   0.0000 90815.28  9026.24  ?   ?   472.162   23.544 0.000000 23.54386 
1 1 1    5   15    1 o  323.172   14.004 42452.05  3674.82 41603.03  6380.28 42873.51  4495.33  318.554   24.864  324.224   17.137 -5.670013 30.19740 
1 1 1    5   15    2 o  376.259   15.797 57565.62  4826.24 63542.18  8349.91 54567.24  5914.25  393.900   26.257  365.614   19.998 28.28644 33.00572 
1 1 1    5   15    3 o  366.193   18.799 54711.64  5570.87 59878.29  7921.21 49655.16  7836.29  382.358   25.663  347.714   27.993 34.64322 37.97608 
1 1 1    5   15    4 o  468.439   23.121 89437.88  8794.22 97743.30 12491.92 81277.20 12382.60  487.859   31.707  444.170   34.607 43.68866 46.93623 
1 1 1    5   15    5 o  997.188   47.949 411862.09 38823.64 441131.09 54968.29 382727.69 54841.75  1020.70   66.691  947.338   71.831 73.36316 98.01744 
1 1 1    5   15    6 o  679.765   32.700 189856.00 18048.40 208616.80 25594.32 171299.20 25454.84  707.571   44.780  639.075   49.439 68.49622 66.70429 
1 1 1    5   15    7 o  989.389   39.118 406312.41 31425.89 406161.69 54629.14 406386.91 38419.29  963.976   70.278  983.989   48.086 -20.01202 85.15479 
1 1 1    5   15    8 o  313.849   18.444 40374.59  4679.49 28818.35  6845.00 50514.39  6411.80  261.920   32.913  350.389   22.658 -88.46902 39.95797 
1 1 1    5   15    9 o  399.736   15.530 65196.21  5040.72 77060.98  8954.45 59692.27  6098.83  432.010   25.642  381.406   19.761 50.60419 32.37328 
1 1 1    5   15   10 o  195.819   9.1988 15597.79  1462.60 17759.52  2749.19 14744.41  1727.33  207.871   16.422  189.965   11.249 17.90550 19.90513 
1 1 1    5   15   11 o  475.063   18.859 92471.80  7274.57 100319.20 12842.60 88764.35  8827.27  489.427   32.501  463.694   23.522 25.73294 40.12041 
1 1 1    5   15   12 o  452.653   18.562 84038.46  6822.26 81775.56 12069.95 85100.81  8270.05  440.085   34.043  454.448   22.412 -14.36307 40.75785 
1 1 1    5   15   13 o  625.618   25.167 162377.30 12784.44 166770.91 22424.82 160261.70 15560.92  618.393   44.969  617.326   31.145 1.067017 54.70080 
1 1 1    5   15   14 o  197.122   9.9824 15879.01  1592.53 18300.56  3045.25 14967.47  1868.38  210.197   18.017  191.066   12.106 19.13063 21.70612 
1 1 1    5   15   15 o  360.905   15.308 53507.54  4485.95 55007.43  8087.99 52841.13  5391.19  360.126   27.877  357.177   18.654 2.948334 33.54243 
1 1 1    5   15   16 o  141.031   9.5833  8164.31  1090.89  9467.29  2556.03  7874.11  1206.27  148.809   21.801  138.279   10.830 10.53079 24.34272 
1 1 1    5   15   17 o  156.339   8.4093 10023.14  1063.57 11994.36  1490.58  7978.62  1518.04  170.533   10.821  138.226   13.706 32.30740 17.46293 
1 1 1    5   15   18 f  102.986   11.593  4436.26  952.574  2664.20  2129.74  4879.42  1065.04   79.094   27.302  107.852   12.387 -28.75811 29.98071 
1 1 1    5   15   19 o  114.818   11.206  5515.29  1031.39  5711.62  2423.16  5471.86  1139.79  109.848   27.289  113.947   12.526 -4.098480 30.02687 
1 1 1    5   15   20 o  289.060   13.295 35206.05  3120.35 33374.24  3859.83 38661.38  5301.19  277.616   17.208  292.567   22.488 -14.95151 28.31638 
1 1 1    5   15   21 o  159.645   10.466 10695.99  1349.17 10897.76  1602.06 10203.88  2501.97  160.097   12.421  148.666   21.339 11.43066 24.69063 
1 1 1    5   15   22 o   97.185   8.6809  3964.87  677.803  4455.56  821.202  2916.14  1200.55  102.537   9.9904   78.507   19.031 24.02982 21.49419 
1 1 1    5   15   23 o   76.873   9.2657  2528.53  566.699  3012.77  654.490  1078.01  1132.76   83.750   9.8104   50.990   19.542 32.76072 21.86605 
1 1 1    5   15   24 o  102.373   9.8876  4564.90  811.664  4223.14  915.794  5816.53  1752.59   97.023   11.873  104.022   21.462 -6.999619 24.52711 
1 1 1    5   17    0 o  107.952   10.222  4777.79  885.313   0.0000   0.0000  4777.79  885.313  ?   ?   107.952   10.222 0.000000 10.22188 
1 1 1    5   17    1 o  276.464   12.642 31073.96  2837.97 30530.19  4956.40 31339.20  3461.59  272.692   22.588  277.117   15.446 -4.425232 27.36417 
1 1 1    5   17    2 o  380.791   16.178 59014.34  5002.00 55238.50  8666.97 60900.14  6125.03  366.217   29.394  386.112   19.601 -19.89453 35.33048 
1 1 1    5   17    3 o  221.512   13.286 20029.40  2378.57 20486.89  3434.90 19607.91  3296.95  223.394   19.121  218.561   18.760 4.833405 26.78702 
1 1 1    5   17    4 f  406.216   20.776 67524.63  6829.57 70791.34  9722.54 64342.62  9595.66  414.418   29.078  394.763   30.165 19.65497 41.89784 
1 1 1    5   17    5 o  400.994   20.716 65865.60  6721.91 65646.50  9586.94 66077.48  9427.50  398.432   29.851  399.893   29.237 -1.460480 41.78370 
1 1 1    5   17    6 o  428.559   31.747 76272.42 10968.74 76272.42 10968.74   0.0000   0.0000  428.559   31.747  ?   ?  0.000000 31.74738 
1 1 1    5   17    7 o  421.190   15.915 72384.36  5442.68 79878.17  9686.76 68927.18  6579.43  439.522   27.278  410.456   19.742 29.06641 33.67209 
1 1 1    5   17    8 o  479.009   16.876 93724.80  6563.71 116829.80 11636.65 82943.70  7948.90  531.607   27.048  449.707   21.769 81.90094 34.72007 
1 1 1    5   17    9 o  145.150   9.0004  8602.66  1055.52  5225.23  2138.89  9689.96  1213.59  110.554   24.474  154.012   9.7550 -43.45705 26.34630 
1 1 1    5   17   10 o  251.816   12.321 25847.63  2519.23 18831.46  4644.83 28771.76  2998.60  211.541   27.708  265.164   13.977 -53.62245 31.03349 
1 1 1    5   17   11 o  301.435   13.290 37084.70  3252.91 35068.88  5937.50 37949.23  3888.38  290.043   25.470  304.197   15.797 -14.15417 29.97077 
1 1 1    5   17   12 o  163.933   9.6235 10982.55  1275.35  7477.61  2573.77 12123.24  1468.29  132.275   24.877  172.155   10.555 -39.88017 27.02343 
1 1 1    5   17   13 o  341.005   14.566 47607.88  4033.12 48314.86  7365.77 47305.17  4819.85  339.123   26.973  338.835   17.579 0.2884521 32.19571 
1 1 1    5   17   14 o  272.421   12.339 30352.25  2729.40 30168.33  5118.98 30425.31  3226.26  267.977   23.773  271.955   14.665 -3.978058 27.93203 
1 1 1    5   17   15 o  161.230   9.6684 10655.65  1259.89 14048.48  2821.82  9810.91  1408.02  182.862   19.296  154.404   11.310 28.45786 22.36641 
1 1 1    5   17   16 o  147.679   9.5487  8966.24  1138.86 11629.11  2670.78  8374.45  1259.06  164.962   20.372  142.411   10.973 22.55162 23.13954 
1 1 1    5   17   17 o   74.540   13.077  2367.44  762.587 -416.2559  2289.79  2714.71  808.756   56.647   25.098   79.994   12.889 -23.34703 28.21454 
1 1 1    5   17   18 o   81.271   15.884  2874.25  1010.57  2260.21  2154.81  3047.39  1144.20   74.651   27.283   83.243   17.485 -8.592232 32.40495 
1 1 1    5   17   19 o  148.510   15.051  9434.69  1789.91 12030.83  3083.12  8114.84  2198.30  161.909   24.194  134.605   20.783 27.30444 31.89487 
1 1 1    5   17   20 o   59.563   17.482  1585.91  900.799  2537.03  2889.62  1483.53  948.041   77.669   30.789   57.947   18.134 19.72115 35.73263 
1 1 1    5   17   21 o   48.108   17.715  895.065  910.869 -945.7060  3136.44  1064.62  951.896   58.800   27.313   50.922   18.198 7.878880 32.82024 
1 1 1    5   17   22 o   79.949   18.483  3052.08  1175.82   0.0000   0.0000  3052.08  1175.82  ?   ?    79.949   18.483 0.000000 18.48267 
1 1 1    5   17   23 o   59.295   20.924  1788.38  1254.65   0.0000   0.0000  1788.38  1254.65  ?   ?    59.295   20.924 0.000000 20.92378 
1 1 1    5   19    0 o  308.770   17.057 38994.77  4259.70   0.0000   0.0000 38994.77  4259.70  ?   ?   308.770   17.057 0.000000 17.05664 
1 1 1    5   19    1 o  366.177   15.860 54649.89  4715.42 57848.68  8242.34 53093.56  5749.22  374.350   27.305  360.009   19.743 14.34137 33.69490 
1 1 1    5   19    2 o  390.745   16.995 62279.70  5392.11 66812.58  9368.35 60034.17  6593.79  401.933   28.899  382.539   21.313 19.39395 35.90814 
1 1 1    5   19    3 o  612.000   25.439 153793.00 12641.39 177164.09 21895.49 142107.30 15482.50  649.477   41.741  585.279   32.710 64.19763 53.03043 
1 1 1    5   19    4 o  413.029   31.103 70906.72 10354.21 70906.72 10354.21   0.0000   0.0000  413.029   31.103  ?   ?  0.000000 31.10263 
1 1 1    5   19    5 o   96.241   10.961  3818.02  841.283  4511.72  1273.12  3280.32  1120.87  104.036   15.548   88.280   16.235 15.75623 22.47957 
1 1 1    5   19    6 f  602.203   29.952 150068.09 14645.62 153584.00 20837.47 146635.50 20588.84  601.917   42.917  587.769   43.449 14.14728 61.07052 
1 1 1    5   19    7 o  291.625   16.192 34841.30  3819.05 37074.18  5546.96 32828.97  5265.90  299.520   22.983  281.691   23.230 17.82895 32.67841 
1 1 1    5   19    8 o  323.886   16.306 42979.94  4274.48 29570.58  7749.52 48843.54  5124.52  262.976   37.342  344.918   18.364 -81.94186 41.61299 
1 1 1    5   19    9 o  533.831   22.611 117342.80  9800.96 108346.00 17323.73 121578.10 11886.09  502.344   42.883  541.753   27.021 -39.40955 50.68582 
1 1 1    5   19   10 o  460.185   21.644 87231.04  8087.46 67729.63 14369.99 96271.61  9784.11  393.651   45.815  481.636   25.106 -87.98462 52.24268 
1 1 1    5   19   11 o  363.535   17.673 54244.65  5216.59 36156.69  9423.16 62237.48  6264.01  287.385   41.592  388.336   19.933 -100.9509 46.12173 
1 1 1    5   19   12 o  238.443   11.056 23196.10  2140.59 24031.68  4166.45 22896.45  2495.06  240.133   21.600  236.317   13.054 3.816147 25.23777 
1 1 1    5   19   13 o  124.423   8.8769  6340.92  890.923  8699.15  2106.88  5827.41  983.149  144.079   18.432  119.066   10.270 25.01335 21.09987 
1 1 1    5   19   14 o  151.107   9.8188  9366.28  1198.18  9230.65  3085.11  9390.37  1300.25  145.314   27.146  151.164   10.662 -5.850327 29.16424 
1 1 1    5   19   15 o   61.353   15.528  1621.09  774.215 -1049.4220  2352.19  1945.56  819.901   54.642   24.725   67.216   15.359 -12.57394 29.10699 
1 1 1    5   19   16 o   83.809   16.911  3046.69  1111.10  8635.49  2697.53  1904.77  1219.34  139.115   24.790   66.598   20.521 72.51749 32.18153 
1 1 1    5   19   17 o  123.450   14.726  6469.61  1446.91  8316.86  3176.89  5986.14  1625.27  132.193   30.252  117.623   17.555 14.56973 34.97643 
1 1 1    5   19   18 o  100.695   12.596  4297.23  1007.34  5904.37  3207.47  4121.37  1061.02  108.062   33.280   98.220   13.675 9.841469 35.98008 
1 1 1    5   19   19 o  122.244   12.330  6334.79  1207.17  900.177  3253.27  7202.56  1299.98   70.380   30.582  130.374   12.431 -59.99355 33.01224 
1 1 1    5   19   20 o  114.683   13.461  5681.80  1229.59  7300.26  3493.08  5452.89  1313.67  112.649   34.736  111.602   14.867 1.047211 37.78394 
1 1 1    5   19   21 o   33.602   15.031 -220.1709  841.787   0.0000   0.0000 -220.1709  841.787  ?   ?    33.602   15.031 0.000000 15.03144 
1 1 1    5   19   22 o   83.292   20.306  3500.99  1360.91   0.0000   0.0000  3500.99  1360.91  ?   ?    83.292   20.306 0.000000 20.30635 
1 1 1    5   19   23 o   29.596   14.584 -2053.7800  1247.89   0.0000   0.0000 -2053.7800  1247.89  ?   ?    29.596   14.584 0.000000 14.58407 
1 1 1    5   21    0 o  321.079   25.723 42693.22  6649.87   0.0000   0.0000 42693.22  6649.87  ?   ?   321.079   25.723 0.000000 25.72315 
1 1 1    5   21    1 o  569.135   42.052 137043.70 19295.29   0.0000   0.0000 137043.70 19295.29  ?   ?   569.135   42.052 0.000000 42.05174 
1 1 1    5   21    2 o  107.683   10.259  4760.82  886.132  6229.13  1580.34  4087.46  1070.20  122.462   16.298   99.224   13.644 23.23800 21.25534 
1 1 1    5   21    3 o  343.550   15.608 48172.85  4353.79 54566.88  7588.44 45035.25  5315.74  363.070   25.911  331.050   19.868 32.01987 32.65123 
1 1 1    5   21    4 o  312.671   17.661 40096.99  4465.49 38485.63  6432.31 41596.08  6204.18  304.424   26.280  317.073   24.283 -12.64978 35.78136 
1 1 1    5   21    5 o  379.366   20.411 59177.49  6264.01 57834.25  8997.33 60440.99  8726.20  372.302   30.018  381.182   28.398 -8.879974 41.32216 
1 1 1    5   21    6 o  180.184   13.137 13308.38  1908.77 11417.18  2825.32 14896.38  2588.96  165.376   21.553  190.118   16.949 -24.74184 27.41881 
1 1 1    5   21    7 o  118.031   12.370  5741.21  1167.92  6956.72  1827.19  4901.54  1518.66  129.135   17.908  107.997   17.948 21.13824 25.35443 
1 1 1    5   21    8 o  212.316   10.779 18411.98  1852.21 17673.29  3670.32 18664.38  2145.43  205.954   22.304  213.560   12.426 -7.605621 25.53221 
1 1 1    5   21    9 o  282.357   12.061 32524.18  2765.28 33744.45  5251.03 32055.91  3252.87  284.955   22.888  279.673   14.373 5.281891 27.02681 
1 1 1    5   21   10 o  311.789   13.089 39718.16  3313.75 43027.11  6237.78 38417.18  3911.30  321.255   24.089  305.800   15.806 15.45532 28.81164 
1 1 1    5   21   11 o  192.313   10.977 15140.10  1706.96  9945.24  3517.98 16739.71  1952.16  151.328   29.691  202.100   11.949 -50.77161 32.00581 
1 1 1    5   21   12 f  292.203   17.191 35305.36  4060.71 34375.34  6039.41 36072.70  5485.85  284.844   26.413  293.207   23.233 -8.363892 35.17684 
1 1 1    5   21   13 o  187.133   14.126 14486.52  2130.59 16286.48  3541.64 13465.66  2667.21  195.747   22.705  179.146   18.608 16.60034 29.35551 
1 1 1    5   21   14 o  169.747   14.170 11992.30  1935.19 12105.69  3373.84 11936.70  2362.45  166.034   25.869  168.264   17.550 -2.230606 31.25986 
1 1 1    5   21   15 o   32.825   12.913  262.531  504.626  1412.61  2582.99  216.894  514.541   71.820   28.894   32.287   12.929 39.53298 31.65480 
1 1 1    5   21   16 o   96.588   11.145  3905.17  858.003  6981.21  3116.45  3652.89  892.495  120.348   31.518   93.127   12.088 27.22142 33.75673 
1 1 1    5   21   17 o  144.625   11.725  8755.34  1365.02  9936.85  3853.16  8585.78  1459.69  140.044   34.185  142.832   12.719 -2.788269 36.47423 
1 1 1    5   21   18 o   90.464   13.383  3518.23  953.346  2987.33  3079.80  3574.50  1002.59   82.583   32.068   90.959   14.026 -8.376137 35.00100 
1 1 1    5   21   19 o   20.198   10.116 -1930.6490  705.511  126.803  3568.93 -2014.3199  719.714   67.469   30.499   20.228   10.144 47.24075 32.14167 
1 1 1    5   21   20 f   82.609   16.926  3130.36  1097.16  5041.33  4404.21  3003.93  1132.87   90.108   37.172   80.414   17.819 9.694054 41.22268 
1 1 1    5   21   21 o   81.500   17.528  3158.22  1125.47   0.0000   0.0000  3158.22  1125.47  ?   ?    81.500   17.528 0.000000 17.52799 
1 1 1    5   21   22 o   70.972   20.773  2698.77  1273.49   0.0000   0.0000  2698.77  1273.49  ?   ?    70.972   20.773 0.000000 20.77345 
1 1 1    5   23    0 f  376.877   29.809 59298.84  9047.45   0.0000   0.0000 59298.84  9047.45  ?   ?   376.877   29.809 0.000000 29.80896 
1 1 1    5   23    1 o  208.259   20.760 17971.02  3463.75   0.0000   0.0000 17971.02  3463.75  ?   ?   208.259   20.760 0.000000 20.76024 
1 1 1    5   23    2 o  248.328   15.896 25299.91  3188.36 24951.45  4672.34 25603.58  4361.73  245.026   23.784  248.686   21.821 -3.659882 32.27789 
1 1 1    5   23    3 o  140.146   13.119  8079.54  1475.52  7574.47  2271.89  8448.01  1940.48  134.136   21.592  142.705   17.087 -8.569031 27.53497 
1 1 1    5   23    4 o  238.868   13.073 23342.84  2526.00 23563.41  4409.00 23235.07  3081.94  238.096   23.097  237.854   16.052 0.2413025 28.12671 
1 1 1    5   23    5 o  369.647   20.863 56349.30  6236.24 48659.41  9003.56 63440.63  8646.06  339.366   33.096  390.128   27.470 -50.76144 43.01052 
1 1 1    5   23    6 o  552.613   28.560 127439.10 12771.11 128089.10 18275.37 126818.60 17854.16  545.893   41.542  543.742   40.736 2.150757 58.18231 
1 1 1    5   23    7 o  299.787   17.490 36982.89  4238.92 38011.05  6254.88 36109.60  5764.58  301.607   25.789  294.375   24.336 7.231903 35.45832 
1 1 1    5   23    8 o  258.388   16.104 27465.56  3361.79 28010.73  5052.53 27032.47  4503.31  258.811   24.329  254.902   21.973 3.908417 32.78227 
1 1 1    5   23    9 o  197.394   14.316 16031.88  2278.91 15783.99  3584.37 16200.07  2952.49  193.773   23.245  197.535   18.628 -3.761627 29.78839 
1 1 1    5   23   10 o  220.520   14.899 20035.53  2652.01 20301.55  4088.51 19842.30  3484.50  219.720   23.271  218.215   19.884 1.505692 30.60937 
1 1 1    5   23   11 o  269.495   16.496 30050.95  3592.33 31881.51  5489.69 28680.05  4750.71  274.397   24.911  261.098   22.633 13.29868 33.65691 
1 1 1    5   23   12 o   67.231   10.336  1891.72  546.185  1712.64  2558.79  1900.27  559.070   75.273   29.230   67.342   10.573 7.931038 31.08305 
1 1 1    5   23   13 o  134.595   9.4878  7455.83  1030.25 12363.51  2933.60  6765.39  1100.33  169.374   21.840  127.939   10.690 41.43530 24.31583 
1 1 1    5   23   14 o  340.643   15.627 48539.20  4322.22 49416.61  8394.88 48222.72  5041.83  327.738   31.953  337.114   18.490 -9.375275 36.91687 
1 1 1    5   23   15 o  104.474   11.168  4562.45  932.707  384.620  3387.40  4905.18  970.211   71.527   31.144  108.361   11.188 -36.83420 33.09230 
1 1 1    5   23   16 o   61.959   14.648  1680.33  725.311  1089.65  3393.18  1708.61  742.472   74.115   31.707   62.444   14.859 11.67063 35.01603 
1 1 1    5   23   17 o   72.803   16.340  2357.17  942.198  2861.99  3772.37  2323.58  973.037   84.465   34.571   72.104   16.912 12.36054 38.48649 
1 1 1    5   23   18 o   78.196   15.892  2729.83  974.623  2124.40  3533.21  2779.70  1013.96   77.058   32.639   78.717   16.396 -1.659264 36.52611 
1 1 1    5   23   19 o   59.006   18.802  1593.93  1015.00  1731.19  4544.16  1586.73  1041.30   76.295   34.459   58.938   19.072 17.35713 39.38424 
1 1 1    5   23   20 o   31.593   14.612 -540.4973  883.308   0.0000   0.0000 -540.4973  883.308  ?   ?    31.593   14.612 0.000000 14.61176 
1 1 1    5   23   21 o   39.983   16.975  330.534  959.198   0.0000   0.0000  330.534  959.198  ?   ?    39.983   16.975 0.000000 16.97488 
1 1 1    5   25    0 o  223.783   15.889 20592.67  2868.27   0.0000   0.0000 20592.67  2868.27  ?   ?   223.783   15.889 0.000000 15.88862 
1 1 1    5   25    1 o   90.551   16.888  3464.91  1196.04   0.0000   0.0000  3464.91  1196.04  ?   ?    90.551   16.888 0.000000 16.88844 
1 1 1    5   25    2 o  134.492   14.761  7481.64  1585.43   0.0000   0.0000  7481.64  1585.43  ?   ?   134.492   14.761 0.000000 14.76088 
1 1 1    5   25    3 o  428.804   19.235 75559.40  6697.14 67820.70 11742.23 79290.46  8153.29  398.511   36.701  437.550   23.030 -39.03873 43.32859 
1 1 1    5   25    4 o  465.129   20.329 89077.65  7677.62 83974.66 13376.57 91584.60  9375.72  442.857   37.554  469.471   24.682 -26.61465 44.93892 
1 1 1    5   25    5 o  108.247   14.644  4879.06  1254.08  5000.50  2098.71  4811.62  1564.01  107.745   24.538  106.682   18.739 1.063728 30.87531 
1 1 1    5   25    6 o  170.169   14.402 11932.61  1971.30 12325.00  3107.82 11668.46  2549.91  171.082   22.951  167.320   19.112 3.761520 29.86658 
1 1 1    5   25    7 o  279.190   17.279 32157.82  3897.72 33812.31  5816.30 30809.15  5251.30  283.702   25.522  271.214   24.097 12.48788 35.10061 
1 1 1    5   25    8 o  112.173   14.884  5248.93  1322.14  4329.25  2360.54  5669.33  1595.98   99.956   27.979  116.107   17.470 -16.15086 32.98523 
1 1 1    5   25    9 o  139.004   14.239  8012.24  1584.39  7136.27  2641.44  8504.52  1980.16  128.013   26.292  142.526   17.477 -14.51256 31.57115 
1 1 1    5   25   10 o  295.086   11.338 35663.69  2716.56 45513.60  5643.38 32692.90  3099.26  329.143   21.229  282.004   13.535 47.13922 25.17718 
1 1 1    5   25   11 o  112.699   9.1184  5227.28  827.252  7102.70  3113.06  5084.78  858.105  124.834   30.883  111.058   9.6107 13.77558 32.34339 
1 1 1    5   25   12 o  225.871   10.631 20969.80  1949.75 28955.50  4533.90 19157.90  2159.65  259.656   21.704  215.073   12.420 44.58293 25.00607 
1 1 1    5   25   13 o  108.213   9.4615  4845.77  822.986  3636.32  2817.02  4958.62  860.528   90.665   31.394  109.404   9.7907 -18.73830 32.88540 
1 1 1    5   25   14 o  161.405   10.754 10813.74  1401.28 14282.82  3952.88 10315.13  1498.60  175.047   28.814  157.263   11.823 17.78387 31.14515 
1 1 1    5   25   15 o   93.478   11.932  3695.40  884.998  5413.08  3859.14  3600.05  909.230  103.212   36.667   92.074   12.484 11.13839 38.73370 
1 1 1    5   25   16 o  170.632   12.057 12257.10  1659.73 11022.02  4565.38 12445.20  1781.63  139.800   38.832  171.511   12.888 -31.71135 40.91467 
1 1 1    5   25   17 o   99.631   13.058  4275.82  1030.92  9903.23  3899.05  3852.84  1068.97  132.540   35.513   93.888   14.488 38.65162 38.35468 
1 1 1    5   25   18 o  150.559   12.494  9737.31  1513.64 10470.96  5668.81  9680.99  1570.66  116.038   43.895  149.754   13.048 -33.71552 45.79325 
1 1 1    5   25   19 o   86.419   17.867  3530.74  1212.28   0.0000   0.0000  3530.74  1212.28  ?   ?    86.419   17.867 0.000000 17.86670 
1 1 1    5   25   20 o   45.355   18.695  658.512  1112.92   0.0000   0.0000  658.512  1112.92  ?   ?    45.355   18.695 0.000000 18.69533 
1 1 1    5   25   21 o   69.933   25.444  3220.83  1871.10   0.0000   0.0000  3220.83  1871.10  ?   ?    69.933   25.444 0.000000 25.44431 
1 1 1    5   27    0 o  146.348   16.358  8892.63  1910.56   0.0000   0.0000  8892.63  1910.56  ?   ?   146.348   16.358 0.000000 16.35793 
1 1 1    5   27    1 o  325.298   28.461 44641.57  7441.68   0.0000   0.0000 44641.57  7441.68  ?   ?   325.298   28.461 0.000000 28.46056 
1 1 1    5   27    2 o   45.088   19.254 -15.5442  1247.13   0.0000   0.0000 -15.5442  1247.13  ?   ?    45.088   19.254 0.000000 19.25391 
1 1 1    5   27    3 o  260.298   17.964 28004.49  3773.47 27636.86  5703.23 28290.73  5032.48  255.409   27.957  259.806   24.132 -4.397141 36.93169 
1 1 1    5   27    4 o  149.116   16.146  9233.46  1923.70  8540.10  3074.10  9679.74  2466.28  140.374   27.953  151.709   20.550 -11.33513 34.69423 
1 1 1    5   27    5 o   96.110   16.420  3900.40  1235.36  2007.84  2350.61  4622.60  1452.06   76.847   28.428  104.546   17.740 -27.69914 33.50919 
1 1 1    5   27    6 o  150.324   14.638  9361.74  1764.02  9337.69  3093.93  9373.33  2147.21  146.818   26.946  149.654   18.034 -2.836349 32.42399 
1 1 1    5   27    7 o  188.511   15.726 14738.30  2385.11 15634.01  3735.05 14121.56  3099.31  191.393   24.604  182.906   21.266 8.486694 32.52069 
1 1 1    5   27    8 o  135.413   15.121  7655.65  1634.19  9355.82  2790.15  6767.87  2016.20  147.046   24.212  125.766   20.446 21.27974 31.68986 
1 1 1    5   27    9 o   81.569   20.289  2904.87  1338.22  5030.85  3062.04  2402.94  1487.83  105.708   32.510   74.796   22.594 30.91209 39.59037 
1 1 1    5   27   10 o  146.002   11.015  8812.89  1296.16  7392.93  4092.29  8971.23  1366.52  124.216   37.459  147.190   11.526 -22.97324 39.19245 
1 1 1    5   27   11 o  228.485   11.100 21521.28  2059.36 30430.08  5319.46 19950.67  2233.53  262.572   25.262  219.170   12.604 43.40253 28.23202 
1 1 1    5   27   12 o  114.705   9.5164  5447.53  878.324 10326.67  3781.98  5169.37  903.014  146.388   32.649  111.586   10.075 34.80270 34.16835 
1 1 1    5   27   13 o  157.627   10.952 10338.36  1393.03  3647.84  4612.85 11009.74  1461.25   94.820   38.449  162.622   11.133 -67.80117 40.02840 
1 1 1    5   27   14 o   59.220   13.502  1530.12  634.848  447.527  3754.68  1561.98  644.122   72.897   32.226   59.827   13.571 13.06966 34.96724 
1 1 1    5   27   15 o   94.481   12.221  3805.27  915.549  4297.59  3631.28  3771.85  946.114   92.359   35.085   93.869   12.743 -1.509842 37.32752 
1 1 1    5   27   16 o   99.204   49.330  2447.17 15515.50  3270.00 23237.73  1785.27 20841.76  102.732   52.213  101.266   51.251 1.466042 73.16328 
1 1 1    5   27   17 o   56.163   17.427  1434.25  877.614  5774.49  5345.09  1314.00  889.689   93.211   39.834   54.188   17.636 39.02243 43.56290 
1 1 1    5   27   18 o   63.721   18.255  1948.90  992.966   0.0000   0.0000  1948.90  992.966  ?   ?    63.721   18.255 0.000000 18.25536 
1 1 1    5   27   19 o   77.662   19.944  3096.41  1264.21   0.0000   0.0000  3096.41  1264.21  ?   ?    77.662   19.944 0.000000 19.94419 
1 1 1    5   27   20 o   93.171   20.056  4649.71  1472.34   0.0000   0.0000  4649.71  1472.34  ?   ?    93.171   20.056 0.000000 20.05575 
1 1 1    5   29    0 o  171.427   25.879 12619.99  3489.97   0.0000   0.0000 12619.99  3489.97  ?   ?   171.427   25.879 0.000000 25.87863 
1 1 1    5   29    1 o   73.671   21.961  2296.20  1412.51   0.0000   0.0000  2296.20  1412.51  ?   ?    73.671   21.961 0.000000 21.96056 
1 1 1    5   29    2 o  418.283   24.641 73782.29  8331.91   0.0000   0.0000 73782.29  8331.91  ?   ?   418.283   24.641 0.000000 24.64104 
1 1 1    5   29    3 o  289.967   19.849 35120.66  4645.27   0.0000   0.0000 35120.66  4645.27  ?   ?   289.967   19.849 0.000000 19.84921 
1 1 1    5   29    4 o  156.408   15.657 10191.42  1961.68  4791.05  3631.29 12416.90  2331.10  105.977   35.668  172.462   16.863 -66.48473 39.45354 
1 1 1    5   29    5 f  193.242   15.340 15520.68  2387.14 15191.04  4441.09 15654.61  2830.86  185.061   30.627  193.156   18.267 -8.094757 35.66027 
1 1 1    5   29    6 o   89.178   19.063  3447.41  1338.53  3089.79  2375.72  3613.74  1620.17   85.881   28.851   90.720   22.180 -4.839180 36.39124 
1 1 1    5   29    7 o  229.721   16.137 22069.59  2990.82 28731.57  5504.26 19278.68  3562.63  256.021   26.879  212.516   20.917 43.50421 34.05910 
1 1 1    5   29    8 o  140.768   17.421  8430.41  1948.72 12652.73  3807.99  6932.34  2268.23  166.977   29.147  125.288   23.149 41.68860 37.22154 
1 1 1    5   29    9 o   66.211   22.090  1824.79  1392.69  6601.98  3596.88  982.297  1510.51  116.866   35.091   57.538   22.426 59.32825 41.64481 
1 1 1    5   29   10 o  189.248   9.8113 14779.49  1502.46 25178.73  4947.61 13723.07  1576.93  236.609   26.192  182.054   10.715 54.55527 28.29917 
1 1 1    5   29   11 o  134.692   9.7857  7518.34  1062.92 11690.45  4562.27  7278.88  1092.99  150.732   37.444  132.389   10.248 18.34392 38.82116 
1 1 1    5   29   12 o   19.206   9.0293 -377.5758  360.151  2832.15  3229.03 -418.0081  362.412   83.507   32.721   18.875   8.9297 64.63156 33.91803 
1 1 1    5   29   13 o  104.999   10.464  4623.39  880.251 12377.18  4072.48  4243.38  901.563  155.331   33.290  100.295   11.266 55.03675 35.14495 
1 1 1    5   29   14 o  146.144   11.722  9022.54  1379.31  4635.22  5042.55  9377.35  1434.00   94.815   39.498  148.887   11.963 -54.07224 41.27025 
1 1 1    5   29   15 o  101.041   12.996  4413.65  1041.50  3054.68  5507.90  4464.05  1060.63   85.806   38.412  101.541   13.175 -15.73553 40.60855 
1 1 1    5   29   16 o   83.950   13.802  3122.02  908.094 12214.47  4828.99  2788.69  924.590  131.592   40.886   78.662   15.024 52.93051 43.55870 
1 1 1    5   29   17 o   47.119   18.148  852.615  980.086   0.0000   0.0000  852.615  980.086  ?   ?    47.119   18.148 0.000000 18.14778 
1 1 1    5   29   18 o   47.460   18.823  893.804  1080.52   0.0000   0.0000  893.804  1080.52  ?   ?    47.460   18.823 0.000000 18.82332 
1 1 1    5   29   19 o   25.958   12.703 -1378.7990  896.447   0.0000   0.0000 -1378.7990  896.447  ?   ?    25.958   12.703 0.000000 12.70329 
1 1 1    5   31    0 o  238.054   19.868 24012.89  3805.16   0.0000   0.0000 24012.89  3805.16  ?   ?   238.054   19.868 0.000000 19.86762 
1 1 1    5   31    1 o  250.039   19.946 26495.20  4015.74   0.0000   0.0000 26495.20  4015.74  ?   ?   250.039   19.946 0.000000 19.94565 
1 1 1    5   31    2 o  221.712   19.502 20845.20  3475.12   0.0000   0.0000 20845.20  3475.12  ?   ?   221.712   19.502 0.000000 19.50215 
1 1 1    5   31    3 o   60.598   22.670  1247.18  1503.13   0.0000   0.0000  1247.18  1503.13  ?   ?    60.598   22.670 0.000000 22.67029 
1 1 1    5   31    4 o  102.355   21.275  4611.08  1710.42  6064.49  4090.37  4303.09  1882.94  113.598   37.855   98.082   23.869 15.51634 44.75214 
1 1 1    5   31    5 o  159.923   17.935 10895.80  2288.78 13459.12  4852.05 10162.18  2595.72  166.808   36.810  152.839   21.512 13.96864 42.63490 
1 1 1    5   31    6 o  164.080   18.107 11506.56  2372.17 14682.76  5060.73 10612.18  2685.46  173.323   37.081  155.773   21.832 17.55014 43.03043 
1 1 1    5   31    7 o  111.242   19.418  5415.85  1690.11  5702.34  4255.76  5362.20  1841.55  108.865   38.523  109.880   21.410 -1.015533 44.07307 
1 1 1    5   31    8 o  166.858   19.034 12054.37  2532.61 14708.77  5648.14 11386.36  2833.43  166.564   41.823  160.265   22.385 6.298965 47.43636 
1 1 1    5   31    9 o  123.264   20.526  6744.45  1982.12  4835.76  5094.88  7084.85  2151.62  102.525   40.807  125.706   21.875 -23.18092 46.30029 
1 1 1    5   31   10 o  116.719   9.9760  5673.33  936.360 11102.58  5113.18  5484.94  952.467  140.184   41.781  114.644   10.343 25.54036 43.04261 
1 1 1    5   31   11 f  249.758   14.116 26469.67  2850.85 26019.87  7939.29 26536.25  3054.57  205.098   48.446  249.248   15.165 -44.14963 50.76414 
1 1 1    5   31   12 f  134.889   10.983  7648.58  1192.51  4766.60  5939.13  7769.65  1217.30   97.383   41.812  135.898   11.129 -38.51577 43.26801 
1 1 1    5   31   13 o   95.892   11.062  3906.72  845.524  2197.82  5111.24  3954.80  857.336   82.794   37.038   96.453   11.153 -13.65911 38.68037 
1 1 1    5   31   14 o  158.402   11.834 10710.49  1511.09 23495.03  7194.36 10120.45  1545.57  175.766   48.720  153.519   12.508 22.24666 50.29991 
1 1 1    5   31   15 o   74.116   15.329  2510.17  892.045 -2522.0920  6786.97  2598.63  899.851   70.350   34.536   75.505   15.204 -5.154854 37.73459 
1 1 1    5   31   16 o   97.871   15.062  4392.94  1158.58   0.0000   0.0000  4392.94  1158.58  ?   ?    97.871   15.062 0.000000 15.06218 
1 1 1    5   31   17 o   41.052   17.377  411.863  1000.37   0.0000   0.0000  411.863  1000.37  ?   ?    41.052   17.377 0.000000 17.37664 
1 1 1    5   33    0 f  143.613   24.129  9235.05  2713.91   0.0000   0.0000  9235.05  2713.91  ?   ?   143.613   24.129 0.000000 24.12926 
1 1 1    5   33    1 o  123.095   24.657  6860.63  2378.58   0.0000   0.0000  6860.63  2378.58  ?   ?   123.095   24.657 0.000000 24.65743 
1 1 1    5   33    2 o  281.184   22.371 34557.40  5065.30   0.0000   0.0000 34557.40  5065.30  ?   ?   281.184   22.371 0.000000 22.37086 
1 1 1    5   33    3 o  147.665   22.805  9695.63  2646.17   0.0000   0.0000  9695.63  2646.17  ?   ?   147.665   22.805 0.000000 22.80450 
1 1 1    5   33    4 o  105.297   25.584  5126.22  2165.86   0.0000   0.0000  5126.22  2165.86  ?   ?   105.297   25.584 0.000000 25.58440 
1 1 1    5   33    5 o  116.416   21.671  6069.31  1973.06  5193.31  5269.96  6212.13  2127.82  105.420   41.646  117.060   23.207 -11.63924 47.67565 
1 1 1    5   33    6 o   72.924   24.793  2312.12  1754.68  4217.41  4830.15  2022.45  1883.34   98.292   39.523   70.443   25.543 27.84830 47.05873 
1 1 1    5   33    7 o  163.749   20.341 11857.15  2646.22 11789.07  6318.41 11871.63  2914.11  138.766   47.048  162.254   22.744 -23.48846 52.25720 
1 1 1    5   33    8 o  213.277   21.491 20335.53  3671.01 11572.86  7605.61 22997.04  4191.60  130.534   50.476  225.178   23.260 -94.64458 55.57728 
1 1 1    5   33    9 o  121.652   26.264  7113.34  2518.31 11730.73  6581.51  6321.36  2725.74  131.845   47.759  112.245   29.515 19.59991 56.14283 
1 1 1    5   33   10 o  171.987   24.750 13985.00  3356.70 19398.57  7630.42 12685.98  3737.79  162.248   51.535  158.516   30.142 3.732376 59.70286 
1 1 1    5   33   11 o   86.434   10.371  3165.04  713.302  1205.79  6653.76  3187.81  717.437   84.492   39.425   86.740   10.393 -2.248230 40.77187 
1 1 1    5   33   12 o   25.024   11.128 -137.6175  454.090 -5708.9541  6612.19 -111.2174  455.164   68.011   33.525   25.397   11.224 42.61337 35.35364 
1 1 1    5   33   13 o   60.938   12.680  1650.87  606.965  1467.45  6067.08  1652.73  610.025   77.359   36.579   60.952   12.736 16.40714 38.73298 
1 1 1    5   33   14 o   87.420   13.738  3430.50  942.968   0.0000   0.0000  3430.50  942.968  ?   ?    87.420   13.738 0.000000 13.73767 
1 1 1    5   33   15 o   34.457   14.642  174.514  714.773   0.0000   0.0000  174.514  714.773  ?   ?    34.457   14.642 0.000000 14.64170 
1 1 1    5   33   16 o   51.923   17.639  1348.64  888.122   0.0000   0.0000  1348.64  888.122  ?   ?    51.923   17.639 0.000000 17.63882 
1 1 1    5   35    0 o   71.052   27.352  1906.67  2225.47   0.0000   0.0000  1906.67  2225.47  ?   ?    71.052   27.352 0.000000 27.35182 
1 1 1    5   35    1 o  125.439   37.606  8446.99  4133.37   0.0000   0.0000  8446.99  4133.37  ?   ?   125.439   37.606 0.000000 37.60619 
1 1 1    5   35    2 o   80.958   34.527  1775.29  4001.10   0.0000   0.0000  1775.29  4001.10  ?   ?    80.958   34.527 0.000000 34.52712 
1 1 1    5   35    3 o  119.559   42.662  8272.61  5229.81   0.0000   0.0000  8272.61  5229.81  ?   ?   119.559   42.662 0.000000 42.66211 
1 1 1    5   35    4 o   74.912   33.967 -137.9343  4465.99   0.0000   0.0000 -137.9343  4465.99  ?   ?    74.912   33.967 0.000000 33.96738 
1 1 1    5   35    5 o   87.646   38.535  2246.01  5299.12   0.0000   0.0000  2246.01  5299.12  ?   ?    87.646   38.535 0.000000 38.53491 
1 1 1    5   35    6 o   40.357   18.699 -968.6354  1456.45   0.0000   0.0000 -968.6354  1456.45  ?   ?    40.357   18.699 0.000000 18.69931 
1 1 1    5   35    7 o   66.268   26.565  1548.00  2174.94   0.0000   0.0000  1548.00  2174.94  ?   ?    66.268   26.565 0.000000 26.56542 
1 1 1    5   35    8 f   47.113   21.539 -715.2496  1843.43   0.0000   0.0000 -715.2496  1843.43  ?   ?    47.113   21.539 0.000000 21.53941 
1 1 1    5   35    9 o   51.374   23.020 -203.2320  1983.09   0.0000   0.0000 -203.2320  1983.09  ?   ?    51.374   23.020 0.000000 23.01993 
1 1 1    5   35   10 o  107.554   10.499  4913.20  905.165 10493.51  8009.73  4841.02  911.001  105.652   46.869  106.683   10.660 -1.030754 48.06634 
1 1 1    5   35   11 o  176.307   11.896 13368.75  1692.98 27125.77  9330.69 12900.43  1721.55  147.833   56.221  172.805   12.351 -24.97206 57.56174 
1 1 1    5   35   12 o   84.130   11.260  3084.09  749.893   0.0000   0.0000  3084.09  749.893  ?   ?    84.130   11.260 0.000000 11.26009 
1 1 1    5   35   13 o   31.370   12.549  267.790  484.252   0.0000   0.0000  267.790  484.252  ?   ?    31.370   12.549 0.000000 12.54943 
1 1 1    5   35   14 o   25.577   11.615 -211.6672  524.629   0.0000   0.0000 -211.6672  524.629  ?   ?    25.577   11.615 0.000000 11.61456 
1 1 1    5   37    0 o   70.221   29.077  1651.13  2709.19   0.0000   0.0000  1651.13  2709.19  ?   ?    70.221   29.077 0.000000 29.07686 
1 1 1    5   37    1 o  109.864   32.950  6557.41  3172.67   0.0000   0.0000  6557.41  3172.67  ?   ?   109.864   32.950 0.000000 32.94961 
1 1 1    5   37    2 o  109.128   33.196  6523.27  3203.61   0.0000   0.0000  6523.27  3203.61  ?   ?   109.128   33.196 0.000000 33.19595 
1 1 1    5   37    3 o   61.078   26.752  436.747  2532.80   0.0000   0.0000  436.747  2532.80  ?   ?    61.078   26.752 0.000000 26.75248 
1 1 1    5   37    4 o   79.553   30.988  2997.97  2882.79   0.0000   0.0000  2997.97  2882.79  ?   ?    79.553   30.988 0.000000 30.98787 
1 1 1    5   37    5 o   95.215   32.482  5045.27  3011.86   0.0000   0.0000  5045.27  3011.86  ?   ?    95.215   32.482 0.000000 32.48191 
1 1 1    5   37    6 o  139.426   29.486 10262.68  3233.84  6844.09  9491.60 10711.62  3439.64   97.316   45.935  140.842   30.924 -43.52643 55.37449 
1 1 1    5   37    7 o   71.593   27.590  2443.82  2266.38  359.196  7003.13  2687.69  2395.28   79.050   37.909   73.918   28.396 5.132652 47.36465 
1 1 1    5   37    8 o   85.968   40.081  4569.48  6854.81  1834.81  9086.16  8182.00 10443.21   82.641   40.443   92.485   44.830 -9.843758 60.37734 
1 1 1    5   37    9 o   99.257   45.396 12196.26  8198.29  4306.90 10603.37 23922.58 12927.18   83.094   41.228  104.604   50.504 -21.51077 65.19499 
1 1 1    5   37   10 f   86.612   43.766 16959.77 14846.54   0.0000   0.0000 16959.77 14846.54  ?   ?    86.612   43.766 0.000000 43.76577 
1 1 1    5   37   11 o  125.336   12.416  6991.33  1246.91   0.0000   0.0000  6991.33  1246.91  ?   ?   125.336   12.416 0.000000 12.41568 
1 1 1    5   37   12 o   97.257   12.765  4309.12  983.693   0.0000   0.0000  4309.12  983.693  ?   ?    97.257   12.765 0.000000 12.76487 
1 1 1    5   39    0 o  205.782   34.531 24745.14  5565.30   0.0000   0.0000 24745.14  5565.30  ?   ?   205.782   34.531 0.000000 34.53079 
1 1 1    5   39    1 o  111.108   36.980  8227.62  3903.88   0.0000   0.0000  8227.62  3903.88  ?   ?   111.108   36.980 0.000000 36.97995 
1 1 1    5   39    2 o  101.854   36.551  6992.98  3843.97   0.0000   0.0000  6992.98  3843.97  ?   ?   101.854   36.551 0.000000 36.55085 
1 1 1    5   39    3 o   61.733   28.096  326.005  3091.66   0.0000   0.0000  326.005  3091.66  ?   ?    61.733   28.096 0.000000 28.09557 
1 1 1    5   39    4 o  115.960   35.912  8962.34  3729.05   0.0000   0.0000  8962.34  3729.05  ?   ?   115.960   35.912 0.000000 35.91248 
1 1 1    5   39    5 o   69.806   29.846  2283.11  3003.52   0.0000   0.0000  2283.11  3003.52  ?   ?    69.806   29.846 0.000000 29.84638 
1 1 1    5   39    6 o   88.993   34.919  5796.61  3681.42   0.0000   0.0000  5796.61  3681.42  ?   ?    88.993   34.919 0.000000 34.91877 
1 1 1    5   39    7 o   48.004   23.113 -1829.9430  2663.71  2384.24 11372.09 -2074.5740  2739.93   75.424   38.135   47.884   23.151 27.54012 44.61210 
1 1 1    5   39    8 o   40.343   19.879 -3124.4700  2318.25   0.0000   0.0000 -3124.4700  2318.25  ?   ?    40.343   19.879 0.000000 19.87949 
1 1 1    5   39    9 o   79.465   30.978  4865.70  2882.65   0.0000   0.0000  4865.70  2882.65  ?   ?    79.465   30.978 0.000000 30.97776 
1 1 1    5   39   10 o   49.322   23.429 -262.0545  2544.47   0.0000   0.0000 -262.0545  2544.47  ?   ?    49.322   23.429 0.000000 23.42867 
1 1 1    5   41    0 o   71.588   32.099  3367.82  3862.79   0.0000   0.0000  3367.82  3862.79  ?   ?    71.588   32.099 0.000000 32.09892 
1 1 1    5   41    1 o   63.709   29.822  1292.86  3857.10   0.0000   0.0000  1292.86  3857.10  ?   ?    63.709   29.822 0.000000 29.82211 
1 1 1    5   41    2 o   86.723   36.803  7314.00  4505.72   0.0000   0.0000  7314.00  4505.72  ?   ?    86.723   36.803 0.000000 36.80267 
1 1 1    5   41    3 o   45.177   22.497 -4460.4580  3274.31   0.0000   0.0000 -4460.4580  3274.31  ?   ?    45.177   22.497 0.000000 22.49676 
1 1 1    5   41    4 o   78.359   34.777  5948.71  4414.79   0.0000   0.0000  5948.71  4414.79  ?   ?    78.359   34.777 0.000000 34.77737 
1 1 1    5   41    5 o   60.714   28.934  1221.11  3944.77   0.0000   0.0000  1221.11  3944.77  ?   ?    60.714   28.934 0.000000 28.93400 
1 1 1    5   41    6 o   56.092   27.037  290.078  3668.20   0.0000   0.0000  290.078  3668.20  ?   ?    56.092   27.037 0.000000 27.03654 
1 1 1    6    0    0 o  400.465   29.103 66696.80  9348.38   0.0000   0.0000 66696.80  9348.38  400.465   29.103  400.465   29.103 0.000000 0.000000 
1 1 1    6    0    1 o  474.102   33.736 93693.30 12835.62 93693.30 12835.62   0.0000   0.0000  474.102   33.736  474.102   33.736 0.000000 0.000000 
1 1 1    6    0    2 o  443.887   21.880 80954.91  7842.48 81100.48 11096.67 80809.64 11085.23  441.547   31.313  440.733   31.340 0.000000 0.000000 
1 1 1    6    0    3 o  288.115   14.716 34032.14  3422.11 34518.88  4843.71 33547.05  4835.50  288.763   20.910  284.526   21.201 0.000000 0.000000 
1 1 1    6    0    4 o  873.097   61.853 323432.00 43343.76 323432.00 43343.76   0.0000   0.0000  873.097   61.853  873.097   61.853 0.000000 0.000000 
1 1 1    6    0    5 o  750.505   36.401 232088.00 22063.24 234327.59 31201.38 229848.20 31202.88  748.499   51.912  740.976   52.467 0.000000 0.000000 
1 1 1    6    0    6 o  170.773   9.8003 11961.35  1348.68 12213.05  1907.62 11709.80  1907.04  171.708   13.892  167.980   14.216 0.000000 0.000000 
1 1 1    6    0    7 o  698.810   33.832 200446.20 19094.00 182661.41 27002.17 218233.20 27003.81  662.007   50.927  726.099   46.232 0.000000 0.000000 
1 1 1    6    0    8 o  571.966   27.855 134073.09 12866.28 137501.70 18195.11 130644.10 18196.22  576.656   39.278  561.587   40.385 0.000000 0.000000 
1 1 1    6    0    9 f  846.472   40.900 294375.19 27961.41 334774.00 39543.60 253977.30 39543.21  899.189   54.623  778.734   63.510 0.000000 0.000000 
1 1 1    6    0   10 o  823.393   39.817 278752.81 26478.18 317775.31 37447.65 239738.00 37443.95  875.508   53.126  755.839   61.970 0.000000 0.000000 
1 1 1    6    0   11 o  201.922   11.404 16722.81  1856.16 19139.74  2642.11 14367.43  2608.25  215.377   15.285  185.476   17.689 0.000000 0.000000 
1 1 1    6    0   12 o  169.151   15.017 11910.18  2025.16 11910.18  2025.16   0.0000   0.0000  169.151   15.017  169.151   15.017 0.000000 0.000000 
1 1 1    6    0   13 o  396.910   20.023 64712.85  6415.62 60728.13  9084.08 68678.29  9062.07  381.607   29.733  406.882   27.725 0.000000 0.000000 
1 1 1    6    0   14 o  474.005   23.642 92514.28  9047.50 89258.01 12814.39 95751.02 12775.89  461.762   34.625  479.082   33.209 0.000000 0.000000 
1 1 1    6    0   15 o   40.796   16.594  944.521  539.483  928.791  815.223  956.776  719.585   39.418   20.152   39.960   19.197 0.000000 0.000000 
1 1 1    6    0   16 o  698.147   34.435 203343.09 19412.10 209752.50 27495.87 196973.59 27410.06  699.732   48.945  676.612   50.540 0.000000 0.000000 
1 1 1    6    0   17 o  315.101   16.919 40896.66  4300.25 35994.32  6133.95 45634.76  6030.32  292.223   26.344  331.227   22.666 0.000000 0.000000 
1 1 1    6    0   18 o  169.587   11.653 11884.77  1587.28 10490.42  2344.89 13064.01  2156.44  156.570   19.221  176.871   15.278 0.000000 0.000000 
1 1 1    6    0   19 o   65.440   17.090  2073.51  784.657  632.694  1698.70  2464.32  884.696   41.964   25.782   72.044   17.448 0.000000 0.000000 
1 1 1    6    0   20 o  101.926   11.592  4411.66  927.297  2685.63  1726.97  5110.91  1099.20   66.112   29.895  109.502   12.823 0.000000 0.000000 
1 1 1    6    0   21 o   42.671   19.735  1106.13  754.395  5198.23  1951.77  387.409  817.966  101.704   27.348   30.239   18.246 0.000000 0.000000 
1 1 1    6    0   22 f   67.272   18.780  2266.51  887.571  1750.47  1805.51  2430.96  1019.23   52.637   29.039   68.403   20.990 0.000000 0.000000 
1 1 1    6    0   23 f   81.049   17.633  3099.19  1016.86  1984.92  2415.95  3339.08  1120.99   55.784   32.431   83.609   18.935 0.000000 0.000000 
1 1 1    6    0   24 o   62.318   20.722  2116.07  933.576  1386.57  2159.95  2283.66  1035.27   48.751   29.532   64.071   22.099 0.000000 0.000000 
1 1 1    6    0   25 o   24.386   16.598 -435.7430  1005.22   0.0000   0.0000 -435.7430  1005.22   24.386   16.598   24.386   16.598 0.000000 0.000000 
1 1 1    6    0   26 o   80.913   21.623  3481.77  1227.54   0.0000   0.0000  3481.77  1227.54   80.913   21.623   80.913   21.623 0.000000 0.000000 
1 1 1    6    2    0 o  242.744   10.636 23978.75  2096.41 27406.79  3644.90 22284.09  2562.73  258.421   17.473  233.445   13.579 24.97586 22.12925 
1 1 1    6    2    5 o  554.129   18.891 125167.10  8499.92 127694.00 12026.50 122645.00 12014.91  558.601   26.515  547.360   27.034 11.24060 37.86693 
1 1 1    6    2    6 o  111.850   5.3625  5080.22  487.011  5090.98  692.761  5069.70  684.783  111.689   7.6857  111.461   7.6120 0.2287827 10.81723 
1 1 1    6    2    7 o  161.040   6.6161 10531.93  865.115 10691.88  1227.58 10374.11  1219.37  161.963   9.3747  159.524   9.4561 2.438797 13.31554 
1 1 1    6    2    8 o  201.570   8.9718 16503.28  1468.40 14686.84  2541.52 17413.46  1799.07  189.306   16.706  206.752   10.754 -17.44565 19.86775 
1 1 1    6    2    9 o  1191.02   40.123 581456.12 38802.07 568537.69 54877.41 594371.50 54871.43  1171.76   57.679  1198.60   56.381 -26.84766 80.65779 
1 1 1    6    2   10 o  364.609   12.721 54036.06  3766.12 53805.36  5327.99 54266.44  5324.21  363.610   18.046  365.169   17.957 -1.558929 25.45800 
1 1 1    6    2   11 o  331.793   11.746 44764.77  3164.41 44405.22  4474.88 45124.39  4475.41  329.763   16.768  332.861   16.559 -3.098267 23.56598 
1 1 1    6    2   12 o  386.470   19.285 61030.67  6051.50 62826.72  8564.79 59240.20  8551.46  389.959   27.220  378.411   28.031 11.54828 39.07276 
1 1 1    6    2   13 o  522.559   17.954 111620.10  7617.79 110348.20 10772.95 112892.10 10773.42  517.750   25.626  523.766   25.333 -6.015808 36.03350 
1 1 1    6    2   14 o  481.013   16.628 94576.73  6494.21 89645.43  9181.18 99514.55  9187.23  465.888   24.355  491.885   23.003 -25.99704 33.50080 
1 1 1    6    2   15 o  356.029   12.762 51707.39  3689.37 53739.66  5220.48 49679.66  5214.64  362.152   17.753  347.580   18.544 14.57208 25.67218 
1 1 1    6    2   16 f  137.898   7.1430  7754.69  797.048  7330.37  1124.33  8183.35  1130.08  133.713   10.439  141.387   9.9063 -7.673813 14.39091 
1 1 1    6    2   17 o  288.659   10.847 33999.67  2542.35 34192.46  3596.47 33807.10  3594.40  288.336   15.418  286.682   15.499 1.653900 21.86139 
1 1 1    6    2   18 o  148.023   7.6985  8950.41  922.093  9111.11  1287.53  8781.20  1321.20  148.925   10.719  146.107   11.222 2.818314 15.51923 
1 1 1    6    2   19 o  148.905   8.4798  9089.33  1021.02  9634.19  1424.19  8513.18  1464.52  152.699   11.573  143.219   12.726 9.480667 17.20141 
1 1 1    6    2   20 o   87.552   8.8906  3175.01  623.261  3648.69  871.063  2678.11  892.165   93.278   11.762   79.021   14.437 14.25668 18.62194 
1 1 1    6    2   21 o   76.599   9.6282  2455.12  585.604  3219.19  845.058  1749.21  812.254   87.165   12.281   63.125   15.866 24.03997 20.06310 
1 1 1    6    2   22 o  135.685   9.0834  7638.80  994.957  7488.94  1384.67  7798.76  1430.62  132.863   13.002  135.533   13.166 -2.670013 18.50391 
1 1 1    6    2   23 o   43.775   14.189  807.879  576.229  1032.75  770.966  523.273  867.343   49.344   16.434   42.712   16.888 6.632298 23.56485 
1 1 1    6    2   24 f   32.392   13.344  192.944  566.546  -5.4955  772.827  423.480  832.985   34.295   14.904   40.376   16.350 -6.081665 22.12386 
1 1 1    6    2   25 o   85.555   12.417  3259.22  837.360  3738.69  1136.07  2688.91  1239.03   89.087   16.307   72.532   20.259 16.55442 26.00647 
1 1 1    6    2   26 o   76.143   14.461  2773.89  861.392  2355.20  1233.55  3172.34  1203.39   64.715   20.739   77.061   19.280 -12.34596 28.31614 
1 1 1    6    4    1 o  383.893   19.343 60421.68  6010.01 59355.97  8501.18 61486.51  8497.70  378.503   27.857  385.414   27.331 -6.910553 39.02582 
1 1 1    6    4    2 o  604.076   42.933 153896.50 20921.16 153896.50 20921.16   0.0000   0.0000  604.076   42.933  ?   ?  0.000000 42.93317 
1 1 1    6    4    4 o  825.935   32.286 280798.81 21652.05 298735.41 37536.00 271854.50 26506.39  839.201   55.398  809.574   40.323 29.62701 68.51934 
1 1 1    6    4    5 o  717.242   24.338 210068.30 14173.85 212167.09 20048.67 207971.09 20041.03  718.755   34.353  711.532   34.689 7.222900 48.82052 
1 1 1    6    4    6 o  208.261   7.9218 17617.20  1339.59 16969.84  1898.21 18259.47  1890.73  204.020   11.506  211.688   11.038 -7.667435 15.94440 
1 1 1    6    4    7 o  1331.06   44.783 728818.31 48400.88 747665.00 68453.40 709976.19 68444.96  1339.66   62.931  1304.56   64.616 35.10376 90.19703 
1 1 1    6    4    8 o  349.228   14.078 49571.81  3991.91 36360.35  6903.74 56207.63  4892.79  297.141   28.983  371.798   16.207 -74.65756 33.20714 
1 1 1    6    4    9 o  417.826   14.254 70965.01  4835.88 71725.91  6843.88 70206.28  6834.05  419.801   20.078  415.320   20.265 4.480560 28.52748 
1 1 1    6    4   10 o  910.211   30.358 338847.41 22436.38 344098.41 31734.21 333599.19 31725.45  913.929   42.764  899.673   43.429 14.25598 60.94972 
1 1 1    6    4   11 o  379.479   13.273 58594.63  4089.76 53310.42  5784.97 63874.54  5782.61  360.930   19.815  395.836   17.992 -34.90527 26.76476 
1 1 1    6    4   12 o  245.111   10.715 24442.74  2132.49 26306.95  3733.81 23540.29  2597.88  253.128   18.290  240.031   13.383 13.09709 22.66296 
1 1 1    6    4   13 o  190.695   7.8898 14783.36  1221.64 14197.72  1728.61 15367.71  1726.71  186.388   11.478  193.992   11.007 -7.604477 15.90296 
1 1 1    6    4   14 o   89.553   6.5433  3276.83  472.502  3245.28  665.580  3308.88  670.890   88.818   9.3706   89.696   9.3491 -0.8785095 13.23683 
1 1 1    6    4   15 o  560.364   19.273 128911.60  8768.95 125922.00 12401.64 131900.91 12400.69  549.857   27.868  563.782   27.089 -13.92419 38.86482 
1 1 1    6    4   16 o  157.708   7.4629 10117.98  955.658 11102.09  1342.97  9108.44  1360.21  164.758   10.087  149.014   11.327 15.74327 15.16735 
1 1 1    6    4   17 o  113.265   7.4168  5243.29  678.332  4639.20  957.830  5851.12  960.789  106.005   11.302  119.371   10.005 -13.36575 15.09452 
1 1 1    6    4   18 o  309.823   11.676 39300.05  2937.20 39222.63  4152.80 39377.56  4154.86  307.750   16.681  308.368   16.656 -0.6180115 23.57283 
1 1 1    6    4   19 o  272.462   10.371 30447.46  2294.46 30450.11  3246.17 30444.82  3243.55  270.666   14.827  270.647   14.816 0.1867676E-01 20.96080 
1 1 1    6    4   20 o   37.091   12.619  529.816  454.551  436.434  573.741  687.240  744.937   37.233   13.991   44.163   16.057 -6.929832 21.29713 
1 1 1    6    4   21 o  211.555   9.3818 18445.26  1611.56 18867.04  2275.57 18020.87  2282.62  211.999   13.287  206.980   13.659 5.018951 19.05523 
1 1 1    6    4   22 o  110.580   9.7733  5105.56  868.481  5187.31  1155.74  4999.52  1316.29  110.259   13.170  107.212   15.576 3.047089 20.39801 
1 1 1    6    4   23 o  177.380   9.6193 13147.36  1380.25 13027.68  1943.86 13269.07  1960.19  173.938   13.879  175.561   13.864 -1.623657 19.61717 
1 1 1    6    4   24 o   58.096   13.457  1517.12  622.339  1757.90  792.573  1129.94  1005.03   61.784   15.751   51.646   18.670 10.13833 24.42658 
1 1 1    6    4   25 o   33.527   14.177  166.852  664.868  185.395  893.688  143.867  994.979   37.739   16.212   38.901   16.908 -1.162228 23.42470 
1 1 1    6    4   26 o   36.254   14.508  449.936  647.420  618.245  757.797  -4.8985  1245.74   39.940   15.788   39.602   17.950 0.3372650 23.90523 
1 1 1    6    6    0 o  908.821   66.542 362796.81 48761.92   0.0000   0.0000 362796.81 48761.92  ?   ?   908.821   66.542 0.000000 66.54168 
1 1 1    6    6    1 o  659.855   32.217 179876.09 17261.36 180165.30 24408.15 179586.80 24414.35  652.932   46.340  651.830   46.432 1.101379 65.60020 
1 1 1    6    6    2 o  502.946   24.703 103651.10 10088.22 101602.30 14277.78 105693.80 14256.03  494.229   35.822  504.391   35.026 -10.16260 50.10058 
1 1 1    6    6    3 o  509.405   19.532 105876.70  8078.96 117589.70 14066.05 100110.60  9869.19  533.517   32.627  494.622   24.574 38.89444 40.84591 
1 1 1    6    6    4 o  573.237   19.475 133931.09  9064.59 137046.09 12821.00 130817.90 12817.54  578.775   27.282  565.368   27.921 13.40692 39.03712 
1 1 1    6    6    5 o  392.016   13.419 62482.36  4271.19 63689.61  6038.23 61273.39  6042.54  395.505   18.803  387.907   19.185 7.597748 26.86245 
1 1 1    6    6    6 f  440.231   15.255 78808.46  5453.06 78647.81  7710.26 78969.25  7713.32  439.425   21.610  440.325   21.574 -0.8994141 30.53536 
1 1 1    6    6    7 o  935.903   36.549 358525.50 27774.56 364980.00 48071.32 355291.09 34029.36  934.558   63.729  929.701   45.079 4.856567 78.06116 
1 1 1    6    6    8 o  660.034   25.636 177547.80 13739.18 183549.20 16831.20 165563.09 23785.06  670.511   30.915  632.920   46.611 37.59125 55.93110 
1 1 1    6    6    9 o  643.951   21.537 168872.80 11260.79 169078.00 15929.59 168667.80 15920.74  643.342   30.495  642.558   30.515 0.7835083 43.14032 
1 1 1    6    6   10 o  245.212   9.0532 24430.48  1802.53 25991.17  2556.75 22888.18  2541.64  252.835   12.454  236.870   13.268 15.96552 18.19763 
1 1 1    6    6   11 o  599.038   22.948 146817.50 11161.98 143049.41 13670.65 154353.50 19332.90  590.060   28.533  608.510   39.339 -18.45044 48.59734 
1 1 1    6    6   12 o  702.710   27.875 203552.41 15905.04 196668.59 27604.98 206973.09 19459.68  677.521   50.543  706.017   33.946 -28.49622 60.88452 
1 1 1    6    6   13 o  503.401   17.322 103583.40  7080.23 103094.10 10019.30 104071.50 10006.62  500.474   24.656  502.882   24.507 -2.408203 34.76314 
1 1 1    6    6   14 o   80.326   6.7118  2640.95  433.748  2886.32  608.780  2387.96  618.153   83.735   9.1005   75.899   10.296 7.836273 13.74167 
1 1 1    6    6   15 o  229.823   9.0393 21498.75  1686.81 21686.36  2386.09 21311.32  2384.92  230.172   12.818  228.152   12.927 2.020309 18.20470 
1 1 1    6    6   16 o  127.036   7.0574  6584.41  725.102  7414.79  1033.95  5780.79  1017.16  134.579   9.5235  118.597   10.677 15.98185 14.30731 
1 1 1    6    6   17 o  325.929   12.087 43426.23  3198.66 43625.92  4525.86 43226.93  4521.31  325.096   17.207  323.582   17.271 1.514099 24.37940 
1 1 1    6    6   18 o  206.140   8.7345 17341.12  1461.96 17433.15  2084.68 17252.05  2050.80  205.755   12.538  204.712   12.396 1.042969 17.63146 
1 1 1    6    6   19 o   71.368   8.3485  2110.41  474.639  1999.93  624.607  2261.38  730.167   68.809   11.591   73.007   12.783 -4.197571 17.25606 
1 1 1    6    6   20 o  283.283   10.763 33107.06  2475.69 33403.38  3493.04 32807.99  3509.32  281.883   15.319  279.213   15.541 2.669189 21.82173 
1 1 1    6    6   21 f  184.749   9.1949 14068.04  1379.33 12379.95  1901.14 15944.25  2004.27  171.221   13.792  194.971   12.730 -23.75082 18.76886 
1 1 1    6    6   22 o  133.354   8.9307  7383.17  961.416  6909.92  1306.04  7942.98  1420.45  127.520   12.786  136.721   12.950 -9.201088 18.19814 
1 1 1    6    6   23 o  134.074   9.5227  7530.37  1029.93  7041.50  1352.26  8205.70  1589.37  127.821   13.220  137.311   14.473 -9.489708 19.60252 
1 1 1    6    6   24 o  106.995   10.589  4898.23  907.878  4446.35  1192.05  5522.38  1400.97   99.253   15.282  110.192   16.136 -10.93876 22.22418 
1 1 1    6    6   25 o   37.762   14.455  520.838  619.372  595.208  685.616  190.809  1444.29   39.774   15.213   44.839   19.896 -5.064991 25.04590 
1 1 1    6    6   26 o   34.179   14.026  340.558  622.921  340.558  622.921   0.0000   0.0000   34.179   14.026  ?   ?  0.000000 14.02576 
1 1 1    6    8    0 o  459.234   16.024 85902.94  5974.93 89214.97  8460.29 82607.26  8439.39  467.284   22.298  448.938   23.231 18.34680 32.20095 
1 1 1    6    8    1 o  320.696   16.588 42005.78  4304.64 42764.27  6093.00 41249.94  6082.36  322.637   23.418  316.777   23.822 5.859924 33.40464 
1 1 1    6    8    2 o  234.613   12.895 22454.83  2447.10 22713.32  3474.65 22200.44  3446.96  235.392   18.324  232.694   18.394 2.698013 25.96328 
1 1 1    6    8    3 o  194.594   11.269 15443.09  1772.86 14897.69  2519.73 15977.76  2494.85  190.616   16.441  197.537   15.684 -6.920883 22.72180 
1 1 1    6    8    4 o  626.622   23.667 160125.30 12041.90 174512.00 20947.38 153024.20 14716.68  650.335   39.862  611.797   29.625 38.53796 49.66498 
1 1 1    6    8    5 o  1227.32   87.407 646872.12 86536.04 646872.12 86536.04   0.0000   0.0000  1227.32   87.407  ?   ?  0.000000 87.40739 
1 1 1    6    8    6 o  394.560   16.557 63311.35  5304.50 78373.63  9118.09 55605.82  6521.69  437.707   25.769  368.892   21.871 68.81479 33.79923 
1 1 1    6    8    7 o  829.963   28.126 280955.00 18954.05 302081.81 26803.89 259824.59 26806.26  858.882   38.435  794.892   41.678 63.99005 56.69466 
1 1 1    6    8    8 o  637.915   25.530 165882.41 13223.74 176169.70 16193.99 145294.80 22909.05  656.845   30.364  592.105   48.066 64.74023 56.85292 
1 1 1    6    8    9 o  640.849   21.715 167358.20 11299.61 171116.00 15983.14 163603.20 15976.99  646.838   30.432  632.374   31.116 14.46411 43.52351 
1 1 1    6    8   10 o  270.431   9.7575 29725.12  2142.57 28954.06  3032.48 30493.71  3027.62  266.365   14.071  273.755   13.621 -7.389801 19.58364 
1 1 1    6    8   11 o  708.856   26.507 206498.59 15256.55 202042.41 18685.03 215412.00 26426.10  698.870   32.928  714.146   45.815 -15.27594 56.41994 
1 1 1    6    8   12 f  479.432   19.098 94031.63  7434.44 100343.60 12961.85 90937.10  9075.67  490.654   32.723  469.894   23.865 20.76007 40.50117 
1 1 1    6    8   13 o  373.668   13.038 56919.25  3955.77 53021.92  5594.05 60817.29  5594.55  359.284   19.246  385.560   17.870 -26.27585 26.26300 
1 1 1    6    8   14 o  510.685   17.310 106778.20  7177.87 105461.30 10155.00 108093.00 10147.09  505.312   24.750  511.692   24.423 -6.380676 34.77143 
1 1 1    6    8   15 o  592.475   20.931 144609.09 10069.22 144225.20 14243.87 144992.59 14236.20  586.519   30.010  588.143   29.909 -1.624268 42.36933 
1 1 1    6    8   16 o  358.144   12.873 52421.71  3743.44 53118.66  5302.17 51729.04  5285.91  358.871   18.256  354.075   18.450 4.796570 25.95550 
1 1 1    6    8   17 o  262.050   10.303 28033.14  2192.24 29173.57  3098.56 26890.17  3102.03  266.257   14.386  255.436   15.023 10.82068 20.79975 
1 1 1    6    8   18 o  148.187   7.7216  8980.30  925.872  9590.10  1326.47  8400.94  1292.94  152.640   10.772  142.722   11.248 9.917831 15.57409 
1 1 1    6    8   19 o  142.879   7.7873  8369.25  900.024  8429.69  1245.94  8303.29  1301.53  142.755   10.830  141.528   11.423 1.227295 15.74082 
1 1 1    6    8   20 o   22.431   9.5005   13.907  299.319  168.843  343.410 -475.9236  610.604   26.916   10.632   26.335   12.169 0.5808964 16.15920 
1 1 1    6    8   21 o  100.937   8.6734  4225.30  703.948  4265.93  903.818  4162.66  1122.37  100.717   11.244   98.383   14.483 2.333885 18.33559 
1 1 1    6    8   22 o   39.774   13.777  619.268  542.519   55.454  661.084  1782.12  949.404   33.051   14.064   62.889   17.794 -29.83824 22.68027 
1 1 1    6    8   23 o   31.158   12.491  226.631  480.875  326.365  532.621 -213.1233  1118.42   33.947   13.293   39.122   17.426 -5.174683 21.91710 
1 1 1    6    8   24 o   25.133   11.210 -139.7536  464.580 -103.5019  524.745 -271.2036  999.230   27.256   12.049   35.926   16.198 -8.669739 20.18807 
1 1 1    6    8   25 o   38.444   17.560 -276.1563  1221.72   0.0000   0.0000 -276.1563  1221.72  ?   ?    38.444   17.560 0.000000 17.56020 
1 1 1    6   10    0 o  1061.74   41.758 464521.31 35999.08 462026.09 62379.77 465767.31 44079.96  1040.08   74.355  1059.21   51.253 -19.12585 90.30822 
1 1 1    6   10    1 o  414.403   16.953 69886.66  5704.33 65788.36  9867.65 71943.62  6990.80  399.844   30.627  420.226   20.488 -20.38184 36.84777 
1 1 1    6   10    2 o  588.826   28.680 141670.41 13711.95 137729.41 19402.15 145602.80 19381.11  577.085   41.687  593.742   40.442 -16.65637 58.08116 
1 1 1    6   10    3 o  100.454   8.4084  4127.60  679.523  4255.90  973.455  4005.66  948.992  101.625   12.031   98.539   12.116 3.086159 17.07452 
1 1 1    6   10    4 o  216.893   12.139 19176.89  2129.20 24126.64  3038.66 14402.41  2984.37  243.094   15.475  187.048   19.958 56.04657 25.25489 
1 1 1    6   10    5 o  333.372   16.573 45195.73  4486.17   0.0000   0.0000 45195.73  4486.17  ?   ?   333.372   16.573 0.000000 16.57326 
1 1 1    6   10    6 o  523.598   19.756 111557.40  8399.16 135307.91 14662.40 99957.45 10247.00  574.782   31.537  494.590   25.604 80.19165 40.62217 
1 1 1    6   10    7 o  503.277   24.078 103199.50  9839.51 117305.00 13975.98 89336.79 13855.15  534.845   32.334  465.707   36.944 69.13800 49.09519 
1 1 1    6   10    8 o  306.856   12.773 38274.53  3182.59 43316.34  5614.45 35887.41  3863.22  325.390   21.369  296.591   16.102 28.79901 26.75660 
1 1 1    6   10    9 o  406.418   14.017 67200.89  4625.64 65727.13  6542.90 68673.52  6540.38  401.490   20.070  410.429   19.626 -8.939240 28.07121 
1 1 1    6   10   10 o  560.932   21.669 128679.60  9869.22 122196.50 12092.65 141611.50 17078.83  544.760   27.427  583.583   36.222 -38.82306 45.43367 
1 1 1    6   10   11 o  257.913   9.4605 27053.77  1981.19 28303.70  2802.84 25805.65  2800.82  263.588   13.096  251.268   13.781 12.31990 19.01072 
1 1 1    6   10   12 o  304.917   11.142 37852.03  2758.62 37314.52  3904.74 38387.64  3897.83  301.881   15.987  306.244   15.728 -4.363190 22.42698 
1 1 1    6   10   13 o  460.848   16.054 86804.05  6007.24 87734.18  8501.71 85876.63  8489.33  461.776   22.674  456.225   22.991 5.551544 32.29099 
1 1 1    6   10   14 o  573.125   19.477 134907.50  9064.01 130900.70 12824.41 138906.80 12812.49  560.330   28.279  578.365   27.283 -18.03461 39.29443 
1 1 1    6   10   15 o   77.580   6.9934  2467.64  435.796  2830.47  586.058  2018.87  651.786   82.914   8.8415   69.358   12.009 13.55560 14.91232 
1 1 1    6   10   16 o  423.081   15.314 73423.89  5260.70 76370.91  7450.21 70493.35  7429.33  429.405   21.368  411.623   22.312 17.78204 30.89353 
1 1 1    6   10   17 o  348.295   12.675 49725.23  3584.65 49683.23  5073.98 49767.09  5064.95  345.980   18.125  346.292   18.076 -0.3119202 25.59787 
1 1 1    6   10   18 o   56.678   9.1707  1346.88  407.624  1945.87  524.446  432.826  647.849   68.270   9.7367   38.704   14.792 29.56595 17.70859 
1 1 1    6   10   19 o  174.862   8.3838 12524.03  1190.36 12774.40  1676.25 12269.33  1690.67  175.460   11.835  171.826   12.197 3.634247 16.99537 
1 1 1    6   10   20 o   95.281   8.3389  3754.85  638.640  3473.35  812.131  4210.99  1033.82   90.919   11.240   99.685   13.089 -8.765823 17.25297 
1 1 1    6   10   21 o   65.446   9.2683  1802.78  478.752  1886.08  558.873  1573.14  927.961   66.601   10.697   59.726   17.799 6.875259 20.76577 
1 1 1    6   10   22 o   54.721   11.542  1302.15  496.702  1802.11  575.024 -167.3174  985.825   64.670   11.366   37.419   16.529 27.25105 20.05950 
1 1 1    6   10   23 o  128.826   13.160  7202.68  1357.19  9211.65  3073.43  6716.03  1512.67  130.470   29.681  122.862   15.509 7.608345 33.48830 
1 1 1    6   10   24 o   41.482   17.097  447.794  930.529   0.0000   0.0000  447.794  930.529  ?   ?    41.482   17.097 0.000000 17.09652 
1 1 1    6   10   25 o   34.225   12.957  436.570  494.143  450.539  521.377  313.239  1549.19   34.867   13.283   45.722   20.427 -10.85484 24.36555 
1 1 1    6   12    0 o  1252.47   60.780 652678.88 61811.54   0.0000   0.0000 652678.88 61811.54  ?   ?   1252.47   60.780 0.000000 60.78032 
1 1 1    6   12    1 o  1217.06   47.697 610465.00 47134.62 600903.88 81637.28 615245.88 57728.69  1185.54   85.379  1217.28   58.407 -31.74841 103.4454 
1 1 1    6   12    2 o  570.663   27.849 132870.80 12903.98 134485.41 18264.16 131261.50 18233.85  571.343   39.615  564.328   40.053 7.015076 56.33457 
1 1 1    6   12    3 o  277.494   21.113 31527.24  4721.38   0.0000   0.0000 31527.24  4721.38  ?   ?   277.494   21.113 0.000000 21.11289 
1 1 1    6   12    4 o  522.878   36.711 112414.40 15487.40   0.0000   0.0000 112414.40 15487.40  ?   ?   522.878   36.711 0.000000 36.71144 
1 1 1    6   12    5 o  1496.24   72.728 937345.81 88356.63 957791.38 124992.90 916924.81 124917.40  1485.95  104.256  1451.56  106.735 34.39355 149.2032 
1 1 1    6   12    6 o  407.031   20.044 67434.38  6624.61 75970.51  9426.69 59105.42  9311.59  430.730   27.092  379.225   30.498 51.50519 40.79345 
1 1 1    6   12    7 o  739.108   29.947 223324.80 17972.14 228120.30 31274.38 220960.30 21960.29  740.020   52.387  732.944   37.020 7.075989 64.14725 
1 1 1    6   12    8 o  500.344   20.873 102112.70  8480.04 99141.56 14840.05 103553.30 10333.31  489.061   37.661  502.669   25.400 -13.60764 45.42546 
1 1 1    6   12    9 f  204.215   12.028 17026.62  1985.68 16063.66  2946.17 17828.17  2687.92  197.541   18.587  208.547   15.995 -11.00632 24.52170 
1 1 1    6   12   10 o  284.353   12.341 32922.95  2849.46 31942.07  5092.66 33369.97  3437.99  278.209   22.743  285.705   14.871 -7.495697 27.17364 
1 1 1    6   12   11 o  415.648   17.091 70586.47  5767.95 68440.38 10143.52 71611.98  7011.93  405.221   31.065  418.046   20.657 -12.82507 37.30669 
1 1 1    6   12   12 o  346.436   13.023 48931.15  3663.23 47354.37  5186.59 50500.65  5174.60  339.510   18.889  350.780   18.231 -11.26984 26.25180 
1 1 1    6   12   13 o   32.391   8.9802  439.502  244.401  594.180  299.554  131.538  422.679   37.513   9.7462   28.659   11.632 8.854548 15.17573 
1 1 1    6   12   14 o  145.761   7.4404  8664.24  877.661  9361.61  1235.20  7953.15  1247.29  151.255   10.116  139.233   11.126 12.02225 15.03701 
1 1 1    6   12   15 o  176.048   7.7229 12612.63  1103.95 12772.06  1551.18 12449.02  1571.45  176.621   10.869  174.325   11.161 2.296417 15.57881 
1 1 1    6   12   16 o  374.293   13.106 57374.16  3983.19 56809.99  5647.00 57932.81  5619.28  370.285   18.844  374.509   18.479 -4.223694 26.39284 
1 1 1    6   12   17 o  227.104   8.9956 21063.49  1658.80 21697.18  2353.36 20437.79  2338.49  229.490   12.679  222.627   12.993 6.862244 18.15401 
1 1 1    6   12   18 o  162.124   8.0971 10745.92  1065.91 10683.82  1456.44 10817.54  1564.15  160.764   11.228  161.566   12.009 -0.8018036 16.44032 
1 1 1    6   12   19 o   51.666   10.013  1135.27  404.895  1330.85  463.593  506.335  831.349   55.927   10.597   42.740   16.643 13.18678 19.73017 
1 1 1    6   12   20 o   52.054   9.0807  1147.36  369.844  1562.83  411.645 -592.3193  842.340   61.079   8.5333   31.185   14.368 29.89422 16.71135 
1 1 1    6   12   21 o   58.443   18.004  1505.12  938.650  1658.58  2251.15  1472.82  1032.71   68.221   27.134   58.270   19.002 9.951801 33.12599 
1 1 1    6   12   22 o   83.558   15.494  3110.24  1012.49  1416.18  2683.85  3391.34  1093.27   67.609   28.531   87.073   16.055 -19.46408 32.73825 
1 1 1    6   12   23 o   25.279   10.737   34.626  384.078  131.004  399.669 -1128.9000  1388.67   27.361   11.232   37.316   17.600 -9.954924 20.87901 
1 1 1    6   12   24 o   99.215   10.151  4253.31  806.271  4479.67  980.078  3779.35  1418.16  100.502   12.265   85.861   20.605 14.64043 23.97851 
1 1 1    6   12   25 o   51.014   13.366  1241.75  560.315  1241.75  560.315   0.0000   0.0000   51.014   13.366  ?   ?  0.000000 13.36633 
1 1 1    6   14    0 o  1117.36   53.967 515636.09 48962.46   0.0000   0.0000 515636.09 48962.46  ?   ?   1117.36   53.967 0.000000 53.96727 
1 1 1    6   14    1 o  603.780   29.735 148776.09 14577.53   0.0000   0.0000 148776.09 14577.53  ?   ?   603.780   29.735 0.000000 29.73491 
1 1 1    6   14    2 o  1069.13   51.456 471323.59 44669.07 492464.41 63198.82 450219.19 63144.42  1082.56   72.314  1033.17   75.799 49.39209 104.7609 
1 1 1    6   14    3 o  1208.28   58.205 604845.31 57103.78 636539.00 80789.70 573202.88 80724.22  1225.31   81.671  1159.61   86.353 65.69751 118.8565 
1 1 1    6   14    4 o  227.738   12.976 21147.22  2389.59 25066.39  3435.89 17475.61  3325.60  247.653   17.193  206.233   20.116 41.41946 26.46230 
1 1 1    6   14    5 o  946.891   45.276 369400.31 34809.83 402309.81 49281.88 336632.91 49175.36  980.018   62.255  893.299   68.315 86.71881 92.42647 
1 1 1    6   14    6 o  394.129   15.039 63192.14  4812.73 73274.60  8517.22 58462.89  5833.26  422.942   24.912  378.389   19.047 44.55240 31.35878 
1 1 1    6   14    7 o  685.779   28.042 192739.59 15614.37 198866.91 27229.53 189737.70 19059.32  688.395   49.036  677.869   34.744 10.52618 60.09716 
1 1 1    6   14    8 o  579.423   26.689 137842.00 12556.54 154341.00 17954.24 122046.30 17567.35  609.159   36.467  539.962   40.360 69.19684 54.39490 
1 1 1    6   14    9 o  935.415   37.190 364793.69 28247.11 370970.00 49120.29 361742.00 34527.22  915.496   66.534  925.123   45.965 -9.627930 80.86752 
1 1 1    6   14   10 o  394.376   16.310 63507.82  5222.88 62576.38  9242.36 63944.82  6330.61  387.877   29.569  395.206   19.728 -7.328613 35.54588 
1 1 1    6   14   11 o  208.224   9.9895 17645.23  1688.94 16724.29  3122.08 18026.23  2008.14  201.143   19.355  210.028   11.824 -8.885010 22.68080 
1 1 1    6   14   12 o  322.705   14.121 42514.25  3700.02 37644.79  6635.16 44711.81  4457.40  300.162   27.531  330.167   16.681 -30.00476 32.19029 
1 1 1    6   14   13 o   90.179   30.977  3143.40  2739.96  2772.17  4059.61  3453.99  3713.30   96.096   36.955   98.451   35.841 -2.355049 51.48051 
1 1 1    6   14   14 o  138.136   6.2510  7758.29  701.121  6795.97  964.790  8835.23  1020.64  128.840   9.2847  147.067   8.5844 -18.22729 12.64501 
1 1 1    6   14   15 o  357.173   12.969 52195.13  3761.08 50837.31  5333.55 53538.19  5304.51  350.530   18.808  359.954   18.208 -9.424744 26.17802 
1 1 1    6   14   16 o   50.464   8.8000  1068.77  347.470  1282.42  435.210  693.154  577.065   55.179   10.085   42.367   14.219 12.81236 17.43264 
1 1 1    6   14   17 o  128.176   7.4649  6726.65  773.544  7562.68  1080.62  5848.04  1107.80  135.524   9.8884  118.732   11.641 16.79182 15.27368 
1 1 1    6   14   18 f  227.636   9.4908 21276.09  1754.21 22553.34  2504.01 20045.06  2458.28  232.760   13.304  219.149   13.887 13.61089 19.23156 
1 1 1    6   14   19 o   48.205   16.496  919.340  776.833  2974.82  2406.00  680.125  820.793   82.387   28.986   44.947   16.765 37.44018 33.48471 
1 1 1    6   14   20 o  108.017   12.330  4938.31  1062.00  3271.10  2622.67  5265.30  1161.49   84.247   30.196  111.293   13.104 -27.04574 32.91643 
1 1 1    6   14   21 o  208.431   10.715 18195.91  1807.32 17598.49  2214.99 19385.96  3126.20  203.154   13.505  208.879   18.628 -5.725601 23.00830 
1 1 1    6   14   22 o  119.484   9.1697  5988.21  882.829  6779.17  1125.78  4724.92  1422.74  126.262   11.094  101.589   17.902 24.67259 21.06061 
1 1 1    6   14   23 o  104.011   9.6812  4608.35  808.216  5182.45  995.877  3500.69  1383.30  109.402   11.377   83.983   20.471 25.41885 23.42056 
1 1 1    6   14   24 o   62.743   11.652  1774.21  571.761  1512.02  606.615  3861.18  1711.43   56.992   13.344   81.698   24.130 -24.70603 27.57396 
1 1 1    6   16    0 o  415.688   21.247 70554.57  7147.52   0.0000   0.0000 70554.57  7147.52  ?   ?   415.688   21.247 0.000000 21.24724 
1 1 1    6   16    1 o  877.253   34.581 315068.59 24632.02 323033.91 42687.66 311092.69 30159.56  878.956   60.175  869.793   42.704 9.162720 73.78832 
1 1 1    6   16    2 o  619.686   24.778 156611.70 12467.48 166350.41 21587.82 151737.91 15271.78  634.608   42.135  608.412   31.017 26.19562 52.32001 
1 1 1    6   16    3 o  620.294   30.260 157371.30 15240.92 163559.09 21604.58 151241.30 21503.61  628.726   42.571  604.047   44.149 24.67871 61.33043 
1 1 1    6   16    4 o  880.647   42.561 320305.00 30433.41 337523.19 43096.43 303177.69 42982.49  894.926   59.650  846.186   63.010 48.74005 86.76642 
1 1 1    6   16    5 o  465.938   23.154 88692.95  8759.92 94632.34 12460.23 82888.58 12317.79  478.843   32.235  447.545   34.155 31.29791 46.96428 
1 1 1    6   16    6 o  111.246   10.702  5079.00  954.796  5161.77  1432.79  5012.89  1280.57  111.374   16.329  109.979   14.709 1.394852 21.97656 
1 1 1    6   16    7 o  209.665   10.251 17880.09  1745.21 26031.51  2745.97 12356.29  2260.47  252.458   13.444  173.300   16.254 79.15842 21.09377 
1 1 1    6   16    8 o  618.172   23.198 156826.20 11643.81 173551.70 20402.99 148747.91 14179.62  642.803   39.280  600.196   29.096 42.60730 48.88214 
1 1 1    6   16    9 o  381.344   13.361 59272.76  4136.95 81543.41  7422.77 49238.14  4982.53  446.098   20.493  346.600   17.764 99.49844 27.12034 
1 1 1    6   16   10 o  127.759   8.4913  6667.55  875.840  4448.14  1746.80  7412.88  1012.28  102.187   21.722  134.662   9.3152 -32.47558 23.63506 
1 1 1    6   16   11 o  352.326   14.382 50687.27  4114.42 55790.76  7388.98 48393.73  4953.40  366.720   24.963  343.283   17.832 23.43719 30.67843 
1 1 1    6   16   12 o  186.606   9.9803 14222.26  1506.72  9551.93  2941.07 15884.19  1754.44  149.996   25.030  197.115   11.006 -47.11917 27.34318 
1 1 1    6   16   13 o  461.608   18.715 87629.55  7014.49 92758.50 12478.29 85260.08  8481.39  467.588   33.080  453.247   23.123 14.34064 40.36024 
1 1 1    6   16   14 o   94.930   8.7765  3702.06  668.836  6274.90  1451.66  3008.72  753.587  122.860   14.853   85.137   11.171 37.72334 18.58529 
1 1 1    6   16   15 o  347.774   15.021 49738.14  4241.57 50134.27  7729.45 49567.45  5073.74  342.786   28.016  345.720   18.138 -2.933746 33.37442 
1 1 1    6   16   16 o  250.682   11.995 25816.12  2441.58 28114.42  4821.32 25023.42  2831.50  256.490   23.408  245.821   14.247 10.66862 27.40302 
1 1 1    6   16   17 o  232.701   11.613 22323.79  2194.15 24982.53  4329.47 21404.92  2545.21  240.358   22.444  226.724   13.893 13.63383 26.39552 
1 1 1    6   16   18 o   75.040   15.751  2450.50  929.137  5078.86  2350.14  1963.57  1011.55  104.344   27.391   66.820   18.166 37.52429 32.86786 
1 1 1    6   16   19 o   92.869   16.784  3777.64  1219.03  3118.88  2312.82  4031.04  1434.45   82.741   28.458   95.018   19.252 -12.27636 34.35839 
1 1 1    6   16   20 o   74.727   8.3090  2329.77  495.619  2770.59  560.172  741.025  1063.46   81.495   8.5951   48.474   18.838 33.02138 20.70618 
1 1 1    6   16   21 o   66.728   9.3119  1885.92  490.774  1610.17  573.648  2638.84  947.898   60.747   12.056   76.721   15.744 -15.97439 19.82955 
1 1 1    6   16   22 o   32.062   10.981  407.763  344.254  589.412  363.885 -1140.7760  1062.45   36.987   11.174   31.546   15.029 5.441065 18.72726 
1 1 1    6   16   23 o   55.759   10.693  1374.67  466.487  1441.15  515.800  1076.01  1093.26   56.758   11.584   50.304   19.217 6.454037 22.43873 
1 1 1    6   16   24 o   56.961   11.862  1492.40  530.792  1492.40  530.792   0.0000   0.0000   56.961   11.862  ?   ?  0.000000 11.86184 
1 1 1    6   18    0 o   54.694   11.633  1262.85  500.721   0.0000   0.0000  1262.85  500.721  ?   ?    54.694   11.633 0.000000 11.63284 
1 1 1    6   18    1 o  816.561   32.500 274167.41 21548.30 297706.19 37376.91 262449.00 26372.09  839.371   55.149  794.965   40.996 44.40607 68.71699 
1 1 1    6   18    2 o  706.245   28.203 204576.70 16172.97 235911.80 28028.35 188935.91 19802.13  750.709   46.206  675.562   36.232 75.14661 58.71800 
1 1 1    6   18    3 o  1222.13   49.304 627358.88 48925.83 700077.12 84721.14 590972.88 59929.05  1249.95   83.963  1172.23   63.197 77.72424 105.0886 
1 1 1    6   18    4 o  663.446   32.732 181780.00 17632.43 183657.41 25010.98 179924.80 24861.73  659.464   47.017  652.578   47.240 6.885620 66.64985 
1 1 1    6   18    5 o  790.377   57.766 270141.19 36814.84 270141.19 36814.84   0.0000   0.0000  790.377   57.766  ?   ?  0.000000 57.76554 
1 1 1    6   18    6 o  379.378   19.800 59045.88  6078.18 60733.77  8702.67 57438.40  8492.87  382.762   28.200  372.145   28.319 10.61673 39.96519 
1 1 1    6   18    7 o  178.754   12.014 13070.65  1733.64 15156.19  2596.73 11393.57  2328.60  191.911   16.834  166.072   17.534 25.83852 24.30708 
1 1 1    6   18    8 o  335.856   14.737 46026.04  4018.79 42448.21  7264.67 47603.77  4824.18  319.201   28.324  340.775   17.494 -21.57437 33.29051 
1 1 1    6   18    9 o  252.681   10.111 25989.06  2074.48 33559.12  3921.42 23047.29  2444.55  285.962   16.965  237.433   12.726 48.52945 21.20745 
1 1 1    6   18   10 o   44.692   10.228  845.877  363.117  1847.39  913.620  657.994  395.714   65.947   16.965   39.801   11.560 26.14587 20.52896 
1 1 1    6   18   11 o  464.262   19.732 88613.69  7438.37 82833.10 13228.54 91286.45  8995.10  440.456   37.340  469.360   23.679 -28.90408 44.21547 
1 1 1    6   18   12 o  631.170   25.215 165557.80 12922.55 171527.30 22756.12 162716.41 15699.53  625.504   45.108  622.008   31.085 3.495911 54.78152 
1 1 1    6   18   13 o  361.758   14.957 53649.59  4393.54 59776.80  8035.91 51037.08  5247.25  377.181   26.406  351.494   18.450 25.68686 32.21263 
1 1 1    6   18   14 o  224.952   11.485 20747.59  2090.72 18143.70  4041.08 21699.30  2443.09  206.660   24.564  229.722   13.153 -23.06180 27.86331 
1 1 1    6   18   15 o  156.815   10.064 10102.84  1274.64 11680.56  3152.67  9794.54  1393.62  164.330   24.366  154.174   11.209 10.15663 26.82060 
1 1 1    6   18   16 o  287.003   16.667 34546.76  3867.35 38954.11  5949.17 31321.20  5089.44  299.253   24.705  268.998   23.538 30.25491 34.12301 
1 1 1    6   18   17 o   31.459   13.570 -43.6390  631.198  968.463  1960.00 -160.7493  666.717   62.104   25.105   31.006   13.650 31.09776 28.57542 
1 1 1    6   18   18 o   98.282   11.678  4065.10  913.651  5328.04  2584.34  3884.71  976.726  105.194   29.215   95.678   12.901 9.516335 31.93695 
1 1 1    6   18   19 o  173.062   11.513 12550.87  1608.57 18877.08  4054.65 11369.21  1752.38  201.420   25.354  163.829   13.288 37.59038 28.62489 
1 1 1    6   18   20 o  110.018   12.600  5178.28  1105.26  5703.40  3078.12  5100.55  1184.24  102.439   32.753  108.674   13.727 -6.234573 35.51292 
1 1 1    6   18   21 o   91.852   16.632  3831.14  1194.77  4178.58  3228.25  3776.00  1286.10   86.052   32.987   90.287   18.172 -4.234787 37.66154 
1 1 1    6   18   22 o   54.266   19.399  1336.93  1081.79   0.0000   0.0000  1336.93  1081.79  ?   ?    54.266   19.399 0.000000 19.39885 
1 1 1    6   18   23 o   28.169   13.681 -1350.3170  985.633   0.0000   0.0000 -1350.3170  985.633  ?   ?    28.169   13.681 0.000000 13.68145 
1 1 1    6   20    0 o   73.964   16.267  2319.09  950.347   0.0000   0.0000  2319.09  950.347  ?   ?    73.964   16.267 0.000000 16.26664 
1 1 1    6   20    1 o  536.427   39.496 120891.50 17081.95   0.0000   0.0000 120891.50 17081.95  ?   ?   536.427   39.496 0.000000 39.49605 
1 1 1    6   20    2 o  771.956   39.063 249740.09 24405.10 292798.31 34488.75 206555.50 34539.34  826.550   51.648  685.107   62.788 141.4425 81.30074 
1 1 1    6   20    3 o  513.507   21.568 108059.70  8992.98 112462.30 15594.80 105866.20 11007.58  517.847   37.339  506.289   26.873 11.55768 46.00382 
1 1 1    6   20    4 o  122.298   11.855  6146.81  1162.44  5185.42  1727.40  6942.51  1571.51  110.909   19.914  129.577   15.227 -18.66849 25.06815 
1 1 1    6   20    5 o  576.504   28.703 137378.00 13435.80 144575.59 19119.75 130356.30 18884.62  585.038   40.499  554.429   42.268 30.60895 58.53792 
1 1 1    6   20    6 o  457.405   23.606 86266.66  8737.51 87088.88 12497.10 85480.40 12220.92  455.864   34.007  451.799   33.553 4.064911 47.77349 
1 1 1    6   20    7 o  320.057   17.879 42050.01  4627.79 39872.36  6698.77 44038.22  6400.77  309.465   26.927  326.055   24.353 -16.59024 36.30626 
1 1 1    6   20    8 o  233.835   10.921 22271.67  2073.47 22693.87  4022.82 22118.93  2419.63  234.015   21.409  232.534   12.865 1.481155 24.97676 
1 1 1    6   20    9 o  217.663   11.405 19362.90  2008.58 14615.95  3913.13 21060.96  2340.42  185.970   26.679  226.848   12.758 -40.87788 29.57228 
1 1 1    6   20   10 o  263.536   13.735 28452.59  2928.87 19601.92  5481.19 31989.65  3465.04  213.726   32.618  279.176   15.345 -65.45052 36.04749 
1 1 1    6   20   11 o  288.744   14.292 34113.79  3350.66 25086.22  6232.88 37783.03  3973.67  241.798   32.576  303.120   16.204 -61.32283 36.38321 
1 1 1    6   20   12 o  242.627   11.992 24054.02  2362.52 22367.14  4606.75 24656.00  2751.96  230.252   25.045  244.992   13.891 -14.73970 28.63908 
1 1 1    6   20   13 o  299.738   17.171 37200.78  4161.54 39220.26  6228.57 35572.32  5593.17  304.323   25.440  290.429   23.931 13.89386 34.92699 
1 1 1    6   20   14 o  292.561   17.514 35699.49  4141.21 36702.87  6405.91 34979.08  5427.95  291.177   27.418  286.547   23.537 4.630127 36.13485 
1 1 1    6   20   15 o   75.875   16.795  2495.88  1007.38  3253.14  2235.88  2303.01  1128.40   86.371   27.946   72.619   18.940 13.75266 33.75943 
1 1 1    6   20   16 o   92.010   11.167  3542.92  817.206  186.644  2504.23  3942.93  864.535   62.516   26.998   97.135   11.164 -34.61890 29.21532 
1 1 1    6   20   17 f  120.400   12.036  6081.17  1160.89  2470.37  3382.24  6563.35  1235.97   82.843   33.157  125.026   12.336 -42.18314 35.37733 
1 1 1    6   20   18 o   79.290   14.634  2736.50  907.417  4225.82  3326.69  2616.79  943.183   93.188   33.924   77.180   15.587 16.00866 37.33354 
1 1 1    6   20   19 o   35.778   15.273   62.791  784.250   24.331  3448.20   64.889  805.356   66.951   30.148   36.232   15.472 30.71916 33.88664 
1 1 1    6   20   20 f   33.967   15.139 -213.7056  845.546 -1693.0220  3796.84 -136.5121  867.326   61.233   28.949   35.135   15.513 26.09795 32.84328 
1 1 1    6   20   21 o   34.004   15.264 -234.6982  876.079   0.0000   0.0000 -234.6982  876.079  ?   ?    34.004   15.264 0.000000 15.26399 
1 1 1    6   20   22 o   83.365   20.680  3599.42  1393.05   0.0000   0.0000  3599.42  1393.05  ?   ?    83.365   20.680 0.000000 20.67982 
1 1 1    6   22    0 o  483.224   25.164 96428.06  9839.19   0.0000   0.0000 96428.06  9839.19  ?   ?   483.224   25.164 0.000000 25.16385 
1 1 1    6   22    1 o  284.807   16.910 33263.14  3892.97   0.0000   0.0000 33263.14  3892.97  ?   ?   284.807   16.910 0.000000 16.91002 
1 1 1    6   22    2 o  182.366   11.367 13594.91  1674.83 12806.31  2941.48 13973.23  2037.34  175.477   21.066  184.615   13.689 -9.138153 25.12252 
1 1 1    6   22    3 o  155.335   11.244  9876.78  1408.55 11277.76  2448.07  9183.45  1722.18  164.963   18.601  149.348   14.379 15.61517 23.51129 
1 1 1    6   22    4 o  503.274   26.317 104885.50 10716.88 99506.41 15316.81 110044.30 15000.08  484.380   39.283  511.048   36.386 -26.66730 53.54528 
1 1 1    6   22    5 o  471.086   24.837 91807.03  9466.72 86937.27 13552.29 96447.55 13229.47  453.202   37.155  478.927   34.246 -25.72507 50.53005 
1 1 1    6   22    6 o  175.193   13.163 12591.22  1858.80 13505.79  2837.60 11903.79  2460.11  180.372   19.695  169.505   18.157 10.86655 26.78764 
1 1 1    6   22    7 o   68.876   15.857  2017.74  868.424  2109.56  1424.86  1963.48  1095.39   71.657   22.200   68.198   19.049 3.459564 29.25229 
1 1 1    6   22    8 o  268.890   16.164 29712.20  3512.66 30078.25  5238.04 29413.06  4735.22  268.538   24.286  266.136   22.113 2.401825 32.84486 
1 1 1    6   22    9 o  595.477   21.487 146397.20 10389.13 168489.41 18545.02 136292.70 12541.95  628.124   36.519  571.801   27.014 56.32288 45.42456 
1 1 1    6   22   10 o  357.385   19.908 52854.77  5754.16 52157.27  8436.87 53461.40  7868.10  350.900   29.897  356.465   27.394 -5.564728 40.54895 
1 1 1    6   22   11 o  192.368   14.126 15248.49  2191.01 15518.27  3451.61 15066.41  2835.56  191.925   22.581  190.188   18.600 1.737808 29.25489 
1 1 1    6   22   12 o   75.550   15.569  2435.54  923.330  4502.05  1829.64  1729.43  1069.51  101.806   22.711   64.108   19.109 37.69872 29.68060 
1 1 1    6   22   13 o  173.262   10.432 12340.88  1460.70 16166.97  3685.43 11627.82  1591.01  193.750   23.935  167.882   11.746 25.86880 26.66198 
1 1 1    6   22   14 o  208.200   11.217 17888.72  1889.33 22069.95  4445.75 16967.14  2087.18  224.687   24.781  202.263   12.774 22.42380 27.87959 
1 1 1    6   22   15 o   90.336   11.148  3416.74  800.375  4169.44  3092.42  3362.70  828.609   95.772   32.908   89.476   11.684 6.296112 34.92096 
1 1 1    6   22   16 o  176.342   11.730 12962.06  1669.93  8384.00  4066.54 13890.67  1831.48  127.438   37.070  182.279   12.449 -54.84073 39.10438 
1 1 1    6   22   17 o   70.544   15.546  2191.84  866.471  4598.52  2950.83  1964.75  906.429   96.295   32.155   66.482   16.788 29.81268 36.27328 
1 1 1    6   22   18 o  101.265   13.530  4413.07  1084.66  4655.00  4064.82  4394.53  1125.46   94.545   36.805  100.792   14.141 -6.247017 39.42826 
1 1 1    6   22   19 o   48.635   17.287  957.615  857.861   17.777  3402.60  1021.41  886.498   65.003   29.541   49.851   17.588 15.15214 34.38095 
1 1 1    6   22   20 o  108.061   16.311  5305.93  1386.63   0.0000   0.0000  5305.93  1386.63  ?   ?   108.061   16.311 0.000000 16.31126 
1 1 1    6   22   21 o   41.463   17.618  335.067  1034.73   0.0000   0.0000  335.067  1034.73  ?   ?    41.463   17.618 0.000000 17.61773 
1 1 1    6   22   22 o   51.133   19.801  1252.07  1171.69   0.0000   0.0000  1252.07  1171.69  ?   ?    51.133   19.801 0.000000 19.80066 
1 1 1    6   24    0 o  216.899   15.315 19319.52  2679.88   0.0000   0.0000 19319.52  2679.88  ?   ?   216.899   15.315 0.000000 15.31512 
1 1 1    6   24    1 o  521.375   27.388 112991.80 11553.65   0.0000   0.0000 112991.80 11553.65  ?   ?   521.375   27.388 0.000000 27.38764 
1 1 1    6   24    2 o  153.029   11.944  9603.66  1472.36  7621.58  2634.61 10503.84  1775.49  133.714   25.190  159.824   13.818 -26.10986 28.73106 
1 1 1    6   24    3 o  194.985   12.246 15564.05  1928.94 14199.84  3431.30 16194.37  2332.38  184.107   23.489  198.576   14.567 -14.46899 27.63921 
1 1 1    6   24    4 o  249.760   13.845 25551.84  2796.65 22206.96  4862.91 27204.80  3418.53  229.973   26.529  257.278   16.450 -27.30553 31.21550 
1 1 1    6   24    5 o   77.570   16.267  2554.93  991.807  3026.43  1603.02  2262.49  1262.45   84.239   22.855   73.121   20.459 11.11775 30.67457 
1 1 1    6   24    6 o  140.876   13.619  8182.96  1538.35  8648.55  2459.62  7883.82  1971.55  143.223   21.842  137.429   18.109 5.793762 28.37243 
1 1 1    6   24    7 o  280.308   16.987 32356.80  3847.90 35038.73  5731.91 30156.65  5191.62  289.549   24.614  268.655   24.054 20.89447 34.41570 
1 1 1    6   24    8 o  263.611   16.514 28634.46  3516.94 30464.14  5320.09 27214.20  4687.21  269.589   24.574  255.239   22.859 14.34978 33.56198 
1 1 1    6   24    9 o  100.637   15.545  4251.98  1229.29  4320.71  2135.24  4217.90  1503.44   99.771   26.069   99.441   19.316 0.3303909 32.44571 
1 1 1    6   24   10 f  141.082   8.3956  8140.91  957.401 10728.46  2581.36  7728.20  1030.93  159.516   20.397  137.328   9.3004 22.18788 22.41731 
1 1 1    6   24   11 o  169.140   9.5987 11727.74  1312.82 16767.78  3562.08 10935.53  1412.24  198.549   22.492  163.110   10.723 35.43845 24.91731 
1 1 1    6   24   12 f   48.431   11.378  1001.83  439.852 -1130.5520  2477.37  1071.24  446.953   55.823   25.307   50.103   11.261 5.720303 27.69886 
1 1 1    6   24   13 o   40.194   12.240  670.808  435.383 -2855.4910  2748.55  761.567  440.950   51.580   24.457   42.442   12.167 9.138367 27.31652 
1 1 1    6   24   14 o   71.039   12.431  2150.29  690.935  907.643  3186.48  2211.60  707.774   73.018   30.966   72.037   12.557 0.9811096 33.41510 
1 1 1    6   24   15 o  274.920   13.701 31650.61  3058.34 32637.53  6508.60 31370.95  3464.67  261.993   31.210  271.974   15.757 -9.980988 34.96178 
1 1 1    6   24   16 o   26.591   12.190 -392.2585  595.794 -578.4012  2807.02 -383.4770  609.686   60.026   27.099   27.058   12.377 32.96835 29.79193 
1 1 1    6   24   17 o   59.010   16.788  1553.72  842.753  1093.57  3358.56  1584.64  870.607   71.653   31.104   59.558   17.103 12.09525 35.49620 
1 1 1    6   24   18 o  154.218   12.761 10181.83  1583.60 11938.73  4752.85  9962.43  1679.57  137.385   40.109  151.904   13.767 -14.51889 42.40559 
1 1 1    6   24   19 o  134.828   13.891  7979.79  1498.91   0.0000   0.0000  7979.79  1498.91  ?   ?   134.828   13.891 0.000000 13.89050 
1 1 1    6   24   20 o  165.293   14.622 12325.17  1942.24   0.0000   0.0000 12325.17  1942.24  ?   ?   165.293   14.622 0.000000 14.62230 
1 1 1    6   24   21 o  112.008   17.491  6176.16  1538.72   0.0000   0.0000  6176.16  1538.72  ?   ?   112.008   17.491 0.000000 17.49061 
1 1 1    6   26    0 o  276.560   18.011 31534.72  4022.36   0.0000   0.0000 31534.72  4022.36  ?   ?   276.560   18.011 0.000000 18.01066 
1 1 1    6   26    1 o  287.436   18.240 34068.28  4234.95   0.0000   0.0000 34068.28  4234.95  ?   ?   287.436   18.240 0.000000 18.24002 
1 1 1    6   26    2 o  392.142   31.497 65023.30  9944.29   0.0000   0.0000 65023.30  9944.29  ?   ?   392.142   31.497 0.000000 31.49723 
1 1 1    6   26    3 o  171.363   15.402 12120.66  2120.21 12289.19  3262.87 11997.50  2789.36  170.552   24.244  169.368   20.715 1.184418 31.88852 
1 1 1    6   26    4 o  548.521   29.516 126568.90 13097.66 121754.70 18856.84 131056.50 18206.07  526.466   44.530  549.343   41.115 -22.87640 60.60786 
1 1 1    6   26    5 o  185.613   15.630 14222.87  2333.76 13104.24  3636.78 15006.00  3042.93  175.427   26.346  189.704   20.059 -14.27676 33.11307 
1 1 1    6   26    6 o  279.827   17.675 32349.41  3995.20 35408.76  6013.78 29932.44  5345.26  290.060   25.804  266.824   24.962 23.23523 35.90174 
1 1 1    6   26    7 o  277.078   18.053 31795.14  4039.46 29312.52  6065.78 33773.50  5414.81  261.940   29.007  283.615   23.732 -21.67429 37.47766 
1 1 1    6   26    8 o  199.576   15.797 16499.03  2538.91 14941.56  4098.11 17469.17  3234.39  185.930   28.015  204.282   19.746 -18.35237 34.27439 
1 1 1    6   26    9 o  379.634   15.604 59506.96  4809.88 64455.66  9313.58 57707.06  5616.89  385.573   29.985  372.553   18.568 13.01901 35.26848 
1 1 1    6   26   10 o  292.510   14.992 35504.46  3548.82 30356.57  7272.31 37113.54  4065.79  257.894   35.685  298.238   16.859 -40.34351 39.46715 
1 1 1    6   26   11 o  321.961   15.083 43109.90  3943.11 46648.55  8003.25 41975.57  4531.25  321.760   31.018  315.815   17.742 5.944885 35.73349 
1 1 1    6   26   12 o  264.122   13.488 29050.45  2883.02 31114.96  6473.92 28539.74  3219.93  259.863   31.313  260.869   15.268 -1.005768 34.83663 
1 1 1    6   26   13 o  156.975   10.771 10223.34  1364.59  8825.13  4235.70 10385.26  1441.44  131.413   37.720  158.048   11.307 -26.63506 39.37844 
1 1 1    6   26   14 o  226.598   12.547 21485.23  2299.52 23516.20  5710.90 21092.23  2512.17  219.318   33.100  223.761   13.896 -4.442520 35.89806 
1 1 1    6   26   15 o  193.681   12.363 15771.06  1934.17 16724.16  5510.78 15637.16  2065.57  174.303   39.811  192.334   13.308 -18.03055 41.97633 
1 1 1    6   26   16 o   62.813   16.264  1768.99  836.022  6888.91  4450.80  1581.74  851.173  108.061   39.254   59.453   16.857 48.60816 42.72060 
1 1 1    6   26   17 o   73.531   16.719  2460.84  975.604 -1120.2190  4956.02  2605.20  995.075   70.409   33.222   75.737   16.636 -5.327393 37.15425 
1 1 1    6   26   18 o  162.639   13.314 11519.55  1742.84   0.0000   0.0000 11519.55  1742.84  ?   ?   162.639   13.314 0.000000 13.31429 
1 1 1    6   26   19 o   91.632   17.451  3994.99  1250.95   0.0000   0.0000  3994.99  1250.95  ?   ?    91.632   17.451 0.000000 17.45077 
1 1 1    6   26   20 o   29.710   13.965 -641.7355  860.903   0.0000   0.0000 -641.7355  860.903  ?   ?    29.710   13.965 0.000000 13.96519 
1 1 1    6   28    0 o  233.101   25.093 22934.63  4674.54   0.0000   0.0000 22934.63  4674.54  ?   ?   233.101   25.093 0.000000 25.09310 
1 1 1    6   28    1 o  280.699   26.908 33330.76  6057.76   0.0000   0.0000 33330.76  6057.76  ?   ?   280.699   26.908 0.000000 26.90840 
1 1 1    6   28    2 o  838.720   45.489 314328.09 30862.85   0.0000   0.0000 314328.09 30862.85  ?   ?   838.720   45.489 0.000000 45.48916 
1 1 1    6   28    3 o  566.397   24.785 134220.20 11398.47 127872.20 20121.63 137219.91 13831.81  531.227   47.139  568.029   30.097 -36.80157 55.92768 
1 1 1    6   28    4 o  103.138   16.449  4484.69  1331.28  4817.34  2519.21  4355.79  1568.12  104.919   28.729  100.862   19.854 4.057289 34.92190 
1 1 1    6   28    5 o  425.756   20.334 75374.47  7029.41 75993.40 12377.43 75079.80  8540.34  414.959   37.128  421.691   25.055 -6.731689 44.79116 
1 1 1    6   28    6 o  156.598   14.806 10187.12  1860.26  8933.74  3296.09 10772.96  2253.46  141.948   29.558  160.348   17.597 -18.40030 34.39994 
1 1 1    6   28    7 o  388.022   23.265 63906.21  7296.14 62078.73 10893.04 65393.17  9825.88  370.813   36.659  385.523   31.669 -14.71024 48.44408 
1 1 1    6   28    8 o  206.029   17.065 17805.83  2829.01 18623.62  4786.70 17366.83  3507.06  204.434   29.706  201.450   21.788 2.983688 36.83953 
1 1 1    6   28    9 o  151.048   17.594  9687.70  2117.42  7896.98  4157.54 10314.86  2460.43  127.894   37.563  154.955   20.024 -27.06140 42.56668 
1 1 1    6   28   10 o  242.280   12.987 24400.04  2545.57 25592.66  6179.16 24156.27  2793.64  233.788   33.510  240.434   14.376 -6.646790 36.46318 
1 1 1    6   28   11 o  157.598   10.216 10275.57  1300.26 13236.90  4549.06 10012.10  1356.87  164.474   35.131  155.379   10.823 9.094971 36.75987 
1 1 1    6   28   12 o  101.272   10.099  4273.66  819.394  4260.11  3515.38  4274.44  842.603   95.729   34.869  101.203   10.402 -5.473785 36.38751 
1 1 1    6   28   13 o   19.562   9.4012 -631.0187  435.829  2857.84  3804.79 -677.4052  438.717   85.976   34.899   19.294   9.3126 66.68112 36.12052 
1 1 1    6   28   14 o  103.446   12.110  4540.66  997.924   47.383  4674.48  4755.22  1021.47   76.124   34.607  105.895   12.097 -29.77090 36.66041 
1 1 1    6   28   15 o  115.419   11.555  5648.06  1068.31  5120.76  4360.68  5681.73  1101.89   96.059   37.904  115.616   11.908 -19.55697 39.73053 
1 1 1    6   28   16 o  175.489   12.858 13218.34  1819.34 16740.79  6280.32 12895.67  1900.84  149.713   46.645  172.725   13.665 -23.01143 48.60544 
1 1 1    6   28   17 o   75.735   17.774  2703.16  1074.19   0.0000   0.0000  2703.16  1074.19  ?   ?    75.735   17.774 0.000000 17.77355 
1 1 1    6   28   18 o   43.757   17.421  654.519  928.719   0.0000   0.0000  654.519  928.719  ?   ?    43.757   17.421 0.000000 17.42052 
1 1 1    6   28   19 o   63.011   18.905  2063.98  1044.32   0.0000   0.0000  2063.98  1044.32  ?   ?    63.011   18.905 0.000000 18.90540 
1 1 1    6   30    0 o  319.044   21.348 42879.23  5498.48   0.0000   0.0000 42879.23  5498.48  ?   ?   319.044   21.348 0.000000 21.34846 
1 1 1    6   30    1 o  291.027   20.424 35610.79  4795.72   0.0000   0.0000 35610.79  4795.72  ?   ?   291.027   20.424 0.000000 20.42402 
1 1 1    6   30    2 o   47.954   20.047  227.594  1305.52   0.0000   0.0000  227.594  1305.52  ?   ?    47.954   20.047 0.000000 20.04743 
1 1 1    6   30    3 o  177.635   18.581 13302.84  2640.31   0.0000   0.0000 13302.84  2640.31  ?   ?   177.635   18.581 0.000000 18.58079 
1 1 1    6   30    4 o  209.230   16.192 18286.07  2729.48 16577.81  5118.58 18964.83  3226.50  190.236   34.404  212.027   18.941 -21.79057 39.27309 
1 1 1    6   30    5 o   23.806   11.857 -2309.8611  911.510 -1130.9700  2837.56 -2445.5071  962.523   60.137   27.189   24.429   12.170 35.70765 29.78856 
1 1 1    6   30    6 o   54.168   20.644  918.169  1259.81  462.980  3255.16  998.360  1366.28   72.305   30.997   56.332   21.492 15.97324 37.71916 
1 1 1    6   30    7 o   33.268   15.359 -729.3326  969.558 -2877.5320  3352.47 -533.2562  1012.84   58.422   27.492   35.667   16.174 22.75516 31.89634 
1 1 1    6   30    8 o  194.401   19.311 16231.97  3007.79 17029.11  5681.12 15921.51  3545.46  184.833   39.076  190.114   23.466 -5.281784 45.58083 
1 1 1    6   30    9 o  130.762   19.521  7461.83  2009.17 11697.26  4710.02  6519.70  2221.42  151.508   38.274  120.206   23.602 31.30170 44.96637 
1 1 1    6   30   10 o  184.551   11.711 14193.85  1745.83 20009.97  5690.18 13589.46  1834.30  199.769   36.422  180.192   12.617 19.57687 38.54536 
1 1 1    6   30   11 o  179.114   10.999 13365.50  1591.96 19848.32  5660.23 12808.63  1658.92  196.321   36.862  175.018   11.742 21.30267 38.68673 
1 1 1    6   30   12 o  178.219   11.409 13300.87  1642.23 18040.62  5482.96 12833.76  1721.25  182.977   38.141  174.661   12.214 8.315887 40.04891 
1 1 1    6   30   13 o  140.700   11.706  8358.46  1325.15  7002.22  5185.32  8453.23  1370.66  107.576   41.655  141.335   12.059 -33.75890 43.36577 
1 1 1    6   30   14 o  123.396   11.548  6468.13  1143.57  4734.25  5211.84  6555.83  1172.14   92.775   39.483  124.131   11.770 -31.35583 41.19976 
1 1 1    6   30   15 o   68.389   15.016  2113.49  811.025  9867.70  6038.87  1971.06  818.439  109.642   44.155   65.794   15.564 43.84777 46.81801 
1 1 1    6   30   16 o   77.668   16.055  2791.22  979.012   0.0000   0.0000  2791.22  979.012  ?   ?    77.668   16.055 0.000000 16.05465 
1 1 1    6   30   17 o   67.784   17.139  2232.71  943.881   0.0000   0.0000  2232.71  943.881  ?   ?    67.784   17.139 0.000000 17.13922 
1 1 1    6   30   18 o   36.694   15.879  189.942  869.894   0.0000   0.0000  189.942  869.894  ?   ?    36.694   15.879 0.000000 15.87920 
1 1 1    6   32    0 o  317.162   22.639 43489.69  5791.73   0.0000   0.0000 43489.69  5791.73  ?   ?   317.162   22.639 0.000000 22.63869 
1 1 1    6   32    1 o  177.974   20.777 13671.49  2945.89   0.0000   0.0000 13671.49  2945.89  ?   ?   177.974   20.777 0.000000 20.77654 
1 1 1    6   32    2 o   92.870   23.972  3881.89  1819.94   0.0000   0.0000  3881.89  1819.94  ?   ?    92.870   23.972 0.000000 23.97165 
1 1 1    6   32    3 o  128.109   22.543  7256.60  2259.30   0.0000   0.0000  7256.60  2259.30  ?   ?   128.109   22.543 0.000000 22.54286 
1 1 1    6   32    4 o  144.385   19.137  9000.99  2188.29  6532.93  4688.86  9688.24  2474.28  115.439   40.473  148.993   21.038 -33.55404 45.61400 
1 1 1    6   32    5 o   75.417   23.903  2496.58  1642.18  7515.53  4259.76  1620.47  1779.75  122.074   38.477   66.361   24.699 55.71355 45.72231 
1 1 1    6   32    6 o  253.521   18.838 27603.11  3850.07 23542.96  7707.24 28953.16  4444.31  206.875   46.957  257.634   21.440 -50.75935 51.62047 
1 1 1    6   32    7 o  213.070   19.190 19655.66  3284.34 23242.89  6741.98 18539.48  3760.75  211.118   40.807  204.109   23.099 7.009216 46.89056 
1 1 1    6   32    8 o  265.439   19.590 30672.64  4192.35 43359.36  8340.32 26383.36  4849.54  294.787   35.563  240.939   25.160 53.84798 43.56306 
1 1 1    6   32    9 o  179.903   21.634 14476.97  3096.84 18925.26  6035.90 12887.61  3607.92  185.782   41.102  164.773   27.967 21.00858 49.71421 
1 1 1    6   32   10 o  110.093   10.129  5069.23  895.315 16040.33  5798.02  4801.24  906.184  165.663   42.799  106.980   10.570 58.68268 44.08545 
1 1 1    6   32   11 o  138.636   10.781  8068.27  1204.02  7547.70  6398.50  8087.38  1225.92  109.047   44.874  138.720   10.974 -29.67236 46.19611 
1 1 1    6   32   12 o   64.665   11.817  1812.69  597.591  3893.61  5037.63  1782.99  601.840   89.481   38.466   64.059   12.012 25.42184 40.29828 
1 1 1    6   32   13 o   32.721   13.450  194.823  574.063  3499.96  5177.34  153.683  577.625   85.095   37.719   32.208   13.389 52.88669 40.02493 
1 1 1    6   32   14 o   83.506   12.881  3068.87  845.320 -2003.7061  6160.60  3166.20  853.392   69.794   33.969   84.896   12.776 -15.10217 36.29222 
1 1 1    6   32   15 o   64.862   15.240  1959.86  789.008   0.0000   0.0000  1959.86  789.008  ?   ?    64.862   15.240 0.000000 15.23988 
1 1 1    6   32   16 o   40.034   15.852  555.588  765.084   0.0000   0.0000  555.588  765.084  ?   ?    40.034   15.852 0.000000 15.85151 
1 1 1    6   32   17 o   97.464   16.358  4679.39  1248.68   0.0000   0.0000  4679.39  1248.68  ?   ?    97.464   16.358 0.000000 16.35809 
1 1 1    6   34    0 o  142.488   34.972 10198.84  4015.97   0.0000   0.0000 10198.84  4015.97  ?   ?   142.488   34.972 0.000000 34.97166 
1 1 1    6   34    1 o  177.579   23.889 14175.63  3357.13   0.0000   0.0000 14175.63  3357.13  ?   ?   177.579   23.889 0.000000 23.88901 
1 1 1    6   34    2 o  117.076   27.629  6478.04  2584.10   0.0000   0.0000  6478.04  2584.10  ?   ?   117.076   27.629 0.000000 27.62859 
1 1 1    6   34    3 o   81.359   26.189  3016.69  1965.54   0.0000   0.0000  3016.69  1965.54  ?   ?    81.359   26.189 0.000000 26.18937 
1 1 1    6   34    4 o   64.586   25.017  1441.48  1870.66   0.0000   0.0000  1441.48  1870.66  ?   ?    64.586   25.017 0.000000 25.01661 
1 1 1    6   34    5 o   71.122   22.997  2251.65  1514.30  929.808  5142.22  2377.17  1584.57   83.797   37.342   72.855   23.521 10.94215 44.13252 
1 1 1    6   34    6 o  109.036   25.492  5627.48  2216.46  1559.40  5728.93  6343.59  2403.64   88.078   39.320  115.481   26.232 -27.40324 47.26705 
1 1 1    6   34    7 o  139.661   25.741  9219.79  2811.47  7320.15  5968.09  9761.60  3187.29  111.470   44.229  141.404   28.740 -29.93407 52.74665 
1 1 1    6   34    8 o   71.006   25.983  2182.60  1955.12  3246.53  5946.38  2053.64  2070.22   92.259   40.682   70.325   26.545 21.93446 48.57640 
1 1 1    6   34    9 o  143.531   24.733  9835.10  2778.39 10755.13  7635.14  9694.67  2982.90  118.287   48.883  140.378   27.152 -22.09087 55.91745 
1 1 1    6   34   10 o   54.221   11.019  1276.40  468.596  3212.23  7209.41  1268.19  469.589   90.366   41.776   54.028   11.076 36.33771 43.21977 
1 1 1    6   34   11 o   59.335   11.144  1530.75  517.165  2924.23  7571.50  1524.22  518.375   86.963   41.041   59.189   11.196 27.77387 42.54115 
1 1 1    6   34   12 o   51.708   14.072  1207.58  606.596 15444.10  7977.87  1124.79  608.358  116.637   49.204   49.971   14.280 66.66618 51.23475 
1 1 1    6   34   13 o   38.037   13.352  587.776  510.421   0.0000   0.0000  587.776  510.421  ?   ?    38.037   13.352 0.000000 13.35248 
1 1 1    6   34   14 o   51.587   16.269  1260.68  761.457   0.0000   0.0000  1260.68  761.457  ?   ?    51.587   16.269 0.000000 16.26873 
1 1 1    6   34   15 o  113.547   13.618  5941.98  1230.49   0.0000   0.0000  5941.98  1230.49  ?   ?   113.547   13.618 0.000000 13.61817 
1 1 1    6   36    0 o   46.492   21.752 -1504.2850  2047.77   0.0000   0.0000 -1504.2850  2047.77  ?   ?    46.492   21.752 0.000000 21.75219 
1 1 1    6   36    1 o   54.646   24.415 -305.9568  2213.38   0.0000   0.0000 -305.9568  2213.38  ?   ?    54.646   24.415 0.000000 24.41455 
1 1 1    6   36    2 o   95.778   31.231  4661.76  2789.75   0.0000   0.0000  4661.76  2789.75  ?   ?    95.778   31.231 0.000000 31.23137 
1 1 1    6   36    3 o   98.988   40.737  5131.86  5273.64   0.0000   0.0000  5131.86  5273.64  ?   ?    98.988   40.737 0.000000 40.73719 
1 1 1    6   36    4 o   89.680   39.222  3091.25  5426.42   0.0000   0.0000  3091.25  5426.42  ?   ?    89.680   39.222 0.000000 39.22237 
1 1 1    6   36    5 o  104.816   45.600  6860.18  7250.19   0.0000   0.0000  6860.18  7250.19  ?   ?   104.816   45.600 0.000000 45.60043 
1 1 1    6   36    6 f   70.453   33.960 -3450.8950  5788.18   0.0000   0.0000 -3450.8950  5788.18  ?   ?    70.453   33.960 0.000000 33.95955 
1 1 1    6   36    7 o  131.216   55.665 19295.50 10302.12   0.0000   0.0000 19295.50 10302.12  ?   ?   131.216   55.665 0.000000 55.66484 
1 1 1    6   36    8 o  108.429   31.847  6621.58  2988.46   0.0000   0.0000  6621.58  2988.46  ?   ?   108.429   31.847 0.000000 31.84691 
1 1 1    6   36    9 o  159.972   29.022 13637.07  3630.92   0.0000   0.0000 13637.07  3630.92  ?   ?   159.972   29.022 0.000000 29.02221 
1 1 1    6   36   10 o   46.869   11.576  975.731  437.922   0.0000   0.0000  975.731  437.922  ?   ?    46.869   11.576 0.000000 11.57560 
1 1 1    6   36   11 o   59.250   11.431  1556.01  529.993   0.0000   0.0000  1556.01  529.993  ?   ?    59.250   11.431 0.000000 11.43059 
1 1 1    6   36   12 o   60.948   13.554  1714.68  653.428   0.0000   0.0000  1714.68  653.428  ?   ?    60.948   13.554 0.000000 13.55430 
1 1 1    6   36   13 o   87.962   12.162  3493.77  845.399   0.0000   0.0000  3493.77  845.399  ?   ?    87.962   12.162 0.000000 12.16199 
1 1 1    6   38    0 o   72.010   30.295  1927.04  3011.02   0.0000   0.0000  1927.04  3011.02  ?   ?    72.010   30.295 0.000000 30.29527 
1 1 1    6   38    1 o  136.921   33.001 10432.42  3625.85   0.0000   0.0000 10432.42  3625.85  ?   ?   136.921   33.001 0.000000 33.00129 
1 1 1    6   38    2 o  146.196   33.119 11895.90  3840.27   0.0000   0.0000 11895.90  3840.27  ?   ?   146.196   33.119 0.000000 33.11860 
1 1 1    6   38    3 o  131.784   33.155  9849.11  3544.63   0.0000   0.0000  9849.11  3544.63  ?   ?   131.784   33.155 0.000000 33.15488 
1 1 1    6   38    4 o  142.188   33.218 11515.48  3765.84   0.0000   0.0000 11515.48  3765.84  ?   ?   142.188   33.218 0.000000 33.21772 
1 1 1    6   38    5 o   90.678   31.365  4752.96  2811.50   0.0000   0.0000  4752.96  2811.50  ?   ?    90.678   31.365 0.000000 31.36539 
1 1 1    6   38    6 o  144.003   34.160 12463.75  3933.90   0.0000   0.0000 12463.75  3933.90  ?   ?   144.003   34.160 0.000000 34.16022 
1 1 1    6   38    7 o   55.838   25.444   18.826  2545.42 -955.3854  9626.87   92.055  2639.36   77.044   38.399   56.895   25.919 20.14821 46.32811 
1 1 1    6   38    8 f   66.470   28.303  2034.53  2680.79  3225.44  8384.72  1898.93  2829.30   78.163   38.375   66.138   28.629 12.02480 47.87752 
1 1 1    6   38    9 o  104.510   34.821  8101.61  3460.94   0.0000   0.0000  8101.61  3460.94  ?   ?   104.510   34.821 0.000000 34.82057 
1 1 1    6   38   10 o  110.867   11.219  5413.13  996.067   0.0000   0.0000  5413.13  996.067  ?   ?   110.867   11.219 0.000000 11.21937 
1 1 1    6   38   11 o   85.016   11.987  3273.22  804.487   0.0000   0.0000  3273.22  804.487  ?   ?    85.016   11.987 0.000000 11.98678 
1 1 1    6   40    0 o  100.361   37.736  7893.53  4175.19   0.0000   0.0000  7893.53  4175.19  ?   ?   100.361   37.736 0.000000 37.73646 
1 1 1    6   40    1 o  196.675   37.424 25658.12  5757.99   0.0000   0.0000 25658.12  5757.99  ?   ?   196.675   37.424 0.000000 37.42382 
1 1 1    6   40    2 o  103.203   37.208  8199.91  3987.88   0.0000   0.0000  8199.91  3987.88  ?   ?   103.203   37.208 0.000000 37.20752 
1 1 1    6   40    3 f  132.520   41.421 14409.95  4947.80   0.0000   0.0000 14409.95  4947.80  ?   ?   132.520   41.421 0.000000 41.42051 
1 1 1    6   40    4 o  120.021   40.917 12565.99  4779.13   0.0000   0.0000 12565.99  4779.13  ?   ?   120.021   40.917 0.000000 40.91666 
1 1 1    6   40    5 o   67.376   30.458  2240.95  3559.60   0.0000   0.0000  2240.95  3559.60  ?   ?    67.376   30.458 0.000000 30.45786 
1 1 1    6   40    6 o   76.666   32.297  4466.43  3429.56   0.0000   0.0000  4466.43  3429.56  ?   ?    76.666   32.297 0.000000 32.29734 
1 1 1    6   40    7 o   66.594   30.183  2832.76  3521.70   0.0000   0.0000  2832.76  3521.70  ?   ?    66.594   30.183 0.000000 30.18250 
1 1 1    6   40    8 o   70.698   31.408  4356.04  3609.22   0.0000   0.0000  4356.04  3609.22  ?   ?    70.698   31.408 0.000000 31.40775 
1 1 1    6   42    0 o   74.198   34.080  6076.52  4688.19   0.0000   0.0000  6076.52  4688.19  ?   ?    74.198   34.080 0.000000 34.07952 
1 1 1    6   42    1 o   70.552   32.936  4973.20  4652.69   0.0000   0.0000  4973.20  4652.69  ?   ?    70.552   32.936 0.000000 32.93613 
1 1 1    6   42    2 f   81.358   36.725  9098.71  5153.12   0.0000   0.0000  9098.71  5153.12  ?   ?    81.358   36.725 0.000000 36.72472 
1 1 1    6   42    3 o   50.854   25.141 -1962.6750  3813.65   0.0000   0.0000 -1962.6750  3813.65  ?   ?    50.854   25.141 0.000000 25.14115 
1 1 1    7    1    1 o  451.269   22.269 83517.96  8159.69 83270.09 11544.78 83765.38 11534.31  447.135   32.010  448.516   31.880 -1.380737 45.17720 
1 1 1    7    1    3 o  243.790   8.9243 24164.09  1766.57 25170.14  2502.76 23165.16  2493.88  248.646   12.397  238.158   12.945 10.48759 17.92344 
1 1 1    7    1    4 o  514.739   17.586 108068.80  7349.99 109326.90 10398.74 106812.80 10390.18  516.545   24.793  510.520   25.065 6.025452 35.25582 
1 1 1    7    1    5 o  883.238   29.896 319918.31 21439.95 323058.69 30324.98 316779.59 30316.35  883.143   42.289  874.347   42.703 8.795166 60.09912 
1 1 1    7    1    6 o  593.839   20.163 143654.30  9722.25 145652.50 13752.69 141658.00 13745.99  596.966   28.373  588.670   28.758 8.296692 40.39872 
1 1 1    7    1    7 o  547.394   18.633 121939.20  8281.79 124451.60 11715.73 119429.90 11708.72  552.371   26.122  541.060   26.652 11.31061 37.31830 
1 1 1    7    1    8 o  786.273   30.678 252410.91 19585.76 230710.91 33929.20 263255.50 23985.56  744.693   56.534  801.990   36.833 -57.29749 67.47466 
1 1 1    7    1    9 o  209.643   8.0739 17849.98  1374.37 17354.33  1945.44 18343.81  1941.87  206.339   11.659  212.182   11.312 -5.842682 16.24521 
1 1 1    7    1   10 o  666.390   22.569 180967.20 12211.87 175965.41 17272.66 185966.09 17267.72  655.805   32.437  674.326   31.537 -18.52094 45.24154 
1 1 1    7    1   11 o  357.781   12.575 52064.27  3653.25 52775.69  5168.06 51353.73  5164.90  359.894   17.685  354.538   18.001 5.355865 25.23479 
1 1 1    7    1   12 o  220.122   12.227 19783.08  2176.82 22548.96  3094.71 17074.44  3062.51  234.564   16.351  203.610   18.734 30.95381 24.86627 
1 1 1    7    1   13 o  296.118   10.787 35686.59  2593.72 34243.59  3666.75 37131.67  3669.41  289.258   15.670  301.711   14.978 -12.45255 21.67752 
1 1 1    7    1   14 o  399.102   14.082 64981.82  4563.27 68194.20  6456.40 61775.33  6450.48  407.941   19.492  387.536   20.573 20.40527 28.34056 
1 1 1    7    1   15 o  157.194   7.3651 10047.77  940.055 10134.29  1328.49  9960.99  1330.39  157.400   10.454  156.029   10.563 1.370621 14.86188 
1 1 1    7    1   16 o  412.114   14.554 69463.59  4870.15 70854.38  6888.92 68073.99  6885.95  414.729   20.457  405.849   20.968 8.880463 29.29397 
1 1 1    7    1   17 o  235.095   9.3371 22522.54  1782.35 21372.76  2518.80 23675.65  2522.44  228.133   13.661  240.279   12.977 -12.14607 18.84200 
1 1 1    7    1   18 o  137.205   7.5086  7690.83  833.337  8358.79  1199.70  7068.05  1158.42  142.658   10.429  131.029   10.990 11.62912 15.15077 
1 1 1    7    1   19 o  201.573   8.8788 16613.65  1453.20 16619.94  2024.56 16606.98  2087.15  200.544   12.495  200.349   12.899 0.1942596 17.95843 
1 1 1    7    1   20 o   34.193   12.091  423.840  419.162  794.656  541.839 -128.7871  661.466   43.839   13.708   31.260   13.682 12.57887 19.36785 
1 1 1    7    1   21 o  239.134   9.8343 23589.80  1909.52 22797.46  2694.32 24389.42  2706.66  232.627   14.334  240.898   13.897 -8.271179 19.96455 
1 1 1    7    1   22 o  115.797   9.6109  5586.63  895.480  5754.23  1278.79  5425.37  1254.37  115.985   13.853  112.505   14.037 3.479706 19.72130 
1 1 1    7    1   23 o  164.250   9.4595 11258.28  1256.23 10697.23  1723.40 11894.36  1835.02  157.850   13.579  166.418   13.702 -8.568100 19.29031 
1 1 1    7    1   24 o  111.165   10.473  5260.55  934.143  4465.29  1267.17  6207.17  1382.51   99.184   16.301  118.320   14.708 -19.13545 21.95538 
1 1 1    7    1   25 o  108.593   12.049  5195.25  1044.53  4889.79  1395.49  5584.42  1575.13  101.057   17.649  107.068   18.804 -6.011581 25.78952 
1 1 1    7    1   26 o  111.796   12.861  5742.25  1146.19  4984.79  1586.33  6569.64  1657.95   95.311   21.059  112.886   18.746 -17.57535 28.19391 
1 1 1    7    3    2 o  657.893   32.100 179148.30 17147.18 182011.70 24258.17 176288.80 24241.40  655.218   45.886  644.336   46.650 10.88220 65.43564 
1 1 1    7    3    3 o  745.499   29.272 228937.80 17719.02 240411.50 30719.27 223217.20 21691.03  751.758   50.621  733.226   36.434 18.53284 62.36906 
1 1 1    7    3    4 o  755.781   25.575 234020.00 15694.73 230146.80 22198.79 237890.91 22192.61  745.949   36.651  758.631   36.028 -12.68176 51.39344 
1 1 1    7    3    5 o  399.237   13.846 64838.07  4488.58 63868.24  6351.60 65805.60  6344.04  395.835   19.762  401.819   19.444 -5.984467 27.72408 
1 1 1    7    3    6 o  558.865   19.021 127161.80  8631.31 127943.90 12211.90 126381.10 12201.13  559.790   26.867  556.344   27.010 3.446106 38.09667 
1 1 1    7    3    7 o  639.478   21.698 166536.41 11266.15 169641.09 15939.38 163437.00 15926.11  644.442   30.461  632.477   31.012 11.96429 43.46982 
1 1 1    7    3    8 o  866.274   33.750 306705.00 23739.59 283197.81 41119.07 318457.91 29074.63  823.785   61.927  881.399   40.626 -57.61401 74.06368 
1 1 1    7    3    9 f  305.019   10.911 37798.75  2702.24 38260.57  3826.30 37339.23  3816.80  306.379   15.430  302.646   15.585 3.733612 21.93135 
1 1 1    7    3   10 o  965.162   32.446 381303.00 25427.58 371712.19 35963.59 390890.00 35956.48  948.809   46.682  973.388   45.494 -24.57813 65.18333 
1 1 1    7    3   11 o  646.089   21.819 170471.59 11446.55 170379.41 16190.35 170563.59 16185.39  643.999   30.962  644.354   30.936 -0.3544312 43.76850 
1 1 1    7    3   12 o  144.497   9.7457  8529.71  1136.75  8383.80  1637.68  8665.38  1579.14  142.730   14.324  145.230   13.548 -2.500183 19.71616 
1 1 1    7    3   13 o  432.408   15.044 76278.78  5282.10 77248.29  7472.18 75310.41  7467.84  434.113   21.199  428.040   21.556 6.073425 30.23307 
1 1 1    7    3   14 o  701.702   24.077 202803.80 13718.04 197807.00 19400.31 207800.50 19400.16  686.809   34.903  705.367   33.873 -18.55768 48.63747 
1 1 1    7    3   15 o  175.612   7.6414 12542.18  1089.60 12102.07  1529.28 12995.94  1552.83  171.995   11.008  178.286   10.777 -6.290009 15.40567 
1 1 1    7    3   16 o  334.756   12.173 45735.88  3308.64 47602.51  4679.18 43869.34  4679.07  340.685   16.915  326.430   17.720 14.25558 24.49736 
1 1 1    7    3   17 o  239.755   9.5130 23429.59  1851.93 22616.57  2615.29 24247.28  2622.77  234.654   13.787  243.081   13.339 -8.427994 19.18373 
1 1 1    7    3   18 o  149.203   7.5518  9092.21  911.904  9323.43  1291.12  8862.06  1288.14  150.659   10.622  146.822   10.883 3.836945 15.20755 
1 1 1    7    3   19 o   35.943   12.452  480.676  443.220  801.264  640.035  185.285  614.369   45.056   14.972   34.220   13.973 10.83563 20.47939 
1 1 1    7    3   20 o  122.697   8.2460  6193.25  816.740  4801.78  1149.05  7614.16  1161.14  106.685   13.572  135.551   10.635 -28.86666 17.24250 
1 1 1    7    3   21 o   90.374   9.0155  3393.39  652.736  3539.60  877.055  3211.86  977.272   91.512   12.100   86.389   14.442 5.122925 18.84115 
1 1 1    7    3   22 o  109.476   9.7958  5003.85  861.554  5934.62  1168.17  3893.72  1275.77  118.391   12.333   93.655   17.418 24.73601 21.34185 
1 1 1    7    3   23 o   59.183   13.381  1547.45  627.924  2047.96  814.588  814.550  985.725   67.660   15.199   48.042   18.273 19.61798 23.76745 
1 1 1    7    3   24 o  112.938   9.8921  5405.63  897.987  5044.94  1232.35  5813.97  1311.21  106.504   14.637  114.578   14.413 -8.073784 20.54225 
1 1 1    7    3   25 o   35.272   14.170  351.512  620.239  849.333  803.612 -381.9703  975.449   45.039   16.630   34.183   15.643 10.85585 22.83092 
1 1 1    7    3   26 o   55.801   16.051  1565.53  766.247  969.007  939.189  2753.01  1325.11   46.113   17.764   69.190   21.405 -23.07631 27.81553 
1 1 1    7    5    1 o  690.699   33.746 197685.09 18925.67 193332.91 26761.41 202039.59 26768.46  673.836   49.253  689.639   48.105 -15.80359 68.84766 
1 1 1    7    5    2 o  588.288   28.741 142457.70 13728.54 139995.00 19421.63 144917.00 19408.54  577.459   41.702  587.927   40.912 -10.46765 58.41928 
1 1 1    7    5    3 o  674.825   25.903 186691.41 14192.99 201575.09 24642.51 179303.30 17361.86  693.630   43.982  659.527   32.421 34.10364 54.63973 
1 1 1    7    5    4 o  426.293   14.319 73949.61  4956.32 73180.21  7007.51 74719.80  7011.08  423.566   20.375  428.018   20.174 -4.452118 28.67281 
1 1 1    7    5    5 f  300.868   10.881 36788.12  2658.23 37844.00  3760.60 35733.68  3758.02  305.006   15.185  295.946   15.695 9.059692 21.83839 
1 1 1    7    5    6 o  581.019   19.730 137435.70  9308.05 135797.00 13167.62 139072.41 13159.54  576.717   28.119  583.672   27.767 -6.954651 39.51865 
1 1 1    7    5    7 o  693.648   23.381 196009.80 13168.49 209744.70 18628.47 182290.80 18617.66  716.465   32.022  666.716   34.509 49.74945 47.07737 
1 1 1    7    5    8 f  303.213   10.795 37350.86  2657.82 38883.90  3763.93 35826.27  3753.54  309.276   14.988  296.438   15.650 12.83820 21.66962 
1 1 1    7    5    9 o  1190.81   39.718 581547.38 38403.07 576917.31 54316.55 586175.38 54303.75  1179.92   56.694  1189.55   56.222 -9.629883 79.84487 
1 1 1    7    5   10 o  371.337   13.018 56065.89  3925.16 55590.11  5558.19 56539.22  5543.88  369.003   18.611  372.626   18.323 -3.623016 26.11714 
1 1 1    7    5   11 o  286.936   10.403 33475.92  2423.65 31806.63  3433.15 35134.38  3422.00  279.040   15.210  293.758   14.347 -14.71774 20.90867 
1 1 1    7    5   12 o  777.925   30.758 250154.50 19428.13 259583.91 33704.65 245462.50 23775.44  776.783   53.769  766.900   38.181 9.882996 65.94633 
1 1 1    7    5   13 o  412.100   14.360 69262.73  4804.94 69318.35  6802.12 69207.35  6788.32  411.317   20.367  410.992   20.342 0.3248291 28.78555 
1 1 1    7    5   14 o  491.077   16.991 98639.52  6774.85 98488.18  9587.01 98790.50  9575.17  488.848   24.153  489.618   24.085 -0.7701416 34.10965 
1 1 1    7    5   15 o  527.221   18.252 114007.50  7813.50 109629.80 11054.78 118377.70 11045.13  513.428   26.609  534.672   25.442 -21.24438 36.81446 
1 1 1    7    5   16 o  394.543   13.998 63654.93  4484.41 63706.30  6346.10 63603.68  6337.73  392.760   19.965  392.447   19.955 0.3138733 28.22769 
1 1 1    7    5   17 o   87.451   7.3387  3134.33  516.287  2576.30  715.750  3739.61  745.435   78.596   11.561   95.272   9.7746 -16.67625 15.13937 
1 1 1    7    5   18 o  468.402   16.328 90626.41  6209.90 96098.66  8798.56 85194.86  8765.79  478.566   22.643  449.045   24.130 29.52115 33.09017 
1 1 1    7    5   19 o  107.037   8.0618  4707.45  695.509  4134.34  941.620  5395.50  1031.74   99.539   11.886  114.023   11.292 -14.48412 16.39463 
1 1 1    7    5   20 o  295.397   11.334 36045.21  2718.60 36149.96  3866.56 35942.80  3823.17  292.727   16.333  291.980   16.190 0.7466431 22.99699 
1 1 1    7    5   21 o  118.716   8.8624  5831.48  848.123  5570.47  1116.91  6186.94  1303.44  115.069   12.137  120.847   13.515 -5.777733 18.16510 
1 1 1    7    5   22 o   67.021   12.352  1939.77  647.403  2038.97  812.650  1767.44  1071.09   67.928   15.123   62.919   19.207 5.008984 24.44583 
1 1 1    7    5   23 o  117.462   10.044  5804.50  948.764  5041.86  1211.71  7012.95  1525.29  107.545   14.225  126.544   15.146 -18.99928 20.77861 
1 1 1    7    5   24 o  162.618   10.648 11255.42  1398.18 10434.87  2030.06 11995.92  1928.50  151.535   16.781  164.673   14.574 -13.13754 22.22571 
1 1 1    7    5   25 o   35.486   14.415  338.089  649.651  166.897  733.156  963.790  1401.65   34.750   14.799   50.941   20.987 -16.19062 25.68038 
1 1 1    7    5   26 o   33.346   14.070  237.628  652.454  237.628  652.454   0.0000   0.0000   33.346   14.070  ?   ?  0.000000 14.06960 
1 1 1    7    7    0 o  973.002   47.828 397644.81 37786.69 393735.59 53449.66 401550.81 53427.24  948.393   69.902  958.579   69.107 -10.18567 98.29554 
1 1 1    7    7    1 o  204.132   11.681 17005.86  1928.00 16300.56  2729.11 17708.58  2724.11  199.239   17.033  207.824   16.273 -8.584717 23.55751 
1 1 1    7    7    2 o  337.816   17.315 46629.23  4733.36 44791.16  6708.58 48451.38  6679.48  329.872   25.238  343.360   24.111 -13.48767 34.90415 
1 1 1    7    7    3 o  283.425   11.160 32656.09  2568.31 34866.88  4526.40 31606.36  3119.02  291.854   19.208  278.734   13.781 13.12009 23.64044 
1 1 1    7    7    4 o  385.145   15.577 60350.20  4871.25 58771.98  8515.31 61117.91  5939.00  378.180   27.928  387.395   18.881 -9.214813 33.71179 
1 1 1    7    7    5 o  609.542   19.608 151268.80  9704.79 150924.91 13724.64 151612.80 13724.64  607.977   27.802  609.369   27.738 -1.391724 39.27301 
1 1 1    7    7    6 o  238.199   8.9404 23046.95  1729.17 24555.90  2444.20 21534.98  2446.63  245.817   12.246  229.807   13.167 16.00977 17.98113 
1 1 1    7    7    7 o  189.452   8.6809 14577.99  1335.37 17239.08  2264.41 13159.10  1653.48  205.500   13.648  179.606   11.397 25.89417 17.78127 
1 1 1    7    7    8 o  1125.48   43.170 520026.31 39450.95 535768.31 48319.13 488549.69 68326.03  1139.46   52.225  1074.50   78.865 64.96143 94.58947 
1 1 1    7    7    9 o  270.397   9.4609 29702.76  2077.18 29280.00  2940.72 30123.72  2934.43  268.031   13.556  272.220   13.276 -4.188568 18.97436 
1 1 1    7    7   10 o  249.134   8.9179 25220.52  1804.00 32023.63  2556.97 18478.09  2545.54  280.661   11.220  212.570   14.841 68.09088 18.60544 
1 1 1    7    7   11 o  456.206   17.948 84939.28  6648.45 77459.63  8139.97 99928.26 11523.05  434.300   23.167  491.943   28.976 -57.64328 37.09856 
1 1 1    7    7   12 o  567.851   22.606 132274.09 10422.91 129939.30 18123.25 133428.00 12740.79  555.218   40.480  568.891   27.582 -13.67303 48.98343 
1 1 1    7    7   13 o  282.145   10.589 32403.49  2425.87 33829.24  3437.38 30988.77  3424.06  287.557   14.772  275.094   15.391 12.46259 21.33286 
1 1 1    7    7   14 o  598.233   20.372 146946.91  9895.55 145177.09 14001.85 148712.91 13987.00  591.138   29.171  598.474   28.783 -7.335571 40.98113 
1 1 1    7    7   15 o  267.798   10.181 29213.61  2213.88 28495.01  3133.60 29929.74  3128.20  263.602   14.699  270.247   14.307 -6.645050 20.51211 
1 1 1    7    7   16 o  487.812   16.807 97671.28  6656.95 97199.43  9424.16 98141.16  9404.57  483.909   23.985  486.322   23.816 -2.413300 33.80094 
1 1 1    7    7   17 o  108.692   7.3044  4830.53  640.896  5394.41  903.928  4260.54  908.818  114.582   9.8104  101.518   11.213 13.06374 14.89851 
1 1 1    7    7   18 o   99.642   7.7415  4072.60  621.415  4354.19  883.063  3796.36  874.624  102.580   10.762   95.572   11.502 7.008247 15.75183 
1 1 1    7    7   19 o   67.665   10.067  1918.86  536.256  1687.77  684.773  2285.31  862.317   62.649   13.831   72.862   15.073 -10.21271 20.45718 
1 1 1    7    7   20 o  145.766   8.4768  8744.27  998.958  8260.95  1367.55  9297.20  1462.73  140.684   12.089  149.276   12.174 -8.592072 17.15685 
1 1 1    7    7   21 o   89.836   9.0778  3358.71  653.088  2737.18  810.701  4507.75  1102.29   79.961   12.928  102.854   13.527 -22.89279 18.71120 
1 1 1    7    7   22 o   91.931   9.6546  3542.43  709.907  3086.76  929.933  4178.91  1099.05   84.260   14.090   98.283   14.182 -14.02269 19.99159 
1 1 1    7    7   23 o   72.149   11.892  2255.31  672.398  2521.42  799.020  1609.54  1244.69   75.753   13.484   60.194   20.867 15.55938 24.84454 
1 1 1    7    7   24 o   31.904   12.884  240.333  515.714  287.512  587.792   82.577  1074.84   34.101   13.761   40.292   17.544 -6.191299 22.29654 
1 1 1    7    7   25 o   37.711   17.250 -324.2593  1184.31   0.0000   0.0000 -324.2593  1184.31  ?   ?    37.711   17.250 0.000000 17.24990 
1 1 1    7    9    0 o  437.078   15.339 77743.09  5443.56 79559.22  7711.98 75939.75  7684.82  441.645   21.506  430.876   22.039 10.76862 30.79331 
1 1 1    7    9    1 o  334.331   13.990 45465.82  3797.88 48289.85  6561.28 44042.89  4657.42  343.147   23.694  328.417   17.529 14.73053 29.47316 
1 1 1    7    9    2 o  634.864   30.808 165018.09 15881.25 166751.59 22471.17 163288.20 22447.79  634.014   43.921  627.227   44.363 6.787048 62.42706 
1 1 1    7    9    3 o  401.393   20.000 65617.98  6518.36 68054.02  9237.81 63202.34  9199.02  407.198   28.112  392.188   29.095 15.01001 40.45740 
1 1 1    7    9    4 o  490.576   18.097 97933.20  7208.53 108939.70 12581.02 92553.84  8795.42  515.478   30.190  476.593   22.728 38.88498 37.78931 
1 1 1    7    9    5 o  391.285   15.591 62254.74  4953.52 69556.55  8680.05 58728.22  6032.25  412.205   26.068  379.361   19.651 32.84409 32.64520 
1 1 1    7    9    6 o  1421.14   67.552 842048.81 77948.99   0.0000   0.0000 842048.81 77948.99  ?   ?   1421.14   67.552 0.000000 67.55160 
1 1 1    7    9    7 o  392.163   13.258 62501.85  4221.53 65182.12  5972.11 59825.09  5968.19  400.291   18.374  383.456   19.169 16.83548 26.55280 
1 1 1    7    9    8 o  850.591   33.070 295915.31 22839.62 305619.59 27967.43 276484.69 39574.31  862.972   39.913  813.154   60.369 49.81787 72.37033 
1 1 1    7    9    9 o  842.331   28.027 290186.59 19168.90 285772.41 27111.98 294598.81 27105.87  832.702   40.099  845.658   39.476 -12.95630 56.26953 
1 1 1    7    9   10 o  675.819   26.551 187265.59 14569.89 175475.30 17847.33 210823.09 25227.49  651.362   33.862  709.761   43.992 -58.39941 55.51476 
1 1 1    7    9   11 o  544.620   18.493 121199.20  8177.75 115152.00 11569.00 127238.10 11561.19  528.260   27.063  556.388   25.591 -28.12769 37.24625 
1 1 1    7    9   12 o  208.879   9.8160 17750.36  1664.82 16284.48  2985.46 18411.91  2005.60  198.660   18.729  212.325   11.678 -13.66519 22.07184 
1 1 1    7    9   13 o  146.649   7.0407  8741.92  838.367  8504.82  1187.28  8977.71  1183.98  144.190   10.207  148.196   9.8964 -4.006073 14.21692 
1 1 1    7    9   14 o   55.272   7.9075  1267.71  344.764  1209.19  442.755  1357.83  549.494   53.561   10.556   56.620   12.304 -3.058353 16.21157 
1 1 1    7    9   15 o  274.783   10.407 30770.05  2322.02 31164.54  3290.66 30378.80  3277.06  275.630   14.757  272.098   14.889 3.532257 20.96319 
1 1 1    7    9   16 o  211.790   8.5645 18266.58  1472.80 16716.17  2069.18 19858.69  2096.81  201.841   12.690  220.217   11.769 -18.37613 17.30763 
1 1 1    7    9   17 o  117.844   7.2182  5675.57  687.351  5446.71  962.992  5913.26  981.391  115.014   10.425  119.915   10.175 -4.900795 14.56779 
1 1 1    7    9   18 o  100.013   7.4787  4102.56  602.926  4940.89  827.291  3152.86  880.528  109.517   9.3943   86.608   12.916 22.90827 15.97117 
1 1 1    7    9   19 o  298.009   11.094 36588.88  2684.41 38132.20  3801.83 35054.45  3790.86  301.738   15.571  288.893   16.226 12.84515 22.48876 
1 1 1    7    9   20 o  113.771   7.9375  5331.52  728.656  4455.42  954.357  6556.08  1128.30  103.074   11.605  125.388   11.200 -22.31457 16.12823 
1 1 1    7    9   21 o  106.772   8.5466  4724.01  734.741  3839.27  921.411  6268.96  1217.59   95.143   12.209  121.817   12.486 -26.67474 17.46320 
1 1 1    7    9   22 o   39.579   12.975  644.027  481.273  373.241  565.086  1359.21  918.354   35.572   13.758   55.762   17.896 -20.18969 22.57330 
1 1 1    7    9   23 o   85.497   17.235  3348.32  1155.16  4650.74  3070.82  3133.65  1246.73   90.249   32.633   81.638   19.140 8.610886 37.83199 
1 1 1    7    9   24 o   57.530   19.482  1569.67  1083.45   0.0000   0.0000  1569.67  1083.45  ?   ?    57.530   19.482 0.000000 19.48246 
1 1 1    7    9   25 f   35.615   13.223  494.453  509.488  661.212  558.334 -335.4576  1245.56   39.305   13.949   38.199   17.553 1.105690 22.42017 
1 1 1    7   11    0 o  1259.38   61.257 661798.50 62639.43   0.0000   0.0000 661798.50 62639.43  ?   ?   1259.38   61.257 0.000000 61.25680 
1 1 1    7   11    1 o  1440.80  105.144 913596.50 122156.00   0.0000   0.0000 913596.50 122156.00  ?   ?   1440.80  105.144 0.000000 105.1436 
1 1 1    7   11    2 o  541.412   26.501 119585.10 11650.29 116634.70 16487.09 122527.60 16464.93  531.931   38.431  545.479   37.400 -13.54871 53.62582 
1 1 1    7   11    3 o  615.028   29.676 154450.80 14819.53 169414.09 20986.13 139567.50 20929.95  641.315   40.510  580.887   44.719 60.42786 60.33910 
1 1 1    7   11    4 f  802.401   55.768 267563.41 36108.52   0.0000   0.0000 267563.41 36108.52  ?   ?   802.401   55.768 0.000000 55.76820 
1 1 1    7   11    5 o  1442.42   69.642 868619.81 81564.72 923881.62 115385.50 813425.88 115314.40  1465.64   97.515  1369.21  104.512 96.42725 142.9404 
1 1 1    7   11    6 o  1042.86   37.212 445194.69 31509.55 564226.88 54704.02 386094.50 38546.19  1167.29   57.717  966.986   49.257 200.2998 75.87791 
1 1 1    7   11    7 o  226.197   12.537 20858.24  2293.67 23361.42  3306.15 18535.54  3184.74  239.029   17.149  212.611   18.636 26.41827 25.32546 
1 1 1    7   11    8 o  995.534   39.251 407969.69 31727.99 419170.00 55079.38 402407.41 38814.77  993.054   68.732  985.156   48.524 7.897827 84.13439 
1 1 1    7   11    9 o  200.605   7.0556 16348.38  1149.26 14814.57  1623.21 17890.07  1627.38  190.597   10.530  209.794   9.5534 -19.19690 14.21755 
1 1 1    7   11   10 o  818.652   27.027 275631.09 17965.14 259088.09 25412.41 292158.81 25400.68  786.833   39.907  837.960   37.332 -51.12671 54.64667 
1 1 1    7   11   11 o  591.169   20.173 143087.00  9683.04 137216.00 13700.98 148946.00 13686.80  575.483   29.419  600.794   28.057 -25.31110 40.65327 
1 1 1    7   11   12 o  286.873   10.673 33501.07  2486.02 34833.29  3522.40 32178.85  3509.18  291.771   14.918  280.319   15.477 11.45251 21.49655 
1 1 1    7   11   13 o  410.860   15.236 68969.24  5082.73 69631.88  7196.11 68309.55  7180.04  410.960   21.642  406.982   21.807 3.977570 30.72316 
1 1 1    7   11   14 o  420.636   14.676 72331.13  5012.50 71574.20  7099.99 73083.29  7077.55  416.401   21.068  421.388   20.685 -4.986664 29.52531 
1 1 1    7   11   15 o  371.248   13.452 56340.88  4055.09 56403.42  5742.25 56278.67  5727.30  369.667   19.197  369.267   19.168 0.4007568 27.12778 
1 1 1    7   11   16 o  324.563   11.880 43053.26  3130.85 42096.98  4433.87 44004.22  4421.55  319.344   17.163  326.652   16.727 -7.307404 23.96528 
1 1 1    7   11   17 o  268.420   10.644 29472.48  2319.90 32170.33  3293.91 26817.02  3267.93  279.154   14.583  254.398   15.900 24.75642 21.57485 
1 1 1    7   11   18 o  167.203   8.1957 11425.69  1112.67 13467.36  1600.26  9514.85  1548.14  180.738   10.956  151.372   12.714 29.36633 16.78318 
1 1 1    7   11   19 o  277.671   10.747 31785.46  2422.96 31545.99  3417.50 32027.49  3435.75  274.033   15.422  276.144   15.384 -2.111542 21.78321 
1 1 1    7   11   20 o  146.416   8.2860  8832.43  981.045  7917.90  1298.84 10047.26  1496.97  137.578   11.739  154.995   11.988 -17.41626 16.77876 
1 1 1    7   11   21 o  118.949   12.426  5992.92  1182.41  5255.98  2616.93  6181.96  1325.42  102.472   29.717  120.251   13.826 -17.77870 32.77637 
1 1 1    7   11   22 o  117.555   12.530  5911.04  1177.53  8960.22  2864.39  5290.94  1291.73  134.019   27.251  110.048   14.834 23.97106 31.02674 
1 1 1    7   11   23 o  124.778   9.3012  6553.68  935.591  1226.48  1121.67 18734.45  1696.11   53.880   19.686  211.061   9.8971 -157.1818 22.03349 
1 1 1    7   11   24 o   71.826   11.376  2274.41  641.351  2023.34  714.035  3322.71  1459.03   66.547   13.672   79.705   21.879 -13.15785 25.79970 
1 1 1    7   11   25 o  102.956   11.092  4720.09  912.586  4557.03  1064.07  5173.61  1774.59   99.060   13.587   94.708   23.249 4.351959 26.92788 
1 1 1    7   13    1 f  571.280   28.381 133148.80 13164.97   0.0000   0.0000 133148.80 13164.97  ?   ?   571.280   28.381 0.000000 28.38129 
1 1 1    7   13    2 o  590.508   41.366 143681.30 19708.87   0.0000   0.0000 143681.30 19708.87  ?   ?   590.508   41.366 0.000000 41.36649 
1 1 1    7   13    3 o  1293.08   62.458 694386.69 65577.64 716049.50 92771.75 672752.81 92709.87  1295.83   88.706  1253.83   91.701 42.00085 127.5842 
1 1 1    7   13    4 o  328.550   16.990 44016.07  4517.06 49132.21  6434.53 39045.02  6342.64  346.579   22.996  308.474   25.553 38.10513 34.37679 
1 1 1    7   13    5 f  488.922   23.996 97404.14  9526.16 103266.80 13518.05 91620.65 13426.46  501.478   33.390  471.897   35.297 29.58185 48.58731 
1 1 1    7   13    6 o  769.407   36.897 242766.00 23050.50 256970.70 32657.67 228664.09 32539.30  786.321   51.434  740.498   54.502 45.82324 74.93886 
1 1 1    7   13    7 o  812.354   31.569 270532.09 20823.07 291718.09 36231.07 260082.30 25445.40  834.354   53.766  794.357   39.451 39.99744 66.68719 
1 1 1    7   13    8 o  405.778   16.106 67081.08  5306.44 72320.30  9356.99 64597.22  6442.66  419.022   27.657  397.319   20.035 21.70331 34.15151 
1 1 1    7   13    9 o  413.801   17.759 69904.99  5966.98 57581.11 10501.55 75780.76  7251.23  370.974   35.289  430.405   20.749 -59.42999 40.93665 
1 1 1    7   13   10 o  259.164   11.488 27342.17  2417.46 26871.46  4367.05 27550.13  2902.79  255.229   21.266  259.627   13.820 -4.398422 25.36207 
1 1 1    7   13   11 o  327.851   13.748 43827.98  3659.80 44335.64  6522.43 43594.71  4421.43  327.269   24.728  326.214   16.749 1.054993 29.86610 
1 1 1    7   13   12 o  185.609   7.6795 14008.11  1157.36 14416.53  1638.78 13601.70  1634.73  187.846   10.790  182.409   11.090 5.436523 15.47263 
1 1 1    7   13   13 o  499.868   17.313 102372.50  7026.96 100274.40  9952.52 104458.20  9922.79  491.700   25.011  502.721   24.309 -11.02100 34.87802 
1 1 1    7   13   14 o  342.127   12.425 47783.54  3451.64 45506.80  4890.14 50044.01  4872.63  332.356   18.190  349.251   17.183 -16.89548 25.02225 
1 1 1    7   13   15 o   69.832   7.2594  2005.59  405.604  1587.23  520.954  2649.56  646.334   61.478   10.832   79.971   10.185 -18.49312 14.86812 
1 1 1    7   13   16 o   22.483   8.9104  108.887  241.956   45.165  284.346  276.096  460.610   22.591   9.3926   32.212   12.431 -9.620378 15.58068 
1 1 1    7   13   17 o  144.750   7.3331  8566.17  859.067  8503.96  1203.80  8630.74  1226.32  143.720   10.386  144.770   10.504 -1.049103 14.77141 
1 1 1    7   13   18 o  169.897   8.3495 11814.31  1151.83 12588.16  1587.18 10953.31  1674.16  174.449   11.265  162.228   12.814 12.22148 17.06179 
1 1 1    7   13   19 o  113.348   11.050  5359.04  1004.03  2732.02  2698.14  5781.27  1081.71   81.823   30.420  117.649   11.469 -35.82674 32.51027 
1 1 1    7   13   20 o   46.621   16.997  791.616  835.523  2562.23  2048.57  438.311  915.093   76.273   26.751   42.930   17.224 33.34310 31.81665 
1 1 1    7   13   21 o   73.872   10.137  2308.82  591.998  2520.37  661.216  1454.14  1329.05   77.014   10.877   59.568   21.479 17.44682 24.07601 
1 1 1    7   13   22 o  108.705   9.4616  4964.10  826.800  4826.17  960.594  5358.39  1624.10  106.428   11.288  107.739   19.273 -1.310806 22.33529 
1 1 1    7   13   23 o  113.189   9.2439  5416.85  842.154  5888.88  1076.09  4670.85  1352.81  116.817   11.494  100.351   17.223 16.46690 20.70595 
1 1 1    7   13   24 o   87.805   10.271  3355.92  718.424  3478.32  805.328  2878.84  1589.92   88.713   11.447   71.626   23.588 17.08665 26.21910 
1 1 1    7   13   25 o   59.434   12.714  1666.28  595.028  1666.28  595.028   0.0000   0.0000   59.434   12.714  ?   ?  0.000000 12.71449 
1 1 1    7   15    0 o  1386.98   67.496 802957.19 76013.21   0.0000   0.0000 802957.19 76013.21  ?   ?   1386.98   67.496 0.000000 67.49619 
1 1 1    7   15    1 o  642.569   25.511 168306.70 13310.46 179612.09 23069.44 162665.09 16296.61  659.939   43.292  630.192   31.953 29.74725 53.80695 
1 1 1    7   15    2 o  631.172   25.220 162392.00 12925.20 177858.50 22371.71 154642.80 15835.53  656.857   42.169  614.381   31.853 42.47656 52.84708 
1 1 1    7   15    3 o  1003.78   48.333 415536.69 39392.77 434951.00 55750.65 396179.31 55669.02  1017.23   67.888  968.962   71.257 48.27039 98.41908 
1 1 1    7   15    4 o  1121.08   54.016 521549.09 49169.63 555145.88 69588.48 488052.81 69484.35  1142.78   75.420  1067.73   80.744 75.05469 110.4884 
1 1 1    7   15    5 o  348.133   18.141 49485.48  5110.15 50311.02  7290.52 48688.16  7164.80  350.021   25.835  344.302   25.817 5.719055 36.52320 
1 1 1    7   15    6 o  667.192   32.244 182941.09 17467.91 197399.59 24773.95 168646.20 24633.35  687.923   44.593  634.193   48.198 53.73065 65.66211 
1 1 1    7   15    7 o  725.741   32.535 217250.91 19172.08 247619.09 27337.05 187856.50 26895.19  768.678   43.982  666.056   50.098 102.6218 66.66493 
1 1 1    7   15    8 o  374.347   13.930 57097.75  4234.06 71361.89  7551.84 50558.18  5113.34  416.732   22.400  351.385   17.982 65.34653 28.72504 
1 1 1    7   15    9 o  662.482   27.455 180971.41 14768.57 167381.09 25802.73 187592.80 18010.46  623.407   51.434  672.191   32.998 -48.78357 61.10942 
1 1 1    7   15   10 o  345.423   14.344 48671.16  4023.06 51463.04  7202.64 47405.20  4850.16  352.562   25.329  340.045   17.627 12.51718 30.85892 
1 1 1    7   15   11 f  189.974   9.7757 14727.21  1502.82 12458.20  2838.61 15610.86  1771.44  173.037   20.609  195.453   11.209 -22.41565 23.45994 
1 1 1    7   15   12 o  273.327   12.500 30471.79  2774.08 26029.99  5084.16 32354.75  3310.26  249.588   25.443  281.043   14.556 -31.45517 29.31276 
1 1 1    7   15   13 o  553.420   22.479 126518.60 10101.17 124036.80 17783.18 127700.70 12273.36  535.919   41.182  553.744   27.297 -17.82495 49.40730 
1 1 1    7   15   14 o  142.835   8.9477  8342.03  1032.49 10929.72  2193.88  7605.82  1170.19  162.293   16.896  136.146   10.671 26.14656 19.98370 
1 1 1    7   15   15 o  111.459   9.3456  5101.35  837.983  4004.49  1898.46  5366.77  933.883   96.044   24.319  114.226   10.176 -18.18166 26.36241 
1 1 1    7   15   16 o  382.905   13.006 60255.55  4043.51 61486.55  5752.25 59053.11  5685.12  384.451   18.427  376.687   18.587 7.763702 26.17356 
1 1 1    7   15   17 o  161.994   10.404 10816.42  1361.25 13508.56  2981.22 10107.29  1530.06  177.272   21.128  156.137   12.165 21.13527 24.37977 
1 1 1    7   15   18 o  104.279   10.783  4529.84  899.847  5446.69  2427.86  4383.84  968.850  108.379   27.534  102.288   11.887 6.090240 29.99066 
1 1 1    7   15   19 f  102.336   8.9277  4340.97  734.403  4630.08  820.030  3169.43  1650.72  105.528   9.6781   83.176   23.438 22.35162 25.35720 
1 1 1    7   15   20 o   30.857   10.776  356.037  332.246  320.698  347.749  726.098  1125.31   30.295   10.977   49.199   19.305 -18.90435 22.20813 
1 1 1    7   15   21 o  135.288   8.9431  7622.72  976.849  8297.57  1293.42  6726.71  1490.36  140.063   11.474  124.203   15.088 15.86038 18.95515 
1 1 1    7   15   22 o   20.218   9.3820 -299.8059  368.667 -149.0196  412.238 -902.1326  823.916   23.534   10.524   28.036   13.322 -4.501823 16.97695 
1 1 1    7   15   23 o   29.025   11.661  204.953  420.102  381.276  464.527 -586.8651  984.397   33.231   12.567   33.081   15.344 0.1496506 19.83319 
1 1 1    7   15   24 o   74.370   11.101  2468.98  649.795  2579.41  716.191  1954.90  1545.30   75.429   12.103   59.723   22.840 15.70610 25.84833 
1 1 1    7   17    0 o  211.507   13.030 18257.87  2226.86   0.0000   0.0000 18257.87  2226.86  ?   ?   211.507   13.030 0.000000 13.03014 
1 1 1    7   17    1 o  710.708   28.312 206560.41 16338.05 213777.20 28335.37 202966.20 19996.89  716.294   49.014  703.148   35.025 13.14606 60.24186 
1 1 1    7   17    2 o  868.664   34.501 309936.41 24334.30 341339.59 42147.47 294234.00 29803.58  900.487   57.952  842.356   43.725 58.13123 72.59690 
1 1 1    7   17    3 o  394.340   20.160 63578.97  6433.47 70445.13  9161.33 56898.57  9036.55  413.955   27.411  371.303   30.236 42.65176 40.81181 
1 1 1    7   17    4 o  657.839   32.210 178035.59 17204.85 183724.00 24395.88 172407.00 24267.29  662.450   45.633  641.066   46.947 21.38373 65.47108 
1 1 1    7   17    5 o  217.495   13.179 19325.57  2316.41 20514.67  3365.24 18254.86  3193.31  223.424   18.723  210.649   18.870 12.77499 26.58235 
1 1 1    7   17    6 o  331.839   25.788 45499.06  6893.67 45499.06  6893.67   0.0000   0.0000  331.839   25.788  ?   ?  0.000000 25.78752 
1 1 1    7   17    7 o  305.379   12.624 37980.98  3130.14 40661.88  5696.08 36821.17  3746.52  314.114   22.482  300.055   15.430 14.05957 27.26744 
1 1 1    7   17    8 o  308.374   11.729 38721.80  2936.89 47147.75  5349.23 35085.95  3513.86  338.836   19.526  292.910   14.823 45.92639 24.51455 
1 1 1    7   17    9 o  193.000   11.384 15221.60  1776.06  7588.18  3373.07 18149.76  2089.12  132.552   31.757  210.706   12.264 -78.15448 34.04281 
1 1 1    7   17   10 o  132.026   8.6480  7120.95  921.953  4924.53  1936.27  7764.92  1048.43  107.403   22.902  137.814   9.4259 -30.41187 24.76611 
1 1 1    7   17   11 o  256.526   10.710 26808.33  2230.71 34994.51  4191.23 23572.90  2634.92  291.679   17.782  239.920   13.582 51.75893 22.37524 
1 1 1    7   17   12 o  276.493   11.764 31184.98  2641.07 36186.42  4897.82 29134.46  3136.08  295.730   20.524  266.526   14.546 29.20383 25.15632 
1 1 1    7   17   13 o  272.119   12.142 30239.45  2682.85 31460.07  5009.73 29748.62  3176.78  274.693   22.663  269.167   14.590 5.525726 26.95348 
1 1 1    7   17   14 o   61.611   10.911  1595.63  525.857 -1658.2170  1466.07  2076.06  563.343   38.110   18.008   70.627   10.112 -32.51667 20.65320 
1 1 1    7   17   15 o  108.074   9.7855  4810.65  849.390  4068.93  2184.76  4942.72  921.916   96.316   26.902  109.442   10.504 -13.12607 28.87960 
1 1 1    7   17   16 o  153.037   13.246  9736.14  1629.73 12902.53  3098.02  8524.63  1916.31  172.850   22.616  142.045   16.950 30.80444 28.26288 
1 1 1    7   17   17 o   40.593   16.240  366.720  811.006  3295.27  2227.59 -80.7721  870.767   86.128   27.897   36.614   15.866 49.51383 32.09303 
1 1 1    7   17   18 o   49.960   19.195  780.490  1094.67  865.198  2374.86  757.638  1233.52   65.016   27.097   51.467   20.207 13.54879 33.80223 
1 1 1    7   17   19 o   64.993   17.455  1880.34  940.674  3631.00  2727.74  1644.04  1002.15   87.762   30.864   61.136   18.560 26.62591 36.01463 
1 1 1    7   17   20 o  112.089   12.513  5354.16  1119.44  7063.52  3364.05  5141.31  1187.10  114.104   33.863  109.321   13.672 4.782928 36.51885 
1 1 1    7   17   21 o  116.638   14.039  5931.15  1302.86  6768.11  3292.80  5775.80  1418.63  107.934   33.799  114.115   15.728 -6.181763 37.27962 
1 1 1    7   17   22 o   28.058   13.352 -906.7512  833.686   0.0000   0.0000 -906.7512  833.686  ?   ?    28.058   13.352 0.000000 13.35213 
1 1 1    7   17   23 o   47.619   19.563  793.240  1213.56   0.0000   0.0000  793.240  1213.56  ?   ?    47.619   19.563 0.000000 19.56293 
1 1 1    7   19    0 o  431.221   22.326 76281.11  7790.46   0.0000   0.0000 76281.11  7790.46  ?   ?   431.221   22.326 0.000000 22.32624 
1 1 1    7   19    1 o  241.229   12.018 23679.31  2353.97 24080.04  4145.02 23488.55  2859.91  241.744   21.336  239.665   14.768 2.079391 25.94847 
1 1 1    7   19    2 o  531.965   22.008 115820.40  9505.94 121639.80 16494.91 112926.60 11631.74  539.693   37.881  523.414   27.465 16.27881 46.79021 
1 1 1    7   19    3 f  505.227   26.322 105190.10 10760.46 115511.50 15127.46 94619.09 15309.34  526.331   35.607  474.417   40.119 51.91428 53.64097 
1 1 1    7   19    4 o  366.030   28.191 55535.88  8313.98 55535.88  8313.98   0.0000   0.0000  366.030   28.191  ?   ?  0.000000 28.19088 
1 1 1    7   19    5 o  407.326   21.147 68149.25  6969.92 70047.47  9956.84 66325.33  9760.01  410.574   30.076  399.383   30.323 11.19052 42.70935 
1 1 1    7   19    6 o  275.863   15.756 31160.77  3514.54 31228.07  5082.51 31099.10  4865.23  274.852   22.985  274.483   22.015 0.3697815 31.82729 
1 1 1    7   19    7 o  289.036   16.410 34236.38  3835.43 32717.50  5579.82 35596.80  5280.75  280.856   24.720  293.597   22.319 -12.74100 33.30465 
1 1 1    7   19    8 f  101.304   8.4637  4203.00  689.813  2639.73  1538.69  4596.23  771.710   79.203   22.735  105.906   9.0615 -26.70234 24.47392 
1 1 1    7   19    9 o  474.039   17.407 92003.35  6700.21 109243.90 11965.16 84127.51  8087.08  512.027   28.898  452.154   22.028 59.87277 36.33594 
1 1 1    7   19   10 o  393.214   16.395 63300.21  5234.48 63681.57  9449.77 63131.39  6287.17  389.497   30.114  391.447   19.846 -1.949585 36.06512 
1 1 1    7   19   11 o  142.585   8.9153  8309.12  1026.98  7672.69  2241.35  8478.24  1155.40  134.864   21.165  143.919   9.9483 -9.054733 23.38622 
1 1 1    7   19   12 o  520.487   22.501 112241.20  9509.31 103085.00 16896.83 116485.60 11504.09  484.220   43.438  527.310   26.959 -43.08981 51.12357 
1 1 1    7   19   13 o  240.785   15.432 23908.92  3001.27 20420.18  4579.35 26535.85  3973.67  219.171   26.255  252.578   19.527 -33.40726 32.72084 
1 1 1    7   19   14 o  286.775   16.813 34120.69  3897.87 35327.21  5951.09 33214.20  5158.35  287.761   25.742  280.398   22.856 7.362396 34.42406 
1 1 1    7   19   15 o  161.721   14.129 10890.91  1836.65  9813.63  3398.89 11335.20  2182.77  147.577   29.397  164.247   16.595 -16.67014 33.75786 
1 1 1    7   19   16 o  100.026   10.522  4160.01  841.742  4723.00  2810.73  4104.54  882.232  101.067   31.158   99.208   11.145 1.859459 33.09171 
1 1 1    7   19   17 f   34.345   14.236  149.441  650.443  2734.80  2186.62 -101.5335  681.283   79.580   27.653   31.984   13.945 47.59632 30.97066 
1 1 1    7   19   18 o   67.810   14.859  2012.74  795.505  1286.72  3037.22  2066.22  824.281   72.475   30.456   68.638   15.192 3.836800 34.03423 
1 1 1    7   19   19 f  127.173   11.700  6823.44  1194.55  8237.73  3369.46  6620.13  1277.53  125.514   32.725  124.797   12.788 0.7172394 35.13500 
1 1 1    7   19   20 o   49.086   17.778  948.820  912.005  7666.85  3674.24  507.738  941.468  114.455   35.681   43.544   17.470 70.91094 39.72810 
1 1 1    7   19   21 o  116.423   15.243  6052.11  1406.36   0.0000   0.0000  6052.11  1406.36  ?   ?   116.423   15.243 0.000000 15.24335 
1 1 1    7   19   22 o  136.137   14.817  8418.07  1611.43   0.0000   0.0000  8418.07  1611.43  ?   ?   136.137   14.817 0.000000 14.81722 
1 1 1    7   19   23 f   84.592   25.226  4412.30  1863.57   0.0000   0.0000  4412.30  1863.57  ?   ?    84.592   25.226 0.000000 25.22635 
1 1 1    7   21    0 o  272.726   16.189 30468.81  3568.90   0.0000   0.0000 30468.81  3568.90  ?   ?   272.726   16.189 0.000000 16.18894 
1 1 1    7   21    1 o  703.962   35.977 207191.70 20495.48   0.0000   0.0000 207191.70 20495.48  ?   ?   703.962   35.977 0.000000 35.97686 
1 1 1    7   21    2 o  312.823   14.645 39912.06  3719.85 37820.91  6505.84 40927.75  4534.12  301.758   26.833  315.952   17.746 -14.19406 32.16988 
1 1 1    7   21    3 o  315.444   14.906 40595.48  3817.84 47341.30  6656.65 37288.75  4660.57  338.424   24.388  301.253   19.153 37.17044 31.00976 
1 1 1    7   21    4 o  712.722   36.182 212910.00 20870.32 204967.41 29651.62 220708.00 29380.45  686.598   53.612  714.860   50.951 -28.26251 73.96124 
1 1 1    7   21    5 o  697.023   34.847 203020.30 19722.16 206329.80 28032.82 199776.70 27752.00  690.604   50.338  679.216   50.686 11.38837 71.43550 
1 1 1    7   21    6 o  447.261   23.557 82589.65  8524.99 79091.13 12216.24 85910.63 11902.22  433.324   35.020  452.799   32.591 -19.47543 47.83896 
1 1 1    7   21    7 o  531.279   27.415 117270.70 11786.21 114878.80 16861.07 119556.30 16481.85  519.013   40.327  530.632   38.516 -11.61945 55.76501 
1 1 1    7   21    8 o  103.604   7.5303  4388.21  629.141  5811.48  1658.19  4148.87  679.986  117.775   17.903  100.635   8.3984 17.14025 19.77542 
1 1 1    7   21    9 o  258.785   10.887 27296.41  2287.71 33557.18  4479.31 25087.02  2660.93  285.060   19.469  247.501   13.290 37.55827 23.57223 
1 1 1    7   21   10 o  207.667   14.389 17726.01  2411.29 15508.17  3676.96 19399.48  3193.99  191.966   24.123  216.494   18.342 -24.52759 30.30405 
1 1 1    7   21   11 o  153.796   13.181  9743.50  1630.10  9786.35  2624.74  9716.59  2079.82  152.260   21.857  152.846   17.049 -0.5868530 27.72024 
1 1 1    7   21   12 o  258.408   16.110 27578.11  3363.35 25286.61  5066.80 29383.21  4497.01  244.087   25.964  265.201   21.057 -21.11414 33.42941 
1 1 1    7   21   13 o  243.787   11.750 24358.56  2325.80 27646.80  4767.26 23331.44  2664.40  255.295   23.253  237.765   13.861 17.52985 27.07083 
1 1 1    7   21   14 o  302.555   14.311 37877.96  3515.71 36821.76  6963.55 38239.29  4072.91  287.884   30.242  302.571   16.642 -14.68695 34.51892 
1 1 1    7   21   15 o  156.986   10.437 10180.14  1322.85 12074.64  3611.39  9886.55  1421.67  163.014   28.311  154.434   11.418 8.580032 30.52720 
1 1 1    7   21   16 o   91.497   12.648  3539.99  914.498  1613.07  3190.36  3712.49  954.554   76.930   31.675   93.667   12.893 -16.73761 34.19855 
1 1 1    7   21   17 o  122.794   11.990  6335.46  1180.21  6596.90  3219.95  6294.88  1268.49  114.518   32.893  122.041   13.001 -7.522354 35.36899 
1 1 1    7   21   18 o   86.208   15.154  3248.65  1022.04 -2951.3960  3665.42  3771.33  1064.25   58.802   27.986   93.286   14.523 -34.48384 31.53016 
1 1 1    7   21   19 o   44.419   16.924  668.442  846.450  1770.12  3171.15  583.929  878.317   73.088   30.938   43.695   17.081 29.39280 35.33972 
1 1 1    7   21   20 o   64.246   18.450  1932.56  1013.12  9073.35  4433.54  1539.14  1040.65  114.802   39.406   58.088   19.081 56.71363 43.78245 
1 1 1    7   21   21 o  136.553   14.523  8368.06  1585.55   0.0000   0.0000  8368.06  1585.55  ?   ?   136.553   14.523 0.000000 14.52305 
1 1 1    7   21   22 o   28.741   14.080 -1733.7960  1110.06   0.0000   0.0000 -1733.7960  1110.06  ?   ?    28.741   14.080 0.000000 14.08032 
1 1 1    7   23    0 o  200.416   20.561 16649.26  3298.54   0.0000   0.0000 16649.26  3298.54  ?   ?   200.416   20.561 0.000000 20.56111 
1 1 1    7   23    1 o  111.762   19.687  5268.45  1721.29   0.0000   0.0000  5268.45  1721.29  ?   ?   111.762   19.687 0.000000 19.68710 
1 1 1    7   23    2 o  406.566   22.363 68176.94  7354.09 63072.75 10566.05 72972.87 10242.03  387.042   33.965  417.948   30.388 -30.90634 45.57480 
1 1 1    7   23    3 o  285.018   17.023 33351.48  3921.64 34565.77  5720.51 32274.81  5386.60  288.448   24.662  278.823   24.028 9.625244 34.43141 
1 1 1    7   23    4 o  216.329   14.626 19198.30  2553.94 20221.67  3809.73 18363.03  3441.85  220.751   21.529  210.508   20.392 10.24283 29.65338 
1 1 1    7   23    5 o  154.090   13.314  9760.79  1649.39 10784.91  2511.34  8983.92  2187.27  160.929   19.626  146.843   18.774 14.08563 27.15959 
1 1 1    7   23    6 o  398.535   21.673 65615.20  6986.97 64863.18 10103.77 66304.40  9672.48  392.291   31.999  397.441   30.199 -5.149994 43.99875 
1 1 1    7   23    7 o  309.152   18.232 39368.70  4556.29 36489.71  6703.44 41840.81  6211.75  294.574   28.377  317.006   24.318 -22.43201 37.37172 
1 1 1    7   23    8 o  137.335   13.295  7777.69  1464.03  8509.20  2290.01  7272.04  1903.95  142.310   20.402  131.820   18.280 10.49007 27.39355 
1 1 1    7   23    9 o  507.680   26.938 108008.60 11064.51 105659.90 15980.72 110171.20 15334.43  492.774   40.293  505.371   37.639 -12.59616 55.13825 
1 1 1    7   23   10 o  221.860   10.591 20089.33  1907.98 23985.78  4065.01 18988.37  2160.79  239.685   21.103  215.132   12.423 24.55350 24.48761 
1 1 1    7   23   11 f  227.262   12.425 21218.09  2284.00 18306.98  4712.62 22111.82  2611.17  205.648   29.030  231.662   13.947 -26.01407 32.20642 
1 1 1    7   23   12 o  154.043   10.310  9754.64  1282.09  8765.12  3418.74  9916.58  1383.03  139.492   30.989  155.182   11.048 -15.68965 32.90005 
1 1 1    7   23   13 o  188.792   10.947 14691.18  1670.83 15062.48  3916.61 14608.58  1847.36  184.527   26.934  187.927   12.172 -3.399551 29.55671 
1 1 1    7   23   14 o  232.464   12.350 22416.69  2322.71 21019.15  5257.96 22755.54  2589.03  213.447   31.265  233.647   13.707 -20.19975 34.13771 
1 1 1    7   23   15 o  148.005   11.219  9110.78  1338.24 10148.14  3909.00  8973.06  1424.31  143.753   34.019  146.601   12.073 -2.848312 36.09799 
1 1 1    7   23   16 o   81.078   13.939  2832.25  884.574  3227.75  3554.22  2806.14  913.312   87.768   34.347   80.515   14.504 7.252838 37.28335 
1 1 1    7   23   17 o   51.612   17.649  1093.09  889.232  1639.02  3753.40  1060.63  915.290   77.733   33.304   51.323   17.888 26.41006 37.80369 
1 1 1    7   23   18 o  195.068   12.690 16173.65  1999.02 13834.50  5199.73 16579.33  2165.44  149.704   41.391  196.836   13.633 -47.13200 43.57804 
1 1 1    7   23   19 o   48.110   18.370  841.694  998.703  8066.57  4614.82  486.697  1022.94  107.892   39.848   44.134   18.026 63.75882 43.73609 
1 1 1    7   23   20 o   76.452   19.696  2869.14  1230.21   0.0000   0.0000  2869.14  1230.21  ?   ?    76.452   19.696 0.000000 19.69612 
1 1 1    7   23   21 o   51.169   19.560  1175.39  1133.02   0.0000   0.0000  1175.39  1133.02  ?   ?    51.169   19.560 0.000000 19.55981 
1 1 1    7   25    0 f  214.392   15.730 18905.07  2719.17   0.0000   0.0000 18905.07  2719.17  ?   ?   214.392   15.730 0.000000 15.73009 
1 1 1    7   25    1 o  350.455   20.212 50669.96  5727.19   0.0000   0.0000 50669.96  5727.19  ?   ?   350.455   20.212 0.000000 20.21236 
1 1 1    7   25    2 o  190.549   15.513 14951.34  2379.41   0.0000   0.0000 14951.34  2379.41  ?   ?   190.549   15.513 0.000000 15.51348 
1 1 1    7   25    3 o  473.385   25.592 93206.92  9800.28 91104.57 14124.59 95158.63 13609.16  461.425   38.039  473.068   35.693 -11.64322 52.16229 
1 1 1    7   25    4 f  615.717   32.146 159784.50 16015.41 159417.00 22935.44 160134.30 22373.43  602.399   47.270  605.075   45.881 -2.676086 65.87474 
1 1 1    7   25    5 o  298.725   18.377 36805.98  4435.91 35120.82  6563.02 38223.30  6018.89  288.668   28.367  302.559   24.716 -13.89059 37.62399 
1 1 1    7   25    6 o  147.477   14.244  8979.97  1684.40  9682.76  2716.41  8540.94  2147.00  151.335   22.815  142.853   18.980 8.482178 29.67753 
1 1 1    7   25    7 f  334.700   20.029 46405.33  5418.10 42072.73  8005.91 50066.58  7359.55  313.872   31.855  345.191   26.459 -31.31909 41.41040 
1 1 1    7   25    8 o   36.795   15.454   79.966  781.338  2224.19  1683.07 -509.0907  882.157   74.199   24.261   33.273   15.091 40.92627 28.57166 
1 1 1    7   25    9 o  199.849   9.1300 16290.76  1481.53 24898.99  3421.16 14303.86  1643.64  245.014   17.308  186.771   10.885 58.24332 20.44648 
1 1 1    7   25   10 o  228.668   11.685 21486.52  2162.40 23763.37  4715.93 20880.37  2433.27  235.657   25.029  224.991   13.380 10.66603 28.38100 
1 1 1    7   25   11 o  210.853   10.506 18227.81  1798.76 24455.21  4481.54 17031.94  1963.89  238.671   23.427  203.189   11.956 35.48187 26.30199 
1 1 1    7   25   12 o  226.977   12.219 21321.24  2243.70 23344.61  5042.64 20821.78  2505.37  229.008   27.680  223.687   13.862 5.321548 30.95757 
1 1 1    7   25   13 o  235.792   11.983 23058.96  2286.69 25034.37  5165.77 22577.54  2550.16  235.618   27.520  232.624   13.560 2.993698 30.67939 
1 1 1    7   25   14 o  219.340   12.375 20062.30  2194.92 20073.09  5153.39 20059.92  2425.96  205.132   31.983  218.662   13.734 -13.53011 34.80709 
1 1 1    7   25   15 o  154.639   11.558 10001.78  1440.76 13414.38  4638.16  9637.33  1515.74  160.943   36.351  151.432   12.437 9.510574 38.41986 
1 1 1    7   25   16 f  150.561   11.512  9524.65  1396.63 10440.41  4267.75  9414.82  1478.01  137.611   37.273  149.332   12.299 -11.72096 39.25010 
1 1 1    7   25   17 o   47.331   16.888  882.872  819.529  3915.80  3588.84  716.017  841.770   87.791   34.467   45.060   16.944 42.73130 38.40709 
1 1 1    7   25   18 o   17.648   8.9634 -2477.7241  676.356 -3013.1101  4534.82 -2465.5430  684.007   61.998   29.928   17.860   9.0653 44.13766 31.27092 
1 1 1    7   25   19 o   84.699   16.653  3336.36  1104.45   0.0000   0.0000  3336.36  1104.45  ?   ?    84.699   16.653 0.000000 16.65301 
1 1 1    7   25   20 o   90.407   16.879  3921.36  1193.46   0.0000   0.0000  3921.36  1193.46  ?   ?    90.407   16.879 0.000000 16.87885 
1 1 1    7   25   21 o   49.177   21.704  785.712  1696.21   0.0000   0.0000  785.712  1696.21  ?   ?    49.177   21.704 0.000000 21.70422 
1 1 1    7   27    0 o  208.454   24.046 18267.18  3995.29   0.0000   0.0000 18267.18  3995.29  ?   ?   208.454   24.046 0.000000 24.04578 
1 1 1    7   27    1 o  239.742   24.514 24123.27  4704.88   0.0000   0.0000 24123.27  4704.88  ?   ?   239.742   24.514 0.000000 24.51429 
1 1 1    7   27    2 o  593.933   46.460 156473.50 22227.16   0.0000   0.0000 156473.50 22227.16  ?   ?   593.933   46.460 0.000000 46.46035 
1 1 1    7   27    3 o  169.148   13.608 11779.96  1853.15 10722.68  3301.42 12266.33  2239.18  158.195   26.649  172.134   16.212 -13.93950 31.19311 
1 1 1    7   27    4 o  313.522   16.616 40504.46  4214.86 39199.89  7472.52 41113.18  5104.33  303.060   30.795  314.819   20.073 -11.75861 36.75906 
1 1 1    7   27    5 o  459.237   20.905 87413.12  7795.30 84257.05 13594.73 88959.14  9514.92  438.897   38.538  460.315   25.558 -21.41824 46.24265 
1 1 1    7   27    6 o  159.582   14.377 10534.40  1842.88 10365.98  3163.92 10620.88  2267.17  155.133   26.041  159.463   17.814 -4.330261 31.55106 
1 1 1    7   27    7 o  161.406   15.637 10830.75  2023.59 10022.91  3373.84 11284.67  2528.98  151.237   28.520  163.781   19.394 -12.54445 34.48952 
1 1 1    7   27    8 o  193.293   16.000 15553.08  2488.58 17077.71  4120.19 14677.42  3122.49  198.711   26.173  186.068   21.037 12.64238 33.57962 
1 1 1    7   27    9 f   78.129   9.5085  2534.12  590.768 -795.5618  3068.07  2662.33  602.034   64.545   28.798   80.123   9.4348 -15.57772 30.30370 
1 1 1    7   27   10 o  181.664   10.246 13590.48  1505.20 14202.50  4100.56 13495.18  1618.16  177.205   29.539  180.810   11.075 -3.604935 31.54695 
1 1 1    7   27   11 o  242.912   11.494 24354.04  2267.03 32926.18  5432.87 22546.73  2494.60  273.591   24.723  232.747   13.255 40.84349 28.05239 
1 1 1    7   27   12 o  194.087   11.125 15617.87  1745.94 18529.70  5010.97 15215.53  1862.66  197.623   32.348  191.218   12.059 6.405777 34.52207 
1 1 1    7   27   13 o   43.019   13.602  767.634  531.997 -1151.3340  3591.84  810.675  537.930   65.785   30.072   43.993   13.642 21.79215 33.02222 
1 1 1    7   27   14 o  125.373   11.429  6596.06  1150.70  2274.67  4458.73  6904.42  1191.05   85.453   36.446  128.243   11.563 -42.78975 38.23646 
1 1 1    7   27   15 o   43.367   15.224  732.081  663.504   65.988  3323.47  759.731  677.136   66.705   29.851   44.011   15.383 22.69429 33.58186 
1 1 1    7   27   16 o   66.673   15.941  2002.84  851.330 -527.8334  4703.92  2088.54  865.625   71.758   33.371   68.102   15.937 3.656349 36.98122 
1 1 1    7   27   17 o   37.087   15.572  198.119  792.883 -2332.8420  5346.30  255.038  801.749   67.666   32.621   37.927   15.771 29.73911 36.23354 
1 1 1    7   27   18 o   64.356   19.636  2020.02  1119.70   0.0000   0.0000  2020.02  1119.70  ?   ?    64.356   19.636 0.000000 19.63616 
1 1 1    7   27   19 f   47.289   18.427  906.140  1019.66   0.0000   0.0000  906.140  1019.66  ?   ?    47.289   18.427 0.000000 18.42687 
1 1 1    7   27   20 o   46.303   20.427  554.591  1500.98   0.0000   0.0000  554.591  1500.98  ?   ?    46.303   20.427 0.000000 20.42736 
1 1 1    7   29    0 o  223.879   18.125 20856.23  3266.58   0.0000   0.0000 20856.23  3266.58  ?   ?   223.879   18.125 0.000000 18.12532 
1 1 1    7   29    1 o  244.482   18.643 24886.16  3672.86   0.0000   0.0000 24886.16  3672.86  ?   ?   244.482   18.643 0.000000 18.64260 
1 1 1    7   29    2 o  352.287   21.649 51968.08  6162.52   0.0000   0.0000 51968.08  6162.52  ?   ?   352.287   21.649 0.000000 21.64874 
1 1 1    7   29    3 o  232.177   18.588 22495.80  3474.85   0.0000   0.0000 22495.80  3474.85  ?   ?   232.177   18.588 0.000000 18.58813 
1 1 1    7   29    4 o  250.833   15.640 26069.09  3169.48 26919.04  5816.05 25710.06  3780.10  248.810   29.354  247.941   18.919 0.8686829 34.92268 
1 1 1    7   29    5 o  285.424   17.057 33925.91  3934.86 35169.79  7037.52 33360.19  4746.04  282.623   31.187  281.256   20.932 1.366882 37.55997 
1 1 1    7   29    6 o  289.773   17.443 35108.47  4084.93 37835.13  7441.91 33932.64  4886.97  291.295   31.991  282.782   21.443 8.512665 38.51264 
1 1 1    7   29    7 o  144.688   17.245  8861.40  1986.08  2712.41  4313.20 10515.99  2237.39   93.031   37.369  157.577   17.799 -64.54546 41.39164 
1 1 1    7   29    8 o  111.082   19.758  5366.34  1716.72  9035.94  3978.78  4526.91  1902.97  137.206   35.458  100.588   23.690 36.61803 42.64413 
1 1 1    7   29    9 o  122.993   18.845  6545.96  1822.03 10548.54  4182.45  5608.43  2024.20  147.330   35.403  112.045   23.020 35.28594 42.22869 
1 1 1    7   29   10 f   87.136   9.0731  3151.67  632.523  3074.52  3313.39  3154.59  644.373   87.543   33.452   87.140   9.2485 0.4034271 34.70741 
1 1 1    7   29   11 o  114.254   9.8690  5422.52  906.563  9637.03  4401.22  5235.79  926.430  135.741   38.278  112.144   10.289 23.59637 39.63657 
1 1 1    7   29   12 o   39.381   13.605  598.290  528.859  1504.54  3442.50  576.384  535.213   76.457   32.292   39.027   13.674 37.43049 35.06777 
1 1 1    7   29   13 o   93.649   11.924  3722.84  886.164  3185.65  4793.32  3741.85  901.707   89.931   38.050   93.825   12.119 -3.893570 39.93349 
1 1 1    7   29   14 o   34.963   13.763  326.134  573.635  1428.20  4792.52  310.115  577.789   80.294   35.896   34.791   13.775 45.50315 38.44828 
1 1 1    7   29   15 o  136.739   11.565  7944.79  1272.02  4809.42  5237.75  8141.30  1311.28   92.221   39.422  138.311   11.789 -46.09022 41.14652 
1 1 1    7   29   16 o   35.157   15.477 -89.5945  857.242 -5227.5601  5633.01   32.219  867.345   62.645   30.892   36.561   15.839 26.08393 34.71549 
1 1 1    7   29   17 o   61.381   18.034  1813.11  958.138   0.0000   0.0000  1813.11  958.138  ?   ?    61.381   18.034 0.000000 18.03374 
1 1 1    7   29   18 o   99.366   16.183  4688.85  1260.70   0.0000   0.0000  4688.85  1260.70  ?   ?    99.366   16.183 0.000000 16.18258 
1 1 1    7   29   19 o   36.639   17.463 -944.7067  1438.03   0.0000   0.0000 -944.7067  1438.03  ?   ?    36.639   17.463 0.000000 17.46296 
1 1 1    7   31    0 o  453.489   27.431 89784.92 10053.15   0.0000   0.0000 89784.92 10053.15  ?   ?   453.489   27.431 0.000000 27.43127 
1 1 1    7   31    1 o  261.395   20.423 29016.10  4300.33   0.0000   0.0000 29016.10  4300.33  ?   ?   261.395   20.423 0.000000 20.42349 
1 1 1    7   31    2 o  229.910   19.904 22455.06  3678.95   0.0000   0.0000 22455.06  3678.95  ?   ?   229.910   19.904 0.000000 19.90368 
1 1 1    7   31    3 o  224.190   19.763 21382.59  3560.81   0.0000   0.0000 21382.59  3560.81  ?   ?   224.190   19.763 0.000000 19.76337 
1 1 1    7   31    4 o  154.293   17.937 10129.59  2205.26 13895.92  4874.12  9160.16  2472.84  170.574   36.306  145.136   21.646 25.43877 42.26912 
1 1 1    7   31    5 o  298.480   18.549 37781.96  4473.16 39913.51  8468.62 36957.13  5268.01  289.747   36.828  292.400   22.358 -2.652985 43.08361 
1 1 1    7   31    6 o  270.070   18.034 30970.41  3932.00 29624.96  7558.96 31469.53  4603.90  245.549   39.233  270.043   21.166 -24.49438 44.57889 
1 1 1    7   31    7 o   68.322   20.797  2035.58  1257.07  3170.64  3838.17  1899.20  1330.45   90.814   35.648   66.690   21.555 24.12442 41.65796 
1 1 1    7   31    8 o  131.418   20.745  7617.25  2140.15 13764.02  5183.21  6353.92  2349.81  163.000   39.562  117.587   25.357 45.41371 46.99115 
1 1 1    7   31    9 o  171.233   19.409 12792.76  2650.86 12818.66  5355.35 12784.35  3050.83  153.098   41.873  169.025   22.812 -15.92676 47.68373 
1 1 1    7   31   10 o   60.911   11.327  1588.99  539.607 -2126.5669  3939.03  1660.05  544.743   64.674   30.230   62.330   11.174 2.344322 32.22920 
1 1 1    7   31   11 o   60.436   12.267  1581.35  581.390 -1584.1230  4983.54  1625.03  585.387   73.149   34.128   61.306   12.189 11.84347 36.23949 
1 1 1    7   31   12 o   33.996   13.084  343.295  509.128 -3301.6370  4258.97  396.137  512.805   62.109   29.726   35.028   13.214 27.08118 32.53049 
1 1 1    7   31   13 o   37.391   13.704  501.428  544.188  1097.84  5788.86  496.111  546.608   81.420   37.568   37.329   13.726 44.09076 39.99730 
1 1 1    7   31   14 o   65.886   13.682  1931.23  708.009   91.208  5293.78  1964.74  714.427   73.935   34.713   66.465   13.694 7.469704 37.31654 
1 1 1    7   31   15 o  150.735   12.797  9890.07  1551.39   0.0000   0.0000  9890.07  1551.39  ?   ?   150.735   12.797 0.000000 12.79655 
1 1 1    7   31   16 o   89.163   15.015  3656.79  1048.43   0.0000   0.0000  3656.79  1048.43  ?   ?    89.163   15.015 0.000000 15.01519 
1 1 1    7   31   17 f  175.225   14.355 14149.41  2024.51   0.0000   0.0000 14149.41  2024.51  ?   ?   175.225   14.355 0.000000 14.35538 
1 1 1    7   33    0 o  336.881   24.202 50057.23  6575.91   0.0000   0.0000 50057.23  6575.91  ?   ?   336.881   24.202 0.000000 24.20163 
1 1 1    7   33    1 o   68.896   25.390  1808.30  1871.63   0.0000   0.0000  1808.30  1871.63  ?   ?    68.896   25.390 0.000000 25.38975 
1 1 1    7   33    2 o   31.174   15.250 -2358.5120  1288.05   0.0000   0.0000 -2358.5120  1288.05  ?   ?    31.174   15.250 0.000000 15.25014 
1 1 1    7   33    3 o   65.605   23.265  1720.86  1552.94   0.0000   0.0000  1720.86  1552.94  ?   ?    65.605   23.265 0.000000 23.26480 
1 1 1    7   33    4 o   53.091   22.317  373.082  1631.75   0.0000   0.0000  373.082  1631.75  ?   ?    53.091   22.317 0.000000 22.31715 
1 1 1    7   33    5 o   71.702   24.621  2194.48  1730.83  1287.34  4850.26  2326.86  1852.82   85.151   37.166   73.702   25.464 11.44839 45.05228 
1 1 1    7   33    6 o   50.468   20.710  516.328  1358.13 -641.1932  4668.58  623.342  1419.52   75.977   34.558   52.296   21.283 23.68061 40.58569 
1 1 1    7   33    7 o  179.789   20.760 14317.69  2974.85 22029.43  6675.78 12406.88  3323.03  200.215   42.385  163.609   25.875 36.60648 49.65900 
1 1 1    7   33    8 o  190.752   22.010 16371.83  3346.42 15221.51  7127.71 16697.09  3790.10  151.494   49.946  189.897   25.203 -38.40332 55.94511 
1 1 1    7   33    9 o  134.791   25.462  8615.17  2684.57  8305.23  6858.37  8671.25  2917.35  114.288   46.677  133.403   27.833 -19.11455 54.34586 
1 1 1    7   33   10 o   74.638   9.9781  2355.55  589.572  2936.08  6376.39  2350.54  592.108   91.092   41.010   74.539   10.038 16.55279 42.22054 
1 1 1    7   33   11 o   28.284   11.061  213.256  368.416  274.934  6429.43  213.053  369.023   81.340   38.211   28.295   11.069 53.04521 39.78207 
1 1 1    7   33   12 o   69.908   11.796  2122.68  645.737  374.212  7032.53  2137.55  648.476   80.610   38.475   70.155   11.803 10.45570 40.24522 
1 1 1    7   33   13 o  119.514   12.223  6183.42  1169.42  9724.63  8019.81  6106.48  1182.05   98.522   44.998  118.621   12.459 -20.09976 46.69058 
1 1 1    7   33   14 o   32.362   13.458  183.542  583.912   0.0000   0.0000  183.542  583.912  ?   ?    32.362   13.458 0.000000 13.45772 
1 1 1    7   33   15 o   45.156   15.646  912.362  699.688   0.0000   0.0000  912.362  699.688  ?   ?    45.156   15.646 0.000000 15.64551 
1 1 1    7   33   16 o   28.589   13.179 -350.4361  709.847   0.0000   0.0000 -350.4361  709.847  ?   ?    28.589   13.179 0.000000 13.17874 
1 1 1    7   35    0 o   75.376   30.860  1814.14  3006.88   0.0000   0.0000  1814.14  3006.88  ?   ?    75.376   30.860 0.000000 30.85982 
1 1 1    7   35    1 o  122.422   39.493  8253.96  4467.78   0.0000   0.0000  8253.96  4467.78  ?   ?   122.422   39.493 0.000000 39.49287 
1 1 1    7   35    2 o   65.103   29.842 -1079.7140  3570.11   0.0000   0.0000 -1079.7140  3570.11  ?   ?    65.103   29.842 0.000000 29.84202 
1 1 1    7   35    3 o  143.700   27.852  9882.29  3132.42   0.0000   0.0000  9882.29  3132.42  ?   ?   143.700   27.852 0.000000 27.85192 
1 1 1    7   35    4 o  162.015   26.894 12436.47  3413.85   0.0000   0.0000 12436.47  3413.85  ?   ?   162.015   26.894 0.000000 26.89394 
1 1 1    7   35    5 o  149.558   28.643 10902.47  3351.67   0.0000   0.0000 10902.47  3351.67  ?   ?   149.558   28.643 0.000000 28.64328 
1 1 1    7   35    6 o   50.895   23.256 -823.3843  2145.53 -7985.6592  5687.90  364.775  2316.67   62.743   30.959   59.511   25.833 3.232723 40.32171 
1 1 1    7   35    7 o  234.768   23.614 25654.22  4440.31 30022.60  9501.81 24433.72  5022.45  196.694   56.506  223.077   28.370 -26.38248 63.22842 
1 1 1    7   35    8 o   75.765   28.534  2644.98  2388.91  5088.33  5858.56  2157.70  2616.30   95.877   41.350   72.791   29.152 23.08561 50.59295 
1 1 1    7   35    9 o   58.625   25.256  645.969  2180.76  3856.41  5726.47  101.399  2358.48   88.763   39.491   56.966   25.344 31.79720 46.92455 
1 1 1    7   35   10 o   72.646   28.649  2476.33  2489.96 -10178.2695  8524.07  3656.84  2603.51   68.954   34.624   82.412   30.009 -13.45870 45.81882 
1 1 1    7   35   11 o   83.151   10.678  2973.75  704.296 16710.68  9111.31  2891.18  706.409  112.497   49.943   81.880   10.896 30.61671 51.11797 
1 1 1    7   35   12 o   94.442   11.062  3868.26  832.182   0.0000   0.0000  3868.26  832.182  ?   ?    94.442   11.062 0.000000 11.06169 
1 1 1    7   35   13 o   38.719   13.550  629.733  525.461   0.0000   0.0000  629.733  525.461  ?   ?    38.719   13.550 0.000000 13.55025 
1 1 1    7   35   14 o   75.907   15.053  2751.23  894.977   0.0000   0.0000  2751.23  894.977  ?   ?    75.907   15.053 0.000000 15.05260 
1 1 1    7   37    0 o   85.586   30.473  3678.95  2666.80   0.0000   0.0000  3678.95  2666.80  ?   ?    85.586   30.473 0.000000 30.47253 
1 1 1    7   37    1 o  125.961   33.035  8570.37  3420.47   0.0000   0.0000  8570.37  3420.47  ?   ?   125.961   33.035 0.000000 33.03497 
1 1 1    7   37    2 o   72.073   29.473  1936.92  2738.68   0.0000   0.0000  1936.92  2738.68  ?   ?    72.073   29.473 0.000000 29.47301 
1 1 1    7   37    3 o   43.848   20.459 -1199.7570  1791.23   0.0000   0.0000 -1199.7570  1791.23  ?   ?    43.848   20.459 0.000000 20.45856 
1 1 1    7   37    4 o  143.178   52.708 17978.81  8062.86   0.0000   0.0000 17978.81  8062.86  ?   ?   143.178   52.708 0.000000 52.70787 
1 1 1    7   37    5 o   80.257   37.723  516.379  6280.40   0.0000   0.0000  516.379  6280.40  ?   ?    80.257   37.723 0.000000 37.72255 
1 1 1    7   37    6 o   67.775   32.449 -2074.0601  5085.04 -3117.4810  7778.75 -1295.4301  6719.63   76.543   37.451   76.375   36.757 0.1684647 52.47534 
1 1 1    7   37    7 o  129.880   56.962 25669.91 11515.36   0.0000   0.0000 25669.91 11515.36  ?   ?   129.880   56.962 0.000000 56.96182 
1 1 1    7   37    8 o   98.366   47.585 13135.81 11618.75   0.0000   0.0000 13135.81 11618.75  ?   ?    98.366   47.585 0.000000 47.58508 
1 1 1    7   37    9 o   74.442   37.580 -4563.8789 10794.00   0.0000   0.0000 -4563.8789 10794.00  ?   ?    74.442   37.580 0.000000 37.58045 
1 1 1    7   37   10 o   76.614   30.610  3690.47  2876.95   0.0000   0.0000  3690.47  2876.95  ?   ?    76.614   30.610 0.000000 30.60982 
1 1 1    7   37   11 o   55.551   11.695  1393.53  510.850   0.0000   0.0000  1393.53  510.850  ?   ?    55.551   11.695 0.000000 11.69548 
1 1 1    7   37   12 f   39.079   13.044  681.212  485.585   0.0000   0.0000  681.212  485.585  ?   ?    39.079   13.044 0.000000 13.04380 
1 1 1    7   39    0 o  141.704   37.498 12874.12  4381.62   0.0000   0.0000 12874.12  4381.62  ?   ?   141.704   37.498 0.000000 37.49821 
1 1 1    7   39    1 o   71.731   31.069  2059.95  3336.31   0.0000   0.0000  2059.95  3336.31  ?   ?    71.731   31.069 0.000000 31.06948 
1 1 1    7   39    2 o   69.215   30.354  1665.94  3269.54   0.0000   0.0000  1665.94  3269.54  ?   ?    69.215   30.354 0.000000 30.35397 
1 1 1    7   39    3 o   67.503   29.996  1379.34  3293.78   0.0000   0.0000  1379.34  3293.78  ?   ?    67.503   29.996 0.000000 29.99557 
1 1 1    7   39    4 o   95.962   36.163  6469.42  3838.38   0.0000   0.0000  6469.42  3838.38  ?   ?    95.962   36.163 0.000000 36.16286 
1 1 1    7   39    5 o   53.968   25.398 -929.7413  2862.45   0.0000   0.0000 -929.7413  2862.45  ?   ?    53.968   25.398 0.000000 25.39805 
1 1 1    7   39    6 o   42.807   20.822 -2551.3921  2305.75   0.0000   0.0000 -2551.3921  2305.75  ?   ?    42.807   20.822 0.000000 20.82235 
1 1 1    7   39    7 o  116.304   36.649 10235.95  3864.74   0.0000   0.0000 10235.95  3864.74  ?   ?   116.304   36.649 0.000000 36.64857 
1 1 1    7   39    8 o   71.458   30.829  3409.82  3258.85   0.0000   0.0000  3409.82  3258.85  ?   ?    71.458   30.829 0.000000 30.82915 
1 1 1    7   39    9 o   63.541   27.565  2358.41  2634.36   0.0000   0.0000  2358.41  2634.36  ?   ?    63.541   27.565 0.000000 27.56513 
1 1 1    7   39   10 o  126.570   12.266  7279.78  1244.74   0.0000   0.0000  7279.78  1244.74  ?   ?   126.570   12.266 0.000000 12.26567 
1 1 1    7   41    0 o   68.420   31.371  2605.80  3949.14   0.0000   0.0000  2605.80  3949.14  ?   ?    68.420   31.371 0.000000 31.37124 
1 1 1    7   41    1 o   51.289   24.624 -1255.6740  2973.77   0.0000   0.0000 -1255.6740  2973.77  ?   ?    51.289   24.624 0.000000 24.62421 
1 1 1    7   41    2 o   72.014   32.648  3698.73  4123.72   0.0000   0.0000  3698.73  4123.72  ?   ?    72.014   32.648 0.000000 32.64787 
1 1 1    7   41    3 o   49.088   24.234 -3242.8469  3501.61   0.0000   0.0000 -3242.8469  3501.61  ?   ?    49.088   24.234 0.000000 24.23440 
1 1 1    7   41    4 o   75.074   32.970  4824.68  3869.49   0.0000   0.0000  4824.68  3869.49  ?   ?    75.074   32.970 0.000000 32.97004 
1 1 1    7   41    5 f   66.551   30.838  3114.41  3961.93   0.0000   0.0000  3114.41  3961.93  ?   ?    66.551   30.838 0.000000 30.83790 
1 1 1    7   41    6 o   67.999   31.688  4181.27  4276.23   0.0000   0.0000  4181.27  4276.23  ?   ?    67.999   31.688 0.000000 31.68777 
1 1 1    8    0    0 o  295.293   22.318 36182.86  5280.96   0.0000   0.0000 36182.86  5280.96  295.293   22.318  295.293   22.318 0.000000 0.000000 
1 1 1    8    0    4 o  285.346   14.624 33369.01  3368.03 32100.37  4767.35 34633.16  4758.90  278.284   21.389  289.472   20.483 0.000000 0.000000 
1 1 1    8    0    5 o   73.117   6.6114  2223.70  385.125  2031.75  545.992  2413.77  543.317   68.395   10.587   75.442   9.2407 0.000000 0.000000 
1 1 1    8    0    6 o  619.013   30.066 157240.91 15030.42 157761.59 21258.21 156720.41 21254.23  616.633   42.936  614.521   43.083 0.000000 0.000000 
1 1 1    8    0    7 o  111.725   7.8061  5142.58  700.211  5361.92  990.977  4923.89  989.519  113.323   11.008  108.283   11.589 0.000000 0.000000 
1 1 1    8    0    8 o  774.329   37.381 246140.70 23377.63 281773.09 33063.56 210519.50 33058.36  825.607   49.735  709.501   58.289 0.000000 0.000000 
1 1 1    8    0    9 o  171.613   10.110 12084.34  1397.59 14583.98  1989.93  9651.11  1963.32  188.112   13.177  151.503   16.452 0.000000 0.000000 
1 1 1    8    0   10 o  1165.12   56.332 561645.38 53008.76 643422.38 74969.58 479885.31 74961.84  1239.01   75.153  1061.10   88.418 0.000000 0.000000 
1 1 1    8    0   11 o  400.579   19.991 65787.82  6465.35 71787.44  9152.80 59812.82  9134.00  416.921   27.306  379.286   30.095 0.000000 0.000000 
1 1 1    8    0   12 o  487.396   34.772 98932.18 13600.19 98932.18 13600.19   0.0000   0.0000  487.396   34.772  487.396   34.772 0.000000 0.000000 
1 1 1    8    0   13 f   57.252   12.204  1499.96  498.534  1449.90  779.019  1534.69  648.782   51.070   19.768   55.245   16.596 0.000000 0.000000 
1 1 1    8    0   14 o  103.909   9.5747  4498.91  792.054  5520.49  1183.90  3671.18  1065.67  114.257   13.222   91.136   15.833 0.000000 0.000000 
1 1 1    8    0   15 o  134.271   10.055  7452.44  1082.09  6648.19  1599.82  8130.67  1469.14  124.518   16.660  139.489   13.246 0.000000 0.000000 
1 1 1    8    0   16 o  248.357   13.833 25357.74  2769.83 24216.76  3964.25 26446.03  3871.65  240.749   20.628  252.276   19.155 0.000000 0.000000 
1 1 1    8    0   17 o  149.910   10.607  9281.71  1276.24 10309.85  1875.70  8395.41  1741.52  156.865   15.044  140.885   15.725 0.000000 0.000000 
1 1 1    8    0   18 o  133.455   10.830  7397.03  1155.78  7389.67  1781.09  7402.38  1519.05  130.944   17.655  132.282   14.596 0.000000 0.000000 
1 1 1    8    0   19 o  144.094   11.874  8652.51  1367.55  8437.69  2344.32  8763.33  1683.71  137.466   22.918  144.027   14.752 0.000000 0.000000 
1 1 1    8    0   20 o   37.560   17.837  854.866  619.397  1317.20  1449.59  751.599  685.088   47.080   26.003   35.259   18.362 0.000000 0.000000 
1 1 1    8    0   21 o  355.548   18.518 53164.78  5312.96 62624.27  7774.95 44878.04  7277.05  380.526   25.424  318.602   28.663 0.000000 0.000000 
1 1 1    8    0   22 o  104.024   14.456  4726.47  1153.64  4731.46  2383.38  4724.94  1318.37   88.542   34.655  102.489   17.330 0.000000 0.000000 
1 1 1    8    0   23 o   65.254   20.052  2225.73  929.083  2083.35  1997.37  2265.04  1049.54   55.811   30.632   63.978   22.333 0.000000 0.000000 
1 1 1    8    0   24 o   52.339   21.890  1663.58  932.119  1131.12  2559.57  1744.99  1000.84   48.655   30.656   53.231   22.721 0.000000 0.000000 
1 1 1    8    0   25 o  114.903   17.643  6085.06  1530.69   0.0000   0.0000  6085.06  1530.69  114.903   17.643  114.903   17.643 0.000000 0.000000 
1 1 1    8    0   26 o   18.629   13.391 -1485.2650  983.422   0.0000   0.0000 -1485.2650  983.422   18.629   13.391   18.629   13.391 0.000000 0.000000 
1 1 1    8    2    1 o  599.693   42.703 151967.00 20657.76   0.0000   0.0000 151967.00 20657.76  ?   ?   599.693   42.703 0.000000 42.70340 
1 1 1    8    2    3 o  500.542   17.091 102232.40  6946.21 105445.50  9830.80 99028.96  9816.07  507.131   23.874  490.686   24.717 16.44461 34.36422 
1 1 1    8    2    4 o  828.416   28.090 281765.09 18894.61 285818.41 26727.72 277715.91 26714.32  829.753   39.671  817.648   40.238 12.10516 56.50589 
1 1 1    8    2    5 o  370.387   12.927 55793.42  3887.63 55089.57  5505.30 56493.53  5490.60  367.242   18.522  372.386   18.159 -5.143738 25.93867 
1 1 1    8    2    6 o  116.708   5.5006  5531.17  521.260  5275.60  741.979  5780.21  732.458  113.677   8.0914  119.051   7.6172 -5.373322 11.11272 
1 1 1    8    2    7 o  644.272   21.829 169050.30 11419.12 171913.09 16155.17 166191.80 16143.00  648.711   30.671  637.760   31.174 10.95142 43.73198 
1 1 1    8    2    8 f  955.876   37.218 373962.31 28886.29 351199.59 50037.22 385340.41 35376.67  915.514   67.793  968.511   44.986 -52.99695 81.36134 
1 1 1    8    2    9 o  179.469   7.2818 13080.58  1061.13 12803.90  1505.82 13353.52  1495.57  177.219   10.512  181.016   10.217 -3.796585 14.65892 
1 1 1    8    2   10 o  534.617   18.196 116333.40  7898.70 119128.80 11175.08 113542.70 11165.82  540.341   25.471  527.457   26.071 12.88373 36.44841 
1 1 1    8    2   11 o  567.464   19.243 131327.00  8866.48 135150.09 12543.19 127508.80 12535.02  574.428   26.893  557.808   27.676 16.62006 38.58981 
1 1 1    8    2   12 o  434.317   21.532 77216.95  7593.34 72746.48 10746.84 81673.76 10730.40  418.365   31.876  444.016   29.938 -25.65088 43.73074 
1 1 1    8    2   13 o  372.087   13.137 56414.55  3968.95 58173.57  5615.10 54658.23  5610.79  377.189   18.334  365.038   18.996 12.15131 26.40019 
1 1 1    8    2   14 o  249.222   9.5059 25272.94  1923.61 25480.05  2727.61 25068.00  2713.24  249.597   13.509  247.559   13.549 2.037567 19.13325 
1 1 1    8    2   15 o  399.148   14.106 65060.52  4571.83 65989.32  6464.12 64130.89  6466.95  400.840   19.861  394.567   20.254 6.272888 28.36677 
1 1 1    8    2   16 o  454.402   16.042 84591.09  5918.83 90708.06  8372.96 78481.35  8368.01  468.686   22.002  434.728   23.797 33.95813 32.40936 
1 1 1    8    2   17 f  473.208   16.676 92009.47  6407.23 93811.02  9062.03 90208.61  9060.34  475.032   23.494  464.977   24.081 10.05536 33.64312 
1 1 1    8    2   18 o  194.733   8.3142 15459.50  1314.61 15381.63  1845.68 15539.69  1872.89  193.483   11.805  194.456   11.919 -0.9727325 16.77569 
1 1 1    8    2   19 o  304.962   11.436 38215.57  2831.81 37863.23  3997.99 38570.31  4011.61  301.235   16.407  304.093   16.306 -2.858124 23.13226 
1 1 1    8    2   20 o  246.586   9.9215 25000.25  1986.47 23926.65  2803.30 26083.09  2815.33  239.126   14.506  249.991   13.925 -10.86542 20.10826 
1 1 1    8    2   21 o   29.351   11.830  168.987  433.903  674.737  624.065 -304.2984  603.704   42.162   14.766   27.751   12.544 14.41079 19.37537 
1 1 1    8    2   22 o  182.998   9.4748 13892.39  1403.03 14330.39  1970.37 13441.90  1998.29  184.005   13.277  177.805   13.953 6.200256 19.26085 
1 1 1    8    2   23 o   92.179   10.314  3591.70  758.767  4245.93  1062.75  2911.45  1083.67   98.979   13.582   80.168   17.166 18.81037 21.88879 
1 1 1    8    2   24 o   93.246   11.688  3757.80  865.509  2822.57  1174.64  4868.65  1280.19   77.027   18.919  104.026   15.640 -26.99892 24.54664 
1 1 1    8    2   25 o   71.933   14.550  2394.62  820.653  2600.80  1043.54  2060.42  1328.56   72.976   17.776   63.295   21.573 9.680988 27.95329 
1 1 1    8    2   26 o   77.405   14.534  2870.28  879.898  2512.34  1125.61  3432.66  1410.89   68.089   19.413   77.570   21.602 -9.481133 29.04299 
1 1 1    8    4    1 o  577.195   28.260 137297.20 13244.63 133243.30 18729.09 141352.50 18732.39  562.524   41.294  580.092   40.015 -17.56787 57.50093 
1 1 1    8    4    2 o  438.920   14.618 78510.41  5209.80 80905.80  7362.94 76108.73  7372.61  444.771   20.388  431.279   21.054 13.49213 29.30745 
1 1 1    8    4    3 o  387.612   13.515 61166.21  4253.41 62413.31  6015.43 59919.26  6015.04  391.019   18.947  382.590   19.426 8.429352 27.13594 
1 1 1    8    4    4 o  961.726   46.341 385416.31 36187.46 414338.81 51209.10 356566.69 51144.58  983.624   64.475  908.075   69.902 75.54889 95.09626 
1 1 1    8    4    5 o  155.321   6.4482  9797.91  813.212  9267.75  1153.68 10321.46  1146.46  150.730   9.4747  159.140   8.9082 -8.410370 13.00483 
1 1 1    8    4    6 o  410.936   14.259 68660.75  4757.71 66237.67  6732.85 71077.49  6724.01  402.765   20.657  417.815   19.820 -15.04977 28.62795 
1 1 1    8    4    7 o  660.526   22.192 177684.50 11901.94 185643.20 16837.24 169735.91 16826.53  674.185   30.758  644.474   32.155 29.71100 44.49706 
1 1 1    8    4    8 o  222.823   8.4918 20165.59  1536.39 20761.41  2177.42 19574.82  2168.17  225.731   11.922  219.145   12.234 6.586060 17.08227 
1 1 1    8    4    9 o  946.300   31.468 365812.81 24178.97 376300.09 34201.88 355335.00 34186.58  956.944   44.017  929.576   45.293 27.36804 63.15860 
1 1 1    8    4   10 o  332.908   11.724 45046.73  3169.11 46883.02  4489.92 43223.68  4473.71  339.441   16.291  325.453   16.988 13.98874 23.53689 
1 1 1    8    4   11 o  394.874   13.653 63461.15  4377.38 60329.39  6194.09 66585.76  6187.02  383.956   19.937  404.021   18.860 -20.06430 27.44395 
1 1 1    8    4   12 o  632.279   25.044 164214.59 12857.09 163905.50 22312.42 164368.30 15731.41  622.547   44.432  630.724   30.718 -8.177490 54.01669 
1 1 1    8    4   13 o  351.564   12.500 50349.62  3568.12 50692.45  5052.22 50008.45  5039.97  351.712   17.748  349.310   17.829 2.401978 25.15709 
1 1 1    8    4   14 o  460.529   16.235 86682.62  6070.68 87538.47  8588.93 85828.24  8581.55  461.267   22.932  456.089   23.250 5.177734 32.65656 
1 1 1    8    4   15 o   77.217   7.3299  2446.35  454.059  1713.95  607.411  3373.99  683.591   63.781   12.173   90.554   9.4358 -26.77282 15.40170 
1 1 1    8    4   16 o  202.837   8.4378 16746.41  1389.68 15989.98  1951.57 17524.53  1979.34  197.550   12.227  206.905   11.831 -9.354752 17.01354 
1 1 1    8    4   17 o  207.643   8.7604 17564.79  1477.00 18572.42  2085.94 16551.63  2091.66  212.843   12.120  200.757   12.900 12.08551 17.70035 
1 1 1    8    4   18 o  272.628   10.698 30395.30  2368.12 30968.49  3349.31 29822.31  3348.73  273.800   15.124  268.578   15.420 5.221497 21.59929 
1 1 1    8    4   19 o  181.143   8.5641 13416.47  1259.63 13964.36  1792.67 12882.15  1770.32  183.783   12.080  176.390   12.440 7.392990 17.34067 
1 1 1    8    4   20 o  186.155   8.8594 14216.22  1339.11 13597.31  1897.60 14830.18  1890.01  180.537   13.033  188.818   12.397 -8.281036 17.98667 
1 1 1    8    4   21 o  117.747   8.6781  5731.35  823.839  5412.78  1095.38  6146.23  1250.05  113.458   12.076  120.675   12.961 -7.216789 17.71455 
1 1 1    8    4   22 o  190.818   9.6540 15121.88  1490.91 14892.58  2079.08 15364.61  2139.12  187.212   13.774  190.057   13.959 -2.844345 19.61084 
1 1 1    8    4   23 o   86.853   10.900  3210.49  751.756  3323.30  972.277  3042.80  1185.41   87.043   14.250   81.359   18.378 5.684448 23.25552 
1 1 1    8    4   24 o   38.164   14.185  529.687  586.594  853.933  725.604 -81.9671  996.587   45.313   15.919   37.726   16.644 7.587147 23.03161 
1 1 1    8    4   25 o   57.982   15.894  1605.52  770.559  823.422  922.144  3415.34  1402.77   45.600   17.592   80.953   21.119 -35.35374 27.48613 
1 1 1    8    4   26 o   53.284   14.989  1401.11  675.716  1030.07  833.351  2113.26  1154.54   46.418   16.967   61.575   20.092 -15.15741 26.29759 
1 1 1    8    6    1 o  148.228   9.5616  8970.20  1144.66  9160.84  1618.41  8779.38  1619.17  149.394   13.487  146.187   13.804 3.207306 19.29952 
1 1 1    8    6    3 o  657.186   24.916 176661.41 13295.64 181890.50 23099.70 174070.91 16258.85  660.558   43.308  651.078   30.755 9.479919 53.11743 
1 1 1    8    6    4 o  650.304   21.019 172415.91 11098.31 175766.30 15694.32 169064.70 15696.43  655.252   29.498  642.532   30.086 12.72009 42.13463 
1 1 1    8    6    5 o  575.807   18.898 134980.20  8835.65 137953.91 12495.52 132006.50 12495.48  581.338   26.472  568.599   27.065 12.73926 37.85872 
1 1 1    8    6    6 o  508.336   17.779 105130.90  7338.29 106530.60 10379.25 103731.80 10376.57  511.179   25.007  503.747   25.451 7.431824 35.68060 
1 1 1    8    6    7 o  971.664   37.852 386600.31 29863.32 381511.91 51690.84 389149.50 36586.97  954.395   67.131  972.800   46.320 -18.40491 81.56002 
1 1 1    8    6    8 o  1304.72   43.848 698910.00 46452.70 698741.50 65700.01 699078.62 65688.08  1297.17   62.378  1297.50   62.351 -0.3251953 88.19636 
1 1 1    8    6    9 o  885.122   29.678 319996.50 21329.31 310841.09 30169.63 329145.31 30158.79  869.556   42.730  895.109   41.495 -25.55322 59.56282 
1 1 1    8    6   10 o  257.823   9.5655 27011.90  2002.47 27540.17  2840.84 26490.21  2823.09  259.863   13.510  254.831   13.694 5.031479 19.23674 
1 1 1    8    6   11 o  514.487   20.545 108159.60  8582.57 104208.00 10512.67 116057.30 14862.06  503.427   25.805  528.683   34.816 -25.25574 43.33662 
1 1 1    8    6   12 o  433.657   17.346 76805.07  6107.86 84306.78 10649.17 73127.50  7456.17  450.984   29.239  421.865   21.842 29.11819 36.49659 
1 1 1    8    6   13 o  217.877   8.5542 19304.29  1513.31 18996.57  2148.84 19607.08  2131.54  215.591   12.327  219.073   12.029 -3.481812 17.22330 
1 1 1    8    6   14 o  467.237   16.501 89274.43  6260.31 93972.42  8862.04 84594.70  8844.81  477.797   22.843  452.348   24.169 25.44897 33.25541 
1 1 1    8    6   15 o  220.231   8.7642 19738.77  1567.22 19391.89  2218.35 20084.41  2214.43  217.646   12.607  221.545   12.359 -3.899170 17.65460 
1 1 1    8    6   16 o  577.793   19.969 137585.70  9368.35 134856.50 13258.10 140307.30 13239.61  566.762   28.906  579.234   28.150 -12.47144 40.34843 
1 1 1    8    6   17 o  391.306   13.951 62745.77  4432.47 63697.25  6279.50 61800.94  6257.49  391.956   19.795  385.966   20.036 5.990204 28.16526 
1 1 1    8    6   18 o   78.588   8.3905  2547.99  527.131  2390.99  739.908  2709.82  751.172   75.356   12.533   80.470   11.851 -5.113388 17.24904 
1 1 1    8    6   19 o  141.966   8.1478  8265.70  935.276  7408.60  1284.73  9232.12  1364.20  133.577   11.972  149.385   11.331 -15.80814 16.48432 
1 1 1    8    6   20 o  249.259   9.9467 25573.70  2013.12 25926.65  2864.09 25229.05  2830.19  248.825   14.235  245.429   14.264 3.395889 20.15160 
1 1 1    8    6   21 o  113.510   8.9777  5338.35  820.692  5370.72  1037.11  5284.10  1342.33  113.154   11.445  110.857   15.322 2.296585 19.12513 
1 1 1    8    6   22 o  181.206   9.4941 13641.81  1392.04 13989.41  1935.07 13269.00  2004.03  181.594   13.214  176.301   14.118 5.292282 19.33735 
1 1 1    8    6   23 o  105.989   10.342  4746.71  878.701  5009.15  1104.54  4294.31  1450.22  107.784   12.876   96.386   19.205 11.39861 23.12146 
1 1 1    8    6   24 o   81.429   11.726  2889.02  752.948  2781.14  963.458  3058.27  1206.84   77.840   15.784   79.872   18.903 -2.032166 24.62624 
1 1 1    8    6   25 o   39.406   18.299 -573.6552  1406.11   0.0000   0.0000 -573.6552  1406.11  ?   ?    39.406   18.299 0.000000 18.29893 
1 1 1    8    8    0 o  654.969   22.417 175211.70 11921.70 176710.41 16872.68 173717.50 16847.00  655.805   31.686  650.172   31.912 5.632813 44.97115 
1 1 1    8    8    1 o  163.853   10.246 10955.38  1356.34 11582.87  1924.71 10336.37  1911.67  168.117   14.234  158.653   15.018 9.463654 20.69172 
1 1 1    8    8    2 o  937.598   45.516 364478.91 34651.21 360929.50 49018.03 368024.31 48990.40  920.479   66.023  930.002   65.290 -9.523010 92.85440 
1 1 1    8    8    3 o  720.864   34.889 213248.09 20420.87 210231.70 28895.03 216257.91 28863.94  709.955   50.453  720.404   49.648 -10.44879 70.78465 
1 1 1    8    8    4 o  959.357   37.070 377606.41 28876.67 379242.69 50105.16 376792.69 35335.11  948.963   65.427  955.782   45.531 -6.819458 79.71055 
1 1 1    8    8    5 o  641.900   26.040 168046.59 13572.21 147680.91 23592.86 178119.91 16592.65  596.346   49.162  660.237   30.951 -63.89117 58.09398 
1 1 1    8    8    6 o  1057.40   50.392 460931.50 43264.85   0.0000   0.0000 460931.50 43264.85  ?   ?   1057.40   50.392 0.000000 50.39154 
1 1 1    8    8    7 f  739.276   23.700 222606.00 14226.43 235482.30 20119.03 209729.30 20119.38  759.251   32.635  716.260   34.594 42.99091 47.55852 
1 1 1    8    8    8 o  644.593   23.755 169292.20 12433.18 177217.41 15225.60 153430.00 21540.18  658.997   28.455  609.525   43.815 49.47137 52.24419 
1 1 1    8    8    9 o  1051.90   34.691 453738.31 29630.27 442283.00 41906.14 465190.69 41900.93  1033.03   49.960  1059.99   48.684 -26.96130 69.75771 
1 1 1    8    8   10 o  582.852   19.725 138603.30  9335.04 130363.10 13206.26 146832.20 13197.24  562.930   28.991  598.584   27.153 -35.65417 39.72124 
1 1 1    8    8   11 o  117.222   6.0951  5597.38  578.129  5375.97  809.463  5827.93  825.982  114.661   8.7608  119.427   8.5749 -4.766586 12.25888 
1 1 1    8    8   12 o  401.041   16.380 65664.46  5333.80 63582.16  9336.43 66673.32  6498.70  391.091   29.621  403.582   19.832 -12.49139 35.64679 
1 1 1    8    8   13 o  474.838   16.223 92121.34  6254.83 89905.86  8851.93 94330.55  8839.42  467.517   23.319  479.039   22.726 -11.52264 32.56084 
1 1 1    8    8   14 o  381.499   13.459 59391.72  4169.23 57844.54  5903.10 60931.67  5889.29  374.965   19.456  385.473   18.816 -10.50708 27.06603 
1 1 1    8    8   15 o  521.652   18.149 111703.30  7687.47 113863.80 10879.85 109549.20 10863.62  523.843   25.579  512.948   26.170 10.89551 36.59471 
1 1 1    8    8   16 o  277.423   10.328 31380.79  2326.45 31553.25  3295.56 31209.47  3284.65  277.197   14.695  275.671   14.728 1.525360 20.80468 
1 1 1    8    8   17 o  313.689   11.700 40239.67  2980.03 42557.60  4223.53 37941.69  4205.33  321.128   16.251  302.879   17.170 18.24945 23.64137 
1 1 1    8    8   18 o  209.392   8.9449 17913.58  1520.80 19406.70  2190.07 16523.12  2113.44  216.949   12.485  199.972   13.088 16.97708 18.08834 
1 1 1    8    8   19 f  183.205   8.6607 13743.90  1288.33 14244.29  1805.78 13225.14  1838.63  185.396   12.061  178.390   12.778 7.006775 17.57153 
1 1 1    8    8   20 o   78.754   8.8012  2577.71  553.175  2321.73  705.912  2985.03  890.455   73.895   12.190   83.616   13.582 -9.721039 18.25003 
1 1 1    8    8   21 o  168.378   8.5429 11699.43  1164.13 10380.45  1594.25 13206.04  1703.88  157.072   12.607  177.607   11.884 -20.53488 17.32478 
1 1 1    8    8   22 o   64.886   11.029  1804.40  560.258  1972.83  669.874  1412.34  1022.04   67.399   12.707   57.136   18.917 10.26389 22.78818 
1 1 1    8    8   23 o  136.417   12.890  8014.77  1410.88 10775.45  3397.18  7439.36  1550.96  142.007   30.381  130.129   14.950 11.87720 33.86040 
1 1 1    8    8   24 o   43.685   18.401  397.483  1112.95   0.0000   0.0000  397.483  1112.95  ?   ?    43.685   18.401 0.000000 18.40066 
1 1 1    8    8   25 f   33.151   12.979  356.133  507.702  844.729  553.802 -2217.5171  1271.02   43.056   13.906   29.632   14.624 13.42330 20.18002 
1 1 1    8   10    0 o  331.078   13.891 44572.07  3734.27 50357.70  6495.99 41716.50  4563.71  350.688   22.940  319.657   17.652 31.03098 28.94482 
1 1 1    8   10    1 o  666.000   26.215 181071.70 14176.24 184813.50 24542.19 179198.09 17366.45  667.682   45.541  661.599   32.328 6.082947 55.84894 
1 1 1    8   10    2 o  335.853   17.299 46019.30  4701.45 46060.68  6658.30 45978.15  6639.44  335.163   24.639  334.868   24.591 0.2950134 34.81063 
1 1 1    8   10    3 o  488.831   24.078 97406.65  9557.07 94859.41 13540.63 99935.23 13490.98  480.078   34.977  493.017   33.907 -12.93906 48.71450 
1 1 1    8   10    4 o  704.433   34.057 202974.00 19479.66 200123.50 27570.65 205815.41 27526.20  695.010   49.173  705.096   48.372 -10.08618 68.97730 
1 1 1    8   10    5 o  279.416   13.776 31732.60  3125.41   0.0000   0.0000 31732.60  3125.41  ?   ?   279.416   13.776 0.000000 13.77583 
1 1 1    8   10    6 o  1208.83   47.988 601201.38 47101.34 594248.19 81694.23 604663.69 57647.53  1182.15   85.692  1208.33   58.757 -26.17725 103.9012 
1 1 1    8   10    7 o  628.669   24.457 161058.09 12484.42 181171.09 21736.00 151156.30 15250.96  663.401   40.547  607.568   31.018 55.83240 51.05045 
1 1 1    8   10    8 o  170.650   8.9690 11862.87  1238.40  6898.93  2056.61 14686.57  1551.13  128.586   20.377  189.854   10.098 -61.26813 22.74242 
1 1 1    8   10    9 o  343.367   12.288 47948.50  3425.98 47946.70  4847.53 47950.29  4842.59  342.617   17.483  342.632   17.464 -0.1513672E-01 24.71172 
1 1 1    8   10   10 f  164.066   7.8684 10939.05  1048.19 10555.65  1286.78 11695.18  1807.08  160.814   9.9028  168.967   13.279 -8.152603 16.56458 
1 1 1    8   10   11 o  245.878   9.2139 24585.87  1839.52 22620.78  2600.81 26552.95  2602.12  235.214   13.677  255.340   12.551 -20.12608 18.56284 
1 1 1    8   10   12 o  352.355   12.815 50592.47  3666.39 50577.73  5190.47 50607.16  5179.67  351.167   18.267  351.278   18.222 -0.1117554 25.80165 
1 1 1    8   10   13 o  114.172   6.3120  5313.78  582.874  6118.49  824.224  4508.75  824.392  122.368   8.3452  104.797   9.8021 17.57150 12.87341 
1 1 1    8   10   14 o  239.885   9.4689 23426.77  1844.35 22719.02  2614.73 24127.60  2601.92  235.482   13.735  242.771   13.250 -7.289078 19.08389 
1 1 1    8   10   15 f  291.823   10.334 34708.52  2448.66 33972.36  3474.40 35435.03  3451.56  287.730   14.923  294.317   14.443 -6.587646 20.76762 
1 1 1    8   10   16 o  278.701   10.392 31686.75  2351.62 31839.32  3334.66 31535.82  3316.81  278.301   14.810  276.970   14.802 1.330780 20.93919 
1 1 1    8   10   17 o  385.980   13.939 61208.28  4368.68 68856.34  6206.87 53699.71  6150.01  407.432   18.762  358.164   21.242 49.26752 28.34153 
1 1 1    8   10   18 o  165.360   7.7021 11162.16  1034.13 11247.22  1477.36 11080.44  1448.05  165.149   11.081  163.947   10.941 1.202362 15.57231 
1 1 1    8   10   19 o  223.046   9.4246 20425.87  1706.85 20187.64  2405.88 20667.28  2421.90  220.056   13.530  222.695   13.457 -2.638489 19.08318 
1 1 1    8   10   20 o  195.989   9.1964 15809.62  1463.49 16382.11  2065.97 15233.00  2073.42  197.809   12.934  190.461   13.495 7.347855 18.69228 
1 1 1    8   10   21 o   76.995   15.816  2611.92  955.712  2348.78  2531.18  2655.67  1032.11   75.966   29.189   77.284   16.917 -1.318146 33.73643 
1 1 1    8   10   22 o   83.827   14.950  3095.95  980.229  3082.36  2463.48  3098.51  1068.45   80.046   29.185   83.247   16.390 -3.201607 33.47208 
1 1 1    8   10   23 o   52.535   12.634  1226.57  532.334  1396.76  588.429  459.409  1249.28   55.952   13.171   46.758   19.585 9.193363 23.60139 
1 1 1    8   10   24 o   37.059   13.948  499.415  570.637  836.866  642.180 -766.9883  1244.05   43.906   14.999   36.458   17.024 7.448128 22.68840 
1 1 1    8   10   25 o   92.083   11.050  3765.81  809.704  3612.43  931.280  4240.88  1639.03   88.481   13.380   86.170   22.997 2.311378 26.60661 
1 1 1    8   12    0 o  949.735   45.825 371297.50 35338.35   0.0000   0.0000 371297.50 35338.35  ?   ?   949.735   45.825 0.000000 45.82529 
1 1 1    8   12    1 o  1188.87   46.775 581968.38 45153.09 626588.12 78205.74 559657.12 55301.61  1215.24   79.699  1159.71   58.922 55.52698 99.11452 
1 1 1    8   12    2 o  748.667   36.114 229425.70 21953.70 241694.80 31062.77 217181.09 31031.70  763.913   50.362  723.121   53.226 40.79205 73.27527 
1 1 1    8   12    3 o  665.108   46.324 182762.59 24860.63   0.0000   0.0000 182762.59 24860.63  ?   ?   665.108   46.324 0.000000 46.32351 
1 1 1    8   12    4 o  401.313   20.000 65537.34  6517.17 72148.16  9256.50 59039.08  9177.36  419.768   27.307  379.173   30.055 40.59506 40.60716 
1 1 1    8   12    5 f  1136.11   47.123 530938.50 43469.88 516686.00 75427.64 538026.38 53191.76  1101.87   84.963  1138.59   57.725 -36.71680 102.7170 
1 1 1    8   12    6 o  1286.21   50.613 682897.38 52858.46 735588.50 91697.79 656675.88 64687.31  1311.81   86.576  1253.74   63.754 58.06799 107.5176 
1 1 1    8   12    7 o  1011.04   47.970 422722.00 39380.45 471001.09 55759.19 374673.81 55625.79  1057.24   65.273  937.817   73.642 119.4214 98.40607 
1 1 1    8   12    8 o  451.712   18.314 83154.16  6717.20 86805.48 11786.69 81397.84  8174.60  458.700   31.844  445.903   22.653 12.79639 39.07890 
1 1 1    8   12    9 o  439.888   21.624 79135.49  7723.45 82070.88 11058.08 76339.66 10792.00  445.301   30.772  429.288   31.174 16.01236 43.80334 
1 1 1    8   12   10 o  207.121   10.148 17451.28  1706.69 12713.47  3119.33 19475.54  2038.94  174.699   22.514  218.437   11.537 -43.73773 25.29802 
1 1 1    8   12   11 o  211.581   10.244 18216.20  1759.83 14101.53  3201.02 19998.58  2106.79  184.163   21.832  221.299   11.767 -37.13565 24.80090 
1 1 1    8   12   12 o  252.419   9.6409 25927.45  1975.96 25628.47  2796.01 26225.76  2792.85  250.278   13.812  253.211   13.634 -2.933014 19.40791 
1 1 1    8   12   13 f  269.315   9.5595 29524.10  2090.43 28247.32  2963.72 30788.20  2948.97  262.672   13.946  274.688   13.222 -12.01663 19.21723 
1 1 1    8   12   14 o  451.535   15.913 83485.23  5834.18 83216.30  8264.59 83752.34  8237.02  448.259   22.782  449.764   22.627 -1.505188 32.10929 
1 1 1    8   12   15 o  110.570   6.7786  4991.25  605.637  4799.12  843.470  5195.71  870.153  108.088   9.7145  112.511   9.6173 -4.423729 13.66981 
1 1 1    8   12   16 o  240.825   9.7458 23661.65  1905.72 25463.77  2710.45 21899.81  2679.99  248.921   13.460  230.587   14.386 18.33395 19.70107 
1 1 1    8   12   17 o  120.733   7.2604  5962.63  708.436  5557.72  990.531  6386.65  1013.63  116.034   10.632  124.543   10.111 -8.509651 14.67178 
1 1 1    8   12   18 o  102.405   7.4825  4305.79  617.857  4675.42  873.982  3936.50  873.581  106.231   10.260   97.174   11.282 9.056458 15.24942 
1 1 1    8   12   19 o  224.055   12.093 20860.13  2191.82 19075.63  4224.71 21517.35  2563.87  206.096   25.812  226.690   13.998 -20.59427 29.36304 
1 1 1    8   12   20 o  127.573   11.570  6817.42  1185.40  5097.18  2958.04  7146.53  1293.83  101.658   32.066  130.356   12.372 -28.69864 34.36972 
1 1 1    8   12   21 o  218.638   11.343 20022.66  2006.80 18795.77  2467.11 22421.93  3450.03  209.730   14.578  225.309   19.037 -15.57910 23.97722 
1 1 1    8   12   22 o  197.684   11.224 16496.19  1794.14 16272.61  2196.74 16944.12  3109.34  194.282   14.020  192.459   20.198 1.822815 24.58704 
1 1 1    8   12   23 o   60.716   11.047  1609.44  524.563  1571.66  606.159  1722.14  1046.82   59.300   12.952   60.457   19.076 -1.157677 23.05740 
1 1 1    8   12   24 o  136.133   9.4952  7922.37  1042.98  6858.14  1374.30  9367.86  1601.67  123.079   14.001  144.152   13.855 -21.07370 19.69719 
1 1 1    8   12   25 o   86.034   12.204  3387.26  828.644  3387.26  828.644   0.0000   0.0000   86.034   12.204  ?   ?  0.000000 12.20421 
1 1 1    8   14    0 o  1263.65   61.211 662674.38 62805.11   0.0000   0.0000 662674.38 62805.11  ?   ?   1263.65   61.211 0.000000 61.21116 
1 1 1    8   14    1 o  1599.05   63.205 1062557.00 82064.12 1059278.00 142146.41 1064196.00 100505.10  1554.16  113.426  1590.87   77.806 -36.71008 137.5472 
1 1 1    8   14    2 o  656.027   26.249 175438.41 13981.85 193967.59 24191.67 166144.41 17133.27  685.997   43.659  636.779   33.252 49.21875 54.87980 
1 1 1    8   14    3 o  653.662   31.727 174532.09 16838.98 178051.70 23847.74 171032.50 23780.23  656.714   44.994  643.385   45.820 13.32922 64.21802 
1 1 1    8   14    4 o  379.952   19.334 58903.41  5945.03 63275.27  8456.50 54631.36  8359.43  392.984   26.660  364.780   28.448 28.20352 38.98762 
1 1 1    8   14    5 o  488.994   23.923 97491.82  9498.73 108021.90 13489.31 87134.98 13377.86  512.787   32.567  459.664   36.135 53.12366 48.64457 
1 1 1    8   14    6 o  629.419   30.288 162229.41 15479.13 178999.00 21952.45 145646.70 21829.65  657.494   41.330  591.464   45.812 66.02972 61.70053 
1 1 1    8   14    7 o  873.132   35.254 314343.50 24993.67 301795.00 43471.03 320540.00 30547.57  838.555   64.336  878.487   42.826 -39.93134 77.28614 
1 1 1    8   14    8 o  371.154   20.711 56491.02  6216.63 44062.90  8993.36 67863.39  8602.90  324.531   34.666  405.745   26.254 -81.21417 43.48513 
1 1 1    8   14    9 o  561.350   21.245 129064.90  9683.54 151991.91 16967.88 117990.90 11792.52  603.816   34.755  534.549   27.260 69.26678 44.17060 
1 1 1    8   14   10 o  231.055   11.175 21732.95  2096.60 16137.06  3844.61 24101.50  2501.26  196.603   24.624  242.893   12.727 -46.28972 27.71833 
1 1 1    8   14   11 o  639.907   25.856 168969.80 13434.28 161938.00 23484.08 172390.30 16379.02  613.260   47.533  643.925   31.327 -30.66534 56.92773 
1 1 1    8   14   12 o  347.631   13.985 49331.67  3947.55 60893.20  7089.22 44135.66  4752.54  383.827   22.850  327.763   17.926 56.06403 29.04259 
1 1 1    8   14   13 o  170.200   9.4436 11830.80  1299.96  8852.09  2510.42 12922.16  1519.56  144.958   22.021  177.773   10.575 -32.81421 24.42898 
1 1 1    8   14   14 o  203.091   10.087 16810.07  1663.45 18306.36  3212.06 16261.70  1944.52  210.077   19.037  199.225   12.078 10.85217 22.54547 
1 1 1    8   14   15 o  168.976   8.0153 11626.86  1099.72 12474.63  1549.16 10765.64  1561.40  174.458   10.992  161.866   11.965 12.59171 16.24780 
1 1 1    8   14   16 o  167.645   7.9416 11456.47  1081.02 12252.80  1535.73 10674.35  1521.95  172.710   11.009  161.023   11.721 11.68680 16.08010 
1 1 1    8   14   17 o  178.826   10.118 13148.65  1463.19 15254.00  3005.95 12494.92  1675.02  189.442   19.836  173.877   11.937 15.56525 23.15057 
1 1 1    8   14   18 o  158.753   10.249 10409.36  1314.08 12047.81  2852.17  9967.85  1480.58  166.264   21.640  154.886   11.863 11.37776 24.67821 
1 1 1    8   14   19 o   98.116   8.7247  3986.05  687.820  3894.11  785.240  4289.16  1425.75   96.635   10.160   98.750   18.460 -2.115334 21.07119 
1 1 1    8   14   20 o   53.489   10.917  1230.18  458.089  1274.92  484.238  849.151  1413.12   54.385   11.334   54.109   21.505 0.2754173 24.30909 
1 1 1    8   14   21 o   90.744   8.5943  3434.44  625.688  4125.60  779.481  2182.36  1049.13   99.151   9.8109   69.152   18.372 29.99850 20.82791 
1 1 1    8   14   22 o   78.361   9.3231  2597.00  581.553  2915.67  668.612  1606.78  1178.62   82.793   10.159   59.652   20.320 23.14130 22.71762 
1 1 1    8   14   23 o   24.871   10.474   57.225  360.484  121.714  382.203 -462.2941  1084.81   26.626   10.963   35.944   16.466 -9.317402 19.78220 
1 1 1    8   14   24 o   67.276   10.862  2010.01  573.127  2018.34  621.896  1963.10  1476.42   66.877   11.888   60.567   22.505 6.309872 25.45240 
1 1 1    8   16    0 o  731.441   35.606 219163.50 21146.61   0.0000   0.0000 219163.50 21146.61  ?   ?   731.441   35.606 0.000000 35.60599 
1 1 1    8   16    1 o  600.555   24.121 147043.50 11762.28 148476.09 20399.07 146329.91 14396.55  599.460   42.178  598.455   29.627 1.005066 51.54377 
1 1 1    8   16    2 o  436.566   18.160 77571.88  6437.39 90529.91 11146.72 71087.33  7885.29  469.766   29.371  416.926   23.387 52.83957 37.54451 
1 1 1    8   16    3 o  434.525   22.063 77167.18  7758.72 76903.91 11026.66 77425.35 10919.10  432.270   31.636  433.819   31.207 -1.549500 44.43752 
1 1 1    8   16    4 o  862.175   41.807 307076.41 29267.38 317688.31 41447.26 296522.59 41333.61  867.683   59.183  837.038   61.241 30.64539 85.16529 
1 1 1    8   16    5 o  414.849   21.107 70430.57  7086.28 73229.53 10097.07 67713.84  9947.62  421.418   29.698  404.989   30.474 16.42944 42.55195 
1 1 1    8   16    6 o  1032.45   76.505 472824.19 63679.00 472824.19 63679.00   0.0000   0.0000  1032.45   76.505  ?   ?  0.000000 76.50517 
1 1 1    8   16    7 o  879.222   35.632 321070.31 25437.74 307440.59 44288.13 327780.50 31074.82  836.026   65.773  883.623   43.311 -47.59747 78.75296 
1 1 1    8   16    8 o  753.282   30.719 234777.50 18788.90 225372.00 32780.46 239379.20 22929.12  720.328   56.499  757.269   37.291 -36.94043 67.69610 
1 1 1    8   16    9 f  629.410   25.923 163239.50 13248.24 150999.70 23193.10 169167.41 16140.64  592.795   48.613  638.661   31.125 -45.86615 57.72367 
1 1 1    8   16   10 o  279.280   12.334 31785.00  2796.88 31782.86  5121.65 31785.91  3338.65  277.075   22.973  278.666   14.808 -1.590698 27.33185 
1 1 1    8   16   11 o  231.093   10.967 21754.32  2057.92 21797.86  3862.15 21737.06  2431.91  229.382   20.968  230.477   13.049 -1.095093 24.69690 
1 1 1    8   16   12 o  269.415   12.290 29611.24  2688.42 27256.61  4953.20 30594.57  3200.93  255.651   24.148  273.221   14.480 -17.56996 28.15644 
1 1 1    8   16   13 o  312.448   13.858 39916.52  3515.69 37007.70  6420.83 41162.00  4201.47  296.826   26.934  316.424   16.409 -19.59778 31.53913 
1 1 1    8   16   14 o  416.622   17.400 71417.79  5886.22 71518.41 10570.23 71372.55  7086.70  409.377   32.056  414.686   21.117 -5.309204 38.38601 
1 1 1    8   16   15 o  214.018   10.841 18770.68  1877.67 19455.27  3690.11 18531.51  2181.15  215.058   21.417  212.275   12.713 2.782761 24.90613 
1 1 1    8   16   16 o   88.901   11.428  3295.57  805.846  2645.94  1942.54  3430.61  885.649   79.470   26.068   90.535   12.372 -11.06517 28.85504 
1 1 1    8   16   17 o  320.632   17.957 43416.31  4656.17 48523.98  7068.79 39501.78  6188.33  331.710   26.465  299.838   25.666 31.87146 36.86665 
1 1 1    8   16   18 o  142.289   13.111  8492.54  1497.72  9870.83  2774.97  7926.01  1779.11  148.460   23.826  136.191   16.420 12.27000 28.93592 
1 1 1    8   16   19 o  158.141   8.8668 10330.35  1133.95 10826.63  1546.07  9752.56  1668.19  160.811   11.926  151.856   13.676 8.954529 18.14531 
1 1 1    8   16   20 o   49.926   10.488  1074.21  411.666  1070.84  462.785  1086.98  901.088   49.634   11.678   51.531   17.761 -1.897049 21.25603 
1 1 1    8   16   21 f  162.860   9.9838 11118.25  1313.85 12856.47  1797.04  9122.10  1925.76  173.422   12.853  143.339   16.869 30.08270 21.20792 
1 1 1    8   16   22 o   31.033   14.560 -780.0838  928.605   0.0000   0.0000 -780.0838  928.605  ?   ?    31.033   14.560 0.000000 14.56009 
1 1 1    8   16   23 o   76.683   9.9275  2544.76  603.619  2457.92  713.872  2762.57  1130.61   74.180   12.282   74.635   18.696 -0.4557037 22.36937 
1 1 1    8   16   24 o   68.402   12.464  2158.51  666.733  2158.51  666.733   0.0000   0.0000   68.402   12.464  ?   ?  0.000000 12.46367 
1 1 1    8   18    0 o  455.734   23.277 85097.30  8584.77   0.0000   0.0000 85097.30  8584.77  ?   ?   455.734   23.277 0.000000 23.27718 
1 1 1    8   18    1 o  587.203   23.762 140980.80 11329.51 140248.41 19679.90 141343.91 13855.88  579.904   42.082  586.931   29.074 -7.027039 51.14886 
1 1 1    8   18    2 o  119.677   9.0295  5854.12  870.974  7778.59  1537.28  4944.33  1056.99  137.538   13.959  109.589   12.079 27.94868 18.45969 
1 1 1    8   18    3 o  342.030   15.443 47660.85  4288.66 50995.33  7419.43 45987.71  5255.61  351.701   26.168  335.083   19.400 16.61792 32.57508 
1 1 1    8   18    4 o  610.330   44.159 156833.09 21735.81 156833.09 21735.81   0.0000   0.0000  610.330   44.159  ?   ?  0.000000 44.15864 
1 1 1    8   18    5 o   54.683   18.145  1157.20  940.150  1157.20  940.150   0.0000   0.0000   54.683   18.145  ?   ?  0.000000 18.14497 
1 1 1    8   18    6 o  309.617   16.883 39255.68  4228.25 40793.85  6095.60 37829.21  5870.09  314.277   24.070  302.569   24.093 11.70721 34.05668 
1 1 1    8   18    7 o  243.842   9.4838 24186.09  1877.72 32266.58  3562.04 21076.58  2209.67  280.743   15.689  227.180   12.022 53.56313 19.76522 
1 1 1    8   18    8 o  240.408   9.8830 23517.84  1929.20 26895.24  3640.39 22198.94  2274.91  255.862   17.630  233.131   12.059 22.73099 21.36009 
1 1 1    8   18    9 o  175.482   9.0267 12561.05  1281.82 13616.62  2519.45 12192.39  1488.92  181.635   17.292  172.716   10.669 8.919403 20.31849 
1 1 1    8   18   10 o   88.160   7.8781  3186.15  558.000  3313.50  1399.28  3162.06  608.475   88.114   20.014   87.735   8.6542 0.3791885 21.80467 
1 1 1    8   18   11 o  248.382   12.347 25171.29  2490.06 19538.29  4699.27 27370.34  2936.15  215.110   27.537  258.442   14.045 -43.33199 30.91182 
1 1 1    8   18   12 o  342.721   15.093 48091.39  4200.02 44052.71  7646.99 49835.99  5025.96  322.996   29.483  347.857   17.854 -24.86053 34.46756 
1 1 1    8   18   13 o  226.989   11.451 21091.53  2103.78 16469.54  4051.69 22797.62  2461.63  196.962   25.968  235.758   12.908 -38.79636 28.99924 
1 1 1    8   18   14 o  110.276   12.395  5041.13  1090.63  5729.02  1986.73  4744.42  1304.81  115.430   22.001  106.295   15.581 9.135559 26.95883 
1 1 1    8   18   15 o  363.955   18.940 55457.66  5577.93 65962.92  8313.07 46854.88  7522.77  391.655   26.293  328.215   28.511 63.44043 38.78448 
1 1 1    8   18   16 o   75.184   12.348  2391.05  727.641  5557.82  2104.54  1961.09  775.466  111.687   23.927   67.481   14.579 44.20606 28.01882 
1 1 1    8   18   17 o  192.010   11.049 15268.66  1715.31 19664.74  4038.84 14301.23  1894.67  210.782   24.028  185.231   12.674 25.55141 27.16545 
1 1 1    8   18   18 o   76.879   13.471  2539.68  810.232  1325.68  2465.86  2686.61  857.864   68.743   28.022   79.000   13.880 -10.25727 31.27151 
1 1 1    8   18   19 o  127.595   11.680  6852.05  1196.62  5789.32  3212.61  7023.24  1289.41  105.582   33.429  128.874   12.478 -23.29223 35.68221 
1 1 1    8   18   20 o  142.833   12.035  8654.76  1382.73 10287.03  3657.17  8382.51  1493.60  138.442   33.001  139.891   13.310 -1.449509 35.58366 
1 1 1    8   18   21 f  101.766   16.037  4652.73  1281.25 12929.71  4019.35  3716.54  1351.77  150.243   33.769   88.877   19.286 61.36650 38.88845 
1 1 1    8   18   22 o   78.158   18.285  2945.91  1139.79   0.0000   0.0000  2945.91  1139.79  ?   ?    78.158   18.285 0.000000 18.28531 
1 1 1    8   18   23 f   87.383   21.182  4080.21  1487.30   0.0000   0.0000  4080.21  1487.30  ?   ?    87.383   21.182 0.000000 21.18231 
1 1 1    8   20    0 o  324.951   25.723 43674.41  6731.46   0.0000   0.0000 43674.41  6731.46  ?   ?   324.951   25.723 0.000000 25.72273 
1 1 1    8   20    1 o  686.499   50.286 201612.59 27834.83   0.0000   0.0000 201612.59 27834.83  ?   ?   686.499   50.286 0.000000 50.28553 
1 1 1    8   20    2 o  334.810   18.844 45971.93  5102.06 56334.55  7199.30 35516.11  7231.60  369.622   24.120  291.454   31.036 78.16794 39.30640 
1 1 1    8   20    3 o  1055.48   43.913 470033.31 37634.48 515569.31 65197.36 447278.31 46088.21  1064.41   75.935  1016.37   56.064 48.03961 94.38904 
1 1 1    8   20    4 o  544.731   27.806 122735.60 12257.65 118645.60 17446.92 126722.40 17225.08  529.930   40.863  548.747   38.911 -18.81714 56.42562 
1 1 1    8   20    5 o  282.198   16.242 32625.55  3705.80 32181.36  5360.36 33032.20  5128.88  278.798   23.910  282.791   22.523 -3.992218 32.84838 
1 1 1    8   20    6 o  155.275   12.273  9883.78  1534.77 10240.21  2310.50  9602.32  2053.19  157.136   18.461  152.367   16.879 4.769180 25.01415 
1 1 1    8   20    7 o  207.943   13.805 17716.21  2317.68 16489.37  3440.46 18735.55  3136.04  199.228   21.615  213.153   18.297 -13.92529 28.31927 
1 1 1    8   20    8 o  294.561   12.725 35383.85  3043.45 36280.87  5702.39 35026.56  3598.89  295.673   23.958  292.402   15.211 3.270233 28.37906 
1 1 1    8   20    9 o  213.769   9.9540 18608.66  1727.75 19928.02  3455.93 18169.01  1994.96  219.423   19.604  210.786   11.702 8.636597 22.83093 
1 1 1    8   20   10 o  363.960   15.461 54219.29  4569.19 52011.76  8332.06 55168.66  5464.07  351.624   29.455  366.058   18.443 -14.43439 34.75217 
1 1 1    8   20   11 o  292.910   17.105 35341.35  4050.42 33000.37  5968.82 37339.49  5514.45  280.162   26.556  299.444   22.853 -19.28250 35.03512 
1 1 1    8   20   12 o  320.760   17.900 42506.44  4643.50 44287.25  6878.60 41015.42  6294.07  324.218   26.357  312.506   25.014 11.71213 36.33774 
1 1 1    8   20   13 o  404.370   22.037 68440.32  7208.21 67381.56 10534.11 69372.56  9884.73  393.810   33.255  401.662   30.537 -7.851624 45.14866 
1 1 1    8   20   14 o   39.399   14.206  538.755  581.384  3922.75  2400.84  327.954  599.218   94.534   28.733   36.102   14.110 58.43156 32.01060 
1 1 1    8   20   15 o   99.655   10.272  4119.23  819.287 -1130.4010  2834.18  4597.91  855.825   59.859   27.108  105.372   10.128 -45.51271 28.93823 
1 1 1    8   20   16 o  109.961   10.605  5027.27  935.131 -421.0909  3114.58  5567.08  980.362   65.534   29.142  115.779   10.544 -50.24497 30.99079 
1 1 1    8   20   17 o   77.864   14.729  2625.24  897.100   57.274  3095.30  2860.73  937.331   66.817   29.413   81.363   14.731 -14.54593 32.89508 
1 1 1    8   20   18 o  146.684   11.825  9035.12  1396.40 10191.81  3594.20  8829.49  1515.46  142.581   31.849  144.473   13.060 -1.891586 34.42293 
1 1 1    8   20   19 o  186.329   12.437 14697.84  1870.85 18934.95  5014.73 14012.76  2016.43  189.739   33.789  181.052   13.821 8.687027 36.50614 
1 1 1    8   20   20 o   99.703   16.028  4443.99  1253.59 13689.63  4383.73  3620.58  1308.22  153.449   35.833   88.303   18.821 65.14572 40.47548 
1 1 1    8   20   21 o  165.111   14.605 12111.88  1937.84   0.0000   0.0000 12111.88  1937.84  ?   ?   165.111   14.605 0.000000 14.60514 
1 1 1    8   20   22 o   54.758   20.231  1430.40  1189.74   0.0000   0.0000  1430.40  1189.74  ?   ?    54.758   20.231 0.000000 20.23120 
1 1 1    8   22    0 o  412.023   22.097 69894.23  7365.44   0.0000   0.0000 69894.23  7365.44  ?   ?   412.023   22.097 0.000000 22.09661 
1 1 1    8   22    1 o  571.879   29.744 135851.91 13763.66   0.0000   0.0000 135851.91 13763.66  ?   ?   571.879   29.744 0.000000 29.74354 
1 1 1    8   22    2 o  404.248   17.830 66843.23  5852.29 69470.37 10227.80 65564.41  7135.92  407.912   31.115  398.972   22.114 8.940887 38.17278 
1 1 1    8   22    3 o  258.232   13.395 27262.66  2798.90 31171.19  4924.48 25397.56  3401.78  274.568   22.281  248.684   16.948 25.88379 27.99422 
1 1 1    8   22    4 o  200.242   11.886 16393.67  1923.86 19534.49  3348.54 14846.05  2350.53  217.529   19.154  190.052   15.363 27.47739 24.55392 
1 1 1    8   22    5 o  358.176   19.912 52790.90  5767.99 49207.50  8322.14 56103.63  8001.65  342.771   30.210  367.250   27.023 -24.47836 40.53310 
1 1 1    8   22    6 o  223.623   14.714 20513.66  2656.85 18572.09  3928.55 22150.17  3606.74  211.035   23.316  231.566   19.360 -20.53130 30.30584 
1 1 1    8   22    7 o  228.429   14.727 21411.74  2716.89 22394.36  4026.77 20590.64  3680.99  232.249   21.601  222.854   20.575 9.395172 29.83157 
1 1 1    8   22    8 o  444.820   23.463 82022.68  8444.44 82995.26 12209.75 81130.90 11691.57  442.369   34.260  437.957   33.123 4.412048 47.65334 
1 1 1    8   22    9 o  274.624   16.263 31022.15  3610.18 34286.98  5399.40 28382.50  4855.00  286.836   23.387  260.871   23.161 25.96451 32.91493 
1 1 1    8   22   10 f   70.395   16.965  2116.49  958.279  2341.39  1723.82  2015.91  1152.82   75.941   24.535   69.039   19.633 6.901855 31.42307 
1 1 1    8   22   11 o  159.577   9.5142 10420.91  1227.16 10661.25  2829.76 10365.25  1361.88  158.592   22.616  158.995   10.610 -0.4028015 24.98076 
1 1 1    8   22   12 o  266.592   12.412 29134.24  2686.69 30204.58  5326.52 28769.01  3111.50  266.574   24.897  264.051   14.569 2.523010 28.84621 
1 1 1    8   22   13 o  287.163   12.763 33941.56  2975.85 44549.89  6084.23 30605.75  3411.79  323.140   23.346  271.376   15.548 51.76364 28.04960 
1 1 1    8   22   14 o  108.340   10.228  4861.50  889.110  108.237  2681.27  5448.73  942.432   64.542   27.904  114.751   10.222 -50.20909 29.71759 
1 1 1    8   22   15 o   72.100   12.992  2220.40  732.599  2742.18  3042.54  2188.29  754.806   84.217   32.086   71.438   13.508 12.77887 34.81316 
1 1 1    8   22   16 o  160.127   10.809 10654.91  1397.19 18190.25  3673.04  9380.11  1510.76  202.290   22.757  149.590   12.554 52.69954 25.99044 
1 1 1    8   22   17 o   85.949   14.029  3186.59  945.244  5509.49  3673.38  3021.87  978.184  103.232   35.844   83.312   15.012 19.92032 38.86069 
1 1 1    8   22   18 o  118.116   13.107  5962.44  1235.84  3970.12  4302.71  6141.58  1290.20   90.860   37.025  119.714   13.509 -28.85397 39.41219 
1 1 1    8   22   19 o   76.695   16.539  2666.98  999.686 -30.5189  3692.25  2880.37  1038.47   66.700   30.490   79.759   16.576 -13.05952 34.70489 
1 1 1    8   22   20 o   33.087   15.056 -381.2609  887.327   0.0000   0.0000 -381.2609  887.327  ?   ?    33.087   15.056 0.000000 15.05573 
1 1 1    8   22   21 o   46.244   18.104  814.334  987.722   0.0000   0.0000  814.334  987.722  ?   ?    46.244   18.104 0.000000 18.10369 
1 1 1    8   22   22 o   47.568   21.412  399.945  1737.44   0.0000   0.0000  399.945  1737.44  ?   ?    47.568   21.412 0.000000 21.41191 
1 1 1    8   24    0 o  539.684   28.225 121232.20 12325.53   0.0000   0.0000 121232.20 12325.53  ?   ?   539.684   28.225 0.000000 28.22533 
1 1 1    8   24    1 o  572.888   29.920 136994.09 13869.58   0.0000   0.0000 136994.09 13869.58  ?   ?   572.888   29.920 0.000000 29.92020 
1 1 1    8   24    2 o  255.846   13.822 26798.64  2860.72 24574.11  5063.55 27841.55  3467.05  242.311   26.151  260.339   16.487 -18.02727 30.91384 
1 1 1    8   24    3 o  206.607   12.808 17480.86  2138.11 16378.30  3758.49 18008.39  2599.77  197.817   23.883  209.316   15.405 -11.49956 28.42026 
1 1 1    8   24    4 o  687.895   35.426 200071.59 19719.84 199939.30 28121.62 200199.59 27660.24  672.655   51.889  674.112   50.910 -1.456787 72.69320 
1 1 1    8   24    5 o  476.748   25.206 94440.35  9722.71 96290.41 14003.59 92718.50 13509.68  475.498   36.550  466.928   35.909 8.570099 51.23813 
1 1 1    8   24    6 o  310.787   18.473 39814.89  4640.77 37777.24  6825.33 41566.89  6328.84  299.632   28.393  315.666   24.894 -16.03482 37.76082 
1 1 1    8   24    7 o  212.625   15.714 18622.67  2693.80 13377.58  4106.79 22583.59  3568.82  176.443   29.722  233.538   18.985 -57.09465 35.26771 
1 1 1    8   24    8 o  357.073   20.642 52839.23  5959.21 49062.57  8773.35 56074.14  8119.75  339.097   32.253  365.007   27.601 -25.90936 42.45055 
1 1 1    8   24    9 o  373.291   14.888 57164.68  4512.41 63015.11  8580.61 54928.21  5305.25  386.240   27.541  365.075   17.897 21.16489 32.84524 
1 1 1    8   24   10 o  273.894   12.439 30724.87  2766.40 29871.43  5607.76 30999.36  3180.32  264.874   26.427  274.364   14.326 -9.490295 30.06020 
1 1 1    8   24   11 o  231.024   11.345 21872.31  2128.12 25359.06  4838.26 21035.92  2369.66  243.406   24.828  225.882   12.975 17.52446 28.01383 
1 1 1    8   24   12 o  131.100   9.7962  7079.12  1035.26  8487.25  3229.25  6917.81  1092.95  136.665   29.930  129.454   10.488 7.211884 31.71396 
1 1 1    8   24   13 o   56.237   11.377  1348.88  501.654 -4243.2300  2756.86  1540.39  510.171   47.191   22.911   60.303   10.817 -13.11269 25.33639 
1 1 1    8   24   14 o   48.837   13.493  1023.82  552.786 -1511.7930  3119.50  1106.02  561.675   60.542   27.804   50.656   13.436 9.885395 30.88018 
1 1 1    8   24   15 o  165.410   11.904 11426.96  1588.16  6444.79  4114.01 12299.45  1721.62  111.945   37.964  171.416   12.454 -59.47043 39.95451 
1 1 1    8   24   16 o   64.784   14.793  1844.05  761.057  1304.19  3110.74  1878.42  784.911   72.600   30.681   65.323   15.101 7.277847 34.19617 
1 1 1    8   24   17 o  103.283   13.793  4597.96  1127.82  5746.68  3731.96  4482.51  1183.14  102.138   36.082  101.532   14.786 0.6061783 38.99380 
1 1 1    8   24   18 o   45.025   17.061  712.651  857.351 -330.0631  3758.25  769.894  880.570   66.118   30.421   46.110   17.332 20.00782 35.01222 
1 1 1    8   24   19 o   76.950   17.882  2781.13  1096.02   0.0000   0.0000  2781.13  1096.02  ?   ?    76.950   17.882 0.000000 17.88203 
1 1 1    8   24   20 o  101.538   17.900  4928.48  1421.82   0.0000   0.0000  4928.48  1421.82  ?   ?   101.538   17.900 0.000000 17.89960 
1 1 1    8   24   21 o   43.309   18.715  426.578  1204.83   0.0000   0.0000  426.578  1204.83  ?   ?    43.309   18.715 0.000000 18.71487 
1 1 1    8   26    0 o  139.792   23.079  8284.51  2528.21   0.0000   0.0000  8284.51  2528.21  ?   ?   139.792   23.079 0.000000 23.07924 
1 1 1    8   26    1 o  427.093   34.125 77556.37 11735.25   0.0000   0.0000 77556.37 11735.25  ?   ?   427.093   34.125 0.000000 34.12506 
1 1 1    8   26    2 f  204.670   22.030 17493.97  3603.34   0.0000   0.0000 17493.97  3603.34  ?   ?   204.670   22.030 0.000000 22.02966 
1 1 1    8   26    3 o  199.651   15.666 16428.32  2519.19 17253.50  3882.46 15828.26  3310.79  202.646   24.066  194.716   21.288 7.930267 32.12991 
1 1 1    8   26    4 o  222.290   14.078 20293.91  2527.78 21113.10  4479.93 19911.29  3061.72  224.045   25.055  219.528   17.317 4.516937 30.45735 
1 1 1    8   26    5 o  429.964   19.716 76251.80  6883.35 72525.16 11983.69 78086.70  8408.89  410.330   36.344  432.847   24.020 -22.51660 43.56455 
1 1 1    8   26    6 o  201.995   15.762 16846.33  2564.65 16204.47  3927.09 17323.65  3386.57  195.523   25.332  203.624   20.774 -8.100403 32.76055 
1 1 1    8   26    7 o  223.134   15.911 20568.49  2863.75 25043.02  4455.84 17419.57  3737.98  244.260   22.727  203.262   23.057 40.99835 32.37495 
1 1 1    8   26    8 o  142.564   15.290  8455.50  1742.33  7000.67  3008.05  9190.03  2137.39  125.711   29.905  147.992   18.169 -22.28150 34.99132 
1 1 1    8   26    9 o  186.345   11.191 14273.69  1685.46 14587.15  4115.12 14210.51  1847.54  182.423   28.733  185.688   12.324 -3.265015 31.26411 
1 1 1    8   26   10 o  271.928   10.322 30304.87  2279.14 52140.30  5385.05 25540.02  2515.55  352.364   18.891  249.109   12.437 103.2551 22.61691 
1 1 1    8   26   11 o  142.935   10.071  8425.89  1161.35  6939.36  3429.61  8618.42  1234.27  121.332   33.641  144.447   10.598 -23.11534 35.27046 
1 1 1    8   26   12 o  267.430   14.260 29873.34  3085.34 27698.27  6826.63 30431.68  3458.75  240.480   36.074  269.011   15.905 -28.53072 39.42496 
1 1 1    8   26   13 o   37.301   13.260  506.365  504.758 -1261.2860  2646.00  573.120  514.200   56.148   25.720   38.796   13.414 17.35181 29.00793 
1 1 1    8   26   14 o   81.240   12.247  2806.56  782.792 -1754.6920  3621.68  3030.09  801.743   63.549   29.460   84.540   12.018 -20.99107 31.81718 
1 1 1    8   26   15 f  178.105   12.452 13352.99  1789.46 11134.29  5264.35 13642.85  1902.76  137.177   42.700  179.681   13.133 -42.50447 44.67421 
1 1 1    8   26   16 f  117.499   13.278  5914.88  1244.56  4652.70  4980.74  5998.93  1285.34   95.018   39.392  118.170   13.647 -23.15159 41.68865 
1 1 1    8   26   17 o  107.179   13.104  4966.91  1116.64 10337.63  5327.96  4720.17  1142.00  120.746   43.063  104.083   13.857 16.66290 45.23785 
1 1 1    8   26   18 o   96.719   15.560  4221.03  1180.53   0.0000   0.0000  4221.03  1180.53  ?   ?    96.719   15.560 0.000000 15.55999 
1 1 1    8   26   19 o   24.594   12.228 -2117.3701  952.225   0.0000   0.0000 -2117.3701  952.225  ?   ?    24.594   12.228 0.000000 12.22820 
1 1 1    8   26   20 o   35.534   16.409 -426.0846  1107.79   0.0000   0.0000 -426.0846  1107.79  ?   ?    35.534   16.409 0.000000 16.40949 
1 1 1    8   28    0 o  391.191   22.981 63860.22  7267.58   0.0000   0.0000 63860.22  7267.58  ?   ?   391.191   22.981 0.000000 22.98123 
1 1 1    8   28    1 o  111.851   19.462  5311.02  1703.35   0.0000   0.0000  5311.02  1703.35  ?   ?   111.851   19.462 0.000000 19.46230 
1 1 1    8   28    2 o  475.905   26.767 95395.19 10301.37   0.0000   0.0000 95395.19 10301.37  ?   ?   475.905   26.767 0.000000 26.76726 
1 1 1    8   28    3 o  216.359   14.816 19302.04  2587.22 16062.21  4690.52 20718.77  3101.74  192.169   31.125  223.605   17.216 -31.43625 35.56929 
1 1 1    8   28    4 o   71.184   19.369  2167.62  1149.32  3525.64  2098.46  1585.69  1373.67   90.580   26.710   64.129   21.936 26.45076 34.56323 
1 1 1    8   28    5 o  123.248   15.611  6351.71  1527.24  6303.26  2697.19  6374.58  1852.89  119.529   28.240  122.576   19.251 -3.047478 34.17731 
1 1 1    8   28    6 o  164.166   14.874 11193.39  1961.12 13339.68  3606.97 10292.65  2336.68  175.591   26.092  156.311   18.787 19.28026 32.15216 
1 1 1    8   28    7 o  285.568   19.080 34207.71  4398.57 41194.27  7063.95 29783.40  5621.33  307.573   28.613  262.324   26.766 45.24881 39.18127 
1 1 1    8   28    8 o  132.983   17.775  7510.04  1871.23 11230.46  3899.17  6396.81  2132.89  156.856   31.705  120.967   22.545 35.88867 38.90359 
1 1 1    8   28    9 o  167.078   10.547 11515.35  1423.50  8322.86  4090.21 11955.32  1518.42  131.328   36.854  170.121   11.052 -38.79329 38.47574 
1 1 1    8   28   10 o   86.795   8.7263  3117.98  606.649  6344.83  3015.60  2981.88  619.310  115.921   31.304   84.779   9.1412 31.14126 32.61147 
1 1 1    8   28   11 o   70.651   10.665  2103.47  592.753  827.619  3142.51  2150.54  603.588   72.044   30.659   71.436   10.738 0.6084900 32.48532 
1 1 1    8   28   12 o   59.079   11.760  1497.78  544.312  2366.03  3834.99  1479.93  549.879   84.577   34.765   58.677   11.948 25.90081 36.76064 
1 1 1    8   28   13 o  113.813   10.803  5421.17  986.324  5176.02  4481.94  5433.65  1011.11  101.633   38.890  113.858   11.077 -12.22545 40.43686 
1 1 1    8   28   14 o   73.085   13.219  2314.43  755.554 -1797.5720  4547.17  2431.18  766.205   69.184   32.383   75.002   13.056 -5.818001 34.91615 
1 1 1    8   28   15 o   68.185   16.071  2088.81  875.217  2645.54  4019.24  2061.10  896.736   81.869   34.752   67.604   16.485 14.26451 38.46339 
1 1 1    8   28   16 o   43.491   17.090  585.163  883.078 -7796.5469  5051.22  849.415  896.890   56.450   28.083   47.276   17.546 9.173771 33.11373 
1 1 1    8   28   17 o   54.815   18.253  1369.69  951.115   0.0000   0.0000  1369.69  951.115  ?   ?    54.815   18.253 0.000000 18.25344 
1 1 1    8   28   18 o   78.704   17.086  2964.44  1060.56   0.0000   0.0000  2964.44  1060.56  ?   ?    78.704   17.086 0.000000 17.08581 
1 1 1    8   28   19 o   44.837   18.779  649.292  1148.54   0.0000   0.0000  649.292  1148.54  ?   ?    44.837   18.779 0.000000 18.77911 
1 1 1    8   30    0 o  379.608   23.491 61129.76  7204.96   0.0000   0.0000 61129.76  7204.96  ?   ?   379.608   23.491 0.000000 23.49072 
1 1 1    8   30    1 o  287.256   20.397 34716.62  4726.52   0.0000   0.0000 34716.62  4726.52  ?   ?   287.256   20.397 0.000000 20.39702 
1 1 1    8   30    2 o  354.925   22.590 53389.01  6476.15   0.0000   0.0000 53389.01  6476.15  ?   ?   354.925   22.590 0.000000 22.58952 
1 1 1    8   30    3 o  335.896   21.696 47782.87  5885.62   0.0000   0.0000 47782.87  5885.62  ?   ?   335.896   21.696 0.000000 21.69588 
1 1 1    8   30    4 o  129.116   17.380  7065.94  1775.77  8570.40  4067.84  6711.74  1973.77  135.009   36.315  124.903   20.147 10.10620 41.52972 
1 1 1    8   30    5 o  154.985   16.781 10129.32  2078.04 10961.16  4444.70  9896.63  2350.78  151.999   36.478  152.214   19.466 -0.2151947 41.34703 
1 1 1    8   30    6 o  259.284   17.284 28295.23  3617.93 36513.91  6866.42 25136.62  4256.75  284.992   30.130  241.729   21.926 43.26357 37.26332 
1 1 1    8   30    7 o  261.891   17.228 28952.98  3642.95 32706.92  6730.19 27397.33  4332.51  266.943   31.668  252.167   21.361 14.77626 38.19884 
1 1 1    8   30    8 o   98.802   22.304  4372.54  1746.94 -37.4543  4267.16  5260.48  1914.75   77.330   34.262  108.519   22.470 -31.18841 40.97325 
1 1 1    8   30    9 o   57.019   20.539  1231.02  1214.88  3347.40  3368.09  914.478  1302.57   89.537   33.843   54.162   20.904 35.37423 39.77879 
1 1 1    8   30   10 o  101.018   9.5799  4241.97  776.373  5697.41  3895.61  4181.77  792.266  106.685   36.920  100.223   9.8635 6.462578 38.21444 
1 1 1    8   30   11 o   22.895   10.441 -265.8221  429.706  858.663  4249.66 -277.4379  431.919   78.450   34.500   22.833   10.434 55.61688 36.04329 
1 1 1    8   30   12 o  152.057   11.071  9679.14  1357.52 10103.77  5737.17  9653.96  1397.19  127.484   44.765  151.711   11.426 -24.22714 46.20032 
1 1 1    8   30   13 o   59.466   13.568  1555.74  640.651  1056.31  5246.84  1563.30  645.481   81.275   36.838   59.597   13.635 21.67799 39.28038 
1 1 1    8   30   14 o  112.053   12.268  5373.47  1097.96  2365.54  6058.69  5475.61  1116.45   85.568   39.093  113.080   12.361 -27.51176 41.00061 
1 1 1    8   30   15 o   79.532   14.082  2809.10  876.094 -685.7863  5172.72  2912.31  888.937   70.719   33.538   81.043   14.016 -10.32382 36.34896 
1 1 1    8   30   16 o   67.173   16.634  2119.63  902.477   0.0000   0.0000  2119.63  902.477  ?   ?    67.173   16.634 0.000000 16.63389 
1 1 1    8   30   17 o  118.906   14.451  6447.04  1366.49   0.0000   0.0000  6447.04  1366.49  ?   ?   118.906   14.451 0.000000 14.45055 
1 1 1    8   30   18 o   58.561   20.417  1838.68  1192.37   0.0000   0.0000  1838.68  1192.37  ?   ?    58.561   20.417 0.000000 20.41652 
1 1 1    8   32    0 o   88.141   25.062  3490.76  1878.60   0.0000   0.0000  3490.76  1878.60  ?   ?    88.141   25.062 0.000000 25.06167 
1 1 1    8   32    1 o  225.085   20.765 21789.22  3752.22   0.0000   0.0000 21789.22  3752.22  ?   ?   225.085   20.765 0.000000 20.76479 
1 1 1    8   32    2 o  115.823   23.467  5988.90  2131.36   0.0000   0.0000  5988.90  2131.36  ?   ?   115.823   23.467 0.000000 23.46742 
1 1 1    8   32    3 o  141.489   21.091  8738.78  2348.99   0.0000   0.0000  8738.78  2348.99  ?   ?   141.489   21.091 0.000000 21.09105 
1 1 1    8   32    4 o  237.099   17.712 23889.40  3385.22 29988.28  6825.06 21899.41  3898.58  251.572   34.307  224.511   21.655 27.06192 40.56934 
1 1 1    8   32    5 o  230.578   17.874 22670.75  3320.18 26648.97  6551.96 21296.21  3851.29  235.007   35.437  220.939   21.750 14.06816 41.57987 
1 1 1    8   32    6 o  105.368   22.695  5011.64  1884.33  1233.97  4179.27  5975.55  2111.09   81.541   35.044  114.960   23.412 -33.41904 42.14510 
1 1 1    8   32    7 o  108.982   21.287  5320.24  1816.13  6597.33  4851.05  5112.07  1958.56  113.061   40.995  105.836   23.412 7.225166 47.20892 
1 1 1    8   32    8 f  135.017   22.031  8188.54  2331.93  6745.29  5754.81  8472.07  2550.73  112.631   43.808  136.257   23.928 -23.62593 49.91650 
1 1 1    8   32    9 o   98.578   27.390  4679.60  2271.03 12349.03  5699.74  3232.24  2476.06  144.353   44.348   83.772   29.409 60.58149 53.21336 
1 1 1    8   32   10 f  118.056   10.334  5830.49  980.661 13466.57  5972.37  5618.91  994.154  146.757   45.448  115.757   10.698 31.00017 46.69030 
1 1 1    8   32   11 o  116.968   11.029  5765.84  1035.12  4135.94  5386.23  5828.34  1054.78   93.638   40.001  117.544   11.186 -23.90578 41.53534 
1 1 1    8   32   12 o  205.291   12.788 17954.91  2120.99 22680.44  7976.95 17595.42  2200.19  169.940   52.507  202.720   13.443 -32.78030 54.20098 
1 1 1    8   32   13 o  206.686   13.489 18440.89  2251.33 19403.95  8588.10 18369.83  2332.92  136.938   53.445  205.773   14.047 -68.83571 55.26009 
1 1 1    8   32   14 o  129.354   11.833  7214.75  1229.03 16091.24  7962.71  6998.12  1243.94  118.018   49.438  127.154   12.198 -9.136864 50.92097 
1 1 1    8   32   15 o   90.204   14.096  3677.83  998.648   0.0000   0.0000  3677.83  998.648  ?   ?    90.204   14.096 0.000000 14.09610 
1 1 1    8   32   16 o   96.098   14.995  4310.48  1131.82   0.0000   0.0000  4310.48  1131.82  ?   ?    96.098   14.995 0.000000 14.99475 
1 1 1    8   32   17 o   49.912   18.868  1225.08  1047.01   0.0000   0.0000  1225.08  1047.01  ?   ?    49.912   18.868 0.000000 18.86839 
1 1 1    8   34    0 o   59.529   24.902  631.683  2016.06   0.0000   0.0000  631.683  2016.06  ?   ?    59.529   24.902 0.000000 24.90181 
1 1 1    8   34    1 o   92.530   28.150  4026.99  2303.56   0.0000   0.0000  4026.99  2303.56  ?   ?    92.530   28.150 0.000000 28.14959 
1 1 1    8   34    2 o   97.142   27.510  4462.17  2268.30   0.0000   0.0000  4462.17  2268.30  ?   ?    97.142   27.510 0.000000 27.50993 
1 1 1    8   34    3 o  212.642   23.278 20247.76  3953.42   0.0000   0.0000 20247.76  3953.42  ?   ?   212.642   23.278 0.000000 23.27757 
1 1 1    8   34    4 o  224.541   22.768 22541.99  4093.64   0.0000   0.0000 22541.99  4093.64  ?   ?   224.541   22.768 0.000000 22.76784 
1 1 1    8   34    5 o  106.235   26.043  5345.24  2229.08 11680.19  6101.80  4369.60  2394.58  138.630   46.237   95.152   28.645 43.47798 54.39121 
1 1 1    8   34    6 o   96.836   28.607  4576.54  2405.23  6750.08  5052.80  3939.73  2734.97  110.360   41.510   90.311   30.952 20.04865 51.77956 
1 1 1    8   34    7 o  145.490   24.464  9866.60  2787.46 10682.39  6908.64  9707.97  3046.43  126.129   48.279  142.029   27.409 -15.90089 55.51697 
1 1 1    8   34    8 o   56.005   23.978  425.757  1943.24 11430.37  4622.19 -1936.9030  2141.71  141.105   39.029   45.705   21.648 95.39947 44.63065 
1 1 1    8   34    9 o   54.744   23.957  162.076  2027.25 -4818.5029  5316.83  1009.34  2192.91   65.306   31.732   62.089   25.972 3.216862 41.00548 
1 1 1    8   34   10 o   22.295   9.9271 -123.8909  362.609  3253.00  7139.98 -132.6231  363.078   90.209   41.659   22.190   9.9030 68.01903 42.81941 
1 1 1    8   34   11 o   77.623   10.546  2577.20  647.490  8672.08  7830.04  2535.24  649.715  101.507   45.594   76.926   10.691 24.58061 46.83108 
1 1 1    8   34   12 o   76.824   11.455  2563.40  692.702  9420.62  8283.01  2515.10  695.137   96.943   44.804   76.009   11.634 20.93416 46.28935 
1 1 1    8   34   13 o   74.999   14.088  2552.65  826.392   0.0000   0.0000  2552.65  826.392  ?   ?    74.999   14.088 0.000000 14.08763 
1 1 1    8   34   14 o   42.090   14.829  762.097  629.935   0.0000   0.0000  762.097  629.935  ?   ?    42.090   14.829 0.000000 14.82895 
1 1 1    8   34   15 o   22.381   10.815 -817.2303  595.789   0.0000   0.0000 -817.2303  595.789  ?   ?    22.381   10.815 0.000000 10.81460 
1 1 1    8   36    0 o   75.437   31.586  1785.50  3247.76   0.0000   0.0000  1785.50  3247.76  ?   ?    75.437   31.586 0.000000 31.58551 
1 1 1    8   36    1 o  112.389   39.301  7225.07  4419.90   0.0000   0.0000  7225.07  4419.90  ?   ?   112.389   39.301 0.000000 39.30103 
1 1 1    8   36    2 o  163.415   46.599 17012.84  6485.15   0.0000   0.0000 17012.84  6485.15  ?   ?   163.415   46.599 0.000000 46.59875 
1 1 1    8   36    3 o  106.089   42.203  6581.36  5446.86   0.0000   0.0000  6581.36  5446.86  ?   ?   106.089   42.203 0.000000 42.20343 
1 1 1    8   36    4 o  130.721   29.453  8614.77  3051.24   0.0000   0.0000  8614.77  3051.24  ?   ?   130.721   29.453 0.000000 29.45322 
1 1 1    8   36    5 o  104.595   31.945  5834.70  2962.37   0.0000   0.0000  5834.70  2962.37  ?   ?   104.595   31.945 0.000000 31.94490 
1 1 1    8   36    6 o   83.751   30.498  3518.60  2688.93   0.0000   0.0000  3518.60  2688.93  ?   ?    83.751   30.498 0.000000 30.49757 
1 1 1    8   36    7 o   88.506   31.612  4195.08  2872.14  1107.08  7617.00  4706.91  3101.05   85.736   40.671   92.354   32.862 -6.618095 52.28804 
1 1 1    8   36    8 o   64.738   27.615  1222.74  2560.43  3375.59  7647.26  950.933  2717.26   88.511   41.610   64.156   27.914 24.35484 50.10553 
1 1 1    8   36    9 o  132.255   32.070  9984.34  3408.36  9262.25  9144.05 10100.86  3673.06   97.914   45.860  129.805   34.325 -31.89153 57.28271 
1 1 1    8   36   10 f   52.260   12.482  1222.99  522.368  8252.12  9231.28  1200.41  523.206   90.780   43.531   51.745   12.576 39.03402 45.31122 
1 1 1    8   36   11 o   56.103   12.693  1423.08  564.696   0.0000   0.0000  1423.08  564.696  ?   ?    56.103   12.693 0.000000 12.69295 
1 1 1    8   36   12 o   78.043   11.794  2710.33  724.065   0.0000   0.0000  2710.33  724.065  ?   ?    78.043   11.794 0.000000 11.79418 
1 1 1    8   36   13 o   43.118   13.870  858.125  551.386   0.0000   0.0000  858.125  551.386  ?   ?    43.118   13.870 0.000000 13.87025 
1 1 1    8   38    0 o   87.694   33.062  4221.08  3209.17   0.0000   0.0000  4221.08  3209.17  ?   ?    87.694   33.062 0.000000 33.06190 
1 1 1    8   38    1 o  100.511   34.450  5947.27  3388.00   0.0000   0.0000  5947.27  3388.00  ?   ?   100.511   34.450 0.000000 34.44978 
1 1 1    8   38    2 o  118.144   35.561  8381.63  3690.52   0.0000   0.0000  8381.63  3690.52  ?   ?   118.144   35.561 0.000000 35.56060 
1 1 1    8   38    3 o  122.993   35.764  9158.53  3785.60   0.0000   0.0000  9158.53  3785.60  ?   ?   122.993   35.764 0.000000 35.76350 
1 1 1    8   38    4 o   87.200   33.173  4361.29  3249.21   0.0000   0.0000  4361.29  3249.21  ?   ?    87.200   33.173 0.000000 33.17311 
1 1 1    8   38    5 o   68.285   29.291  1673.97  2909.54   0.0000   0.0000  1673.97  2909.54  ?   ?    68.285   29.291 0.000000 29.29056 
1 1 1    8   38    6 o   95.809   45.220  9801.62  9195.20   0.0000   0.0000  9801.62  9195.20  ?   ?    95.809   45.220 0.000000 45.22008 
1 1 1    8   38    7 o   98.474   44.627 11081.87  7696.58  6662.33 11395.33 14789.25 10436.91   86.138   42.738   98.542   46.989 -12.40454 63.51831 
1 1 1    8   38    8 o   65.328   32.543 -3954.7720  6876.66 -659.6310  9257.59 -8011.1099 10271.36   73.799   36.916   68.816   34.949 4.983353 50.83556 
1 1 1    8   38    9 o   65.657   33.638 -11591.2695 11424.56   0.0000   0.0000 -11591.2695 11424.56  ?   ?    65.657   33.638 0.000000 33.63793 
1 1 1    8   38   10 o   79.781   41.006 31773.29 18796.22   0.0000   0.0000 31773.29 18796.22  ?   ?    79.781   41.006 0.000000 41.00581 
1 1 1    8   38   11 o   62.004   11.846  1757.80  574.640   0.0000   0.0000  1757.80  574.640  ?   ?    62.004   11.846 0.000000 11.84588 
1 1 1    8   40    0 o   72.513   31.816  2731.15  3596.20   0.0000   0.0000  2731.15  3596.20  ?   ?    72.513   31.816 0.000000 31.81639 
1 1 1    8   40    1 o  128.567   40.443 12990.43  4708.53   0.0000   0.0000 12990.43  4708.53  ?   ?   128.567   40.443 0.000000 40.44276 
1 1 1    8   40    2 o  148.257   41.292 16978.50  5154.84   0.0000   0.0000 16978.50  5154.84  ?   ?   148.257   41.292 0.000000 41.29180 
1 1 1    8   40    3 o  124.475   40.104 12551.86  4608.22   0.0000   0.0000 12551.86  4608.22  ?   ?   124.475   40.104 0.000000 40.10390 
1 1 1    8   40    4 o   69.759   30.722  2626.73  3380.78   0.0000   0.0000  2626.73  3380.78  ?   ?    69.759   30.722 0.000000 30.72218 
1 1 1    8   40    5 o   73.213   32.241  3586.72  3722.78   0.0000   0.0000  3586.72  3722.78  ?   ?    73.213   32.241 0.000000 32.24125 
1 1 1    8   40    6 o   60.455   28.262  901.058  3444.97   0.0000   0.0000  901.058  3444.97  ?   ?    60.455   28.262 0.000000 28.26227 
1 1 1    8   40    7 o   60.284   27.001  1705.75  2725.36   0.0000   0.0000  1705.75  2725.36  ?   ?    60.284   27.001 0.000000 27.00098 
1 1 1    8   40    8 o   41.844   20.757 -3284.1570  2682.70   0.0000   0.0000 -3284.1570  2682.70  ?   ?    41.844   20.757 0.000000 20.75743 
1 1 1    8   42    0 o   71.859   33.331  5435.74  4645.02   0.0000   0.0000  5435.74  4645.02  ?   ?    71.859   33.331 0.000000 33.33060 
1 1 1    8   42    1 o   53.731   26.423 -1256.7100  4027.48   0.0000   0.0000 -1256.7100  4027.48  ?   ?    53.731   26.423 0.000000 26.42305 
1 1 1    8   42    2 o   58.965   28.623  939.970  4297.47   0.0000   0.0000  939.970  4297.47  ?   ?    58.965   28.623 0.000000 28.62282 
1 1 1    9    1    0 o  656.172   47.020 183453.80 24885.83   0.0000   0.0000 183453.80 24885.83  ?   ?   656.172   47.020 0.000000 47.02019 
1 1 1    9    1    1 o  379.232   13.039 58584.24  4015.01 56624.68  5673.98 60549.47  5682.18  371.685   18.863  384.930   18.180 -13.24448 26.19753 
1 1 1    9    1    2 o  130.407   5.7403  6908.48  607.814  6971.61  861.128  6845.80  858.037  130.706   8.1547  129.512   8.2017 1.193451 11.56577 
1 1 1    9    1    3 o  568.499   19.338 132056.70  8926.58 134244.41 12627.59 129871.40 12620.58  571.395   27.217  561.895   27.662 9.500366 38.80695 
1 1 1    9    1    4 o  170.574   6.8113 11819.97  943.366 12033.42  1339.28 11609.78  1329.03  171.780   9.6409  168.712   9.7432 3.068695 13.70683 
1 1 1    9    1    5 o  779.958   26.377 248760.30 16704.64 250340.91 23629.29 247181.20 23618.57  779.631   37.327  774.628   37.551 5.002319 52.94703 
1 1 1    9    1    6 o  499.292   17.082 101440.30  6925.37 98858.70  9798.48 104017.10  9789.43  492.302   24.513  505.044   23.872 -12.74191 34.21607 
1 1 1    9    1    7 o  694.481   23.493 196515.80 13247.44 196938.30 18739.00 196093.80 18730.42  693.972   33.256  692.474   33.312 1.498108 47.07074 
1 1 1    9    1    8 o  908.446   35.424 337495.41 26129.85 302438.00 45264.48 355016.81 32000.19  849.989   66.105  930.278   42.364 -80.28937 78.51522 
1 1 1    9    1    9 o  501.717   17.149 102375.30  6986.26 102210.20  9884.50 102540.00  9875.63  500.866   24.305  501.678   24.244 -0.8121033 34.32922 
1 1 1    9    1   10 o  1042.66   35.160 445600.59 29766.82 445022.69 42100.72 446178.31 42092.58  1036.95   50.002  1038.33   49.927 -1.375488 70.66047 
1 1 1    9    1   11 o  516.741   17.667 108824.00  7412.48 107482.60 10485.68 110164.00 10479.98  512.531   25.196  518.936   24.872 -6.405212 35.40437 
1 1 1    9    1   12 o  201.808   11.544 16627.63  1883.84 14764.52  2670.50 18473.12  2657.84  189.380   17.567  212.294   15.527 -22.91313 23.44499 
1 1 1    9    1   13 o  597.654   20.462 146302.09  9929.53 150120.30 14044.24 142485.80 14040.71  602.843   28.692  586.293   29.590 16.54932 41.21605 
1 1 1    9    1   14 o  149.260   6.9951  9055.62  847.760  9100.07  1192.14  9010.15  1205.80  149.210   9.8961  148.450   10.063 0.7599030 14.11378 
1 1 1    9    1   15 o  459.260   15.991 86273.17  5963.28 85817.23  8431.79 86729.45  8434.90  456.304   22.758  458.757   22.644 -2.452942 32.10411 
1 1 1    9    1   16 o  425.526   15.088 74101.81  5213.14 74980.38  7373.15 73223.55  7371.85  426.362   21.298  420.700   21.654 5.662170 30.37270 
1 1 1    9    1   17 o  103.280   7.5523  4364.29  628.944  5220.55  903.800  3560.29  875.784  112.719   9.9781   92.611   11.923 20.10736 15.54771 
1 1 1    9    1   18 o  247.593   9.7315 25030.31  1956.40 26363.08  2776.21 23715.51  2757.43  253.071   13.560  239.822   14.224 13.24922 19.65170 
1 1 1    9    1   19 o  294.251   11.075 35551.91  2646.05 35457.09  3742.69 35646.66  3741.46  291.738   15.859  292.543   15.810 -0.8045349 22.39358 
1 1 1    9    1   20 o   58.261   10.941  1443.08  498.588  993.400  660.610  2038.27  760.013   48.760   15.118   68.799   14.079 -20.03942 20.65852 
1 1 1    9    1   21 o  223.152   9.6178 20528.71  1742.66 19400.24  2433.32 21716.92  2496.91  214.686   14.036  227.441   13.583 -12.75514 19.53220 
1 1 1    9    1   22 o  189.204   9.3971 14807.27  1443.65 15347.74  2043.64 14268.92  2039.63  190.460   13.298  183.329   13.803 7.131516 19.16701 
1 1 1    9    1   23 o  149.199   9.6230  9304.52  1159.56  9660.23  1656.23  8962.53  1623.97  149.837   13.767  144.114   14.057 5.722504 19.67596 
1 1 1    9    1   24 o  109.888   9.8464  5114.87  869.232  4606.30  1219.65  5639.81  1239.14  101.369   15.294  113.298   13.752 -11.92825 20.56712 
1 1 1    9    1   25 o   84.319   12.750  3181.77  845.672  4344.38  1168.58  1903.42  1225.36   96.883   15.368   61.409   20.720 35.47373 25.79681 
1 1 1    9    1   26 o   33.141   13.964  225.252  641.227  1063.43  878.435 -730.8059  938.174   47.240   17.396   30.279   14.337 16.96076 22.54325 
1 1 1    9    3    0 o  188.092   7.6941 14379.99  1175.08 14737.06  1670.79 14030.48  1652.99  189.992   10.876  185.350   11.033 4.642059 15.49236 
1 1 1    9    3    4 o  608.876   20.711 151331.00 10239.10 152542.50 14485.55 150121.30 14474.99  609.664   29.262  604.758   29.478 4.906067 41.53585 
1 1 1    9    3    5 o  632.380   21.471 163058.59 11024.68 158828.30 15597.57 167282.09 15584.95  622.694   30.849  639.200   30.028 -16.50586 43.05076 
1 1 1    9    3    6 o  442.338   15.316 79576.28  5501.05 78357.66  7787.56 80789.97  7771.79  438.536   21.870  445.318   21.494 -6.781647 30.66428 
1 1 1    9    3    7 o  486.532   16.690 96272.63  6593.45 95990.48  9332.88 96553.76  9316.23  485.382   23.681  486.812   23.569 -1.430237 33.41064 
1 1 1    9    3    8 o  521.888   20.505 110844.90  8688.92 117435.10 15052.66 107551.80 10640.65  534.844   34.852  513.736   25.509 21.10797 43.18980 
1 1 1    9    3    9 o  1343.90   45.001 742408.88 49105.20 746884.19 69452.88 737935.62 69437.60  1339.57   63.854  1331.33   64.235 8.244995 90.57262 
1 1 1    9    3   10 o  391.180   13.597 62219.08  4318.77 62856.11  6113.13 61584.32  6102.20  392.883   19.163  388.878   19.326 4.005005 27.21582 
1 1 1    9    3   11 o  171.177   7.1246 11903.79  990.250 12058.15  1404.19 11751.07  1396.69  171.929   10.103  169.713   10.183 2.216675 14.34422 
1 1 1    9    3   12 o  396.824   19.834 64395.23  6390.61 62698.36  9058.40 66076.68  9017.12  388.970   28.887  399.615   27.966 -10.64539 40.20692 
1 1 1    9    3   13 o  143.116   6.8405  8323.84  794.909  7211.22  1124.53  9435.03  1123.81  132.703   10.523  152.036   9.1461 -19.33224 13.94197 
1 1 1    9    3   14 o  577.904   19.914 136941.09  9344.23 130038.10 13217.07 143839.20 13212.41  559.265   29.207  589.603   27.598 -30.33795 40.18370 
1 1 1    9    3   15 o  405.672   14.391 67226.36  4740.30 66832.82  6703.83 67619.90  6703.77  402.687   20.572  405.094   20.447 -2.406769 29.00470 
1 1 1    9    3   16 o  148.544   7.3896  8975.74  891.288 10220.47  1255.23  7710.01  1265.78  158.089   9.8274  137.010   11.484 21.08000 15.11487 
1 1 1    9    3   17 f  600.975   21.137 149539.09 10314.35 145245.50 14586.74 153832.80 14586.65  585.216   30.806  603.805   29.752 -18.58966 42.82768 
1 1 1    9    3   18 o  166.542   7.8079 11303.47  1055.83 11037.75  1496.68 11566.71  1489.69  163.848   11.319  167.805   10.994 -3.956604 15.77963 
1 1 1    9    3   19 o  253.343   10.106 26312.08  2078.92 27721.29  2935.96 24895.00  2944.14  258.518   14.040  244.619   14.894 13.89908 20.46778 
1 1 1    9    3   20 o  251.604   10.200 26052.32  2083.89 25649.36  2925.84 26467.19  2968.76  247.499   14.624  251.437   14.604 -3.937622 20.66771 
1 1 1    9    3   21 o  175.975   9.1223 12782.46  1298.97 11613.78  1766.53 14158.24  1916.68  166.217   13.198  183.739   12.930 -17.52220 18.47577 
1 1 1    9    3   22 o  140.569   9.2044  8202.50  1044.77  8185.59  1426.53  8222.07  1534.43  139.027   12.780  138.875   13.790 0.1521606 18.80145 
1 1 1    9    3   23 o   46.218   15.042  907.016  647.226  923.013  897.770  889.704  933.930   48.619   17.635   48.498   17.923 0.1214142 25.14425 
1 1 1    9    3   24 o   26.197   11.860 -247.7012  542.127   20.547  699.538 -651.0651  857.812   33.028   14.266   30.428   14.184 2.600195 20.11747 
1 1 1    9    3   25 o   49.329   16.870  1118.18  812.459  1248.75  1054.78  927.696  1274.00   52.203   19.087   49.830   20.206 2.373569 27.79564 
1 1 1    9    3   26 o   53.583   15.521  1428.20  714.250  1642.35  928.748  1118.20  1117.42   56.007   18.000   48.751   19.203 7.255829 26.32019 
1 1 1    9    5    2 o  748.583   36.482 232257.70 22174.48 232953.80 31368.91 231562.50 31349.99  740.002   52.549  737.693   52.685 2.308777 74.41169 
1 1 1    9    5    3 o  891.252   43.415 330644.41 31418.20 330513.19 44446.88 330775.41 44417.21  877.458   62.800  877.863   62.727 -0.4049683 88.76094 
1 1 1    9    5    4 o  868.995   33.569 310202.00 23686.06 344998.81 41079.57 292872.19 28990.30  905.419   56.155  840.358   42.626 65.06171 70.50045 
1 1 1    9    5    5 o  485.656   16.409 95966.57  6470.72 97867.81  9154.71 94068.42  9147.26  489.923   23.013  480.279   23.456 9.644165 32.86041 
1 1 1    9    5    6 o  627.260   21.215 160230.80 10804.96 162017.70 15285.86 158446.41 15275.18  629.792   29.892  622.772   30.208 7.020142 42.49754 
1 1 1    9    5    7 o  933.117   36.355 356321.69 27545.06 328821.69 47696.98 370082.50 33740.09  885.765   66.810  949.272   43.774 -63.50690 79.87344 
1 1 1    9    5    8 o  836.606   28.008 285441.59 19026.04 281501.31 26914.06 289377.59 26899.70  828.868   39.990  840.493   39.416 -11.62555 56.15041 
1 1 1    9    5    9 f  702.224   23.659 200939.70 13489.87 202341.30 19085.26 199540.30 19069.86  703.379   33.417  698.461   33.625 4.917358 47.40650 
1 1 1    9    5   10 o  159.699   6.8190 10358.73  884.225  9303.76  1259.19 11385.01  1241.95  150.953   10.336  167.141   9.1865 -16.18854 13.82812 
1 1 1    9    5   11 o  346.587   13.722 48902.44  3861.73 48995.18  4732.41 48717.60  6680.88  346.677   16.812  344.132   24.061 2.544708 29.35247 
1 1 1    9    5   12 o  309.472   13.025 39010.50  3272.87 37171.42  5724.42 39903.61  3989.18  300.050   23.689  312.362   15.780 -12.31155 28.46337 
1 1 1    9    5   13 o  314.671   11.488 40318.10  2935.21 39315.75  4158.48 41313.27  4143.58  309.806   16.592  317.677   16.117 -7.871704 23.13068 
1 1 1    9    5   14 o  344.605   12.420 48405.62  3475.20 46985.26  4922.96 49816.44  4906.42  338.302   17.986  348.931   17.318 -10.62866 24.96825 
1 1 1    9    5   15 o  347.651   12.480 49304.51  3522.89 47887.89  4988.63 50713.75  4975.63  341.260   18.068  351.784   17.419 -10.52362 25.09752 
1 1 1    9    5   16 f  408.568   14.364 68288.89  4765.15 63164.92  6745.12 73394.14  6732.78  390.599   21.349  422.172   19.641 -31.57318 29.00921 
1 1 1    9    5   17 o  298.607   11.130 36409.66  2698.67 35836.40  3815.19 36983.70  3817.80  294.928   15.991  299.692   15.744 -4.763489 22.44128 
1 1 1    9    5   18 o   22.371   10.078 -197.8251  385.811  265.801  496.514 -904.3527  612.933   32.836   12.841   23.191   11.146 9.644432 17.00371 
1 1 1    9    5   19 o  240.649   9.7800 23739.93  1911.01 22995.68  2700.17 24486.85  2704.99  235.193   14.206  242.893   13.772 -7.700134 19.78598 
1 1 1    9    5   20 o   80.820   9.2542  2716.56  596.340  1901.00  801.080  3730.26  893.110   66.128   15.233   94.235   11.940 -28.10690 19.35500 
1 1 1    9    5   21 o  193.295   9.1206 15390.96  1431.47 15270.78  1998.44 15517.59  2051.40  190.733   12.981  192.154   13.229 -1.421173 18.53413 
1 1 1    9    5   22 f  194.186   9.5538 15622.97  1506.37 15758.68  2130.05 15487.20  2130.61  192.564   13.713  190.807   13.846 1.756958 19.48746 
1 1 1    9    5   23 o  168.154   9.8443 11841.75  1338.23 13984.86  1888.51  9680.21  1896.62  180.818   12.949  148.289   16.006 32.52895 20.58754 
1 1 1    9    5   24 o   47.409   14.857  999.602  636.082  683.677  801.870  1535.78  1044.64   43.357   16.483   57.576   19.128 -14.21914 25.25011 
1 1 1    9    5   25 o   26.648   12.104 -242.5915  570.297 -331.2272  625.421  194.775  1389.28   27.173   12.468   44.359   19.607 -17.18585 23.23557 
1 1 1    9    7    0 o  896.630   43.903 335292.91 31962.91 321506.69 45215.57 349062.91 45189.21  862.434   65.048  901.159   62.138 -38.72443 89.95737 
1 1 1    9    7    1 o  915.879   44.716 349683.59 33253.41 345866.00 47033.26 353499.31 47021.58  895.926   65.099  906.429   64.306 -10.50262 91.50484 
1 1 1    9    7    2 o  517.741   25.414 109652.40 10683.87 104989.30 15125.03 114296.10 15093.56  503.122   37.290  525.545   35.580 -22.42294 51.54090 
1 1 1    9    7    3 o  365.609   14.178 54375.56  4208.83 57558.23  7369.39 52834.89  5127.32  374.656   24.357  360.204   17.531 14.45187 30.01002 
1 1 1    9    7    4 o  1263.55   61.418 668286.31 63012.41 690224.38 89139.26 646373.88 89086.78  1262.29   87.511  1218.57   90.687 43.71960 126.0253 
1 1 1    9    7    5 o  660.370   22.312 177667.50 11963.73 176125.91 16917.31 179209.80 16921.22  656.322   31.745  662.082   31.476 -5.760559 44.70454 
1 1 1    9    7    6 o  602.462   19.239 147699.30  9411.33 159250.30 13311.88 136156.20 13307.37  624.953   26.233  577.654   28.372 47.29987 38.64123 
1 1 1    9    7    7 o  636.441   21.077 164869.00 10891.81 179462.50 15404.40 150279.50 15402.30  663.297   28.602  605.882   31.416 57.41467 42.48594 
1 1 1    9    7    8 o  328.045   12.839 43733.05  3419.69 46579.89  4191.02 38061.92  5915.25  338.484   15.249  304.709   24.105 33.77509 28.52357 
1 1 1    9    7    9 o  248.842   9.1613 25155.54  1851.04 24597.55  2619.91 25711.71  2615.64  245.629   13.184  251.170   12.869 -5.541122 18.42359 
1 1 1    9    7   10 o  116.365   5.9599  5514.06  561.231  6283.34  796.651  4756.08  790.783  124.106   7.9474  107.799   9.1201 16.30743 12.09696 
1 1 1    9    7   11 o  447.912   17.776 81886.04  6464.82 78845.43  7918.23 87965.06 11196.06  438.291   22.324  461.028   30.074 -22.73679 37.45356 
1 1 1    9    7   12 o  541.361   21.293 120085.80  9359.60 136554.91 16294.05 111975.80 11434.19  571.725   35.272  520.593   27.144 51.13196 44.50742 
1 1 1    9    7   13 f  760.593   25.996 238594.80 16054.64 232857.00 22714.04 244323.20 22695.35  744.133   37.716  763.828   36.593 -19.69489 52.55077 
1 1 1    9    7   14 o  473.834   16.442 91829.97  6325.70 95271.61  8957.20 88405.65  8934.62  480.952   22.937  462.438   23.876 18.51483 33.10855 
1 1 1    9    7   15 o  527.499   18.308 114204.80  7841.63 113895.10 11100.30 114513.30 11079.20  523.862   26.096  525.335   25.974 -1.473572 36.81918 
1 1 1    9    7   16 o  162.578   7.7793 10756.26  1026.93 11185.91  1454.76 10329.51  1449.85  165.251   10.903  158.714   11.325 6.536835 15.72043 
1 1 1    9    7   17 o  239.963   9.6757 23488.46  1885.23 25544.41  2667.91 21438.04  2664.32  249.393   13.222  228.143   14.457 21.24985 19.59193 
1 1 1    9    7   18 o  325.064   11.798 43349.80  3114.08 45248.73  4428.63 41492.57  4379.73  330.467   16.505  315.771   17.146 14.69653 23.79900 
1 1 1    9    7   19 o  227.721   9.4180 21259.25  1741.42 21847.27  2447.44 20656.29  2478.32  229.425   13.194  222.848   13.764 6.576492 19.06614 
1 1 1    9    7   20 o   43.158   11.607  797.191  415.582  718.535  496.565  981.094  759.285   41.731   13.135   49.198   16.306 -7.466835 20.93785 
1 1 1    9    7   21 o   68.500   10.816  1990.39  581.595  1350.03  705.610  3347.26  1027.13   55.570   15.200   87.933   14.919 -32.36344 21.29791 
1 1 1    9    7   22 o  160.711   9.1651 10726.95  1191.02 11395.72  1639.63  9979.88  1732.96  164.163   12.392  152.652   14.142 11.51114 18.80315 
1 1 1    9    7   23 o   29.020   12.099  104.499  473.672 -11.2467  550.798  433.171  928.156   29.369   12.672   42.317   17.215 -12.94818 21.37595 
1 1 1    9    7   24 o   66.394   20.723  2168.82  1239.01   0.0000   0.0000  2168.82  1239.01  ?   ?    66.394   20.723 0.000000 20.72345 
1 1 1    9    7   25 o   64.752   13.497  1938.69  686.627  2107.81  786.579  1397.22  1407.46   66.762   14.889   54.746   21.556 12.01585 26.19814 
1 1 1    9    9    0 o  605.765   24.046 149794.59 11827.29 150038.09 20512.47 149673.30 14475.89  601.428   42.273  604.689   29.483 -3.260559 51.53910 
1 1 1    9    9    1 o  778.320   30.680 248054.50 19388.72 259681.20 33565.21 242232.30 23752.27  788.175   52.753  767.353   38.122 20.82147 65.08522 
1 1 1    9    9    2 o  937.978   45.383 363360.09 34564.28 355983.31 48891.09 370731.00 48871.45  917.627   66.060  937.325   64.608 -19.69745 92.40222 
1 1 1    9    9    3 o  655.579   31.834 175839.50 16945.37 169406.41 23986.35 182249.09 23942.46  639.076   46.544  663.513   44.701 -24.43695 64.53352 
1 1 1    9    9    4 o  638.898   25.268 166446.91 13108.08 159199.70 22801.72 170024.09 16019.79  620.181   45.600  645.071   30.585 -24.89069 54.90754 
1 1 1    9    9    5 o  536.845   28.657 117936.70 12446.61   0.0000   0.0000 117936.70 12446.61  ?   ?   536.845   28.657 0.000000 28.65743 
1 1 1    9    9    6 o  896.549   33.811 328496.50 24613.20 378386.19 42727.39 303719.31 30111.09  955.445   55.313  859.209   43.300 96.23529 70.24506 
1 1 1    9    9    7 o  801.708   27.195 262091.30 17702.84 269677.31 25038.07 254508.20 25033.13  811.532   37.998  788.177   39.116 23.35522 54.53324 
1 1 1    9    9    8 o  876.735   33.971 314609.59 24183.53 331556.81 29614.87 280689.31 41897.84  898.486   40.594  817.630   63.610 80.85657 75.45958 
1 1 1    9    9    9 o  245.546   9.0790 24498.22  1810.14 25371.61  2561.87 23627.49  2557.98  249.465   12.689  240.677   13.139 8.787933 18.26640 
1 1 1    9    9   10 o  553.079   21.240 125015.20  9538.42 119464.20 11684.94 136101.30 16513.09  539.634   26.668  572.595   35.695 -32.96112 44.55696 
1 1 1    9    9   11 o  243.275   9.0176 24064.79  1781.26 24178.29  2521.89 23951.79  2516.29  243.320   12.810  242.172   12.843 1.148758 18.13898 
1 1 1    9    9   12 o  378.556   15.569 58487.69  4785.44 58296.34  8407.37 58579.40  5820.27  374.797   27.825  377.894   19.030 -3.097382 33.70993 
1 1 1    9    9   13 o  595.380   20.019 145367.20  9677.71 145556.09 13695.33 145178.91 13677.39  592.746   28.455  591.978   28.455 0.7683105 40.24180 
1 1 1    9    9   14 o  585.583   20.133 140885.59  9572.52 144079.09 13548.72 137702.59 13526.50  588.765   28.341  574.557   29.089 14.20746 40.61285 
1 1 1    9    9   15 o  336.304   12.403 46164.65  3386.81 45886.56  4801.27 46440.07  4778.15  333.890   17.774  335.953   17.577 -2.063751 24.99749 
1 1 1    9    9   16 o  371.283   13.181 56378.93  3973.80 59169.20  5634.82 53618.22  5604.90  379.070   18.307  360.100   19.239 18.96954 26.55729 
1 1 1    9    9   17 f  390.131   14.033 62492.63  4445.37 63589.03  6299.29 61404.94  6274.19  390.851   19.915  383.928   20.198 6.922607 28.36472 
1 1 1    9    9   18 o  161.540   7.8276 10650.53  1026.70 11269.74  1470.05 10060.86  1434.56  165.388   11.010  156.142   11.394 9.245941 15.84406 
1 1 1    9    9   19 f   85.851   8.2120  3043.65  565.462  3738.62  744.541  2096.41  869.229   94.923   9.8011   69.503   15.765 25.41969 18.56327 
1 1 1    9    9   20 o  192.460   9.1119 15233.38  1423.94 15031.17  1997.77 15442.18  2030.11  189.489   13.064  192.059   13.096 -2.570358 18.49827 
1 1 1    9    9   21 o   87.722   9.2797  3210.94  650.933  2607.24  805.673  4345.82  1104.65   77.828   13.222  100.724   13.875 -22.89610 19.16630 
1 1 1    9    9   22 o  101.012   12.727  4371.31  1020.69  4280.29  2507.15  4389.40  1117.48   91.599   29.588  100.664   14.055 -9.065048 32.75676 
1 1 1    9    9   23 o   94.373   18.274  4114.31  1349.71  5481.49  2759.11  3684.24  1547.50   98.816   30.938   86.987   21.919 11.82896 37.91597 
1 1 1    9    9   24 o   27.532   11.818   23.907  474.255   79.147  517.768 -263.9256  1181.89   29.413   12.478   38.915   17.575 -9.501656 21.55429 
1 1 1    9    9   25 o   74.335   12.213  2504.21  711.557  2965.42  783.560  335.060  1699.29   80.943   12.310   47.469   21.287 33.47459 24.58986 
1 1 1    9   11    0 o  825.243   39.910 279649.31 26742.57   0.0000   0.0000 279649.31 26742.57  ?   ?   825.243   39.910 0.000000 39.91012 
1 1 1    9   11    1 o  1418.03   69.377 843950.62 79879.98 854777.88 112939.70 833112.62 112995.00  1399.85  100.022  1380.50  101.518 19.35339 142.5144 
1 1 1    9   11    3 o  615.833   29.819 154843.00 14910.49 162531.41 21114.71 147195.30 21058.64  627.924   41.650  596.956   43.751 30.96729 60.40546 
1 1 1    9   11    4 o  740.577   51.459 227236.59 30751.25   0.0000   0.0000 227236.59 30751.25  ?   ?   740.577   51.459 0.000000 51.45872 
1 1 1    9   11    5 o  274.632   9.3948 30636.05  2094.97 37432.55  3007.45 24229.22  2919.96  303.517   12.203  243.690   14.828 59.82639 19.20360 
1 1 1    9   11    6 o  994.311   36.053 404542.69 29107.14 485954.41 50544.64 364148.81 35603.27  1081.73   57.755  940.899   46.602 140.8271 74.21240 
1 1 1    9   11    7 o  959.178   45.861 379083.31 35717.67 399232.50 50574.41 359032.59 50450.64  975.570   64.205  923.247   67.773 52.32269 93.35647 
1 1 1    9   11    8 o  242.531   10.846 23907.60  2135.85 23952.29  3828.96 23887.41  2573.42  241.651   19.685  242.009   13.145 -0.3575897 23.67100 
1 1 1    9   11    9 o  535.359   19.826 116989.50  8618.18 117946.60 10567.35 115088.50 14892.60  536.827   24.243  526.889   35.010 9.937988 42.58449 
1 1 1    9   11   10 o  509.686   16.770 106008.30  6940.07 99969.37  9820.70 112032.60  9808.80  493.525   24.507  522.769   23.108 -29.24368 33.68381 
1 1 1    9   11   11 o  141.299   6.6185  8113.13  759.343  7655.95  1068.60  8579.43  1079.22  136.849   9.6794  144.949   9.2176 -8.100525 13.36617 
1 1 1    9   11   12 o  119.390   6.7619  5811.70  652.814  6453.40  916.133  5149.76  930.470  125.632   9.0413  112.009   10.348 13.62289 13.74125 
1 1 1    9   11   13 o   98.140   6.0951  3929.29  483.292  2983.55  675.967  4918.26  691.246   85.031   9.9804  109.697   7.8117 -24.66603 12.67406 
1 1 1    9   11   14 o  408.343   14.285 68142.70  4736.46 65165.84  6709.25 71100.33  6687.55  397.325   20.870  415.854   19.806 -18.52988 28.77150 
1 1 1    9   11   15 o  434.857   15.120 77443.77  5338.58 76785.94  7560.23 78098.01  7539.60  430.516   21.697  434.816   21.355 -4.300476 30.44369 
1 1 1    9   11   16 o  291.286   10.578 34632.66  2501.81 34388.04  3546.87 34874.88  3529.37  289.054   15.165  291.146   14.980 -2.091736 21.31650 
1 1 1    9   11   17 o  269.055   10.437 29610.37  2280.19 32774.23  3246.16 26528.88  3203.62  281.818   14.232  253.029   15.670 28.78882 21.16855 
1 1 1    9   11   18 o  297.845   11.401 36489.82  2757.29 40813.05  3928.50 32292.35  3870.94  313.300   15.443  277.380   17.273 35.91965 23.16963 
1 1 1    9   11   19 o   89.550   8.4397  3315.13  606.428  3382.66  760.251  3197.01  1005.52   90.008   10.606   86.343   14.880 3.665489 18.27289 
1 1 1    9   11   20 o   61.374   16.471  1655.39  837.915  5578.85  2398.19  1109.82  894.276  108.557   27.249   52.285   17.700 56.27196 32.49315 
1 1 1    9   11   21 o  153.582   14.937 10117.49  1839.13 11790.75  3487.09  9472.69  2164.68  155.826   28.615  146.453   18.625 9.372635 34.14230 
1 1 1    9   11   22 o  107.923   10.154  4902.93  879.361  6547.67  1010.39 -233.5561  1785.55  124.886   10.049   49.144   21.944 75.74203 24.13591 
1 1 1    9   11   23 o   41.516   12.799  748.069  474.237  750.801  526.818  736.398  1088.95   41.886   13.566   47.543   18.884 -5.656639 23.25178 
1 1 1    9   11   24 o  132.275   10.116  7510.14  1078.22  7935.41  1405.25  6901.40  1681.27  133.590   13.125  120.419   17.725 13.17098 22.05538 
1 1 1    9   11   25 o   79.501   12.788  2912.81  797.524  2912.81  797.524   0.0000   0.0000   79.501   12.788  ?   ?  0.000000 12.78825 
1 1 1    9   13    0 o  842.247   40.668 290890.00 27811.71   0.0000   0.0000 290890.00 27811.71  ?   ?   842.247   40.668 0.000000 40.66774 
1 1 1    9   13    1 o  1040.37   50.464 446123.09 42629.04   0.0000   0.0000 446123.09 42629.04  ?   ?   1040.37   50.464 0.000000 50.46385 
1 1 1    9   13    2 o  883.809   61.589 325649.00 43921.42   0.0000   0.0000 325649.00 43921.42  ?   ?   883.809   61.589 0.000000 61.58894 
1 1 1    9   13    3 o  537.795   26.300 117894.60 11484.34 123285.60 16271.38 112543.10 16211.40  547.693   36.803  522.877   38.454 24.81665 53.22718 
1 1 1    9   13    4 o  215.092   12.561 18864.60  2184.29 19226.77  3142.63 18526.12  3038.12  216.664   18.027  212.680   17.755 3.983643 25.30280 
1 1 1    9   13    5 o  441.767   21.746 79474.98  7800.15 89810.77 11078.17 69313.07 10984.59  468.129   29.292  410.399   33.250 57.72980 44.31237 
1 1 1    9   13    6 o  855.629   41.130 301118.50 28574.88 313437.09 40469.36 288870.69 40352.86  865.693   57.908  829.906   60.295 35.78705 83.59924 
1 1 1    9   13    7 o  547.325   21.776 122217.80  9677.62 131972.30 16928.37 117482.20 11795.13  564.953   37.110  535.201   27.232 29.75140 46.02958 
1 1 1    9   13    8 o  298.927   16.379 36523.07  3960.34 31866.31  5766.93 40679.28  5448.19  277.684   25.875  314.805   21.442 -37.12189 33.60498 
1 1 1    9   13    9 o  708.956   27.765 206907.91 15982.93 222253.59 27854.68 199375.41 19515.23  723.756   47.666  692.390   34.824 31.36639 59.03125 
1 1 1    9   13   10 o  282.349   12.576 32470.97  2883.13 30027.53  5179.18 33568.18  3470.60  269.349   23.931  286.499   14.971 -17.15070 28.22784 
1 1 1    9   13   11 o  339.397   14.197 46984.13  3912.29 47967.52  6969.18 46531.62  4727.47  340.288   25.406  336.937   17.339 3.350342 30.75884 
1 1 1    9   13   12 o  178.660   8.2942 12982.35  1203.20 14625.83  1706.53 11357.79  1696.68  189.165   11.160  166.432   12.650 22.73299 16.86899 
1 1 1    9   13   13 o  362.731   12.972 53693.46  3820.61 54131.27  5417.53 53260.28  5388.90  362.799   18.451  359.847   18.506 2.951385 26.13302 
1 1 1    9   13   14 o  242.940   9.6202 24040.89  1897.68 23106.01  2684.78 24974.29  2682.68  237.326   13.994  246.864   13.434 -9.537552 19.39889 
1 1 1    9   13   15 o  407.766   14.240 68097.69  4714.77 64586.73  6681.93 71578.89  6653.56  394.603   20.929  416.411   19.679 -21.80765 28.72784 
1 1 1    9   13   16 o  234.905   9.4393 22518.13  1800.40 22093.65  2562.19 22932.13  2530.40  231.635   13.684  236.106   13.253 -4.470840 19.04929 
1 1 1    9   13   17 o  159.179   9.9297 10412.81  1276.99 16246.50  2974.22  9094.35  1413.96  196.244   18.899  148.326   11.839 47.91818 22.30103 
1 1 1    9   13   18 o  181.577   10.644 13609.38  1562.48 19974.56  3427.42 11939.50  1755.51  216.102   19.751  169.380   12.861 46.72150 23.56932 
1 1 1    9   13   19 o   74.300   8.8748  2298.90  524.818  1958.57  619.390  3165.16  988.188   67.862   11.661   85.811   14.712 -17.94930 18.77310 
1 1 1    9   13   20 o  151.845   9.6937  9564.31  1188.93  8569.10  1411.83 11990.96  2204.60  142.762   12.300  166.920   16.481 -24.15823 20.56484 
1 1 1    9   13   21 o  207.465   9.8438 17881.01  1658.23 19447.92  2331.44 16276.86  2358.98  213.871   13.495  194.519   15.053 19.35152 20.21627 
1 1 1    9   13   22 o  140.867   8.7936  8278.89  1000.78  8071.62  1327.10  8552.15  1523.84  137.508   12.006  140.677   13.507 -3.168579 18.07170 
1 1 1    9   13   23 o  131.526   9.2108  7302.63  977.458  6604.65  1289.47  8245.45  1498.66  122.658   13.152  136.762   13.679 -14.10432 18.97655 
1 1 1    9   13   24 o   35.378   12.280  519.755  431.118  617.728  456.713 -281.5695  1306.16   37.798   12.650   39.795   18.169 -1.997589 22.13933 
1 1 1    9   15    0 o  444.780   22.487 80773.91  8094.72   0.0000   0.0000 80773.91  8094.72  ?   ?   444.780   22.487 0.000000 22.48697 
1 1 1    9   15    1 o  1026.84   40.327 432470.91 33623.45 429923.69 58252.97 433743.41 41174.68  1010.60   71.451  1025.73   49.438 -15.12720 86.88676 
1 1 1    9   15    2 o  450.852   18.242 82702.53  6677.99 83616.91 11551.05 82243.48  8184.35  451.258   31.727  449.350   22.432 1.908051 38.85590 
1 1 1    9   15    3 o  1065.23   51.453 469202.91 44503.65 481132.00 62980.30 457306.00 62895.12  1066.62   73.163  1038.67   75.082 27.94971 104.8336 
1 1 1    9   15    4 o  519.982   25.412 110331.10 10729.19 122793.20 15225.61 98038.61 15121.67  546.339   34.499  487.086   38.550 59.25299 51.73268 
1 1 1    9   15    5 o  613.770   29.616 154243.30 14759.60 172320.50 20940.85 136397.70 20806.26  645.271   40.167  572.315   45.140 72.95551 60.42366 
1 1 1    9   15    6 o  402.977   17.853 66188.54  5841.46 56233.70 10325.04 70874.89  7084.22  367.801   34.995  416.158   21.033 -48.35672 40.82956 
1 1 1    9   15    7 o  724.346   40.610 219170.80 23788.06 166711.59 33864.57 270269.50 33422.57  615.201   68.982  797.700   51.884 -182.4988 86.31566 
1 1 1    9   15    8 o  218.606   8.9263 19430.56  1584.42 27435.98  2947.49 16177.23  1878.99  259.097   14.063  199.020   11.679 60.07722 18.28014 
1 1 1    9   15    9 o  192.937   9.8434 15182.42  1536.92 13490.53  2879.48 15856.43  1817.45  180.460   19.987  197.033   11.409 -16.57265 23.01416 
1 1 1    9   15   10 o  441.774   18.456 79860.91  6620.21 74493.34 11699.72 82388.91  8029.25  421.273   34.506  447.955   22.075 -26.68140 40.96342 
1 1 1    9   15   11 o  475.808   20.261 92903.19  7827.62 81229.52 13809.09 98429.88  9501.56  436.954   39.344  488.723   23.944 -51.76862 46.05671 
1 1 1    9   15   12 o  300.781   12.800 36910.09  3125.99 41407.60  5680.04 34956.03  3743.99  316.266   22.261  291.908   15.856 24.35867 27.33018 
1 1 1    9   15   13 o   74.205   9.1495  2275.69  539.597  4580.03  1325.43  1817.89  590.771  104.554   16.132   65.824   11.470 38.72978 19.79392 
1 1 1    9   15   14 o  668.496   27.598 187092.09 14979.87 176621.00 26267.20 192139.00 18236.00  624.026   52.324  672.752   33.384 -48.72632 62.06670 
1 1 1    9   15   15 o  356.476   15.218 52216.92  4404.75 53972.35  7984.32 51448.93  5281.11  356.508   27.802  352.369   18.523 4.138824 33.40752 
1 1 1    9   15   16 o  354.341   15.081 51843.23  4339.01 59747.13  7987.96 48534.96  5167.91  373.104   26.540  340.823   18.747 32.28159 32.49353 
1 1 1    9   15   17 o  159.667   9.8037 10493.25  1264.84 11838.59  1546.12  7771.06  2199.30  169.258   11.315  133.921   20.909 35.33772 23.77418 
1 1 1    9   15   18 o  198.373   10.167 16242.59  1632.11 16024.13  2014.66 16659.73  2783.93  196.127   12.720  197.787   17.516 -1.660110 21.64725 
1 1 1    9   15   19 o  180.123   9.3101 13401.77  1356.98 14703.22  1879.65 11985.16  1961.06  187.462   12.419  168.255   14.496 19.20680 19.08841 
1 1 1    9   15   20 o   86.796   8.4357  3132.90  586.999  2493.16  709.914  4515.70  1043.72   76.415   11.823  102.986   12.754 -26.57101 17.39153 
1 1 1    9   15   21 o   54.777   10.188  1289.52  436.441  1670.81  480.616 -503.2816  1042.17   62.660   9.7647   35.739   16.283 26.92102 18.98676 
1 1 1    9   15   22 o   58.436   10.396  1477.51  475.205  1010.84  545.031  2956.80  970.380   47.667   13.480   80.982   15.319 -33.31538 20.40526 
1 1 1    9   15   23 o  147.680   9.8978  9308.78  1179.99  9907.32  1596.49  8588.12  1751.82  149.522   13.288  136.539   16.112 12.98236 20.88471 
1 1 1    9   15   24 o   24.364   10.276   67.082  347.884  175.898  356.500 -2102.9690  1592.01   26.611   10.724   34.458   16.877 -7.846663 19.99634 
1 1 1    9   17    0 o  321.749   17.328 42266.88  4510.26   0.0000   0.0000 42266.88  4510.26  ?   ?   321.749   17.328 0.000000 17.32805 
1 1 1    9   17    1 o  545.713   22.137 121469.80  9808.81 124044.50 17030.70 120191.80 11998.76  547.578   38.550  541.488   27.379 6.090454 47.28376 
1 1 1    9   17    2 o  410.765   17.241 68711.65  5750.23 69826.19  9971.31 68156.33  7038.47  411.735   30.033  408.223   21.308 3.512451 36.82450 
1 1 1    9   17    3 o  131.245   10.687  7048.79  1128.97  8765.52  1690.97  5668.10  1516.46  146.052   14.449  116.840   16.439 29.21247 21.88631 
1 1 1    9   17    4 f  498.266   24.905 101633.30 10075.96 102761.50 14313.88 100525.20 14186.10  497.662   35.659  492.166   35.743 5.496368 50.48885 
1 1 1    9   17    5 o  690.540   49.769 202077.50 27718.05 202077.50 27718.05   0.0000   0.0000  690.540   49.769  ?   ?  0.000000 49.76877 
1 1 1    9   17    6 o  528.224   26.731 115039.20 11427.64 110941.90 16259.24 119039.00 16064.77  514.190   39.240  533.534   37.318 -19.34424 54.15169 
1 1 1    9   17    7 o  518.023   19.415 109769.80  8166.16 122340.00 14412.44 103826.10  9910.51  542.151   32.896  502.738   24.278 39.41238 40.88460 
1 1 1    9   17    8 o  252.453   13.543 26051.49  2765.92 15417.06  5066.47 30566.58  3301.27  189.787   34.133  273.325   14.932 -83.53819 37.25571 
1 1 1    9   17    9 f  187.997   10.718 14434.60  1629.32  7885.04  3113.41 16904.82  1912.05  135.492   29.163  203.398   11.626 -67.90591 31.39527 
1 1 1    9   17   10 o  274.001   11.884 30595.15  2643.85 33362.57  4898.00 29457.30  3140.69  284.154   21.386  268.229   14.474 15.92511 25.82335 
1 1 1    9   17   11 o  488.384   20.470 98065.77  8117.42 91663.82 14377.05 101061.60  9835.02  463.445   38.556  494.448   24.497 -31.00330 45.68029 
1 1 1    9   17   12 o  197.675   10.299 15965.08  1647.26 14884.50  3233.62 16343.77  1914.26  188.814   21.474  199.809   11.852 -10.99582 24.52754 
1 1 1    9   17   13 o  316.572   14.385 41025.49  3697.49 34786.91  6797.33 43647.21  4406.44  286.326   29.668  325.645   16.721 -39.31915 34.05571 
1 1 1    9   17   14 o  368.244   20.060 56318.36  5975.34 55148.80  8750.45 57340.20  8179.26  359.306   30.276  367.954   27.577 -8.648254 40.95270 
1 1 1    9   17   15 o  260.168   15.115 28004.27  3179.27 36199.05  5010.19 22480.06  4113.58  293.388   21.174  230.428   22.263 62.96042 30.72444 
1 1 1    9   17   16 o   72.636   15.597  2272.68  892.416  3168.57  2394.80  2128.21  961.683   86.310   28.966   70.055   17.064 16.25498 33.61908 
1 1 1    9   17   17 o  272.233   12.727 30709.29  2813.17 37591.59  5553.31 28333.49  3262.79  293.383   23.509  259.785   15.539 33.59772 28.18101 
1 1 1    9   17   18 o  120.050   11.884  6036.59  1143.17  6012.42  3021.67  6040.63  1234.96  111.049   31.855  119.766   12.903 -8.717430 34.36857 
1 1 1    9   17   19 o   64.686   16.791  1858.15  889.634 -1241.4189  2816.99  2201.53  937.619   57.200   26.326   70.422   16.658 -13.22171 31.15346 
1 1 1    9   17   20 o  169.793   11.813 12158.55  1618.50 15188.86  3843.23 11505.25  1784.46  176.449   27.740  164.215   13.503 12.23387 30.85218 
1 1 1    9   17   21 o   27.810   13.234 -935.3837  819.049 -4462.3701  2571.04 -537.0176  864.067   42.097   20.780   31.634   14.567 10.46320 25.37736 
1 1 1    9   17   22 o   85.164   19.581  3515.67  1325.75   0.0000   0.0000  3515.67  1325.75  ?   ?    85.164   19.581 0.000000 19.58128 
1 1 1    9   17   23 f  131.266   15.453  8015.15  1615.47   0.0000   0.0000  8015.15  1615.47  ?   ?   131.266   15.453 0.000000 15.45279 
1 1 1    9   19    0 o  579.970   29.178 138776.50 13696.49   0.0000   0.0000 138776.50 13696.49  ?   ?   579.970   29.178 0.000000 29.17796 
1 1 1    9   19    1 o  529.208   21.879 114598.00  9401.58 115582.10 16359.10 114112.60 11488.27  525.842   38.584  526.352   26.971 -0.5091553 47.07632 
1 1 1    9   19    2 o  907.425   45.708 347131.50 33569.36 385925.59 47437.96 308218.50 47510.59  942.196   62.360  833.675   70.858 108.5204 94.39143 
1 1 1    9   19    3 o  669.481   34.246 186329.91 18553.78 207469.50 26142.29 164874.59 26336.79  699.906   46.262  619.687   52.847 80.21912 70.23528 
1 1 1    9   19    4 o  333.276   18.279 45521.59  4927.64 41795.57  7058.21 49064.48  6882.57  317.343   27.669  344.727   24.754 -27.38449 37.12569 
1 1 1    9   19    5 o  212.128   13.314 18406.52  2281.63 19750.31  3322.09 17206.70  3139.09  218.971   18.869  204.226   19.154 14.74495 26.88699 
1 1 1    9   19    6 o  546.657   27.893 123678.30 12339.77 118386.70 17576.26 128821.70 17328.53  528.875   41.256  553.074   38.833 -24.19922 56.65718 
1 1 1    9   19    7 o  476.577   20.332 93100.87  7867.87 86685.40 13982.15 96073.53  9517.71  452.891   38.384  482.530   24.371 -29.63895 45.46721 
1 1 1    9   19    8 o  237.144   10.830 22899.63  2085.26 21401.83  3971.40 23469.75  2450.20  227.223   21.793  239.619   12.638 -12.39612 25.19222 
1 1 1    9   19    9 o  515.771   20.784 109314.50  8704.00 108532.90 15433.40 109679.00 10540.16  505.682   37.862  515.177   25.197 -9.494598 45.48042 
1 1 1    9   19   10 o  360.484   15.814 53172.85  4628.77 48255.49  8402.87 55314.99  5546.08  338.420   30.921  366.645   18.692 -28.22501 36.13172 
1 1 1    9   19   11 o  104.954   8.9752  4517.38  757.503  2084.44  1791.54  5047.03  835.899   73.553   25.052  110.932   9.3678 -37.37888 26.74611 
1 1 1    9   19   12 o  315.060   17.516 40925.99  4463.24 42412.20  6565.83 39649.29  6085.46  318.014   25.646  307.829   24.551 10.18497 35.50288 
1 1 1    9   19   13 o  422.123   22.560 74389.03  7704.46 73770.94 11188.96 74946.32 10624.44  413.536   33.613  418.314   31.511 -4.777435 46.07411 
1 1 1    9   19   14 o  263.292   12.562 28446.37  2685.50 31697.21  5435.72 27396.68  3088.79  272.776   24.813  257.441   14.839 15.33521 28.91222 
1 1 1    9   19   15 o   94.852   10.379  3732.27  786.320  3337.28  2311.61  3783.96  836.185   87.825   28.415   95.390   10.997 -7.565140 30.46909 
1 1 1    9   19   16 o  230.251   11.994 21959.67  2234.60 22234.20  4693.28 21879.20  2541.13  223.533   26.365  229.129   13.722 -5.596191 29.72242 
1 1 1    9   19   17 o  157.356   10.832 10277.26  1375.56 12710.17  3362.93  9788.42  1507.43  167.501   25.534  153.091   12.229 14.41013 28.31135 
1 1 1    9   19   18 o   53.548   16.739  1226.23  808.061  1482.40  3062.52  1207.06  837.749   73.825   30.770   53.374   17.089 20.45041 35.19728 
1 1 1    9   19   19 o   86.684   13.732  3249.74  934.310  570.934  3559.70  3447.94  968.256   70.877   31.354   89.317   13.796 -18.43948 34.25442 
1 1 1    9   19   20 o   38.622   16.676   37.628  955.096 -3718.0439  3664.91  311.281  989.280   55.072   26.662   42.023   17.500 13.04869 31.89182 
1 1 1    9   19   21 o   86.171   19.097  3525.67  1301.05   0.0000   0.0000  3525.67  1301.05  ?   ?    86.171   19.097 0.000000 19.09698 
1 1 1    9   19   22 o   49.472   18.706  1034.83  1029.22   0.0000   0.0000  1034.83  1029.22  ?   ?    49.472   18.706 0.000000 18.70616 
1 1 1    9   21    0 o  152.656   12.782  9559.80  1569.76   0.0000   0.0000  9559.80  1569.76  ?   ?   152.656   12.782 0.000000 12.78196 
1 1 1    9   21    1 o  204.516   13.877 17128.39  2290.74   0.0000   0.0000 17128.39  2290.74  ?   ?   204.516   13.877 0.000000 13.87680 
1 1 1    9   21    2 o  156.176   10.438  9969.73  1315.97  9300.05  2328.72 10283.92  1595.08  149.473   19.665  158.400   12.504 -8.926575 23.30318 
1 1 1    9   21    3 o  420.932   18.708 72494.30  6394.06 79612.74 11112.25 68970.84  7817.97  436.958   31.532  408.976   23.644 27.98251 39.41176 
1 1 1    9   21    4 o  453.132   23.662 84659.92  8675.64 84015.02 12406.87 85276.98 12136.03  447.613   34.400  451.408   33.347 -3.794220 47.90995 
1 1 1    9   21    5 o  302.924   17.074 37634.86  4182.58 40266.38  6054.46 35232.47  5784.88  311.846   24.098  291.443   24.677 20.40292 34.49189 
1 1 1    9   21    6 o  523.035   26.973 113438.80 11416.09 111173.20 16302.90 115618.60 15991.21  511.686   39.546  522.776   37.931 -11.09006 54.79665 
1 1 1    9   21    7 o  238.658   15.005 23359.47  2892.94 23136.96  4280.89 23546.50  3924.74  236.008   22.616  238.591   20.457 -2.582657 30.49549 
1 1 1    9   21    8 o  479.522   24.729 95332.45  9595.73 98305.13 13799.68 92549.45 13352.19  481.723   35.531  467.386   35.447 14.33673 50.18948 
1 1 1    9   21    9 o  174.924   13.328 12568.00  1878.71 12778.14  2931.66 12421.57  2447.25  174.905   21.067  173.141   17.655 1.763748 27.48628 
1 1 1    9   21   10 o  108.955   13.250  4921.40  1148.05  4603.67  1814.64  5133.46  1482.45  103.620   22.234  110.598   17.056 -6.977425 28.02246 
1 1 1    9   21   11 o  138.453   9.4375  7848.25  1054.63  6442.38  2324.47  8212.67  1183.45  122.410   24.244  141.525   10.371 -19.11546 26.36918 
1 1 1    9   21   12 f  121.375   9.3322  6043.63  912.669  2603.07  2269.52  6707.37  996.823   81.632   28.184  127.857   9.6734 -46.22488 29.79754 
1 1 1    9   21   13 o  118.956   9.5565  5818.70  915.259  8107.22  2542.04  5477.84  981.055  136.858   23.736  115.223   10.605 21.63545 25.99756 
1 1 1    9   21   14 o  163.956   10.567 11074.49  1399.29 14512.33  3626.22 10473.02  1516.77  182.213   25.183  159.129   11.823 23.08394 27.82015 
1 1 1    9   21   15 o  144.254   10.395  8602.32  1209.40  6140.57  3167.50  9022.45  1308.53  113.881   32.599  147.597   10.998 -33.71676 34.40387 
1 1 1    9   21   16 o  261.221   13.625 28541.58  2879.98 27680.73  5980.54 28801.49  3286.09  243.135   30.999  261.251   15.562 -18.11647 34.68596 
1 1 1    9   21   17 o   41.883   15.753  575.509  727.645  1723.36  2633.53  480.638  757.118   72.597   29.186   40.935   15.899 31.66249 33.23568 
1 1 1    9   21   18 o   53.415   17.776  1202.38  902.091 -6064.9771  3561.26  1700.65  932.503   49.888   24.594   61.736   17.692 -11.84826 30.29614 
1 1 1    9   21   19 o   74.309   17.685  2519.66  1051.62 -464.6119  3444.12  2826.49  1104.36   64.124   29.363   78.777   17.697 -14.65282 34.28365 
1 1 1    9   21   20 o   93.948   17.414  4051.78  1279.49   0.0000   0.0000  4051.78  1279.49  ?   ?    93.948   17.414 0.000000 17.41430 
1 1 1    9   21   21 o   31.723   14.879 -752.2339  968.283   0.0000   0.0000 -752.2339  968.283  ?   ?    31.723   14.879 0.000000 14.87894 
1 1 1    9   21   22 o   30.680   14.676 -1037.7939  1035.18   0.0000   0.0000 -1037.7939  1035.18  ?   ?    30.680   14.676 0.000000 14.67611 
1 1 1    9   23    0 o  305.953   17.967 38447.48  4443.92   0.0000   0.0000 38447.48  4443.92  ?   ?   305.953   17.967 0.000000 17.96727 
1 1 1    9   23    1 o  474.441   25.167 93127.63  9660.58   0.0000   0.0000 93127.63  9660.58  ?   ?   474.441   25.167 0.000000 25.16741 
1 1 1    9   23    2 o  249.640   13.224 25487.30  2670.90 23502.93  4719.73 26422.16  3239.51  237.458   24.847  253.799   15.798 -16.34143 29.44405 
1 1 1    9   23    3 o  393.005   21.444 63665.63  6817.03 63669.13  9823.42 63662.38  9467.88  389.731   31.307  390.163   30.119 -0.4319763 43.44291 
1 1 1    9   23    4 o   71.659   16.021  2182.03  908.752  2305.67  1436.09  2099.45  1173.62   74.366   22.138   70.531   19.723 3.835297 29.64917 
1 1 1    9   23    5 f  211.961   14.711 18443.27  2516.12 17176.94  3772.24 19458.20  3377.11  202.793   23.335  216.888   19.381 -14.09502 30.33340 
1 1 1    9   23    6 o  438.429   23.678 79637.77  8397.88 74998.20 12091.76 83960.88 11672.13  420.052   35.794  446.351   32.427 -26.29858 48.29854 
1 1 1    9   23    7 o  181.823   13.780 13584.23  2019.34 16181.00  3142.57 11757.93  2635.45  197.360   19.881  167.974   19.697 29.38602 27.98627 
1 1 1    9   23    8 o  438.536   18.112 79025.74  6449.34 77138.73 11774.01 79834.62  7708.66  425.471   34.375  439.663   21.593 -14.19220 40.59444 
1 1 1    9   23    9 o  324.959   12.330 43139.95  3253.22 52735.15  6329.67 39695.39  3792.46  356.235   21.990  311.249   15.006 44.98599 26.62275 
1 1 1    9   23   10 o  248.477   11.819 25234.36  2384.56 25527.80  4889.57 25142.79  2731.39  246.001   24.818  247.385   13.651 -1.383179 28.32470 
1 1 1    9   23   11 o  231.305   11.343 21888.03  2130.42 21037.01  4395.14 22149.39  2435.70  222.375   24.762  232.057   12.979 -9.681992 27.95726 
1 1 1    9   23   12 o  265.176   13.870 29056.11  2975.96 21806.49  6081.19 31338.98  3412.50  219.242   35.364  274.890   15.350 -55.64783 38.55175 
1 1 1    9   23   13 o   25.777   11.460 -174.2726  481.470  1296.64  2163.23 -250.9351  493.858   67.615   26.692   25.252   11.387 42.36273 29.01895 
1 1 1    9   23   14 f   58.730   12.840  1482.81  595.209 -1435.8950  2954.16  1606.30  607.671   59.419   27.203   61.210   12.645 -1.790897 29.99852 
1 1 1    9   23   15 o  103.849   11.800  4524.24  977.350 11784.08  3459.55  3894.58  1018.85  159.799   27.665   95.777   13.474 64.02242 30.77134 
1 1 1    9   23   16 o  123.853   11.824  6439.21  1174.66  4163.80  3967.30  6657.86  1229.81   95.076   36.540  125.829   12.190 -30.75280 38.51949 
1 1 1    9   23   17 o   76.016   15.470  2546.72  922.362  3818.63  3976.62  2474.40  948.222   90.701   36.067   74.693   16.108 16.00797 39.50094 
1 1 1    9   23   18 o   80.072   15.074  2836.49  944.059 -1472.2040  3704.74  3135.71  976.289   62.575   29.271   84.410   14.783 -21.83537 32.79195 
1 1 1    9   23   19 o   35.637   15.445   8.2496  825.343 -4940.4658  4600.57  172.817  838.953   58.115   28.511   37.673   15.928 20.44186 32.65806 
1 1 1    9   23   20 o  109.762   16.090  5519.45  1391.41   0.0000   0.0000  5519.45  1391.41  ?   ?   109.762   16.090 0.000000 16.08996 
1 1 1    9   23   21 o   31.046   14.653 -778.4805  965.373   0.0000   0.0000 -778.4805  965.373  ?   ?    31.046   14.653 0.000000 14.65277 
1 1 1    9   25    0 o  276.143   25.044 31820.16  5554.28   0.0000   0.0000 31820.16  5554.28  ?   ?   276.143   25.044 0.000000 25.04416 
1 1 1    9   25    1 o  799.325   62.614 293088.59 40313.25   0.0000   0.0000 293088.59 40313.25  ?   ?   799.325   62.614 0.000000 62.61413 
1 1 1    9   25    2 f  419.884   32.877 74496.14 11119.26   0.0000   0.0000 74496.14 11119.26  ?   ?   419.884   32.877 0.000000 32.87693 
1 1 1    9   25    3 o  447.363   25.008 83193.71  9047.69 72967.14 13062.51 92624.45 12543.96  411.695   39.563  468.026   33.224 -56.33093 51.66359 
1 1 1    9   25    4 o  154.278   12.721  9782.53  1579.36 10453.98  2730.05  9444.78  1936.25  157.725   21.909  151.023   16.035 6.701309 27.15018 
1 1 1    9   25    5 o  214.921   13.802 18959.87  2395.78 17990.51  4124.28 19453.57  2943.30  206.732   25.084  217.145   16.825 -10.41310 30.20366 
1 1 1    9   25    6 o  307.963   18.830 39176.14  4685.99 36203.14  6907.84 41710.43  6377.82  292.363   29.503  315.754   25.083 -23.39053 38.72415 
1 1 1    9   25    7 o  467.326   24.954 91257.39  9434.56 95710.93 13697.44 87237.32 13013.78  471.485   36.053  450.132   35.905 21.35260 50.88179 
1 1 1    9   25    8 o  146.687   14.968  8918.78  1757.75  4388.20  2958.50 11390.61  2185.27  101.656   32.069  165.633   16.467 -63.97722 36.04934 
1 1 1    9   25    9 o  176.011   11.057 12714.65  1572.25 10669.32  3686.93 13169.27  1738.22  155.749   30.245  178.967   12.032 -23.21863 32.54987 
1 1 1    9   25   10 o  387.841   16.077 62208.76  5062.81 75519.92  9834.51 57409.02  5905.46  417.811   29.172  370.400   19.706 47.41074 35.20456 
1 1 1    9   25   11 f  194.339   10.958 15548.90  1722.15 20130.61  4392.73 14716.80  1872.01  215.055   25.663  188.712   12.284 26.34200 28.45171 
1 1 1    9   25   12 o   80.185   9.5755  2673.52  611.102  1800.43  2569.23  2725.88  629.158   74.847   29.226   80.938   9.7711 -6.091736 30.81653 
1 1 1    9   25   13 o  295.922   13.512 36423.09  3246.74 43540.93  6973.04 34452.82  3668.69  310.754   27.934  286.131   15.853 24.62323 32.11876 
1 1 1    9   25   14 f  107.808   10.869  4852.60  938.442  2170.69  3096.92  5123.76  984.742   79.516   31.762  110.743   11.101 -31.22665 33.64622 
1 1 1    9   25   15 o   64.787   14.718  1838.62  756.602 -26.2093  3844.47  1913.76  771.694   71.874   32.139   66.111   14.750 5.762360 35.36255 
1 1 1    9   25   16 o   82.370   14.226  2949.49  917.055 -2697.3579  3608.27  3339.43  948.190   59.002   27.990   87.948   13.726 -28.94622 31.17434 
1 1 1    9   25   17 o   36.604   15.348  169.200  768.535  5636.85  3523.04 -103.9919  787.501  100.035   35.082   33.974   14.898 66.06134 38.11414 
1 1 1    9   25   18 o   61.237   18.565  1736.94  1003.24 -9265.7266  5099.10  2180.00  1023.24   54.170   27.141   68.340   18.139 -14.16970 32.64408 
1 1 1    9   25   19 o   49.552   18.273  1026.20  969.713   0.0000   0.0000  1026.20  969.713  ?   ?    49.552   18.273 0.000000 18.27335 
1 1 1    9   25   20 o   60.183   19.131  1826.51  1051.33   0.0000   0.0000  1826.51  1051.33  ?   ?    60.183   19.131 0.000000 19.13071 
1 1 1    9   25   21 o   51.306   21.302  1224.66  1459.72   0.0000   0.0000  1224.66  1459.72  ?   ?    51.306   21.302 0.000000 21.30204 
1 1 1    9   27    0 o  523.977   28.341 115364.70 12012.85   0.0000   0.0000 115364.70 12012.85  ?   ?   523.977   28.341 0.000000 28.34087 
1 1 1    9   27    1 o   52.679   19.893  836.742  1162.99   0.0000   0.0000  836.742  1162.99  ?   ?    52.679   19.893 0.000000 19.89287 
1 1 1    9   27    2 o  235.152   17.328 22845.50  3285.24   0.0000   0.0000 22845.50  3285.24  ?   ?   235.152   17.328 0.000000 17.32807 
1 1 1    9   27    3 o  313.284   16.163 40393.54  4097.48 37184.98  7365.56 41831.52  4930.91  295.135   31.209  317.954   19.190 -22.81900 36.63694 
1 1 1    9   27    4 o  115.452   15.038  5555.67  1376.21  8024.95  2496.63  4477.89  1649.43  137.173   23.245  102.305   20.570 34.86877 31.03961 
1 1 1    9   27    5 o  202.368   14.415 16876.70  2353.21 15481.26  4188.49 17520.34  2844.61  189.888   28.007  205.574   17.200 -15.68652 32.86647 
1 1 1    9   27    6 o   52.629   18.999  964.924  1040.30 -48.2045  1967.05  1358.32  1225.75   55.974   24.049   59.905   20.711 -3.931694 31.73761 
1 1 1    9   27    7 o  132.983   15.880  7391.60  1680.82  5606.16  2912.30  8283.37  2058.22  112.322   30.944  140.198   18.535 -27.87560 36.07049 
1 1 1    9   27    8 o  116.830   17.599  5787.45  1617.65  8155.22  3423.97  5107.08  1835.41  134.219   31.889  108.512   21.591 25.70753 38.51109 
1 1 1    9   27    9 o  230.423   11.117 21798.44  2079.90 30287.04  4937.92 19967.59  2293.25  265.885   23.102  219.748   12.909 46.13785 26.46412 
1 1 1    9   27   10 o   79.427   9.3039  2619.58  588.657  7094.05  3288.63  2471.47  598.320  123.056   32.449   77.024   9.7878 46.03200 33.89344 
1 1 1    9   27   11 o  130.742   10.097  7069.70  1063.60  5625.93  3552.93  7211.82  1114.72  108.769   35.232  131.963   10.490 -23.19360 36.76015 
1 1 1    9   27   12 o   73.245   10.458  2255.33  604.281  8071.40  3570.39  2083.81  613.126  128.238   33.809   70.193   11.129 58.04550 35.59320 
1 1 1    9   27   13 o  277.962   13.510 32345.65  3049.18 37944.87  7186.55 31116.37  3367.31  281.159   32.052  271.053   15.363 10.10672 35.54418 
1 1 1    9   27   14 o  117.787   11.316  5824.58  1068.95  7472.24  4445.44  5723.46  1101.26  116.244   39.463  116.586   11.796 -0.3422775 41.18837 
1 1 1    9   27   15 o   48.094   15.681  973.403  703.259  1660.26  4188.40  953.477  713.387   79.360   34.590   47.805   15.803 31.55498 38.02937 
1 1 1    9   27   16 f   32.433   14.291 -131.5177  732.511  1781.70  4410.71 -185.7830  742.827   78.578   34.823   32.117   14.259 46.46096 37.62963 
1 1 1    9   27   17 o   95.294   15.653  4075.59  1169.12  1322.77  5663.30  4198.13  1194.86   77.937   36.368   96.680   15.764 -18.74317 39.63795 
1 1 1    9   27   18 o   52.750   18.078  1263.32  932.972   0.0000   0.0000  1263.32  932.972  ?   ?    52.750   18.078 0.000000 18.07794 
1 1 1    9   27   19 o   53.670   19.451  1375.25  1091.86   0.0000   0.0000  1375.25  1091.86  ?   ?    53.670   19.451 0.000000 19.45056 
1 1 1    9   27   20 o   43.073   18.882  408.071  1264.11   0.0000   0.0000  408.071  1264.11  ?   ?    43.073   18.882 0.000000 18.88213 
1 1 1    9   29    0 o  304.504   20.339 38707.55  4999.83   0.0000   0.0000 38707.55  4999.83  ?   ?   304.504   20.339 0.000000 20.33899 
1 1 1    9   29    1 o  276.510   19.411 31872.83  4330.40   0.0000   0.0000 31872.83  4330.40  ?   ?   276.510   19.411 0.000000 19.41062 
1 1 1    9   29    2 o  192.299   17.937 15431.65  2768.39   0.0000   0.0000 15431.65  2768.39  ?   ?   192.299   17.937 0.000000 17.93712 
1 1 1    9   29    3 o   81.629   21.040  2886.03  1403.33   0.0000   0.0000  2886.03  1403.33  ?   ?    81.629   21.040 0.000000 21.03991 
1 1 1    9   29    4 f   92.755   18.196  3690.94  1321.47  4109.68  2330.46  3492.48  1604.34   96.743   28.040   89.490   22.189 7.252838 35.75748 
1 1 1    9   29    5 o   39.511   17.394 -265.7495  1082.76 -2004.8010  2204.69  287.035  1242.99   48.222   22.564   47.494   19.683 0.7276344 29.94278 
1 1 1    9   29    6 o  221.788   16.163 20534.65  2890.61 20797.46  5235.00 20419.38  3467.07  215.841   30.739  219.744   19.638 -3.903564 36.47691 
1 1 1    9   29    7 f  235.270   16.585 23201.94  3148.00 29532.80  5750.19 20492.44  3761.80  258.630   27.819  218.727   21.458 39.90337 35.13346 
1 1 1    9   29    8 o  128.109   19.833  7102.72  1996.39  9092.81  4227.10  6531.40  2264.90  136.654   37.129  121.150   23.873 15.50451 44.14220 
1 1 1    9   29    9 o  102.230   8.7371  4315.11  718.282  6317.26  3385.72  4220.75  735.013  114.644   33.960  101.036   9.0555 13.60783 35.14656 
1 1 1    9   29   10 o  109.349   9.3144  4950.00  819.117 10188.63  4152.39  4737.90  835.535  143.085   35.823  106.868   9.7357 36.21670 37.12196 
1 1 1    9   29   11 f  133.595   10.326  7415.24  1111.43  7718.40  4165.46  7392.00  1153.23  121.694   38.000  133.259   10.750 -11.56498 39.49100 
1 1 1    9   29   12 o   78.501   11.220  2608.79  694.811 -1925.6870  4505.97  2719.23  703.222   69.861   32.546   80.210   11.095 -10.34897 34.38538 
1 1 1    9   29   13 o  146.525   11.413  9012.10  1347.14  8701.33  5530.01  9031.71  1388.99  119.405   43.697  146.532   11.774 -27.12666 45.25539 
1 1 1    9   29   14 o   61.006   15.884  1665.77  794.515  3453.52  5004.25  1619.54  804.722   89.215   38.345   60.137   16.142 29.07885 41.60431 
1 1 1    9   29   15 o   90.731   12.763  3563.62  914.255  6063.86  4836.89  3470.99  931.037   98.214   39.530   89.320   13.238 8.894508 41.68787 
1 1 1    9   29   16 o   46.844   17.110  876.239  847.279   0.0000   0.0000  876.239  847.279  ?   ?    46.844   17.110 0.000000 17.11003 
1 1 1    9   29   17 o   41.123   16.695  480.121  870.805   0.0000   0.0000  480.121  870.805  ?   ?    41.123   16.695 0.000000 16.69480 
1 1 1    9   29   18 f   55.166   19.386  1503.48  1076.07   0.0000   0.0000  1503.48  1076.07  ?   ?    55.166   19.386 0.000000 19.38609 
1 1 1    9   31    0 o  101.931   22.120  4573.71  1778.21   0.0000   0.0000  4573.71  1778.21  ?   ?   101.931   22.120 0.000000 22.12049 
1 1 1    9   31    1 f  195.797   19.345 16278.24  3035.24   0.0000   0.0000 16278.24  3035.24  ?   ?   195.797   19.345 0.000000 19.34486 
1 1 1    9   31    2 o  305.160   21.452 39744.62  5281.51   0.0000   0.0000 39744.62  5281.51  ?   ?   305.160   21.452 0.000000 21.45167 
1 1 1    9   31    3 o  294.829   21.434 37182.71  5096.13   0.0000   0.0000 37182.71  5096.13  ?   ?   294.829   21.434 0.000000 21.43450 
1 1 1    9   31    4 o  251.953   17.340 26760.28  3525.76 28880.29  7088.52 26063.38  4064.15  247.387   36.375  246.869   20.460 0.5186310 41.73416 
1 1 1    9   31    5 o  262.573   17.561 29148.59  3722.43 33826.71  7279.29 27492.07  4331.63  269.134   34.074  252.620   21.317 16.51312 40.19243 
1 1 1    9   31    6 o  249.740   18.098 26519.20  3644.95 25828.14  7114.24 26765.16  4244.33  228.256   39.835  248.835   21.209 -20.57942 45.12908 
1 1 1    9   31    7 o   91.859   23.172  3819.51  1728.15  6052.11  4257.95  3379.22  1890.89  111.154   38.591   86.261   25.331 24.89278 46.16205 
1 1 1    9   31    8 o   68.308   22.078  2018.23  1395.75  5729.18  4582.00  1638.67  1465.39  108.089   39.742   63.937   22.607 44.15137 45.72242 
1 1 1    9   31    9 o  222.242   20.522 21636.96  3661.49 28193.66  7044.33 19209.79  4285.95  234.783   38.270  204.566   26.421 30.21732 46.50445 
1 1 1    9   31   10 o  119.081   10.190  5910.89  975.807  6103.84  5334.26  5904.21  992.555  107.741   42.101  118.955   10.380 -11.21414 43.36184 
1 1 1    9   31   11 o   45.106   12.420  880.235  469.295  1738.28  4143.52  869.085  472.334   80.508   34.748   44.846   12.502 35.66158 36.92871 
1 1 1    9   31   12 o  262.212   14.736 29474.20  3124.77 28071.57  8807.54 29676.18  3342.19  197.619   53.554  262.105   15.778 -64.48634 55.82976 
1 1 1    9   31   13 o   99.580   11.683  4231.30  926.700  4759.32  6279.31  4219.54  936.959   94.240   41.668   99.372   11.846 -5.132286 43.31882 
1 1 1    9   31   14 o   73.749   14.820  2439.45  856.630 -2323.6001  6645.80  2519.92  863.837   73.454   35.642   75.035   14.704 -1.581154 38.55589 
1 1 1    9   31   15 o   30.101   13.734 -362.9555  744.756   0.0000   0.0000 -362.9555  744.756  ?   ?    30.101   13.734 0.000000 13.73410 
1 1 1    9   31   16 o   41.369   16.775  512.623  878.065   0.0000   0.0000  512.623  878.065  ?   ?    41.369   16.775 0.000000 16.77494 
1 1 1    9   31   17 o   51.030   18.835  1239.17  1030.66   0.0000   0.0000  1239.17  1030.66  ?   ?    51.030   18.835 0.000000 18.83489 
1 1 1    9   33    0 o  380.191   25.852 64469.21  7933.08   0.0000   0.0000 64469.21  7933.08  ?   ?   380.191   25.852 0.000000 25.85166 
1 1 1    9   33    1 o  185.449   21.417 15030.96  3165.56   0.0000   0.0000 15030.96  3165.56  ?   ?   185.449   21.417 0.000000 21.41651 
1 1 1    9   33    2 o  191.933   21.773 16143.86  3333.08   0.0000   0.0000 16143.86  3333.08  ?   ?   191.933   21.773 0.000000 21.77256 
1 1 1    9   33    3 o   93.707   26.230  4060.30  2074.69   0.0000   0.0000  4060.30  2074.69  ?   ?    93.707   26.230 0.000000 26.23026 
1 1 1    9   33    4 o  236.680   21.761 24579.77  4135.18   0.0000   0.0000 24579.77  4135.18  ?   ?   236.680   21.761 0.000000 21.76140 
1 1 1    9   33    5 o  186.640   19.356 15141.76  2890.72 18858.43  6103.44 14066.95  3282.20  189.098   40.938  177.237   23.378 11.86122 47.14255 
1 1 1    9   33    6 o  133.810   23.128  8111.51  2421.93 10304.69  5732.79  7635.02  2672.10  133.526   44.817  127.649   26.642 5.876984 52.13774 
1 1 1    9   33    7 o  183.767   21.415 15037.06  3135.45 19313.13  6786.06 13876.40  3535.46  181.992   45.923  173.034   25.965 8.958282 52.75494 
1 1 1    9   33    8 o  247.783   20.872 27285.79  4160.17 33513.54  8541.15 25348.78  4763.41  240.779   45.352  233.964   25.487 6.814575 52.02243 
1 1 1    9   33    9 o   74.518   25.320  2538.86  1829.99  4042.75  5189.60  2325.30  1955.61   94.322   39.732   72.645   26.070 21.67722 47.52166 
1 1 1    9   33   10 o   70.413   10.116  2103.16  561.778 -7598.0400  6475.05  2176.74  563.904   67.388   33.209   71.704   9.9541 -4.315369 34.66917 
1 1 1    9   33   11 o   28.851   11.345  215.541  389.362  429.013  6561.85  214.786  390.049   82.038   38.559   28.853   11.352 53.18447 40.19560 
1 1 1    9   33   12 o   35.727   13.515  424.863  537.450 -2781.0259  6994.73  443.902  539.043   74.225   36.141   36.096   13.562 38.12913 38.60182 
1 1 1    9   33   13 o   26.921   11.830 -81.1095  498.770 -2692.1431  7469.33 -69.4147  499.886   72.743   35.814   27.102   11.878 45.64130 37.73175 
1 1 1    9   33   14 o   87.020   13.762  3404.93  940.020   0.0000   0.0000  3404.93  940.020  ?   ?    87.020   13.762 0.000000 13.76162 
1 1 1    9   33   15 o   30.838   14.011 -270.6177  764.872   0.0000   0.0000 -270.6177  764.872  ?   ?    30.838   14.011 0.000000 14.01144 
1 1 1    9   33   16 o   53.740   18.726  1481.55  1002.98   0.0000   0.0000  1481.55  1002.98  ?   ?    53.740   18.726 0.000000 18.72565 
1 1 1    9   35    0 o  178.660   25.198 14718.11  3553.91   0.0000   0.0000 14718.11  3553.91  ?   ?   178.660   25.198 0.000000 25.19829 
1 1 1    9   35    1 o  257.772   24.186 30202.75  5003.09   0.0000   0.0000 30202.75  5003.09  ?   ?   257.772   24.186 0.000000 24.18646 
1 1 1    9   35    2 o  182.704   24.866 15367.87  3592.97   0.0000   0.0000 15367.87  3592.97  ?   ?   182.704   24.866 0.000000 24.86559 
1 1 1    9   35    3 o  177.331   25.086 14555.64  3511.25   0.0000   0.0000 14555.64  3511.25  ?   ?   177.331   25.086 0.000000 25.08591 
1 1 1    9   35    4 o  198.571   26.256 18493.51  4129.47   0.0000   0.0000 18493.51  4129.47  ?   ?   198.571   26.256 0.000000 26.25572 
1 1 1    9   35    5 o  208.077   26.189 20402.22  4326.62   0.0000   0.0000 20402.22  4326.62  ?   ?   208.077   26.189 0.000000 26.18874 
1 1 1    9   35    6 o   89.946   29.846  4040.15  2543.71  4336.00  5781.12  3969.12  2832.66   96.042   41.245   89.201   31.444 6.840614 51.86360 
1 1 1    9   35    7 o   97.413   28.829  4832.36  2440.74  7679.21  7017.96  4440.64  2603.25  108.084   45.903   92.959   30.162 15.12499 54.92554 
1 1 1    9   35    8 o   71.129   27.078  2208.36  2165.91  701.041  7104.18  2362.82  2274.18   84.948   39.988   72.903   27.749 12.04421 48.67237 
1 1 1    9   35    9 o   55.993   24.096  536.522  1980.73  1942.42  7197.17  421.313  2060.29   85.881   40.371   55.996   24.335 29.88526 47.13817 
1 1 1    9   35   10 o   95.799   10.222  3898.92  782.880 13247.26  8931.28  3826.53  785.906  110.336   49.188   94.835   10.375 15.50188 50.27005 
1 1 1    9   35   11 o   27.366   11.562   63.901  441.586 -2291.2261  8988.24   69.599  442.120   76.147   37.811   27.469   11.585 48.67771 39.54624 
1 1 1    9   35   12 o   56.788   13.048  1461.97  588.988   0.0000   0.0000  1461.97  588.988  ?   ?    56.788   13.048 0.000000 13.04764 
1 1 1    9   35   13 o   60.380   15.400  1734.15  757.379   0.0000   0.0000  1734.15  757.379  ?   ?    60.380   15.400 0.000000 15.39983 
1 1 1    9   35   14 f   48.868   15.427  1147.74  684.563   0.0000   0.0000  1147.74  684.563  ?   ?    48.868   15.427 0.000000 15.42696 
1 1 1    9   37    0 o  225.769   27.126 24861.44  4873.13   0.0000   0.0000 24861.44  4873.13  ?   ?   225.769   27.126 0.000000 27.12613 
1 1 1    9   37    1 o  150.668   44.615 14922.28  5844.37   0.0000   0.0000 14922.28  5844.37  ?   ?   150.668   44.615 0.000000 44.61505 
1 1 1    9   37    2 o  134.962   47.260 13293.43  6392.38   0.0000   0.0000 13293.43  6392.38  ?   ?   134.962   47.260 0.000000 47.25993 
1 1 1    9   37    3 o  144.766   50.860 16816.13  7406.36   0.0000   0.0000 16816.13  7406.36  ?   ?   144.766   50.860 0.000000 50.86031 
1 1 1    9   37    4 o   71.618   33.992 -1622.5190  5335.25   0.0000   0.0000 -1622.5190  5335.25  ?   ?    71.618   33.992 0.000000 33.99218 
1 1 1    9   37    5 o  109.379   47.132  9982.75  7597.86   0.0000   0.0000  9982.75  7597.86  ?   ?   109.379   47.132 0.000000 47.13160 
1 1 1    9   37    6 o  107.239   33.939  6789.81  3311.69   0.0000   0.0000  6789.81  3311.69  ?   ?   107.239   33.939 0.000000 33.93941 
1 1 1    9   37    7 f   85.225   32.181  4129.00  3043.42   0.0000   0.0000  4129.00  3043.42  ?   ?    85.225   32.181 0.000000 32.18100 
1 1 1    9   37    8 o  120.916   34.518  9133.40  3556.42   0.0000   0.0000  9133.40  3556.42  ?   ?   120.916   34.518 0.000000 34.51778 
1 1 1    9   37    9 o  114.788   33.038  8330.05  3245.50 18134.96 10465.66  7286.80  3413.80  103.015   48.505  103.784   34.583 -0.7697449 59.57128 
1 1 1    9   37   10 o   68.088   10.773  2031.67  575.765   0.0000   0.0000  2031.67  575.765  ?   ?    68.088   10.773 0.000000 10.77294 
1 1 1    9   37   11 o   68.777   11.316  2105.31  609.939   0.0000   0.0000  2105.31  609.939  ?   ?    68.777   11.316 0.000000 11.31570 
1 1 1    9   37   12 o   17.709   8.5333 -512.6395  364.836   0.0000   0.0000 -512.6395  364.836  ?   ?    17.709   8.5333 0.000000 8.533281 
1 1 1    9   39    0 o   80.112   33.099  3532.73  3499.30   0.0000   0.0000  3532.73  3499.30  ?   ?    80.112   33.099 0.000000 33.09899 
1 1 1    9   39    1 o   57.920   26.776 -432.6703  2961.33   0.0000   0.0000 -432.6703  2961.33  ?   ?    57.920   26.776 0.000000 26.77589 
1 1 1    9   39    2 o  122.803   37.543 10131.95  4090.35   0.0000   0.0000 10131.95  4090.35  ?   ?   122.803   37.543 0.000000 37.54276 
1 1 1    9   39    3 o  167.395   35.891 17358.65  4731.79   0.0000   0.0000 17358.65  4731.79  ?   ?   167.395   35.891 0.000000 35.89083 
1 1 1    9   39    4 o  147.127   37.171 14254.16  4442.09   0.0000   0.0000 14254.16  4442.09  ?   ?   147.127   37.171 0.000000 37.17073 
1 1 1    9   39    5 o   53.038   25.195 -1341.0129  2943.15   0.0000   0.0000 -1341.0129  2943.15  ?   ?    53.038   25.195 0.000000 25.19477 
1 1 1    9   39    6 o   92.178   35.719  6490.13  3814.89   0.0000   0.0000  6490.13  3814.89  ?   ?    92.178   35.719 0.000000 35.71902 
1 1 1    9   39    7 o  143.388   40.678 16583.86  4954.98   0.0000   0.0000 16583.86  4954.98  ?   ?   143.388   40.678 0.000000 40.67789 
1 1 1    9   39    8 o   76.640   38.956 10759.83 12957.99   0.0000   0.0000 10759.83 12957.99  ?   ?    76.640   38.956 0.000000 38.95638 
1 1 1    9   39    9 o   67.336   34.661  218.363 14439.45   0.0000   0.0000  218.363 14439.45  ?   ?    67.336   34.661 0.000000 34.66125 
1 1 1    9   41    0 o   89.470   37.604  8020.17  4631.74   0.0000   0.0000  8020.17  4631.74  ?   ?    89.470   37.604 0.000000 37.60411 
1 1 1    9   41    1 o   81.769   35.534  6136.34  4392.75   0.0000   0.0000  6136.34  4392.75  ?   ?    81.769   35.534 0.000000 35.53391 
1 1 1    9   41    2 o   65.620   29.879  2226.70  3501.79   0.0000   0.0000  2226.70  3501.79  ?   ?    65.620   29.879 0.000000 29.87877 
1 1 1    9   41    3 o   76.661   34.381  5336.28  4434.12   0.0000   0.0000  5336.28  4434.12  ?   ?    76.661   34.381 0.000000 34.38123 
1 1 1    9   41    4 o   58.580   28.077  316.620  3830.08   0.0000   0.0000  316.620  3830.08  ?   ?    58.580   28.077 0.000000 28.07699 
1 1 1    9   41    5 o   52.628   25.303 -528.6594  3165.03   0.0000   0.0000 -528.6594  3165.03  ?   ?    52.628   25.303 0.000000 25.30275 
1 1 1    9   41    6 o   56.576   27.280  513.175  3743.28   0.0000   0.0000  513.175  3743.28  ?   ?    56.576   27.280 0.000000 27.28030 
1 1 1   10    0    0 o   73.660   11.580  2362.50  641.436   0.0000   0.0000  2362.50  641.436   73.660   11.580   73.660   11.580 0.000000 0.000000 
1 1 1   10    0    3 o  707.123   49.894 210249.50 28319.39 210249.50 28319.39   0.0000   0.0000  707.123   49.894  707.123   49.894 0.000000 0.000000 
1 1 1   10    0    4 o  176.345   9.9629 12754.17  1416.14 13806.57  2011.36 11719.65  1994.21  182.764   13.732  167.823   14.905 0.000000 0.000000 
1 1 1   10    0    5 o  470.523   23.150 90775.77  8795.66 84021.34 12445.74 97515.47 12432.16  449.663   34.557  485.769   31.833 0.000000 0.000000 
1 1 1   10    0    6 o  1088.39   52.690 489514.41 46315.08 472115.81 65504.12 506908.00 65494.70  1058.02   77.194  1098.38   74.215 0.000000 0.000000 
1 1 1   10    0    7 o  1091.70   52.720 491685.59 46483.55 496139.91 65742.86 487232.69 65732.46  1087.75   75.263  1077.47   76.003 0.000000 0.000000 
1 1 1   10    0    8 o  433.501   21.340 76949.74  7469.78 89727.47 10572.41 64213.22 10555.34  467.059   28.111  392.795   33.664 0.000000 0.000000 
1 1 1   10    0    9 o  402.166   19.977 66229.02  6486.69 72555.55  9183.59 59930.02  9163.58  419.645   27.215  380.148   30.123 0.000000 0.000000 
1 1 1   10    0   10 o  1032.87   49.881 440518.31 41610.45 482625.31 58853.67 398433.09 58838.45  1073.92   68.122  970.940   75.691 0.000000 0.000000 
1 1 1   10    0   11 o  501.954   24.632 103430.20  9984.05 116467.70 14130.68 90433.65 14108.49  530.680   33.089  465.283   37.924 0.000000 0.000000 
1 1 1   10    0   12 o  629.065   44.619 166003.50 22527.00 166003.50 22527.00   0.0000   0.0000  629.065   44.619  629.065   44.619 0.000000 0.000000 
1 1 1   10    0   13 o  618.267   30.289 157855.20 15122.20 166697.20 21404.92 149044.30 21367.17  630.567   42.242  594.550   44.848 0.000000 0.000000 
1 1 1   10    0   14 o  355.705   18.805 52027.02  5396.65 28005.52  7652.47 75793.46  7611.73  251.137   40.744  429.090   21.979 0.000000 0.000000 
1 1 1   10    0   15 o  287.432   15.316 33944.16  3551.43 33691.08  5058.36 34190.19  4987.36  284.474   22.211  286.770   21.705 0.000000 0.000000 
1 1 1   10    0   16 o  204.409   12.256 17191.02  2017.38 15276.32  2902.63 18980.17  2805.84  190.526   19.211  213.855   16.380 0.000000 0.000000 
1 1 1   10    0   17 o   33.452   16.295  671.804  520.742 -23.1835  819.183  1143.09  674.581   25.794   16.677   44.578   18.620 0.000000 0.000000 
1 1 1   10    0   18 o  545.063   27.557 124384.10 12125.00 124028.60 17235.38 124732.40 17060.63  535.277   40.176  537.287   39.601 0.000000 0.000000 
1 1 1   10    0   19 o  395.221   20.181 65132.52  6437.73 73910.95  9268.87 56950.93  8948.24  416.556   27.685  362.789   30.892 0.000000 0.000000 
1 1 1   10    0   20 o  222.615   13.686 20590.23  2452.41 24655.50  3794.27 17673.37  3213.97  241.123   19.682  203.285   19.910 0.000000 0.000000 
1 1 1   10    0   21 o   49.795   19.417  1408.07  749.364  4906.59  1698.41  562.377  835.039  100.786   23.908   32.835   19.076 0.000000 0.000000 
1 1 1   10    0   22 o  132.833   13.418  7512.60  1413.40  7146.89  2654.45  7657.32  1669.79  116.951   32.321  132.821   16.115 0.000000 0.000000 
1 1 1   10    0   23 o  178.520   13.666 13491.16  1954.29 13135.80  3247.30 13692.96  2447.04  168.056   25.547  177.689   17.340 0.000000 0.000000 
1 1 1   10    0   24 o  114.694   15.141  5818.95  1341.68  6726.81  3000.03  5591.98  1500.05  101.826   38.636  110.394   18.229 0.000000 0.000000 
1 1 1   10    0   25 o  123.837   17.516  7028.54  1659.65   0.0000   0.0000  7028.54  1659.65  123.837   17.516  123.837   17.516 0.000000 0.000000 
1 1 1   10    0   26 o   42.366   22.250  1285.58  1012.46   0.0000   0.0000  1285.58  1012.46   42.366   22.250   42.366   22.250 0.000000 0.000000 
1 1 1   10    2    0 o  310.826   16.171 39532.46  4067.15 38646.01  5765.28 40410.68  5738.46  306.006   23.380  313.091   22.728 -7.085480 32.60663 
1 1 1   10    2    1 o  645.549   46.092 177039.59 24000.88   0.0000   0.0000 177039.59 24000.88  ?   ?   645.549   46.092 0.000000 46.09186 
1 1 1   10    2    5 o  1224.73   59.771 629631.38 59438.36 633964.81 84076.83 625301.81 84040.26  1205.07   86.502  1196.17   87.127 8.896851 122.7747 
1 1 1   10    2    6 o   84.078   4.8838  2880.17  331.976  3151.10  476.746  2625.14  462.545   87.827   6.7366   80.074   7.1908 7.752983 9.853430 
1 1 1   10    2    7 o  798.418   26.916 259998.59 17449.53 266230.50 24686.46 253775.80 24668.28  806.146   37.714  786.893   38.609 19.25201 53.97224 
1 1 1   10    2    8 o  1650.87   65.017 1133345.00 87151.78 1129858.00 150958.91 1135088.00 106736.00  1603.32  116.760  1642.12   80.051 -38.79712 141.5663 
1 1 1   10    2    9 o  859.174   28.884 301223.50 20149.86 296572.50 28502.09 305870.81 28490.32  850.258   41.285  863.625   40.629 -13.36682 57.92331 
1 1 1   10    2   10 o  998.672   33.577 408642.91 27227.14 415559.31 38511.05 401731.09 38498.93  1002.58   47.307  985.456   48.114 17.12714 67.47551 
1 1 1   10    2   11 o  292.177   10.528 34707.62  2497.73 35077.83  3537.64 34339.63  3527.02  293.143   14.912  290.022   15.029 3.121185 21.17154 
1 1 1   10    2   12 o  557.267   27.294 127802.60 12350.21 125427.00 17480.26 130170.30 17451.44  546.677   39.650  557.344   38.805 -10.66742 55.47916 
1 1 1   10    2   13 o  481.526   16.651 94693.28  6510.25 95221.23  9211.54 94166.41  9202.24  481.443   23.564  478.743   23.673 2.700134 33.40169 
1 1 1   10    2   14 o  428.070   14.974 74810.95  5204.63 72810.45  7362.07 76809.68  7358.85  420.500   21.636  432.599   20.950 -12.09875 30.11657 
1 1 1   10    2   15 o  406.726   14.357 67571.05  4741.22 66501.61  6705.17 68640.46  6705.04  401.690   20.628  408.716   20.204 -7.026123 28.87396 
1 1 1   10    2   16 o   63.659   8.7099  1680.17  438.397  1194.96  633.282  2126.67  607.495   53.171   14.340   71.434   10.812 -18.26236 17.95901 
1 1 1   10    2   17 o  104.803   7.3570  4491.65  622.087  4996.36  867.623  3957.67  892.430  110.274   9.7918   97.795   11.456 12.47942 15.07036 
1 1 1   10    2   18 o   85.810   7.6507  3023.87  527.470  3217.74  717.796  2796.29  777.713   88.161   10.217   81.765   12.078 6.395988 15.81933 
1 1 1   10    2   19 o  149.117   8.1400  9110.88  981.855  8947.92  1364.86  9285.68  1413.52  147.099   11.519  149.821   11.713 -2.721436 16.42808 
1 1 1   10    2   20 o  186.438   8.7719 14253.28  1327.90 14659.68  1852.66 13823.93  1904.26  187.831   12.214  182.113   12.963 5.718384 17.81042 
1 1 1   10    2   21 o   22.060   10.007 -219.0087  388.059 -842.2025  568.646  324.185  530.894   22.185   10.681   34.328   13.319 -12.14327 17.07233 
1 1 1   10    2   22 o   85.759   10.428  3097.09  711.208  2541.13  965.494  3756.66  1051.61   75.725   16.193   93.214   14.355 -17.48868 21.63971 
1 1 1   10    2   23 o  137.875   9.6451  7953.62  1072.96  7895.96  1444.72  8024.53  1602.28  135.598   13.293  135.861   14.762 -0.2637482 19.86498 
1 1 1   10    2   24 o  145.979   10.114  9021.73  1191.41  8549.37  1637.66  9552.84  1736.51  138.964   14.739  146.944   14.753 -7.980316 20.85413 
1 1 1   10    2   25 o   43.123   15.952  760.162  740.089  1768.94  1070.87 -162.2108  1023.99   59.673   19.344   36.746   16.498 22.92764 25.42365 
1 1 1   10    2   26 o   36.543   14.623  456.323  657.772  997.888  876.516 -241.8436  995.209   46.228   17.308   34.553   15.808 11.67543 23.44072 
1 1 1   10    4    0 o  787.650   56.971 268352.09 36189.84   0.0000   0.0000 268352.09 36189.84  ?   ?   787.650   56.971 0.000000 56.97119 
1 1 1   10    4    1 o  727.812   35.570 219972.91 21020.60 212741.70 29724.71 227206.91 29730.53  705.016   52.298  729.973   50.470 -24.95709 72.67955 
1 1 1   10    4    2 o  643.623   31.410 170938.30 16414.69 164881.00 23220.79 176988.41 23206.97  624.816   46.096  648.378   44.347 -23.56256 63.96508 
1 1 1   10    4    3 o  688.226   26.642 194250.59 14887.96 212504.50 25836.02 185175.80 18216.59  711.981   44.921  670.007   33.485 41.97400 56.02813 
1 1 1   10    4    4 o  244.761   8.9014 24342.93  1769.06 23764.86  2507.72 24915.59  2495.96  241.384   12.841  247.206   12.475 -5.822433 17.90305 
1 1 1   10    4    5 o   76.418   4.8272  2380.76  297.986  2314.94  422.655  2445.81  420.186   75.171   7.0054   77.307   6.7620 -2.136398 9.736526 
1 1 1   10    4    6 o  120.727   5.6467  5918.57  553.523  5977.52  787.439  5861.00  778.242  121.045   8.0579  119.855   8.0435 1.190063 11.38537 
1 1 1   10    4    7 o  706.972   23.760 203616.41 13639.24 210024.91 19296.68 197218.30 19280.94  716.843   33.153  694.496   34.192 22.34698 47.62538 
1 1 1   10    4    8 o  1136.39   38.005 528628.62 35067.38 524281.00 49600.98 532973.19 49584.54  1126.92   54.207  1136.39   53.738 -9.465942 76.32972 
1 1 1   10    4    9 o  560.000   19.037 127614.00  8656.29 127206.00 12250.59 128020.80 12233.12  558.445   27.017  560.243   26.892 -1.797852 38.11956 
1 1 1   10    4   10 o  337.040   11.866 46177.32  3247.33 46173.98  4599.54 46180.65  4585.32  336.810   16.819  336.837   16.765 -0.2709961E-01 23.74748 
1 1 1   10    4   11 o  145.775   6.5941  8632.59  780.504  9051.48  1105.58  8216.39  1102.03  148.944   9.1866  141.842   9.6256 7.101883 13.30582 
1 1 1   10    4   12 o  235.720   10.488 22605.41  2007.37 22275.33  3528.09 22763.41  2440.99  232.704   18.834  236.079   12.782 -3.375214 22.76143 
1 1 1   10    4   13 o  531.509   18.161 115522.60  7837.65 111344.30 11090.12 119691.90 11078.12  519.094   26.399  539.191   25.304 -20.09717 36.56750 
1 1 1   10    4   14 o  461.506   15.882 87029.49  5951.43 86139.24  8423.40 87916.86  8409.80  457.615   22.670  462.384   22.400 -4.768982 31.86965 
1 1 1   10    4   15 o  373.730   13.488 57019.72  4092.92 57745.90  5794.21 56296.51  5782.32  374.591   19.114  369.793   19.325 4.798004 27.18060 
1 1 1   10    4   16 o  398.680   14.155 65001.30  4582.23 64222.75  6484.09 65778.01  6476.41  394.270   20.323  399.624   19.959 -5.353882 28.48531 
1 1 1   10    4   17 o  473.901   16.570 92323.34  6375.89 93422.91  9023.57 91227.02  9010.18  473.769   23.457  467.436   23.819 6.333344 33.42988 
1 1 1   10    4   18 o  216.449   9.0068 19122.07  1582.93 18929.51  2244.25 19312.69  2233.00  214.370   12.954  216.584   12.754 -2.213409 18.17904 
1 1 1   10    4   19 o   61.574   11.156  1604.81  537.239  609.562  747.930  2665.67  772.191   43.155   16.022   79.533   12.359 -36.37768 20.23436 
1 1 1   10    4   20 o  236.659   9.9851 23042.81  1918.73 20557.21  2687.38 25627.44  2740.39  221.215   15.051  247.802   13.673 -26.58693 20.33403 
1 1 1   10    4   21 o  219.857   9.6944 19942.85  1730.60 19053.34  2424.50 20866.84  2471.05  212.580   14.127  222.729   13.731 -10.14897 19.70005 
1 1 1   10    4   22 o  314.185   12.335 41421.88  3146.87 40766.91  4447.34 42078.62  4453.35  305.724   17.995  310.951   17.712 -5.226898 25.24917 
1 1 1   10    4   23 o  137.689   9.7116  7941.06  1078.78  8859.43  1475.01  6884.85  1581.83  143.912   12.755  124.952   15.955 18.95976 20.42718 
1 1 1   10    4   24 o   76.101   14.111  2595.34  839.838  2596.74  1085.29  2593.25  1325.95   74.055   18.183   72.547   21.186 1.507576 27.91894 
1 1 1   10    4   25 o   57.201   14.953  1543.12  702.297  1096.40  856.464  2459.97  1227.00   49.059   17.290   68.941   20.449 -19.88205 26.77887 
1 1 1   10    4   26 f   52.271   19.907  1418.85  1170.83   0.0000   0.0000  1418.85  1170.83  ?   ?    52.271   19.907 0.000000 19.90666 
1 1 1   10    6    0 f  1033.32   76.441 474900.69 63680.75   0.0000   0.0000 474900.69 63680.75  ?   ?   1033.32   76.441 0.000000 76.44138 
1 1 1   10    6    1 o  583.583   28.522 139955.59 13515.08 139016.20 19115.95 140894.59 19110.48  576.542   41.104  580.566   40.799 -4.023865 57.91432 
1 1 1   10    6    2 o  788.035   38.324 257072.80 24521.65 257659.41 34694.19 256487.41 34663.53  779.203   55.193  777.373   55.277 1.830078 78.11436 
1 1 1   10    6    3 o  580.943   22.186 137760.41 10465.37 147401.41 18191.96 132991.59 12794.46  596.755   37.739  569.950   27.647 26.80420 46.78212 
1 1 1   10    6    4 f  702.394   27.658 201657.20 15773.93 196591.50 27382.07 204173.20 19297.65  686.789   49.433  705.613   33.682 -18.82373 59.81748 
1 1 1   10    6    5 o  1299.60   93.464 733012.38 97967.53 733012.38 97967.53   0.0000   0.0000  1299.60   93.464  ?   ?  0.000000 93.46389 
1 1 1   10    6    6 o  1370.67   65.507 783889.31 72905.80 858165.62 103149.90 709744.00 103058.90  1414.69   90.269  1278.31  100.091 136.3851 134.7839 
1 1 1   10    6    7 o  1333.42   52.370 733338.19 56700.52 767304.88 98176.23 716338.31 69454.98  1340.48   90.735  1312.24   65.186 28.23340 111.7228 
1 1 1   10    6    8 o  409.845   13.779 68270.73  4585.41 68508.88  6492.52 68033.70  6477.00  410.329   19.487  408.902   19.508 1.426544 27.57368 
1 1 1   10    6    9 o  550.517   18.717 123351.50  8366.65 123672.80 11840.39 123031.10 11824.08  550.538   26.487  549.105   26.520 1.433411 37.48195 
1 1 1   10    6   10 f  697.424   23.704 198670.59 13423.20 192946.20 18992.00 204384.59 18974.55  685.082   34.142  705.353   33.130 -20.27106 47.57419 
1 1 1   10    6   11 o  526.285   20.708 113223.00  8849.10 110057.40 10841.70 119540.90 15316.33  517.901   25.782  536.163   35.381 -18.26178 43.77787 
1 1 1   10    6   12 o  329.435   13.782 44227.41  3686.53 41954.38  6452.69 45328.84  4491.77  318.503   25.156  333.227   16.601 -14.72409 30.13988 
1 1 1   10    6   13 o  531.735   18.377 115678.10  7934.50 116802.10 11231.98 114558.50 11210.20  532.271   25.989  527.070   26.194 5.200684 36.89928 
1 1 1   10    6   14 o  172.983   7.4564 12166.45  1047.30 12616.07  1490.16 11727.59  1472.23  175.711   10.493  169.359   10.762 6.352158 15.03037 
1 1 1   10    6   15 o  148.089   7.2499  8918.31  871.752  9325.56  1245.72  8527.48  1220.36  150.965   10.223  144.299   10.487 6.665939 14.64549 
1 1 1   10    6   16 o  324.349   11.826 42938.11  3114.55 43420.52  4413.07 42459.37  4396.25  324.873   16.787  321.215   16.915 3.657806 23.83143 
1 1 1   10    6   17 o   96.470   7.7090  3813.27  598.809  4981.06  850.891  2667.44  842.853  110.103   9.6142   79.627   13.520 30.47649 16.58972 
1 1 1   10    6   18 o  258.128   9.9509 27244.40  2085.63 29407.18  2988.37 25190.53  2912.16  266.951   13.834  246.787   14.598 20.16382 20.11181 
1 1 1   10    6   19 o  297.136   11.216 36325.27  2705.93 36084.31  3842.37 36562.36  3811.35  293.648   16.178  295.725   15.932 -2.076660 22.70522 
1 1 1   10    6   20 o   64.955   9.9506  1775.12  508.092  1477.86  637.169  2294.23  842.014   58.439   13.671   72.845   14.742 -14.40569 20.10538 
1 1 1   10    6   21 o  100.594   9.3852  4207.93  757.726  4228.57  965.776  4174.88  1222.07  100.063   12.135   98.118   15.882 1.945168 19.98761 
1 1 1   10    6   22 o   47.656   14.159  981.933  587.910  724.563  728.208  1463.70  996.307   44.019   15.895   57.942   18.645 -13.92365 24.50093 
1 1 1   10    6   23 o   35.364   13.361  412.107  524.828  578.391  614.554 -35.9113  1008.75   39.740   14.563   38.827   16.948 0.9130020 22.34552 
1 1 1   10    6   24 o   60.248   21.726  1685.35  1359.77   0.0000   0.0000  1685.35  1359.77  ?   ?    60.248   21.726 0.000000 21.72580 
1 1 1   10    6   25 o   57.009   21.436  1601.92  1347.19   0.0000   0.0000  1601.92  1347.19  ?   ?    57.009   21.436 0.000000 21.43570 
1 1 1   10    8    0 o  377.405   13.504 57943.91  4138.16 54445.49  5866.93 61407.52  5837.67  364.866   19.878  388.172   18.522 -23.30637 27.16974 
1 1 1   10    8    1 f  475.135   23.419 92186.88  9034.88 94394.77 12787.66 89986.15 12766.88  478.303   33.131  466.763   33.918 11.54004 47.41390 
1 1 1   10    8    2 o  294.276   15.439 35332.63  3676.07 34366.28  5209.80 36290.83  5187.77  289.416   22.343  297.552   21.620 -8.136444 31.09055 
1 1 1   10    8    3 o  358.561   14.483 52286.19  4216.61 50924.86  7398.63 52941.06  5131.55  352.233   26.054  360.654   17.523 -8.421326 31.39880 
1 1 1   10    8    4 o  762.331   29.528 237436.50 18277.19 236865.00 31743.12 237719.91 22354.63  754.699   52.120  761.586   36.150 -6.887085 63.42997 
1 1 1   10    8    5 o  370.907   15.773 55942.60  4750.15 50708.04  8312.33 58480.96  5788.41  351.212   29.419  379.099   18.805 -27.88696 34.91594 
1 1 1   10    8    6 f  565.799   22.946 130372.00 10541.69 148579.30 18179.89 121149.10 12939.04  601.338   37.419  544.096   29.397 57.24188 47.58534 
1 1 1   10    8    7 o  630.628   20.711 161857.59 10605.19 168746.00 15001.12 154975.09 14994.89  643.172   28.725  616.240   29.968 26.93176 41.51132 
1 1 1   10    8    8 o  497.542   19.261 100744.40  7781.26 106382.00  9528.42 89457.62 13482.18  511.012   22.964  466.102   35.900 44.91016 42.61660 
1 1 1   10    8    9 o  429.444   14.480 75012.73  5049.21 78424.28  7144.49 71608.48  7136.84  438.724   20.056  418.627   21.064 20.09738 29.08454 
1 1 1   10    8   10 o  568.943   19.449 132086.20  8984.79 125494.60 12710.53 138669.20 12702.31  552.263   28.442  581.602   26.898 -29.33875 39.14626 
1 1 1   10    8   11 o  764.892   25.583 240378.09 15888.54 234866.91 22476.95 245882.30 22462.63  751.296   36.846  769.153   35.967 -17.85706 51.49047 
1 1 1   10    8   12 o  817.823   32.525 277616.69 21597.96 278334.41 37508.77 277260.69 26416.84  798.122   58.283  812.728   40.031 -14.60645 70.70602 
1 1 1   10    8   13 o   80.845   6.3498  2672.47  413.473  3550.03  570.657  1702.61  599.918   93.135   7.6126   63.606   12.057 29.52976 14.25941 
1 1 1   10    8   14 o  238.783   9.4532 23207.31  1832.83 24280.84  2598.38 22144.24  2585.68  243.599   13.186  232.519   13.757 11.08038 19.05557 
1 1 1   10    8   15 o  406.531   14.248 67557.68  4703.11 66266.38  6662.78 68840.04  6639.69  400.648   20.550  409.019   19.992 -8.370911 28.67074 
1 1 1   10    8   16 o  281.589   10.455 32335.03  2390.40 30841.37  3380.90 33828.07  3380.18  273.907   15.262  287.060   14.550 -13.15317 21.08617 
1 1 1   10    8   17 o   83.459   7.6544  2860.53  512.927  3764.07  678.197  1652.98  784.036   95.684   8.8289   62.196   15.563 33.48774 17.89290 
1 1 1   10    8   18 o  533.882   18.560 118988.80  8045.72 125213.70 11399.72 112810.30 11357.13  540.597   25.971  510.938   27.476 29.65921 37.80777 
1 1 1   10    8   19 o   40.203   11.136  685.669  376.021  1128.26  455.642 -259.3836  665.809   51.369   11.237   30.003   13.399 21.36609 17.48669 
1 1 1   10    8   20 o  138.825   8.2384  7931.21  924.488  6584.75  1249.71  9558.69  1373.95  125.327   12.445  151.612   11.241 -26.28508 16.77046 
1 1 1   10    8   21 o  108.219   9.0465  4861.16  787.630  4725.44  1023.21  5058.53  1233.89  105.773   12.133  108.682   14.332 -2.909370 18.77828 
1 1 1   10    8   22 o  205.214   12.240 17780.54  2030.24 23127.74  4216.60 16166.78  2316.43  223.145   23.632  193.920   14.824 29.22458 27.89646 
1 1 1   10    8   23 o   99.064   14.265  4312.15  1114.35  4210.95  2683.05  4333.25  1225.00   87.945   30.628   98.467   15.860 -10.52172 34.49093 
1 1 1   10    8   24 o   51.383   14.374  1206.67  623.247  1246.63  684.785  1013.85  1504.30   52.081   15.230   53.556   21.866 -1.475224 26.64681 
1 1 1   10    8   25 o   80.502   12.225  2920.19  773.962  2641.82  896.274  3736.42  1534.75   74.464   15.334   82.255   22.382 -7.790695 27.13148 
1 1 1   10   10    0 o  774.939   37.468 246522.50 23575.80   0.0000   0.0000 246522.50 23575.80  ?   ?   774.939   37.468 0.000000 37.46800 
1 1 1   10   10    2 o  144.033   9.7255  8466.45  1130.73  9224.95  1606.42  7721.63  1591.86  150.054   13.323  137.041   14.528 13.01320 19.71198 
1 1 1   10   10    3 o  689.433   33.265 194417.41 18621.59 202151.09 26361.32 186714.70 26308.57  699.000   46.715  671.142   48.607 27.85834 67.41608 
1 1 1   10   10    4 o  771.835   36.566 243888.00 22916.33   0.0000   0.0000 243888.00 22916.33  ?   ?   771.835   36.566 0.000000 36.56639 
1 1 1   10   10    5 o  1024.32   46.351 431319.59 38550.69   0.0000   0.0000 431319.59 38550.69  ?   ?   1024.32   46.351 0.000000 46.35069 
1 1 1   10   10    6 o  1479.55   57.114 905595.69 68613.82 1005244.00 118954.20 855911.69 83995.05  1530.34   96.221  1428.53   72.654 101.8094 120.5699 
1 1 1   10   10    7 o  979.913   36.562 393194.91 29091.02 487586.31 50498.52 346310.59 35589.88  1082.93   57.637  915.602   48.040 167.3322 75.03253 
1 1 1   10   10    8 o  669.693   26.822 183164.59 14584.96 193980.70 17858.33 161499.50 25274.71  688.328   31.953  622.267   50.458 66.06128 59.72389 
1 1 1   10   10    9 o   70.689   5.7615  2042.97  327.814  2142.08  445.122  1925.52  484.587   72.202   7.7119   68.251   8.9608 3.950775 11.82246 
1 1 1   10   10   10 o  173.286   8.2360 12204.94  1158.83 11194.82  1421.70 14204.61  2000.33  165.558   10.632  186.301   13.311 -20.74323 17.03615 
1 1 1   10   10   11 o  193.062   7.8584 15151.07  1231.89 15322.32  1742.44 14979.93  1741.86  193.712   11.125  191.516   11.251 2.196457 15.82210 
1 1 1   10   10   12 o  295.200   12.625 35507.62  3026.04 36704.88  5389.80 34956.51  3656.77  298.159   22.427  292.233   15.466 5.925446 27.24313 
1 1 1   10   10   13 o  571.794   19.324 134045.91  8971.78 131698.00 12696.46 136387.59 12679.58  563.851   27.732  574.018   27.205 -10.16669 38.84769 
1 1 1   10   10   14 o  596.158   20.701 146206.20 10020.67 149303.20 14183.53 143119.80 14159.23  598.576   29.183  584.977   29.910 13.59900 41.78812 
1 1 1   10   10   15 o  199.072   8.7226 16133.92  1409.93 17304.58  1995.55 14967.04  1992.33  205.567   12.008  190.992   12.923 14.57501 17.64081 
1 1 1   10   10   16 o  314.914   11.713 40512.79  2994.96 40668.42  4241.21 40358.00  4229.84  314.092   16.690  312.882   16.710 1.209686 23.61744 
1 1 1   10   10   17 o  135.345   7.5178  7486.53  822.928  8309.10  1172.37  6687.58  1155.41  142.230   10.220  127.341   11.292 14.88826 15.22972 
1 1 1   10   10   18 o  180.671   8.2072 13336.81  1203.99 15116.14  1741.42 11707.38  1666.46  191.494   11.249  168.185   12.288 23.30971 16.65961 
1 1 1   10   10   19 o  117.059   8.2029  5637.86  774.740  5692.99  1056.57  5573.74  1139.41  116.955   11.265  115.429   12.349 1.526299 16.71510 
1 1 1   10   10   20 o  141.198   11.036  8302.44  1255.24  8167.32  2669.88  8340.78  1422.23  133.205   25.615  141.012   12.553 -7.806595 28.52570 
1 1 1   10   10   21 o   76.060   14.992  2532.89  892.939  1438.47  2226.65  2742.62  974.752   66.795   26.843   78.959   15.756 -12.16453 31.12553 
1 1 1   10   10   22 o   83.620   10.987  2974.45  727.912  2999.99  859.246  2909.52  1369.93   83.195   13.157   78.714   21.033 4.481255 24.80936 
1 1 1   10   10   23 o   92.961   39.460  5814.67  5182.10  4132.31  8108.58  6976.21  6737.59   88.503   41.977   95.829   42.721 -7.325668 59.89289 
1 1 1   10   10   24 o   68.100   11.505  2047.19  613.522  2177.98  726.820  1723.01  1144.29   69.370   13.389   59.429   20.023 9.940960 24.08652 
1 1 1   10   10   25 o   91.235   11.181  3706.96  810.954  3418.51  930.188  4620.72  1655.58   85.647   13.848   90.635   22.580 -4.988503 26.48820 
1 1 1   10   12    0 o  615.514   30.002 154709.30 14994.26   0.0000   0.0000 154709.30 14994.26  ?   ?   615.514   30.002 0.000000 30.00190 
1 1 1   10   12    1 o  1329.04   52.385 729615.31 56529.97 791666.38 97911.45 698588.38 69235.26  1360.00   89.159  1292.33   66.203 67.67078 111.0502 
1 1 1   10   12    2 o  689.334   48.053 196547.09 26727.70   0.0000   0.0000 196547.09 26727.70  ?   ?   689.334   48.053 0.000000 48.05275 
1 1 1   10   12    3 o  410.294   29.412 69039.05  9733.49   0.0000   0.0000 69039.05  9733.49  ?   ?   410.294   29.412 0.000000 29.41207 
1 1 1   10   12    4 o  302.856   15.839 37393.41  3881.47 42947.48  5532.17 32008.52  5447.26  324.144   21.135  279.268   24.264 44.87604 32.17789 
1 1 1   10   12    5 o  596.630   20.959 144898.80 10153.34 181808.41 17726.07 126876.00 12386.64  667.049   32.728  557.777   27.350 109.2725 42.65112 
1 1 1   10   12    6 o  1473.30   54.554 898970.62 65260.62 1061154.00 113178.30 818186.50 79876.99  1573.03   88.976  1394.57   70.773 178.4581 113.6904 
1 1 1   10   12    7 o  924.087   44.282 352540.50 33226.33 373183.69 47058.21 332018.09 46920.36  941.507   61.901  885.844   65.701 55.66315 90.26852 
1 1 1   10   12    8 o  149.092   8.3897  9060.73  1011.52  6342.23  1922.78 10100.95  1189.40  123.149   19.908  157.374   9.3500 -34.22470 21.99473 
1 1 1   10   12    9 f  167.666   10.024 11472.46  1358.42 16279.76  2085.54  7930.04  1790.27  199.560   12.941  138.528   16.224 61.03136 20.75245 
1 1 1   10   12   10 o  668.825   22.213 183371.00 12062.83 173037.70 17070.04 193678.50 17048.81  645.329   32.684  684.385   30.680 -39.05670 44.82746 
1 1 1   10   12   11 o  203.502   9.6983 16847.91  1602.52 18120.99  2961.45 16320.78  1905.62  209.840   17.542  199.848   11.796 9.991180 21.13915 
1 1 1   10   12   12 o  135.948   6.3747  7511.03  703.678  7596.74  992.023  7424.23  998.308  136.356   9.0108  134.776   9.1771 1.580002 12.86137 
1 1 1   10   12   13 o  255.354   9.6934 26544.99  2009.82 26380.88  2845.27 26708.42  2839.38  253.829   13.858  255.423   13.741 -1.593216 19.51553 
1 1 1   10   12   14 f  387.100   14.157 61252.04  4449.69 60461.81  6303.23 62037.08  6282.46  382.690   20.358  387.761   20.022 -5.071320 28.55436 
1 1 1   10   12   15 o  444.270   15.146 80879.42  5463.68 81073.16  7744.54 80687.42  7709.20  442.711   21.545  441.675   21.497 1.036224 30.43464 
1 1 1   10   12   16 o  182.569   8.3204 13581.76  1233.41 14534.15  1736.84 12612.81  1751.88  188.218   11.419  175.116   12.401 13.10182 16.85741 
1 1 1   10   12   17 o  164.546   8.0105 11047.22  1070.25 11864.45  1530.71 10265.61  1496.97  169.770   11.167  157.740   11.773 12.02998 16.22622 
1 1 1   10   12   18 o   93.677   10.232  3645.13  765.592  2598.71  2019.28  3820.80  827.364   78.624   26.597   95.807   10.826 -17.18269 28.71614 
1 1 1   10   12   19 o  217.230   11.586 19577.36  2036.14 24587.76  4191.38 18029.70  2329.48  237.217   22.012  207.461   13.909 29.75584 26.03804 
1 1 1   10   12   20 o   14.295   7.0164 -564.0192  279.776 -572.2986  291.394 -466.3582  1000.78   14.705   7.2063   35.644   16.128 -20.93827 17.66483 
1 1 1   10   12   21 o   25.741   11.025  -3.5243  411.073 -105.9694  432.440  957.006  1324.15   24.925   10.982   53.945   21.005 -29.01962 23.70229 
1 1 1   10   12   22 o   76.836   9.3720  2491.82  572.590  3378.27  684.662  429.170  1044.39   89.560   9.5629   44.113   18.138 45.44742 20.50488 
1 1 1   10   12   23 o  120.419   9.4455  6125.93  916.142  6610.07  1197.60  5442.91  1422.47  123.623   12.085  109.237   16.556 14.38625 20.49806 
1 1 1   10   12   24 o   19.420   9.0300 -277.8853  344.240   56.181  371.969 -2271.2029  908.611   25.052   10.600   23.077   11.547 1.975128 15.67403 
1 1 1   10   12   25 o   48.770   13.663  1141.76  562.637  1141.76  562.637   0.0000   0.0000   48.770   13.663  ?   ?  0.000000 13.66251 
1 1 1   10   14    0 o  298.357   16.047 36299.02  3873.29   0.0000   0.0000 36299.02  3873.29  ?   ?   298.357   16.047 0.000000 16.04737 
1 1 1   10   14    1 o  1016.95   40.016 423843.81 33042.51 446876.19 57240.25 412333.00 40465.49  1032.75   68.651  1000.46   49.813 32.28589 84.81961 
1 1 1   10   14    2 o  1101.11   43.062 497701.81 38499.98 505682.00 66655.83 493706.59 47162.59  1095.21   75.415  1093.55   53.115 1.658447 92.24226 
1 1 1   10   14    3 o  724.970   35.070 215007.50 20644.25 219495.91 29231.79 210541.41 29159.10  728.097   49.743  712.750   50.716 15.34711 71.03854 
1 1 1   10   14    4 o  480.174   23.497 93954.05  9161.18 107962.70 13006.07 80159.63 12906.24  513.046   31.372  440.930   36.374 72.11542 48.03374 
1 1 1   10   14    5 o  768.236   36.857 242154.41 22990.46 263355.59 32570.77 221101.80 32456.37  795.937   50.661  727.339   55.373 68.59790 75.05166 
1 1 1   10   14    6 o  534.511   26.060 116783.40 11310.38 126401.60 16060.25 107319.30 15931.12  553.276   35.945  508.876   38.850 44.39923 52.92753 
1 1 1   10   14    7 o  476.251   18.118 92484.23  7006.10 100923.20 12315.14 88446.02  8519.03  494.557   30.821  465.183   22.554 29.37396 38.19213 
1 1 1   10   14    8 o  645.409   32.011 172065.91 16775.38 167360.41 23918.51 176621.30 23534.09  628.664   47.202  647.069   45.074 -18.40515 65.26644 
1 1 1   10   14    9 o  533.559   21.370 116621.70  9258.36 116701.50 16230.60 116583.20 11272.14  527.346   38.163  532.307   26.080 -4.960632 46.22333 
1 1 1   10   14   10 o  128.954   8.1433  6787.86  848.282  6278.87  1699.90  6956.64  978.872  122.730   17.559  130.449   9.3026 -7.718681 19.87073 
1 1 1   10   14   11 o  243.588   11.154 24163.18  2206.12 25417.97  4056.35 23636.13  2628.92  248.151   20.310  240.368   13.525 7.782654 24.40090 
1 1 1   10   14   12 o  516.735   20.802 109731.70  8727.87 112567.60 15365.90 108381.10 10604.59  515.523   36.954  511.986   25.509 3.536560 44.90351 
1 1 1   10   14   13 o  545.199   22.501 122678.00  9960.96 115506.60 17522.04 126102.10 12107.70  517.174   42.091  550.745   27.075 -33.57104 50.04757 
1 1 1   10   14   14 o  365.113   12.630 54451.59  3744.27 54406.37  5319.00 54496.02  5271.72  363.822   18.005  364.166   17.829 -0.3433228 25.33868 
1 1 1   10   14   15 o  278.333   12.720 31694.12  2874.70 30391.39  5324.83 32229.99  3415.15  268.693   24.683  279.849   15.085 -11.15527 28.92760 
1 1 1   10   14   16 o  124.939   9.7358  6415.21  979.859  9344.93  2369.29  5810.73  1076.21  148.471   20.176  118.606   11.312 29.86546 23.13090 
1 1 1   10   14   17 o  101.142   13.608  4298.66  1089.20  1782.46  2213.67  5102.40  1251.12   72.352   27.416  110.154   14.327 -37.80205 30.93351 
1 1 1   10   14   18 o  119.142   8.4782  5844.36  814.826  5867.92  977.536  5790.71  1474.95  119.011   10.215  116.560   16.007 2.451553 18.98864 
1 1 1   10   14   19 o  150.830   9.8014  9416.67  1193.86 10025.41  1441.01  8084.30  2131.90  155.091   11.525  135.668   19.949 19.42245 23.03876 
1 1 1   10   14   20 o  159.797   8.6942 10554.47  1123.83 11093.05  1534.13  9930.73  1650.97  162.687   11.692  153.125   13.414 9.562439 17.79403 
1 1 1   10   14   21 o  115.672   8.3596  5556.10  779.864  5214.28  1015.27  6048.05  1217.98  110.964   11.432  118.987   12.809 -8.022682 17.16830 
1 1 1   10   14   22 o   73.928   9.4722  2318.36  555.516  2711.78  644.750  1184.81  1094.42   79.791   10.184   53.492   19.460 26.29925 21.96371 
1 1 1   10   14   23 o   34.140   11.698  472.810  390.653  637.062  430.642 -290.4031  928.292   38.427   12.247   34.386   15.548 4.041061 19.79248 
1 1 1   10   14   24 o   27.419   11.661   74.156  454.124  159.620  484.885 -536.0285  1295.62   29.451   12.257   37.747   17.541 -8.296526 21.39871 
1 1 1   10   16    0 o  746.666   36.313 228542.20 22015.43   0.0000   0.0000 228542.20 22015.43  ?   ?   746.666   36.313 0.000000 36.31304 
1 1 1   10   16    1 f  540.703   21.937 119123.80  9631.21 117845.30 16708.67 119759.90 11786.30  534.391   38.771  541.663   26.798 -7.272095 47.13141 
1 1 1   10   16    2 f  147.250   9.0872  8842.09  1081.18 11514.93  1906.98  7575.94  1312.51  167.686   14.138  135.997   12.009 31.68843 18.54999 
1 1 1   10   16    3 o  583.653   28.703 139320.59 13602.55 140406.50 19291.90 138246.91 19182.40  582.314   41.065  577.775   41.158 4.539124 58.14041 
1 1 1   10   16    4 o  1027.17   50.168 439790.00 41841.16 442273.19 59229.39 437316.31 59115.45  1013.73   72.435  1007.78   72.732 5.952148 102.6487 
1 1 1   10   16    5 o  567.542   28.113 132101.59 12954.98 130712.30 18397.84 133468.00 18245.33  560.072   40.735  566.254   39.939 -6.181519 57.04792 
1 1 1   10   16    6 o  275.019   22.265 31144.73  4929.18 31144.73  4929.18   0.0000   0.0000  275.019   22.265  ?   ?  0.000000 22.26465 
1 1 1   10   16    7 o  373.407   14.590 56831.39  4423.53 65518.17  7906.89 52873.90  5336.86  398.769   24.539  359.299   18.355 39.46964 30.64405 
1 1 1   10   16    8 o  277.886   13.029 31458.92  2939.76 27143.56  5345.93 33329.53  3519.71  255.518   26.135  285.446   15.241 -29.92754 30.25422 
1 1 1   10   16    9 o   88.640   8.0217  3220.49  571.087  2507.99  1287.12  3395.14  637.246   76.876   20.314   90.953   8.7363 -14.07709 22.11327 
1 1 1   10   16   10 o  215.927   9.7956 18974.15  1717.41 22902.35  3230.05 17425.95  2027.80  236.068   16.964  206.443   12.151 29.62489 20.86705 
1 1 1   10   16   11 o  320.353   13.186 41869.42  3429.90 48535.13  6217.85 38954.04  4112.11  342.615   22.476  308.143   16.495 34.47192 27.87891 
1 1 1   10   16   12 o  311.513   13.665 39634.91  3456.34 38265.18  6305.06 40223.34  4132.62  302.701   25.902  313.003   16.317 -10.30151 30.61346 
1 1 1   10   16   13 o  331.282   14.456 44903.96  3888.44 44052.53  7097.77 45269.09  4647.99  323.893   27.242  331.630   17.321 -7.737671 32.28223 
1 1 1   10   16   14 o  270.412   13.094 29916.82  2874.89 22230.62  5323.25 33081.75  3415.88  227.914   29.454  283.660   14.883 -55.74606 33.00088 
1 1 1   10   16   15 o  222.187   13.704 20344.23  2460.27 25764.11  3911.32 16795.88  3164.76  248.341   19.555  200.154   19.730 48.18660 27.77908 
1 1 1   10   16   16 o  248.125   15.118 25580.36  3031.37 28393.28  4717.97 23602.67  3956.00  257.834   22.770  235.869   20.872 21.96553 30.88839 
1 1 1   10   16   17 o  363.891   15.689 55314.23  4635.54 64778.34  8635.01 51482.56  5494.36  381.412   28.080  347.915   19.528 33.49673 34.20284 
1 1 1   10   16   18 f  248.122   12.315 25554.83  2481.10 32007.05  5092.63 23546.69  2841.09  269.194   23.536  236.573   14.866 32.62021 27.83752 
1 1 1   10   16   19 o  138.154   8.6124  7883.68  961.296  9050.18  1289.38  6423.87  1442.41  147.342   10.854  122.569   14.792 24.77286 18.34725 
1 1 1   10   16   20 o  140.080   8.6549  8132.65  979.594  9021.21  1298.89  6960.64  1491.75  146.669   10.987  127.092   14.729 19.57710 18.37504 
1 1 1   10   16   21 o   15.533   7.6557 -729.5082  344.368 -685.9401  368.706 -1027.2111  963.802   16.728   8.1783   30.524   14.476 -13.79550 16.62646 
1 1 1   10   16   22 o  111.854   9.1091  5272.75  820.116  5745.87  1027.98  4444.38  1360.23  115.812   11.066   97.807   17.783 18.00485 20.94512 
1 1 1   10   16   23 o  167.406   10.979 12143.01  1484.12 14970.24  2116.22  9406.69  2081.92  181.870   14.450  139.066   18.929 42.80382 23.81414 
1 1 1   10   16   24 o   46.728   12.403  1021.25  478.419  1021.25  478.419   0.0000   0.0000   46.728   12.403  ?   ?  0.000000 12.40285 
1 1 1   10   18    0 o  422.395   21.841 73067.80  7465.11   0.0000   0.0000 73067.80  7465.11  ?   ?   422.395   21.841 0.000000 21.84074 
1 1 1   10   18    1 o  249.551   11.904 25329.86  2412.00 28336.83  4248.07 23899.27  2930.11  262.745   20.064  241.808   14.998 20.93678 25.04967 
1 1 1   10   18    2 o  413.554   17.727 69739.75  5952.72 76490.13 10325.69 66379.52  7285.18  430.416   29.728  402.334   22.389 28.08148 37.21581 
1 1 1   10   18    3 o  552.820   28.730 125970.20 12851.45 145620.50 18069.60 105856.00 18281.65  591.311   37.834  500.886   45.446 90.42514 59.13275 
1 1 1   10   18    4 o  397.458   29.933 65469.17  9589.28 65469.17  9589.28   0.0000   0.0000  397.458   29.933  ?   ?  0.000000 29.93345 
1 1 1   10   18    5 o  508.756   26.015 106693.30 10710.49 99587.23 15238.88 113630.30 15056.60  486.953   38.865  521.636   35.764 -34.68347 52.81665 
1 1 1   10   18    6 o  686.249   33.871 195633.00 18873.41 201412.59 26807.11 189952.41 26576.44  686.805   48.380  666.140   49.489 20.66547 69.20782 
1 1 1   10   18    7 o  305.106   12.562 37922.34  3112.01 41730.46  5698.75 36304.17  3714.81  318.160   22.199  297.877   15.412 20.28333 27.02407 
1 1 1   10   18    8 o  230.545   11.693 21703.17  2181.63 16189.90  4114.06 23860.03  2573.22  196.398   26.473  241.578   13.168 -45.18019 29.56720 
1 1 1   10   18    9 o  468.103   20.199 89905.05  7677.36 82609.85 13621.98 93301.07  9294.09  441.213   38.407  475.201   24.167 -33.98813 45.37759 
1 1 1   10   18   10 o  383.961   16.619 60334.20  5181.10 54543.38  9302.51 62938.31  6238.22  359.845   32.178  391.047   19.710 -31.20227 37.73446 
1 1 1   10   18   11 o   60.274   9.8951  1518.19  467.459  4451.61  1089.12  855.774  517.555  103.586   13.253   45.369   13.233 58.21701 18.72816 
1 1 1   10   18   12 f  186.926   13.083 14345.32  1973.21 15002.58  3061.82 13878.45  2580.56  189.766   20.181  183.018   17.582 6.747986 26.76532 
1 1 1   10   18   13 o  347.910   18.740 50052.27  5274.34 52925.05  7755.27 47580.02  7194.35  354.304   27.165  336.107   26.579 18.19720 38.00444 
1 1 1   10   18   14 o  313.160   17.119 40610.01  4336.54 48589.87  6606.67 34569.32  5748.15  339.461   24.126  285.648   25.036 53.81369 34.76889 
1 1 1   10   18   15 o  153.049   10.194  9632.60  1259.55 11107.73  3191.35  9360.42  1370.84  159.522   25.497  150.643   11.289 8.879242 27.88469 
1 1 1   10   18   16 o  256.331   12.578 27144.70  2617.86 30444.89  5377.92 26119.87  2996.89  263.559   25.447  250.204   14.818 13.35512 29.44647 
1 1 1   10   18   17 o  172.829   10.853 12372.10  1515.33 11539.13  3531.08 12560.13  1677.66  158.139   28.550  173.775   11.963 -15.63625 30.95533 
1 1 1   10   18   18 o   65.597   15.086  1883.11  786.737  4273.25  2939.14  1698.64  816.533   94.654   32.088   62.161   16.062 32.49299 35.88405 
1 1 1   10   18   19 o   57.812   16.521  1475.15  814.275  1218.79  2685.24  1501.11  854.511   68.594   28.720   58.321   17.001 10.27301 33.37493 
1 1 1   10   18   20 o  115.746   13.502  5768.08  1245.11  9162.58  3973.82  5398.54  1311.13  126.015   36.642  111.266   14.886 14.74848 39.54999 
1 1 1   10   18   21 o   48.951   18.446  911.268  998.629   0.0000   0.0000  911.268  998.629  ?   ?    48.951   18.446 0.000000 18.44583 
1 1 1   10   18   22 o  106.962   16.654  5311.81  1399.30   0.0000   0.0000  5311.81  1399.30  ?   ?   106.962   16.654 0.000000 16.65380 
1 1 1   10   18   23 f   39.319   17.386   94.190  1093.49   0.0000   0.0000   94.190  1093.49  ?   ?    39.319   17.386 0.000000 17.38622 
1 1 1   10   20    0 o  325.833   25.826 43926.65  6776.73   0.0000   0.0000 43926.65  6776.73  ?   ?   325.833   25.826 0.000000 25.82613 
1 1 1   10   20    1 o  470.934   24.693 91360.86  9409.45   0.0000   0.0000 91360.86  9409.45  ?   ?   470.934   24.693 0.000000 24.69342 
1 1 1   10   20    2 o  375.267   16.606 57488.84  5059.90 55798.09  8806.01 58322.20  6182.40  366.317   29.866  376.939   20.274 -10.62143 36.09764 
1 1 1   10   20    3 o  522.416   22.307 111933.60  9462.29 119527.60 16402.72 108145.90 11584.10  533.454   38.120  511.284   28.010 22.16956 47.30432 
1 1 1   10   20    4 o  135.214   11.975  7503.14  1301.18  8082.55  1934.22  7024.17  1758.59  139.581   17.447  130.040   17.067 9.541275 24.40714 
1 1 1   10   20    5 o  352.540   18.966 51006.95  5408.97 52642.26  7769.05 49468.61  7535.18  356.207   27.064  345.233   27.099 10.97418 38.29853 
1 1 1   10   20    6 o  166.025   12.465 11294.66  1668.17 13224.37  2497.86  9741.10  2241.23  179.011   17.405  153.214   18.383 25.79695 25.31521 
1 1 1   10   20    7 o  213.074   14.109 18605.91  2427.24 16616.44  3599.55 20264.86  3286.98  199.785   22.586  221.710   18.426 -21.92567 29.14862 
1 1 1   10   20    8 o  301.789   12.189 37129.25  2986.76 43592.66  5612.67 34575.87  3527.73  324.931   21.393  290.537   15.005 34.39346 26.13091 
1 1 1   10   20    9 o  312.051   17.267 40015.72  4357.99 42803.34  6390.91 37592.90  5958.08  320.786   24.727  300.543   24.632 20.24316 34.90199 
1 1 1   10   20   10 o  445.057   23.013 82089.94  8287.65 86132.69 11951.12 78344.84 11502.75  451.225   32.845  430.056   33.198 21.16931 46.70012 
1 1 1   10   20   11 o  100.661   13.653  4217.66  1087.11  4270.64  1842.84  4189.38  1346.33   99.586   23.218   99.624   17.270 -0.3779602E-01 28.93651 
1 1 1   10   20   12 o  110.199   8.5593  4976.45  759.860  8303.96  1795.21  4250.18  838.694  141.327   15.922  101.551   10.315 39.77507 18.97066 
1 1 1   10   20   13 o  235.463   11.312 22681.22  2162.80 30119.54  4609.56 20581.43  2449.12  267.960   21.364  223.532   13.558 44.42752 25.30259 
1 1 1   10   20   14 o   70.562   12.517  2106.37  690.891  2161.38  2184.37  2100.26  728.278   75.969   27.515   70.311   13.242 5.658592 30.53547 
1 1 1   10   20   15 o  219.101   11.326 19813.18  2008.06 27341.25  4561.75 18003.85  2236.39  251.760   22.555  208.182   13.300 43.57874 26.18375 
1 1 1   10   20   16 o  333.908   15.018 46653.89  4071.67 55259.91  8032.55 43677.98  4723.48  349.259   28.575  320.388   18.233 28.87186 33.89626 
1 1 1   10   20   17 o  135.978   11.600  7726.43  1268.49 11513.46  3685.86  7217.64  1351.02  155.211   30.334  130.964   12.871 24.24716 32.95205 
1 1 1   10   20   18 o  147.263   11.897  9110.74  1410.42 12821.53  3664.95  8465.62  1528.11  163.260   28.694  141.245   13.488 22.01436 31.70652 
1 1 1   10   20   19 o  104.031   14.199  4686.72  1168.05  3011.73  3489.35  4898.10  1239.57   82.757   33.481  106.115   14.788 -23.35843 36.60181 
1 1 1   10   20   20 o   59.485   19.262  1608.58  1062.08 -3497.7161  4208.08  1955.99  1097.61   59.141   28.616   64.785   19.369 -5.644585 34.55521 
1 1 1   10   20   21 o   30.628   14.667 -1204.6240  1040.17   0.0000   0.0000 -1204.6240  1040.17  ?   ?    30.628   14.667 0.000000 14.66708 
1 1 1   10   20   22 o   44.529   18.103  667.854  1025.65   0.0000   0.0000  667.854  1025.65  ?   ?    44.529   18.103 0.000000 18.10316 
1 1 1   10   22    0 o  330.378   18.747 44818.38  5008.21   0.0000   0.0000 44818.38  5008.21  ?   ?   330.378   18.747 0.000000 18.74676 
1 1 1   10   22    1 o  216.012   14.728 19127.40  2567.75   0.0000   0.0000 19127.40  2567.75  ?   ?   216.012   14.728 0.000000 14.72776 
1 1 1   10   22    2 o  524.993   22.480 113248.90  9582.85 122778.00 16695.79 108567.30 11702.41  539.292   38.379  511.516   28.286 27.77551 47.67596 
1 1 1   10   22    3 o  397.440   17.584 64615.77  5674.59 66235.51  9881.53 63818.78  6931.46  398.192   30.802  393.612   21.773 4.580811 37.72043 
1 1 1   10   22    4 o   85.738   11.580  3048.46  785.543  3049.45  1338.75  3047.94  970.104   84.571   19.838   85.244   14.537 -0.6732788 24.59451 
1 1 1   10   22    5 o  256.917   16.093 27087.72  3340.28 22858.58  4869.84 30845.27  4590.30  233.782   26.100  273.278   20.844 -39.49573 33.40205 
1 1 1   10   22    6 o  292.032   17.299 35039.81  4083.59 32720.19  5964.42 37086.59  5602.69  279.892   26.563  299.069   23.255 -19.17667 35.30400 
1 1 1   10   22    7 o  259.066   15.991 27565.33  3347.28 26687.58  4929.31 28316.41  4559.80  252.990   24.295  261.343   21.684 -8.353790 32.56446 
1 1 1   10   22    8 o  132.251   13.074  7210.21  1385.52  6377.60  2274.70  7701.32  1746.99  122.179   23.785  136.211   16.108 -14.03223 28.72576 
1 1 1   10   22    9 o  334.978   14.485 45910.95  3939.89 43389.73  7385.88 46913.71  4657.95  320.901   28.647  337.699   17.042 -16.79868 33.33335 
1 1 1   10   22   10 o  315.561   13.840 40753.38  3546.16 40299.70  6765.73 40925.23  4163.94  309.191   27.227  315.327   16.319 -6.136230 31.74323 
1 1 1   10   22   11 o  245.109   12.012 24568.36  2390.69 23727.54  4804.69 24845.03  2756.08  236.711   25.395  245.811   13.865 -9.100174 28.93357 
1 1 1   10   22   12 o   45.734   13.263  876.364  521.269  1753.20  2082.95  817.781  538.400   71.805   26.722   44.554   13.621 27.25090 29.99269 
1 1 1   10   22   13 o  251.498   12.553 26031.57  2563.48 27145.99  5448.07 25714.69  2905.17  249.383   27.354  249.028   14.429 0.3547058 30.92686 
1 1 1   10   22   14 o  223.709   11.830 20691.23  2141.16 21946.78  4668.62 20356.80  2409.51  222.842   26.309  221.298   13.474 1.543900 29.55889 
1 1 1   10   22   15 o  149.735   10.812  9293.51  1305.69 11599.09  3806.22  8986.01  1390.04  157.148   30.931  146.950   11.748 10.19836 33.08671 
1 1 1   10   22   16 o  208.625   12.270 18167.67  2069.37 20550.21  5095.01 17696.99  2264.57  207.708   31.172  205.223   13.668 2.484329 34.03739 
1 1 1   10   22   17 o  107.308   12.674  4884.24  1082.94  7589.29  3925.27  4661.38  1126.67  118.854   36.851  104.464   13.606 14.38949 39.28263 
1 1 1   10   22   18 o   97.615   14.519  4140.43  1115.70  9787.43  4240.78  3720.50  1156.44  130.793   37.801   91.762   16.109 39.03100 41.09028 
1 1 1   10   22   19 o   40.783   17.179  232.736  970.148  7157.63  4345.40 -130.5385  995.270  105.833   38.734   37.709   16.635 68.12379 42.15532 
1 1 1   10   22   20 o   43.655   17.595  553.539  959.730   0.0000   0.0000  553.539  959.730  ?   ?    43.655   17.595 0.000000 17.59509 
1 1 1   10   22   21 o  110.449   17.966  5860.94  1555.86   0.0000   0.0000  5860.94  1555.86  ?   ?   110.449   17.966 0.000000 17.96640 
1 1 1   10   22   22 o   83.682   27.637  4772.00  2182.06   0.0000   0.0000  4772.00  2182.06  ?   ?    83.682   27.637 0.000000 27.63744 
1 1 1   10   24    0 o  207.095   21.937 17841.93  3632.63   0.0000   0.0000 17841.93  3632.63  ?   ?   207.095   21.937 0.000000 21.93690 
1 1 1   10   24    1 o  387.170   30.751 62878.67  9587.56   0.0000   0.0000 62878.67  9587.56  ?   ?   387.170   30.751 0.000000 30.75096 
1 1 1   10   24    2 o  288.861   17.797 34316.44  4153.77 33829.66  6087.79 34740.46  5681.83  284.540   26.661  289.023   24.440 -4.482086 36.16796 
1 1 1   10   24    3 o  703.417   36.546 209473.80 20801.30 201778.30 29645.02 216937.41 29195.11  673.596   54.674  701.866   51.591 -28.26978 75.17192 
1 1 1   10   24    4 o  516.275   27.068 110983.30 11307.14 112409.20 16231.60 109639.00 15760.25  512.613   39.296  506.676   38.599 5.937134 55.08244 
1 1 1   10   24    5 o  514.375   22.778 109259.40  9513.52 111237.90 16465.57 108267.90 11656.00  508.700   40.191  508.979   28.316 -0.2790222 49.16413 
1 1 1   10   24    6 o  381.536   21.445 60235.29  6616.62 56711.91  9611.19 63409.51  9122.55  365.632   32.720  388.450   29.135 -22.81799 43.81147 
1 1 1   10   24    7 o  356.771   20.282 52642.34  5851.12 52098.68  8585.22 53113.90  7995.67  350.943   30.430  355.486   27.926 -4.542847 41.30136 
1 1 1   10   24    8 o  303.358   14.779 37702.44  3640.33 32569.78  6996.93 39607.44  4262.69  275.869   31.820  310.027   16.998 -34.15845 36.07600 
1 1 1   10   24    9 o  329.112   14.789 44437.37  3951.95 42714.05  7630.23 45069.14  4619.90  316.308   30.071  330.384   17.282 -14.07574 34.68300 
1 1 1   10   24   10 o  116.643   10.323  5600.83  967.643  1463.79  2430.13  6380.36  1054.88   72.643   28.408  124.522   10.532 -51.87928 30.29752 
1 1 1   10   24   11 f   50.718   12.605  1098.11  516.844  6499.97  2608.72  877.416  527.296  121.020   27.209   45.752   13.360 75.26788 30.31206 
1 1 1   10   24   12 o  157.745   9.9699 10238.72  1270.42 18008.49  3592.36  9128.11  1358.18  204.903   21.933  148.609   11.341 56.29390 24.69149 
1 1 1   10   24   13 o  196.956   11.245 16035.54  1790.81 15909.62  4430.03 16060.14  1957.91  186.387   30.314  196.758   12.317 -10.37033 32.72061 
1 1 1   10   24   14 o  185.969   11.342 14347.32  1704.50 15966.21  4634.43 14094.08  1832.97  183.570   32.270  183.953   12.343 -0.3833313 34.55056 
1 1 1   10   24   15 o  137.978   12.039  7973.95  1335.28  2484.25  3750.44  8770.83  1428.91   84.663   34.541  144.667   12.281 -60.00384 36.65895 
1 1 1   10   24   16 o   97.483   13.884  4077.56  1067.88  4727.40  3481.84  4010.08  1121.96   97.143   34.794   96.308   14.823 0.8354263 37.82017 
1 1 1   10   24   17 o  113.457   13.735  5533.46  1239.58  3718.09  3972.82  5729.25  1304.71   88.689   35.780  115.237   14.247 -26.54802 38.51236 
1 1 1   10   24   18 o   32.058   14.185 -154.1921  728.955  326.711  3714.16 -173.4583  743.414   68.329   30.980   32.191   14.280 36.13778 34.11272 
1 1 1   10   24   19 f   91.176   15.762  3769.45  1124.70   0.0000   0.0000  3769.45  1124.70  ?   ?    91.176   15.762 0.000000 15.76238 
1 1 1   10   24   20 f  104.009   16.351  5049.51  1335.34   0.0000   0.0000  5049.51  1335.34  ?   ?   104.009   16.351 0.000000 16.35139 
1 1 1   10   24   21 o   88.329   20.541  4155.83  1445.37   0.0000   0.0000  4155.83  1445.37  ?   ?    88.329   20.541 0.000000 20.54114 
1 1 1   10   26    0 o  389.750   31.955 64311.59 10023.53   0.0000   0.0000 64311.59 10023.53  ?   ?   389.750   31.955 0.000000 31.95457 
1 1 1   10   26    1 o  423.463   23.645 74487.22  8097.62   0.0000   0.0000 74487.22  8097.62  ?   ?   423.463   23.645 0.000000 23.64509 
1 1 1   10   26    2 o  331.984   19.961 45554.50  5355.71   0.0000   0.0000 45554.50  5355.71  ?   ?   331.984   19.961 0.000000 19.96111 
1 1 1   10   26    3 o  277.554   15.301 31644.54  3434.91 31348.47  6129.65 31780.06  4147.25  272.538   28.103  277.403   18.519 -4.864441 33.65563 
1 1 1   10   26    4 o   91.449   16.497  3533.70  1179.87 -508.1913  2161.62  5248.90  1408.13   55.970   24.610  112.065   15.923 -56.09567 29.31181 
1 1 1   10   26    5 o  168.132   13.813 11643.68  1869.08 11693.05  3304.69 11620.46  2266.41  165.758   25.360  167.368   16.909 -1.609772 30.48050 
1 1 1   10   26    6 o  229.481   16.806 21764.84  3109.75 19551.67  4774.88 23395.02  4098.00  214.000   28.164  236.652   21.563 -22.65253 35.47077 
1 1 1   10   26    7 o  383.445   22.115 61370.51  6856.23 60112.23 10112.66 62440.92  9327.25  372.819   33.773  382.280   30.297 -9.461456 45.37121 
1 1 1   10   26    8 o  268.397   17.759 29922.14  3848.24 29860.29  5942.50 29966.81  5050.19  263.699   28.191  266.327   23.598 -2.628357 36.76372 
1 1 1   10   26    9 o  143.545   9.4410  8456.05  1094.24 12845.23  3551.03  7995.55  1150.21  171.885   26.278  139.432   10.231 32.45226 28.19981 
1 1 1   10   26   10 o  316.905   13.476 41447.51  3467.57 55580.13  7347.96 37398.48  3933.06  358.872   25.380  299.524   16.232 59.34760 30.12742 
1 1 1   10   26   11 o  128.288   10.006  6795.02  1034.07  2386.10  3665.35  7176.29  1077.86   86.577   34.564  131.827   10.148 -45.25016 36.02276 
1 1 1   10   26   12 o  227.812   11.132 21409.50  2059.18 34193.08  5272.40 19108.59  2236.83  279.618   23.439  214.273   12.917 65.34515 26.76218 
1 1 1   10   26   13 o  307.204   14.052 39465.79  3505.16 44562.51  7482.71 38033.01  3967.37  309.725   30.136  299.632   16.369 10.09222 34.29432 
1 1 1   10   26   14 o   99.616   11.557  4175.42  917.452  1811.98  3341.41  4368.13  954.122   77.967   32.289  101.857   11.752 -23.89071 34.36090 
1 1 1   10   26   15 o   97.919   12.759  4085.40  990.351  4476.79  4102.72  4061.18  1020.53   95.566   37.039   97.451   13.240 -1.884964 39.33455 
1 1 1   10   26   16 o   72.072   14.971  2298.79  847.496 -835.1847  4555.67  2411.13  862.552   71.158   33.006   73.879   14.893 -2.721832 36.21080 
1 1 1   10   26   17 o  130.420   12.998  7321.86  1358.15  6949.76  5693.29  7344.32  1398.53  101.060   42.024  130.394   13.400 -29.33434 44.10839 
1 1 1   10   26   18 o   52.766   19.323  1175.11  1081.58   0.0000   0.0000  1175.11  1081.58  ?   ?    52.766   19.323 0.000000 19.32269 
1 1 1   10   26   19 o   67.510   18.777  2252.52  1066.68   0.0000   0.0000  2252.52  1066.68  ?   ?    67.510   18.777 0.000000 18.77655 
1 1 1   10   26   20 o   44.722   18.384  704.053  1072.50   0.0000   0.0000  704.053  1072.50  ?   ?    44.722   18.384 0.000000 18.38402 
1 1 1   10   28    0 o  178.718   17.314 13269.13  2480.97   0.0000   0.0000 13269.13  2480.97  ?   ?   178.718   17.314 0.000000 17.31388 
1 1 1   10   28    1 o  487.229   26.988 100010.60 10635.07   0.0000   0.0000 100010.60 10635.07  ?   ?   487.229   26.988 0.000000 26.98780 
1 1 1   10   28    2 o  167.728   17.722 11720.43  2376.95   0.0000   0.0000 11720.43  2376.95  ?   ?   167.728   17.722 0.000000 17.72163 
1 1 1   10   28    3 o  349.190   17.849 50442.08  5043.76 45180.24  9093.11 52780.43  6061.75  321.794   35.386  355.924   21.069 -34.12988 41.18323 
1 1 1   10   28    4 o  283.189   16.227 33137.23  3715.58 31924.43  6664.97 33684.12  4475.58  271.934   30.724  284.432   19.497 -12.49780 36.38813 
1 1 1   10   28    5 o  165.853   14.727 11401.72  1962.61 10477.68  3670.20 11771.76  2322.57  153.995   30.431  167.908   17.283 -13.91241 34.99656 
1 1 1   10   28    6 o  124.296   16.084  6486.13  1585.16  6020.17  2777.73  6711.15  1930.34  116.110   29.426  125.520   19.579 -9.409958 35.34435 
1 1 1   10   28    7 o  314.904   20.164 41754.59  5128.75 45677.25  7929.63 38933.49  6724.69  322.076   30.693  299.131   28.013 22.94498 41.55483 
1 1 1   10   28    8 o  239.838   18.471 24245.23  3569.42 26259.54  5983.71 23132.51  4447.35  241.852   31.198  231.342   24.026 10.50922 39.37757 
1 1 1   10   28    9 o  201.784   11.773 16840.39  1920.48 21386.68  5215.38 16127.23  2065.62  217.138   30.416  197.059   12.982 20.07887 33.07037 
1 1 1   10   28   10 o   83.570   9.2750  2900.49  618.749  5733.60  3590.49  2813.78  628.146  109.606   35.409   82.233   9.5876 27.37270 36.68356 
1 1 1   10   28   11 o  214.874   11.591 19164.17  2014.80 22289.95  5335.26 18644.26  2175.92  218.283   30.971  211.454   12.733 6.828537 33.48586 
1 1 1   10   28   12 o   63.744   11.837  1738.79  590.077 -3538.3789  3977.16  1857.57  596.680   61.295   29.167   66.007   11.554 -4.711189 31.37226 
1 1 1   10   28   13 o  147.904   10.753  9123.49  1282.50  9517.48  5010.21  9095.87  1326.70  129.132   41.839  147.530   11.158 -18.39777 43.30098 
1 1 1   10   28   14 o  103.197   11.313  4495.95  932.373  461.306  4839.97  4651.45  950.170   78.424   35.478  104.979   11.326 -26.55501 37.24251 
1 1 1   10   28   15 o   34.532   14.269  193.340  650.532  122.243  3905.17  195.369  659.750   69.914   31.725   34.753   14.366 35.16089 34.82632 
1 1 1   10   28   16 o  140.081   12.534  8424.71  1410.61  8702.71  6066.03  8408.82  1450.37  106.592   43.758  139.706   12.932 -33.11433 45.62898 
1 1 1   10   28   17 o  106.371   14.494  5045.52  1219.21   0.0000   0.0000  5045.52  1219.21  ?   ?   106.371   14.494 0.000000 14.49352 
1 1 1   10   28   18 o   56.736   20.021  1549.97  1148.79   0.0000   0.0000  1549.97  1148.79  ?   ?    56.736   20.021 0.000000 20.02150 
1 1 1   10   28   19 f   36.836   16.481 -42.8363  1012.44   0.0000   0.0000 -42.8363  1012.44  ?   ?    36.836   16.481 0.000000 16.48089 
1 1 1   10   30    0 o  324.525   21.517 44454.67  5637.54   0.0000   0.0000 44454.67  5637.54  ?   ?   324.525   21.517 0.000000 21.51657 
1 1 1   10   30    1 o  433.362   25.779 80440.38  9030.19   0.0000   0.0000 80440.38  9030.19  ?   ?   433.362   25.779 0.000000 25.77939 
1 1 1   10   30    2 o  282.640   20.125 33647.59  4588.36   0.0000   0.0000 33647.59  4588.36  ?   ?   282.640   20.125 0.000000 20.12478 
1 1 1   10   30    3 o  387.115   23.924 64031.93  7483.04   0.0000   0.0000 64031.93  7483.04  ?   ?   387.115   23.924 0.000000 23.92395 
1 1 1   10   30    4 o  171.768   16.778 12396.58  2310.18 12714.70  4844.87 12302.96  2628.20  164.153   37.208  170.176   19.365 -6.023209 41.94620 
1 1 1   10   30    5 o  109.227   19.765  5171.18  1688.42  5051.58  3816.74  5200.28  1882.65  106.256   36.557  108.788   22.068 -2.532272 42.70120 
1 1 1   10   30    6 f  281.842   18.381 33583.89  4183.29 33828.54  7758.59 33483.62  4967.17  268.037   36.606  278.978   22.109 -10.94131 42.76488 
1 1 1   10   30    7 o  239.008   17.646 24189.62  3400.33 21064.00  6574.86 25330.87  3972.90  205.824   40.783  243.004   20.322 -37.18030 45.56604 
1 1 1   10   30    8 o  174.219   19.913 13119.23  2766.33  6435.18  5465.47 15421.34  3207.53  115.224   43.205  188.209   21.368 -72.98560 48.19984 
1 1 1   10   30    9 o  176.752   10.449 12933.60  1492.90 19642.29  5360.14 12369.43  1554.41  201.822   33.912  172.609   11.150 29.21227 35.69803 
1 1 1   10   30   10 o  175.898   11.052 12865.59  1570.42 18778.41  5610.58 12362.96  1635.81  192.285   37.281  172.140   11.774 20.14484 39.09619 
1 1 1   10   30   11 o   71.439   10.872  2162.78  610.763 -1281.4080  3873.95  2250.57  618.498   67.098   30.878   72.930   10.769 -5.832024 32.70164 
1 1 1   10   30   12 o  107.425   11.155  4857.44  958.847  5218.58  5317.80  4845.31  974.824  100.968   41.154  107.216   11.371 -6.248062 42.69622 
1 1 1   10   30   13 o   44.710   14.404  840.919  594.472  2468.11  5312.05  820.282  598.230   86.511   38.284   44.325   14.463 42.18565 40.92443 
1 1 1   10   30   14 o   48.234   16.312  977.365  759.505  5012.29  5734.15  905.313  766.256   94.076   40.740   47.067   16.369 47.00939 43.90553 
1 1 1   10   30   15 o  167.187   12.818 12058.19  1726.79 14113.66  6560.31 11905.18  1789.91  126.654   47.365  165.652   13.423 -38.99820 49.23047 
1 1 1   10   30   16 o   71.711   18.739  2489.04  1103.18   0.0000   0.0000  2489.04  1103.18  ?   ?    71.711   18.739 0.000000 18.73870 
1 1 1   10   30   17 o   49.241   18.918  1025.40  1063.18   0.0000   0.0000  1025.40  1063.18  ?   ?    49.241   18.918 0.000000 18.91772 
1 1 1   10   30   18 o   57.410   19.502  1737.83  1085.68   0.0000   0.0000  1737.83  1085.68  ?   ?    57.410   19.502 0.000000 19.50221 
1 1 1   10   32    0 o  253.134   20.717 27523.32  4220.70   0.0000   0.0000 27523.32  4220.70  ?   ?   253.134   20.717 0.000000 20.71651 
1 1 1   10   32    1 o  207.194   20.643 18487.19  3426.70   0.0000   0.0000 18487.19  3426.70  ?   ?   207.194   20.643 0.000000 20.64338 
1 1 1   10   32    2 o  304.959   22.438 40300.88  5517.07   0.0000   0.0000 40300.88  5517.07  ?   ?   304.959   22.438 0.000000 22.43830 
1 1 1   10   32    3 o  199.781   20.689 17245.94  3307.36   0.0000   0.0000 17245.94  3307.36  ?   ?   199.781   20.689 0.000000 20.68851 
1 1 1   10   32    4 o   46.902   20.348 -73.8010  1435.70   0.0000   0.0000 -73.8010  1435.70  ?   ?    46.902   20.348 0.000000 20.34814 
1 1 1   10   32    5 o  201.513   18.285 17390.14  2959.22 21693.70  6383.14 16211.99  3339.81  207.842   39.263  192.479   21.751 15.36284 44.88512 
1 1 1   10   32    6 o   79.672   23.965  2858.83  1676.49 -957.4741  4488.70  3477.50  1807.28   74.546   33.898   87.220   24.505 -12.67378 41.82840 
1 1 1   10   32    7 o  111.838   23.026  5679.66  2021.27 10543.33  5128.85  4785.37  2199.26  138.933   41.945  101.037   26.485 37.89602 49.60650 
1 1 1   10   32    8 o  130.019   24.078  7744.79  2448.29  9666.09  5612.69  7293.30  2720.79  129.441   44.341  123.863   27.742 5.578163 52.30408 
1 1 1   10   32    9 o   62.711   23.482  1492.94  1613.31 -4205.6099  4447.94  2356.20  1731.21   62.662   30.093   72.837   24.627 -10.17525 38.88535 
1 1 1   10   32   10 o  152.189   10.872  9691.61  1334.60  8722.04  6535.91  9733.79  1363.33  117.193   46.353  152.430   11.091 -35.23628 47.66189 
1 1 1   10   32   11 o  128.484   10.850  6941.38  1121.33  506.498  6537.58  7136.42  1138.20   84.709   39.376  130.285   10.858 -45.57625 40.84585 
1 1 1   10   32   12 o   23.316   10.342 -117.7808  389.866 -10458.9600  6085.35 -75.1607  390.668   59.918   29.966   23.946   10.497 35.97171 31.75128 
1 1 1   10   32   13 o  111.328   11.515  5300.17  1025.88 12027.18  7192.06  5160.46  1036.48  115.289   47.524  109.689   11.824 5.600258 48.97327 
1 1 1   10   32   14 o   99.729   12.410  4336.28  983.204   0.0000   0.0000  4336.28  983.204  ?   ?    99.729   12.410 0.000000 12.41022 
1 1 1   10   32   15 o   39.901   16.188  450.875  818.202   0.0000   0.0000  450.875  818.202  ?   ?    39.901   16.188 0.000000 16.18832 
1 1 1   10   32   16 o   29.248   13.750 -649.9274  834.897   0.0000   0.0000 -649.9274  834.897  ?   ?    29.248   13.750 0.000000 13.74951 
1 1 1   10   34    0 o  127.097   25.618  7466.91  2552.47   0.0000   0.0000  7466.91  2552.47  ?   ?   127.097   25.618 0.000000 25.61834 
1 1 1   10   34    1 o  353.358   25.955 56623.86  7394.77   0.0000   0.0000 56623.86  7394.77  ?   ?   353.358   25.955 0.000000 25.95502 
1 1 1   10   34    2 o   95.680   27.713  4334.41  2277.12   0.0000   0.0000  4334.41  2277.12  ?   ?    95.680   27.713 0.000000 27.71323 
1 1 1   10   34    3 o  100.553   25.874  4748.29  2124.72   0.0000   0.0000  4748.29  2124.72  ?   ?   100.553   25.874 0.000000 25.87354 
1 1 1   10   34    4 o  100.979   27.556  4876.74  2322.29   0.0000   0.0000  4876.74  2322.29  ?   ?   100.979   27.556 0.000000 27.55552 
1 1 1   10   34    5 o  196.255   21.714 17192.10  3402.18 17957.67  7734.92 17008.46  3788.31  165.052   51.822  192.654   24.793 -27.60240 57.44706 
1 1 1   10   34    6 o   71.889   26.394  2165.48  2019.95  2513.20  5672.36  2114.98  2161.66   91.110   39.968   72.156   27.149 18.95445 48.31656 
1 1 1   10   34    7 o  163.848   24.523 12487.52  3162.17 26953.07  7318.78  9167.32  3506.34  216.691   43.114  133.378   32.642 83.31334 54.07656 
1 1 1   10   34    8 o   82.888   29.129  3303.80  2429.39  8232.47  6331.94  2453.04  2630.72  112.916   45.306   76.234   29.628 36.68221 54.13322 
1 1 1   10   34    9 o  127.637   28.809  8253.98  2914.83 10518.32  7505.37  7851.79  3163.11  117.177   48.448  121.669   31.700 -4.491753 57.89750 
1 1 1   10   34   10 o  136.854   10.783  7907.12  1188.47  9469.35  8207.54  7873.66  1201.13  107.874   47.670  136.492   10.930 -28.61803 48.90649 
1 1 1   10   34   11 o   89.520   10.865  3425.32  773.598 -74.5986  8122.58  3457.36  777.130   81.681   39.580   89.946   10.861 -8.265305 41.04261 
1 1 1   10   34   12 o  136.105   11.816  7980.56  1292.87 10109.46  7778.37  7920.08  1311.11   99.395   44.970  135.432   12.049 -36.03664 46.55616 
1 1 1   10   34   13 o   90.719   12.479  3634.25  894.856   0.0000   0.0000  3634.25  894.856  ?   ?    90.719   12.479 0.000000 12.47873 
1 1 1   10   34   14 o   70.097   15.691  2337.74  870.818   0.0000   0.0000  2337.74  870.818  ?   ?    70.097   15.691 0.000000 15.69117 
1 1 1   10   34   15 o   35.140   15.304  119.522  818.333   0.0000   0.0000  119.522  818.333  ?   ?    35.140   15.304 0.000000 15.30374 
1 1 1   10   36    0 o   76.332   31.740  1952.43  3247.78   0.0000   0.0000  1952.43  3247.78  ?   ?    76.332   31.740 0.000000 31.74050 
1 1 1   10   36    1 o  143.221   29.894 10226.06  3364.11   0.0000   0.0000 10226.06  3364.11  ?   ?   143.221   29.894 0.000000 29.89429 
1 1 1   10   36    2 o   62.599   25.897  1046.99  2146.34   0.0000   0.0000  1046.99  2146.34  ?   ?    62.599   25.897 0.000000 25.89748 
1 1 1   10   36    3 o   78.029   31.024  2511.53  2941.96   0.0000   0.0000  2511.53  2941.96  ?   ?    78.029   31.024 0.000000 31.02420 
1 1 1   10   36    4 o  244.927   27.272 28975.95  5331.51   0.0000   0.0000 28975.95  5331.51  ?   ?   244.927   27.272 0.000000 27.27173 
1 1 1   10   36    5 o  161.954   30.115 13320.58  3814.41   0.0000   0.0000 13320.58  3814.41  ?   ?   161.954   30.115 0.000000 30.11500 
1 1 1   10   36    6 o  123.591   29.711  7930.03  2944.77 18167.65  7335.83  5963.44  3215.19  152.991   50.682  103.503   33.514 49.48827 60.76034 
1 1 1   10   36    7 o   91.331   30.692  4488.70  2688.75  4598.88  8178.82  4475.35  2846.99   94.236   43.884   90.808   31.554 3.427917 54.05053 
1 1 1   10   36    8 o   82.577   29.066  3597.57  2419.57  9502.79  8395.63  3062.69  2526.78  103.477   46.777   77.861   29.341 25.61569 55.21782 
1 1 1   10   36    9 o   66.875   28.343  1645.74  2666.93  6411.92  8616.81  1140.81  2804.65   91.878   43.489   64.667   28.242 27.21113 51.85508 
1 1 1   10   36   10 f   71.503   10.664  2214.18  600.179  6607.08  7558.65  2186.30  602.080   88.313   41.469   70.995   10.784 17.31796 42.84811 
1 1 1   10   36   11 o  106.690   10.889  4927.65  930.096   0.0000   0.0000  4927.65  930.096  ?   ?   106.690   10.889 0.000000 10.88920 
1 1 1   10   36   12 o   33.966   13.430  354.784  548.466   0.0000   0.0000  354.784  548.466  ?   ?    33.966   13.430 0.000000 13.42995 
1 1 1   10   36   13 o   40.997   14.382  744.615  592.137   0.0000   0.0000  744.615  592.137  ?   ?    40.997   14.382 0.000000 14.38221 
1 1 1   10   38    0 o   99.758   33.314  5746.75  3167.49   0.0000   0.0000  5746.75  3167.49  ?   ?    99.758   33.314 0.000000 33.31408 
1 1 1   10   38    1 f   62.625   27.253  806.293  2591.05   0.0000   0.0000  806.293  2591.05  ?   ?    62.625   27.253 0.000000 27.25270 
1 1 1   10   38    2 o   94.325   40.721  5712.69  5693.32   0.0000   0.0000  5712.69  5693.32  ?   ?    94.325   40.721 0.000000 40.72149 
1 1 1   10   38    3 f  140.642   53.488 20170.92  8445.76   0.0000   0.0000 20170.92  8445.76  ?   ?   140.642   53.488 0.000000 53.48809 
1 1 1   10   38    4 o   91.591   41.953  5541.04  7037.81   0.0000   0.0000  5541.04  7037.81  ?   ?    91.591   41.953 0.000000 41.95259 
1 1 1   10   38    5 o  104.854   47.380 11988.35  8602.90   0.0000   0.0000 11988.35  8602.90  ?   ?   104.854   47.380 0.000000 47.37981 
1 1 1   10   38    6 o   58.019   29.234 -10464.1797  6358.93   0.0000   0.0000 -10464.1797  6358.93  ?   ?    58.019   29.234 0.000000 29.23361 
1 1 1   10   38    7 o   92.914   45.067 11907.28 10597.79   0.0000   0.0000 11907.28 10597.79  ?   ?    92.914   45.067 0.000000 45.06677 
1 1 1   10   38    8 o  116.429   36.791  9917.17  3892.74   0.0000   0.0000  9917.17  3892.74  ?   ?   116.429   36.791 0.000000 36.79105 
1 1 1   10   38    9 o  165.555   36.541 19227.33  4780.55   0.0000   0.0000 19227.33  4780.55  ?   ?   165.555   36.541 0.000000 36.54112 
1 1 1   10   38   10 o   85.451   11.367  3243.22  769.119   0.0000   0.0000  3243.22  769.119  ?   ?    85.451   11.367 0.000000 11.36709 
1 1 1   10   38   11 o   56.370   11.995  1464.88  532.166   0.0000   0.0000  1464.88  532.166  ?   ?    56.370   11.995 0.000000 11.99516 
1 1 1   10   40    0 o   78.130   33.539  3915.18  3820.03   0.0000   0.0000  3915.18  3820.03  ?   ?    78.130   33.539 0.000000 33.53915 
1 1 1   10   40    1 o   69.178   31.030  2068.19  3613.19   0.0000   0.0000  2068.19  3613.19  ?   ?    69.178   31.030 0.000000 31.02981 
1 1 1   10   40    2 o  121.990   40.513 12245.49  4686.35   0.0000   0.0000 12245.49  4686.35  ?   ?   121.990   40.513 0.000000 40.51276 
1 1 1   10   40    3 o   99.671   38.408  8541.47  4391.85   0.0000   0.0000  8541.47  4391.85  ?   ?    99.671   38.408 0.000000 38.40826 
1 1 1   10   40    4 o   49.512   24.149 -2648.6289  3160.46   0.0000   0.0000 -2648.6289  3160.46  ?   ?    49.512   24.149 0.000000 24.14874 
1 1 1   10   40    5 o   58.116   26.912  515.416  3010.31   0.0000   0.0000  515.416  3010.31  ?   ?    58.116   26.912 0.000000 26.91229 
1 1 1   10   40    6 o   72.408   32.287  3884.48  3850.59   0.0000   0.0000  3884.48  3850.59  ?   ?    72.408   32.287 0.000000 32.28698 
1 1 1   10   40    7 o   96.390   38.473 10206.83  4540.35   0.0000   0.0000 10206.83  4540.35  ?   ?    96.390   38.473 0.000000 38.47289 
1 1 1   10   40    8 o   71.026   30.969  4373.60  3359.90   0.0000   0.0000  4373.60  3359.90  ?   ?    71.026   30.969 0.000000 30.96865 
1 1 1   10   42    0 o   64.544   30.753  3006.88  4451.70   0.0000   0.0000  3006.88  4451.70  ?   ?    64.544   30.753 0.000000 30.75277 
1 1 1   10   42    1 o   59.479   28.752  1165.62  4222.35   0.0000   0.0000  1165.62  4222.35  ?   ?    59.479   28.752 0.000000 28.75216 
1 1 1   10   42    2 o   70.527   33.058  5499.66  4766.90   0.0000   0.0000  5499.66  4766.90  ?   ?    70.527   33.058 0.000000 33.05782 
1 1 1   11    1    0 o  600.676   42.879 152514.91 20775.71   0.0000   0.0000 152514.91 20775.71  ?   ?   600.676   42.879 0.000000 42.87858 
1 1 1   11    1    2 o  576.839   40.804 139812.50 18988.42   0.0000   0.0000 139812.50 18988.42  ?   ?   576.839   40.804 0.000000 40.80442 
1 1 1   11    1    3 o  741.951   52.736 234389.80 31563.09 234389.80 31563.09   0.0000   0.0000  741.951   52.736  ?   ?  0.000000 52.73555 
1 1 1   11    1    5 o  549.742   18.711 123093.40  8352.29 121088.10 11817.89 125094.70 11805.95  544.329   26.739  553.323   26.277 -8.994263 37.48952 
1 1 1   11    1    6 o  786.613   26.593 252523.00 16985.11 250668.50 24026.09 254375.80 24015.05  781.631   37.857  787.455   37.559 -5.823547 53.32772 
1 1 1   11    1    7 o  552.755   18.827 124319.80  8450.10 126199.40 11954.87 122443.10 11945.62  556.315   26.466  547.938   26.850 8.376831 37.70074 
1 1 1   11    1    8 o  354.453   14.340 51066.47  4127.10 53392.50  7150.58 49904.54  5053.87  361.203   24.526  349.831   17.851 11.37250 30.33505 
1 1 1   11    1    9 o  836.093   28.100 285181.41 19076.20 299575.69 26982.71 270797.59 26972.93  855.049   38.865  811.503   41.069 43.54590 56.54331 
1 1 1   11    1   10 o  547.378   18.617 121992.30  8274.53 122356.00 11706.64 121629.20 11697.26  547.407   26.338  545.773   26.396 1.634949 37.28844 
1 1 1   11    1   11 o  752.652   25.458 231943.09 15558.38 230574.80 22007.21 233310.41 21998.55  747.184   36.274  751.684   36.043 -4.500427 51.13629 
1 1 1   11    1   12 o  923.357   45.489 359316.59 34104.40 361388.50 48239.22 357246.19 48222.60  905.999   66.029  900.345   66.433 5.653870 93.66489 
1 1 1   11    1   13 f  278.415   10.309 31541.20  2330.41 32070.27  3300.25 31015.03  3291.17  280.051   14.564  275.364   14.774 4.686981 20.74533 
1 1 1   11    1   14 o  468.055   16.301 89530.26  6194.96 92360.76  8764.37 86704.14  8757.62  473.914   22.776  458.374   23.611 15.53961 32.80573 
1 1 1   11    1   15 o  322.646   11.751 42435.81  3078.58 43678.74  4356.69 41196.21  4350.87  326.286   16.498  316.756   16.978 9.529785 23.67385 
1 1 1   11    1   16 o  126.171   7.3060  6496.69  745.275  7216.03  1040.30  5738.23  1068.21  132.746   9.7192  118.090   11.278 14.65543 14.88782 
1 1 1   11    1   17 o  205.562   8.6621 17211.87  1445.79 17545.50  2050.68 16882.13  2038.68  206.846   12.265  202.855   12.437 3.991180 17.46729 
1 1 1   11    1   18 o  141.431   7.6404  8174.00  874.146  8940.68  1257.84  7457.83  1215.69  147.512   10.572  134.547   11.230 12.96512 15.42357 
1 1 1   11    1   19 o  158.281   8.4485 10268.83  1081.86  9883.31  1524.65 10659.79  1535.38  154.458   12.258  160.544   11.862 -6.086075 17.05763 
1 1 1   11    1   20 o   65.670   10.360  1816.56  534.090  2480.85  705.415  924.252  817.569   76.662   11.704   48.896   16.914 27.76561 20.56820 
1 1 1   11    1   21 o  112.074   8.5701  5191.09  773.972  5095.02  1063.65  5299.21  1128.34  110.070   12.101  112.114   12.614 -2.044342 17.47981 
1 1 1   11    1   22 o   58.298   13.514  1487.38  627.237  1485.96  853.877  1489.04  924.410   58.044   17.016   58.252   17.854 -0.2075920 24.66399 
1 1 1   11    1   23 o   39.306   14.774  526.125  639.798  438.466  977.036  591.934  846.549   43.321   17.647   43.330   16.816 -0.9086609E-02 24.37619 
1 1 1   11    1   24 o   30.134   13.355 -137.6030  648.726  565.614  978.982 -688.1364  866.208   44.170   17.782   30.358   14.185 13.81145 22.74695 
1 1 1   11    1   25 o  118.405   11.624  6142.22  1103.11  7102.65  1534.83  5116.00  1586.53  123.959   15.594  101.118   20.032 22.84068 25.38602 
1 1 1   11    1   26 f   74.103   14.209  2619.96  823.843  2974.05  1136.44  2227.77  1196.02   75.007   18.719   63.137   20.440 11.86974 27.71689 
1 1 1   11    3    0 o  698.733   50.121 208625.91 28247.03   0.0000   0.0000 208625.91 28247.03  ?   ?   698.733   50.121 0.000000 50.12079 
1 1 1   11    3    1 o  304.162   12.634 37670.70  3120.33 38823.13  5446.19 37107.55  3807.14  307.095   21.987  301.246   15.618 5.849182 26.96951 
1 1 1   11    3    2 o  691.447   33.711 197866.50 18926.48 199088.09 26773.76 196646.20 26758.42  685.179   48.437  680.770   48.731 4.408203 68.70811 
1 1 1   11    3    3 o  794.402   38.396 261762.91 24766.75 268851.91 35078.46 254716.41 34972.71  794.838   54.686  772.629   56.130 22.20886 78.36531 
1 1 1   11    3    4 o  576.838   19.641 135681.20  9199.31 137719.59 13019.22 133648.59 13000.38  579.912   27.649  571.208   28.030 8.703735 39.37214 
1 1 1   11    3    5 o  102.377   5.2246  4267.27  432.859  4375.95  619.201  4163.41  605.344  103.530   7.4150  100.970   7.4360 2.560524 10.50126 
1 1 1   11    3    6 o  667.770   22.561 181683.91 12232.65 181958.30 17308.58 181410.09 17290.58  667.076   31.956  666.068   31.971 1.007996 45.20280 
1 1 1   11    3    7 o  474.643   16.005 91606.59  6168.10 100928.80  8733.42 82328.70  8712.63  497.887   21.603  448.892   23.991 48.99533 32.28392 
1 1 1   11    3    8 o  742.528   28.929 224907.80 17441.32 217842.50 30213.76 228438.80 21359.57  725.262   51.644  747.481   35.193 -22.21875 62.49490 
1 1 1   11    3    9 o  234.549   8.8043 22345.53  1676.74 22271.92  2379.03 22418.18  2363.58  233.765   12.580  234.542   12.456 -0.7775726 17.70321 
1 1 1   11    3   10 o  850.593   28.507 295856.81 19688.76 296498.69 27852.63 295215.69 27835.61  848.439   40.430  846.582   40.494 1.856873 57.22232 
1 1 1   11    3   11 o   98.302   6.0915  3940.24  483.817  3621.08  678.976  4269.46  689.588   93.959   9.0103  102.156   8.3876 -8.197456 12.31004 
1 1 1   11    3   12 o  108.493   7.2492  4804.80  634.922  5886.44  1117.67  4289.43  771.496  119.697   11.647  102.274   9.3954 17.42319 14.96437 
1 1 1   11    3   13 o  193.196   7.8971 15173.80  1238.81 15940.10  1757.32 14416.81  1746.61  197.585   10.997  187.823   11.508 9.761917 15.91785 
1 1 1   11    3   14 o  381.096   13.453 59233.41  4162.89 56570.49  5890.35 61890.68  5884.08  370.972   19.625  388.733   18.642 -17.76083 27.06765 
1 1 1   11    3   15 o  120.274   6.9070  5900.69  671.700  6381.69  948.709  5417.22  951.151  124.856   9.4276  114.872   10.307 9.983559 13.96844 
1 1 1   11    3   16 o  238.117   9.4397 23093.22  1825.11 22038.28  2578.08 24153.11  2584.13  231.798   13.759  242.805   13.157 -11.00638 19.03720 
1 1 1   11    3   17 o  165.393   7.8637 11136.70  1056.05 11595.80  1478.52 10658.53  1508.91  168.208   10.884  161.129   11.611 7.079041 15.91452 
1 1 1   11    3   18 o  192.217   8.5256 15070.91  1330.63 15246.66  1879.10 14894.15  1884.49  192.510   12.083  190.225   12.266 2.285461 17.21776 
1 1 1   11    3   19 o  172.648   8.4961 12187.13  1191.02 12328.22  1672.59 12042.00  1696.38  172.641   12.007  170.530   12.335 2.111725 17.21333 
1 1 1   11    3   20 o  123.762   8.4735  6306.20  846.383  5863.69  1158.76  6812.29  1239.21  118.419   12.227  127.767   12.089 -9.347992 17.19441 
1 1 1   11    3   21 o  198.264   9.4771 16203.31  1525.67 15542.36  2125.59 16905.67  2191.15  192.160   13.713  200.536   13.536 -8.376541 19.26849 
1 1 1   11    3   22 o  174.040   9.3667 12566.27  1318.78 11001.34  1871.32 14110.35  1858.81  160.403   14.526  182.907   12.593 -22.50398 19.22420 
1 1 1   11    3   23 o  124.416   9.9090  6496.49  992.728  6384.32  1414.97  6605.23  1393.15  121.028   14.700  123.427   14.157 -2.399239 20.40893 
1 1 1   11    3   24 o  184.241   10.477 14399.72  1560.88 13112.12  2162.25 15800.82  2255.53  171.278   15.723  189.071   14.811 -17.79271 21.60026 
1 1 1   11    3   25 o   42.383   14.529  783.808  602.637  1011.66  734.686  315.216  1053.59   47.215   16.043   41.368   17.682 5.846821 23.87535 
1 1 1   11    3   26 o   49.158   19.210  1160.71  1110.69   0.0000   0.0000  1160.71  1110.69  ?   ?    49.158   19.210 0.000000 19.21049 
1 1 1   11    5    1 o  532.600   26.121 116428.90 11296.06 112912.60 15974.96 119945.40 15975.12  520.027   38.099  536.506   36.896 -16.47974 53.03601 
1 1 1   11    5    2 o  254.586   10.248 26353.74  2118.33 30159.55  3739.01 24554.71  2570.70  271.454   17.050  245.291   12.953 26.16275 21.41260 
1 1 1   11    5    3 o  149.621   6.4708  9093.15  786.120  9221.21  1105.33  8962.07  1118.27  150.360   9.0964  148.206   9.3405 2.154190 13.03800 
1 1 1   11    5    4 o  266.242   9.8005 28804.19  2118.67 28750.20  2998.42 28858.02  2994.10  265.504   13.958  266.007   13.911 -0.5029602 19.70579 
1 1 1   11    5    5 o  1059.77   35.399 460347.69 30460.61 456591.59 43085.10 464101.31 43070.52  1050.26   50.523  1059.04   50.088 -8.776489 71.14333 
1 1 1   11    5    6 f  1131.63   38.031 524843.31 34944.44 518643.41 49425.91 531039.62 49411.88  1119.44   54.377  1133.00   53.711 -13.56213 76.43152 
1 1 1   11    5    7 o  925.151   36.095 350138.00 27114.20 360801.41 46950.80 344802.00 33212.36  930.153   62.529  916.236   44.643 13.91711 76.83017 
1 1 1   11    5    8 f  1320.14   43.959 715473.69 47119.72 719385.00 66647.02 711564.62 66627.68  1316.37   62.354  1309.04   62.685 7.328491 88.41599 
1 1 1   11    5    9 o  168.568   6.9901 11540.05  956.748 11568.24  1360.35 11512.46  1345.86  168.449   9.9905  168.046   9.9074 0.4028320 14.07004 
1 1 1   11    5   10 o  412.306   14.282 69160.21  4781.30 69124.73  6771.12 69195.49  6752.48  411.766   20.252  411.982   20.186 -0.2163696 28.59405 
1 1 1   11    5   11 o  446.271   17.723 81247.48  6422.22 79015.14  7868.96 85700.70 11114.08  438.956   22.149  455.282   30.236 -16.32620 37.48120 
1 1 1   11    5   12 o  411.371   16.648 69076.28  5560.86 71189.84  9703.63 68042.74  6785.62  414.377   29.024  407.192   20.590 7.184631 35.58556 
1 1 1   11    5   13 o  369.825   13.141 55742.10  3945.94 54460.41  5588.39 57016.49  5572.46  364.306   18.958  373.338   18.383 -9.032013 26.40668 
1 1 1   11    5   14 o  459.569   15.985 86321.52  5964.91 89278.59  8446.55 83379.64  8424.81  465.897   22.328  449.451   23.164 16.44556 32.17340 
1 1 1   11    5   15 o  164.463   7.5188 11000.46  1004.05 11485.12  1424.37 10521.77  1415.56  167.579   10.521  160.319   10.940 7.260117 15.17822 
1 1 1   11    5   16 o  357.333   13.019 52167.01  3777.46 51421.75  5348.99 52908.47  5335.31  353.112   18.723  358.288   18.402 -5.176453 26.25211 
1 1 1   11    5   17 f   51.012   10.605  1101.36  424.954  716.179  547.308  1686.08  674.331   42.542   13.831   62.978   13.586 -20.43618 19.38784 
1 1 1   11    5   18 o  298.026   11.041 36367.40  2671.81 38247.66  3795.33 34520.12  3761.92  304.040   15.424  288.554   16.121 15.48566 22.31112 
1 1 1   11    5   19 o  135.479   8.3594  7533.67  915.083  7905.39  1269.34  7131.42  1320.42  138.157   11.418  130.891   12.579 7.266144 16.98799 
1 1 1   11    5   20 o  138.409   8.5921  7885.97  960.838  7500.50  1315.30  8327.05  1406.98  134.027   12.221  141.219   12.396 -7.191650 17.40692 
1 1 1   11    5   21 o  105.181   9.1709  4591.06  775.386  4551.14  1009.05  4648.62  1211.67  103.868   12.197  104.117   14.745 -0.2493210 19.13547 
1 1 1   11    5   22 o  113.695   10.191  5410.57  930.813  5023.63  1223.80  5941.66  1433.73  107.965   14.313  117.014   15.469 -9.048737 21.07505 
1 1 1   11    5   23 o   29.071   12.307   56.652  501.960  801.194  585.318 -2013.1851  975.923   43.646   14.309   25.916   12.794 17.73067 19.19499 
1 1 1   11    5   24 o  147.282   16.135  9796.82  1898.02   0.0000   0.0000  9796.82  1898.02  ?   ?   147.282   16.135 0.000000 16.13543 
1 1 1   11    5   25 o   48.042   19.741  809.193  1236.18   0.0000   0.0000  809.193  1236.18  ?   ?    48.042   19.741 0.000000 19.74148 
1 1 1   11    7    0 o  393.068   13.910 62882.46  4439.61 65316.86  6293.46 60471.01  6263.75  400.135   19.371  384.414   20.138 15.72177 27.94191 
1 1 1   11    7    1 o  253.747   13.723 26276.38  2816.97 26990.64  3991.67 25567.73  3975.97  256.544   19.304  249.588   19.781 6.955841 27.63954 
1 1 1   11    7    2 o  623.534   30.308 159402.80 15344.46 160255.00 21714.79 158553.00 21685.95  620.613   43.365  617.230   43.550 3.383057 61.45803 
1 1 1   11    7    3 o  484.506   19.450 95630.85  7651.85 90301.34 13334.39 98247.47  9343.32  467.677   35.376  490.708   23.450 -23.03094 42.44265 
1 1 1   11    7    4 o  471.233   18.505 90391.61  7080.37 92629.66 12335.41 89291.98  8646.57  474.697   32.194  468.042   22.752 6.655060 39.42217 
1 1 1   11    7    5 o  273.718   9.9124 30437.10  2203.02 30156.13  3113.23 30718.90  3117.86  271.991   14.146  274.532   14.034 -2.541382 19.92603 
1 1 1   11    7    6 o  932.831   36.216 356079.31 27431.11 350255.09 47451.21 359002.69 33617.69  915.392   64.248  934.831   44.289 -19.43896 78.03443 
1 1 1   11    7    7 o  450.796   15.238 82612.31  5577.68 88469.64  7891.54 76765.39  7884.54  466.233   20.846  433.635   22.470 32.59799 30.65055 
1 1 1   11    7    8 o  538.202   20.475 117904.80  8947.55 121597.30 10961.15 110530.50 15490.03  546.240   24.714  518.278   37.053 27.96155 44.53863 
1 1 1   11    7    9 o  297.599   10.431 35987.82  2520.45 36909.35  3571.15 35073.18  3557.78  301.257   14.599  293.273   14.991 7.984375 20.92516 
1 1 1   11    7   10 o  148.482   6.6958  8955.69  807.265  8647.06  1146.40  9259.25  1136.95  145.529   9.7582  150.649   9.3408 -5.119720 13.50825 
1 1 1   11    7   11 o  694.766   26.917 198458.00 15184.60 189791.50 18601.30 215768.41 26289.07  676.965   33.841  714.850   45.529 -37.88531 56.72815 
1 1 1   11    7   12 o   70.528   8.0484  2048.37  452.647  1491.61  929.103  2221.65  518.320   60.017   17.793   73.382   8.8797 -13.36511 19.88525 
1 1 1   11    7   13 o  131.932   6.5921  7073.89  706.175  6451.29  992.256  7712.88  1005.23  125.534   9.8128  137.402   9.0611 -11.86842 13.35641 
1 1 1   11    7   14 o  293.015   10.915 34972.27  2596.90 33757.66  3680.82 36176.05  3664.39  286.928   15.861  297.168   15.238 -10.24063 21.99441 
1 1 1   11    7   15 o  160.917   7.4235 10531.72  969.952  9697.97  1366.12 11379.26  1377.39  153.861   11.008  166.822   10.218 -12.96107 15.01927 
1 1 1   11    7   16 o  370.917   13.476 56255.91  4058.73 55772.38  5753.67 56734.84  5726.24  367.445   19.353  370.696   19.089 -3.251343 27.18345 
1 1 1   11    7   17 o  265.197   10.341 28711.83  2226.82 27673.39  3153.14 29745.09  3145.27  259.134   15.051  268.839   14.462 -9.705536 20.87269 
1 1 1   11    7   18 o  203.673   8.8428 16944.30  1462.38 18013.63  2106.27 15949.07  2031.97  209.017   12.467  196.548   12.802 12.46971 17.86992 
1 1 1   11    7   19 o   89.463   9.0634  3311.95  649.292  2858.91  859.863  3912.97  990.384   82.105   13.357   96.452   12.975 -14.34697 18.62172 
1 1 1   11    7   20 o  127.228   8.1869  6662.62  841.261  6770.22  1141.97  6534.92  1244.02  127.525   11.140  124.894   12.432 2.630875 16.69353 
1 1 1   11    7   21 o  250.099   10.525 25917.59  2137.37 25279.17  3003.20 26572.86  3042.57  243.902   15.241  250.227   15.045 -6.325012 21.41589 
1 1 1   11    7   22 o  130.219   13.148  7230.00  1371.15  7484.58  3111.01  7168.62  1527.52  120.080   31.511  128.817   14.878 -8.737450 34.84698 
1 1 1   11    7   23 o   44.027   17.124  625.376  879.308  2240.24  2693.02  432.669  930.295   72.572   29.395   42.333   17.229 30.23890 34.07221 
1 1 1   11    7   24 o   64.098   13.957  1863.53  705.784  1743.52  789.768  2339.47  1572.80   61.245   15.783   68.024   23.463 -6.778900 28.27767 
1 1 1   11    7   25 o   24.736   11.275 -239.1190  500.395 -171.5316  547.565 -581.4798  1232.38   26.729   12.027   36.711   17.075 -9.981672 20.88576 
1 1 1   11    9    0 o  1172.69   57.301 574808.12 54561.62 555864.31 77181.65 593732.31 77141.94  1131.68   84.607  1172.42   81.542 -40.74023 117.5046 
1 1 1   11    9    1 o  1184.09   46.772 579843.81 44969.06 580458.19 77873.25 579536.50 55081.09  1159.46   83.272  1178.23   57.575 -18.77441 101.2376 
1 1 1   11    9    2 o  538.492   26.356 118372.50 11524.02 111672.00 16306.30 125058.60 16288.57  519.955   38.905  550.916   36.622 -30.96094 53.43028 
1 1 1   11    9    3 o  472.298   23.293 90916.09  8932.79 89618.61 12656.79 92203.81 12609.09  466.750   33.622  473.579   32.997 -6.829071 47.10861 
1 1 1   11    9    4 o  1109.57   53.487 509232.50 48188.19 523066.31 68168.57 495415.00 68128.23  1111.88   75.962  1080.69   78.168 31.19128 108.9977 
1 1 1   11    9    5 o  525.599   25.118 112581.00 10719.37   0.0000   0.0000 112581.00 10719.37  ?   ?   525.599   25.118 0.000000 25.11750 
1 1 1   11    9    6 o  1000.11   37.566 409363.41 30505.31 490941.31 52931.58 368793.19 37327.82  1086.83   60.216  945.442   48.791 141.3911 77.50218 
1 1 1   11    9    7 o  1093.26   35.806 489011.50 31784.83 514011.31 44954.04 464019.41 44947.04  1116.91   49.569  1060.36   52.205 56.55347 71.98928 
1 1 1   11    9    8 o  373.858   15.702 56848.23  4766.44 60728.95  5834.66 49062.70  8264.24  386.266   18.603  345.243   29.772 41.02246 35.10627 
1 1 1   11    9    9 o  466.917   16.936 88782.61  6420.91 89947.12  9083.55 87619.67  9077.52  468.648   23.951  462.478   24.258 6.169769 34.08963 
1 1 1   11    9   10 o  353.941   14.396 51023.40  4137.39 49408.79  5068.77 54246.79  7161.85  347.520   18.025  363.057   24.437 -15.53690 30.36559 
1 1 1   11    9   11 o  148.664   6.8244  8980.79  823.780  8838.11  1152.43  9129.87  1177.99  147.092   9.7036  149.506   9.7574 -2.413620 13.76107 
1 1 1   11    9   12 o  565.389   22.661 131247.80 10403.17 128625.60 18141.16 132532.59 12698.63  551.499   40.801  566.618   27.601 -15.11932 49.26036 
1 1 1   11    9   13 o  307.531   10.815 38510.29  2700.62 37432.86  3831.61 39573.93  3807.02  302.309   15.663  311.315   15.061 -9.006592 21.72935 
1 1 1   11    9   14 o  683.665   23.042 192763.20 12790.94 191366.80 18102.83 194155.41 18075.45  675.669   32.997  680.766   32.700 -5.096863 46.45550 
1 1 1   11    9   15 o  482.212   16.892 95354.31  6613.89 96605.04  9370.29 94112.53  9336.71  482.959   23.895  475.977   24.239 6.981537 34.03643 
1 1 1   11    9   16 o  280.610   10.374 32116.60  2363.58 33252.32  3360.73 31005.04  3324.79  284.521   14.596  274.629   14.967 9.891815 20.90575 
1 1 1   11    9   17 o  532.975   18.353 117637.40  7942.48 121291.00 11251.90 114009.10 11212.92  536.027   25.852  518.413   26.729 17.61481 37.18594 
1 1 1   11    9   18 o  366.771   12.937 55430.60  3852.83 60521.41  5484.22 50469.46  5413.92  380.781   17.738  346.358   19.328 34.42291 26.23353 
1 1 1   11    9   19 o  114.646   7.8554  5401.19  726.839  6537.05  990.141  4073.85  1070.35  125.791   9.7708   98.136   13.815 27.65458 16.92105 
1 1 1   11    9   20 o   38.319   15.466  303.536  742.606  998.497  1705.23  140.893  824.939   59.350   23.613   37.914   15.899 21.43559 28.46648 
1 1 1   11    9   21 f  136.618   11.051  7808.36  1215.33  9988.23  2731.60  7270.35  1357.04  147.655   23.577  131.090   12.917 16.56502 26.88377 
1 1 1   11    9   22 o   86.944   10.422  3194.80  721.097  3531.42  845.941  2300.10  1379.15   91.016   11.719   70.445   21.844 20.57058 24.78886 
1 1 1   11    9   23 o   60.237   13.864  1623.75  664.061  1344.23  773.036  2410.83  1297.18   54.537   16.244   70.851   21.028 -16.31359 26.57122 
1 1 1   11    9   24 o   42.250   14.307  766.655  584.276  1811.08  706.912 -1485.0320  1037.96   62.865   14.186   29.017   14.081 33.84840 19.98792 
1 1 1   11    9   25 o   93.214   11.370  3865.83  842.706  3922.79  981.369  3705.92  1644.40   92.345   13.486   79.812   23.673 12.53270 27.24471 
1 1 1   11   11    0 o  1360.71   98.184 805615.38 107750.60   0.0000   0.0000 805615.38 107750.60  ?   ?   1360.71   98.184 0.000000 98.18420 
1 1 1   11   11    1 o  924.721   36.479 350303.59 27389.73 373085.59 47437.16 338910.41 33546.58  944.383   62.212  906.132   45.743 38.25116 77.21853 
1 1 1   11   11    3 o  428.393   30.538 75308.23 10552.95   0.0000   0.0000 75308.23 10552.95  ?   ?   428.393   30.538 0.000000 30.53840 
1 1 1   11   11    4 o  442.354   31.412 80294.16 11208.95   0.0000   0.0000 80294.16 11208.95  ?   ?   442.354   31.412 0.000000 31.41155 
1 1 1   11   11    5 o  396.573   17.564 63963.04  5655.54 55988.84  9922.65 67799.96  6882.98  368.676   33.513  407.615   20.866 -38.93909 39.47818 
1 1 1   11   11    6 o  590.112   24.079 141884.20 11537.57 139698.20 20114.39 142956.09 14085.03  581.766   42.884  591.827   29.311 -10.06006 51.94348 
1 1 1   11   11    7 o  803.344   37.960 264815.91 24760.75 299221.69 35081.94 230663.59 34952.39  848.833   51.139  742.256   58.468 106.5768 77.67690 
1 1 1   11   11    8 o  658.024   68.654 186037.20 36141.32 208479.50 51191.29 163734.20 51032.19  680.659   95.233  592.476  110.134 88.18335 145.5982 
1 1 1   11   11    9 o  242.780   10.076 23964.97  1986.26 23139.63  2440.65 25583.71  3418.04  238.126   12.668  249.941   16.942 -11.81522 21.15502 
1 1 1   11   11   10 o  888.417   29.540 325665.09 21308.78 300176.09 30143.05 351127.50 30127.29  843.598   44.160  916.045   40.505 -72.44678 59.92247 
1 1 1   11   11   11 f   99.698   6.2859  4054.70  506.246  4197.03  696.618  3895.40  736.966  101.238   8.5546   97.408   9.4361 3.829391 12.73659 
1 1 1   11   11   12 o  651.157   21.853 174115.59 11554.33 164497.30 16349.40 183712.50 16331.18  628.012   32.170  665.423   30.226 -37.41089 44.14232 
1 1 1   11   11   13 o   51.659   8.2171  1112.30  333.129  2133.94  450.634 -118.7686  494.670   72.015   7.8329   27.022   11.830 44.99266 14.18791 
1 1 1   11   11   14 o  254.639   9.4564 26401.12  1955.20 27161.98  2775.66 25651.76  2754.60  257.576   13.317  250.246   13.608 7.329544 19.03991 
1 1 1   11   11   15 o  194.068   7.9533 15327.72  1253.26 15312.07  1785.16 15342.92  1759.85  193.387   11.419  193.607   11.243 -0.2205048 16.02535 
1 1 1   11   11   16 o  364.877   13.145 54511.54  3894.56 56235.61  5525.89 52809.93  5489.78  369.096   18.438  357.017   19.006 12.07855 26.48036 
1 1 1   11   11   17 o  167.581   8.2217 11456.55  1118.73 13557.29  1626.70  9571.29  1541.02  181.613   11.084  152.181   12.584 29.43219 16.76967 
1 1 1   11   11   18 o  186.609   10.402 14338.83  1569.88 22072.99  3373.77 12201.43  1773.58  228.568   18.333  171.448   12.833 57.11958 22.37838 
1 1 1   11   11   19 o   92.179   11.765  3567.76  860.515  4212.07  2070.30  3433.20  946.114   95.863   25.959   89.972   13.356 5.890610 29.19317 
1 1 1   11   11   20 o  108.215   9.1528  4855.60  796.691  4847.97  934.620  4875.88  1523.73  107.683   10.836  105.240   18.507 2.443153 21.44633 
1 1 1   11   11   21 o  209.728   10.995 18372.31  1865.85 17834.59  2293.22 19425.54  3209.43  204.949   13.862  209.981   19.031 -5.031296 23.54393 
1 1 1   11   11   22 o  148.197   9.2048  9159.72  1102.15 10184.40  1479.53  7882.16  1652.04  154.977   11.847  134.240   15.438 20.73663 19.45967 
1 1 1   11   11   23 o   88.567   10.117  3342.92  714.480  2964.51  861.504  4176.60  1278.72   81.902   13.419   95.327   17.151 -13.42475 21.77715 
1 1 1   11   11   24 o   88.768   10.384  3413.95  734.284  3347.99  888.682  3555.88  1303.57   86.371   13.081   84.514   19.406 1.857254 23.40315 
1 1 1   11   11   25 o   49.850   14.101  1193.52  596.334  1193.52  596.334   0.0000   0.0000   49.850   14.101  ?   ?  0.000000 14.10129 
1 1 1   11   13    0 o  380.627   19.510 59105.02  6009.40   0.0000   0.0000 59105.02  6009.40  ?   ?   380.627   19.510 0.000000 19.50990 
1 1 1   11   13    1 o  807.315   39.039 266985.31 25590.75   0.0000   0.0000 266985.31 25590.75  ?   ?   807.315   39.039 0.000000 39.03926 
1 1 1   11   13    2 o  487.901   24.047 96970.18  9526.37 106099.40 13497.10 87907.67 13447.69  508.569   32.861  462.191   36.120 46.37845 48.83171 
1 1 1   11   13    3 o  1226.07   59.161 622807.19 58896.18 639490.81 83322.39 606148.12 83261.20  1227.35   84.117  1193.29   86.520 34.05823 120.6705 
1 1 1   11   13    4 o  997.424   47.825 409531.50 38732.21 432266.91 54821.13 386871.50 54730.22  1016.10   66.820  959.259   70.767 56.83691 97.32841 
1 1 1   11   13    5 o  706.247   25.623 203395.50 14693.47 237153.91 25616.93 186843.41 17937.54  758.737   41.742  675.966   32.681 82.77063 53.01362 
1 1 1   11   13    6 o  281.604   10.218 32222.41  2336.44 48605.75  4224.02 25000.19  2804.53  345.690   15.049  247.558   14.010 98.13141 20.56061 
1 1 1   11   13    7 o  568.803   27.596 132458.59 12745.17 141535.09 18096.84 123526.00 17952.80  584.508   38.343  545.138   40.856 39.37006 56.03054 
1 1 1   11   13    8 o  226.737   14.053 21012.57  2574.40 13412.38  3809.73 27399.47  3492.42  178.839   27.084  258.716   16.714 -79.87756 31.82594 
1 1 1   11   13    9 o  338.349   12.572 46613.61  3453.92 69591.50  6164.53 36099.70  4169.91  412.726   18.395  296.861   17.375 115.8654 25.30370 
1 1 1   11   13   10 o  500.026   20.068 102357.00  8147.76 105254.00 14304.88 100965.80  9912.88  501.544   35.353  495.573   24.635 5.970612 43.08969 
1 1 1   11   13   11 o  215.310   10.367 18868.03  1812.48 16894.25  3349.01 19685.60  2155.42  201.954   20.717  219.491   12.141 -17.53650 24.01232 
1 1 1   11   13   12 o  485.802   15.389 96420.88  6070.43 91995.87  8601.30 100812.30  8568.57  472.859   22.402  495.313   21.305 -22.45355 30.91581 
1 1 1   11   13   13 o  111.044   6.8713  5032.59  616.498  5800.87  844.851  4157.56  901.636  119.068   8.8011  100.378   11.256 18.69026 14.28869 
1 1 1   11   13   14 o  316.914   11.755 40979.06  3024.79 41566.46  4295.54 40401.32  4260.08  317.948   16.697  313.424   16.801 4.524048 23.68690 
1 1 1   11   13   15 o  184.072   8.0119 13794.75  1197.47 13566.67  1684.55 14027.74  1702.55  181.921   11.463  185.010   11.389 -3.088242 16.15862 
1 1 1   11   13   16 f  330.190   14.078 44788.86  3774.29 52409.93  6878.05 41505.23  4514.76  352.423   24.182  316.333   17.648 36.09055 29.93697 
1 1 1   11   13   17 o  236.903   11.380 23045.11  2188.95 28501.92  4235.93 21057.02  2556.80  259.605   20.256  225.378   14.041 34.22705 24.64655 
1 1 1   11   13   18 o  117.521   8.3217  5681.27  788.949  5858.14  963.499  5321.36  1374.42  118.992   10.067  111.904   15.546 7.087997 18.52097 
1 1 1   11   13   19 o   63.086   10.055  1679.32  497.761  1292.32  548.320  3492.28  1186.79   54.709   12.603   89.501   16.951 -34.79118 21.12315 
1 1 1   11   13   20 o   76.632   9.1249  2454.36  556.611  3037.68  677.574  1243.85  976.094   85.145   9.9907   54.817   18.492 30.32827 21.01864 
1 1 1   11   13   21 o  135.445   8.6545  7611.46  946.825  7753.43  1293.53  7447.60  1389.66  135.442   11.882  132.156   13.124 3.285309 17.70376 
1 1 1   11   13   22 o  110.053   9.0401  5073.59  800.675  5591.04  1044.29  4335.53  1247.19  114.567   11.376   98.423   16.168 16.14319 19.76908 
1 1 1   11   13   23 o  107.496   9.3845  4897.44  810.901  5049.98  1013.93  4626.71  1350.78  107.910   11.763   99.720   17.310 8.190018 20.92871 
1 1 1   11   13   24 o  110.487   10.687  5325.90  946.789  5370.77  1066.79  5159.44  2054.72  109.860   12.163   93.349   26.094 16.51096 28.79000 
1 1 1   11   15    0 o  1141.85   55.256 539686.31 51230.32   0.0000   0.0000 539686.31 51230.32  ?   ?   1141.85   55.256 0.000000 55.25597 
1 1 1   11   15    1 o  741.906   29.378 224712.70 17697.40 238156.50 30671.72 218003.20 21668.13  758.192   50.104  728.704   36.739 29.48755 62.13079 
1 1 1   11   15    2 o  605.765   24.400 149573.41 12001.60 162612.91 20772.18 143039.30 14704.28  628.054   40.957  590.907   30.753 37.14697 51.21764 
1 1 1   11   15    3 o  436.238   22.104 77732.48  7803.88 76291.61 11082.73 79149.49 10990.55  430.741   31.915  438.925   31.038 -8.184296 44.51902 
1 1 1   11   15    4 o  466.199   22.938 88626.13  8682.78 102680.90 12335.15 74822.98 12224.21  500.051   30.526  425.586   35.705 74.46552 46.97556 
1 1 1   11   15    5 o  705.639   34.237 204611.80 19616.45 213441.41 27809.72 195868.00 27674.48  715.003   48.183  684.006   50.179 30.99670 69.56651 
1 1 1   11   15    6 f  492.496   21.839 99087.98  8733.03 83124.00 15338.79 106744.60 10622.82  445.222   42.964  509.922   25.740 -64.70020 50.08416 
1 1 1   11   15    7 o  358.462   16.844 52409.94  4902.63 61096.40  7169.96 44782.36  6718.76  385.589   23.006  329.454   25.310 56.13406 34.20306 
1 1 1   11   15    8 o  745.278   30.450 229519.80 18426.38 218719.20 32129.90 234813.09 22492.93  710.965   56.114  750.748   36.899 -39.78351 67.15843 
1 1 1   11   15    9 o  494.569   19.345 100087.00  7768.51 109157.60 13683.73 95773.16  9436.70  511.649   33.115  482.758   24.074 28.89157 40.94133 
1 1 1   11   15   10 o  596.244   23.571 146211.30 11411.53 150434.59 19999.18 144172.50 13895.69  595.461   41.626  590.125   29.000 5.335815 50.73161 
1 1 1   11   15   11 o  226.733   10.682 20933.90  1966.56 20069.57  3645.79 21288.59  2335.46  220.166   20.635  228.160   12.656 -7.994370 24.20684 
1 1 1   11   15   12 o  257.824   12.177 27108.57  2549.17 21529.89  4689.38 29448.59  3037.10  226.594   25.956  268.170   13.997 -41.57599 29.48901 
1 1 1   11   15   13 o  252.949   11.461 26095.81  2353.93 28648.72  4374.77 25055.51  2792.65  262.906   20.660  247.195   13.971 15.71201 24.94020 
1 1 1   11   15   14 o   92.027   10.099  3493.83  742.238  3978.34  1615.71  3364.23  835.631   96.274   21.239   90.032   11.708 6.242317 24.25205 
1 1 1   11   15   15 o  231.269   14.084 22024.88  2632.07 24429.49  4032.45 20239.92  3474.25  241.687   20.750  220.184   19.639 21.50278 28.56983 
1 1 1   11   15   16 o  206.865   13.945 17711.43  2328.71 20008.72  3796.36 16325.58  2948.60  217.051   21.837  197.082   18.648 19.96947 28.71601 
1 1 1   11   15   17 o  254.356   12.050 26677.71  2488.63 27026.39  3078.45 26020.04  4227.87  254.546   14.960  246.389   21.344 8.157043 26.06472 
1 1 1   11   15   18 o  150.824   8.3814  9352.76  1022.38 11181.02  1406.22  7302.74  1489.06  164.360   10.593  131.617   14.156 32.74361 17.68098 
1 1 1   11   15   19 o  108.591   8.0791  4867.02  707.249  5819.22  899.660  3326.56  1144.30  118.459   9.4316   87.135   16.783 31.32461 19.25120 
1 1 1   11   15   20 o   90.736   8.2768  3418.52  603.080  4395.01  728.607  1293.92  1074.73  102.832   8.8113   56.008   19.391 46.82376 21.29931 
1 1 1   11   15   21 o   22.054   9.9527 -183.3853  378.235 -34.0800  419.558 -831.2972  874.003   25.469   11.025   29.870   14.050 -4.400410 17.85910 
1 1 1   11   15   22 o   19.063   8.8557 -275.6757  329.812 -305.4630  351.842 -59.9005  946.961   19.542   9.1008   37.181   16.320 -17.63882 18.68585 
1 1 1   11   15   23 o   36.900   11.596  590.201  387.224  819.442  410.372 -1271.5780  1169.49   42.805   11.543   32.395   15.524 10.40948 19.34496 
1 1 1   11   15   24 f   21.986   10.088 -233.9728  409.251   54.166  431.220 -2847.6411  1298.74   26.438   11.307   27.845   13.913 -1.407284 17.92810 
1 1 1   11   17    0 o  461.230   23.416 87052.13  8740.61   0.0000   0.0000 87052.13  8740.61  ?   ?   461.230   23.416 0.000000 23.41602 
1 1 1   11   17    1 o  291.236   13.156 34495.37  3111.01 34552.84  5439.50 34467.43  3792.52  290.015   23.296  290.543   16.140 -0.5281067 28.34053 
1 1 1   11   17    2 o  311.184   13.957 39397.48  3526.65 46270.68  6117.35 35976.06  4316.06  335.917   22.559  296.616   18.006 39.30179 28.86386 
1 1 1   11   17    3 f  603.428   29.417 149405.30 14413.39 165634.50 20453.21 133395.09 20314.74  631.310   40.109  564.678   44.672 66.63245 60.03561 
1 1 1   11   17    4 o  210.717   13.025 18138.28  2217.57 18040.15  3198.91 18229.07  3076.88  209.413   19.021  210.636   18.168 -1.222824 26.30326 
1 1 1   11   17    5 o  674.651   48.711 192865.70 26503.92 192865.70 26503.92   0.0000   0.0000  674.651   48.711  ?   ?  0.000000 48.71052 
1 1 1   11   17    6 o  752.937   37.136 236101.91 22703.64 239053.50 32207.77 233186.50 32008.76  745.983   53.529  736.453   53.903 9.530334 75.96651 
1 1 1   11   17    7 f  188.464   10.230 14493.02  1559.55 12284.35  3003.91 15308.03  1824.74  171.738   22.051  193.565   11.665 -21.82623 24.94626 
1 1 1   11   17    8 o  167.881   7.9704 11458.28  1086.48 15159.74  2191.36 10251.83  1251.07  192.303   14.133  158.442   9.7723 33.86075 17.18282 
1 1 1   11   17    9 o  256.838   11.064 26860.45  2307.34 30038.22  4293.27 25569.82  2736.06  270.041   19.717  250.049   13.526 19.99242 23.91043 
1 1 1   11   17   10 o  245.874   11.198 24626.74  2235.66 24695.49  4170.32 24599.01  2648.38  244.259   21.239  245.203   13.352 -0.9437714 25.08707 
1 1 1   11   17   11 f  143.620   9.2676  8430.82  1074.97  5212.71  2220.39  9416.03  1228.56  110.100   25.360  151.731   10.029 -41.63058 27.27090 
1 1 1   11   17   12 o  101.940   9.3822  4267.37  767.862  1509.21  1734.75  4939.45  856.318   66.865   24.473  109.696   9.7146 -42.83073 26.33101 
1 1 1   11   17   13 o   53.787   16.157  1198.02  762.451  2550.66  1389.33  615.074  912.067   77.364   21.397   46.166   17.573 31.19807 27.68826 
1 1 1   11   17   14 o   79.073   14.119  2639.57  873.223  2344.61  1464.64  2802.25  1087.68   74.593   22.391   80.997   17.076 -6.404327 28.15949 
1 1 1   11   17   15 o  277.750   12.918 31695.17  2913.40 34199.14  5608.32 30769.72  3409.54  283.200   24.635  272.551   15.470 10.64908 29.08965 
1 1 1   11   17   16 o  288.577   13.035 34384.07  3054.35 42251.74  5921.20 31531.62  3565.30  313.367   23.441  274.734   16.052 38.63260 28.41050 
1 1 1   11   17   17 o  134.738   10.977  7531.85  1190.48 10677.97  3144.16  7005.33  1286.24  153.981   26.079  129.531   12.380 24.45009 28.86815 
1 1 1   11   17   18 f  184.481   11.590 14165.82  1727.32 15495.44  3798.56 13819.22  1939.43  184.346   26.107  181.518   13.250 2.827972 29.27721 
1 1 1   11   17   19 o  184.441   12.284 14279.96  1829.07 10352.19  4088.46 15262.78  2045.14  140.432   35.760  190.161   13.330 -49.72917 38.16331 
1 1 1   11   17   20 f  108.465   14.030  5078.22  1206.62  5683.87  3061.87  4966.87  1312.86  103.259   32.629  106.506   15.648 -3.246208 36.18733 
1 1 1   11   17   21 o   47.082   17.311  854.499  869.291 -3206.6890  3465.80  1127.14  897.997   54.169   26.152   51.450   17.730 2.718906 31.59615 
1 1 1   11   17   22 o   44.822   18.731  468.147  1139.00   0.0000   0.0000  468.147  1139.00  ?   ?    44.822   18.731 0.000000 18.73056 
1 1 1   11   17   23 o  208.155   17.094 20639.56  2863.57   0.0000   0.0000 20639.56  2863.57  ?   ?   208.155   17.094 0.000000 17.09369 
1 1 1   11   19    0 o  556.341   40.501 129738.10 18169.80   0.0000   0.0000 129738.10 18169.80  ?   ?   556.341   40.501 0.000000 40.50069 
1 1 1   11   19    1 o  339.166   18.651 47118.96  5116.47 48326.27  7276.27 45938.16  7195.96  341.998   26.407  333.301   26.817 8.696777 37.63615 
1 1 1   11   19    2 o  124.834   11.981  6400.83  1199.51  6158.39  1724.62  6628.00  1669.44  121.516   18.026  126.382   16.676 -4.865921 24.55631 
1 1 1   11   19    3 f  666.800   27.633 183101.59 14961.23 204263.30 25913.26 172520.30 18323.82  694.144   46.241  643.527   35.201 50.61707 58.11507 
1 1 1   11   19    4 o  102.803   11.728  4357.77  961.443  4009.44  1430.16  4645.00  1298.70   97.424   18.760  105.586   15.620 -8.162773 24.41123 
1 1 1   11   19    5 o  186.893   12.802 14294.78  1931.01 13326.34  2850.85 15115.75  2624.84  179.366   19.911  191.637   17.047 -12.27133 26.21127 
1 1 1   11   19    6 o  399.843   21.157 65722.75  6844.50 62882.25  9801.63 68426.05  9561.99  388.199   31.364  405.758   29.219 -17.55859 42.86518 
1 1 1   11   19    7 o  364.696   11.836 54176.00  3504.87 70651.94  6429.02 47208.52  4180.78  415.385   19.061  340.081   15.140 75.30399 24.34272 
1 1 1   11   19    8 o  417.595   17.090 71330.55  5794.78 75215.87 10416.37 69589.15  6973.51  424.382   30.431  411.179   20.957 13.20346 36.94893 
1 1 1   11   19    9 o   76.786   13.094  2471.90  787.099  3506.15  1385.96  1979.55  956.270   90.754   19.396   68.229   17.251 22.52502 25.95818 
1 1 1   11   19   10 o  476.885   24.492 94321.59  9451.60 96224.92 13564.17 92525.26 13177.39  476.332   35.322  467.227   34.989 9.104431 49.71804 
1 1 1   11   19   11 o  632.969   32.393 169168.20 16592.37 168164.50 23694.65 170133.91 23242.19  617.560   47.621  622.507   46.314 -4.946411 66.42862 
1 1 1   11   19   12 o  442.914   23.174 81624.72  8305.00 83276.30 12021.67 80116.88 11486.68  441.449   33.795  433.531   32.876 7.917969 47.14841 
1 1 1   11   19   13 o  392.432   17.538 63517.19  5588.44 54239.19 10179.07 67520.33  6686.22  352.377   36.085  402.971   20.502 -50.59348 41.50307 
1 1 1   11   19   14 o  119.850   9.9419  5911.72  958.755  9834.46  2821.41  5399.61  1019.42  151.046   23.792  114.302   11.125 36.74416 26.26457 
1 1 1   11   19   15 o  152.322   10.356  9559.93  1273.23  9661.92  3051.42  9538.43  1401.02  147.534   26.444  151.905   11.443 -4.371033 28.81343 
1 1 1   11   19   16 o  122.026   10.509  6171.35  1031.04  5518.98  2781.76  6275.25  1110.11  108.661   30.358  122.874   11.252 -14.21223 32.37571 
1 1 1   11   19   17 o   82.578   14.345  2929.79  926.916 -675.7554  3037.13  3300.12  973.355   63.047   28.351   87.825   14.128 -24.77880 31.67627 
1 1 1   11   19   18 o   54.984   16.548  1309.46  799.176  3766.09  2609.36  1055.17  839.519   89.204   30.235   50.842   17.150 38.36179 34.76002 
1 1 1   11   19   19 o   93.607   14.225  3794.85  1047.12  4846.74  3759.87  3706.40  1090.25   96.345   35.892   92.138   15.096 4.206711 38.93722 
1 1 1   11   19   20 o  136.747   13.174  8036.82  1444.66  5712.40  4565.78  8295.42  1522.90   97.414   38.675  138.634   13.709 -41.22074 41.03269 
1 1 1   11   19   21 o  104.317   16.553  4956.42  1355.27   0.0000   0.0000  4956.42  1355.27  ?   ?   104.317   16.553 0.000000 16.55331 
1 1 1   11   19   22 o   39.155   17.194   59.361  1052.04   0.0000   0.0000   59.361  1052.04  ?   ?    39.155   17.194 0.000000 17.19361 
1 1 1   11   21    0 o  289.281   16.807 34294.38  3930.83   0.0000   0.0000 34294.38  3930.83  ?   ?   289.281   16.807 0.000000 16.80745 
1 1 1   11   21    1 o  254.288   15.744 26492.23  3234.66   0.0000   0.0000 26492.23  3234.66  ?   ?   254.288   15.744 0.000000 15.74363 
1 1 1   11   21    2 o  363.375   16.346 53920.98  4822.85 59992.11  8420.65 50957.27  5883.40  380.337   27.452  352.044   20.673 28.29242 34.36513 
1 1 1   11   21    3 o  187.652   11.300 14388.74  1713.70 17179.14  3031.00 13077.62  2077.66  204.104   18.490  178.480   14.461 25.62402 23.47337 
1 1 1   11   21    4 o  455.972   19.848 85185.99  7348.42 87890.83 12709.81 83827.81  9006.33  457.788   34.445  450.546   24.713 7.241913 42.39381 
1 1 1   11   21    5 o  801.130   40.703 271782.50 26389.64 265726.41 37468.49 277743.81 37174.43  773.655   60.118  793.221   58.123 -19.56592 83.62078 
1 1 1   11   21    6 o  165.109   12.818 11181.27  1704.94 13442.87  2575.13  9416.16  2274.98  180.362   17.817  150.417   19.054 29.94493 26.08647 
1 1 1   11   21    7 o  522.566   27.050 113439.00 11438.15 111410.10 16373.64 115372.90 15985.33  511.217   39.759  521.321   38.026 -10.10434 55.01585 
1 1 1   11   21    8 o  485.120   25.125 97649.39  9862.84 99331.18 14183.86 96074.93 13723.83  483.661   36.384  475.975   35.772 7.686066 51.02361 
1 1 1   11   21    9 o  469.436   18.553 90514.48  7071.91 93838.42 12758.27 89040.25  8496.65  470.755   33.599  464.322   22.537 6.433014 40.45695 
1 1 1   11   21   10 o  466.802   19.427 89732.01  7363.53 84910.35 13256.70 91883.45  8855.23  444.591   37.061  470.968   23.156 -26.37784 43.70013 
1 1 1   11   21   11 o  290.811   13.272 34600.89  3133.96 33211.65  5948.39 35134.70  3687.22  280.609   26.418  292.216   15.597 -11.60614 30.67850 
1 1 1   11   21   12 o  239.375   11.730 23438.33  2279.88 22608.79  4571.48 23712.96  2630.34  230.953   24.764  240.104   13.547 -9.151276 28.22750 
1 1 1   11   21   13 o  166.978   10.334 11451.14  1394.22 13930.27  3530.74 10993.15  1517.55  179.732   24.859  163.364   11.514 16.36841 27.39627 
1 1 1   11   21   14 o   27.499   12.250 -208.9260  552.780  5958.93  2539.88 -515.6063  566.356  114.822   27.587   24.799   11.548 90.02343 29.90647 
1 1 1   11   21   15 o  141.671   10.677  8307.92  1219.13  5380.75  3213.44  8800.07  1317.63  106.925   33.374  145.684   11.225 -38.75904 35.21136 
1 1 1   11   21   16 o  197.485   11.629 16208.35  1856.56 19409.00  4305.07 15477.11  2057.74  207.092   26.188  192.299   13.260 14.79283 29.35327 
1 1 1   11   21   17 o  100.915   12.251  4304.19  983.255  4487.46  3122.49  4284.02  1035.96   96.099   33.065  100.427   13.010 -4.328186 35.53263 
1 1 1   11   21   18 o  107.155   13.792  4927.27  1172.14  5227.72  4041.38  4899.68  1224.79   99.508   37.183  106.541   14.538 -7.032616 39.92422 
1 1 1   11   21   19 f   73.895   17.858  2497.46  1059.60 -1406.7670  3537.15  2882.36  1110.60   61.275   28.643   79.570   17.652 -18.29586 33.64515 
1 1 1   11   21   20 o  116.979   15.639  6111.10  1448.28   0.0000   0.0000  6111.10  1448.28  ?   ?   116.979   15.639 0.000000 15.63919 
1 1 1   11   21   21 o   70.500   21.264  2532.01  1318.63   0.0000   0.0000  2532.01  1318.63  ?   ?    70.500   21.264 0.000000 21.26440 
1 1 1   11   21   22 o   61.926   20.062  2021.95  1152.01   0.0000   0.0000  2021.95  1152.01  ?   ?    61.926   20.062 0.000000 20.06197 
1 1 1   11   23    0 o  155.202   14.090  9909.39  1756.30   0.0000   0.0000  9909.39  1756.30  ?   ?   155.202   14.090 0.000000 14.09042 
1 1 1   11   23    1 o  496.556   26.296 102183.90 10564.60   0.0000   0.0000 102183.90 10564.60  ?   ?   496.556   26.296 0.000000 26.29640 
1 1 1   11   23    2 o  749.080   38.658 237412.80 23432.60 226484.80 33319.45 248107.00 32960.88  713.919   57.980  751.204   54.407 -37.28485 79.50978 
1 1 1   11   23    3 o  289.209   17.474 34362.59  4084.20 31939.48  5966.23 36499.46  5602.76  276.530   26.913  296.733   23.445 -20.20334 35.69264 
1 1 1   11   23    4 o  636.761   32.876 170082.91 16939.88 165419.30 24160.25 174592.50 23758.05  616.338   48.673  635.230   46.382 -18.89191 67.23422 
1 1 1   11   23    5 o   97.709   13.283  3966.94  1026.50  4966.03  1608.57  3280.58  1333.26  108.487   18.951   87.732   19.245 20.75503 27.00957 
1 1 1   11   23    6 o  182.529   14.143 13692.49  2079.77 13563.10  3168.33 13790.46  2756.88  180.089   22.133  182.324   18.897 -2.235352 29.10273 
1 1 1   11   23    7 o  375.671   20.684 58306.44  6284.83 59422.71  9154.03 57311.07  8644.07  375.606   30.272  369.354   29.057 6.251617 41.96124 
1 1 1   11   23    8 o  238.590   11.341 23221.92  2197.15 23437.76  4424.08 23151.25  2531.39  236.803   23.311  237.671   13.169 -0.8675232 26.77361 
1 1 1   11   23    9 o  229.851   10.641 21550.43  1985.99 22794.88  4111.36 21171.67  2268.17  233.648   21.928  227.310   12.335 6.338287 25.15925 
1 1 1   11   23   10 o  322.125   15.245 42608.64  3987.46 35766.39  7592.08 45215.03  4685.78  287.569   33.120  330.795   17.508 -43.22583 37.46270 
1 1 1   11   23   11 o  178.666   9.2015 13061.43  1330.34 22230.08  3275.61 11250.35  1455.82  231.172   17.583  165.511   10.894 65.66170 20.68391 
1 1 1   11   23   12 o   91.347   10.236  3458.08  746.184  8225.52  2685.97  3059.37  776.760  137.030   25.064   85.617   11.461 51.41368 27.56028 
1 1 1   11   23   13 o   60.662   13.353  1579.19  639.876  3105.90  2789.40  1494.39  657.407   87.164   31.151   58.924   13.956 28.24060 34.13437 
1 1 1   11   23   14 o  308.863   14.991 39838.77  3759.60 38472.25  7672.68 40270.52  4312.84  286.797   33.584  308.703   17.275 -21.90546 37.76694 
1 1 1   11   23   15 o   28.558   12.727 -215.0803  597.480 -932.9397  2500.29 -171.6050  615.307   55.947   25.386   29.519   13.048 26.42830 28.54323 
1 1 1   11   23   16 o  144.369   11.724  8726.88  1362.44  5889.05  4270.58  9048.45  1437.56  106.773   38.502  146.852   12.166 -40.07954 40.37865 
1 1 1   11   23   17 o   58.443   17.166  1510.59  868.268  4405.36  3949.17  1363.56  890.046   94.205   36.388   55.995   17.578 38.20937 40.41112 
1 1 1   11   23   18 o   81.815   15.118  2960.52  967.299  4284.88  3802.82  2868.91  1000.20   90.346   35.477   80.174   15.926 10.17237 38.88770 
1 1 1   11   23   19 o  293.824   16.762 38491.72  3982.32   0.0000   0.0000 38491.72  3982.32  ?   ?   293.824   16.762 0.000000 16.76155 
1 1 1   11   23   20 o   40.850   16.805  416.836  897.051   0.0000   0.0000  416.836  897.051  ?   ?    40.850   16.805 0.000000 16.80509 
1 1 1   11   23   21 o   40.356   17.433  258.148  1044.73   0.0000   0.0000  258.148  1044.73  ?   ?    40.356   17.433 0.000000 17.43292 
1 1 1   11   25    0 f  418.116   33.357 73942.16 11230.25   0.0000   0.0000 73942.16 11230.25  ?   ?   418.116   33.357 0.000000 33.35675 
1 1 1   11   25    1 o  414.498   32.853 72595.99 10966.32   0.0000   0.0000 72595.99 10966.32  ?   ?   414.498   32.853 0.000000 32.85278 
1 1 1   11   25    2 o  280.079   18.167 32324.37  4109.25   0.0000   0.0000 32324.37  4109.25  ?   ?   280.079   18.167 0.000000 18.16743 
1 1 1   11   25    3 o  628.297   26.884 164191.70 13714.98 157661.59 23905.76 167395.59 16744.81  597.061   49.765  629.938   32.851 -32.87744 59.62978 
1 1 1   11   25    4 o  340.421   16.557 47502.55  4576.64 44827.86  8021.45 48793.45  5572.68  325.630   30.701  343.690   20.056 -18.05939 36.67123 
1 1 1   11   25    5 o  339.699   16.610 47327.75  4581.50 45173.89  7956.87 48395.98  5603.62  326.790   30.333  342.097   20.264 -15.30759 36.47901 
1 1 1   11   25    6 o  388.506   22.206 62663.39  6975.89 58416.73 10186.62 66413.66  9572.77  369.437   34.352  396.475   29.957 -27.03812 45.57965 
1 1 1   11   25    7 o  296.101   17.716 36203.44  4239.79 42333.01  6375.41 31343.11  5677.09  317.762   24.909  272.772   25.945 44.99008 35.96671 
1 1 1   11   25    8 o  172.154   15.269 12263.04  2112.15 11804.75  3405.83 12549.45  2692.43  165.928   26.145  173.165   19.488 -7.236969 32.60841 
1 1 1   11   25    9 o  186.654   9.9365 14266.80  1500.53 17327.14  3596.30 13621.73  1651.12  202.533   22.234  182.156   11.218 20.37708 24.90405 
1 1 1   11   25   10 o  242.429   12.051 24119.36  2372.25 31111.73  5391.84 22440.92  2641.67  269.658   24.907  232.996   14.029 36.66232 28.58610 
1 1 1   11   25   11 o  204.029   11.706 17171.50  1931.10 14634.95  4750.91 17673.53  2113.58  178.227   34.071  206.727   12.653 -28.50029 36.34491 
1 1 1   11   25   12 o  104.971   9.3757  4553.38  790.708  4287.62  2867.34  4575.25  822.604   97.382   31.658  105.152   9.7454 -7.770058 33.12428 
1 1 1   11   25   13 o  137.557   10.749  7847.41  1191.01  7976.03  3857.80  7833.86  1252.18  127.131   35.832  137.276   11.335 -10.14424 37.58261 
1 1 1   11   25   14 o  254.141   13.135 27010.38  2701.28 26439.85  5976.72 27156.84  3028.22  235.438   32.101  253.867   14.754 -18.42964 35.32940 
1 1 1   11   25   15 o   65.292   14.992  1870.79  778.027  2540.43  3817.55  1841.77  794.706   84.331   34.677   64.702   15.357 19.62872 37.92563 
1 1 1   11   25   16 o   44.738   16.311  735.773  769.481 -646.5268  3448.65  808.196  789.381   64.897   29.589   46.116   16.562 18.78083 33.90862 
1 1 1   11   25   17 f  108.867   13.878  5131.62  1198.90  3331.83  4325.77  5281.37  1247.78   85.789   36.214  110.274   14.270 -24.48456 38.92402 
1 1 1   11   25   18 o   77.869   17.361  2798.82  1069.67  8867.34  5288.94  2540.01  1092.24  108.777   42.084   73.668   18.333 35.10923 45.90366 
1 1 1   11   25   19 o   74.232   19.621  2704.77  1200.53   0.0000   0.0000  2704.77  1200.53  ?   ?    74.232   19.621 0.000000 19.62091 
1 1 1   11   25   20 o   59.279   20.938  1794.44  1256.69   0.0000   0.0000  1794.44  1256.69  ?   ?    59.279   20.938 0.000000 20.93834 
1 1 1   11   27    0 o  246.154   17.536 25029.01  3482.03   0.0000   0.0000 25029.01  3482.03  ?   ?   246.154   17.536 0.000000 17.53620 
1 1 1   11   27    1 o  222.197   17.220 20404.89  3082.45   0.0000   0.0000 20404.89  3082.45  ?   ?   222.197   17.220 0.000000 17.21964 
1 1 1   11   27    2 o  170.303   16.653 12020.90  2273.38   0.0000   0.0000 12020.90  2273.38  ?   ?   170.303   16.653 0.000000 16.65345 
1 1 1   11   27    3 o  109.504   16.101  5024.24  1388.85  2912.65  2526.56  5938.60  1662.57   86.427   29.743  118.880   17.769 -32.45309 34.64634 
1 1 1   11   27    4 o  170.944   14.004 12048.33  1926.69 10399.82  3525.01 12750.62  2300.77  154.791   29.115  175.414   16.342 -20.62320 33.38764 
1 1 1   11   27    5 f  272.122   15.670 30528.02  3447.77 26595.65  6047.79 32421.38  4196.48  248.613   30.606  279.611   18.590 -30.99782 35.80920 
1 1 1   11   27    6 o  156.426   14.799 10141.56  1857.30  7843.95  3336.31 11173.37  2235.77  132.903   31.413  163.727   17.069 -30.82478 35.75104 
1 1 1   11   27    7 o  155.266   15.763 10042.01  1959.71 10465.76  3136.70  9770.71  2509.84  155.445   25.753  151.688   20.936 3.756699 33.18952 
1 1 1   11   27    8 o  160.524   17.242 10817.06  2212.06  7945.20  4073.45 12018.16  2634.33  130.955   36.789  168.513   19.620 -37.55804 41.69375 
1 1 1   11   27    9 o  166.076   10.932 11369.99  1465.86  6805.71  4301.85 11969.58  1559.18  120.614   38.736  170.321   11.339 -49.70700 40.36166 
1 1 1   11   27   10 o  258.237   13.250 27668.61  2768.95 29584.43  6393.92 27226.37  3071.96  254.944   31.562  255.447   14.875 -0.5026550 34.89182 
1 1 1   11   27   11 o   99.663   9.4765  4114.47  757.634  2371.09  3672.62  4191.96  774.289   85.621   34.451  100.579   9.5975 -14.95860 35.76292 
1 1 1   11   27   12 f  163.100   11.202 11049.86  1474.53  8128.13  4731.14 11364.20  1551.83  124.834   40.670  165.268   11.639 -40.43354 42.30247 
1 1 1   11   27   13 o   71.516   12.625  2191.23  706.294  582.325  3306.41  2268.16  722.982   71.108   30.865   72.769   12.698 -1.660934 33.37477 
1 1 1   11   27   14 o   89.642   12.362  3418.76  875.854  3268.46  4323.24  3425.20  894.400   89.766   36.906   89.636   12.640 0.1297150 39.01073 
1 1 1   11   27   15 o   53.942   16.762  1267.95  811.579 -584.0204  4323.10  1335.60  826.270   71.130   32.691   55.177   16.874 15.95381 36.78910 
1 1 1   11   27   16 f  142.751   12.969  8728.11  1486.87 10724.58  5514.64  8571.59  1544.05  124.095   43.859  141.066   13.651 -16.97069 45.93404 
1 1 1   11   27   17 o  104.369   14.723  4827.10  1213.03   0.0000   0.0000  4827.10  1213.03  ?   ?   104.369   14.723 0.000000 14.72301 
1 1 1   11   27   18 o   59.872   18.080  1712.07  952.810   0.0000   0.0000  1712.07  952.810  ?   ?    59.872   18.080 0.000000 18.07952 
1 1 1   11   27   19 o   44.304   18.035  660.927  1019.57   0.0000   0.0000  660.927  1019.57  ?   ?    44.304   18.035 0.000000 18.03469 
1 1 1   11   29    0 o  310.130   20.509 40188.41  5135.27   0.0000   0.0000 40188.41  5135.27  ?   ?   310.130   20.509 0.000000 20.50877 
1 1 1   11   29    1 o  412.814   24.220 71859.42  8082.88   0.0000   0.0000 71859.42  8082.88  ?   ?   412.814   24.220 0.000000 24.22031 
1 1 1   11   29    2 o  177.091   17.634 13100.88  2501.97   0.0000   0.0000 13100.88  2501.97  ?   ?   177.091   17.634 0.000000 17.63442 
1 1 1   11   29    3 o   70.884   22.764  2073.30  1485.73   0.0000   0.0000  2073.30  1485.73  ?   ?    70.884   22.764 0.000000 22.76446 
1 1 1   11   29    4 f  157.749   15.870 10385.75  2005.13  9004.30  3708.58 10956.41  2383.56  140.903   32.996  161.291   18.537 -20.38838 37.84647 
1 1 1   11   29    5 o  203.910   16.032 17331.60  2633.05 18828.96  5156.44 16803.46  3062.41  205.175   31.996  199.671   19.123 5.504242 37.27483 
1 1 1   11   29    6 f  263.402   16.858 29006.85  3586.58 31995.93  6673.32 27792.74  4253.05  267.689   31.293  255.977   20.638 11.71233 37.48581 
1 1 1   11   29    7 o  361.772   19.078 55269.58  5584.27 67883.43 10064.34 49658.86  6712.30  387.646   32.268  338.588   24.583 49.05859 40.56548 
1 1 1   11   29    8 o  278.478   19.601 33036.09  4403.75 38454.14  7121.50 29681.59  5603.56  291.188   30.577  258.473   27.103 32.71564 40.85987 
1 1 1   11   29    9 o  151.654   9.6262  9486.96  1179.20 17374.17  4545.32  8917.81  1221.01  194.466   29.731  146.845   10.306 47.62022 31.46606 
1 1 1   11   29   10 o   66.669   10.179  1871.98  533.572 -1074.3810  3911.44  1927.85  538.607   69.654   31.662   67.693   10.109 1.961342 33.23697 
1 1 1   11   29   11 o  232.655   12.150 22573.37  2287.25 22178.65  6402.12 22631.12  2448.86  206.890   39.552  232.497   13.024 -25.60661 41.64160 
1 1 1   11   29   12 o  105.848   10.791  4693.82  914.439  8077.88  4871.94  4570.24  930.985  120.094   41.303  104.320   11.164 15.77431 42.78537 
1 1 1   11   29   13 o  107.265   10.859  4836.50  932.742  9491.29  5158.12  4679.15  948.377  125.489   42.509  105.355   11.261 20.13329 43.97562 
1 1 1   11   29   14 o   61.767   16.057  1710.71  812.763  3466.08  5152.53  1665.92  823.068   89.508   38.690   60.931   16.312 28.57676 41.98848 
1 1 1   11   29   15 o   53.353   15.723  1271.74  727.359  4400.76  4597.07  1191.40  736.638   89.567   37.544   51.865   15.945 37.70187 40.79001 
1 1 1   11   29   16 o   50.614   17.566  1106.99  882.169   0.0000   0.0000  1106.99  882.169  ?   ?    50.614   17.566 0.000000 17.56588 
1 1 1   11   29   17 o   41.323   16.939  457.243  907.391   0.0000   0.0000  457.243  907.391  ?   ?    41.323   16.939 0.000000 16.93930 
1 1 1   11   29   18 o   50.738   18.451  1204.75  983.745   0.0000   0.0000  1204.75  983.745  ?   ?    50.738   18.451 0.000000 18.45112 
1 1 1   11   31    0 o  314.208   22.024 42205.69  5583.42   0.0000   0.0000 42205.69  5583.42  ?   ?   314.208   22.024 0.000000 22.02413 
1 1 1   11   31    1 o   72.894   24.120  2216.22  1661.72   0.0000   0.0000  2216.22  1661.72  ?   ?    72.894   24.120 0.000000 24.12025 
1 1 1   11   31    2 o  112.414   22.771  5575.72  2007.18   0.0000   0.0000  5575.72  2007.18  ?   ?   112.414   22.771 0.000000 22.77053 
1 1 1   11   31    3 o  338.922   23.084 49525.72  6314.60   0.0000   0.0000 49525.72  6314.60  ?   ?   338.922   23.084 0.000000 23.08356 
1 1 1   11   31    4 o  199.007   17.683 16772.95  2827.64 19448.32  5934.02 15987.01  3216.26  201.055   37.735  192.700   20.890 8.354599 43.13183 
1 1 1   11   31    5 o  364.746   19.998 56808.00  5900.08 65362.18 10952.80 53311.01  7003.00  370.513   36.898  348.647   24.902 21.86603 44.51433 
1 1 1   11   31    6 o  122.440   19.684  6530.78  1890.63  8559.30  4586.69  6115.57  2075.12  129.913   39.762  117.185   22.628 12.72776 45.74979 
1 1 1   11   31    7 o  127.357   20.529  7123.10  2050.69  6236.48  4723.33  7329.05  2276.43  112.490   40.501  128.201   22.700 -15.71096 46.42818 
1 1 1   11   31    8 o  175.612   19.352 13382.97  2713.66 13890.70  6026.69 13253.85  3039.18  158.028   44.872  173.095   22.130 -15.06668 50.03296 
1 1 1   11   31    9 o   81.988   9.3736  2804.72  612.803 -2469.9819  4931.67  2887.44  617.590   71.987   33.704   83.221   9.2986 -11.23409 34.96365 
1 1 1   11   31   10 o   89.324   9.8197  3336.47  700.443  6228.97  5171.53  3282.41  706.957  108.199   41.683   88.538   10.010 19.66029 42.86782 
1 1 1   11   31   11 o  107.969   10.027  4874.14  869.041 13905.30  5593.11  4650.71  879.725  152.917   43.161  105.322   10.424 47.59518 44.40194 
1 1 1   11   31   12 o   91.904   10.758  3570.42  787.586 14823.79  5798.61  3358.92  794.952  153.090   44.190   88.939   11.260 64.15122 45.60184 
1 1 1   11   31   13 o  107.372   12.021  4926.27  1030.04 -4939.1880  6459.12  5183.71  1043.39   70.277   34.330  110.250   11.841 -39.97280 36.31496 
1 1 1   11   31   14 o   37.896   14.593  460.839  633.664 -1692.1400  6596.33  480.892  636.608   74.308   35.925   38.267   14.654 36.04049 38.79821 
1 1 1   11   31   15 o   25.444   12.166 -860.6414  709.516   0.0000   0.0000 -860.6414  709.516  ?   ?    25.444   12.166 0.000000 12.16567 
1 1 1   11   31   16 o   74.589   18.525  2742.90  1116.83   0.0000   0.0000  2742.90  1116.83  ?   ?    74.589   18.525 0.000000 18.52463 
1 1 1   11   31   17 f   57.346   18.976  1686.57  1028.51   0.0000   0.0000  1686.57  1028.51  ?   ?    57.346   18.976 0.000000 18.97607 
1 1 1   11   33    0 o   98.898   24.977  4483.54  2006.25   0.0000   0.0000  4483.54  2006.25  ?   ?    98.898   24.977 0.000000 24.97748 
1 1 1   11   33    1 o   67.472   25.271  1673.68  1868.76   0.0000   0.0000  1673.68  1868.76  ?   ?    67.472   25.271 0.000000 25.27064 
1 1 1   11   33    2 o  199.906   21.921 17531.83  3499.84   0.0000   0.0000 17531.83  3499.84  ?   ?   199.906   21.921 0.000000 21.92136 
1 1 1   11   33    3 o  101.675   24.685  4746.49  2017.44   0.0000   0.0000  4746.49  2017.44  ?   ?   101.675   24.685 0.000000 24.68473 
1 1 1   11   33    4 o   78.396   25.938  2723.88  1921.71   0.0000   0.0000  2723.88  1921.71  ?   ?    78.396   25.938 0.000000 25.93846 
1 1 1   11   33    5 o  199.889   19.433 17369.31  3114.11 22600.10  7054.73 16103.40  3470.54  203.684   43.947  189.988   22.963 13.69540 49.58441 
1 1 1   11   33    6 o  169.253   20.838 12663.57  2803.21 11164.54  6397.12 13019.82  3118.57  136.123   47.299  170.058   23.190 -33.93507 52.67809 
1 1 1   11   33    7 o  190.089   20.768 16009.67  3153.33 21042.40  6443.31 14424.66  3615.95  195.901   41.782  176.307   26.043 19.59480 49.23390 
1 1 1   11   33    8 o  113.827   27.275  6260.85  2487.88  7124.83  5964.08  6078.84  2737.42  111.435   44.215  110.520   29.817 0.9145279 53.32898 
1 1 1   11   33    9 o   37.929   18.378 -2526.3459  1750.73  7675.69  5883.66 -3517.3899  1833.79  111.981   44.079   35.874   17.678 76.10706 47.49139 
1 1 1   11   33   10 o  112.812   10.493  5352.85  950.162  6459.55  7000.76  5332.08  959.036  103.499   44.918  112.544   10.620 -9.045219 46.15628 
1 1 1   11   33   11 o   66.429   11.579  1908.10  601.874  8772.44  6945.24  1856.16  604.146  108.408   45.831   65.424   11.807 42.98351 47.32730 
1 1 1   11   33   12 o   21.788   9.9420 -232.5050  390.385 -5839.5869  5829.44 -207.2457  391.263   63.765   31.441   22.126   10.041 41.63831 33.00495 
1 1 1   11   33   13 o   27.742   12.567 -269.2251  609.500   0.0000   0.0000 -269.2251  609.500  ?   ?    27.742   12.567 0.000000 12.56656 
1 1 1   11   33   14 o   57.831   15.567  1566.72  747.175   0.0000   0.0000  1566.72  747.175  ?   ?    57.831   15.567 0.000000 15.56741 
1 1 1   11   33   15 o   48.442   16.514  1089.84  778.450   0.0000   0.0000  1089.84  778.450  ?   ?    48.442   16.514 0.000000 16.51359 
1 1 1   11   33   16 o   88.168   16.126  3805.26  1111.94   0.0000   0.0000  3805.26  1111.94  ?   ?    88.168   16.126 0.000000 16.12638 
1 1 1   11   35    0 o  138.926   26.577  9105.57  2888.80   0.0000   0.0000  9105.57  2888.80  ?   ?   138.926   26.577 0.000000 26.57746 
1 1 1   11   35    1 o  128.959   27.363  7942.19  2776.49   0.0000   0.0000  7942.19  2776.49  ?   ?   128.959   27.363 0.000000 27.36312 
1 1 1   11   35    2 o  142.683   26.047  9562.03  2906.48   0.0000   0.0000  9562.03  2906.48  ?   ?   142.683   26.047 0.000000 26.04720 
1 1 1   11   35    3 o   98.461   31.902  4868.63  2912.94   0.0000   0.0000  4868.63  2912.94  ?   ?    98.461   31.902 0.000000 31.90195 
1 1 1   11   35    4 o  120.733   30.637  7331.09  3008.34   0.0000   0.0000  7331.09  3008.34  ?   ?   120.733   30.637 0.000000 30.63701 
1 1 1   11   35    5 o   98.097   29.373  4816.55  2522.75   0.0000   0.0000  4816.55  2522.75  ?   ?    98.097   29.373 0.000000 29.37278 
1 1 1   11   35    6 o   54.982   24.724 -393.5210  2309.46 -2207.7471  6321.39 -114.0692  2480.96   77.656   36.899   58.288   25.959 19.36731 45.11586 
1 1 1   11   35    7 o   76.267   29.344  2568.50  2560.42  3652.63  6903.29  2395.57  2757.07   93.985   42.458   75.745   30.059 18.24062 52.02155 
1 1 1   11   35    8 o  140.625   29.221 10122.44  3227.58 18481.43  8276.88  8623.41  3505.05  145.073   53.403  124.594   33.792 20.47864 63.19662 
1 1 1   11   35    9 o  156.428   28.857 12630.66  3530.19 18171.98  8898.15 11595.55  3845.80  132.882   53.569  144.111   33.502 -11.22891 63.18261 
1 1 1   11   35   10 o   21.496   9.4048 -54.8827  312.230 -1400.9600  8326.31 -52.9872  312.449   79.024   38.682   21.535   9.4153 57.48849 39.81134 
1 1 1   11   35   11 o  152.550   12.427 10089.19  1525.88   0.0000   0.0000 10089.19  1525.88  ?   ?   152.550   12.427 0.000000 12.42684 
1 1 1   11   35   12 o  103.040   12.056  4655.48  989.575   0.0000   0.0000  4655.48  989.575  ?   ?   103.040   12.056 0.000000 12.05575 
1 1 1   11   35   13 o   60.579   14.260  1715.83  689.758   0.0000   0.0000  1715.83  689.758  ?   ?    60.579   14.260 0.000000 14.25966 
1 1 1   11   35   14 o   97.012   14.588  4427.23  1113.52   0.0000   0.0000  4427.23  1113.52  ?   ?    97.012   14.588 0.000000 14.58776 
1 1 1   11   37    0 o  117.749   39.818  8589.79  4525.52   0.0000   0.0000  8589.79  4525.52  ?   ?   117.749   39.818 0.000000 39.81782 
1 1 1   11   37    1 o  129.504   42.968 11040.37  5272.10   0.0000   0.0000 11040.37  5272.10  ?   ?   129.504   42.968 0.000000 42.96829 
1 1 1   11   37    2 o  174.060   30.634 15594.22  4171.42   0.0000   0.0000 15594.22  4171.42  ?   ?   174.060   30.634 0.000000 30.63392 
1 1 1   11   37    3 o  163.391   30.067 13739.00  3841.90   0.0000   0.0000 13739.00  3841.90  ?   ?   163.391   30.067 0.000000 30.06656 
1 1 1   11   37    4 o  147.009   31.320 11478.91  3624.15   0.0000   0.0000 11478.91  3624.15  ?   ?   147.009   31.320 0.000000 31.32016 
1 1 1   11   37    5 o   50.409   23.277 -896.6383  2228.56   0.0000   0.0000 -896.6383  2228.56  ?   ?    50.409   23.277 0.000000 23.27699 
1 1 1   11   37    6 o   68.383   28.306  1801.01  2566.07 -3936.1360  7303.05  2609.09  2740.84   73.260   35.936   74.709   29.867 -1.449074 46.72748 
1 1 1   11   37    7 o  156.397   31.511 13598.70  3863.29  7164.54 10941.41 14515.11  4129.25   93.502   45.453  159.671   32.943 -66.16871 56.13561 
1 1 1   11   37    8 o   83.794   32.543  4213.57  3172.22  8062.78  9927.42  3775.85  3347.74   91.359   44.145   80.722   32.747 10.63692 54.96477 
1 1 1   11   37    9 o   76.001   31.542  3339.95  3198.46   0.0000   0.0000  3339.95  3198.46  ?   ?    76.001   31.542 0.000000 31.54209 
1 1 1   11   37   10 o   36.368   12.546  547.533  449.665   0.0000   0.0000  547.533  449.665  ?   ?    36.368   12.546 0.000000 12.54574 
1 1 1   11   37   11 o  105.031   11.377  4864.41  954.747   0.0000   0.0000  4864.41  954.747  ?   ?   105.031   11.377 0.000000 11.37709 
1 1 1   11   37   12 o   80.465   13.106  2989.88  826.785   0.0000   0.0000  2989.88  826.785  ?   ?    80.465   13.106 0.000000 13.10572 
1 1 1   11   39    0 o   85.601   33.191  4420.39  3295.53   0.0000   0.0000  4420.39  3295.53  ?   ?    85.601   33.191 0.000000 33.19085 
1 1 1   11   39    1 f   89.337   35.258  5152.82  3773.79   0.0000   0.0000  5152.82  3773.79  ?   ?    89.337   35.258 0.000000 35.25813 
1 1 1   11   39    2 o  109.468   36.993  8216.24  3906.15   0.0000   0.0000  8216.24  3906.15  ?   ?   109.468   36.993 0.000000 36.99293 
1 1 1   11   39    3 o   60.013   27.667 -53.4932  3129.46   0.0000   0.0000 -53.4932  3129.46  ?   ?    60.013   27.667 0.000000 27.66701 
1 1 1   11   39    4 o   78.679   38.015  2352.56  7359.16   0.0000   0.0000  2352.56  7359.16  ?   ?    78.679   38.015 0.000000 38.01546 
1 1 1   11   39    5 o   48.501   24.751 -15244.9805  5650.56   0.0000   0.0000 -15244.9805  5650.56  ?   ?    48.501   24.751 0.000000 24.75143 
1 1 1   11   39    6 o   56.503   28.719 -12235.7695  7038.14   0.0000   0.0000 -12235.7695  7038.14  ?   ?    56.503   28.719 0.000000 28.71929 
1 1 1   11   39    7 o   78.417   39.365  7315.81 10980.22   0.0000   0.0000  7315.81 10980.22  ?   ?    78.417   39.365 0.000000 39.36462 
1 1 1   11   39    8 o   75.942   38.645 10588.28 13020.68   0.0000   0.0000 10588.28 13020.68  ?   ?    75.942   38.645 0.000000 38.64534 
1 1 1   11   39    9 o   68.063   35.048  3334.84 14984.70   0.0000   0.0000  3334.84 14984.70  ?   ?    68.063   35.048 0.000000 35.04840 
1 1 1   11   41    0 o   64.320   30.082  1618.70  3910.00   0.0000   0.0000  1618.70  3910.00  ?   ?    64.320   30.082 0.000000 30.08169 
1 1 1   11   41    1 o   88.088   36.345  7332.89  4211.17   0.0000   0.0000  7332.89  4211.17  ?   ?    88.088   36.345 0.000000 36.34505 
1 1 1   11   41    2 o   77.749   34.604  5454.77  4400.95   0.0000   0.0000  5454.77  4400.95  ?   ?    77.749   34.604 0.000000 34.60387 
1 1 1   11   41    3 o   87.149   37.354  8275.78  4725.67   0.0000   0.0000  8275.78  4725.67  ?   ?    87.149   37.354 0.000000 37.35431 
1 1 1   11   41    4 o   55.004   25.440  629.529  2677.94   0.0000   0.0000  629.529  2677.94  ?   ?    55.004   25.440 0.000000 25.44001 
1 1 1   11   41    5 o   48.194   23.843 -2860.4009  3451.17   0.0000   0.0000 -2860.4009  3451.17  ?   ?    48.194   23.843 0.000000 23.84266 
1 1 1   12    0    3 o  262.057   13.647 28146.61  2885.93 28536.18  4095.81 27762.49  4066.99  262.606   19.454  258.924   19.603 0.000000 0.000000 
1 1 1   12    0    4 o   99.171   7.3118  4058.86  581.418  4268.17  833.485  3860.47  811.456  100.916   10.427   95.697   10.797 0.000000 0.000000 
1 1 1   12    0    5 o  794.897   38.475 260065.91 24700.03 260569.70 34942.66 259562.70 34919.60  790.049   55.086  788.469   55.164 0.000000 0.000000 
1 1 1   12    0    6 o  480.705   23.616 94684.61  9166.98 90306.67 12971.91 99051.99 12956.25  466.799   34.664  489.685   32.927 0.000000 0.000000 
1 1 1   12    0    7 o  425.996   21.044 74317.01  7238.58 75758.13 10243.55 72879.61 10230.25  428.301   29.786  419.819   30.377 0.000000 0.000000 
1 1 1   12    0    8 o  573.078   40.076 135901.70 18438.88   0.0000   0.0000 135901.70 18438.88  573.078   40.076  573.078   40.076 0.000000 0.000000 
1 1 1   12    0    9 o  675.922   32.622 187411.80 17808.94 214812.41 25196.71 160059.20 25174.58  721.354   43.378  619.201   50.861 0.000000 0.000000 
1 1 1   12    0   10 o  624.624   30.358 160167.20 15313.73 170112.00 21667.85 150242.59 21645.93  640.716   42.066  600.698   44.958 0.000000 0.000000 
1 1 1   12    0   11 f  381.292   19.113 59618.71  5883.37 65532.81  8334.60 53744.92  8306.15  398.302   26.026  359.374   28.895 0.000000 0.000000 
1 1 1   12    0   12 o   52.248   19.259  1486.03  756.468  1486.03  756.468   0.0000   0.0000   52.248   19.259   52.248   19.259 0.000000 0.000000 
1 1 1   12    0   13 o  137.559   9.8037  7806.80  1082.23  7015.30  1534.24  8590.62  1526.78  128.659   15.251  143.487   13.372 0.000000 0.000000 
1 1 1   12    0   14 o  784.801   38.425 256660.70 24351.83 273834.59 34466.28 239541.70 34411.16  801.360   53.518  745.953   57.603 0.000000 0.000000 
1 1 1   12    0   15 o  694.682   34.278 200910.70 19227.70 203802.70 27228.55 198034.09 27155.73  690.798   49.114  680.365   49.769 0.000000 0.000000 
1 1 1   12    0   16 f  365.134   18.865 54915.30  5558.92 54485.03  7921.65 55332.74  7802.70  360.811   27.403  363.912   26.738 0.000000 0.000000 
1 1 1   12    0   17 o   19.393   12.733 -85.5690  504.280 -180.8333  934.411 -46.4214  598.998   26.157   17.229   21.734   14.130 0.000000 0.000000 
1 1 1   12    0   18 o  163.468   11.451 11053.99  1502.73 11538.43  2267.95 10674.86  2006.36  165.128   17.354  159.187   15.885 0.000000 0.000000 
1 1 1   12    0   19 o  244.067   14.280 24676.69  2807.75 28789.45  4228.30 21432.79  3755.20  261.393   20.199  224.494   21.025 0.000000 0.000000 
1 1 1   12    0   20 o  264.243   15.013 29050.16  3197.35 34883.57  4804.65 24413.48  4283.55  286.768   20.889  238.153   22.621 0.000000 0.000000 
1 1 1   12    0   21 o   85.180   14.288  3227.12  904.654  6210.07  1815.13  2241.28  1043.49  116.513   21.288   64.244   22.199 0.000000 0.000000 
1 1 1   12    0   22 o  204.625   13.792 17581.29  2267.59 19159.34  3580.54 16524.51  2930.09  208.912   21.640  195.445   18.867 0.000000 0.000000 
1 1 1   12    0   23 o  147.613   13.922  9316.76  1634.54 11244.80  3125.59  8590.99  1917.66  152.813   27.956  139.413   17.721 0.000000 0.000000 
1 1 1   12    0   24 o   75.419   19.752  2864.12  1045.14  2435.32  2402.47  2964.22  1160.73   57.795   32.871   75.115   21.917 0.000000 0.000000 
1 1 1   12    0   25 o   18.843   13.306 -894.3224  820.845   0.0000   0.0000 -894.3224  820.845   18.843   13.306   18.843   13.306 0.000000 0.000000 
1 1 1   12    0   26 o   68.256   23.919  2818.94  1201.03   0.0000   0.0000  2818.94  1201.03   68.256   23.919   68.256   23.919 0.000000 0.000000 
1 1 1   12    2    0 o  877.568   64.436 339051.31 45593.16   0.0000   0.0000 339051.31 45593.16  ?   ?   877.568   64.436 0.000000 64.43587 
1 1 1   12    2    1 o  661.890   47.223 186065.41 25212.61   0.0000   0.0000 186065.41 25212.61  ?   ?   661.890   47.223 0.000000 47.22288 
1 1 1   12    2    5 o  531.604   18.168 115060.10  7842.21 116425.50 11099.83 113699.10 11081.32  533.999   25.600  527.678   25.863 6.320374 36.39044 
1 1 1   12    2    6 o  538.192   18.338 117870.90  8013.53 119132.40 11343.17 116614.00 11322.54  540.437   25.849  534.672   26.081 5.765198 36.72049 
1 1 1   12    2    7 o  849.150   28.645 294207.19 19750.31 300407.41 27942.13 288016.69 27920.20  855.979   40.203  837.968   41.035 18.01050 57.44682 
1 1 1   12    2    8 o  224.195   9.7625 20417.15  1777.15 18901.05  3081.02 21173.07  2175.53  214.840   17.823  227.975   11.793 -13.13487 21.37145 
1 1 1   12    2    9 o  295.461   10.573 35466.27  2536.62 36490.92  3597.37 34452.98  3577.36  299.598   14.788  290.704   15.208 8.893860 21.21276 
1 1 1   12    2   10 o  320.624   11.415 41783.29  2971.78 43977.08  4210.93 39606.50  4194.58  328.760   15.775  311.516   16.643 17.24399 22.93134 
1 1 1   12    2   11 o  528.513   18.024 113913.70  7734.64 115913.20 10945.87 111919.70 10931.02  531.965   25.341  522.644   25.758 9.320801 36.13403 
1 1 1   12    2   12 o  994.315   49.290 419696.81 39793.93 419880.81 56295.26 419513.19 56258.99  968.887   72.074  968.481   72.058 0.4059448 101.9168 
1 1 1   12    2   13 o  436.599   15.226 77775.89  5397.72 74152.83  7637.99 81390.50  7629.07  424.550   22.234  445.612   21.085 -21.06122 30.64232 
1 1 1   12    2   14 o  348.690   12.543 49557.33  3551.28 48538.34  5027.37 50572.20  5017.19  343.894   18.068  351.574   17.575 -7.679291 25.20588 
1 1 1   12    2   15 o  525.705   18.331 113328.60  7824.73 115616.00 11069.66 111044.30 11062.01  528.409   25.800  516.974   26.441 11.43500 36.94324 
1 1 1   12    2   16 o  189.586   8.2313 14627.67  1267.10 14987.93  1790.60 14266.31  1793.31  191.335   11.580  186.611   11.897 4.723557 16.60263 
1 1 1   12    2   17 f  447.494   15.891 82222.71  5773.88 81670.27  8166.81 82774.78  8164.17  442.823   22.791  445.897   22.624 -3.073273 32.11313 
1 1 1   12    2   18 o  435.944   15.590 78373.01  5518.52 77099.98  7804.33 79646.08  7804.42  428.258   22.523  435.538   22.142 -7.280396 31.58355 
1 1 1   12    2   19 o  147.618   8.2830  8933.65  988.798  9385.94  1399.66  8483.02  1397.09  150.649   11.530  143.030   12.145 7.618713 16.74609 
1 1 1   12    2   20 o   39.151   12.454  624.876  445.515  1281.44  601.432 -173.4541  663.193   54.472   13.631   30.798   13.583 23.67353 19.24331 
1 1 1   12    2   21 o  127.507   8.6185  6712.85  887.055  7013.76  1260.62  6417.72  1248.44  129.305   12.149  123.481   12.629 5.823280 17.52455 
1 1 1   12    2   22 o   32.301   13.963 -34.5435  671.226 -242.5826  880.765  253.679  1036.70   34.860   15.500   42.673   17.854 -7.812664 23.64355 
1 1 1   12    2   23 o  178.290   10.089 13313.07  1454.56 12924.40  2021.72 13730.15  2094.32  172.854   14.540  178.141   14.608 -5.286911 20.61035 
1 1 1   12    2   24 o   57.190   13.984  1478.08  643.927  747.856  872.111  2353.34  954.795   45.169   17.186   71.178   16.792 -26.00953 24.02753 
1 1 1   12    2   25 o   65.855   13.718  1992.91  709.711  2425.41  904.718  1300.95  1144.35   71.456   15.992   53.242   19.808 18.21414 25.45774 
1 1 1   12    4    0 o  628.457   30.686 163037.91 15658.59 172851.41 22161.09 153253.50 22128.12  640.813   42.838  601.801   45.624 39.01245 62.58341 
1 1 1   12    4    1 o  373.971   14.299 56975.31  4341.88 66590.95  7580.31 52280.23  5296.87  402.498   23.294  357.376   18.315 45.12186 29.63223 
1 1 1   12    4    2 o  443.129   13.757 79947.03  4949.89 79695.48  6994.62 80199.38  7005.80  441.799   19.499  443.197   19.468 -1.398407 27.55352 
1 1 1   12    4    3 o  229.803   8.8644 21461.22  1654.03 22129.56  2342.94 20797.19  2335.39  232.912   12.434  225.738   12.794 7.173645 17.84058 
1 1 1   12    4    4 o  647.067   22.064 170802.70 11592.48 168705.91 16402.29 172895.41 16386.20  641.490   31.490  649.490   31.072 -7.999695 44.23908 
1 1 1   12    4    5 o  1074.57   36.372 473671.81 31735.03 470593.19 44888.00 476748.31 44872.21  1065.41   51.889  1072.51   51.527 -7.099243 73.12671 
1 1 1   12    4    6 o  1448.88   56.451 870374.62 66411.70 970282.38 115071.00 820475.88 81322.35  1499.00   95.034  1396.03   71.988 102.9757 119.2212 
1 1 1   12    4    7 o  951.163   31.672 369473.69 24460.34 396060.81 34602.60 342918.59 34581.70  982.260   43.385  912.005   46.858 70.25525 63.85870 
1 1 1   12    4    8 o  1256.20   42.144 647180.81 42986.75 647457.88 60802.18 646903.81 60782.71  1250.05   59.904  1249.51   59.910 0.5377197 84.72128 
1 1 1   12    4    9 o  800.630   26.907 261504.80 17492.04 258755.91 24748.26 264249.00 24726.73  794.426   38.367  802.904   37.928 -8.477539 53.94960 
1 1 1   12    4   10 o  378.047   13.106 58121.57  4023.02 60048.03  5700.53 56210.09  5678.35  383.952   18.285  370.959   18.915 12.99289 26.30815 
1 1 1   12    4   11 o  118.893   6.2821  5758.19  604.304  5825.33  846.771  5688.50  862.682  119.393   8.7966  117.950   9.0774 1.443588 12.64045 
1 1 1   12    4   12 o  402.108   16.477 65988.27  5379.78 58200.40  9372.96 69814.38  6569.71  373.911   31.156  413.156   19.584 -39.24533 36.79963 
1 1 1   12    4   13 o  572.719   19.837 134326.59  9224.79 131672.00 13055.37 136973.30 13036.29  563.719   28.616  575.912   27.878 -12.19232 39.95089 
1 1 1   12    4   14 o  409.212   14.476 68352.96  4809.88 66790.33  6811.52 69907.05  6792.91  402.808   20.898  412.769   20.268 -9.960999 29.11206 
1 1 1   12    4   15 o  157.359   7.4872 10070.24  956.645  9605.02  1357.49 10529.21  1348.35  153.139   10.990  160.443   10.406 -7.303329 15.13531 
1 1 1   12    4   16 o   34.355   11.261  460.982  362.514  282.755  497.901  662.049  528.842   33.253   12.899   41.233   13.605 -7.979485 18.74804 
1 1 1   12    4   17 o  474.128   16.660 92450.73  6413.78 93436.49  9081.66 91469.84  9059.29  473.591   23.617  467.867   23.927 5.724487 33.61937 
1 1 1   12    4   18 o  190.581   8.5903 14820.42  1329.31 17913.54  1936.88 12066.12  1827.73  208.809   11.468  170.869   13.278 37.94031 17.54473 
1 1 1   12    4   19 o  116.248   8.0169  5547.96  752.085  4164.46  1039.43  7068.14  1089.56   99.583   13.179  130.840   10.340 -31.25695 16.75104 
1 1 1   12    4   20 o   86.671   9.3533  3120.37  647.795  2673.99  846.808  3750.11  1005.82   79.112   13.678   94.052   13.563 -14.93977 19.26206 
1 1 1   12    4   21 o   77.394   10.844  2526.39  662.729  2808.20  862.170  2119.41  1036.10   80.876   13.613   69.038   18.218 11.83808 22.74194 
1 1 1   12    4   22 o   60.725   13.645  1615.74  656.397  1401.70  837.752  1956.08  1056.38   56.477   16.930   65.889   18.814 -9.412102 25.30967 
1 1 1   12    4   23 o   19.860   9.7065 -946.1400  518.226 -807.7152  642.285 -1204.3510  877.220   24.306   11.608   27.607   13.285 -3.301590 17.64226 
1 1 1   12    4   24 o   99.417   18.226  4624.14  1417.05   0.0000   0.0000  4624.14  1417.05  ?   ?    99.417   18.226 0.000000 18.22607 
1 1 1   12    4   25 o   44.009   18.728  448.781  1172.57   0.0000   0.0000  448.781  1172.57  ?   ?    44.009   18.728 0.000000 18.72821 
1 1 1   12    6    0 o  751.417   36.729 233757.00 22408.99 223427.70 31707.10 244065.50 31675.13  724.607   54.285  759.085   51.699 -34.47821 74.96474 
1 1 1   12    6    2 o  369.833   14.186 55661.76  4259.89 61035.57  7465.97 53067.82  5187.10  385.695   23.958  360.873   17.702 24.82202 29.78887 
1 1 1   12    6    3 o  593.381   23.272 143715.59 11212.37 144243.80 19482.73 143454.00 13710.41  589.832   40.934  592.046   28.520 -2.214111 49.88963 
1 1 1   12    6    4 o  175.958   6.6841 12574.32  954.971 12745.18  1347.10 12401.70  1353.99  176.867   9.4141  174.448   9.5959 2.418793 13.44271 
1 1 1   12    6    5 o  218.475   7.9427 19386.69  1409.00 18485.65  1994.18 20284.91  1991.07  212.971   11.575  223.434   10.975 -10.46359 15.95118 
1 1 1   12    6    6 o  584.815   19.397 139173.20  9210.53 142594.41 13031.84 135758.50 13019.49  591.301   27.143  576.890   27.795 14.41113 38.84965 
1 1 1   12    6    7 o  652.039   25.399 173239.91 13447.03 159253.50 23262.75 180258.59 16479.18  620.826   46.485  664.574   30.539 -43.74817 55.61946 
1 1 1   12    6    8 o  1146.45   38.306 538323.31 35658.36 532520.81 50438.25 544121.31 50418.82  1135.09   54.726  1147.62   54.108 -12.52551 76.95793 
1 1 1   12    6    9 o  749.307   25.160 229047.80 15307.84 229398.20 21660.08 228698.20 21637.06  748.063   35.660  746.917   35.677 1.145569 50.44295 
1 1 1   12    6   10 o   97.504   5.9121  3875.44  465.847  4195.99  675.453  3584.65  643.335  101.285   8.2858   93.534   8.5660 7.750252 11.91765 
1 1 1   12    6   11 o  487.302   19.013 96993.55  7522.79 92283.88  9218.34 106383.30 13016.21  473.875   24.037  506.649   31.801 -32.77383 39.86346 
1 1 1   12    6   12 o  162.948   8.5052 10824.76  1121.41  9493.59  2040.76 11400.59  1342.21  151.565   16.869  167.115   9.9364 -15.55025 19.57779 
1 1 1   12    6   13 o  247.423   9.1678 24901.83  1841.80 25606.24  2613.64 24206.99  2595.84  250.331   12.902  243.341   13.187 6.989655 18.44922 
1 1 1   12    6   14 o  304.720   11.124 37823.88  2752.37 35927.22  3901.85 39702.34  3883.09  295.976   16.299  311.726   15.341 -15.74976 22.38323 
1 1 1   12    6   15 o  237.927   9.3372 23046.84  1803.84 21863.85  2552.05 24227.91  2549.99  230.975   13.669  243.294   12.955 -12.31915 18.83245 
1 1 1   12    6   16 o   45.486   10.527  877.302  381.107  1818.22  536.330 -82.3503  541.642   66.002   10.348   28.847   12.507 37.15483 16.23265 
1 1 1   12    6   17 o  359.566   13.221 52950.66  3859.86 52402.50  5472.29 53493.39  5445.15  355.564   19.024  359.368   18.726 -3.804535 26.69355 
1 1 1   12    6   18 o  124.880   7.9151  6386.37  798.432  7466.84  1144.06  5360.43  1114.81  134.652   10.548  113.624   12.279 21.02715 16.18750 
1 1 1   12    6   19 f   55.500   11.605  1314.91  506.151  458.485  667.120  2476.65  776.988   39.387   15.020   76.401   12.990 -37.01352 19.85808 
1 1 1   12    6   20 o   62.965   9.8758  1669.46  488.293  1907.06  636.738  1330.23  760.809   66.855   12.178   55.554   15.998 11.30050 20.10601 
1 1 1   12    6   21 o  138.187   8.8613  7893.85  989.025  6422.55  1313.96  9817.02  1502.25  123.148   13.355  153.004   12.193 -29.85601 18.08381 
1 1 1   12    6   22 o  127.374   13.198  6915.95  1345.19  9734.13  3121.52  6273.23  1490.71  140.841   28.278  120.107   15.658 20.73398 32.32413 
1 1 1   12    6   23 o   26.848   12.754 -850.6627  754.047 -618.2848  2715.42 -870.0791  784.917   56.740   26.015   27.465   13.036 29.27513 29.09846 
1 1 1   12    6   24 o   26.456   12.009 -263.9781  560.276 -402.5927  607.715  521.327  1446.49   26.375   12.171   48.989   20.823 -22.61385 24.11909 
1 1 1   12    6   25 o   69.470   13.517  2221.08  735.014  2481.79  858.251  1503.76  1423.62   72.557   15.061   56.055   21.792 16.50232 26.49044 
1 1 1   12    8    0 o  865.705   42.009 309766.00 29528.86 311370.31 41778.84 308164.59 41741.42  858.004   60.354  853.399   60.633 4.605774 85.55099 
1 1 1   12    8    1 o  642.695   31.228 169273.70 16296.21 170130.09 23058.96 168419.09 23033.70  639.740   44.672  636.438   44.860 3.301514 63.30851 
1 1 1   12    8    2 o  165.001   10.306 11106.41  1373.90 10380.47  1951.19 11820.27  1934.88  159.009   15.302  169.897   14.155 -10.88799 20.84442 
1 1 1   12    8    3 o  625.233   24.356 159435.91 12364.67 160621.50 21517.58 158851.50 15108.11  623.178   42.784  623.369   29.849 -0.1908569 52.16722 
1 1 1   12    8    4 o  859.546   31.762 302045.41 22167.31 326794.09 38480.41 289753.31 27119.22  886.844   53.692  840.224   39.751 46.61945 66.80486 
1 1 1   12    8    5 o  929.311   35.483 353383.69 26774.75 407026.19 46458.81 326706.81 32762.81  989.269   58.093  890.193   45.479 99.07568 73.77776 
1 1 1   12    8    6 f  1215.23   58.684 611439.62 57905.36   0.0000   0.0000 611439.62 57905.36  ?   ?   1215.23   58.684 0.000000 58.68424 
1 1 1   12    8    7 o  1430.90   54.993 845925.81 63892.87 962823.12 110755.10 787618.69 78220.90  1501.52   91.277  1371.44   70.482 130.0819 115.3219 
1 1 1   12    8    8 f  1149.49   44.642 543758.81 41666.41 562246.12 51029.04 506776.69 72173.10  1165.27   53.933  1089.68   82.176 75.58923 98.29377 
1 1 1   12    8    9 o  399.620   13.219 64944.04  4289.43 68257.14  6072.63 61645.01  6059.72  409.371   18.269  388.974   19.186 20.39771 26.49310 
1 1 1   12    8   10 o  718.654   27.102 211884.41 15814.52 202101.59 19372.79 231425.50 27380.16  699.745   34.097  742.728   45.622 -42.98267 56.95581 
1 1 1   12    8   11 o  469.971   15.708 90086.21  5994.02 84091.27  8485.80 96055.84  8467.87  452.262   23.186  484.313   21.533 -32.05017 31.64291 
1 1 1   12    8   12 o  394.208   16.106 63439.32  5155.38 64317.01  9040.58 63016.37  6275.78  393.656   28.476  391.856   19.788 1.800262 34.67671 
1 1 1   12    8   13 o  446.559   15.865 81460.97  5752.51 84609.12  8150.40 78336.07  8120.24  453.789   22.120  435.844   23.027 17.94516 31.93048 
1 1 1   12    8   14 o  285.413   10.651 33179.91  2468.25 32973.21  3501.56 33384.06  3479.81  283.633   15.260  285.433   15.068 -1.800293 21.44585 
1 1 1   12    8   15 o  103.894   6.8701  4408.35  576.276  4494.21  811.593  4321.04  818.404  104.605   9.6646  102.515   9.9577 2.090485 13.87658 
1 1 1   12    8   16 o   96.397   6.9921  3800.00  543.563  4310.20  740.491  3203.86  800.431  102.476   8.9902   87.859   11.496 14.61720 14.59383 
1 1 1   12    8   17 o  192.777   8.2832 15145.79  1296.55 15392.06  1840.18 14903.02  1827.08  193.612   11.761  190.480   11.872 3.132263 16.71165 
1 1 1   12    8   18 f  222.010   9.0964 20150.86  1639.76 20178.60  2331.36 20123.70  2306.77  220.980   13.051  220.715   12.928 0.2649231 18.37029 
1 1 1   12    8   19 o  191.255   8.6410 14981.53  1341.89 14636.57  1907.64 15319.40  1887.94  187.724   12.588  192.214   12.159 -4.490540 17.50169 
1 1 1   12    8   20 o   65.724   13.883  1868.71  717.637  1329.77  2085.99  1941.06  764.290   66.026   26.164   66.874   14.494 -0.8474121 29.91054 
1 1 1   12    8   21 o  166.692   11.324 11608.37  1523.56 10455.89  3130.46 11966.09  1744.06  149.016   26.860  168.583   12.838 -19.56685 29.77055 
1 1 1   12    8   22 o   28.348   12.062   28.378  486.273  101.234  542.902 -267.2187  1093.55   30.859   12.917   38.686   17.231 -7.826311 21.53508 
1 1 1   12    8   23 o   87.172   10.890  3246.62  753.965  3141.42  883.926  3527.56  1444.50   84.736   13.284   85.836   20.917 -1.099968 24.77892 
1 1 1   12    8   24 o   92.480   10.532  3682.60  776.751  3581.90  988.026  3845.55  1256.84   89.265   14.100   90.110   17.809 -0.8448563 22.71507 
1 1 1   12    8   25 o  119.356   11.784  6331.57  1127.08  6854.34  1331.56  5010.67  2116.60  122.506   13.617   89.528   26.927 32.97707 30.17397 
1 1 1   12   10    0 o  668.686   32.471 182990.80 17629.93   0.0000   0.0000 182990.80 17629.93  ?   ?   668.686   32.471 0.000000 32.47059 
1 1 1   12   10    1 o  1519.49  112.034 1027769.00 137249.50   0.0000   0.0000 1027769.00 137249.50  ?   ?   1519.49  112.034 0.000000 112.0338 
1 1 1   12   10    3 o  671.456   32.376 184293.20 17651.39 195552.20 24990.40 173083.80 24935.37  688.081   44.977  646.430   47.847 41.65179 65.66767 
1 1 1   12   10    4 o  709.152   34.323 205624.91 19763.62   0.0000   0.0000 205624.91 19763.62  ?   ?   709.152   34.323 0.000000 34.32329 
1 1 1   12   10    5 o  356.635   14.033 51694.92  4063.50 60342.11  7153.35 47575.18  4937.49  384.259   23.033  341.545   17.866 42.71442 29.15012 
1 1 1   12   10    6 o  735.479   27.637 220593.50 16504.33 263559.00 28698.32 199360.70 20174.34  799.923   44.358  697.245   35.755 102.6777 56.97446 
1 1 1   12   10    7 o  612.415   24.705 152888.20 12285.01 145040.00 21389.65 156751.50 15007.08  592.109   44.822  619.526   29.833 -27.41736 53.84288 
1 1 1   12   10    8 o  1088.60   41.602 488578.19 36772.29 500453.81 45032.51 464813.81 63703.27  1097.77   50.521  1041.12   75.879 56.65625 91.15980 
1 1 1   12   10    9 o  544.355   18.538 120838.60  8193.86 114314.60 11592.08 127353.10 11583.66  527.436   27.160  557.717   25.580 -30.28046 37.30927 
1 1 1   12   10   10 o  677.798   22.634 188188.30 12456.68 177880.70 17622.35 198481.91 17610.46  654.814   33.253  693.285   31.284 -38.47089 45.65593 
1 1 1   12   10   11 o  286.873   10.262 33482.25  2390.27 29016.81  3383.24 37932.41  3377.46  266.219   15.721  305.094   13.634 -38.87466 20.80958 
1 1 1   12   10   12 o  638.454   25.247 167922.20 13088.14 177662.41 22814.66 163144.30 15978.98  646.123   43.745  626.034   31.536 20.08911 53.92720 
1 1 1   12   10   13 o  622.667   20.554 159181.59 10391.99 157230.59 14708.95 161125.91 14684.07  615.240   29.444  623.012   29.028 -7.772461 41.34684 
1 1 1   12   10   14 o  778.896   26.862 251862.41 16988.85 258085.59 24040.73 245654.50 24011.03  779.921   37.963  759.074   39.090 20.84705 54.49041 
1 1 1   12   10   15 o  201.295   8.8899 16498.36  1453.00 18429.12  2053.66 14563.08  2056.06  212.164   11.970  188.283   13.539 23.88127 18.07192 
1 1 1   12   10   16 o  171.971   7.4879 12037.82  1045.57 10911.91  1472.78 13181.91  1484.62  163.093   11.189  179.468   10.230 -16.37498 15.16103 
1 1 1   12   10   17 o  284.374   10.881 33089.13  2512.40 36460.80  3580.54 29818.97  3526.23  297.521   14.822  268.202   16.269 29.31824 22.00833 
1 1 1   12   10   18 o  170.106   10.204 11908.03  1402.84 14521.48  3076.55 11222.02  1576.24  184.199   20.943  164.721   11.865 19.47714 24.06989 
1 1 1   12   10   19 o   36.154   14.196  329.960  608.834  2438.50  1691.13   15.970  652.593   75.070   24.306   32.742   13.954 42.32765 28.02633 
1 1 1   12   10   20 o  190.044   10.755 14987.24  1652.81 14769.88  2046.90 15394.50  2801.82  187.481   13.537  188.712   18.524 -1.230179 22.94341 
1 1 1   12   10   21 o  152.424   10.016  9667.77  1232.72  9623.37  1483.80  9766.68  2214.76  151.195   12.190  148.852   18.740 2.343246 22.35580 
1 1 1   12   10   22 o  118.340   8.9838  5839.14  856.794  5525.53  1128.74  6265.51  1316.10  113.751   12.423  120.595   13.683 -6.843681 18.48099 
1 1 1   12   10   23 o   27.623   12.096 -71.4505  517.466  332.023  594.691 -1329.3770  1050.05   35.128   13.954   30.388   14.601 4.739624 20.19666 
1 1 1   12   10   24 o   46.905   12.990  998.626  511.706  1515.01  576.837 -908.4938  1108.55   57.904   12.625   33.277   15.705 24.62746 20.14991 
1 1 1   12   10   25 o   46.434   14.122  1020.72  579.855  622.701  635.867  2986.01  1412.95   39.142   14.725   72.453   22.047 -33.31049 26.51251 
1 1 1   12   12    0 o  1106.73   53.485 506273.69 48063.07   0.0000   0.0000 506273.69 48063.07  ?   ?   1106.73   53.485 0.000000 53.48475 
1 1 1   12   12    1 o  1366.70   66.637 779098.38 73947.79   0.0000   0.0000 779098.38 73947.79  ?   ?   1366.70   66.637 0.000000 66.63690 
1 1 1   12   12    2 o  1326.08   94.449 755155.81 101032.20   0.0000   0.0000 755155.81 101032.20  ?   ?   1326.08   94.449 0.000000 94.44942 
1 1 1   12   12    3 o  635.301   30.806 164760.20 15891.23 168940.91 22502.00 160600.59 22445.29  640.132   43.551  623.825   44.607 16.30731 62.34162 
1 1 1   12   12    4 o  882.826   42.185 319685.31 30239.19 346306.19 42806.82 293169.09 42722.64  912.958   58.048  837.878   63.263 75.07910 85.85919 
1 1 1   12   12    5 o  1092.06   41.724 489355.81 36997.75 536236.31 64226.95 466073.69 45261.82  1130.24   70.334  1062.51   52.464 67.73389 87.74606 
1 1 1   12   12    6 o  1351.56   52.547 756159.81 57666.39 817247.31 100027.90 725750.19 70574.88  1377.37   89.934  1315.14   66.304 62.22913 111.7333 
1 1 1   12   12    7 o  878.585   41.870 318490.31 29869.04 348725.19 42313.37 288460.81 42169.38  911.271   57.481  825.486   63.399 85.78516 85.57693 
1 1 1   12   12    8 o  904.211   36.113 337506.69 26514.13 326371.19 46072.54 343020.81 32420.84  870.702   65.651  907.954   43.977 -37.25201 79.01891 
1 1 1   12   12    9 f  555.926   22.370 126543.30 10097.71 123471.50 17653.43 128037.00 12310.44  542.609   40.357  558.076   27.167 -15.46631 48.64933 
1 1 1   12   12   10 o  146.417   6.2664  8710.22  744.987  7981.88  1040.50  9476.33  1067.14  139.796   9.2184  152.421   8.6583 -12.62561 12.64697 
1 1 1   12   12   11 o  142.108   6.5332  8206.49  753.850  7589.69  1061.60  8833.88  1070.67  136.246   9.6588  147.102   9.0073 -10.85620 13.20693 
1 1 1   12   12   12 o   27.102   8.5545  293.940  210.500  569.738  243.167 -530.6573  420.466   36.701   8.3483   20.049   9.5237 16.65181 12.66473 
1 1 1   12   12   13 o  381.717   13.908 59492.46  4310.81 58591.31  6106.85 60387.46  6086.01  377.161   20.013  383.016   19.635 -5.854858 28.03678 
1 1 1   12   12   14 o  311.460   12.300 39588.89  3110.64 39643.52  4407.32 39534.67  4390.96  310.361   17.561  309.943   17.519 0.4181824 24.80580 
1 1 1   12   12   15 o  534.406   18.839 117645.60  8174.81 114961.00 11577.75 120314.70 11544.19  523.464   27.334  536.656   26.493 -13.19171 38.06621 
1 1 1   12   12   16 o   81.207   10.175  2733.94  656.214  3613.66  1605.56  2557.51  719.010   91.375   21.921   78.239   11.675 13.13565 24.83662 
1 1 1   12   12   17 o  219.207   10.957 19697.81  1950.30 27758.31  3963.70 17122.96  2240.25  257.057   19.127  203.406   13.643 53.65126 23.49451 
1 1 1   12   12   18 o  134.387   8.8536  7427.96  960.674  8603.73  1195.14  5281.21  1614.91  144.370   10.262  110.566   18.652 33.80428 21.28870 
1 1 1   12   12   19 f   47.179   11.516  956.940  437.293  888.406  513.294  1138.34  835.090   45.672   13.137   52.500   17.086 -6.828518 21.55249 
1 1 1   12   12   20 o  135.148   8.4256  7538.67  919.984  6946.48  1221.32  8315.44  1398.77  128.684   11.821  140.678   12.371 -11.99438 17.11094 
1 1 1   12   12   21 o  160.334   9.4339 10683.80  1222.75 11969.08  1681.76  9242.44  1780.95  168.359   12.389  146.395   15.204 21.96439 19.61299 
1 1 1   12   12   22 o   83.495   9.2195  2933.63  614.614  3360.26  742.966  2008.72  1093.93   88.991   10.483   65.860   19.246 23.13151 21.91634 
1 1 1   12   12   23 o   60.340   11.397  1597.74  537.905  664.884  634.910  3970.24  1012.53   41.110   14.842   94.766   13.544 -53.65519 20.09332 
1 1 1   12   12   24 o   72.001   11.301  2294.40  638.925  2947.05  757.638  687.392  1188.86   81.489   11.793   46.493   19.257 34.99610 22.58175 
1 1 1   12   14    0 o  929.700   44.880 355132.31 33879.46   0.0000   0.0000 355132.31 33879.46  ?   ?   929.700   44.880 0.000000 44.88025 
1 1 1   12   14    1 o  273.223   12.339 30334.67  2737.33 31801.15  4757.39 29608.88  3346.85  278.704   21.181  269.431   15.362 9.273438 26.16558 
1 1 1   12   14    2 o  1107.04   43.721 503337.41 39300.11 530495.12 68042.43 489742.19 48142.30  1121.72   75.141  1087.15   54.713 34.56506 92.94960 
1 1 1   12   14    3 o  1656.99   81.151 1161499.00 109182.80 1225872.00 154445.91 1097189.00 154369.80  1665.99  114.876  1567.50  122.254 98.48926 167.7575 
1 1 1   12   14    4 o  1034.76   49.760 442264.41 41808.07 467442.31 59173.62 417168.09 59077.60  1053.17   69.590  992.401   73.844 60.77136 101.4678 
1 1 1   12   14    5 o  233.463   13.386 22233.84  2526.84 23987.56  3646.29 20613.50  3504.89  242.004   18.701  224.141   19.451 17.86278 26.98300 
1 1 1   12   14    6 o  236.755   13.445 22874.06  2574.02 25755.02  3718.47 20223.45  3566.71  250.747   18.392  221.819   20.019 28.92781 27.18489 
1 1 1   12   14    7 o  491.963   26.634 99522.92 10599.50 80941.04 15195.05 117134.40 14792.94  438.823   43.206  531.651   34.454 -92.82846 55.26125 
1 1 1   12   14    8 o  253.408   11.513 26131.44  2368.96 24624.13  4309.23 26784.27  2835.95  244.280   21.960  256.069   13.689 -11.78822 25.87761 
1 1 1   12   14    9 o  177.431   9.1512 12836.45  1313.90 12868.09  2493.78 12824.29  1545.87  176.625   17.624  177.198   10.796 -0.5723877 20.66770 
1 1 1   12   14   10 o  233.755   10.732 22240.05  2036.95 21281.07  3736.27 22645.63  2429.80  226.999   20.492  235.411   12.759 -8.411591 24.13968 
1 1 1   12   14   11 o  226.720   10.834 20929.47  1994.41 19888.28  3694.03 21357.84  2369.42  219.154   21.017  228.539   12.820 -9.385483 24.61869 
1 1 1   12   14   12 o  236.740   11.480 22839.44  2206.69 17094.59  4062.15 25244.47  2628.31  201.861   25.342  248.415   13.077 -46.55345 28.51707 
1 1 1   12   14   13 o  452.164   18.510 83944.94  6795.76 85882.48 12051.91 83041.70  8228.71  450.723   33.164  447.918   22.699 2.805084 40.18868 
1 1 1   12   14   14 o  279.984   12.447 32016.51  2829.65 34663.90  5196.92 30900.91  3373.57  288.607   22.351  274.250   15.209 14.35770 27.03517 
1 1 1   12   14   15 o  248.629   12.151 25277.59  2452.95 20616.61  4541.76 27197.08  2914.59  220.414   25.869  257.223   14.008 -36.80855 29.41832 
1 1 1   12   14   16 o  374.523   15.815 57933.89  4809.21 59890.52  5923.04 54148.17  8238.81  378.755   19.324  354.117   28.906 24.63773 34.77004 
1 1 1   12   14   17 o  103.982   8.1254  4444.66  680.571  4550.65  805.457  4180.12  1272.46  104.977   9.5541   98.948   16.413 6.029083 18.99144 
1 1 1   12   14   18 o  113.279   7.5708  5271.08  692.343  6000.19  926.592  4349.51  1041.73  120.498   9.5486  101.657   12.912 18.84116 16.05899 
1 1 1   12   14   19 o   77.422   8.2032  2486.73  507.835  2731.43  603.701  1894.50  939.185   80.934   9.3591   65.549   17.368 15.38553 19.72914 
1 1 1   12   14   20 o   29.760   10.629  317.388  324.714  316.409  352.076  322.963  840.113   30.305   11.035   40.154   16.361 -9.849058 19.73483 
1 1 1   12   14   21 o  118.844   8.5498  5870.14  819.524  5264.78  1023.34  6952.57  1368.40  111.480   11.469  127.334   13.438 -15.85403 17.66701 
1 1 1   12   14   22 o   70.538   9.6114  2116.75  536.158  2548.30  617.269  790.748  1082.01   77.345   10.068   48.382   18.946 28.96246 21.45480 
1 1 1   12   14   23 o   90.178   9.3813  3465.73  676.865  3335.76  807.459  3772.91  1241.36   87.352   11.677   89.141   17.774 -1.789055 21.26656 
1 1 1   12   14   24 o   24.859   10.665   27.615  385.798 -21.0180  403.658  541.013  1311.52   24.636   10.738   45.604   19.616 -20.96823 22.36317 
1 1 1   12   16    0 o  567.447   28.048 131520.80 12923.07   0.0000   0.0000 131520.80 12923.07  ?   ?   567.447   28.048 0.000000 28.04802 
1 1 1   12   16    1 o  784.579   30.989 251813.41 19741.71 251162.91 34225.25 252137.70 24167.40  775.601   54.697  783.597   37.984 -7.995728 66.59213 
1 1 1   12   16    2 o  681.982   27.294 190020.91 15113.78 196151.91 26169.68 186952.50 18513.41  687.074   47.195  675.325   33.763 11.74872 58.02843 
1 1 1   12   16    3 o  228.012   13.291 21214.47  2449.93 26934.79  3529.54 15895.84  3403.36  256.655   17.034  196.243   21.723 60.41188 27.60492 
1 1 1   12   16    4 o  357.708   18.540 52289.00  5366.33 58033.04  7648.85 46720.88  7530.81  375.897   25.206  336.642   27.800 39.25507 37.52569 
1 1 1   12   16    5 o  301.932   16.389 37255.04  4002.96 38565.64  5736.94 36011.59  5588.06  306.216   23.247  295.809   23.458 10.40668 33.02573 
1 1 1   12   16    6 o  112.458   8.2527  5167.76  748.311  8361.74  1402.32  3896.19  884.818  142.820   12.210   97.194   11.430 45.62579 16.72522 
1 1 1   12   16    7 o  504.518   19.205 104061.80  7867.45 111690.60 13869.95 100442.90  9552.98  518.144   33.141  494.751   23.780 23.39316 40.79001 
1 1 1   12   16    8 o  158.525   7.8377 10215.41  1008.84 14220.03  1982.55  8816.12  1171.92  186.357   13.187  146.883   9.8837 39.47346 16.48003 
1 1 1   12   16    9 o  248.910   10.165 25212.09  2054.35 33220.47  3809.64 21928.49  2439.43  284.699   16.552  231.600   13.025 53.09918 21.06189 
1 1 1   12   16   10 o  391.774   16.504 62741.96  5250.02 60519.96  9368.58 63759.18  6338.83  380.485   30.583  393.842   19.886 -13.35794 36.48014 
1 1 1   12   16   11 o  107.392   8.3967  4720.18  726.359  3654.20  1606.75  4993.98  814.319   92.428   21.769  110.399   9.1672 -17.97104 23.62016 
1 1 1   12   16   12 o  287.447   12.939 33728.30  3019.88 31881.61  5536.00 34510.61  3603.19  276.382   24.937  290.044   15.354 -13.66229 29.28542 
1 1 1   12   16   13 o  268.330   15.692 29600.77  3403.98 27964.47  5053.54 30959.79  4605.50  258.502   24.364  273.139   20.925 -14.63705 32.11642 
1 1 1   12   16   14 o  227.165   14.603 21241.65  2679.22 18512.33  4109.82 23258.82  3533.20  209.297   24.657  236.792   18.524 -27.49500 30.83976 
1 1 1   12   16   15 o  227.663   14.121 21384.50  2597.45 28492.46  4231.11 17085.71  3290.45  260.900   20.129  201.585   20.383 59.31523 28.64653 
1 1 1   12   16   16 o  144.846   10.596  8648.03  1237.57  6407.63  2997.51  9108.40  1358.78  118.486   30.853  148.508   11.354 -30.02236 32.87614 
1 1 1   12   16   17 o  186.604   10.654 14372.68  1607.58 18510.62  3488.01 13256.66  1811.44  207.246   21.019  178.610   12.571 28.63605 24.49088 
1 1 1   12   16   18 o  157.303   7.7125 10134.96  985.083  9130.57  1336.86 11328.20  1457.13  148.189   11.193  165.236   10.922 -17.04642 15.63903 
1 1 1   12   16   19 o  104.657   8.0034  4524.74  674.956  4382.48  841.413  4781.48  1130.40  102.425   10.255  106.013   13.433 -3.588333 16.90044 
1 1 1   12   16   20 o   84.314   8.5879  2963.88  579.720  3712.35  708.061  1441.92  1009.68   94.235   9.3784   57.658   18.788 36.57718 20.99894 
1 1 1   12   16   21 o  131.054   9.0928  7174.19  961.597  7435.28  1230.93  6765.35  1540.31  132.298   11.575  123.930   15.656 8.368195 19.47079 
1 1 1   12   16   22 o   94.248   9.5379  3767.57  719.846  4394.61  876.642  2469.58  1261.28  101.257   10.830   71.049   20.639 30.20847 23.30779 
1 1 1   12   16   23 o  137.509   9.6584  8092.64  1071.55  7424.03  1360.44  9185.32  1739.17  128.885   13.186  141.186   15.422 -12.30106 20.29011 
1 1 1   12   16   24 o  115.640   12.132  6064.70  1122.21  6064.70  1122.21   0.0000   0.0000  115.640   12.132  ?   ?  0.000000 12.13244 
1 1 1   12   18    0 o  207.216   13.139 17542.67  2199.16   0.0000   0.0000 17542.67  2199.16  ?   ?   207.216   13.139 0.000000 13.13858 
1 1 1   12   18    1 f  352.444   15.486 50597.64  4431.68 52244.17  7736.47 49793.50  5406.63  355.946   26.969  348.806   19.163 7.140076 33.08383 
1 1 1   12   18    2 o  701.042   28.486 201911.50 16215.06 211022.09 28096.55 197361.59 19855.33  706.891   49.259  689.963   35.563 16.92883 60.75472 
1 1 1   12   18    3 o  502.333   26.196 103849.60 10647.78 114762.40 14955.04 92630.45 15163.58  525.323   35.265  470.030   40.116 55.29254 53.41284 
1 1 1   12   18    4 o  189.088   18.570 14742.24  2814.28 14742.24  2814.28   0.0000   0.0000  189.088   18.570  ?   ?  0.000000 18.56969 
1 1 1   12   18    5 o  744.592   36.872 230984.09 22292.37 231884.70 31620.34 230094.09 31432.83  734.215   53.406  731.450   53.292 2.765320 75.44666 
1 1 1   12   18    6 o  554.461   28.098 127133.70 12608.71 123616.00 17950.11 130560.00 17715.04  541.102   41.164  557.043   39.421 -15.94116 56.99572 
1 1 1   12   18    7 o  575.241   23.435 135960.70 10945.75 130617.90 19281.48 138501.30 13295.80  554.514   43.164  579.019   28.280 -24.50470 51.60361 
1 1 1   12   18    8 o  528.046   22.456 114564.20  9628.04 108309.40 17001.71 117517.00 11681.68  504.538   41.880  532.715   27.096 -28.17767 49.88098 
1 1 1   12   18    9 o  158.631   8.6554 10266.53  1110.62 10017.26  2297.65 10342.53  1268.68  155.297   18.591  159.102   9.8693 -3.804749 21.04828 
1 1 1   12   18   10 o  467.441   24.152 90458.95  9135.63 89540.95 13107.91 91326.06 12739.44  460.027   35.363  465.343   33.951 -5.315796 49.02231 
1 1 1   12   18   11 f  185.598   12.855 14127.72  1925.35 15334.83  2954.58 13236.79  2538.30  192.258   19.183  178.786   17.718 13.47128 26.11365 
1 1 1   12   18   12 o  332.606   17.931 45587.86  4824.53 49121.39  7063.01 42497.03  6605.75  342.732   25.564  318.587   25.756 24.14465 36.28948 
1 1 1   12   18   13 o  155.904   9.8408  9950.51  1239.34  7338.82  2647.67 10683.30  1402.47  130.328   25.932  161.437   10.761 -31.10849 28.07622 
1 1 1   12   18   14 o  177.650   10.282 12936.98  1476.85 12893.76  3274.22 12948.02  1654.74  173.802   23.829  177.504   11.544 -3.701538 26.47765 
1 1 1   12   18   15 o  229.991   11.652 21776.98  2168.93 26246.10  4612.58 20508.32  2457.57  247.708   23.204  222.593   13.663 25.11458 26.92769 
1 1 1   12   18   16 o  330.512   14.700 45434.41  3945.09 51968.80  7522.04 42954.98  4633.50  342.844   27.246  319.049   17.959 23.79489 32.63203 
1 1 1   12   18   17 o  227.853   11.925 21555.03  2198.58 25404.89  4697.38 20475.08  2487.91  239.278   24.524  221.167   13.925 18.11037 28.20182 
1 1 1   12   18   18 o   64.040   16.101  1805.09  836.329 -84.9312  3001.14  1964.22  870.825   65.002   28.770   66.775   16.222 -1.773102 33.02799 
1 1 1   12   18   19 o   52.423   17.196  1160.01  845.239 -1548.6720  3250.13  1356.49  875.359   59.884   27.812   55.875   17.415 4.009583 32.81495 
1 1 1   12   18   20 o   50.658   17.992  1034.78  929.122 -3339.2241  3630.02  1341.43  961.139   56.242   27.055   55.536   18.342 0.7051659 32.68641 
1 1 1   12   18   21 o  105.599   15.251  4966.07  1269.79   0.0000   0.0000  4966.07  1269.79  ?   ?   105.599   15.251 0.000000 15.25119 
1 1 1   12   18   22 o   69.596   21.224  2461.68  1308.33   0.0000   0.0000  2461.68  1308.33  ?   ?    69.596   21.224 0.000000 21.22379 
1 1 1   12   18   23 o   77.759   20.607  3231.73  1322.04   0.0000   0.0000  3231.73  1322.04  ?   ?    77.759   20.607 0.000000 20.60740 
1 1 1   12   20    0 f  368.466   19.919 55713.65  5937.19   0.0000   0.0000 55713.65  5937.19  ?   ?   368.466   19.919 0.000000 19.91871 
1 1 1   12   20    1 o  263.272   15.796 28380.10  3361.14   0.0000   0.0000 28380.10  3361.14  ?   ?   263.272   15.796 0.000000 15.79637 
1 1 1   12   20    2 o  188.801   11.076 14557.13  1690.44 15156.38  2974.62 14271.29  2054.43  191.528   19.395  186.643   13.651 4.884964 23.71738 
1 1 1   12   20    3 o  244.234   12.646 24362.11  2499.19 26662.74  4364.37 23239.63  3048.50  254.199   21.343  238.113   15.858 16.08540 26.58935 
1 1 1   12   20    4 o  272.857   15.870 30491.11  3500.74 30776.66  5062.96 30229.53  4845.77  272.830   23.071  270.547   22.256 2.283051 32.05626 
1 1 1   12   20    5 o  438.170   22.655 79054.23  8032.58 82513.91 11484.89 75741.27 11238.69  444.622   32.027  425.617   32.773 19.00540 45.82327 
1 1 1   12   20    6 o   72.412   13.390  2205.58  758.271  2011.95  1278.33  2310.69  941.864   69.697   20.918   73.791   16.167 -4.094307 26.43701 
1 1 1   12   20    7 o  212.064   13.997 18429.02  2396.51 18132.25  3559.58 18675.06  3241.13  209.071   21.264  212.664   18.969 -3.593033 28.49567 
1 1 1   12   20    8 o  449.286   23.680 83470.88  8607.99 80190.67 12372.97 86547.80 11983.44  435.546   35.290  453.809   32.741 -18.26285 48.13915 
1 1 1   12   20    9 o   95.983   12.329  3818.92  938.653  4355.03  1547.49  3506.86  1180.64  101.311   19.520   91.171   16.558 10.13898 25.59711 
1 1 1   12   20   10 o  400.980   17.101 65941.23  5567.94 62633.02 10099.94 67385.60  6673.65  384.466   32.663  403.992   20.411 -19.52567 38.51578 
1 1 1   12   20   11 o  539.201   22.586 120414.00  9888.55 113643.20 17602.12 123536.30 11953.02  509.414   42.956  543.807   27.070 -34.39362 50.77449 
1 1 1   12   20   12 o  251.856   11.911 25925.77  2435.85 26791.25  4705.36 25608.92  2847.02  252.698   23.191  249.590   14.106 3.107712 27.14445 
1 1 1   12   20   13 o  166.710   10.204 11397.76  1374.54 12914.12  3160.13 11043.93  1526.51  174.198   22.897  163.860   11.547 10.33806 25.64374 
1 1 1   12   20   14 o  316.914   14.197 41475.02  3653.12 47833.66  7161.11 39238.16  4247.34  332.380   26.761  306.633   17.128 25.74707 31.77277 
1 1 1   12   20   15 o  352.940   15.598 51944.31  4470.04 57118.23  8528.79 49984.81  5248.68  357.078   29.685  343.661   18.882 13.41650 35.18164 
1 1 1   12   20   16 o  135.738   10.663  7641.55  1165.79 10981.16  3538.31  7234.88  1234.73  153.754   29.414  131.782   11.660 21.97256 31.64040 
1 1 1   12   20   17 o  104.906   12.642  4647.85  1055.13  1553.45  3005.68  5082.78  1126.85   74.525   30.722  109.682   12.899 -35.15714 33.32014 
1 1 1   12   20   18 o   72.726   16.165  2341.27  929.840  4889.61  3561.97  2154.92  963.240   98.230   35.192   69.483   17.172 28.74664 39.15764 
1 1 1   12   20   19 o  138.380   12.354  8130.49  1373.55 11348.28  3965.23  7691.74  1464.20  145.116   34.210  133.923   13.656 11.19304 36.83533 
1 1 1   12   20   20 o  152.432   13.074 10010.52  1602.51 10831.46  4570.34  9895.45  1711.15  128.758   39.738  150.823   14.138 -22.06468 42.17803 
1 1 1   12   20   21 f  123.051   16.259  6908.51  1584.73   0.0000   0.0000  6908.51  1584.73  ?   ?   123.051   16.259 0.000000 16.25930 
1 1 1   12   20   22 o   45.552   18.814  669.546  1130.06   0.0000   0.0000  669.546  1130.06  ?   ?    45.552   18.814 0.000000 18.81395 
1 1 1   12   22    0 o  534.463   27.695 118384.80 11977.46   0.0000   0.0000 118384.80 11977.46  ?   ?   534.463   27.695 0.000000 27.69496 
1 1 1   12   22    1 o  429.845   22.900 76158.70  7963.91   0.0000   0.0000 76158.70  7963.91  ?   ?   429.845   22.900 0.000000 22.90048 
1 1 1   12   22    2 o  384.075   17.152 60315.27  5348.93 60158.52  9351.73 60391.49  6520.91  379.506   30.609  383.074   21.045 -3.567322 37.14561 
1 1 1   12   22    3 o  393.823   21.416 63867.27  6822.56 61762.84  9805.86 65841.88  9498.58  384.044   31.730  397.354   29.654 -13.31009 43.43002 
1 1 1   12   22    4 o  249.149   15.665 25459.86  3152.88 24898.64  4622.58 25948.06  4311.36  244.816   23.545  250.448   21.407 -5.632187 31.82152 
1 1 1   12   22    5 o  269.721   16.369 29857.87  3567.93 28063.19  5211.56 31441.10  4894.93  259.563   25.038  275.617   22.057 -16.05408 33.36851 
1 1 1   12   22    6 f  154.021   13.252  9750.56  1641.18 10510.81  2523.62  9193.39  2160.44  158.771   20.021  148.676   18.281 10.09438 27.11159 
1 1 1   12   22    7 o  375.839   20.730 58288.20  6301.71 56028.96  9122.72 60350.08  8715.16  364.807   31.095  379.777   28.470 -14.96960 42.15923 
1 1 1   12   22    8 o  161.780   9.0240 10688.22  1180.67 11243.48  2702.65 10557.26  1312.54  163.969   20.765  160.663   10.113 3.305466 23.09681 
1 1 1   12   22    9 o  154.515   10.551  9778.14  1315.86  4979.00  2853.63 11074.15  1482.93  107.509   30.990  164.398   11.176 -56.88901 32.94375 
1 1 1   12   22   10 o  511.380   19.177 107843.10  7962.78 126606.50 14414.63 99602.75  9552.59  545.219   32.712  489.286   24.045 55.93341 40.59827 
1 1 1   12   22   11 o  255.811   11.613 26753.28  2412.08 31578.48  4859.71 25175.99  2778.48  274.659   21.975  247.408   13.887 27.25125 25.99531 
1 1 1   12   22   12 o   81.435   10.319  2754.05  667.002  1404.20  2252.56  2883.78  698.318   70.218   27.381   83.317   10.559 -13.09975 29.34624 
1 1 1   12   22   13 f  157.091   10.646 10165.72  1349.93  5136.27  3356.00 11136.55  1474.47  106.833   34.204  164.350   11.114 -57.51693 35.96405 
1 1 1   12   22   14 o  184.183   10.408 13985.25  1550.10 20491.08  3731.70 12628.60  1704.08  218.186   21.337  174.519   12.100 43.66684 24.52942 
1 1 1   12   22   15 o  163.007   11.212 11024.00  1474.91  8602.56  4065.35 11391.03  1582.74  131.309   36.704  165.503   11.856 -34.19482 38.57178 
1 1 1   12   22   16 f  157.250   11.643 10317.91  1476.00  6838.25  4268.76 10790.41  1573.03  114.753   38.672  160.639   12.150 -45.88602 40.53609 
1 1 1   12   22   17 o   36.898   15.085  248.786  717.220 -588.4339  3593.07  283.530  731.951   67.074   30.434   37.646   15.298 29.42838 34.06264 
1 1 1   12   22   18 o   47.823   16.916  903.374  820.552  955.740  3335.20  900.000  846.573   70.669   30.833   48.028   17.162 22.64138 35.28706 
1 1 1   12   22   19 o  106.043   14.513  4930.56  1216.83 10600.58  4892.61  4556.71  1256.30  125.472   41.382  101.207   15.804 24.26524 44.29689 
1 1 1   12   22   20 o   73.289   18.850  2574.59  1128.07   0.0000   0.0000  2574.59  1128.07  ?   ?    73.289   18.850 0.000000 18.84969 
1 1 1   12   22   21 o   49.089   19.777  900.296  1212.07   0.0000   0.0000  900.296  1212.07  ?   ?    49.089   19.777 0.000000 19.77746 
1 1 1   12   22   22 o   64.044   24.050  2480.46  1694.77   0.0000   0.0000  2480.46  1694.77  ?   ?    64.044   24.050 0.000000 24.04996 
1 1 1   12   24    0 o  357.462   29.210 53494.55  8404.00   0.0000   0.0000 53494.55  8404.00  ?   ?   357.462   29.210 0.000000 29.20990 
1 1 1   12   24    1 o  402.178   31.681 67977.98 10261.88   0.0000   0.0000 67977.98 10261.88  ?   ?   402.178   31.681 0.000000 31.68113 
1 1 1   12   24    2 o  634.823   33.190 169393.91 17048.61 163035.59 24335.19 175522.50 23891.67  610.204   49.544  635.893   46.597 -25.68927 68.01370 
1 1 1   12   24    3 o   65.911   16.542  1847.70  883.920  3752.91  1457.57  739.487  1111.66   93.866   19.750   50.868   19.391 42.99770 27.67798 
1 1 1   12   24    4 o  392.631   21.760 63715.02  6909.93 63245.04 10011.11 64142.66  9549.47  387.177   32.135  390.725   30.338 -3.547607 44.19337 
1 1 1   12   24    5 o  334.268   16.087 45755.77  4366.37 45375.48  7523.68 45948.90  5361.67  328.754   28.466  333.650   19.881 -4.896149 34.72157 
1 1 1   12   24    6 f   65.076   17.856  1793.38  972.006 -536.6101  1608.00  3134.97  1220.17   47.364   21.006   85.799   18.085 -38.43523 27.71865 
1 1 1   12   24    7 o  213.734   15.150 18800.89  2612.15 18740.37  3985.27 18846.49  3458.72  211.370   23.625  212.871   20.255 -1.501144 31.11897 
1 1 1   12   24    8 o   19.040   8.5680 -141.4930  277.946  4132.34  1284.00 -351.6066  284.697   99.023   16.554   16.580   7.8644 82.44347 18.32689 
1 1 1   12   24    9 o  400.173   19.730 66264.05  6410.73 52237.94 11884.13 72020.63  7613.45  340.809   43.971  415.379   22.659 -74.56906 49.46600 
1 1 1   12   24   10 o  166.664   9.9877 11385.14  1345.36 11965.53  3115.62 11252.12  1491.58  167.407   23.574  165.487   11.166 1.920013 26.08449 
1 1 1   12   24   11 o  102.264   9.8495  4316.58  807.741  3737.69  2974.12  4362.67  839.287   94.493   32.278  102.753   10.194 -8.260399 33.84908 
1 1 1   12   24   12 o  112.674   9.7936  5241.19  887.080  6569.13  3164.11  5127.90  924.142  119.139   32.020  111.335   10.341 7.804565 33.64887 
1 1 1   12   24   13 o  132.941   10.005  7301.37  1072.09 17662.25  3442.97  6188.92  1128.17  202.181   21.293  121.975   11.528 80.20577 24.21311 
1 1 1   12   24   14 f  239.136   13.178 23862.20  2548.83 25677.39  5897.41 23445.25  2826.45  233.775   31.902  236.195   14.813 -2.419907 35.17286 
1 1 1   12   24   15 o  171.859   11.655 12321.05  1616.79 13632.61  4714.40 12146.23  1721.17  163.591   36.427  170.275   12.537 -6.683533 38.52438 
1 1 1   12   24   16 o   55.251   17.635  1309.34  892.621 -5439.9541  3234.43  1865.76  928.687   48.301   23.738   64.701   17.330 -16.40020 29.39091 
1 1 1   12   24   17 o  130.371   12.400  7217.45  1296.80 10214.50  4198.54  6901.38  1363.46  134.367   37.209  126.986   13.427 7.381767 39.55785 
1 1 1   12   24   18 o   31.595   13.962 -142.9887  704.164 -3399.3379  3740.89 -23.3708  716.981   56.229   27.153   33.177   14.387 23.05211 30.72864 
1 1 1   12   24   19 o   81.914   16.603  3093.94  1066.50   0.0000   0.0000  3093.94  1066.50  ?   ?    81.914   16.603 0.000000 16.60331 
1 1 1   12   24   20 o  104.853   15.960  5107.62  1315.88   0.0000   0.0000  5107.62  1315.88  ?   ?   104.853   15.960 0.000000 15.95953 
1 1 1   12   24   21 o   56.323   22.296  1632.62  1513.28   0.0000   0.0000  1632.62  1513.28  ?   ?    56.323   22.296 0.000000 22.29576 
1 1 1   12   26    0 o  136.530   16.421  7748.67  1783.87   0.0000   0.0000  7748.67  1783.87  ?   ?   136.530   16.421 0.000000 16.42087 
1 1 1   12   26    1 o  352.215   20.842 51335.43  5933.94   0.0000   0.0000 51335.43  5933.94  ?   ?   352.215   20.842 0.000000 20.84175 
1 1 1   12   26    2 o  375.059   21.636 58285.66  6561.06   0.0000   0.0000 58285.66  6561.06  ?   ?   375.059   21.636 0.000000 21.63631 
1 1 1   12   26    3 o  294.972   15.685 35753.57  3743.24 34290.09  6639.21 36435.57  4532.28  284.709   29.130  296.983   18.893 -12.27438 34.72035 
1 1 1   12   26    4 o  237.834   14.546 23242.21  2795.55 22883.08  4982.31 23407.22  3377.28  232.685   26.865  238.026   17.599 -5.340195 32.11598 
1 1 1   12   26    5 o  429.451   19.948 76138.21  6955.87 69408.32 12117.88 79445.39  8494.75  400.114   37.746  436.422   24.065 -36.30759 44.76452 
1 1 1   12   26    6 o  315.612   19.119 41268.42  4876.36 44003.63  7308.17 39073.37  6546.89  322.230   28.216  304.153   26.783 18.07706 38.90363 
1 1 1   12   26    7 o  172.745   15.284 12355.61  2121.60 12992.49  3321.54 11916.70  2757.38  174.777   24.042  168.289   20.610 6.488190 31.66674 
1 1 1   12   26    8 o  200.186   16.003 16628.60  2579.46 16414.61  4049.43 16774.72  3346.18  195.453   26.173  199.556   20.965 -4.103241 33.53434 
1 1 1   12   26    9 o  322.161   12.244 42619.05  3202.96 62094.81  6819.36 37106.51  3628.04  383.499   21.992  299.788   14.905 83.71173 26.56654 
1 1 1   12   26   10 o  201.025   11.142 16646.18  1811.61 20267.71  4757.20 16031.91  1959.23  214.289   28.011  196.955   12.313 17.33406 30.59809 
1 1 1   12   26   11 o   65.645   10.168  1810.00  524.445 -4189.3389  3142.29  1981.90  531.906   52.046   25.070   68.833   9.7932 -16.78632 26.91533 
1 1 1   12   26   12 o  173.073   10.208 12368.85  1428.22 18940.03  4040.86 11430.76  1526.77  206.847   24.538  166.011   11.396 40.83574 27.05500 
1 1 1   12   26   13 o  291.594   13.526 35490.55  3202.41 42664.74  7032.54 33613.72  3596.99  304.511   28.784  282.009   15.772 22.50156 32.82180 
1 1 1   12   26   14 o  163.291   11.532 11134.56  1519.12  7775.10  4375.35 11595.05  1619.89  120.295   39.107  166.431   12.069 -46.13571 40.92697 
1 1 1   12   26   15 o  106.230   12.649  4795.51  1069.55 -201.9926  4329.50  5120.32  1103.77   73.589   33.397  109.829   12.606 -36.23931 35.69697 
1 1 1   12   26   16 o  162.311   12.509 11176.48  1635.92  8775.88  5553.12 11404.62  1711.89  115.861   43.529  163.698   12.986 -47.83720 45.42473 
1 1 1   12   26   17 o  120.689   13.439  6305.88  1294.58 15809.14  5735.63  5795.75  1328.87  151.880   43.981  115.050   14.550 36.82938 46.32508 
1 1 1   12   26   18 o  102.320   16.834  4799.52  1349.94   0.0000   0.0000  4799.52  1349.94  ?   ?   102.320   16.834 0.000000 16.83415 
1 1 1   12   26   19 o   56.731   18.379  1552.23  966.839   0.0000   0.0000  1552.23  966.839  ?   ?    56.731   18.379 0.000000 18.37907 
1 1 1   12   26   20 o   52.108   21.167  1220.29  1400.80   0.0000   0.0000  1220.29  1400.80  ?   ?    52.108   21.167 0.000000 21.16723 
1 1 1   12   28    0 f   47.104   18.743  485.248  1074.63   0.0000   0.0000  485.248  1074.63  ?   ?    47.104   18.743 0.000000 18.74345 
1 1 1   12   28    1 o  108.449   20.145  5017.34  1708.59   0.0000   0.0000  5017.34  1708.59  ?   ?   108.449   20.145 0.000000 20.14475 
1 1 1   12   28    2 o  310.267   19.940 40019.52  4996.69   0.0000   0.0000 40019.52  4996.69  ?   ?   310.267   19.940 0.000000 19.93954 
1 1 1   12   28    3 o  161.431   14.715 10786.84  1907.57 12782.16  3591.22 10002.59  2251.45  172.488   26.488  154.579   18.293 17.90906 32.19109 
1 1 1   12   28    4 o  270.877   15.951 30322.30  3492.92 30611.29  6276.50 30192.65  4204.08  266.665   29.481  269.183   19.364 -2.518799 35.27155 
1 1 1   12   28    5 o  102.686   17.629  4481.22  1416.93  3152.75  2473.26  5130.27  1728.76   87.684   29.437  109.385   20.209 -21.70050 35.70612 
1 1 1   12   28    6 o  260.723   16.347 28238.54  3443.03 26387.80  6241.30 29048.13  4127.97  244.225   32.264  263.221   19.452 -18.99597 37.67382 
1 1 1   12   28    7 f  186.760   17.867 14663.95  2676.41 17755.00  4834.00 13297.55  3213.97  199.480   30.840  175.768   23.078 23.71292 38.51819 
1 1 1   12   28    8 o  377.680   22.154 60886.79  6764.22 71131.81 10283.71 53074.14  8980.33  397.956   32.099  342.938   32.645 55.01785 45.78205 
1 1 1   12   28    9 o  343.738   14.589 49131.38  4071.71 63980.74  8677.01 44938.27  4610.89  379.194   28.388  326.672   17.447 52.52179 33.32050 
1 1 1   12   28   10 o  120.229   9.9329  5982.36  960.990  8083.38  4032.43  5855.85  989.500  127.939   36.827  118.844   10.358 9.094826 38.25630 
1 1 1   12   28   11 o  111.203   9.6014  5124.94  858.440 -1245.7490  4196.64  5403.14  876.984   71.389   32.584  114.216   9.5439 -42.82691 33.95303 
1 1 1   12   28   12 o  143.806   10.999  8614.19  1274.60 -3503.5200  4892.88  9496.38  1320.19   68.956   32.678  151.084   10.834 -82.12832 34.42654 
1 1 1   12   28   13 o   82.142   12.093  2871.57  782.431  5006.70  3750.66  2774.42  800.033   99.744   36.065   80.544   12.650 19.19930 38.21907 
1 1 1   12   28   14 o  115.036   12.011  5601.76  1105.34  9243.53  5116.68  5423.49  1132.07  123.212   42.331  112.960   12.555 10.25200 44.15320 
1 1 1   12   28   15 o   82.963   14.482  3022.36  940.048 -5717.9932  5241.84  3312.80  955.539   62.758   30.714   87.157   13.974 -24.39898 33.74374 
1 1 1   12   28   16 o  403.290   10.909 68587.71  3572.38 120798.30  7741.94 54463.81  4026.69  517.647   18.420  355.175   13.963 162.4720 23.11349 
1 1 1   12   28   17 o   29.745   13.893 -647.4219  829.370   0.0000   0.0000 -647.4219  829.370  ?   ?    29.745   13.893 0.000000 13.89270 
1 1 1   12   28   18 f   51.797   19.664  1173.58  1140.24   0.0000   0.0000  1173.58  1140.24  ?   ?    51.797   19.664 0.000000 19.66426 
1 1 1   12   28   19 o   77.859   23.267  3524.58  1584.06   0.0000   0.0000  3524.58  1584.06  ?   ?    77.859   23.267 0.000000 23.26664 
1 1 1   12   30    0 o  178.273   18.688 13392.50  2664.84   0.0000   0.0000 13392.50  2664.84  ?   ?   178.273   18.688 0.000000 18.68759 
1 1 1   12   30    1 o  251.150   19.758 26560.40  3996.61   0.0000   0.0000 26560.40  3996.61  ?   ?   251.150   19.758 0.000000 19.75785 
1 1 1   12   30    2 o  154.832   19.290 10173.82  2372.58   0.0000   0.0000 10173.82  2372.58  ?   ?   154.832   19.290 0.000000 19.29048 
1 1 1   12   30    3 o  254.156   19.908 27289.10  4075.40   0.0000   0.0000 27289.10  4075.40  ?   ?   254.156   19.908 0.000000 19.90756 
1 1 1   12   30    4 o  199.364   16.347 16647.21  2622.93 16315.25  5437.40 16747.89  2994.35  186.238   37.258  199.019   18.751 -12.78102 41.71052 
1 1 1   12   30    5 o  336.405   18.483 47693.69  5029.18 56075.03  9317.86 44248.45  5974.07  351.301   33.055  320.718   23.095 30.58215 40.32401 
1 1 1   12   30    6 o  185.128   17.138 14485.99  2546.86 19527.97  5202.42 12896.74  2920.80  205.984   32.156  172.765   21.271 33.21895 38.55432 
1 1 1   12   30    7 o   87.945   22.171  3454.27  1582.79  5196.12  3372.96  2962.40  1792.40  105.331   34.341   81.686   24.826 23.64515 42.37498 
1 1 1   12   30    8 f  207.749   19.402 18556.28  3234.99 24621.79  6160.88 16247.31  3801.17  227.155   34.486  190.763   25.154 36.39249 42.68541 
1 1 1   12   30    9 o  107.298   9.8886  4781.59  851.821  4683.33  4653.80  4785.00  866.459  102.068   39.479  107.294   10.063 -5.225594 40.74177 
1 1 1   12   30   10 o   86.232   9.8293  3105.82  675.923  176.985  4599.66  3170.46  683.341   78.782   35.197   87.135   9.8303 -8.352211 36.54392 
1 1 1   12   30   11 o  263.296   12.289 28954.74  2627.27 37481.51  7407.03 27727.59  2809.97  274.429   33.967  256.576   13.536 17.85294 36.56436 
1 1 1   12   30   12 o   28.739   11.991   87.412  465.721  2093.09  4828.08   68.575  467.903   85.159   37.127   28.506   11.965 56.65265 39.00771 
1 1 1   12   30   13 o   53.870   15.370  1282.63  705.341  1922.86  4572.03  1267.02  713.887   81.433   35.799   53.579   15.517 27.85397 39.01683 
1 1 1   12   30   14 o  121.196   12.143  6275.27  1178.90  9146.36  6507.34  6177.85  1198.73  110.191   45.289  120.078   12.477 -9.887474 46.97581 
1 1 1   12   30   15 o  147.092   13.025  9370.89  1539.59   0.0000   0.0000  9370.89  1539.59  ?   ?   147.092   13.025 0.000000 13.02540 
1 1 1   12   30   16 o   85.243   17.606  3435.20  1178.21   0.0000   0.0000  3435.20  1178.21  ?   ?    85.243   17.606 0.000000 17.60559 
1 1 1   12   30   17 o   97.754   15.321  4445.54  1176.10   0.0000   0.0000  4445.54  1176.10  ?   ?    97.754   15.321 0.000000 15.32085 
1 1 1   12   30   18 o   36.670   16.865 -312.7256  1153.32   0.0000   0.0000 -312.7256  1153.32  ?   ?    36.670   16.865 0.000000 16.86502 
1 1 1   12   32    0 o  121.271   23.051  6535.35  2186.82   0.0000   0.0000  6535.35  2186.82  ?   ?   121.271   23.051 0.000000 23.05101 
1 1 1   12   32    1 o  255.415   21.308 28140.79  4378.76   0.0000   0.0000 28140.79  4378.76  ?   ?   255.415   21.308 0.000000 21.30831 
1 1 1   12   32    2 o  210.736   20.594 19147.76  3478.79   0.0000   0.0000 19147.76  3478.79  ?   ?   210.736   20.594 0.000000 20.59391 
1 1 1   12   32    3 o  128.163   22.742  7288.04  2279.99   0.0000   0.0000  7288.04  2279.99  ?   ?   128.163   22.742 0.000000 22.74243 
1 1 1   12   32    4 o  157.533   21.886 10893.99  2723.83   0.0000   0.0000 10893.99  2723.83  ?   ?   157.533   21.886 0.000000 21.88586 
1 1 1   12   32    5 o   36.079   16.830 -1044.8220  1211.36 -1933.7321  3914.49 -950.6834  1273.89   66.588   30.784   37.849   17.520 28.73893 35.42014 
1 1 1   12   32    6 o  130.203   20.843  7486.43  2129.25 10900.09  5264.68  6818.85  2328.16  142.001   42.412  122.460   24.272 19.54037 48.86653 
1 1 1   12   32    7 o  232.067   19.077 23313.03  3562.95 26143.02  7335.59 22439.28  4076.04  221.725   42.289  224.868   22.631 -3.142776 47.96393 
1 1 1   12   32    8 o  207.548   20.373 18937.01  3389.05 25201.66  7125.52 17105.54  3852.72  215.674   42.201  193.463   25.119 22.21132 49.11060 
1 1 1   12   32    9 o  210.612   11.720 18552.26  1996.36 30877.18  7316.61 17560.87  2075.10  241.769   38.567  204.447   12.561 37.32185 40.56087 
1 1 1   12   32   10 o   73.202   10.334  2267.28  597.132 -18.1015  4880.63  2302.01  601.652   77.145   35.183   73.772   10.327 3.372955 36.66769 
1 1 1   12   32   11 o  110.487   10.842  5145.68  960.138 -1214.0081  6488.05  5288.08  970.828   80.012   37.832  112.033   10.806 -32.02036 39.34470 
1 1 1   12   32   12 o  150.328   11.550  9573.94  1399.05  9358.02  6404.05  9584.76  1433.68  112.390   45.397  150.251   11.848 -37.86069 46.91802 
1 1 1   12   32   13 o   42.944   15.414  723.129  683.639  193.382  5624.89  731.071  688.745   75.366   35.509   43.135   15.472 32.23125 38.73371 
1 1 1   12   32   14 o  112.773   12.572  5544.27  1131.58   0.0000   0.0000  5544.27  1131.58  ?   ?   112.773   12.572 0.000000 12.57181 
1 1 1   12   32   15 o   57.136   16.427  1549.52  802.757   0.0000   0.0000  1549.52  802.757  ?   ?    57.136   16.427 0.000000 16.42721 
1 1 1   12   32   16 o   56.467   18.012  1591.09  931.364   0.0000   0.0000  1591.09  931.364  ?   ?    56.467   18.012 0.000000 18.01222 
1 1 1   12   34    0 o   87.624   27.030  3572.26  2114.92   0.0000   0.0000  3572.26  2114.92  ?   ?    87.624   27.030 0.000000 27.03027 
1 1 1   12   34    1 o  117.902   26.621  6519.50  2488.18   0.0000   0.0000  6519.50  2488.18  ?   ?   117.902   26.621 0.000000 26.62097 
1 1 1   12   34    2 o  127.686   25.024  7517.22  2501.60   0.0000   0.0000  7517.22  2501.60  ?   ?   127.686   25.024 0.000000 25.02352 
1 1 1   12   34    3 o   99.592   27.876  4738.61  2343.30   0.0000   0.0000  4738.61  2343.30  ?   ?    99.592   27.876 0.000000 27.87632 
1 1 1   12   34    4 o   63.621   24.964  1337.63  1881.55   0.0000   0.0000  1337.63  1881.55  ?   ?    63.621   24.964 0.000000 24.96361 
1 1 1   12   34    5 o   52.845   23.308 -162.1487  1952.99 -1813.9290  5534.46   72.791  2087.26   76.844   35.890   55.963   24.405 20.88154 43.40135 
1 1 1   12   34    6 o   43.483   20.598 -1888.0601  1940.62 -4256.5400  5228.93 -1509.7159  2089.88   68.043   32.664   47.226   22.056 20.81691 39.41326 
1 1 1   12   34    7 o   90.644   29.569  4053.93  2500.63  8054.00  6306.22  3307.61  2723.94  114.068   45.400   84.029   30.681 30.03852 54.79495 
1 1 1   12   34    8 o  188.130   22.217 16212.84  3328.22 21453.37  7252.58 14814.82  3745.95  180.339   48.482  175.023   27.245 5.315964 55.61352 
1 1 1   12   34    9 o   49.323   21.951 -198.0263  1770.61  2820.69  5202.29 -593.5305  1883.04   86.377   38.072   48.397   21.988 37.97991 43.96500 
1 1 1   12   34   10 o   47.253   12.662  982.644  495.667  6264.41  7662.22  960.449  496.707   98.378   44.560   46.737   12.740 51.64084 46.34551 
1 1 1   12   34   11 o  161.768   12.323 11227.02  1606.47  9514.20  9211.56 11280.75  1631.47  100.956   46.866  162.035   12.497 -61.07816 48.50329 
1 1 1   12   34   12 o   96.741   11.518  4045.95  886.931   0.0000   0.0000  4045.95  886.931  ?   ?    96.741   11.518 0.000000 11.51760 
1 1 1   12   34   13 o   28.944   12.444   30.787  527.329   0.0000   0.0000   30.787  527.329  ?   ?    28.944   12.444 0.000000 12.44414 
1 1 1   12   34   14 o  122.722   13.212  6777.17  1295.78   0.0000   0.0000  6777.17  1295.78  ?   ?   122.722   13.212 0.000000 13.21206 
1 1 1   12   34   15 o   90.744   14.686  3899.76  1045.11   0.0000   0.0000  3899.76  1045.11  ?   ?    90.744   14.686 0.000000 14.68601 
1 1 1   12   36    0 f   94.510   31.346  4542.74  2805.80   0.0000   0.0000  4542.74  2805.80  ?   ?    94.510   31.346 0.000000 31.34565 
1 1 1   12   36    1 o   95.867   32.095  4720.99  2939.92   0.0000   0.0000  4720.99  2939.92  ?   ?    95.867   32.095 0.000000 32.09464 
1 1 1   12   36    2 o   79.782   31.314  2731.96  2961.36   0.0000   0.0000  2731.96  2961.36  ?   ?    79.782   31.314 0.000000 31.31386 
1 1 1   12   36    3 o   59.987   26.400  183.896  2492.57   0.0000   0.0000  183.896  2492.57  ?   ?    59.987   26.400 0.000000 26.40025 
1 1 1   12   36    4 o   85.768   30.057  3652.67  2585.96   0.0000   0.0000  3652.67  2585.96  ?   ?    85.768   30.057 0.000000 30.05742 
1 1 1   12   36    5 o  103.418   32.991  5821.28  3124.50   0.0000   0.0000  5821.28  3124.50  ?   ?   103.418   32.991 0.000000 32.99139 
1 1 1   12   36    6 o   91.592   32.177  4496.62  2964.39  1226.11  8305.54  4974.07  3173.40   88.798   42.224   95.143   33.299 -6.344162 53.77447 
1 1 1   12   36    7 o   52.294   24.213 -994.8772  2435.39   0.6366  6135.04 -1181.0940  2653.41   78.418   36.989   53.722   25.010 24.69641 44.65061 
1 1 1   12   36    8 o   65.573   28.040  1299.40  2651.47 -5136.6509  7007.24  2374.90  2864.45   70.175   34.576   73.420   30.097 -3.245499 45.83981 
1 1 1   12   36    9 o  119.798   31.192  8196.23  3063.85 21645.54  9706.00  6707.76  3228.94  127.228   54.005  104.561   33.558 22.66644 63.58168 
1 1 1   12   36   10 o   54.872   12.389  1347.25  538.903   0.0000   0.0000  1347.25  538.903  ?   ?    54.872   12.389 0.000000 12.38881 
1 1 1   12   36   11 o   97.654   11.854  4185.60  920.622   0.0000   0.0000  4185.60  920.622  ?   ?    97.654   11.854 0.000000 11.85354 
1 1 1   12   36   12 o   37.289   13.114  579.206  492.420   0.0000   0.0000  579.206  492.420  ?   ?    37.289   13.114 0.000000 13.11353 
1 1 1   12   36   13 o   41.931   15.665  748.833  717.166   0.0000   0.0000  748.833  717.166  ?   ?    41.931   15.665 0.000000 15.66463 
1 1 1   12   38    0 o   97.395   38.450  6065.86  4489.32   0.0000   0.0000  6065.86  4489.32  ?   ?    97.395   38.450 0.000000 38.45025 
1 1 1   12   38    1 o   93.255   38.596  5378.53  4770.16   0.0000   0.0000  5378.53  4770.16  ?   ?    93.255   38.596 0.000000 38.59621 
1 1 1   12   38    2 o   96.999   41.070  6435.85  5590.63   0.0000   0.0000  6435.85  5590.63  ?   ?    96.999   41.070 0.000000 41.06963 
1 1 1   12   38    3 o   99.334   43.491  7650.07  6687.89   0.0000   0.0000  7650.07  6687.89  ?   ?    99.334   43.491 0.000000 43.49139 
1 1 1   12   38    4 o   40.070   19.710 -3648.4480  2245.15   0.0000   0.0000 -3648.4480  2245.15  ?   ?    40.070   19.710 0.000000 19.70969 
1 1 1   12   38    5 o   81.518   32.652  3742.39  3282.67   0.0000   0.0000  3742.39  3282.67  ?   ?    81.518   32.652 0.000000 32.65163 
1 1 1   12   38    6 o   72.139   30.395  2466.84  3038.17   0.0000   0.0000  2466.84  3038.17  ?   ?    72.139   30.395 0.000000 30.39486 
1 1 1   12   38    7 o   60.598   27.184  753.887  2773.68   0.0000   0.0000  753.887  2773.68  ?   ?    60.598   27.184 0.000000 27.18373 
1 1 1   12   38    8 o   51.809   24.832 -1610.0990  2995.67   0.0000   0.0000 -1610.0990  2995.67  ?   ?    51.809   24.832 0.000000 24.83176 
1 1 1   12   38    9 f  105.633   38.218  9763.70  4212.75   0.0000   0.0000  9763.70  4212.75  ?   ?   105.633   38.218 0.000000 38.21779 
1 1 1   12   38   10 o   50.976   11.862  1187.80  481.738   0.0000   0.0000  1187.80  481.738  ?   ?    50.976   11.862 0.000000 11.86166 
1 1 1   12   40    0 o   67.112   29.967  1824.66  3329.67   0.0000   0.0000  1824.66  3329.67  ?   ?    67.112   29.967 0.000000 29.96717 
1 1 1   12   40    1 o   83.630   35.024  5144.37  3994.64   0.0000   0.0000  5144.37  3994.64  ?   ?    83.630   35.024 0.000000 35.02389 
1 1 1   12   40    2 o  112.937   39.878 10784.50  4558.00   0.0000   0.0000 10784.50  4558.00  ?   ?   112.937   39.878 0.000000 39.87793 
1 1 1   12   40    3 o   90.851   36.876  6949.00  4247.62   0.0000   0.0000  6949.00  4247.62  ?   ?    90.851   36.876 0.000000 36.87580 
1 1 1   12   40    4 o   94.347   36.554  7499.95  3994.75   0.0000   0.0000  7499.95  3994.75  ?   ?    94.347   36.554 0.000000 36.55370 
1 1 1   12   40    5 o   72.899   32.207  3665.20  3744.66   0.0000   0.0000  3665.20  3744.66  ?   ?    72.899   32.207 0.000000 32.20723 
1 1 1   12   40    6 o   69.172   35.292  680.461 11435.99   0.0000   0.0000  680.461 11435.99  ?   ?    69.172   35.292 0.000000 35.29225 
1 1 1   12   40    7 f   64.375   32.966 -2715.0659 10857.31   0.0000   0.0000 -2715.0659 10857.31  ?   ?    64.375   32.966 0.000000 32.96640 
1 1 1   12   42    0 o   45.487   22.794 -4439.4561  3602.05   0.0000   0.0000 -4439.4561  3602.05  ?   ?    45.487   22.794 0.000000 22.79368 
1 1 1   12   42    1 o   57.596   27.652  924.295  3749.46   0.0000   0.0000  924.295  3749.46  ?   ?    57.596   27.652 0.000000 27.65159 
1 1 1   13    1    0 o  384.069   19.398 60466.17  6029.82 57699.22  8524.92 63236.41  8529.99  373.114   28.351  391.056   27.030 -17.94223 39.17146 
1 1 1   13    1    4 o  755.703   25.537 233531.50 15669.83 236726.41 22164.59 230339.00 22156.37  758.167   36.005  747.723   36.494 10.44354 51.26524 
1 1 1   13    1    5 o  538.724   18.395 118161.00  8046.53 120406.70 11385.65 115920.10 11373.39  543.074   25.820  532.805   26.290 10.26837 36.84871 
1 1 1   13    1    6 o  413.140   14.210 69391.95  4766.67 70841.64  6747.43 67947.68  6734.78  417.153   19.921  408.522   20.303 8.631134 28.44408 
1 1 1   13    1    7 f  1075.91   36.199 473668.91 31623.59 484493.81 44728.16 462849.50 44716.86  1084.01   50.817  1059.14   51.997 24.87170 72.70517 
1 1 1   13    1    8 o  1148.87   44.797 541936.38 41788.25 498512.09 72379.05 563648.81 51180.06  1084.50   82.821  1168.72   53.933 -84.22034 98.83359 
1 1 1   13    1    9 o  1191.63   40.083 582383.62 38782.46 567627.38 54851.31 597134.69 54842.05  1170.09   57.734  1200.75   56.250 -30.66052 80.60553 
1 1 1   13    1   10 o  409.655   14.140 68254.52  4703.31 69217.23  6657.12 67295.05  6645.88  412.169   19.892  406.387   20.141 5.781586 28.30772 
1 1 1   13    1   11 f  409.382   14.207 68233.46  4722.42 65491.25  6681.96 70970.02  6675.07  399.917   20.648  416.963   19.716 -17.04599 28.54936 
1 1 1   13    1   12 o  612.955   29.983 155111.70 14922.48 151686.80 21111.81 158531.30 21095.34  599.170   43.696  613.169   42.636 -13.99976 61.05059 
1 1 1   13    1   13 o  457.539   15.900 85452.98  5907.10 82630.99  8355.60 88272.66  8352.20  448.012   23.047  463.837   22.177 -15.82523 31.98423 
1 1 1   13    1   14 o  380.533   13.468 59057.14  4161.37 59087.52  5885.28 59026.78  5884.84  379.275   19.173  379.077   19.182 0.1975403 27.12066 
1 1 1   13    1   15 o  549.815   19.018 124054.80  8490.23 124230.40 12007.68 123879.40 12006.31  547.229   27.024  546.440   27.060 0.7892456 38.24332 
1 1 1   13    1   16 o  215.265   8.8433 18865.48  1545.70 18212.38  2179.42 19526.47  2192.55  210.804   12.793  218.361   12.418 -7.556335 17.82870 
1 1 1   13    1   17 o  620.575   21.878 159725.59 11024.22 154291.20 15590.51 165160.20 15590.68  601.983   32.011  624.646   30.739 -22.66284 44.38034 
1 1 1   13    1   18 o  393.753   14.268 63783.74  4561.80 64648.04  6455.39 62921.60  6447.33  393.299   20.283  387.856   20.546 5.443176 28.87118 
1 1 1   13    1   19 o   92.058   8.9959  3500.17  663.835  3488.08  927.115  3512.89  950.947   91.094   12.895   91.348   13.204 -0.2541199 18.45586 
1 1 1   13    1   20 o  184.139   8.9527 13910.90  1338.56 14676.33  1878.62 13121.57  1907.74  187.861   12.385  177.243   13.354 10.61740 18.21337 
1 1 1   13    1   21 o   61.482   11.355  1614.76  545.979  2112.67  767.160  1103.72  777.201   69.840   14.016   51.336   16.462 18.50319 21.62055 
1 1 1   13    1   22 o   54.323   14.262  1295.48  637.074  1197.64  867.680  1409.91  938.385   53.175   17.421   56.993   18.069 -3.818714 25.09999 
1 1 1   13    1   23 o   92.751   10.550  3643.13  780.424  2937.12  1074.56  4431.22  1135.31   80.601   16.956  100.815   14.268 -20.21357 22.16049 
1 1 1   13    1   24 o   37.293   14.233  466.595  599.327  597.238  828.361  323.085  868.194   42.559   16.602   39.680   16.448 2.878468 23.36987 
1 1 1   13    1   25 o   71.889   15.330  2426.62  867.489  3162.10  1278.85  1799.75  1180.66   78.866   19.955   59.893   20.337 18.97272 28.49218 
1 1 1   13    3    3 o  633.547   21.178 163911.70 10894.48 170705.59 15418.33 157137.59 15395.92  644.788   29.450  618.341   30.665 26.44733 42.51609 
1 1 1   13    3    4 f  811.333   27.372 269270.50 18032.21 267343.31 25513.11 271194.09 25489.70  805.302   39.018  811.182   38.700 -5.879272 54.95529 
1 1 1   13    3    5 o  518.433   17.561 109384.20  7392.23 106340.20 10464.19 112416.60 10444.21  510.505   25.245  524.965   24.502 -14.45938 35.18023 
1 1 1   13    3    6 o  1274.02   43.091 667153.88 44576.01 670652.62 63051.47 663657.69 63028.54  1269.47   61.169  1262.68   61.476 6.792725 86.72385 
1 1 1   13    3    7 o  476.525   16.237 92332.24  6282.33 97300.71  8895.80 87388.80  8873.37  488.836   22.412  462.587   23.704 26.24881 32.62170 
1 1 1   13    3    8 o  933.329   36.399 356319.81 27584.05 302420.91 47781.69 383261.31 33781.75  848.701   69.961  966.530   43.046 -117.8291 82.14296 
1 1 1   13    3    9 o  512.225   17.408 106733.80  7240.25 105868.40 10251.29 107595.10 10227.27  509.620   24.774  513.781   24.516 -4.160736 34.85344 
1 1 1   13    3   10 o  503.869   17.149 103367.70  7016.09 107440.70  9934.06 99313.94  9910.49  513.017   23.848  492.500   24.863 20.51691 34.45165 
1 1 1   13    3   11 o  469.131   16.145 89695.84  6150.09 85195.51  8706.98 94176.70  8688.13  455.616   23.617  479.869   22.298 -24.25241 32.48009 
1 1 1   13    3   12 o  477.794   18.990 93320.92  7367.34 102667.60 12815.58 88707.34  9003.87  497.087   31.921  464.294   23.965 32.79218 39.91554 
1 1 1   13    3   13 o  316.335   11.484 40743.44  2949.76 39175.52  4179.07 42300.20  4164.16  309.248   16.705  321.892   15.932 -12.64432 23.08456 
1 1 1   13    3   14 o  413.889   14.532 69923.29  4883.79 68528.88  6917.45 71309.08  6896.04  408.040   20.949  416.887   20.372 -8.847473 29.22182 
1 1 1   13    3   15 o  120.971   6.9904  5969.84  683.704  6145.65  978.736  5802.28  955.491  122.452   9.9292  118.953   9.9850 3.499634 14.08158 
1 1 1   13    3   16 o  241.701   9.5785 23796.51  1879.81 23944.54  2663.77 23649.65  2653.17  241.663   13.631  240.160   13.662 1.502991 19.29921 
1 1 1   13    3   17 o  462.736   16.443 88020.63  6178.00 85848.90  8741.63 90187.76  8732.40  453.340   23.832  465.602   23.098 -12.26181 33.18867 
1 1 1   13    3   18 o  358.852   12.949 52876.06  3772.93 52649.02  5340.57 53102.27  5330.91  355.524   18.565  357.112   18.448 -1.587555 26.17196 
1 1 1   13    3   19 o   31.363   12.383  228.885  465.621  341.628  622.893   86.104  700.976   36.729   14.377   34.850   14.637 1.879257 20.51703 
1 1 1   13    3   20 o  123.397   8.4640  6269.69  842.919  6245.79  1173.28  6295.18  1211.78  122.314   11.967  122.699   12.330 -0.3852921 17.18258 
1 1 1   13    3   21 o  131.572   9.4018  7169.35  997.801  5961.18  1335.51  8695.85  1501.18  118.394   14.174  143.743   13.003 -25.34946 19.23489 
1 1 1   13    3   22 o   75.423   11.718  2429.55  694.328  2978.73  934.966  1754.28  1036.76   82.739   14.442   62.719   18.841 20.01994 23.73971 
1 1 1   13    3   23 o  114.562   10.325  5530.61  950.127  5301.04  1233.09  5866.08  1490.60  110.455   14.068  114.965   16.436 -4.509995 21.63484 
1 1 1   13    3   24 o   29.972   13.095 -52.5829  603.523 -276.8057  758.464  334.432  996.458   31.248   14.099   41.744   17.488 -10.49572 22.46347 
1 1 1   13    3   25 o   66.787   20.744  2317.10  1243.14   0.0000   0.0000  2317.10  1243.14  ?   ?    66.787   20.744 0.000000 20.74357 
1 1 1   13    5    0 o  842.271   41.147 295552.91 28140.52 303066.19 39814.32 288052.81 39779.12  840.159   58.733  817.777   60.334 22.38220 84.20026 
1 1 1   13    5    1 o  434.850   21.581 77297.88  7619.88 77818.91 10779.77 76777.55 10772.51  433.733   30.809  430.755   31.007 2.977570 43.71118 
1 1 1   13    5    2 o  390.275   15.788 62036.93  5003.00 62093.79  8730.10 62009.14  6104.92  388.161   27.885  389.879   19.285 -1.717560 33.90398 
1 1 1   13    5    3 o  391.578   13.701 62375.59  4356.31 61501.80  6155.67 63252.27  6165.83  387.930   19.606  393.934   19.277 -6.004913 27.49530 
1 1 1   13    5    4 o  167.789   7.2015 11434.80  981.130 12439.92  1390.61 10438.55  1384.47  174.697   9.8436  159.911   10.725 14.78610 14.55736 
1 1 1   13    5    5 o  740.279   25.046 223488.20 15054.78 229388.41 21300.16 217598.59 21281.20  748.378   35.053  728.724   35.966 19.65424 50.22224 
1 1 1   13    5    6 o  1438.96   56.553 857505.81 66075.95 856484.12 114498.00 858015.88 80908.12  1405.21  101.025  1432.17   69.576 -26.95813 122.6655 
1 1 1   13    5    7 o  261.136   11.063 27704.09  2345.74 29845.40  4049.53 26622.74  2877.70  270.234   18.568  255.558   13.921 14.67575 23.20692 
1 1 1   13    5    8 o  1101.17   36.565 496161.00 32693.64 518283.81 46247.72 474061.19 46223.86  1121.38   50.792  1071.72   53.118 49.65906 73.49429 
1 1 1   13    5    9 o  1071.42   36.012 470472.81 31328.69 476901.41 44316.76 464050.91 44294.17  1073.70   50.833  1058.87   51.519 14.83203 72.37520 
1 1 1   13    5   10 o  272.354   10.178 30149.22  2250.86 30264.41  3192.66 30035.39  3173.83  272.329   14.491  271.297   14.460 1.032257 20.47121 
1 1 1   13    5   11 o  732.107   28.733 220525.20 17080.18 210284.50 20923.47 240979.50 29570.71  711.213   36.354  754.726   48.511 -43.51355 60.62112 
1 1 1   13    5   12 o   96.110   7.3344  3775.93  568.039  4281.02  1043.13  3563.01  677.264  101.712   12.922   93.167   9.0677 8.545120 15.78641 
1 1 1   13    5   13 o  564.192   19.354 130329.30  8866.20 133403.41 12550.33 127266.60 12527.10  568.476   27.190  554.337   27.921 14.13953 38.97272 
1 1 1   13    5   14 o  361.899   12.863 53406.05  3779.83 52822.63  5355.01 53985.35  5336.01  358.625   18.452  363.078   18.100 -4.452393 25.84773 
1 1 1   13    5   15 o  132.996   7.1288  7213.05  767.020  7138.05  1078.99  7289.67  1090.56  131.998   10.145  133.400   10.144 -1.402191 14.34667 
1 1 1   13    5   16 o  260.243   9.9473 27598.56  2101.94 27235.77  2977.32 27959.06  2967.90  257.631   14.289  261.085   14.052 -3.453705 20.04047 
1 1 1   13    5   17 o  299.429   11.299 36627.55  2747.10 35741.42  3891.19 37508.05  3878.80  294.350   16.345  301.687   15.890 -7.337494 22.79638 
1 1 1   13    5   18 o   47.528   11.263  962.465  427.992  1920.45  562.320 -356.6783  659.857   67.714   10.573   28.988   13.108 38.72617 16.84073 
1 1 1   13    5   19 o  183.210   8.8261 13740.27  1312.97 13252.32  1840.82 14245.57  1873.25  178.695   12.771  185.378   12.518 -6.683716 17.88343 
1 1 1   13    5   20 o  257.578   10.472 27347.41  2190.21 26148.22  3104.20 28536.19  3090.69  249.260   15.413  260.870   14.651 -11.60986 21.26516 
1 1 1   13    5   21 o  228.350   9.9238 21540.40  1839.99 20573.72  2571.23 22554.99  2634.19  220.643   14.432  231.267   14.095 -10.62415 20.17290 
1 1 1   13    5   22 o  162.951   9.6490 11043.89  1270.98 10126.70  1726.31 12129.50  1878.14  154.019   13.956  168.731   13.830 -14.71240 19.64775 
1 1 1   13    5   23 o   71.780   17.747  2368.30  1028.54  1997.81  2969.46  2418.81  1096.41   72.661   30.293   72.243   18.585 0.4181137 35.53984 
1 1 1   13    5   24 o   58.559   21.204  1559.20  1297.17   0.0000   0.0000  1559.20  1297.17  ?   ?    58.559   21.204 0.000000 21.20394 
1 1 1   13    5   25 f   84.971   12.742  3251.47  851.997  3206.90  1033.93  3345.77  1503.88   82.092   16.087   78.401   22.468 3.690735 27.63300 
1 1 1   13    7    0 o  554.923   22.022 125723.90  9922.54 141114.70 17214.70 118066.50 12142.59  583.971   36.488  536.123   27.991 47.84851 45.98780 
1 1 1   13    7    1 o  731.794   35.521 220412.00 21106.24 218890.30 29860.19 221931.41 29837.29  722.320   51.245  727.531   50.828 -5.210754 72.17754 
1 1 1   13    7    2 o  344.427   17.585 48430.36  4901.42 50642.99  6943.92 46233.28  6919.46  351.334   24.495  335.444   25.598 15.88959 35.42944 
1 1 1   13    7    3 o  514.507   20.101 107832.80  8397.59 109994.90 14629.67 106770.30 10255.37  516.716   35.077  511.529   24.691 5.186279 42.89595 
1 1 1   13    7    4 o  688.964   27.611 193777.09 15445.92 170491.70 26820.75 205332.00 18893.54  639.762   52.084  708.398   32.847 -68.63617 61.57619 
1 1 1   13    7    5 o  367.372   13.505 54857.16  4028.43 54278.10  5696.12 55436.61  5697.98  364.697   19.304  368.599   19.104 -3.901611 27.15915 
1 1 1   13    7    6 o  803.573   31.340 263661.00 20448.49 266135.31 35353.63 262417.09 25066.98  800.909   54.691  800.501   38.566 0.4080811 66.92110 
1 1 1   13    7    7 o  873.319   28.365 311060.41 20113.63 329670.50 28450.29 292464.19 28439.66  897.229   39.052  844.618   41.469 52.61053 56.96286 
1 1 1   13    7    8 o  914.955   30.283 341879.81 22497.51 344911.19 31822.13 338850.50 31810.44  916.321   42.770  908.143   43.140 8.178406 60.74819 
1 1 1   13    7    9 f  302.858   10.992 37278.07  2702.96 41292.54  3835.85 33318.75  3809.42  318.609   14.827  285.659   16.494 32.95001 22.17887 
1 1 1   13    7   10 o  483.785   16.252 95355.49  6383.90 88046.38  9039.61 102627.80  9016.84  463.282   24.114  501.137   22.159 -37.85446 32.74947 
1 1 1   13    7   11 o  495.267   16.710 100087.10  6719.90 97201.26  9518.43 102954.80  9488.38  486.758   24.083  501.120   23.319 -14.36166 33.52284 
1 1 1   13    7   12 o  190.242   9.0870 14718.66  1403.67 16803.29  2528.91 13790.46  1687.47  202.352   15.510  183.708   11.369 18.64427 19.23017 
1 1 1   13    7   13 o  583.568   20.001 139582.91  9477.02 143323.59 13419.74 135861.30 13385.39  588.631   28.078  572.103   28.909 16.52832 40.29977 
1 1 1   13    7   14 o  200.314   8.4219 16322.74  1369.81 16309.53  1945.95 16335.72  1928.57  199.664   12.060  199.840   11.940 -0.1758270 16.97062 
1 1 1   13    7   15 o  207.912   8.4835 17591.60  1432.17 17538.21  2035.20 17643.96  2015.73  206.983   12.163  207.631   12.008 -0.6473999 17.09175 
1 1 1   13    7   16 o   80.846   7.7300  2684.07  501.246  1591.24  688.969  3912.96  730.599   61.152   14.155   97.562   9.3368 -36.40963 16.95720 
1 1 1   13    7   17 o  214.816   9.0984 18817.98  1586.98 20453.68  2261.56 17231.21  2227.48  223.170   12.531  204.585   13.485 18.58473 18.40845 
1 1 1   13    7   18 o  257.424   10.187 27130.31  2129.26 30080.67  3047.29 24315.59  2976.42  269.727   13.962  242.009   15.225 27.71817 20.65715 
1 1 1   13    7   19 o  136.903   8.4479  7699.72  934.488  7719.42  1288.49  7677.85  1357.33  136.336   11.754  135.781   12.450 0.5554657 17.12213 
1 1 1   13    7   20 o  106.248   8.9282  4668.38  763.097  4639.56  1059.64  4699.44  1099.85  104.954   12.692  105.510   13.122 -0.5558701 18.25551 
1 1 1   13    7   21 o   92.424   13.740  3659.26  999.735  6396.01  2117.03  2873.79  1134.16  118.334   22.861   80.358   17.847 37.97525 29.00220 
1 1 1   13    7   22 o  165.857   15.516 11894.98  2065.29 13120.21  3585.19 11286.45  2526.65  163.992   27.925  158.359   20.103 5.632111 34.40870 
1 1 1   13    7   23 f   53.528   14.839  1283.50  667.385  1402.28  794.342  998.428  1230.61   55.754   16.431   52.511   20.304 3.242855 26.11990 
1 1 1   13    7   24 o   29.885   12.899   13.503  570.950  228.138  705.392 -394.2459  972.248   35.469   14.774   34.476   15.716 0.9929848 21.56986 
1 1 1   13    7   25 o   46.232   14.829  992.904  630.605  1110.20  683.456  321.295  1635.44   48.518   15.425   47.252   21.058 1.265884 26.10279 
1 1 1   13    9    0 o  435.651   21.660 77353.79  7661.93   0.0000   0.0000 77353.79  7661.93  ?   ?   435.651   21.660 0.000000 21.66015 
1 1 1   13    9    1 o  166.728   8.5923 11322.30  1159.25 11591.85  2001.52 11186.24  1422.05  168.179   14.808  165.576   10.634 2.602631 18.23063 
1 1 1   13    9    2 o  951.985   46.009 373790.50 35564.12 363098.19 50304.35 384475.19 50286.18  927.889   67.224  955.993   65.171 -28.10419 93.62863 
1 1 1   13    9    3 o  259.585   14.086 27474.74  2957.84 26087.62  4205.53 28832.56  4160.88  252.277   20.714  265.443   19.440 -13.16594 28.40749 
1 1 1   13    9    4 o  258.631   11.318 27178.16  2376.79 28530.88  4216.39 26548.11  2877.55  264.031   19.812  255.183   13.941 8.848083 24.22499 
1 1 1   13    9    5 o  705.148   33.647 203203.50 19265.07   0.0000   0.0000 203203.50 19265.07  ?   ?   705.148   33.647 0.000000 33.64747 
1 1 1   13    9    6 o  914.362   31.330 341327.91 23260.67 374038.19 32895.58 308617.91 32895.53  954.957   42.424  865.209   47.001 89.74744 63.31628 
1 1 1   13    9    7 o  665.157   22.271 180177.00 12028.17 190881.30 17014.94 169484.20 17005.88  683.687   30.650  643.162   32.671 40.52454 44.79807 
1 1 1   13    9    8 o  952.362   34.931 371788.09 27011.31 378202.19 33079.91 358954.91 46790.78  958.335   42.512  924.053   62.734 34.28168 75.78156 
1 1 1   13    9    9 o  518.059   17.872 109367.70  7517.69 109502.50 10637.00 109233.10 10626.24  517.409   25.319  516.771   25.325 0.6375122 35.81048 
1 1 1   13    9   10 o  432.973   17.614 76494.19  6192.31 74002.83  7587.71 81462.30 10714.90  424.692   22.080  443.746   29.913 -19.05392 37.17929 
1 1 1   13    9   11 o  379.104   13.323 58551.23  4100.97 55631.89  5807.18 61455.47  5792.15  368.301   19.488  387.783   18.396 -19.48181 26.79902 
1 1 1   13    9   12 o  561.416   22.321 129380.60 10175.04 135930.59 17758.91 126179.50 12414.84  568.036   38.735  552.108   27.782 15.92847 47.66807 
1 1 1   13    9   13 o  469.510   15.895 90076.73  6059.50 88264.38  8582.98 91877.66  8555.93  463.178   22.822  472.707   22.291 -9.529114 31.90212 
1 1 1   13    9   14 o  308.157   11.397 38703.62  2851.58 38087.80  4046.91 39310.89  4018.72  304.625   16.422  309.568   16.043 -4.942749 22.95783 
1 1 1   13    9   15 o  304.238   10.808 37734.69  2669.84 36231.28  3793.34 39210.51  3758.36  297.010   15.786  309.544   14.953 -12.53372 21.74401 
1 1 1   13    9   16 o  175.863   7.8603 12590.42  1122.41 12567.72  1595.21 12612.68  1579.57  175.095   11.280  175.429   11.147 -0.3339081 15.85884 
1 1 1   13    9   17 o  181.919   8.2232 13492.19  1214.67 13882.08  1750.96 13130.50  1686.45  183.755   11.798  178.712   11.686 5.042587 16.60599 
1 1 1   13    9   18 o  212.826   8.7031 18517.59  1503.96 20206.17  2142.68 16877.80  2111.50  221.324   11.968  201.941   12.946 19.38283 17.62982 
1 1 1   13    9   19 o   96.587   10.846  3888.81  835.877  4793.95  2299.98  3751.07  897.227  102.200   27.227   94.577   11.950 7.623199 29.73402 
1 1 1   13    9   20 o  359.396   20.246 55989.60  5884.05 59713.94  8725.33 52883.20  7968.67  357.541   30.341  337.801   29.344 19.73965 42.21006 
1 1 1   13    9   21 o  220.085   11.142 20201.56  1984.57 20081.09  2451.23 20430.76  3381.14  217.811   13.933  215.560   19.530 2.251572 23.99051 
1 1 1   13    9   22 o  151.518   9.4166  9566.90  1152.76 10707.26  1573.13  8244.45  1694.08  158.924   12.286  137.659   15.421 21.26523 19.71722 
1 1 1   13    9   23 o  104.381   9.7857  4602.80  819.689  4946.33  1019.50  3974.72  1378.53  107.267   11.906   92.171   19.049 15.09548 22.46413 
1 1 1   13    9   24 o   28.041   11.861   75.780  465.554  379.525  535.628 -862.6055  941.455   34.464   13.376   30.463   14.406 4.000755 19.65828 
1 1 1   13    9   25 o   61.796   13.382  1783.99  652.002  2275.59  731.872 -106.7219  1435.30   70.019   13.361   41.924   19.105 28.09433 23.31288 
1 1 1   13   11    0 f  821.887   39.721 277146.91 26507.88   0.0000   0.0000 277146.91 26507.88  ?   ?   821.887   39.721 0.000000 39.72138 
1 1 1   13   11    1 f  994.583   38.926 405602.81 31435.25 397927.09 54445.07 409441.09 38501.00  972.490   69.406  996.852   47.567 -24.36237 84.14137 
1 1 1   13   11    2 o  465.324   33.038 88946.95 12401.41   0.0000   0.0000 88946.95 12401.41  ?   ?   465.324   33.038 0.000000 33.03767 
1 1 1   13   11    3 o  678.812   47.250 190451.80 25880.33   0.0000   0.0000 190451.80 25880.33  ?   ?   678.812   47.250 0.000000 47.24962 
1 1 1   13   11    4 o  1496.03   72.318 935955.62 87847.45 1000633.00 124273.40 871358.38 124196.70  1523.10  101.061  1414.18  109.001 108.9233 148.6425 
1 1 1   13   11    5 o  208.873   10.514 17768.46  1777.40 15241.57  3217.32 18878.42  2132.33  192.385   20.934  215.197   12.254 -22.81245 24.25685 
1 1 1   13   11    6 o  705.652   25.943 203028.50 14864.73 248672.59 25877.14 180549.59 18159.82  777.380   41.143  663.605   33.815 113.7751 53.25558 
1 1 1   13   11    7 o  1008.49   39.586 418045.31 32415.21 442754.50 56273.50 405775.19 39655.08  1023.63   68.094  990.232   49.320 33.39606 84.07887 
1 1 1   13   11    8 o  691.308   26.647 195567.50 14957.39 226733.50 26046.85 180233.59 18270.13  738.260   43.646  661.132   34.151 77.12848 55.41862 
1 1 1   13   11    9 o  215.637   10.103 18907.86  1769.01 18704.39  2177.22 19303.13  3034.59  214.013   12.585  216.858   17.380 -2.845032 21.45781 
1 1 1   13   11   10 o  133.659   6.4629  7258.54  701.401  6721.84  981.685  7818.25  1002.50  128.213   9.4973  138.376   8.9708 -10.16281 13.06424 
1 1 1   13   11   11 o  342.269   11.851 47702.68  3293.49 47587.80  4665.37 47816.81  4650.07  341.338   16.833  342.170   16.737 -0.8320313 23.73773 
1 1 1   13   11   12 o  487.344   19.748 97336.80  7814.29 96643.25 13705.89 97670.84  9511.68  479.439   35.459  487.076   24.050 -7.637482 42.84586 
1 1 1   13   11   13 o  376.642   13.835 57903.02  4230.91 56114.79  5991.48 59681.64  5975.37  369.164   20.064  380.924   19.383 -11.76013 27.89724 
1 1 1   13   11   14 o  406.309   14.365 67478.43  4739.28 66613.38  6713.44 68337.78  6691.31  401.745   20.650  407.540   20.221 -5.794312 28.90200 
1 1 1   13   11   15 o  313.983   11.919 40246.53  3038.66 43172.78  4316.44 37371.59  4278.43  323.981   16.463  301.090   17.577 22.89078 24.08240 
1 1 1   13   11   16 o  166.919   9.4250 11398.37  1272.17 13086.57  2498.41 10807.45  1478.15  177.320   17.585  162.247   11.291 15.07295 20.89734 
1 1 1   13   11   17 o  142.840   9.6518  8378.21  1112.86 10460.60  2439.07  7830.73  1250.62  157.197   19.530  137.782   11.278 19.41464 22.55229 
1 1 1   13   11   18 o  122.513   13.130  6271.74  1285.74 10364.95  2573.12  4909.67  1484.33  154.997   20.985  106.924   17.717 48.07325 27.46412 
1 1 1   13   11   19 o  118.747   8.8286  5816.73  845.149  5184.03  1018.45  7216.05  1514.60  111.457   11.415  130.711   14.516 -19.25379 18.46635 
1 1 1   13   11   20 o  188.681   9.0253 14657.41  1382.71 15189.61  1966.76 14137.28  1944.32  190.350   12.799  183.453   13.140 6.896423 18.34343 
1 1 1   13   11   21 o   77.787   9.9166  2546.91  612.088  2831.41  763.017  2033.33  1025.16   81.492   11.881   67.191   18.297 14.30045 21.81590 
1 1 1   13   11   22 o  138.440   9.2201  7999.63  1030.49  9050.70  1384.80  6695.34  1542.62  146.067   11.776  123.398   15.756 22.66857 19.67030 
1 1 1   13   11   23 o   50.063   13.458  1124.26  558.876  1110.45  686.782  1151.31  961.587   49.804   15.410   51.743   18.311 -1.939251 23.93267 
1 1 1   13   11   24 o   39.673   12.632  692.302  458.202  1279.71  507.987 -1871.5610  1061.28   53.236   12.035   27.588   13.566 25.64835 18.13489 
1 1 1   13   11   25 o  134.410   14.178  8468.44  1524.00  8468.44  1524.00   0.0000   0.0000  134.410   14.178  ?   ?  0.000000 14.17806 
1 1 1   13   13    0 o  484.258   24.027 95530.09  9447.32   0.0000   0.0000 95530.09  9447.32  ?   ?   484.258   24.027 0.000000 24.02668 
1 1 1   13   13    1 o  942.488   36.920 363512.31 28253.73 360313.50 48942.99 365111.09 34601.46  928.397   65.343  942.694   45.205 -14.29742 79.45531 
1 1 1   13   13    2 o  483.802   23.954 95343.74  9409.82 98367.17 13333.64 92343.91 13281.50  489.470   33.756  474.015   34.750 15.45544 48.44591 
1 1 1   13   13    3 o  241.696   13.547 23816.52  2647.85 27746.40  3784.55 20048.21  3705.93  260.558   17.999  220.955   20.905 39.60342 27.58565 
1 1 1   13   13    4 f  1068.42   51.096 471020.00 44326.51 513836.19 62733.30 428329.50 62641.09  1106.03   70.218  1005.86   77.289 100.1685 104.4228 
1 1 1   13   13    5 o  721.516   25.082 212293.80 14694.04 266527.09 25623.48 185719.80 17936.33  805.868   39.159  673.788   32.785 132.0798 51.07151 
1 1 1   13   13    6 o  522.976   21.414 111490.70  9093.36 114456.90 15917.08 110053.50 11079.40  526.406   37.484  518.385   26.410 8.020325 45.85371 
1 1 1   13   13    7 o  445.483   22.198 81045.37  8029.44 83158.38 11429.07 78986.00 11283.03  448.843   31.561  437.280   32.000 11.56290 44.94562 
1 1 1   13   13    8 o  304.324   15.568 37840.59  3833.95 41078.77  5587.48 34959.46  5270.44  316.161   21.900  291.448   22.444 24.71289 31.35867 
1 1 1   13   13    9 o  312.565   13.292 39796.14  3373.32 40989.20  6028.68 39252.35  4070.12  315.203   23.730  309.748   16.240 5.454407 28.75453 
1 1 1   13   13   10 o  126.720   7.9904  6553.89  817.941  5855.30  1646.81  6782.67  942.402  118.433   17.665  128.826   9.0672 -10.39272 19.85640 
1 1 1   13   13   11 o  166.835   8.7368 11351.34  1179.40 13772.62  2264.77 10450.37  1381.52  183.037   15.381  159.867   10.705 23.17032 18.73960 
1 1 1   13   13   12 o  365.623   13.004 54520.44  3860.44 54069.74  5473.59 54966.53  5445.50  362.772   18.645  366.296   18.309 -3.524414 26.13186 
1 1 1   13   13   13 o  268.235   9.9495 29301.21  2166.98 28609.23  3078.41 29980.90  3050.93  264.217   14.404  270.574   13.934 -6.357605 20.04063 
1 1 1   13   13   14 o  447.205   18.352 82194.57  6663.92 85044.04 11821.74 80867.41  8067.91  447.932   32.730  441.660   22.573 6.271851 39.75926 
1 1 1   13   13   15 o  316.220   13.868 40948.86  3560.74 42155.71  6461.23 40422.46  4267.20  316.754   25.334  313.105   16.847 3.648163 30.42411 
1 1 1   13   13   16 o  269.619   11.741 29766.97  2570.40 31166.74  3169.71 27078.57  4392.75  274.978   14.245  253.783   21.520 21.19472 25.80794 
1 1 1   13   13   17 o  208.444   10.351 17811.70  1751.85 18377.52  2174.45 16765.16  2957.26  210.832   12.762  199.363   18.479 11.46947 22.45749 
1 1 1   13   13   18 o   75.425   8.0213  2353.30  483.704  2427.36  628.418  2245.64  757.701   76.141   10.440   72.510   13.362 3.630798 16.95648 
1 1 1   13   13   19 o   22.228   9.4264   11.171  295.266   30.074  326.162 -74.6646  695.026   23.666   9.9645   32.612   14.153 -8.945755 17.30906 
1 1 1   13   13   20 o  144.026   8.5536  8568.61  995.806  9050.54  1337.35  7968.90  1491.85  147.120   11.281  137.096   13.580 10.02391 17.65479 
1 1 1   13   13   21 o  110.144   8.7637  5046.93  777.282  6542.69  1012.24  2897.63  1213.39  125.047   10.054   79.613   19.029 45.43340 21.52218 
1 1 1   13   13   22 o   83.080   9.5228  2916.28  630.791  2954.38  755.234  2828.41  1147.09   82.896   11.533   78.045   18.401 4.850449 21.71659 
1 1 1   13   13   23 o  100.006   9.7281  4258.57  779.940  5202.27  940.456  2179.81  1395.81  110.129   10.650   66.181   22.115 43.94855 24.54558 
1 1 1   13   13   24 o   27.888   11.898   65.444  475.439  289.762  511.212 -1371.1600  1293.71   32.153   12.883   33.504   16.125 -1.350861 20.63964 
1 1 1   13   15    0 o  894.690   43.300 329006.09 31455.48   0.0000   0.0000 329006.09 31455.48  ?   ?   894.690   43.300 0.000000 43.29974 
1 1 1   13   15    1 o  738.965   29.450 222985.59 17670.15 226282.91 30628.10 221340.59 21633.48  738.357   51.408  735.140   36.242 3.216736 62.89936 
1 1 1   13   15    2 o  586.596   23.531 140241.80 11207.62 144012.41 19397.93 138352.41 13731.52  590.799   40.685  582.038   29.056 8.761536 49.99480 
1 1 1   13   15    3 o  985.753   47.653 401411.59 38141.63 412651.50 53988.64 390211.69 53892.32  988.799   67.651  960.369   69.583 28.42950 97.04884 
1 1 1   13   15    4 o  882.631   42.631 321476.59 30552.28 338467.09 43261.21 304570.31 43153.90  896.905   59.746  848.921   63.056 47.98419 86.86549 
1 1 1   13   15    5 o  554.048   27.176 125652.40 12225.77 132448.09 17363.41 118970.60 17217.21  565.407   38.043  535.190   39.907 30.21698 55.13447 
1 1 1   13   15    6 o   79.887   16.460  2696.21  1032.18  2696.21  1032.18   0.0000   0.0000   79.887   16.460  ?   ?  0.000000 16.46017 
1 1 1   13   15    7 o  133.361   7.3904  7249.42  797.144 10036.41  1583.03  6302.66  922.661  156.518   12.562  124.166   9.2175 32.35204 15.58100 
1 1 1   13   15    8 o  381.068   16.027 59248.88  4959.09 57663.44  8815.67 59982.82  5998.10  372.658   29.373  382.502   19.376 -9.844330 35.18763 
1 1 1   13   15    9 o  467.904   18.426 89527.48  7000.35 97467.24 12354.07 85772.48  8495.94  483.877   31.618  456.515   22.994 27.36188 39.09478 
1 1 1   13   15   10 o   89.518   8.1587  3285.37  586.506  1925.59  1317.04  3621.74  655.043   68.693   21.354   93.968   8.6834 -25.27489 23.05180 
1 1 1   13   15   11 o   54.787   9.6200  1257.47  412.338  2244.40  934.073  1018.59  459.537   72.681   16.237   49.022   11.706 23.65906 20.01703 
1 1 1   13   15   12 o  141.810   8.7083  8213.98  997.868 10621.56  2044.19  7460.81  1143.35  160.357   15.910  134.928   10.519 25.42853 19.07297 
1 1 1   13   15   13 o  234.435   14.486 22562.63  2744.01 20514.42  4123.19 24190.96  3676.37  221.526   23.271  241.875   18.869 -20.34850 29.95915 
1 1 1   13   15   14 o  200.490   13.564 16519.61  2195.13 13316.84  3358.48 18908.30  2900.41  177.498   23.911  213.891   16.837 -36.39287 29.24424 
1 1 1   13   15   15 o  273.488   12.284 30621.58  2727.72 30042.82  3347.65 31764.94  4705.26  269.843   15.342  275.532   21.194 -5.688599 26.16447 
1 1 1   13   15   16 o   20.455   8.5931   21.709  241.673  116.538  263.105 -490.2578  611.336   23.372   9.2825   26.370   12.182 -2.997084 15.31537 
1 1 1   13   15   17 o  120.960   7.4922  5999.29  732.225  5710.25  968.934  6384.13  1118.04  117.485   10.260  124.056   11.221 -6.570724 15.20462 
1 1 1   13   15   18 o  358.583   13.330 53496.49  3881.24 55051.34  5546.67 52004.77  5432.89  358.779   19.109  348.535   19.272 10.24390 27.13988 
1 1 1   13   15   19 o  123.440   7.9202  6278.47  789.648  5223.49  1023.21  7832.08  1241.69  111.619   11.452  136.959   11.266 -25.33971 16.06432 
1 1 1   13   15   20 o   72.279   8.5186  2182.55  490.343  2301.25  565.396  1822.40  984.896   73.962   9.6442   63.807   18.147 10.15429 20.55098 
1 1 1   13   15   21 o   69.369   9.2425  2031.99  507.630  2280.60  583.050  1253.18  1031.95   73.310   10.060   54.550   18.995 18.75996 21.49454 
1 1 1   13   15   22 o   64.491   10.455  1794.34  528.728  1693.56  589.233  2210.85  1197.87   62.022   12.135   67.880   20.221 -5.858311 23.58266 
1 1 1   13   15   23 f  119.141   9.4668  6051.02  908.253  6323.96  1140.65  5578.16  1501.35  120.243   11.836  108.347   17.675 11.89563 21.27247 
1 1 1   13   15   24 o   85.298   11.466  3261.25  773.988  3261.25  773.988   0.0000   0.0000   85.298   11.466  ?   ?  0.000000 11.46565 
1 1 1   13   17    0 f  312.783   17.063 39958.45  4317.16   0.0000   0.0000 39958.45  4317.16  ?   ?   312.783   17.063 0.000000 17.06317 
1 1 1   13   17    1 o   75.003   8.9584  2318.38  534.768  2205.43  1030.49  2360.00  625.600   72.156   17.718   75.477   10.492 -3.321266 20.59174 
1 1 1   13   17    2 o  309.943   13.941 39090.00  3508.46 46025.27  6094.62 35652.58  4290.73  334.955   22.540  295.237   17.984 39.71851 28.83566 
1 1 1   13   17    3 o  850.006   41.731 300005.31 28801.85 297850.41 40802.50 302145.41 40661.79  834.840   60.606  841.342   59.913 -6.501587 85.22134 
1 1 1   13   17    4 o  438.408   32.373 79664.88 11442.43 79664.88 11442.43   0.0000   0.0000  438.408   32.373  ?   ?  0.000000 32.37310 
1 1 1   13   17    5 o  197.756   18.822 16115.65  2985.76 16115.65  2985.76   0.0000   0.0000  197.756   18.822  ?   ?  0.000000 18.82163 
1 1 1   13   17    6 o  157.470   10.524 10133.30  1337.87  4360.87  2615.84 12178.14  1556.91  101.820   29.764  172.632   11.167 -70.81108 31.78987 
1 1 1   13   17    7 o  284.230   14.694 33030.11  3379.47 23730.82  6134.14 37082.70  4049.44  237.095   32.737  300.920   16.638 -63.82497 36.72197 
1 1 1   13   17    8 o  204.624   9.5521 17033.54  1587.06 20747.57  3056.86 15663.00  1856.94  224.730   16.876  195.770   11.736 28.95929 20.55531 
1 1 1   13   17    9 o  186.802   9.4895 14234.40  1434.61 13279.29  2761.85 14587.33  1678.87  179.030   19.305  188.957   10.990 -9.927277 22.21369 
1 1 1   13   17   10 o  568.894   23.104 133314.80 10672.34 132761.91 18792.34 133578.00 12966.17  557.297   41.835  567.482   28.140 -10.18433 50.41812 
1 1 1   13   17   11 o  246.867   15.087 25007.47  3009.63 21481.59  4478.31 27911.53  4064.27  226.622   24.739  259.996   19.392 -33.37390 31.43345 
1 1 1   13   17   12 o  208.122   13.279 17765.15  2232.26 20121.72  3428.61 16031.22  2940.99  220.358   19.359  196.661   18.640 23.69679 26.87420 
1 1 1   13   17   13 o  267.307   12.170 29187.26  2641.38 30888.76  5000.98 28528.95  3110.67  272.001   22.856  263.530   14.594 8.470276 27.11766 
1 1 1   13   17   14 o  244.420   11.866 24435.22  2354.97 23520.71  4549.99 24769.85  2752.30  235.979   24.084  245.375   13.871 -9.396240 27.79292 
1 1 1   13   17   15 o  162.340   10.748 10837.83  1408.69  9468.63  3307.70 11141.20  1556.94  146.040   28.917  164.407   11.740 -18.36667 31.20980 
1 1 1   13   17   16 o  238.125   11.718 23345.31  2265.68 32938.63  4770.06 20550.50  2574.64  277.730   21.315  222.217   14.346 55.51251 25.69321 
1 1 1   13   17   17 o  198.275   11.373 16280.06  1823.32 18596.96  3931.30 15645.10  2058.06  205.355   24.032  193.712   13.163 11.64336 27.40033 
1 1 1   13   17   18 o  217.430   12.389 19727.97  2178.19 21615.49  4813.76 19242.00  2442.55  216.271   28.075  213.852   14.147 2.419342 31.43749 
1 1 1   13   17   19 o   87.095   14.857  3292.26  1012.97  2249.02  3295.69  3401.10  1064.49   79.497   32.400   88.357   15.397 -8.859947 35.87243 
1 1 1   13   17   20 o   39.035   16.665   95.501  933.826  904.256  3260.09   23.213  974.666   69.775   30.462   39.061   16.856 30.71404 34.81462 
1 1 1   13   17   21 o  127.349   13.424  7026.41  1367.22  5040.71  4304.02  7249.28  1441.91   91.886   37.181  129.032   13.987 -37.14551 39.72503 
1 1 1   13   17   22 f   97.891   17.459  4479.61  1336.84   0.0000   0.0000  4479.61  1336.84  ?   ?    97.891   17.459 0.000000 17.45932 
1 1 1   13   17   23 f  103.191   18.245  5238.05  1472.75   0.0000   0.0000  5238.05  1472.75  ?   ?   103.191   18.245 0.000000 18.24456 
1 1 1   13   19    0 o  685.578   49.812 200014.00 27539.13   0.0000   0.0000 200014.00 27539.13  ?   ?   685.578   49.812 0.000000 49.81184 
1 1 1   13   19    1 o  565.369   28.635 131983.00 13102.34 138632.30 18565.22 125384.50 18493.99  574.953   40.017  545.749   42.059 29.20392 58.05453 
1 1 1   13   19    2 o  359.502   16.082 52719.91  4694.40 52823.52  8160.57 52668.68  5739.06  356.994   28.387  358.355   19.801 -1.360809 34.61064 
1 1 1   13   19    3 o  591.885   24.811 143913.09 11924.01 151119.09 20649.26 140308.20 14605.19  598.283   42.789  581.726   31.033 16.55664 52.85801 
1 1 1   13   19    4 o  529.886   26.493 115593.90 11398.54 122159.90 16225.12 109195.30 16016.85  539.919   37.238  509.556   39.008 30.36325 53.92874 
1 1 1   13   19    5 o  305.108   17.036 38139.75  4203.51 37621.06  6043.72 38625.76  5850.33  301.466   24.914  305.756   23.751 -4.290314 34.42118 
1 1 1   13   19    6 o  210.934   13.533 18210.83  2305.60 19838.36  3387.99 16806.95  3146.60  219.335   19.218  201.706   19.454 17.62872 27.34530 
1 1 1   13   19    7 o  257.920   15.259 27251.08  3181.31 26752.68  4646.36 27690.93  4364.93  254.153   22.756  258.990   20.936 -4.837585 30.92163 
1 1 1   13   19    8 o  241.468   14.588 23888.59  2846.85 25053.20  4227.22 22922.00  3851.13  246.058   21.370  235.497   20.340 10.56056 29.50263 
1 1 1   13   19    9 o   69.073   13.759  2015.77  744.535  1811.78  1351.00  2104.75  892.257   67.282   21.718   70.361   15.982 -3.079750 26.96482 
1 1 1   13   19   10 o  275.677   16.105 31214.75  3589.32 30547.65  5270.60 31791.71  4901.60  270.739   24.232  276.859   21.985 -6.120026 32.71900 
1 1 1   13   19   11 o  583.440   23.124 140879.50 10954.63 146512.91 19387.69 138237.59 13277.22  581.794   41.310  575.149   28.431 6.644531 50.14772 
1 1 1   13   19   12 o  313.577   13.611 40233.74  3465.47 43672.31  6471.19 38851.08  4103.47  322.896   24.874  307.150   16.514 15.74576 29.85667 
1 1 1   13   19   13 o  127.674   9.5872  6687.22  986.621  7809.96  2309.93  6436.69  1091.16  135.432   21.741  125.060   10.853 10.37178 24.29979 
1 1 1   13   19   14 o  175.826   10.346 12692.35  1470.58 14871.09  3339.63 12168.27  1637.92  186.765   22.474  171.853   11.810 14.91219 25.38763 
1 1 1   13   19   15 o  173.032   10.575 12334.64  1478.67 16801.17  3660.01 11463.40  1616.46  197.019   23.332  166.423   12.044 30.59595 26.25723 
1 1 1   13   19   16 o  238.949   12.117 23665.57  2343.30 32138.05  5121.35 21422.13  2635.34  271.298   23.480  226.346   14.414 44.95189 27.55168 
1 1 1   13   19   17 o   64.213   15.250  1800.17  783.310  3321.29  2990.07  1688.09  811.656   87.631   32.122   62.109   15.997 25.52172 35.88489 
1 1 1   13   19   18 o   37.567   15.479  227.125  762.573 -1350.3590  2595.81  376.123  797.774   54.454   25.137   40.154   16.092 14.29982 29.84632 
1 1 1   13   19   19 o  174.095   12.147 12783.17  1706.28 15516.74  4322.68 12278.65  1857.08  175.111   31.563  169.821   13.582 5.290085 34.36099 
1 1 1   13   19   20 o  113.086   13.991  5557.65  1257.30  6672.34  3834.29  5423.35  1330.89  105.334   36.618  111.081   15.151 -5.747353 39.62852 
1 1 1   13   19   21 o  140.973   14.477  8785.02  1633.57   0.0000   0.0000  8785.02  1633.57  ?   ?   140.973   14.477 0.000000 14.47683 
1 1 1   13   19   22 f   49.447   19.973  903.687  1239.54   0.0000   0.0000  903.687  1239.54  ?   ?    49.447   19.973 0.000000 19.97275 
1 1 1   13   19   23 o   34.172   16.818 -2319.1841  1642.04   0.0000   0.0000 -2319.1841  1642.04  ?   ?    34.172   16.818 0.000000 16.81777 
1 1 1   13   21    0 o  415.496   22.111 71031.39  7432.55   0.0000   0.0000 71031.39  7432.55  ?   ?   415.496   22.111 0.000000 22.11053 
1 1 1   13   21    1 o  267.389   16.147 29297.37  3489.25   0.0000   0.0000 29297.37  3489.25  ?   ?   267.389   16.147 0.000000 16.14697 
1 1 1   13   21    2 o  249.743   12.687 25477.51  2564.23 25168.80  4491.87 25626.74  3123.11  246.570   22.691  250.107   15.455 -3.536865 27.45384 
1 1 1   13   21    3 o  119.429   12.476  5873.88  1191.99  5448.54  1749.19  6242.65  1628.72  113.767   19.646  122.485   16.821 -8.718613 25.86315 
1 1 1   13   21    4 o  431.049   22.654 76554.13  7901.01 77771.19 11321.61 75398.65 11031.47  431.147   32.581  424.614   32.237 6.532410 45.83378 
1 1 1   13   21    5 f  297.987   16.997 36424.92  4095.50 37714.02  5934.68 35252.82  5658.99  301.602   24.444  291.613   24.116 9.988647 34.33818 
1 1 1   13   21    6 o  733.761   37.086 227080.41 22023.94 229899.59 31315.09 224321.00 30980.71  723.787   53.667  714.812   53.772 8.975403 75.97092 
1 1 1   13   21    7 o  188.976   9.8963 14578.62  1513.23 14686.75  3143.90 14546.01  1726.36  187.899   20.964  188.603   11.326 -0.7042542 23.82761 
1 1 1   13   21    8 o  189.240   10.362 14631.07  1586.20 14469.67  3290.61 14679.93  1810.41  186.101   22.216  189.376   11.833 -3.275269 25.17056 
1 1 1   13   21    9 o   79.115   8.6697  2578.03  547.810  6632.90  1624.09  2057.47  581.912  126.241   16.219   70.289   10.519 55.95262 19.33198 
1 1 1   13   21   10 o  250.931   13.123 25801.55  2664.57 18448.01  5189.40 28434.43  3105.16  207.037   31.894  263.178   14.588 -56.14093 35.07158 
1 1 1   13   21   11 o  343.097   14.583 48248.83  4062.57 48626.70  7609.59 48098.20  4804.58  339.169   27.878  341.454   17.387 -2.285553 32.85593 
1 1 1   13   21   12 o  182.201   10.871 13615.19  1600.94 10075.45  3426.25 14603.88  1810.78  151.779   28.856  188.542   11.889 -36.76335 31.20955 
1 1 1   13   21   13 o  109.357   10.147  4934.32  890.734  8541.42  2896.11  4557.46  936.109  139.330   26.569  104.876   11.165 34.45327 28.81971 
1 1 1   13   21   14 o  406.514   17.719 69215.48  5848.59 72981.94 10893.45 67690.10  6932.47  400.574   33.808  398.639   21.497 1.935211 40.06383 
1 1 1   13   21   15 o  141.349   10.596  8269.62  1207.31 10621.96  3606.28  7972.71  1281.24  151.208   30.427  138.540   11.494 12.66792 32.52500 
1 1 1   13   21   16 o  124.414   10.938  6444.90  1093.74  8861.62  3190.36  6123.04  1164.29  136.926   29.561  120.931   12.016 15.99503 31.91045 
1 1 1   13   21   17 o   88.477   13.618  3354.11  946.940  7951.23  3652.06  3022.77  980.472  124.260   34.808   83.444   15.024 40.81649 37.91174 
1 1 1   13   21   18 o   47.424   17.042  858.937  835.903 -1432.5150  3786.07  976.359  857.053   64.676   30.031   49.463   17.306 15.21310 34.66058 
1 1 1   13   21   19 o   44.473   17.269  629.519  893.093  5999.08  4208.15  376.260  913.912  100.520   37.868   41.613   17.022 58.90720 41.51782 
1 1 1   13   21   20 o   90.201   16.997  3729.20  1199.22   0.0000   0.0000  3729.20  1199.22  ?   ?    90.201   16.997 0.000000 16.99737 
1 1 1   13   21   21 o   44.879   18.572  556.880  1104.21   0.0000   0.0000  556.880  1104.21  ?   ?    44.879   18.572 0.000000 18.57158 
1 1 1   13   21   22 o   30.240   14.732 -1595.1140  1166.90   0.0000   0.0000 -1595.1140  1166.90  ?   ?    30.240   14.732 0.000000 14.73230 
1 1 1   13   23    0 o  144.197   20.429  8698.34  2324.98   0.0000   0.0000  8698.34  2324.98  ?   ?   144.197   20.429 0.000000 20.42898 
1 1 1   13   23    1 o  288.295   24.614 34523.37  5706.50   0.0000   0.0000 34523.37  5706.50  ?   ?   288.295   24.614 0.000000 24.61365 
1 1 1   13   23    2 o  715.607   36.817 216016.80 21319.77 211124.80 30336.46 220790.70 29968.33  692.345   54.402  710.127   52.343 -17.78198 75.49434 
1 1 1   13   23    3 o  443.061   19.393 80528.46  6976.60 76938.30 12149.50 82294.66  8521.61  426.656   35.390  446.191   23.605 -19.53500 42.54015 
1 1 1   13   23    4 o  166.142   11.811 11307.71  1582.98 13288.06  2727.91 10302.29  1943.72  178.998   19.062  158.034   15.341 20.96436 24.46872 
1 1 1   13   23    5 o  137.299   13.754  7772.90  1512.75  6995.97  2334.60  8335.20  1986.10  128.327   23.262  141.551   17.665 -13.22313 29.20911 
1 1 1   13   23    6 o  132.283   13.826  7224.51  1463.11  6623.97  2291.40  7637.90  1901.12  124.677   23.497  135.359   17.723 -10.68126 29.43145 
1 1 1   13   23    7 o  284.060   17.570 33233.24  4032.68 29081.33  5942.36 36777.78  5490.55  262.608   28.316  297.440   22.910 -34.83286 36.42401 
1 1 1   13   23    8 o  248.291   11.046 25144.14  2226.96 24747.36  4501.04 25272.76  2562.60  243.432   23.046  248.415   12.748 -4.983810 26.33679 
1 1 1   13   23    9 o  115.465   8.9818  5463.77  835.446  9359.22  2278.59  4858.77  897.982  149.489   19.217  108.671   10.300 40.81789 21.80361 
1 1 1   13   23   10 o  224.339   11.107 20560.32  2023.13 21967.63  4202.06 20135.65  2308.28  228.524   22.956  221.405   12.896 7.119141 26.33057 
1 1 1   13   23   11 o  171.202   9.5566 12005.94  1323.17 20350.49  3291.63 10397.70  1445.06  220.736   18.537  158.997   11.266 61.73813 21.69216 
1 1 1   13   23   12 o  312.850   13.861 40378.71  3521.07 48655.16  7067.44 37646.13  4060.96  335.829   26.124  300.569   16.706 35.26050 31.00857 
1 1 1   13   23   13 o  110.377   9.9020  5036.69  878.002  5558.23  3097.63  4991.13  915.550  109.501   32.494  109.772   10.396 -0.2713394 34.11615 
1 1 1   13   23   14 o   95.792   11.083  3832.31  846.099  4227.55  3355.55  3805.47  874.350   97.129   34.224   95.345   11.528 1.784492 36.11393 
1 1 1   13   23   15 o  113.094   11.501  5349.69  1041.38  7200.98  3213.09  5132.40  1100.80  121.597   32.079  110.460   12.493 11.13695 34.42624 
1 1 1   13   23   16 o  227.351   13.140 21717.65  2415.32 20274.77  5854.18 22013.65  2651.52  197.559   37.873  228.142   14.387 -30.58244 40.51377 
1 1 1   13   23   17 f   84.508   14.574  3109.83  963.949 10483.65  3495.32  2502.84  1002.84  144.558   30.726   74.840   16.902 69.71799 35.06771 
1 1 1   13   23   18 o   85.313   15.145  3215.66  1010.70 -116.0518  3947.28  3449.42  1045.56   69.003   31.536   88.446   15.101 -19.44284 34.96551 
1 1 1   13   23   19 o   99.351   15.972  4437.92  1244.79   0.0000   0.0000  4437.92  1244.79  ?   ?    99.351   15.972 0.000000 15.97181 
1 1 1   13   23   20 o   45.110   18.028  671.653  998.178   0.0000   0.0000  671.653  998.178  ?   ?    45.110   18.028 0.000000 18.02751 
1 1 1   13   23   21 o   31.157   14.738 -815.9625  986.601   0.0000   0.0000 -815.9625  986.601  ?   ?    31.157   14.738 0.000000 14.73816 
1 1 1   13   25    0 o  329.764   19.599 44857.61  5224.05   0.0000   0.0000 44857.61  5224.05  ?   ?   329.764   19.599 0.000000 19.59856 
1 1 1   13   25    1 o  296.061   26.089 36645.34  6207.47   0.0000   0.0000 36645.34  6207.47  ?   ?   296.061   26.089 0.000000 26.08895 
1 1 1   13   25    2 o  139.293   19.947  8137.07  2191.64   0.0000   0.0000  8137.07  2191.64  ?   ?   139.293   19.947 0.000000 19.94714 
1 1 1   13   25    3 o   90.979   14.309  3464.41  1022.11  4275.00  1905.67  3137.05  1211.04   99.694   23.860   85.864   17.948 13.83006 29.85708 
1 1 1   13   25    4 o  144.835   12.786  8631.67  1488.17  9194.15  2589.26  8354.21  1818.54  147.619   22.297  141.915   16.065 5.704758 27.48135 
1 1 1   13   25    5 o  243.189   14.569 24286.30  2863.48 24788.67  4921.95 24029.26  3520.61  242.973   25.320  241.149   18.113 1.823959 31.13166 
1 1 1   13   25    6 o  315.580   19.168 41173.70  4888.44 39799.74  7246.26 42321.25  6622.38  306.525   29.478  317.638   25.902 -11.11328 39.24140 
1 1 1   13   25    7 o  330.787   19.844 45353.25  5305.15 42742.39  7836.59 47562.07  7208.00  316.517   30.886  336.064   26.633 -19.54700 40.78328 
1 1 1   13   25    8 o  234.622   16.399 22760.73  3104.51 22579.80  4749.59 22895.69  4102.11  230.662   25.802  233.694   21.873 -3.032684 33.82511 
1 1 1   13   25    9 o  261.427   13.030 28036.96  2765.85 26652.05  5740.79 28455.60  3156.33  248.444   29.004  262.560   14.866 -14.11649 32.59196 
1 1 1   13   25   10 o  322.647   15.060 43007.16  3945.38 44379.69  8004.87 42566.75  4534.38  317.460   31.469  319.563   17.542 -2.103302 36.02853 
1 1 1   13   25   11 o  309.202   13.352 39482.67  3352.18 48799.51  7087.27 36797.68  3804.66  334.888   26.275  297.097   15.829 37.79132 30.67443 
1 1 1   13   25   12 o  100.718   9.9003  4204.08  799.182  6428.73  2907.22  4022.23  831.205  117.537   30.277   98.351   10.575 19.18567 32.07034 
1 1 1   13   25   13 o   63.572   12.296  1728.65  611.761  1520.02  2698.73  1739.95  628.111   73.014   29.478   63.722   12.586 9.292152 32.05257 
1 1 1   13   25   14 o  179.893   11.462 13467.72  1665.54 14340.63  4326.57 13315.85  1804.62  172.542   32.063  178.447   12.534 -5.905518 34.42564 
1 1 1   13   25   15 o   30.198   13.514 -257.8092  681.020  5253.02  3589.64 -463.5663  693.617  101.831   35.429   28.583   13.121 73.24782 37.78029 
1 1 1   13   25   16 o   58.070   17.540  1488.92  896.679 -7533.8198  3690.24  2055.08  924.384   48.109   23.945   67.721   16.873 -19.61207 29.29222 
1 1 1   13   25   17 o   41.538   16.692  438.034  860.924 -848.3315  3902.44  503.844  882.671   65.960   30.579   42.707   16.989 23.25305 34.98144 
1 1 1   13   25   18 o   55.357   18.205  1375.59  947.188   0.0000   0.0000  1375.59  947.188  ?   ?    55.357   18.205 0.000000 18.20531 
1 1 1   13   25   19 o   43.443   18.095  450.489  1058.05   0.0000   0.0000  450.489  1058.05  ?   ?    43.443   18.095 0.000000 18.09481 
1 1 1   13   25   20 o   72.323   21.380  2800.54  1343.04   0.0000   0.0000  2800.54  1343.04  ?   ?    72.323   21.380 0.000000 21.38004 
1 1 1   13   27    0 o  168.593   16.696 11783.32  2255.48   0.0000   0.0000 11783.32  2255.48  ?   ?   168.593   16.696 0.000000 16.69587 
1 1 1   13   27    1 o   78.574   21.068  2640.68  1371.69   0.0000   0.0000  2640.68  1371.69  ?   ?    78.574   21.068 0.000000 21.06812 
1 1 1   13   27    2 o  144.745   17.013  8724.49  1961.32   0.0000   0.0000  8724.49  1961.32  ?   ?   144.745   17.013 0.000000 17.01260 
1 1 1   13   27    3 o  276.266   15.357 31403.83  3431.26 31548.62  6176.67 31339.21  4126.57  272.646   28.314  275.137   18.580 -2.491425 33.86589 
1 1 1   13   27    4 o  475.855   21.526 93937.23  8317.16 83754.27 14562.80 98866.62 10132.20  435.199   41.723  485.303   25.806 -50.10358 49.05846 
1 1 1   13   27    5 o  360.413   18.176 53759.29  5301.90 51205.88  9343.73 54971.84  6438.85  343.771   33.916  362.895   21.955 -19.12427 40.40245 
1 1 1   13   27    6 o  112.168   16.749  5298.58  1478.70  2799.78  2702.77  6366.05  1766.53   85.929   30.669  122.784   18.276 -36.85480 35.70127 
1 1 1   13   27    7 o  139.851   17.653  8226.72  1959.94  8058.88  3793.83  8287.82  2289.06  133.119   34.733  139.447   20.857 -6.328644 40.51427 
1 1 1   13   27    8 o  159.093   16.831 10619.13  2141.15 11631.94  3745.81 10127.61  2609.48  161.565   29.646  153.788   21.484 7.777512 36.61224 
1 1 1   13   27    9 o  244.848   10.519 24598.14  2091.21 44063.15  5275.51 20969.34  2277.82  322.584   20.244  225.247   12.503 97.33638 23.79382 
1 1 1   13   27   10 o  144.790   9.3336  8629.58  1091.46 13547.58  3955.41  8224.25  1135.55  172.780   29.237  141.197   9.9687 31.58348 30.88985 
1 1 1   13   27   11 o  225.180   12.428 21060.13  2263.43 21258.95  5814.07 21024.61  2457.29  210.881   35.196  224.518   13.543 -13.63646 37.71111 
1 1 1   13   27   12 o  266.822   13.427 29755.49  2899.57 32253.27  6951.06 29229.29  3190.40  259.384   33.808  263.532   14.972 -4.148407 36.97467 
1 1 1   13   27   13 o  181.422   11.827 13740.96  1732.75  9300.58  4873.40 14383.53  1853.89  130.180   41.168  185.387   12.387 -55.20772 42.99158 
1 1 1   13   27   14 o  126.486   11.871  6733.37  1204.93  5022.99  4854.36  6845.67  1243.86  100.403   39.873  127.432   12.169 -27.02903 41.68895 
1 1 1   13   27   15 o   90.722   14.298  3575.73  1018.37  7200.51  4779.23  3403.32  1042.30  110.103   40.573   88.142   15.107 21.96133 43.29400 
1 1 1   13   27   16 f   62.235   18.345  1768.42  990.019  344.482  4935.97  1828.11  1010.55   75.386   34.751   63.189   18.508 12.19657 39.37253 
1 1 1   13   27   17 o   89.480   16.793  3659.05  1175.31   0.0000   0.0000  3659.05  1175.31  ?   ?    89.480   16.793 0.000000 16.79336 
1 1 1   13   27   18 o   59.333   19.285  1691.40  1064.04   0.0000   0.0000  1691.40  1064.04  ?   ?    59.333   19.285 0.000000 19.28512 
1 1 1   13   27   19 o   53.328   18.959  1370.79  1031.91   0.0000   0.0000  1370.79  1031.91  ?   ?    53.328   18.959 0.000000 18.95880 
1 1 1   13   29    0 o   98.854   20.861  4218.50  1621.84   0.0000   0.0000  4218.50  1621.84  ?   ?    98.854   20.861 0.000000 20.86127 
1 1 1   13   29    1 o  448.850   26.031 85513.06  9446.16   0.0000   0.0000 85513.06  9446.16  ?   ?   448.850   26.031 0.000000 26.03062 
1 1 1   13   29    2 o  179.212   18.184 13446.55  2609.34   0.0000   0.0000 13446.55  2609.34  ?   ?   179.212   18.184 0.000000 18.18360 
1 1 1   13   29    3 o  150.841   17.940  9566.61  2154.18   0.0000   0.0000  9566.61  2154.18  ?   ?   150.841   17.940 0.000000 17.94010 
1 1 1   13   29    4 o  151.717   16.316  9635.61  1978.34  8830.62  4174.39  9868.78  2246.67  138.113   36.626  152.930   18.467 -14.81734 41.01812 
1 1 1   13   29    5 o  189.220   16.080 14950.77  2447.10 13554.75  4868.28 15422.76  2830.71  171.035   36.185  191.384   18.444 -20.34982 40.61430 
1 1 1   13   29    6 o  144.955   17.267  8881.97  1992.37  6352.90  3796.63  9843.14  2340.55  116.950   36.239  151.940   19.416 -34.98965 41.11270 
1 1 1   13   29    7 o  254.911   16.788 27275.49  3455.28 35645.55  6361.68 23773.11  4115.19  283.731   27.978  235.279   21.788 48.45163 35.46132 
1 1 1   13   29    8 o  210.654   18.558 18879.04  3141.79 26174.96  5767.67 15800.77  3746.40  239.896   30.285  189.103   25.013 50.79305 39.27886 
1 1 1   13   29    9 o  200.493   12.992 16750.32  2103.71 10214.12  5894.65 17704.32  2252.00  138.043   45.417  205.917   13.545 -67.87460 47.39354 
1 1 1   13   29   10 o   53.606   11.327  1232.10  477.590  2318.30  3944.85  1215.94  481.129   85.788   35.261   53.223   11.471 32.56472 37.07963 
1 1 1   13   29   11 o  112.161   10.200  5237.43  918.808  4825.72  4640.69  5254.22  937.364  101.531   39.381  112.288   10.399 -10.75731 40.73102 
1 1 1   13   29   12 o  101.070   10.554  4278.54  853.378  4246.94  4899.96  4279.53  866.622   97.166   39.543  101.030   10.729 -3.863991 40.97250 
1 1 1   13   29   13 f   81.394   12.190  2832.50  780.843 -1363.8850  4293.46  2976.05  794.086   68.861   31.976   83.511   12.060 -14.64976 34.17519 
1 1 1   13   29   14 o   73.875   14.996  2416.84  868.823 -3475.1011  5423.38  2572.03  880.190   68.933   33.137   76.368   14.729 -7.434753 36.26285 
1 1 1   13   29   15 o   87.425   16.002  3428.68  1094.08 -3054.6990  6055.58  3647.46  1112.39   70.940   34.326   90.369   15.731 -19.42954 37.75940 
1 1 1   13   29   16 o   59.943   18.646  1681.51  1004.02   0.0000   0.0000  1681.51  1004.02  ?   ?    59.943   18.646 0.000000 18.64601 
1 1 1   13   29   17 o   79.625   19.277  3124.40  1232.99   0.0000   0.0000  3124.40  1232.99  ?   ?    79.625   19.277 0.000000 19.27719 
1 1 1   13   29   18 f   32.210   14.988 -548.3727  951.181   0.0000   0.0000 -548.3727  951.181  ?   ?    32.210   14.988 0.000000 14.98807 
1 1 1   13   31    0 o  172.845   19.607 12749.58  2703.08   0.0000   0.0000 12749.58  2703.08  ?   ?   172.845   19.607 0.000000 19.60731 
1 1 1   13   31    1 o  126.581   22.042  7000.23  2183.16   0.0000   0.0000  7000.23  2183.16  ?   ?   126.581   22.042 0.000000 22.04218 
1 1 1   13   31    2 o  232.364   19.971 22999.55  3731.34   0.0000   0.0000 22999.55  3731.34  ?   ?   232.364   19.971 0.000000 19.97091 
1 1 1   13   31    3 o  170.371   19.575 12425.28  2658.79   0.0000   0.0000 12425.28  2658.79  ?   ?   170.371   19.575 0.000000 19.57549 
1 1 1   13   31    4 o  265.361   17.751 29763.65  3802.71 39831.78  7574.25 26370.58  4397.05  294.686   32.178  247.009   22.159 47.67706 39.06981 
1 1 1   13   31    5 o  113.974   19.491  5655.52  1738.97  2823.48  3865.79  6373.96  1947.09   89.662   35.590  120.710   20.605 -31.04776 41.12488 
1 1 1   13   31    6 o   50.057   20.308  531.591  1287.56 -504.5029  3143.19  740.504  1411.41   65.446   29.178   53.821   21.460 11.62501 36.21983 
1 1 1   13   31    7 o   73.464   22.769  2377.62  1498.61  8481.78  4251.42  1511.53  1601.40  129.091   38.005   63.683   23.483 65.40747 44.67433 
1 1 1   13   31    8 f  105.576   23.080  5064.37  1923.36  7069.23  4455.40  4605.17  2132.27  116.848   39.508   99.441   26.084 17.40697 47.34212 
1 1 1   13   31    9 o  144.420   10.672  8680.27  1242.59  5568.63  5759.73  8832.16  1272.56  106.991   43.111  145.629   10.840 -38.63779 44.45242 
1 1 1   13   31   10 o   62.817   10.597  1678.74  521.279  1607.37  4258.44  1679.83  525.229   81.534   35.209   62.817   10.680 18.71750 36.79280 
1 1 1   13   31   11 o  235.512   13.493 23481.53  2569.53 31412.70  7886.12 22539.51  2717.85  234.515   42.999  229.898   14.636 4.617233 45.42194 
1 1 1   13   31   12 o  148.132   11.894  9275.61  1418.50  4395.10  5823.76  9583.41  1462.55   95.134   41.128  150.495   12.070 -55.36177 42.86223 
1 1 1   13   31   13 o   82.855   13.301  2990.88  864.569  2953.24  5331.31  2991.90  876.167   85.668   38.110   82.787   13.500 2.880806 40.43013 
1 1 1   13   31   14 f  114.649   12.334  5668.90  1130.08  8842.70  6263.95  5562.12  1148.93  104.302   43.779  113.357   12.701 -9.055176 45.58395 
1 1 1   13   31   15 o  143.310   13.126  8997.32  1510.36   0.0000   0.0000  8997.32  1510.36  ?   ?   143.310   13.126 0.000000 13.12554 
1 1 1   13   31   16 o  124.523   14.523  7048.15  1440.85   0.0000   0.0000  7048.15  1440.85  ?   ?   124.523   14.523 0.000000 14.52344 
1 1 1   13   31   17 o   48.850   18.461  1094.53  1002.03   0.0000   0.0000  1094.53  1002.03  ?   ?    48.850   18.461 0.000000 18.46065 
1 1 1   13   33    0 o  212.514   21.458 19729.12  3651.96   0.0000   0.0000 19729.12  3651.96  ?   ?   212.514   21.458 0.000000 21.45794 
1 1 1   13   33    1 o  244.345   22.323 26184.43  4380.06   0.0000   0.0000 26184.43  4380.06  ?   ?   244.345   22.323 0.000000 22.32345 
1 1 1   13   33    2 o  132.248   23.142  7838.66  2394.48   0.0000   0.0000  7838.66  2394.48  ?   ?   132.248   23.142 0.000000 23.14176 
1 1 1   13   33    3 o   48.484   21.106 -78.6929  1555.16   0.0000   0.0000 -78.6929  1555.16  ?   ?    48.484   21.106 0.000000 21.10634 
1 1 1   13   33    4 o   87.444   25.495  3524.24  1921.49   0.0000   0.0000  3524.24  1921.49  ?   ?    87.444   25.495 0.000000 25.49477 
1 1 1   13   33    5 o  231.229   20.102 23323.30  3736.66 26557.66  7955.98 22407.91  4232.53  217.668   46.431  223.704   23.661 -6.036804 52.11255 
1 1 1   13   33    6 f  207.694   20.319 18945.47  3382.65 25223.26  7301.31 17229.74  3817.00  214.341   43.440  194.583   24.717 19.75787 49.97949 
1 1 1   13   33    7 o  192.776   22.024 16643.94  3385.42 23040.22  7276.16 14876.68  3824.62  199.207   45.925  177.848   27.362 21.35899 53.45795 
1 1 1   13   33    8 o   89.629   28.404  3892.00  2319.00  8469.94  5753.15  3003.89  2533.97  118.448   44.344   81.390   29.611 37.05733 53.32159 
1 1 1   13   33    9 o   56.724   11.426  1390.19  508.090  515.964  6180.33  1396.14  509.815   84.516   38.933   56.845   11.442 27.67168 40.57958 
1 1 1   13   33   10 o   82.653   10.365  2890.43  680.299  6198.50  6922.68  2858.18  683.608  102.221   44.515   82.145   10.489 20.07655 45.73375 
1 1 1   13   33   11 o   53.481   12.347  1257.59  525.301 -1946.3240  5821.80  1283.89  527.453   73.071   34.913   54.055   12.295 19.01512 37.01442 
1 1 1   13   33   12 o   47.578   13.814  1002.73  565.175  1571.69  7479.77  999.466  566.795   83.387   39.767   47.510   13.845 35.87679 42.10852 
1 1 1   13   33   13 o   24.415   11.511 -587.8447  592.828   0.0000   0.0000 -587.8447  592.828  ?   ?    24.415   11.511 0.000000 11.51075 
1 1 1   13   33   14 o   88.647   14.002  3550.83  974.364   0.0000   0.0000  3550.83  974.364  ?   ?    88.647   14.002 0.000000 14.00178 
1 1 1   13   33   15 o   35.646   14.866  277.978  715.496   0.0000   0.0000  277.978  715.496  ?   ?    35.646   14.866 0.000000 14.86637 
1 1 1   13   35    0 o  125.357   26.569  7464.17  2620.38   0.0000   0.0000  7464.17  2620.38  ?   ?   125.357   26.569 0.000000 26.56925 
1 1 1   13   35    1 o   71.223   28.217  1798.21  2425.51   0.0000   0.0000  1798.21  2425.51  ?   ?    71.223   28.217 0.000000 28.21659 
1 1 1   13   35    2 o  129.030   31.644  8377.27  3289.96   0.0000   0.0000  8377.27  3289.96  ?   ?   129.030   31.644 0.000000 31.64369 
1 1 1   13   35    3 o  166.448   26.935 13115.72  3515.96   0.0000   0.0000 13115.72  3515.96  ?   ?   166.448   26.935 0.000000 26.93544 
1 1 1   13   35    4 o   68.300   28.128  1374.73  2516.40   0.0000   0.0000  1374.73  2516.40  ?   ?    68.300   28.128 0.000000 28.12779 
1 1 1   13   35    5 o  183.081   27.368 16078.16  3943.51   0.0000   0.0000 16078.16  3943.51  ?   ?   183.081   27.368 0.000000 27.36759 
1 1 1   13   35    6 o  284.044   24.083 37481.04  5502.12 39192.68 11658.22 36990.54  6240.89  214.750   62.852  275.834   28.264 -61.08385 68.91463 
1 1 1   13   35    7 o   68.852   28.246  1616.33  2525.55  6685.69  6847.03  818.013  2717.15  103.741   44.722   65.109   28.120 38.63205 52.82792 
1 1 1   13   35    8 o   92.216   31.171  4537.93  2773.39 -841.9608  7725.11  5333.93  2971.48   82.993   39.804   98.704   32.235 -15.71072 51.21953 
1 1 1   13   35    9 o   64.733   10.484  1799.78  532.185  3548.70  7660.22  1791.29  533.474   89.814   42.037   64.558   10.541 25.25547 43.33822 
1 1 1   13   35   10 o   37.139   11.951  580.100  409.294  2880.70  8655.90  574.944  409.753   86.201   41.545   37.017   11.962 49.18381 43.23238 
1 1 1   13   35   11 o   61.346   13.310  1692.23  643.941   0.0000   0.0000  1692.23  643.941  ?   ?    61.346   13.310 0.000000 13.31032 
1 1 1   13   35   12 o   38.058   14.055  553.529  574.095   0.0000   0.0000  553.529  574.095  ?   ?    38.058   14.055 0.000000 14.05512 
1 1 1   13   35   13 o   44.991   14.875  920.562  632.069   0.0000   0.0000  920.562  632.069  ?   ?    44.991   14.875 0.000000 14.87540 
1 1 1   13   35   14 o   37.985   14.839  531.877  662.504   0.0000   0.0000  531.877  662.504  ?   ?    37.985   14.839 0.000000 14.83875 
1 1 1   13   37    0 o   84.032   31.741  3512.75  2961.45   0.0000   0.0000  3512.75  2961.45  ?   ?    84.032   31.741 0.000000 31.74129 
1 1 1   13   37    1 o  158.440   32.090 13238.78  3986.78   0.0000   0.0000 13238.78  3986.78  ?   ?   158.440   32.090 0.000000 32.08998 
1 1 1   13   37    2 o  234.558   29.669 27911.35  5524.27   0.0000   0.0000 27911.35  5524.27  ?   ?   234.558   29.669 0.000000 29.66938 
1 1 1   13   37    3 o  125.509   35.912  9140.66  3844.93   0.0000   0.0000  9140.66  3844.93  ?   ?   125.509   35.912 0.000000 35.91192 
1 1 1   13   37    4 o  182.919   31.954 17811.75  4573.21   0.0000   0.0000 17811.75  4573.21  ?   ?   182.919   31.954 0.000000 31.95393 
1 1 1   13   37    5 o   64.461   28.332  771.742  2862.41   0.0000   0.0000  771.742  2862.41  ?   ?    64.461   28.332 0.000000 28.33192 
1 1 1   13   37    6 o  110.047   34.387  7272.30  3410.37  9581.49  8671.27  6849.75  3709.30  102.332   46.758  104.525   36.034 -2.193329 59.03202 
1 1 1   13   37    7 o   91.586   34.136  5163.76  3401.95 10318.30  9982.96  4486.53  3618.54   98.654   46.729   86.544   34.408 12.10942 58.03050 
1 1 1   13   37    8 o  147.238   32.662 12758.10  3802.58 27055.90 11173.42 10885.20  4043.98  124.921   55.390  128.109   36.881 -3.188202 66.54551 
1 1 1   13   37    9 o  186.954   35.456 22220.39  5185.30   0.0000   0.0000 22220.39  5185.30  ?   ?   186.954   35.456 0.000000 35.45594 
1 1 1   13   37   10 o   83.222   10.719  3019.22  707.478   0.0000   0.0000  3019.22  707.478  ?   ?    83.222   10.719 0.000000 10.71885 
1 1 1   13   37   11 o   88.913   12.018  3533.67  845.390   0.0000   0.0000  3533.67  845.390  ?   ?    88.913   12.018 0.000000 12.01790 
1 1 1   13   37   12 o   24.107   10.799 -121.7064  436.112   0.0000   0.0000 -121.7064  436.112  ?   ?    24.107   10.799 0.000000 10.79905 
1 1 1   13   39    0 f   45.582   22.279 -3439.1909  2731.62   0.0000   0.0000 -3439.1909  2731.62  ?   ?    45.582   22.279 0.000000 22.27919 
1 1 1   13   39    1 o   83.512   37.879  4160.74  5559.39   0.0000   0.0000  4160.74  5559.39  ?   ?    83.512   37.879 0.000000 37.87911 
1 1 1   13   39    2 o  132.823   51.369 19891.85  7878.42   0.0000   0.0000 19891.85  7878.42  ?   ?   132.823   51.369 0.000000 51.36948 
1 1 1   13   39    3 o   66.105   32.352 -2723.7261  5816.28   0.0000   0.0000 -2723.7261  5816.28  ?   ?    66.105   32.352 0.000000 32.35213 
1 1 1   13   39    4 o   79.567   38.392  3060.20  7442.32   0.0000   0.0000  3060.20  7442.32  ?   ?    79.567   38.392 0.000000 38.39151 
1 1 1   13   39    5 f   82.923   34.065  4711.62  3679.49   0.0000   0.0000  4711.62  3679.49  ?   ?    82.923   34.065 0.000000 34.06506 
1 1 1   13   39    6 o   64.186   29.270  1265.86  3376.54   0.0000   0.0000  1265.86  3376.54  ?   ?    64.186   29.270 0.000000 29.26963 
1 1 1   13   39    7 o   69.346   29.241  2821.28  2815.57   0.0000   0.0000  2821.28  2815.57  ?   ?    69.346   29.241 0.000000 29.24134 
1 1 1   13   39    8 o   80.150   34.686  5838.33  4150.96   0.0000   0.0000  5838.33  4150.96  ?   ?    80.150   34.686 0.000000 34.68607 
1 1 1   13   39    9 o   65.609   30.323  2887.53  3794.47   0.0000   0.0000  2887.53  3794.47  ?   ?    65.609   30.323 0.000000 30.32309 
1 1 1   13   41    0 o   66.378   30.409  2400.92  3699.44   0.0000   0.0000  2400.92  3699.44  ?   ?    66.378   30.409 0.000000 30.40858 
1 1 1   13   41    1 o  108.214   41.128 12581.61  4991.40   0.0000   0.0000 12581.61  4991.40  ?   ?   108.214   41.128 0.000000 41.12813 
1 1 1   13   41    2 o   55.819   27.003 -850.6943  3741.90   0.0000   0.0000 -850.6943  3741.90  ?   ?    55.819   27.003 0.000000 27.00336 
1 1 1   13   41    3 o   68.702   31.868  3321.62  4247.14   0.0000   0.0000  3321.62  4247.14  ?   ?    68.702   31.868 0.000000 31.86790 
1 1 1   13   41    4 o   54.594   26.600 -1000.8260  3807.04   0.0000   0.0000 -1000.8260  3807.04  ?   ?    54.594   26.600 0.000000 26.60015 
1 1 1   13   41    5 o   47.442   22.848 -1054.1930  2606.59   0.0000   0.0000 -1054.1930  2606.59  ?   ?    47.442   22.848 0.000000 22.84775 
1 1 1   14    0    2 o  199.869   11.231 16387.86  1809.53 16577.99  2584.24 16204.97  2534.61  199.930   16.162  197.658   16.036 0.000000 0.000000 
1 1 1   14    0    3 o   90.145   7.1958  3362.88  518.975  3832.26  747.658  2926.43  720.954   95.627   9.8699   82.616   11.358 0.000000 0.000000 
1 1 1   14    0    4 o  534.447   26.173 117224.50 11295.91 114794.30 15994.65 119642.60 15955.09  525.683   37.926  537.125   36.986 0.000000 0.000000 
1 1 1   14    0    5 o  1152.23   81.171 561659.12 75075.85 561659.12 75075.85   0.0000   0.0000  1152.23   81.171  1152.23   81.171 0.000000 0.000000 
1 1 1   14    0    6 o  946.056   45.781 368575.81 34979.50 357186.81 49482.65 379951.69 49454.35  923.778   66.772  954.112   64.513 0.000000 0.000000 
1 1 1   14    0    7 o  406.210   20.209 67570.11  6627.82 63896.81  9384.13 71226.28  9362.23  392.838   29.815  415.549   28.040 0.000000 0.000000 
1 1 1   14    0    8 o  966.474   67.265 389705.81 52198.90   0.0000   0.0000 389705.81 52198.90  966.474   67.265  966.474   67.265 0.000000 0.000000 
1 1 1   14    0    9 o  873.210   41.912 313549.50 29560.13 357526.59 41818.69 269632.69 41790.00  928.520   55.933  801.466   65.210 0.000000 0.000000 
1 1 1   14    0   10 o  714.410   34.473 209876.30 19891.06 237387.70 28147.00 182430.50 28113.45  756.500   46.218  659.436   53.307 0.000000 0.000000 
1 1 1   14    0   11 o  167.979   10.333 11594.41  1397.09 12249.36  2017.78 10991.27  1936.32  171.694   14.723  162.363   14.981 0.000000 0.000000 
1 1 1   14    0   12 o  668.302   47.523 188111.59 25488.49 188111.59 25488.49   0.0000   0.0000  668.302   47.523  668.302   47.523 0.000000 0.000000 
1 1 1   14    0   13 o  223.443   12.613 20499.60  2271.72 20101.46  3248.55 20880.63  3178.01  219.789   18.505  224.322   17.702 0.000000 0.000000 
1 1 1   14    0   14 o   17.113   11.284 -86.3534  402.548  508.192  549.067 -777.3365  591.925   29.762   16.153   15.685   11.119 0.000000 0.000000 
1 1 1   14    0   15 o  647.527   31.859 174216.91 16657.97 183257.30 23601.53 165242.91 23514.56  657.102   44.711  621.964   47.187 0.000000 0.000000 
1 1 1   14    0   16 o  220.028   13.093 19926.61  2320.19 17514.70  3345.52 22161.67  3220.53  203.817   20.705  231.044   17.394 0.000000 0.000000 
1 1 1   14    0   17 o  434.131   21.988 77999.76  7705.43 81240.47 10976.84 74851.50 10819.13  439.008   31.154  420.645   32.107 0.000000 0.000000 
1 1 1   14    0   18 o  247.720   14.357 25344.90  2865.62 23562.00  4168.45 26942.49  3945.89  235.847   22.221  253.757   19.412 0.000000 0.000000 
1 1 1   14    0   19 o  221.311   13.647 20304.44  2430.98 23258.99  3721.69 18105.77  3210.52  234.508   19.874  206.464   19.554 0.000000 0.000000 
1 1 1   14    0   20 o   27.017   16.156  321.885  629.852 -3188.5249  1688.37  889.406  678.859   23.366   16.903   38.159   18.602 0.000000 0.000000 
1 1 1   14    0   21 o   21.917   14.608 -204.9809  705.291  1578.98  1906.32 -487.8976  759.159   51.360   29.253   20.624   14.140 0.000000 0.000000 
1 1 1   14    0   22 f   18.177   12.949 -1164.4490  839.126  1539.59  1652.50 -2103.9490  974.052   49.541   27.618   16.954   12.337 0.000000 0.000000 
1 1 1   14    0   23 o   73.485   21.687  2810.28  1124.95  2245.04  2222.40  3005.00  1304.40   57.252   31.988   74.067   24.422 0.000000 0.000000 
1 1 1   14    0   24 o   82.236   22.292  3489.58  1286.60  7973.22  3045.01  2515.15  1419.54  115.260   36.901   62.473   27.091 0.000000 0.000000 
1 1 1   14    0   25 o   55.367   25.730  2104.39  1282.95   0.0000   0.0000  2104.39  1282.95   55.367   25.730   55.367   25.730 0.000000 0.000000 
1 1 1   14    2    0 o  758.784   54.602 247432.41 33415.93   0.0000   0.0000 247432.41 33415.93  ?   ?   758.784   54.602 0.000000 54.60217 
1 1 1   14    2    2 o  349.312   12.125 49650.89  3438.94 49236.26  4861.83 50066.07  4864.98  347.447   17.233  350.375   17.101 -2.927979 24.27796 
1 1 1   14    2    4 o  997.604   70.980 426292.41 57120.01 426292.41 57120.01   0.0000   0.0000  997.604   70.980  ?   ?  0.000000 70.97975 
1 1 1   14    2    5 o  493.247   16.805 98992.53  6730.58 99758.91  9528.12 98229.24  9508.86  494.608   23.725  490.789   23.861 3.819183 33.64886 
1 1 1   14    2    6 o  1083.98   36.492 481255.91 32119.07 480356.09 45433.47 482154.91 45413.00  1078.14   51.899  1080.20   51.777 -2.061646 73.31018 
1 1 1   14    2    7 o  541.324   18.514 119204.60  8137.41 119041.10 11519.66 119367.40 11496.45  540.406   26.253  541.154   26.164 -0.7474976 37.06458 
1 1 1   14    2    8 f  1038.72   40.524 442111.69 34178.73 381033.59 59207.02 472638.69 41857.49  949.950   77.434  1071.97   48.090 -122.0215 91.15138 
1 1 1   14    2    9 o  892.763   29.965 325505.81 21721.41 334332.31 30729.83 316692.09 30707.61  902.228   41.947  877.826   43.082 24.40204 60.13052 
1 1 1   14    2   10 o  159.223   6.8846 10297.32  890.074 10173.96  1264.98 10418.28  1252.62  157.917   9.9158  159.826   9.6982 -1.909134 13.87005 
1 1 1   14    2   11 o  314.933   11.216 40341.91  2868.19 41814.21  4064.04 38880.83  4048.48  320.348   15.624  308.442   16.222 11.90601 22.52275 
1 1 1   14    2   12 o   22.744   9.9628 -87.8298  351.337  415.079  452.507 -851.1550  557.488   34.893   12.539   21.992   10.585 12.90098 16.40911 
1 1 1   14    2   13 o  240.555   9.2739 23537.04  1811.40 24476.55  2568.36 22607.22  2555.09  244.750   12.970  235.134   13.439 9.616226 18.67690 
1 1 1   14    2   14 f  553.836   19.001 125676.80  8544.80 125223.00 12090.01 126129.80 12078.35  550.258   27.060  552.293   26.934 -2.035767 38.17933 
1 1 1   14    2   15 o  416.307   14.694 70821.50  4967.14 69637.22  7027.85 72003.59  7021.34  410.866   21.138  418.440   20.666 -7.573242 29.56128 
1 1 1   14    2   16 o  240.637   9.4452 23584.88  1845.50 22929.58  2607.56 24242.58  2612.31  236.473   13.638  243.232   13.277 -6.759750 19.03397 
1 1 1   14    2   17 f  346.839   12.674 49201.38  3569.23 50131.62  5051.23 48273.77  5044.07  348.384   17.917  341.743   18.244 6.640747 25.57084 
1 1 1   14    2   18 o   88.208   7.9206  3197.50  561.242  3262.43  787.301  3130.40  800.291   88.581   11.196   86.652   11.671 1.929405 16.17325 
1 1 1   14    2   19 o  164.698   8.5600 11123.04  1140.79 11305.72  1631.61 10948.34  1595.62  165.199   12.251  162.573   12.176 2.625885 17.27278 
1 1 1   14    2   20 o   79.540   9.8482  2639.71  622.436  2664.29  857.323  2612.31  905.138   78.924   13.885   77.878   14.856 1.046448 20.33481 
1 1 1   14    2   21 o   31.694   12.791  198.413  507.879 -476.1456  625.757  1500.47  869.385   26.710   12.334   58.672   17.161 -31.96249 21.13368 
1 1 1   14    2   22 o  128.775   9.9016  6913.92  1027.39  5717.29  1383.47  8385.24  1534.06  114.975   15.191  140.321   13.636 -25.34635 20.41397 
1 1 1   14    2   23 o  137.611   9.9472  7941.34  1103.97  8185.42  1585.73  7711.77  1537.87  137.369   14.433  133.295   14.440 4.074310 20.41599 
1 1 1   14    2   24 o   35.536   13.645  409.308  552.955  960.792  689.859 -581.7263  924.780   46.957   15.541   32.325   14.950 14.63190 21.56486 
1 1 1   14    2   25 o   31.346   14.641 -627.2048  921.456   0.0000   0.0000 -627.2048  921.456  ?   ?    31.346   14.641 0.000000 14.64148 
1 1 1   14    4    0 o  883.991   64.136 339903.81 45721.74   0.0000   0.0000 339903.81 45721.74  ?   ?   883.991   64.136 0.000000 64.13608 
1 1 1   14    4    2 o  826.836   58.971 291958.59 39331.71 291958.59 39331.71   0.0000   0.0000  826.836   58.971  ?   ?  0.000000 58.97145 
1 1 1   14    4    3 o  332.308   11.160 44894.45  3011.33 43572.27  4263.81 46210.27  4253.53  327.136   16.052  336.923   15.548 -9.787170 22.34759 
1 1 1   14    4    4 o  459.508   15.874 85913.52  5922.62 88707.40  8386.38 83133.65  8365.36  466.429   22.144  450.894   22.925 15.53513 31.87304 
1 1 1   14    4    5 o  886.709   29.910 321297.91 21534.67 323531.69 30466.26 319067.59 30442.99  886.902   42.306  880.690   42.572 6.211853 60.01845 
1 1 1   14    4    6 o  757.182   25.700 233734.50 15800.46 233925.91 22356.71 233543.50 22333.77  755.903   36.425  755.287   36.418 0.6167603 51.50776 
1 1 1   14    4    7 o  851.527   33.202 296222.81 22956.41 291538.50 39759.31 298565.31 28116.59  837.263   58.858  853.578   40.568 -16.31598 71.48466 
1 1 1   14    4    8 o  1022.62   34.360 427473.41 28530.33 432644.91 40360.24 422308.00 40335.73  1025.34   48.478  1012.86   49.046 12.48358 68.96132 
1 1 1   14    4    9 o  1040.45   34.858 443302.91 29448.79 440978.31 41659.04 445624.69 41634.73  1033.16   49.660  1038.69   49.366 -5.534546 70.02246 
1 1 1   14    4   10 o  363.991   12.580 53880.32  3718.09 55655.76  5269.83 52120.52  5246.59  369.640   17.558  357.212   18.149 12.42834 25.25192 
1 1 1   14    4   11 o  647.371   25.446 171899.50 13375.29 157136.41 16385.99 201375.00 23153.47  616.017   32.879  693.792   41.287 -77.77521 52.77917 
1 1 1   14    4   12 o  600.886   23.814 148209.91 11618.75 151130.91 20187.79 146763.20 14207.71  598.692   41.791  596.254   29.346 2.438049 51.06537 
1 1 1   14    4   13 o  473.371   16.335 91517.05  6278.69 88948.63  8890.28 94072.92  8868.59  464.594   23.645  478.584   22.822 -13.99033 32.86252 
1 1 1   14    4   14 o  297.515   10.999 36049.69  2657.15 35136.48  3768.30 36952.78  3747.35  292.793   15.910  300.373   15.417 -7.580170 22.15432 
1 1 1   14    4   15 f  407.979   14.467 68014.43  4792.27 67292.23  6788.92 68731.70  6765.71  403.913   20.771  408.825   20.382 -4.912354 29.10023 
1 1 1   14    4   16 o  352.779   12.739 50830.85  3648.92 50531.77  5171.53 51127.36  5149.24  350.178   18.251  352.295   18.062 -2.117584 25.67771 
1 1 1   14    4   17 o  179.277   8.2670 13091.48  1203.40 13386.20  1705.68 12799.37  1698.08  180.617   11.693  176.561   11.914 4.056808 16.69390 
1 1 1   14    4   18 o  153.094   8.0906  9586.51  1002.15 10998.23  1478.92  8387.94  1362.71  163.480   11.209  142.538   11.883 20.94305 16.33525 
1 1 1   14    4   19 o  152.272   8.1902  9506.44  1008.92  8000.15  1412.13 11077.11  1441.99  138.663   12.683  163.814   10.903 -25.15094 16.72528 
1 1 1   14    4   20 o  226.863   9.7485 21167.38  1795.73 19915.52  2531.60 22435.09  2547.56  217.973   14.385  231.784   13.596 -13.81075 19.79317 
1 1 1   14    4   21 o  205.971   9.6648 17505.49  1616.37 16021.68  2240.12 19117.07  2334.58  194.746   14.266  213.203   13.556 -18.45638 19.67956 
1 1 1   14    4   22 o  108.472   9.3539  4904.08  815.793  5618.51  1078.56  3948.89  1247.12  115.360   11.675   94.489   16.874 20.87158 20.51964 
1 1 1   14    4   23 o  145.010   13.349  9043.84  1554.16  8632.22  3542.54  9141.94  1729.48  123.497   34.172  144.811   14.923 -21.31390 37.28811 
1 1 1   14    4   24 o   32.733   15.416 -909.6427  1057.96   0.0000   0.0000 -909.6427  1057.96  ?   ?    32.733   15.416 0.000000 15.41557 
1 1 1   14    4   25 o   95.386   12.365  4058.12  935.145  2882.11  1165.60  6182.43  1566.58   75.620   19.006  113.287   17.602 -37.66729 25.90450 
1 1 1   14    6    0 o  702.190   34.193 203215.00 19495.39 204541.09 27589.84 201892.50 27551.49  697.446   49.031  692.765   49.302 4.681458 69.53217 
1 1 1   14    6    1 o  531.797   26.051 115756.50 11248.79 116868.20 15917.92 114647.50 15898.47  530.885   37.162  525.697   37.492 5.187744 52.78858 
1 1 1   14    6    2 o  663.391   32.219 180635.09 17354.59 178495.30 24558.59 182769.50 24527.64  654.059   46.547  662.122   45.906 -8.062378 65.37572 
1 1 1   14    6    3 o  539.030   21.465 118444.70  9394.89 114710.90 16333.35 120290.90 11484.99  526.742   38.455  542.687   26.064 -15.94519 46.45543 
1 1 1   14    6    4 o  596.675   19.968 144976.50  9674.21 145209.09 13679.19 144743.70 13683.60  596.251   28.255  595.288   28.310 0.9634399 39.99718 
1 1 1   14    6    5 o  1187.76   46.185 580846.38 44541.86 602328.69 77219.68 570134.69 54527.40  1190.46   80.357  1172.36   57.282 18.09985 98.68360 
1 1 1   14    6    6 o  271.205   9.2956 29876.26  2046.99 34228.41  2905.52 25587.25  2884.36  290.231   12.329  250.494   14.240 39.73683 18.83590 
1 1 1   14    6    7 o  1090.27   35.975 486115.19 31847.62 510859.31 45048.77 461391.81 45029.92  1113.98   49.804  1057.89   52.423 56.09521 72.30935 
1 1 1   14    6    8 o  1051.43   35.121 452257.59 29983.84 456362.59 42415.94 448157.41 42391.18  1052.20   49.647  1042.56   50.077 9.638916 70.51617 
1 1 1   14    6    9 o  168.738   7.0129 11564.15  960.839 11512.57  1368.02 11614.37  1349.83  168.024   10.074  168.781   9.8928 -0.7570496 14.11903 
1 1 1   14    6   10 o  699.344   23.506 199944.41 13347.66 201939.20 18892.06 197956.30 18860.86  700.408   33.219  693.386   33.500 7.022400 47.17825 
1 1 1   14    6   11 o  483.874   19.088 95661.76  7499.67 87466.95  9191.54 111983.50 12971.85  461.076   24.641  520.005   30.861 -58.92941 39.49102 
1 1 1   14    6   12 o  396.353   16.015 64111.14  5154.04 70600.95  9019.15 60964.14  6280.56  413.107   27.038  385.409   20.140 27.69879 33.71392 
1 1 1   14    6   13 o  633.561   21.810 164776.80 11219.67 162624.00 15881.73 166921.70 15852.34  625.786   31.256  634.214   30.784 -8.427673 43.86991 
1 1 1   14    6   14 o  187.168   7.9546 14247.02  1208.89 13646.30  1714.21 14841.37  1705.08  182.635   11.620  190.559   11.068 -7.924545 16.04728 
1 1 1   14    6   15 o  347.154   12.561 49178.29  3540.75 47184.82  5020.89 51150.46  4993.98  338.592   18.331  353.217   17.413 -14.62497 25.28296 
1 1 1   14    6   16 o  432.082   15.317 76490.54  5373.63 74872.11  7616.69 78094.40  7582.34  424.838   22.157  434.681   21.483 -9.843079 30.86182 
1 1 1   14    6   17 o  168.913   8.0546 11622.59  1104.70 11806.62  1567.16 11440.84  1557.45  169.576   11.449  166.898   11.564 2.677765 16.27278 
1 1 1   14    6   18 o   74.293   8.7719  2285.08  518.941  2776.37  704.063  1700.71  767.868   81.615   10.896   62.922   15.200 18.69287 18.70218 
1 1 1   14    6   19 o   77.531   9.4084  2499.50  580.152  2453.28  773.558  2558.92  877.074   76.015   13.000   77.310   14.505 -1.294029 19.47815 
1 1 1   14    6   20 o  222.048   9.7815 20292.88  1763.57 21904.99  2505.83 18710.71  2482.45  228.911   13.542  211.018   14.578 17.89250 19.89725 
1 1 1   14    6   21 o  104.310   12.735  4608.85  1056.24  5574.24  2274.71  4343.49  1192.60  108.713   26.100  100.393   15.098 8.319725 30.15182 
1 1 1   14    6   22 o  201.495   12.536 17146.22  2040.76 20871.58  4238.11 16021.68  2328.49  210.722   25.274  193.177   14.962 17.54457 29.37069 
1 1 1   14    6   23 o   61.373   13.484  1669.96  653.596  1627.06  766.927  1783.81  1249.29   60.005   15.597   62.563   20.922 -2.557365 26.09575 
1 1 1   14    6   24 f   47.668   14.496  1021.20  610.978  466.839  758.408  2046.22  1031.27   39.576   15.747   65.279   18.571 -25.70297 24.34838 
1 1 1   14    6   25 f   63.317   16.183  1944.28  835.160  1745.63  961.464  2554.87  1685.64   59.039   18.227   67.147   24.193 -8.107677 30.29056 
1 1 1   14    8    0 o  420.736   21.000 72162.81  7173.97   0.0000   0.0000 72162.81  7173.97  ?   ?   420.736   21.000 0.000000 20.99961 
1 1 1   14    8    1 o  606.626   29.561 150556.20 14560.56 146182.50 20605.96 154918.00 20577.56  593.726   43.035  611.684   41.680 -17.95764 59.91032 
1 1 1   14    8    2 o  571.183   27.857 133280.50 12919.65 128963.00 18280.79 137589.00 18261.51  558.498   40.590  577.310   39.189 -18.81195 56.42094 
1 1 1   14    8    3 o  741.525   28.085 224517.80 16909.55 228555.80 29392.58 222520.20 20673.28  742.295   49.043  737.140   34.540 5.155518 59.98518 
1 1 1   14    8    4 o  804.189   30.217 264138.41 19730.72 290218.50 34257.51 251192.70 24135.94  836.987   50.646  782.880   37.969 54.10663 63.29863 
1 1 1   14    8    5 o  1062.80   50.758 465661.19 43802.52   0.0000   0.0000 465661.19 43802.52  ?   ?   1062.80   50.758 0.000000 50.75846 
1 1 1   14    8    6 o  712.866   24.256 207000.30 14040.21 220862.30 19857.54 193143.09 19854.15  735.272   33.261  686.344   35.750 48.92810 48.83006 
1 1 1   14    8    7 o  577.932   18.677 135882.91  8764.36 145181.70 12400.38 126601.30 12388.98  596.837   25.588  557.181   27.384 39.65613 37.47877 
1 1 1   14    8    8 o  711.776   27.130 206784.41 15679.29 217801.70 19203.99 184755.59 27154.90  729.660   32.414  666.614   50.545 63.04620 60.04565 
1 1 1   14    8    9 o  633.880   21.524 163926.20 11077.99 165203.80 15672.87 162650.59 15660.43  634.804   30.407  629.836   30.622 4.968079 43.15436 
1 1 1   14    8   10 o  477.717   18.636 93143.87  7228.80 88872.13  8857.78 101662.30 12508.39  465.326   23.520  495.781   31.232 -30.45523 39.09770 
1 1 1   14    8   11 o  260.440   9.8232 27588.17  2077.30 25520.96  2944.47 29636.62  2931.08  249.796   14.581  269.724   13.383 -19.92793 19.79166 
1 1 1   14    8   12 f  451.008   18.323 83179.22  6710.11 81974.33 11746.86 83762.79  8175.16  443.069   32.887  451.808   22.285 -8.738983 39.72581 
1 1 1   14    8   13 o  486.039   16.644 96569.46  6568.69 93738.50  9307.03 99379.23  9272.14  476.480   24.135  491.463   23.235 -14.98279 33.50198 
1 1 1   14    8   14 o  112.581   6.7152  5170.74  611.060  5042.58  861.333  5300.59  867.033  110.879   9.6638  113.723   9.4759 -2.844330 13.53442 
1 1 1   14    8   15 o  128.994   7.1842  6788.36  749.479  7091.43  1057.57  6482.57  1062.30  131.564   9.9741  125.689   10.505 5.874527 14.48602 
1 1 1   14    8   16 o  423.832   14.889 73613.57  5123.80 72174.99  7266.19 75036.40  7226.27  417.036   21.532  425.992   20.892 -8.955963 30.00135 
1 1 1   14    8   17 f  288.836   10.690 34097.08  2507.12 32939.94  3560.62 35234.89  3530.77  282.423   15.587  292.327   14.925 -9.903168 21.58051 
1 1 1   14    8   18 o  238.874   9.8029 23361.79  1901.35 25819.06  2731.24 21051.14  2648.51  249.834   13.514  225.173   14.564 24.66054 19.86805 
1 1 1   14    8   19 o  216.171   11.518 19325.87  2014.44 19043.08  3966.23 19424.17  2338.52  208.493   23.858  216.028   13.398 -7.534973 27.36275 
1 1 1   14    8   20 o   80.645   13.428  2779.61  848.362  3865.90  2300.53  2608.63  912.688   91.270   28.197   77.619   15.025 13.65123 31.95053 
1 1 1   14    8   21 o  136.924   10.129  7802.62  1118.10  7880.08  1354.58  7637.03  1980.62  136.812   12.326  131.505   19.108 5.306503 22.73897 
1 1 1   14    8   22 o  102.823   11.065  4468.70  909.236  4842.62  1070.58  3501.00  1722.28  106.470   12.630   85.449   23.892 21.02039 27.02486 
1 1 1   14    8   23 o   73.126   11.149  2303.83  641.031  1638.24  777.979  3711.25  1131.30   60.028   15.761   90.897   15.908 -30.86847 22.39300 
1 1 1   14    8   24 o   32.360   13.017  263.327  524.132  253.449  607.624  292.045  1036.04   33.873   13.871   41.469   17.625 -7.595676 22.42830 
1 1 1   14    8   25 o   77.942   13.637  2810.42  831.620  3037.84  991.318  2270.15  1527.92   79.407   15.929   63.664   23.019 15.74342 27.99290 
1 1 1   14   10    0 o  251.286   13.856 25749.08  2816.30   0.0000   0.0000 25749.08  2816.30  ?   ?   251.286   13.856 0.000000 13.85650 
1 1 1   14   10    1 o  691.948   27.471 195409.50 15434.18 212155.50 26729.17 187033.00 18904.20  716.130   46.215  675.052   34.606 41.07764 57.73504 
1 1 1   14   10    2 o  1234.97   59.843 633946.88 60007.73 640001.38 84875.63 627895.81 84851.86  1223.22   86.002  1210.92   86.877 12.29956 122.2454 
1 1 1   14   10    3 o  252.262   13.807 25943.35  2817.41 26885.89  4013.78 25027.90  3955.69  256.306   19.431  247.190   19.876 9.115707 27.79652 
1 1 1   14   10    4 o  1190.71   83.889 601925.31 80587.05   0.0000   0.0000 601925.31 80587.05  ?   ?   1190.71   83.889 0.000000 83.88934 
1 1 1   14   10    5 o  652.300   23.704 173297.09 12554.54 221839.50 21857.18 149396.50 15336.94  736.408   36.554  604.126   31.374 132.2822 48.17196 
1 1 1   14   10    6 o  766.921   30.793 240145.30 19175.25 232690.41 33324.47 243835.30 23445.50  748.321   55.235  771.752   37.415 -23.43079 66.71449 
1 1 1   14   10    7 o  564.690   17.199 129729.60  7885.94 136626.41 11154.51 122838.00 11150.29  578.958   23.728  548.845   25.021 30.11334 34.48275 
1 1 1   14   10    8 o  887.631   35.181 323759.81 25356.23 339661.69 31051.37 291934.31 43928.32  906.791   42.173  828.235   65.865 78.55591 78.20985 
1 1 1   14   10    9 o  240.547   9.5703 23521.51  1869.23 23656.02  2292.43 23254.64  3228.90  241.158   11.707  238.278   16.797 2.879990 20.47407 
1 1 1   14   10   10 o  201.911   8.7642 16574.13  1436.85 18202.39  2027.49 14931.26  2036.56  211.142   11.874  191.022   13.212 20.11986 17.76361 
1 1 1   14   10   11 o  415.339   13.737 70306.01  4632.56 65367.68  6559.60 75219.81  6543.28  399.071   20.311  428.888   18.789 -29.81726 27.66893 
1 1 1   14   10   12 o  223.555   10.196 20338.97  1850.83 24783.87  3375.59 18428.27  2213.17  245.668   17.027  212.253   12.903 33.41470 21.36398 
1 1 1   14   10   13 o  495.482   17.251 100471.80  6940.33 106688.30  9830.35 94293.77  9799.94  508.750   23.797  477.154   25.386 31.59656 34.79581 
1 1 1   14   10   14 o  138.814   7.3272  7858.08  822.944  8700.49  1157.15  6995.98  1170.60  145.841   9.8291  130.544   11.151 15.29762 14.86430 
1 1 1   14   10   15 o  290.789   11.259 34492.27  2658.46 35692.91  3776.89 33313.35  3742.59  294.713   15.841  284.597   16.263 10.11542 22.70345 
1 1 1   14   10   16 o   35.311   11.271  497.984  364.623  135.882  466.579  1066.05  584.399   29.908   12.190   50.250   13.869 -20.34183 18.46493 
1 1 1   14   10   17 o  105.775   10.574  4622.02  895.981  2857.37  2209.61  4969.27  980.181   83.346   27.825  109.608   11.170 -26.26215 29.98276 
1 1 1   14   10   18 o  171.961   10.257 12173.69  1425.61 16183.66  2913.44 10911.28  1634.69  195.511   18.576  162.211   12.508 33.29973 22.39425 
1 1 1   14   10   19 o  154.843   9.6098  9888.54  1202.25 11001.09  1505.58  7930.75  1997.22  162.832   11.461  135.624   18.628 27.20798 21.87153 
1 1 1   14   10   20 o  325.941   14.256 44589.42  3773.00 44470.82  4668.24 44812.82  6407.17  322.050   17.923  315.247   25.243 6.802368 30.95855 
1 1 1   14   10   21 o   43.798   10.616  828.167  373.579  1418.73  409.758 -2080.0730  909.307   57.977   8.9958   24.408   12.104 33.56908 15.08082 
1 1 1   14   10   22 o  107.131   9.1501  4796.83  788.304  5279.63  1015.43  4064.51  1250.61  111.594   11.365   95.407   16.755 16.18756 20.24597 
1 1 1   14   10   23 o   99.129   10.131  4173.88  803.955  3923.61  999.953  4631.40  1352.00   94.562   13.398  100.640   17.161 -6.078415 21.77152 
1 1 1   14   10   24 o   36.549   12.865  541.551  474.025  996.600  516.419 -1893.5861  1194.64   46.821   13.080   29.993   14.675 16.82801 19.65820 
1 1 1   14   10   25 o   60.569   16.129  1822.96  807.337  1822.96  807.337   0.0000   0.0000   60.569   16.129  ?   ?  0.000000 16.12864 
1 1 1   14   12    0 o  552.100   27.083 124305.60 12141.10   0.0000   0.0000 124305.60 12141.10  ?   ?   552.100   27.083 0.000000 27.08334 
1 1 1   14   12    1 o  369.205   18.682 55598.34  5582.44   0.0000   0.0000 55598.34  5582.44  ?   ?   369.205   18.682 0.000000 18.68243 
1 1 1   14   12    2 o  644.492   31.258 169597.09 16357.28 177574.00 23154.32 161650.00 23111.11  656.295   43.700  625.562   45.819 30.73291 63.31729 
1 1 1   14   12    3 o  561.140   27.372 128387.80 12471.53 133363.30 17667.30 123445.70 17607.67  569.460   38.434  547.503   39.882 21.95728 55.38711 
1 1 1   14   12    4 o  1507.07   73.144 951083.38 89505.80 989382.31 126623.70 912837.00 126537.00  1511.06  103.834  1447.05  108.484 64.00500 150.1676 
1 1 1   14   12    5 o  1219.62   46.567 612211.12 46115.07 673679.12 80025.55 581651.69 56425.72  1261.54   78.514  1184.07   58.690 77.47607 98.02525 
1 1 1   14   12    6 o  291.626   12.207 34566.12  2890.52 39177.11  5163.45 32461.61  3488.33  309.460   20.668  282.107   15.286 27.35266 25.70664 
1 1 1   14   12    7 o  272.514   14.865 30307.07  3276.77 29725.42  4713.04 30851.29  4558.90  269.075   21.758  274.308   20.619 -5.232910 29.97618 
1 1 1   14   12    8 o   95.595   8.6639  3744.33  665.187  6434.70  1073.05  2065.24  847.718  125.347   10.644   69.854   15.364 55.49361 18.69042 
1 1 1   14   12    9 o  107.323   7.9979  4707.42  691.955  2347.80  1371.69  5512.85  801.396   74.877   21.457  116.139   8.5586 -41.26170 23.10133 
1 1 1   14   12   10 o  158.717   6.8002 10236.68  876.359  8996.44  1233.71 11499.91  1245.09  148.347   10.306  167.913   9.1669 -19.56540 13.79312 
1 1 1   14   12   11 o  179.294   7.0239 13065.38  1022.55 11880.38  1440.05 14270.50  1452.23  170.537   10.450  187.046   9.5943 -16.50926 14.18644 
1 1 1   14   12   12 o  298.660   11.667 36339.80  2829.39 38513.54  4012.76 34190.61  3990.05  306.550   16.179  288.620   17.102 17.93002 23.54227 
1 1 1   14   12   13 o  192.383   7.6587 15052.30  1196.35 14234.64  1687.85 15877.86  1695.97  186.568   11.194  197.145   10.634 -10.57620 15.43964 
1 1 1   14   12   14 o  219.364   10.703 19614.13  1906.33 18725.11  3570.96 19968.48  2254.46  212.146   21.007  220.810   12.627 -8.663452 24.50944 
1 1 1   14   12   15 o  324.021   14.272 42990.64  3754.76 39688.92  6747.02 44471.95  4519.22  306.748   27.377  328.548   16.999 -21.80002 32.22481 
1 1 1   14   12   16 o  217.741   13.729 19529.58  2414.87 19377.31  3712.86 19641.22  3179.18  214.637   21.598  217.192   18.195 -2.555038 28.24032 
1 1 1   14   12   17 f   47.759   10.994  972.384  417.528  1540.93  506.246 -236.9772  738.341   60.443   10.707   32.168   14.252 28.27456 17.82612 
1 1 1   14   12   18 o  199.952   9.9719 16417.03  1618.99 17391.79  2022.35 14677.48  2701.62  204.881   12.212  185.879   18.131 19.00171 21.86020 
1 1 1   14   12   19 o  113.699   7.9603  5321.99  730.254  5430.93  988.870  5191.32  1083.01  114.212   10.791  111.261   12.188 2.951225 16.27835 
1 1 1   14   12   20 o  246.516   10.539 25172.56  2109.61 25939.12  2983.69 24406.27  2983.19  247.387   14.924  239.605   15.415 7.781754 21.45586 
1 1 1   14   12   21 o  100.381   8.8968  4196.32  717.627  4739.98  909.572  3299.92  1167.95  106.164   10.697   85.922   17.339 20.24178 20.37334 
1 1 1   14   12   22 o  111.423   9.1294  5197.46  818.704  6540.03  1074.33  3337.83  1264.40  124.381   10.743   84.922   18.831 39.45914 21.67957 
1 1 1   14   12   23 o   49.436   13.496  1100.52  556.951  1255.41  651.666  680.791  1072.73   52.512   14.701   46.445   18.643 6.066727 23.74248 
1 1 1   14   12   24 o  116.831   10.197  5900.07  957.648  6659.08  1193.17  4525.92  1605.44  122.660   12.139   92.791   21.696 29.86858 24.86158 
1 1 1   14   14    0 o  838.750   40.580 288464.59 27636.79   0.0000   0.0000 288464.59 27636.79  ?   ?   838.750   40.580 0.000000 40.58045 
1 1 1   14   14    1 o  705.896   27.970 203262.70 16031.45 209637.91 27782.79 200080.50 19628.96  711.958   48.346  699.474   34.561 12.48395 59.42936 
1 1 1   14   14    2 o  1351.69   53.744 755172.31 58985.87 797995.69 102139.60 733743.69 72252.15  1363.05   92.841  1324.09   67.427 38.96521 114.7423 
1 1 1   14   14    3 o  1268.68   61.289 669739.88 63134.95 708470.88 89327.34 631079.88 89245.30  1287.38   85.950  1210.74   91.456 76.63391 125.5050 
1 1 1   14   14    4 o  596.268   29.069 145250.70 14073.91 151447.41 19954.15 139116.59 19853.27  605.698   40.811  580.003   42.451 25.69501 58.88675 
1 1 1   14   14    5 o  427.795   17.512 74505.91  6082.90 75997.27 10733.86 73800.38  7382.85  429.700   30.972  424.932   21.467 4.768005 37.68457 
1 1 1   14   14    6 o  333.198   17.541 45359.68  4729.02 45940.46  6762.04 44803.71  6616.04  334.234   25.100  330.090   24.867 4.144226 35.33252 
1 1 1   14   14    7 o  807.489   38.400 270571.59 25177.35 284164.09 35810.03 257284.30 35405.72  817.201   54.277  775.888   56.590 41.31372 78.41191 
1 1 1   14   14    8 o  782.114   30.826 252642.50 19575.81 258625.09 34100.98 249701.91 23907.41  775.831   54.478  774.113   38.036 1.717773 66.44237 
1 1 1   14   14    9 o  235.815   10.797 22629.36  2067.40 23563.15  3800.10 22236.78  2463.95  239.178   19.744  233.272   13.061 5.906525 23.67311 
1 1 1   14   14   10 o  380.859   15.399 59202.66  4762.17 66234.80  8467.30 55949.15  5759.39  400.025   26.214  369.202   19.279 30.82272 32.53972 
1 1 1   14   14   11 o  300.554   13.394 36840.22  3268.76 33547.48  5891.94 38304.31  3928.83  283.957   25.837  305.784   15.878 -21.82703 30.32622 
1 1 1   14   14   12 o  452.798   18.681 84078.73  6868.25 83361.08 12157.29 84415.14  8323.89  444.614   33.932  452.068   22.750 -7.453644 40.85235 
1 1 1   14   14   13 o  111.181   9.0999  5065.71  814.295  3666.75  1612.71  5544.42  943.385   92.484   21.827  116.230   10.096 -23.74548 24.04917 
1 1 1   14   14   14 o  138.699   9.2115  7870.41  1031.49  8482.28  1251.49  6574.29  1821.48  143.815   10.796  125.123   18.485 18.69164 21.40708 
1 1 1   14   14   15 o  308.214   12.672 38880.11  3171.17 39719.32  3899.26 37240.75  5449.86  310.914   15.446  298.218   22.677 12.69583 27.43712 
1 1 1   14   14   16 o  237.749   9.6520 23103.28  1863.26 23364.54  2645.13 22845.97  2625.08  237.888   13.753  235.210   13.806 2.678558 19.48684 
1 1 1   14   14   17 o   62.148   8.6444  1609.63  424.405  1187.28  513.999  2514.44  752.327   52.646   12.254   77.167   12.429 -24.52092 17.45410 
1 1 1   14   14   18 o  170.490   8.3483 11908.40  1155.68 11854.52  1635.80 11962.09  1632.96  168.889   12.007  169.683   11.928 -0.7938080 16.92463 
1 1 1   14   14   19 o  181.236   9.1673 13552.08  1344.66 14241.08  1865.83 12807.56  1939.57  184.538   12.526  174.413   13.809 10.12485 18.64385 
1 1 1   14   14   20 o  142.366   8.6700  8384.35  997.448  8779.93  1338.01  7889.54  1496.46  144.704   11.482  136.200   13.718 8.504288 17.88952 
1 1 1   14   14   21 o   46.124   11.466  927.141  427.572  1149.83  469.049 -167.5382  1039.95   51.384   11.526   38.462   16.984 12.92239 20.52555 
1 1 1   14   14   22 o   51.452   11.630  1164.84  474.439  951.260  532.676  1984.50  1043.53   46.401   13.393   65.098   18.733 -18.69732 23.02860 
1 1 1   14   14   23 o  101.493   9.7018  4397.86  789.773  4925.08  942.875  3158.20  1445.81  106.702   11.043   78.365   21.883 28.33730 24.51145 
1 1 1   14   14   24 o   70.821   12.187  2275.03  675.512  2091.85  727.803  3414.12  1814.92   66.850   13.863   74.803   25.216 -7.953125 28.77564 
1 1 1   14   16    0 o  546.709   27.098 122075.90 12029.05   0.0000   0.0000 122075.90 12029.05  ?   ?   546.709   27.098 0.000000 27.09800 
1 1 1   14   16    1 o  659.950   26.446 177870.09 14171.47 183259.41 24583.95 175188.00 17342.97  664.457   45.847  653.942   32.662 10.51556 56.29189 
1 1 1   14   16    2 o  900.455   35.895 333090.69 26244.46 372627.09 45452.13 313316.41 32144.39  940.934   59.802  869.021   45.716 71.91272 75.27443 
1 1 1   14   16    3 o  802.776   38.325 265652.81 24981.59 314410.09 35391.58 217237.30 35267.35  867.194   50.481  715.261   61.318 151.9323 79.42451 
1 1 1   14   16    4 o  449.768   22.969 82869.70  8360.18 78595.70 11880.91 87061.47 11766.10  435.682   33.850  459.197   31.752 -23.51404 46.41163 
1 1 1   14   16    5 o  690.046   49.551 201145.30 27578.12 201145.30 27578.12   0.0000   0.0000  690.046   49.551  ?   ?  0.000000 49.55064 
1 1 1   14   16    6 o  147.303   8.1265  8845.98  968.209  8328.02  1918.42  9023.00  1121.52  141.873   16.992  148.677   9.3376 -6.804001 19.38829 
1 1 1   14   16    7 o  498.078   19.363 101445.70  7830.69 109237.50 13820.66 97761.60  9503.28  512.209   33.414  488.014   23.983 24.19464 41.13002 
1 1 1   14   16    8 o  501.168   17.493 102622.50  7118.48 128219.50 12583.84 90576.95  8632.42  557.500   27.799  469.833   22.628 87.66626 35.84446 
1 1 1   14   16    9 o  807.889   30.420 270610.19 19955.12 298353.91 34820.16 257041.91 24350.61  830.642   51.887  782.612   38.320 48.03033 64.50336 
1 1 1   14   16   10 o  332.926   15.087 45261.47  4078.47 36934.28  7329.94 48995.60  4908.47  296.531   30.897  345.599   17.549 -49.06866 35.53324 
1 1 1   14   16   11 o   94.696   11.772  3710.85  885.580  3280.89  1387.66  4006.29  1150.28   87.680   19.942   97.924   14.940 -10.24357 24.91727 
1 1 1   14   16   12 o  496.917   25.595 102673.30 10291.82 101129.40 14766.36 104131.80 14352.13  486.547   37.671  494.828   35.967 -8.281494 52.08393 
1 1 1   14   16   13 o  258.410   15.121 27438.39  3158.87 28520.22  4746.34 26578.18  4232.34  261.592   22.567  252.966   20.789 8.626099 30.68298 
1 1 1   14   16   14 o  265.894   12.553 28918.13  2710.23 26212.31  5084.70 29991.95  3203.18  249.094   25.499  270.034   14.664 -20.94052 29.41524 
1 1 1   14   16   15 o  145.620   10.009  8705.79  1176.25 10896.55  2679.33  8182.77  1309.15  160.243   21.106  140.894   11.545 19.34940 24.05717 
1 1 1   14   16   16 o  150.203   10.110  9286.84  1225.86 12636.00  2823.17  8508.66  1360.85  171.977   20.629  143.380   11.794 28.59631 23.76250 
1 1 1   14   16   17 o  180.389   10.859 13445.62  1583.17 16690.00  3716.37 12726.30  1749.90  194.930   23.986  175.016   12.394 19.91470 26.99909 
1 1 1   14   16   18 o   97.326   12.115  3986.77  936.675  9138.11  2883.81  3379.22  990.372  141.301   26.096   88.888   14.200 52.41356 29.70967 
1 1 1   14   16   19 o   49.977   10.316  1070.51  404.746  1284.70  456.865  289.166  872.599   54.787   10.654   40.416   16.594 14.37191 19.71986 
1 1 1   14   16   20 o   44.531   10.057  855.398  355.029  792.808  391.832  1142.42  839.076   42.789   11.161   51.953   17.137 -9.163841 20.45134 
1 1 1   14   16   21 o   82.723   9.0800  2877.69  599.858  2789.54  704.956  3108.98  1141.93   80.777   11.037   82.506   17.583 -1.729218 20.76029 
1 1 1   14   16   22 o   91.495   9.1862  3543.27  673.237  3814.97  798.079  2872.83  1253.66   94.352   10.601   76.889   19.920 17.46278 22.56494 
1 1 1   14   16   23 o   66.310   10.173  1920.69  530.253  2177.47  578.726  577.637  1323.56   70.568   10.413   46.873   19.921 23.69466 22.47854 
1 1 1   14   18    0 o  302.506   16.953 37420.44  4147.39   0.0000   0.0000 37420.44  4147.39  ?   ?   302.506   16.953 0.000000 16.95339 
1 1 1   14   18    1 o  370.269   15.991 55869.70  4807.57 57659.50  8385.56 54993.36  5867.66  373.736   27.833  366.463   19.793 7.272400 34.15274 
1 1 1   14   18    2 o  672.081   33.597 186609.70 18334.31 200155.20 25884.52 172971.50 25972.98  689.194   46.528  638.385   50.520 50.80927 68.68108 
1 1 1   14   18    3 o  238.508   15.187 23277.61  2925.75 26868.33  4063.45 19412.14  4216.05  255.670   19.726  216.242   24.441 39.42834 31.40841 
1 1 1   14   18    4 o  122.282   11.238  6135.77  1103.31  5154.81  1652.35  6925.03  1482.12  110.775   19.058  129.578   14.327 -18.80298 23.84214 
1 1 1   14   18    5 o  413.317   21.521 70167.72  7197.58 69522.28 10275.20 70789.52 10085.30  408.819   31.190  412.827   30.299 -4.007568 43.48349 
1 1 1   14   18    6 o  808.763   40.210 274455.91 26405.50 274986.09 37458.36 273932.31 37228.73  793.577   58.546  792.302   58.278 1.274963 82.60774 
1 1 1   14   18    7 o  255.040   10.500 26472.02  2174.47 31451.34  4109.93 24536.36  2562.50  276.696   18.398  245.046   12.925 31.64983 22.48419 
1 1 1   14   18    8 o  174.784   12.359 12509.96  1742.72 11710.25  2615.67 13148.34  2336.98  167.959   19.545  178.663   16.289 -10.70364 25.44269 
1 1 1   14   18    9 o  362.991   19.317 54175.08  5673.06 54794.82  8190.32 53603.54  7865.37  362.575   28.038  358.867   27.195 3.707764 39.06041 
1 1 1   14   18   10 o  248.788   14.886 25383.56  2993.29 25844.08  4431.58 24997.18  4059.18  249.557   22.099  245.771   20.529 3.786392 30.16255 
1 1 1   14   18   11 o  259.791   12.217 27538.20  2577.04 26782.32  4852.46 27835.14  3041.40  253.368   23.868  260.540   14.433 -7.171967 27.89280 
1 1 1   14   18   12 o  424.615   17.324 74045.47  5972.87 79253.09 10767.53 71730.84  7178.56  432.986   30.828  416.189   21.314 16.79730 37.47903 
1 1 1   14   18   13 o  265.795   12.569 28895.16  2712.51 27367.39  5148.42 29482.20  3191.38  254.710   25.225  267.718   14.738 -13.00847 29.21519 
1 1 1   14   18   14 o  202.618   11.120 16847.14  1822.49 16677.31  4016.09 16891.18  2045.20  197.154   25.699  202.601   12.493 -5.447296 28.57454 
1 1 1   14   18   15 o  103.933   10.579  4473.15  880.329  1242.19  2386.15  4982.21  947.144   69.662   27.861  109.707   10.772 -40.04542 29.87070 
1 1 1   14   18   16 o  201.900   11.078 16832.04  1809.17 23952.89  3937.56 14926.51  2036.90  236.336   20.729  189.372   13.332 46.96384 24.64577 
1 1 1   14   18   17 o  111.398   10.861  5168.82  969.862  4636.29  3172.75  5223.71  1018.62   99.432   33.341  111.859   11.373 -12.42635 35.22750 
1 1 1   14   18   18 o   76.807   14.502  2556.38  871.255  3516.66  2663.62  2441.33  921.971   87.483   30.514   74.671   15.704 12.81247 34.31813 
1 1 1   14   18   19 o   59.710   17.330  1580.29  889.665 -267.4006  2862.32  1777.89  936.028   61.685   27.647   63.087   17.604 -1.402828 32.77579 
1 1 1   14   18   20 o   29.770   14.133 -1019.1270  923.365  1105.14  3590.59 -1169.5580  955.500   72.041   31.696   29.580   14.136 42.46132 34.70541 
1 1 1   14   18   21 o   82.917   17.366  3174.38  1131.73   0.0000   0.0000  3174.38  1131.73  ?   ?    82.917   17.366 0.000000 17.36627 
1 1 1   14   18   22 o   36.674   16.838 -477.0012  1142.79   0.0000   0.0000 -477.0012  1142.79  ?   ?    36.674   16.838 0.000000 16.83766 
1 1 1   14   18   23 o   41.775   19.712 -789.0031  1745.15   0.0000   0.0000 -789.0031  1745.15  ?   ?    41.775   19.712 0.000000 19.71177 
1 1 1   14   20    0 o  434.547   22.838 77680.07  8029.84   0.0000   0.0000 77680.07  8029.84  ?   ?   434.547   22.838 0.000000 22.83798 
1 1 1   14   20    1 f  704.934   35.806 207492.30 20427.35   0.0000   0.0000 207492.30 20427.35  ?   ?   704.934   35.806 0.000000 35.80580 
1 1 1   14   20    2 f  141.334   10.245  8169.63  1167.73  6518.41  2046.69  8966.56  1421.86  124.487   20.995  147.919   11.940 -23.43235 24.15313 
1 1 1   14   20    3 o  383.243   16.848 59986.11  5242.70 64666.72  9099.71 57660.48  6414.25  394.734   28.585  374.514   21.180 20.22079 35.57635 
1 1 1   14   20    4 o  591.520   30.017 145202.30 14369.53 143285.20 20446.92 147073.09 20198.52  580.634   43.690  588.987   42.521 -8.353027 60.96608 
1 1 1   14   20    5 o  449.074   23.225 83100.66  8439.58 85785.97 12060.75 80524.17 11813.83  452.927   33.023  438.589   33.425 14.33774 46.98668 
1 1 1   14   20    6 o  550.452   27.928 125657.80 12441.40 128633.80 17745.61 122780.90 17447.76  550.981   39.937  538.077   40.226 12.90338 56.68427 
1 1 1   14   20    7 o  287.384   16.771 33890.58  3896.53 32381.13  5690.23 35223.33  5346.84  278.965   25.399  291.721   22.753 -12.75598 34.10032 
1 1 1   14   20    8 o  274.154   12.374 30648.18  2754.43 29982.13  5204.17 30907.36  3246.42  268.490   24.129  274.693   14.608 -6.203217 28.20667 
1 1 1   14   20    9 o  225.108   12.583 20739.36  2290.67 12669.01  4466.78 23619.10  2668.24  170.973   33.374  240.097   13.744 -69.12369 36.09274 
1 1 1   14   20   10 o  219.694   11.377 19736.49  2022.45 17891.92  3958.80 20387.94  2352.63  206.522   24.059  223.051   13.047 -16.52849 27.36878 
1 1 1   14   20   11 o  422.502   16.808 73295.88  5766.12 81920.60 10459.56 69530.41  6911.15  440.720   29.398  409.770   20.840 30.95016 36.03524 
1 1 1   14   20   12 o  264.173   12.034 28533.71  2581.23 31649.74  5039.13 27425.25  3005.47  274.864   22.784  258.212   14.392 16.65198 26.94909 
1 1 1   14   20   13 o  247.517   11.776 25096.48  2366.66 33698.80  4971.44 22575.72  2691.16  283.009   21.802  233.861   14.240 49.14796 26.04082 
1 1 1   14   20   14 o  190.644   11.083 14964.20  1708.22 17225.50  4057.79 14477.14  1883.22  198.899   25.729  187.160   12.464 11.73990 28.58859 
1 1 1   14   20   15 o   69.240   13.358  2049.53  723.756  3959.46  2392.37  1857.12  759.339   93.673   28.724   65.603   14.628 28.06991 32.23439 
1 1 1   14   20   16 o   85.199   12.305  3066.81  826.581  6180.05  2678.02  2738.99  869.011  114.839   28.778   80.010   13.880 34.82951 31.95016 
1 1 1   14   20   17 o   48.948   16.865  946.752  812.500  3208.35  2654.90  713.044  853.450   84.969   30.388   45.817   17.094 39.15257 34.86613 
1 1 1   14   20   18 o  141.450   12.131  8424.78  1379.81  8928.55  4260.82  8365.77  1458.40  127.218   38.191  140.618   12.918 -13.39967 40.31652 
1 1 1   14   20   19 o  105.721   13.948  4831.52  1168.08  7267.22  4304.75  4637.92  1213.62  110.539   38.778  103.106   14.931 7.432892 41.55346 
1 1 1   14   20   20 o  131.443   14.200  7541.82  1491.43   0.0000   0.0000  7541.82  1491.43  ?   ?   131.443   14.200 0.000000 14.19981 
1 1 1   14   20   21 o   85.996   17.662  3489.41  1192.01   0.0000   0.0000  3489.41  1192.01  ?   ?    85.996   17.662 0.000000 17.66226 
1 1 1   14   20   22 o   45.979   19.507  582.047  1265.44   0.0000   0.0000  582.047  1265.44  ?   ?    45.979   19.507 0.000000 19.50748 
1 1 1   14   22    0 o  269.013   23.412 29985.85  5062.96   0.0000   0.0000 29985.85  5062.96  ?   ?   269.013   23.412 0.000000 23.41229 
1 1 1   14   22    1 o  297.777   24.786 36776.33  5938.43   0.0000   0.0000 36776.33  5938.43  ?   ?   297.777   24.786 0.000000 24.78593 
1 1 1   14   22    2 o  165.599   13.554 11257.44  1806.50 10588.20  2691.07 11806.41  2437.30  159.232   21.352  168.917   18.050 -9.685211 27.95893 
1 1 1   14   22    3 o   94.468   13.551  3713.25  1009.69  3062.64  1610.23  4134.81  1296.16   84.865   22.857   99.247   16.676 -14.38209 28.29347 
1 1 1   14   22    4 f  635.062   26.749 166818.80 13793.31 169630.50 23901.57 165414.80 16889.46  626.717   47.318  628.448   33.216 -1.730957 57.81322 
1 1 1   14   22    5 o  354.799   19.864 51820.82  5699.47 49234.46  8243.82 54189.01  7888.46  342.810   29.916  360.725   27.131 -17.91528 40.38690 
1 1 1   14   22    6 o  598.789   30.881 150021.80 14963.00 147295.80 21363.55 152646.80 20963.86  583.365   45.461  595.325   43.674 -11.95941 63.04028 
1 1 1   14   22    7 o   92.216   14.035  3551.84  1017.73  4153.17  1592.02  3136.26  1323.48   98.704   20.533   85.707   19.462 12.99629 28.29097 
1 1 1   14   22    8 o  374.878   16.491 57591.07  5019.63 53049.02  9279.75 59469.76  5968.13  353.665   32.685  379.784   19.419 -26.11877 38.01814 
1 1 1   14   22    9 o  116.595   8.6880  5565.47  816.605  5449.84  2011.09  5588.30  893.587  112.823   22.739  116.739   9.5099 -3.915604 24.64709 
1 1 1   14   22   10 o  380.693   14.456 59378.80  4468.65 70812.44  8410.91 54882.14  5274.68  411.172   25.316  365.141   17.791 46.03104 30.94228 
1 1 1   14   22   11 o  280.441   13.511 32242.97  3076.60 28006.30  6020.84 33740.15  3579.16  255.241   29.601  286.046   15.468 -30.80505 33.39862 
1 1 1   14   22   12 o  233.455   12.096 22413.56  2284.97 22742.23  4893.05 22321.89  2584.03  229.635   26.743  232.543   13.746 -2.908585 30.06944 
1 1 1   14   22   13 o   16.036   7.9341 -877.6396  382.436 -336.5875  2062.90 -896.8967  389.182   54.757   24.060   16.153   7.9940 38.60385 25.35305 
1 1 1   14   22   14 o  176.409   11.576 12883.54  1648.97 10070.49  4222.87 13389.64  1791.18  144.351   36.117  179.615   12.357 -35.26355 38.17271 
1 1 1   14   22   15 o  182.148   11.253 13758.16  1656.12 15489.55  4062.74 13413.12  1813.64  184.016   28.081  179.392   12.530 4.623688 30.74921 
1 1 1   14   22   16 o  125.537   12.211  6615.53  1228.97  7809.83  3913.67  6484.88  1294.44  123.043   36.526  123.993   13.053 -0.9498444 38.78877 
1 1 1   14   22   17 o   92.297   13.653  3656.58  992.318  6224.05  4030.24  3490.89  1023.84  107.855   37.539   89.829   14.533 18.02617 40.25432 
1 1 1   14   22   18 f   84.741   15.025  3154.59  995.941 -643.7627  3683.37  3454.19  1034.47   66.030   30.283   88.827   14.868 -22.79659 33.73650 
1 1 1   14   22   19 o   39.837   16.670  251.852  904.002  5828.71  4607.21   28.545  921.923   96.607   38.687   37.812   16.355 58.79503 42.00190 
1 1 1   14   22   20 o   65.564   19.398  2071.64  1105.13   0.0000   0.0000  2071.64  1105.13  ?   ?    65.564   19.398 0.000000 19.39760 
1 1 1   14   22   21 o   55.191   19.886  1456.49  1138.88   0.0000   0.0000  1456.49  1138.88  ?   ?    55.191   19.886 0.000000 19.88569 
1 1 1   14   24    0 o  416.440   22.836 71703.31  7692.08   0.0000   0.0000 71703.31  7692.08  ?   ?   416.440   22.836 0.000000 22.83562 
1 1 1   14   24    1 o  293.313   18.055 35396.92  4278.99   0.0000   0.0000 35396.92  4278.99  ?   ?   293.313   18.055 0.000000 18.05456 
1 1 1   14   24    2 o  258.588   13.962 27385.73  2920.60 29390.21  5206.70 26465.48  3527.88  265.610   24.416  253.611   17.234 11.99910 29.88556 
1 1 1   14   24    3 o  214.102   14.003 18802.23  2420.98 32898.19  3590.55  7051.57  3278.27  283.158   15.678  127.362   31.798 155.7956 35.45317 
1 1 1   14   24    4 o  407.543   22.428 68724.10  7393.04 68671.13 10710.37 68772.32 10217.70  403.022   33.019  404.086   31.388 -1.063751 45.55727 
1 1 1   14   24    5 f  422.729   23.091 74071.85  7895.69 73757.66 11442.84 74357.41 10908.70  416.841   34.107  419.488   32.275 -2.647308 46.95691 
1 1 1   14   24    6 o  119.732   14.696  5951.40  1398.73  6756.78  2238.52  5435.55  1791.53  126.009   22.714  113.240   20.227 12.76910 30.41464 
1 1 1   14   24    7 o  420.885   23.053 73614.73  7848.20 73565.33 11397.38 73659.28 10822.94  415.142   34.114  416.477   32.256 -1.334656 46.94913 
1 1 1   14   24    8 o  280.237   13.095 32121.81  2979.79 31444.44  5894.87 32354.30  3453.49  272.805   26.965  280.484   15.221 -7.679352 30.96459 
1 1 1   14   24    9 o  162.628   10.935 10850.84  1435.50  9774.46  3403.02 11083.84  1583.26  149.690   29.046  164.206   11.957 -14.51640 31.41102 
1 1 1   14   24   10 o  516.408   21.829 111533.10  9152.99 119743.70 16726.80 108023.80 10935.50  516.196   40.226  503.858   26.826 12.33804 48.35016 
1 1 1   14   24   11 o  263.314   11.885 28471.85  2541.05 39596.38  5598.70 25585.76  2851.68  305.203   22.756  248.631   14.184 56.57245 26.81461 
1 1 1   14   24   12 o  101.664   9.4751  4270.14  773.139  9289.94  3092.26  3935.41  798.500  143.902   27.467   97.415   10.249 46.48681 29.31671 
1 1 1   14   24   13 o   29.336   12.079  115.428  463.910  4482.41  2799.10  -7.9132  470.416   98.739   31.197   27.630   11.813 71.10822 33.35896 
1 1 1   14   24   14 o  304.298   14.150 38688.98  3496.21 48854.56  7433.29 35801.27  3961.79  327.620   28.218  290.572   16.864 37.04785 32.87366 
1 1 1   14   24   15 o   95.260   12.948  3853.16  975.553  9343.96  3923.86  3491.40  1007.18  135.325   35.330   90.195   14.224 45.12921 38.08609 
1 1 1   14   24   16 o  194.626   12.403 15921.27  1949.82 17968.98  5047.03 15562.03  2113.95  187.660   34.390  191.713   13.670 -4.052612 37.00721 
1 1 1   14   24   17 o   32.250   14.560 -347.3400  810.298 -1506.8840  3517.67 -282.3654  832.691   61.529   28.695   33.331   14.927 28.19813 32.34563 
1 1 1   14   24   18 o  122.651   13.829  6531.31  1353.17  3647.91  5389.90  6725.28  1397.94   87.255   38.590  124.322   14.098 -37.06747 41.08487 
1 1 1   14   24   19 o   73.809   18.513  2595.11  1107.57   0.0000   0.0000  2595.11  1107.57  ?   ?    73.809   18.513 0.000000 18.51313 
1 1 1   14   24   20 o   24.832   12.243 -1687.1000  883.057   0.0000   0.0000 -1687.1000  883.057  ?   ?    24.832   12.243 0.000000 12.24258 
1 1 1   14   24   21 o   61.209   23.246  2131.50  1593.87   0.0000   0.0000  2131.50  1593.87  ?   ?    61.209   23.246 0.000000 23.24628 
1 1 1   14   26    0 o  368.053   21.401 56110.09  6368.10   0.0000   0.0000 56110.09  6368.10  ?   ?   368.053   21.401 0.000000 21.40126 
1 1 1   14   26    1 o  507.277   27.522 107705.70 11293.71   0.0000   0.0000 107705.70 11293.71  ?   ?   507.277   27.522 0.000000 27.52211 
1 1 1   14   26    2 o  409.649   23.349 69743.36  7734.37   0.0000   0.0000 69743.36  7734.37  ?   ?   409.649   23.349 0.000000 23.34945 
1 1 1   14   26    3 o  125.387   14.004  6509.48  1401.40  7165.20  2563.27  6229.92  1673.69  129.145   25.349  121.980   17.391 7.165192 30.74134 
1 1 1   14   26    4 o  304.282   16.074 38085.86  3957.38 38366.82  6984.33 37953.02  4802.73  301.099   28.924  302.782   19.641 -1.683167 34.96233 
1 1 1   14   26    5 f  198.680   14.270 16248.31  2286.76 15880.66  4042.59 16421.30  2773.06  193.241   26.460  199.100   17.326 -5.859558 31.62755 
1 1 1   14   26    6 o  279.296   18.226 32301.07  4110.74 31445.39  6174.41 32982.31  5509.21  271.824   28.394  280.078   24.471 -8.253632 37.48408 
1 1 1   14   26    7 o  163.384   15.706 11079.59  2057.91 11120.85  3331.40 11054.13  2616.91  160.602   26.469  162.015   20.341 -1.413651 33.38233 
1 1 1   14   26    8 o  226.680   12.555 21136.95  2301.91 17073.65  5124.44 22164.12  2576.48  195.934   33.409  231.843   13.748 -35.90884 36.12696 
1 1 1   14   26    9 o  226.505   12.636 21156.17  2314.74 20229.47  5409.11 21363.91  2561.09  212.753   32.330  227.236   13.948 -14.48302 35.21007 
1 1 1   14   26   10 o  320.513   14.396 42541.93  3746.52 50590.07  7854.83 40171.76  4262.64  338.714   28.835  309.829   17.009 28.88541 33.47777 
1 1 1   14   26   11 o  278.336   15.170 32372.17  3415.45 27420.50  7430.35 33698.68  3845.82  237.389   39.969  283.092   16.806 -45.70210 43.35837 
1 1 1   14   26   12 o  135.376   10.639  7597.25  1160.02  4903.20  3659.74  7898.15  1223.09  102.704   35.771  137.947   11.011 -35.24228 37.42710 
1 1 1   14   26   13 f   65.006   12.472  1812.28  634.348  6153.50  3082.37  1620.28  648.224  112.365   32.155   61.192   13.416 51.17245 34.84190 
1 1 1   14   26   14 o   57.339   13.827  1433.89  636.292 -347.8098  3183.53  1508.03  649.395   65.193   29.193   58.808   13.832 6.385269 32.30355 
1 1 1   14   26   15 o  259.034   14.528 28546.55  3043.36 24836.65  7385.22 29305.42  3340.16  204.507   45.633  261.370   15.813 -56.86337 48.29562 
1 1 1   14   26   16 o  198.057   12.730 16644.88  2036.36 24547.20  6081.75 15647.06  2161.10  211.678   36.716  191.132   14.023 20.54659 39.30250 
1 1 1   14   26   17 o   30.400   13.779 -333.1325  733.966 -6312.2412  5043.32 -203.7566  741.865   59.050   29.140   31.811   14.179 27.23873 32.40651 
1 1 1   14   26   18 o   35.813   15.791 -85.2089  895.870   0.0000   0.0000 -85.2089  895.870  ?   ?    35.813   15.791 0.000000 15.79128 
1 1 1   14   26   19 o   45.147   18.139  696.069  1016.57   0.0000   0.0000  696.069  1016.57  ?   ?    45.147   18.139 0.000000 18.13946 
1 1 1   14   26   20 o   51.445   22.223  967.237  1697.65   0.0000   0.0000  967.237  1697.65  ?   ?    51.445   22.223 0.000000 22.22285 
1 1 1   14   28    0 o  767.896   41.532 260591.50 25798.90   0.0000   0.0000 260591.50 25798.90  ?   ?   767.896   41.532 0.000000 41.53152 
1 1 1   14   28    1 o  375.020   22.337 58726.09  6770.76   0.0000   0.0000 58726.09  6770.76  ?   ?   375.020   22.337 0.000000 22.33659 
1 1 1   14   28    2 o  235.867   18.453 23118.88  3505.81   0.0000   0.0000 23118.88  3505.81  ?   ?   235.867   18.453 0.000000 18.45259 
1 1 1   14   28    3 o  176.614   14.756 12900.76  2096.69 12248.19  3942.16 13158.18  2475.92  167.375   30.114  177.758   17.376 -10.38286 34.76802 
1 1 1   14   28    4 o  285.199   16.340 33650.16  3768.18 26654.89  6696.08 36892.09  4558.48  245.820   34.498  297.722   18.956 -51.90182 39.36238 
1 1 1   14   28    5 o  276.591   15.881 31676.84  3551.58 33219.13  6405.25 30992.17  4267.72  277.234   28.878  272.264   19.433 4.970703 34.80780 
1 1 1   14   28    6 o  179.693   15.694 13449.36  2266.84 15909.35  4473.50 12599.48  2629.42  189.727   30.039  172.844   19.052 16.88245 35.57179 
1 1 1   14   28    7 o  210.654   17.977 18648.03  3045.38 22193.71  5381.06 16977.23  3693.86  223.356   30.466  198.639   23.348 24.71667 38.38321 
1 1 1   14   28    8 o  139.184   18.081  8245.98  1995.16  7546.35  4176.23  8452.88  2271.10  125.689   37.828  140.023   20.590 -14.33459 43.06845 
1 1 1   14   28    9 o   96.635   9.5448  3867.37  739.146  3767.36  3750.27  3871.41  753.934   95.777   35.813   96.647   9.7402 -0.8701630 37.11412 
1 1 1   14   28   10 o  266.647   13.831 29665.19  2984.21 35742.32  7077.80 28351.27  3291.04  277.511   31.997  259.663   15.683 17.84854 35.63375 
1 1 1   14   28   11 o  214.027   12.514 19093.29  2165.28 17960.66  5998.67 19262.97  2321.81  186.284   40.789  214.578   13.393 -28.29344 42.93169 
1 1 1   14   28   12 o   70.990   11.306  2138.78  629.853  243.658  3555.79  2200.17  639.973   71.465   31.489   72.020   11.317 -0.5548477 33.46072 
1 1 1   14   28   13 f   36.385   13.986  391.956  581.345  6159.65  3562.58  234.172  589.243  108.686   35.286   34.038   13.763 74.64799 37.87509 
1 1 1   14   28   14 o   21.411   10.530 -1292.2209  640.073  2272.63  4459.58 -1367.2020  646.770   83.667   36.080   21.207   10.459 62.46048 37.56581 
1 1 1   14   28   15 o   57.433   16.470  1478.27  807.894  6674.01  5283.15  1353.87  817.509  103.321   41.409   55.217   16.763 48.10352 44.67343 
1 1 1   14   28   16 o   82.122   16.305  3058.70  1048.88 14385.57  5882.96  2686.82  1065.95  137.869   45.372   76.254   17.577 61.61539 48.65789 
1 1 1   14   28   17 o   63.473   18.981  1933.33  1053.99   0.0000   0.0000  1933.33  1053.99  ?   ?    63.473   18.981 0.000000 18.98124 
1 1 1   14   28   18 o   43.792   18.033  568.489  1034.08   0.0000   0.0000  568.489  1034.08  ?   ?    43.792   18.033 0.000000 18.03252 
1 1 1   14   28   19 o   74.876   24.909  3466.79  1771.35   0.0000   0.0000  3466.79  1771.35  ?   ?    74.876   24.909 0.000000 24.90929 
1 1 1   14   30    0 o  301.410   20.782 38357.95  5055.02   0.0000   0.0000 38357.95  5055.02  ?   ?   301.410   20.782 0.000000 20.78203 
1 1 1   14   30    1 f  128.162   20.136  7042.25  2026.29   0.0000   0.0000  7042.25  2026.29  ?   ?   128.162   20.136 0.000000 20.13562 
1 1 1   14   30    2 o  411.853   25.020 72815.77  8327.26   0.0000   0.0000 72815.77  8327.26  ?   ?   411.853   25.020 0.000000 25.01977 
1 1 1   14   30    3 o   75.401   23.389  2432.68  1581.01   0.0000   0.0000  2432.68  1581.01  ?   ?    75.401   23.389 0.000000 23.38898 
1 1 1   14   30    4 o  390.728   20.011 64557.66  6327.38 76949.55 11671.93 59400.38  7529.80  409.940   35.414  370.481   25.181 39.45828 43.45317 
1 1 1   14   30    5 o  208.055   16.918 18215.46  2833.21 22164.38  5637.16 16880.82  3277.20  220.049   32.531  198.551   20.629 21.49788 38.52034 
1 1 1   14   30    6 o  120.716   19.121  6296.48  1811.70  2517.22  4232.12  7144.45  2004.67   90.428   36.769  128.461   19.860 -38.03260 41.78999 
1 1 1   14   30    7 o   49.308   19.662  592.548  1184.77  1373.98  3623.33  498.997  1253.68   79.584   33.344   49.314   20.028 30.27013 38.89670 
1 1 1   14   30    8 o  328.502   22.149 46961.97  5873.28 54038.08  9413.10 42451.01  7515.71  336.460   34.966  302.815   31.004 33.64438 46.73241 
1 1 1   14   30    9 f  171.488   10.736 12195.78  1487.33 14040.05  5020.12 12018.32  1557.24  166.097   38.041  170.023   11.345 -3.925598 39.69700 
1 1 1   14   30   10 o  104.427   9.5630  4532.44  801.857 11787.21  4161.10  4252.65  817.174  153.582   34.241  100.990   10.101 52.59230 35.69999 
1 1 1   14   30   11 o   76.681   11.341  2494.69  684.809 11425.37  4945.28  2320.09  691.471  143.136   40.649   73.721   11.962 69.41489 42.37249 
1 1 1   14   30   12 o   77.663   12.895  2597.70  784.633  1408.52  4398.62  2636.78  797.422   80.079   35.161   78.219   13.013 1.860001 37.49139 
1 1 1   14   30   13 o   68.923   14.586  2099.94  790.819 -1087.9030  4821.05  2188.08  801.678   71.844   33.535   70.416   14.504 1.428436 36.53750 
1 1 1   14   30   14 o  133.098   12.110  7559.75  1294.42 11280.42  5904.58  7371.92  1326.69  123.087   45.136  131.155   12.614 -8.068008 46.86557 
1 1 1   14   30   15 o   64.248   16.948  1914.56  896.851   0.0000   0.0000  1914.56  896.851  ?   ?    64.248   16.948 0.000000 16.94756 
1 1 1   14   30   16 o  117.119   14.277  6138.47  1329.61   0.0000   0.0000  6138.47  1329.61  ?   ?   117.119   14.277 0.000000 14.27716 
1 1 1   14   30   17 o   46.688   17.855  903.319  944.327   0.0000   0.0000  903.319  944.327  ?   ?    46.688   17.855 0.000000 17.85452 
1 1 1   14   32    0 o   56.665   22.590  830.441  1563.60   0.0000   0.0000  830.441  1563.60  ?   ?    56.665   22.590 0.000000 22.58993 
1 1 1   14   32    1 o  208.870   20.380 18792.16  3412.36   0.0000   0.0000 18792.16  3412.36  ?   ?   208.870   20.380 0.000000 20.38029 
1 1 1   14   32    2 o  167.388   21.307 12197.64  2830.24   0.0000   0.0000 12197.64  2830.24  ?   ?   167.388   21.307 0.000000 21.30685 
1 1 1   14   32    3 o  163.836   21.940 11757.62  2845.39   0.0000   0.0000 11757.62  2845.39  ?   ?   163.836   21.940 0.000000 21.94010 
1 1 1   14   32    4 o   64.136   23.975  1481.44  1680.43   0.0000   0.0000  1481.44  1680.43  ?   ?    64.136   23.975 0.000000 23.97472 
1 1 1   14   32    5 o  167.075   18.581 12028.72  2477.97  9591.18  5314.86 12705.75  2801.04  133.687   43.069  170.650   20.634 -36.96364 47.75661 
1 1 1   14   32    6 o  174.808   19.969 13315.83  2783.52 14793.10  6052.53 12919.57  3134.68  163.850   44.392  170.133   23.304 -6.283020 50.13683 
1 1 1   14   32    7 o   96.348   25.407  4326.68  2016.05  7461.50  5097.33  3745.37  2195.03  117.817   42.110   89.510   27.525 28.30707 50.30788 
1 1 1   14   32    8 o  147.771   23.200  9898.42  2691.97 12794.32  5943.52  9151.03  3019.43  147.431   45.286  138.983   27.728 8.448151 53.10041 
1 1 1   14   32    9 o   92.979   9.6656  3611.88  719.046  5668.89  5928.85  3581.17  724.393  105.067   43.211   92.545   9.7887 12.52161 44.30586 
1 1 1   14   32   10 o  110.903   10.431  5156.70  928.273 13509.02  6327.62  4972.99  938.427  143.441   47.049  108.782   10.766 34.65840 48.26464 
1 1 1   14   32   11 o   98.165   11.476  4091.27  897.480  8042.16  5537.81  3984.70  909.503  111.854   43.122   96.733   11.826 15.12137 44.71387 
1 1 1   14   32   12 o  105.140   12.334  4740.39  1032.91  4103.21  7029.20  4754.45  1044.24   92.499   42.200  105.238   12.463 -12.73946 44.00214 
1 1 1   14   32   13 o   67.850   13.772  2049.78  732.830  9262.12  7200.28  1974.29  736.655  103.720   45.276   66.438   14.092 37.28220 47.41884 
1 1 1   14   32   14 o  109.921   13.612  5336.54  1188.96   0.0000   0.0000  5336.54  1188.96  ?   ?   109.921   13.612 0.000000 13.61249 
1 1 1   14   32   15 o   55.664   16.898  1475.30  830.776   0.0000   0.0000  1475.30  830.776  ?   ?    55.664   16.898 0.000000 16.89848 
1 1 1   14   32   16 o   57.706   18.738  1690.05  1004.63   0.0000   0.0000  1690.05  1004.63  ?   ?    57.706   18.738 0.000000 18.73816 
1 1 1   14   34    0 o  128.155   25.680  7615.44  2579.12   0.0000   0.0000  7615.44  2579.12  ?   ?   128.155   25.680 0.000000 25.68017 
1 1 1   14   34    1 o  257.774   22.837 29578.58  4730.30   0.0000   0.0000 29578.58  4730.30  ?   ?   257.774   22.837 0.000000 22.83658 
1 1 1   14   34    2 o  225.992   23.019 22829.74  4164.98   0.0000   0.0000 22829.74  4164.98  ?   ?   225.992   23.019 0.000000 23.01912 
1 1 1   14   34    3 o   92.918   26.373  4073.50  2082.24   0.0000   0.0000  4073.50  2082.24  ?   ?    92.918   26.373 0.000000 26.37290 
1 1 1   14   34    4 o   51.654   23.396 -728.6094  2112.30   0.0000   0.0000 -728.6094  2112.30  ?   ?    51.654   23.396 0.000000 23.39640 
1 1 1   14   34    5 o  126.124   26.753  7557.63  2654.79  8407.27  6700.80  7399.44  2891.40  118.399   46.902  122.978   29.362 -4.578979 55.33419 
1 1 1   14   34    6 o  107.757   26.910  5608.11  2347.48  6146.17  5516.22  5489.12  2594.10  106.326   42.417  105.233   29.286 1.093269 51.54447 
1 1 1   14   34    7 o  128.897   28.331  8160.41  2884.22 19017.64  6991.12  5933.46  3166.23  171.527   48.199  106.330   33.118 65.19646 58.48026 
1 1 1   14   34    8 o   93.027   30.123  4408.88  2597.37  496.521  6808.94  5075.14  2809.84   85.863   40.003   98.764   31.263 -12.90126 50.77037 
1 1 1   14   34    9 o   81.485   9.9752  2805.44  646.202  288.536  6823.68  2828.21  649.120   83.580   39.296   81.818   9.9776 1.762016 40.54301 
1 1 1   14   34   10 o   32.376   11.740  376.921  397.840  4728.40  7810.51  365.602  398.357   93.913   43.440   32.137   11.733 61.77610 44.99651 
1 1 1   14   34   11 o   52.996   12.566  1246.84  532.497  1079.04  8330.22  1247.53  533.588   83.345   40.312   53.006   12.585 30.33884 42.23121 
1 1 1   14   34   12 o  104.787   11.511  4742.81  963.252   0.0000   0.0000  4742.81  963.252  ?   ?   104.787   11.511 0.000000 11.51095 
1 1 1   14   34   13 o   94.696   13.728  4028.65  1024.77   0.0000   0.0000  4028.65  1024.77  ?   ?    94.696   13.728 0.000000 13.72796 
1 1 1   14   34   14 o   22.840   10.914 -670.7234  569.349   0.0000   0.0000 -670.7234  569.349  ?   ?    22.840   10.914 0.000000 10.91422 
1 1 1   14   36    0 o  269.303   26.215 34337.24  5659.61   0.0000   0.0000 34337.24  5659.61  ?   ?   269.303   26.215 0.000000 26.21489 
1 1 1   14   36    1 o  139.826   31.278  9985.28  3462.25   0.0000   0.0000  9985.28  3462.25  ?   ?   139.826   31.278 0.000000 31.27806 
1 1 1   14   36    2 o   79.722   31.314  2743.45  2963.40   0.0000   0.0000  2743.45  2963.40  ?   ?    79.722   31.314 0.000000 31.31372 
1 1 1   14   36    3 o   48.764   23.382 -2799.0850  2662.22   0.0000   0.0000 -2799.0850  2662.22  ?   ?    48.764   23.382 0.000000 23.38198 
1 1 1   14   36    4 o   53.618   24.663 -959.7344  2467.40   0.0000   0.0000 -959.7344  2467.40  ?   ?    53.618   24.663 0.000000 24.66274 
1 1 1   14   36    5 o  114.507   33.578  7227.23  3324.55   0.0000   0.0000  7227.23  3324.55  ?   ?   114.507   33.578 0.000000 33.57796 
1 1 1   14   36    6 f  230.162   26.589 25968.76  4877.60 35532.11 11422.56 23836.09  5394.12  184.825   63.256  212.378   32.298 -27.55362 71.02430 
1 1 1   14   36    7 o  145.235   32.421 11539.89  3726.48  9083.66  9483.70 11988.38  4052.44  103.646   47.915  144.926   34.863 -41.28011 59.25613 
1 1 1   14   36    8 f   45.881   21.973 -2194.8220  2335.62 -5278.0659  7942.81 -1902.9850  2443.65   73.021   36.133   48.148   22.897 24.87346 42.77681 
1 1 1   14   36    9 o  146.228   11.513  9164.56  1355.94  8181.35 10022.32  9182.90  1368.52   93.377   44.927  146.308   11.615 -52.93080 46.40464 
1 1 1   14   36   10 o   57.520   11.523  1463.34  519.432   0.0000   0.0000  1463.34  519.432  ?   ?    57.520   11.523 0.000000 11.52331 
1 1 1   14   36   11 o   96.243   11.092  4034.15  850.904   0.0000   0.0000  4034.15  850.904  ?   ?    96.243   11.092 0.000000 11.09159 
1 1 1   14   36   12 o   72.284   13.891  2417.07  785.664   0.0000   0.0000  2417.07  785.664  ?   ?    72.284   13.891 0.000000 13.89082 
1 1 1   14   36   13 o   52.534   15.210  1345.34  686.005   0.0000   0.0000  1345.34  686.005  ?   ?    52.534   15.210 0.000000 15.20952 
1 1 1   14   38    0 o  124.598   35.786  9370.04  3811.42   0.0000   0.0000  9370.04  3811.42  ?   ?   124.598   35.786 0.000000 35.78611 
1 1 1   14   38    1 o  103.209   35.364  6515.95  3570.23   0.0000   0.0000  6515.95  3570.23  ?   ?   103.209   35.364 0.000000 35.36415 
1 1 1   14   38    2 o  158.120   32.431 13859.91  4024.04   0.0000   0.0000 13859.91  4024.04  ?   ?   158.120   32.431 0.000000 32.43098 
1 1 1   14   38    3 o   67.003   29.402  1175.17  3071.81   0.0000   0.0000  1175.17  3071.81  ?   ?    67.003   29.402 0.000000 29.40188 
1 1 1   14   38    4 o   66.557   28.428  1519.38  2719.65   0.0000   0.0000  1519.38  2719.65  ?   ?    66.557   28.428 0.000000 28.42763 
1 1 1   14   38    5 o   67.498   29.946  1301.49  3270.23   0.0000   0.0000  1301.49  3270.23  ?   ?    67.498   29.946 0.000000 29.94563 
1 1 1   14   38    6 o   61.486   28.458 -20.3679  3359.95   0.0000   0.0000 -20.3679  3359.95  ?   ?    61.486   28.458 0.000000 28.45831 
1 1 1   14   38    7 o   97.255   37.086  7207.12  4066.92   0.0000   0.0000  7207.12  4066.92  ?   ?    97.255   37.086 0.000000 37.08587 
1 1 1   14   38    8 o   60.481   27.345  908.650  2870.22   0.0000   0.0000  908.650  2870.22  ?   ?    60.481   27.345 0.000000 27.34460 
1 1 1   14   38    9 o   72.750   10.666  2324.27  611.328   0.0000   0.0000  2324.27  611.328  ?   ?    72.750   10.666 0.000000 10.66580 
1 1 1   14   38   10 o   76.983   11.698  2659.55  708.182   0.0000   0.0000  2659.55  708.182  ?   ?    76.983   11.698 0.000000 11.69759 
1 1 1   14   40    0 o   72.728   32.621  2891.24  3992.70   0.0000   0.0000  2891.24  3992.70  ?   ?    72.728   32.621 0.000000 32.62067 
1 1 1   14   40    1 o  112.970   39.424 10586.73  4446.42   0.0000   0.0000 10586.73  4446.42  ?   ?   112.970   39.424 0.000000 39.42359 
1 1 1   14   40    2 o   71.515   34.280  1846.45  5711.93   0.0000   0.0000  1846.45  5711.93  ?   ?    71.515   34.280 0.000000 34.27979 
1 1 1   14   40    3 o   79.280   38.341  5782.91  7529.72   0.0000   0.0000  5782.91  7529.72  ?   ?    79.280   38.341 0.000000 38.34131 
1 1 1   14   40    4 o   73.889   36.612  3298.03  8256.63   0.0000   0.0000  3298.03  8256.63  ?   ?    73.889   36.612 0.000000 36.61204 
1 1 1   14   40    5 o   76.852   38.406  7902.90  9912.63   0.0000   0.0000  7902.90  9912.63  ?   ?    76.852   38.406 0.000000 38.40621 
1 1 1   14   40    6 o   67.274   34.173 -189.1175  9856.55   0.0000   0.0000 -189.1175  9856.55  ?   ?    67.274   34.173 0.000000 34.17327 
1 1 1   14   40    7 o   62.169   28.969  1967.04  3572.95   0.0000   0.0000  1967.04  3572.95  ?   ?    62.169   28.969 0.000000 28.96911 
1 1 1   15    1    0 o  760.981   54.732 248783.59 33592.59   0.0000   0.0000 248783.59 33592.59  ?   ?   760.981   54.732 0.000000 54.73205 
1 1 1   15    1    1 o  321.530   11.594 42067.16  3026.87 43293.84  4276.32 40835.52  4284.98  325.835   16.163  315.958   16.762 9.876373 23.28596 
1 1 1   15    1    3 o  436.547   15.004 77588.52  5318.19 77017.54  7523.86 78158.63  7518.24  434.313   21.335  437.538   21.162 -3.225708 30.05060 
1 1 1   15    1    4 o  918.522   31.081 345731.19 23180.79 345150.00 32784.93 346312.19 32780.23  913.423   44.204  914.991   44.122 -1.568115 62.45625 
1 1 1   15    1    5 o  759.618   25.706 235452.00 15855.27 239856.30 22428.08 231051.91 22417.41  764.808   36.116  750.500   36.787 14.30811 51.55260 
1 1 1   15    1    6 o  478.950   16.425 93293.74  6387.62 91693.02  9039.20 94890.40  9027.73  474.389   23.467  482.620   23.037 -8.231567 32.88501 
1 1 1   15    1    7 o  593.570   20.234 143377.30  9752.19 142259.50 13798.73 144492.80 13784.63  590.538   28.777  595.181   28.524 -4.642273 40.51855 
1 1 1   15    1    8 o  734.308   28.578 219922.91 17039.45 197994.91 29509.62 230891.00 20870.25  690.938   53.004  751.649   34.196 -60.71161 63.07768 
1 1 1   15    1    9 o  570.006   19.327 132238.30  8944.82 131428.00 12655.22 133047.09 12644.56  567.533   27.463  571.038   27.271 -3.505310 38.70263 
1 1 1   15    1   10 o  329.677   11.713 44185.70  3135.44 43802.86  4438.32 44567.14  4430.06  327.586   16.742  330.874   16.490 -3.287567 23.49896 
1 1 1   15    1   11 o  329.826   11.629 44255.27  3114.21 46385.65  4409.71 42135.59  4398.63  337.356   16.098  321.022   16.935 16.33392 23.36559 
1 1 1   15    1   12 o  663.208   32.432 182148.00 17464.94 182539.91 24710.77 181757.00 24687.56  655.589   46.727  654.135   46.790 1.454346 66.12622 
1 1 1   15    1   13 o  531.016   18.361 115321.40  7916.83 115339.60 11200.15 115303.30 11192.03  529.096   26.071  529.018   26.056 0.7873535E-01 36.85875 
1 1 1   15    1   14 o  374.714   13.351 57263.85  4062.01 57212.24  5747.65 57315.34  5741.46  373.202   19.031  373.548   18.992 -0.3462830 26.88603 
1 1 1   15    1   15 o  463.975   16.290 88099.44  6136.87 87176.60  8681.42 89021.16  8676.26  459.044   23.369  464.560   23.001 -5.516479 32.78965 
1 1 1   15    1   16 o  267.713   10.271 29207.94  2232.60 29403.77  3163.47 29013.61  3151.30  267.699   14.609  265.903   14.652 1.795868 20.69100 
1 1 1   15    1   17 o  146.231   7.4936  8726.65  886.758  8932.65  1239.64  8510.79  1269.01  147.599   10.410  143.979   10.937 3.620285 15.09920 
1 1 1   15    1   18 f  264.912   10.364 28701.72  2229.28 28355.73  3158.54 29045.15  3146.86  261.879   14.916  265.130   14.675 -3.251007 20.92450 
1 1 1   15    1   19 o  288.478   11.099 34207.31  2599.79 33751.81  3674.31 34663.98  3679.01  284.263   15.984  288.191   15.782 -3.927917 22.46243 
1 1 1   15    1   20 f  202.779   9.3456 16888.27  1538.75 16553.04  2168.23 17228.44  2184.11  199.095   13.492  203.208   13.311 -4.113495 18.95287 
1 1 1   15    1   21 o  163.411   9.0171 11023.20  1191.79 10356.67  1682.55 11694.34  1688.36  156.843   13.338  167.064   12.538 -10.22066 18.30614 
1 1 1   15    1   22 f  142.303   9.4023  8413.58  1080.27  7793.54  1536.82  9019.17  1518.81  134.960   14.239  145.898   12.956 -10.93811 19.25104 
1 1 1   15    1   23 o  124.500   9.8942  6504.52  991.960  6534.62  1391.27  6473.40  1414.71  122.720   14.226  121.948   14.576 0.7727814 20.36797 
1 1 1   15    1   24 o   21.947   10.553 -760.7285  550.951 -989.7524  671.124 -287.3575  964.857   23.707   11.461   35.394   15.942 -11.68758 19.63382 
1 1 1   15    1   25 f   59.864   21.330  1809.21  1306.84   0.0000   0.0000  1809.21  1306.84  ?   ?    59.864   21.330 0.000000 21.32981 
1 1 1   15    3    0 o  281.673   21.281 32633.94  4831.31   0.0000   0.0000 32633.94  4831.31  ?   ?   281.673   21.281 0.000000 21.28131 
1 1 1   15    3    2 o  732.060   35.597 221414.91 21159.44 221907.59 29936.13 220923.09 29911.83  724.579   51.213  722.921   51.291 1.658691 72.48119 
1 1 1   15    3    3 o  572.206   19.353 133491.09  8991.81 133231.91 12728.58 133749.30 12704.13  570.426   27.482  571.551   27.375 -1.125366 38.78945 
1 1 1   15    3    4 o  423.058   14.665 72801.80  5037.59 69609.41  7138.35 75969.04  7110.19  412.686   21.376  431.784   20.280 -19.09814 29.46586 
1 1 1   15    3    5 o  773.964   26.057 244412.70 16374.87 243674.00 23170.76 245149.91 23144.38  770.835   37.020  773.199   36.865 -2.363342 52.24504 
1 1 1   15    3    6 o  1327.81   44.760 724888.31 48257.38 732214.12 68260.33 717568.38 68232.17  1326.15   63.393  1312.49   64.026 13.65759 90.09956 
1 1 1   15    3    7 o  1060.66   35.480 459984.09 30555.97 482361.91 43226.45 437634.69 43198.88  1082.63   49.173  1029.20   51.860 53.43347 71.46668 
1 1 1   15    3    8 o  888.553   29.942 322190.81 21602.66 321771.41 30563.99 322609.41 30537.59  885.667   42.501  886.840   42.408 -1.172546 60.04016 
1 1 1   15    3    9 o  1103.45   36.791 499053.81 32963.36 506245.81 46631.53 491870.59 46602.93  1106.19   51.917  1090.08   52.652 16.10901 73.94335 
1 1 1   15    3   10 o  111.820   6.0999  5093.45  551.743  5477.11  791.646  4731.06  769.395  115.796   8.4787  107.538   8.8912 8.258179 12.28583 
1 1 1   15    3   11 o  441.525   15.246 79434.73  5465.66 75348.38  7741.67 83495.72  7717.61  428.554   22.325  451.924   21.032 -23.37006 30.67175 
1 1 1   15    3   12 o  290.817   12.320 34436.86  2909.28 35698.30  5106.04 33830.50  3540.11  294.450   21.505  287.628   15.212 6.822083 26.34199 
1 1 1   15    3   13 o  292.321   10.789 34781.71  2560.82 34917.75  3633.29 34647.42  3609.92  292.106   15.373  290.976   15.333 1.130157 21.71256 
1 1 1   15    3   14 o  292.263   10.838 34784.18  2571.93 34756.33  3645.06 34811.78  3629.52  291.284   15.467  291.530   15.388 -0.2459717 21.81759 
1 1 1   15    3   15 f  265.519   10.189 28713.64  2196.78 28977.17  3119.63 28454.43  3093.96  265.913   14.503  263.493   14.517 2.419098 20.52070 
1 1 1   15    3   16 o  209.895   8.7708 17936.77  1494.78 17675.87  2119.70 18194.85  2108.24  207.672   12.631  210.748   12.374 -3.076462 17.68224 
1 1 1   15    3   17 o  245.893   9.8623 24661.36  1969.07 25575.78  2793.32 23758.15  2776.14  249.476   13.844  240.324   14.291 9.152008 19.89708 
1 1 1   15    3   18 o   66.918   8.9773  1860.59  475.484  2345.09  655.504  1322.58  690.752   74.880   11.119   55.685   14.959 19.19562 18.63870 
1 1 1   15    3   19 o  117.080   8.5625  5636.72  808.350  6137.58  1147.02  5142.50  1139.38  121.539   11.770  110.885   12.896 10.65356 17.45975 
1 1 1   15    3   20 o  162.677   8.7965 10887.62  1157.61 10554.03  1628.48 11228.37  1645.86  159.018   12.719  164.144   12.441 -5.125931 17.79205 
1 1 1   15    3   21 o  153.892   8.9124  9778.48  1108.89  9369.34  1525.33 10237.09  1614.91  149.346   12.699  156.088   12.856 -6.742157 18.07079 
1 1 1   15    3   22 o  172.172   9.7316 12323.37  1354.88 12660.75  1845.53 11928.96  1995.42  172.818   13.253  166.806   14.889 6.011887 19.93327 
1 1 1   15    3   23 o   58.430   18.681  1529.71  1001.40  5066.06  2340.98  737.687  1107.87   99.087   27.908   48.456   19.110 50.63144 33.82348 
1 1 1   15    3   24 o   88.038   16.834  3578.42  1159.51   0.0000   0.0000  3578.42  1159.51  ?   ?    88.038   16.834 0.000000 16.83401 
1 1 1   15    3   25 o   36.917   14.991  380.262  702.330  857.038  831.219 -809.5634  1313.11   45.219   16.870   36.851   17.298 8.368202 24.16200 
1 1 1   15    5    0 o  967.070   70.190 407608.19 54739.91   0.0000   0.0000 407608.19 54739.91  ?   ?   967.070   70.190 0.000000 70.19026 
1 1 1   15    5    1 o  132.143   6.3626  7092.90  682.683 10398.10  1248.85  5684.30  815.278  159.648   9.6798  117.960   8.5706 41.68790 12.92878 
1 1 1   15    5    2 o  345.236   10.718 48451.29  3004.59 48688.56  4240.98 48212.18  4257.33  345.859   15.102  344.155   15.235 1.704041 21.45163 
1 1 1   15    5    3 o  379.642   13.311 58610.71  4103.14 58944.41  5798.95 58276.14  5806.48  380.409   18.774  378.237   18.906 2.171326 26.64439 
1 1 1   15    5    4 o  887.245   29.687 321799.00 21387.20 322980.81 30253.97 320618.50 30238.16  885.817   42.063  882.533   42.197 3.283997 59.58117 
1 1 1   15    5    5 o  918.336   30.958 344594.69 23084.30 334531.50 32657.86 354643.41 32634.41  901.719   44.604  928.791   43.273 -27.07147 62.14605 
1 1 1   15    5    6 o  480.200   15.865 93757.72  6185.67 99384.16  8759.08 88160.03  8736.67  494.066   21.834  465.250   23.127 28.81552 31.80551 
1 1 1   15    5    7 o  1187.43   46.399 579354.12 44735.39 599783.38 77467.84 569133.00 54795.14  1191.52   80.545  1173.15   57.524 18.37329 98.97737 
1 1 1   15    5    8 o  750.025   25.505 229282.41 15532.74 232245.41 21980.23 226326.70 21953.01  753.399   35.931  743.669   36.356 9.730896 51.11548 
1 1 1   15    5    9 o   95.972   5.7899  3753.95  449.066  3971.84  640.130  3542.81  630.139   98.556   8.0700   93.008   8.4359 5.547737 11.67427 
1 1 1   15    5   10 o  756.333   25.245 234040.00 15503.22 234855.80 21938.41 233226.20 21911.35  754.719   35.800  752.070   35.882 2.649292 50.68653 
1 1 1   15    5   11 o  843.428   32.926 294158.69 22548.92 282099.91 27622.84 318244.00 39038.44  820.567   41.595  860.927   56.153 -40.35999 69.88036 
1 1 1   15    5   12 o  507.429   20.165 105385.30  8308.15 113141.80 14472.41 101572.70 10146.65  520.709   34.424  496.411   25.257 24.29840 42.69584 
1 1 1   15    5   13 o  571.326   19.822 133716.80  9195.36 129102.70 13016.29 138313.80 12992.14  557.899   28.832  578.614   27.654 -20.71570 39.95036 
1 1 1   15    5   14 o   90.545   6.8304  3351.50  498.472  2698.00  694.358  4046.43  716.033   80.670   10.878   99.324   8.9755 -18.65382 14.10285 
1 1 1   15    5   15 o  268.558   10.307 29380.15  2247.52 29226.81  3190.94 29531.12  3166.14  266.980   14.777  268.405   14.583 -1.424347 20.76103 
1 1 1   15    5   16 o   86.979   7.3610  3099.70  514.987  2910.16  744.456  3273.64  713.157   83.726   11.234   89.067   10.036 -5.341606 15.06413 
1 1 1   15    5   17 o  182.510   8.0108 13567.43  1187.14 12465.39  1686.10 14650.74  1671.71  174.185   11.995  189.081   10.935 -14.89548 16.23134 
1 1 1   15    5   18 o  103.990   7.8371  4435.58  656.872  5362.93  936.147  3536.19  921.930  114.032   10.219   91.929   12.689 22.10289 16.29267 
1 1 1   15    5   19 o   29.814   11.719  214.091  415.279  245.383  510.165  152.634  714.948   32.691   12.944   35.973   14.920 -3.281353 19.75213 
1 1 1   15    5   20 o   65.913   11.730  1848.86  604.770  1914.86  823.137  1771.44  891.495   66.284   15.561   63.650   16.948 2.633438 23.00806 
1 1 1   15    5   21 o  217.117   12.258 19710.80  2152.10 20702.19  4061.33 19323.74  2537.68  214.336   23.735  213.607   14.721 0.7289124 27.92955 
1 1 1   15    5   22 o   92.297   14.414  3695.69  1044.91  1997.38  2844.17  3960.69  1123.48   74.284   30.167   95.369   15.004 -21.08462 33.69203 
1 1 1   15    5   23 o  110.516   11.322  5196.11  1001.67  5293.62  1198.02  4969.58  1825.95  110.451   13.649  101.550   22.714 8.901550 26.49909 
1 1 1   15    5   24 o   50.247   15.304  1144.11  680.614  796.971  800.841  2046.97  1291.53   44.939   16.599   64.758   21.257 -19.81940 26.97006 
1 1 1   15    5   25 o  102.729   12.650  4730.30  1032.90  4656.77  1232.55  4903.74  1892.99   99.443   15.793   92.865   24.682 6.578018 29.30212 
1 1 1   15    7    0 o  644.445   31.295 170327.70 16375.92   0.0000   0.0000 170327.70 16375.92  ?   ?   644.445   31.295 0.000000 31.29548 
1 1 1   15    7    1 o  672.377   32.650 185435.80 17825.18 183762.70 25222.41 187105.41 25194.84  664.133   47.078  670.354   46.577 -6.220825 66.22514 
1 1 1   15    7    2 o  974.798   47.231 393296.91 37383.67 384765.31 52880.16 401821.09 52856.84  951.806   68.889  973.753   67.264 -21.94751 96.28201 
1 1 1   15    7    3 o  1065.06   51.655 469982.69 44670.83 452121.41 63195.59 487819.59 63152.62  1030.17   76.089  1072.25   72.971 -42.07617 105.4243 
1 1 1   15    7    4 o  430.441   14.551 75329.22  5085.78 72594.78  7184.84 78075.13  7199.94  422.228   20.957  437.919   20.249 -15.69113 29.14122 
1 1 1   15    7    5 o  931.844   36.307 355394.50 27471.21 376323.81 47661.38 344982.41 33617.09  949.646   62.154  916.064   45.196 33.58142 76.84895 
1 1 1   15    7    6 o  584.889   22.553 139285.30 10710.53 121783.60 18488.12 148126.20 13140.13  543.365   42.237  602.804   26.846 -59.43951 50.04658 
1 1 1   15    7    7 o  691.643   23.129 194810.59 12989.26 205452.70 18378.00 184188.09 18361.18  709.295   31.910  670.508   33.835 38.78796 46.50875 
1 1 1   15    7    8 o  759.500   25.734 235250.30 15870.02 233003.00 22451.95 237494.41 22435.25  754.110   36.667  761.415   36.289 -7.304810 51.58845 
1 1 1   15    7    9 o  572.519   19.254 133557.20  8950.37 139129.59 12671.38 128008.60 12644.14  583.357   26.752  559.395   27.838 23.96204 38.60811 
1 1 1   15    7   10 f  554.890   19.000 125653.40  8560.39 121721.70 12120.96 129565.90 12091.53  543.921   27.535  562.092   26.493 -18.17084 38.21060 
1 1 1   15    7   11 o  654.543   21.868 175478.70 11622.10 170647.80 16453.23 180289.59 16419.09  642.422   31.542  660.672   30.607 -18.24945 43.95131 
1 1 1   15    7   12 o  244.007   11.002 24233.73  2179.75 21954.72  3897.22 25271.22  2629.50  230.540   21.052  248.706   13.067 -18.16614 24.77736 
1 1 1   15    7   13 o  331.735   11.869 44830.38  3196.90 44213.55  4540.14 45436.98  4502.30  328.410   17.085  333.424   16.630 -5.014465 23.84249 
1 1 1   15    7   14 o  223.154   8.9052 20262.65  1613.57 21024.44  2299.66 19523.91  2264.60  226.717   12.541  218.413   12.826 8.304443 17.93817 
1 1 1   15    7   15 f   74.235   7.3572  2263.32  437.629  2798.51  606.209  1680.83  632.425   82.398   9.2188   63.046   12.791 19.35197 15.76733 
1 1 1   15    7   16 o  305.425   11.363 38072.55  2817.96 38283.20  4001.82 37865.35  3968.78  305.021   16.216  303.358   16.171 1.662323 22.90122 
1 1 1   15    7   17 o  370.664   13.371 56339.93  4024.25 55976.37  5709.64 56698.81  5672.83  367.052   19.225  369.530   18.971 -2.477783 27.00858 
1 1 1   15    7   18 o  217.940   9.1944 19421.38  1627.04 21893.01  2346.14 17131.31  2258.33  230.348   12.592  203.353   13.758 26.99542 18.65037 
1 1 1   15    7   19 o  161.607   10.690 10789.32  1394.85 10299.87  2895.34 10937.25  1591.74  152.684   24.158  162.307   12.167 -9.622467 27.04897 
1 1 1   15    7   20 o  151.486   10.707  9520.54  1308.49 13500.38  2921.18  8521.59  1463.52  175.738   20.880  142.624   12.773 33.11469 24.47726 
1 1 1   15    7   21 o  134.140   10.375  7495.03  1121.19  7256.28  1365.45  7989.14  1964.33  131.033   13.006  135.038   18.394 -4.005096 22.52716 
1 1 1   15    7   22 o  194.594   11.057 15873.80  1739.85 14998.73  2132.04 17618.21  3010.21  187.289   14.124  199.294   18.825 -12.00487 23.53440 
1 1 1   15    7   23 o   37.446   13.664  514.005  540.185  590.942  621.029  274.863  1094.90   39.977   14.641   43.093   18.206 -3.115692 23.36333 
1 1 1   15    7   24 o   84.712   11.401  3123.66  764.304  2941.94  971.586  3418.66  1237.96   79.994   15.518   84.391   18.570 -4.396652 24.20065 
1 1 1   15    7   25 o   41.293   14.671  737.432  617.857  494.745  690.660  1709.95  1382.58   38.106   15.069   57.750   21.715 -19.64393 26.43173 
1 1 1   15    9    0 o  136.824   9.5922  7643.11  1058.92   0.0000   0.0000  7643.11  1058.92  ?   ?   136.824   9.5922 0.000000 9.592217 
1 1 1   15    9    1 f  350.183   14.599 49865.22  4151.14 50507.08  7181.18 49543.12  5087.20  350.959   25.371  348.439   18.043 2.520355 31.13243 
1 1 1   15    9    2 o  164.399   10.455 11025.31  1388.34  9796.90  1971.65 12233.39  1955.27  154.384   15.959  172.899   14.049 -18.51469 21.26182 
1 1 1   15    9    3 o  781.617   29.263 249414.50 18571.63 264312.00 32285.24 242047.09 22704.05  798.870   50.025  768.821   36.370 30.04919 61.84841 
1 1 1   15    9    4 o  679.918   31.637 188821.30 17465.76   0.0000   0.0000 188821.30 17465.76  ?   ?   679.918   31.637 0.000000 31.63681 
1 1 1   15    9    5 o  886.059   42.237 321974.91 30387.55   0.0000   0.0000 321974.91 30387.55  ?   ?   886.059   42.237 0.000000 42.23715 
1 1 1   15    9    6 o  736.086   22.806 220630.70 13630.90 230818.09 19276.55 210442.41 19277.46  751.858   31.576  717.706   33.080 34.15210 45.73093 
1 1 1   15    9    7 o  291.843   10.478 34603.37  2482.94 39313.27  3515.87 29917.31  3506.96  310.986   13.924  270.761   16.023 40.22433 21.22743 
1 1 1   15    9    8 o  227.261   10.375 20987.65  1914.42 22517.13  2341.50 17903.64  3324.90  235.030   12.312  208.706   19.860 26.32422 23.36679 
1 1 1   15    9    9 o  338.509   12.895 46618.96  3544.19 46837.86  5016.67 46400.84  5007.83  338.452   18.323  336.857   18.378 1.595062 25.95203 
1 1 1   15    9   10 o  226.757   9.9118 20910.27  1824.95 20090.41  2233.94 22555.13  3164.22  221.812   12.454  234.556   16.724 -12.74451 20.85158 
1 1 1   15    9   11 o  239.926   8.6601 23404.93  1687.08 23064.62  2392.72 23741.39  2379.13  237.664   12.442  241.162   12.189 -3.498016 17.41815 
1 1 1   15    9   12 o  237.724   10.824 23003.85  2089.37 22943.03  3778.97 23030.63  2507.49  235.852   19.919  237.364   13.061 -1.512634 23.81938 
1 1 1   15    9   13 o  468.598   16.057 89747.21  6109.64 87794.12  8657.96 91684.48  8622.81  461.826   23.089  472.112   22.494 -10.28613 32.23450 
1 1 1   15    9   14 o  181.142   7.9768 13347.15  1173.23 13790.13  1677.21 12922.70  1641.76  183.600   11.306  177.692   11.440 5.907379 16.08367 
1 1 1   15    9   15 o  223.492   9.3981 20342.96  1705.45 21701.33  2430.63 19025.72  2393.55  230.129   13.062  215.314   13.763 14.81458 18.97435 
1 1 1   15    9   16 o  154.104   7.6164  9666.70  953.013 10491.23  1361.32  8874.21  1334.60  160.008   10.537  146.999   11.267 13.00912 15.42663 
1 1 1   15    9   17 o   75.563   12.203  2398.27  723.173  6331.05  1991.07  1800.61  776.180  121.575   20.925   64.852   15.033 56.72359 25.76504 
1 1 1   15    9   18 f  244.846   12.013 24674.06  2388.17 27571.72  4588.87 23597.73  2796.75  253.680   22.512  238.285   14.524 15.39507 26.79090 
1 1 1   15    9   19 o  164.469   9.8155 11153.61  1304.82 11831.21  1648.01 10015.20  2136.11  168.744   12.109  153.259   17.478 15.48515 21.26280 
1 1 1   15    9   20 o   86.434   9.8116  3117.43  676.391  3594.64  796.055  1878.34  1282.74   92.647   10.784   65.922   21.150 26.72460 23.74088 
1 1 1   15    9   21 o  143.669   8.5452  8532.20  992.342  8449.25  1350.13  8629.67  1463.48  141.818   11.833  142.956   12.742 -1.138397 17.38866 
1 1 1   15    9   22 o   81.834   11.078  2850.84  717.145  3138.21  904.678  2364.91  1176.42   85.010   13.562   71.565   19.647 13.44591 23.87347 
1 1 1   15    9   23 o   84.718   10.564  3066.38  710.890  3773.28  856.063  1495.93  1275.96   93.697   11.493   58.428   21.049 35.26900 23.98223 
1 1 1   15    9   24 o   72.533   12.277  2338.17  697.253  1863.44  839.019  3397.88  1253.55   62.723   16.319   83.382   18.946 -20.65883 25.00482 
1 1 1   15    9   25 o   62.983   13.624  1862.74  676.491  2214.58  735.850 -57.8975  1719.24   68.809   13.653   45.038   20.668 23.77127 24.77019 
1 1 1   15   11    0 o  639.079   31.083 166850.50 16129.11   0.0000   0.0000 166850.50 16129.11  ?   ?   639.079   31.083 0.000000 31.08261 
1 1 1   15   11    1 o  875.238   34.406 313331.19 24451.45 326400.19 42350.29 306796.31 29947.09  885.000   59.278  864.334   42.671 20.66589 73.03899 
1 1 1   15   11    2 o  805.725   56.101 269808.41 36473.71   0.0000   0.0000 269808.41 36473.71  ?   ?   805.725   56.101 0.000000 56.10131 
1 1 1   15   11    3 o  1122.93   78.817 532669.31 71408.78   0.0000   0.0000 532669.31 71408.78  ?   ?   1122.93   78.817 0.000000 78.81735 
1 1 1   15   11    4 o  685.169   27.489 191414.09 15293.17 189872.00 26633.63 192172.59 18679.56  677.613   48.733  685.804   33.545 -8.191589 59.16203 
1 1 1   15   11    5 o  624.295   22.736 158715.59 11525.04 192020.20 20092.87 142385.59 14069.62  684.118   36.302  590.706   29.334 93.41162 46.67245 
1 1 1   15   11    6 o  1054.52   41.743 456753.00 35741.29 473916.31 62032.74 448223.81 43729.27  1059.60   72.537  1041.40   51.715 18.20020 89.08495 
1 1 1   15   11    7 o  304.176   13.019 37617.99  3215.46 39730.20  5712.47 36638.39  3890.28  311.308   22.757  299.649   16.048 11.65973 27.84610 
1 1 1   15   11    8 o  547.102   19.953 122109.90  8863.64 119725.70 10847.80 126899.20 15374.72  541.039   24.693  554.087   34.343 -13.04761 42.29865 
1 1 1   15   11    9 o  495.734   20.275 100442.80  8161.18 95387.03 10009.18 110471.00 14096.75  481.459   25.696  515.776   33.848 -34.31680 42.49716 
1 1 1   15   11   10 f  151.930   6.4962  9378.89  801.385  7818.73  1120.19 11014.43  1146.94  138.279   10.046  164.370   8.6238 -26.09102 13.23951 
1 1 1   15   11   11 o  165.462   6.7499 11125.85  906.846  9684.58  1279.62 12580.07  1285.35  153.931   10.297  175.643   9.0433 -21.71260 13.70470 
1 1 1   15   11   12 o  344.838   14.616 48531.11  4092.38 46580.46  7279.43 49432.49  4948.39  334.697   27.016  347.179   17.612 -12.48175 32.24961 
1 1 1   15   11   13 o  422.989   14.703 73086.93  5049.81 71231.98  7154.05 74928.95  7129.05  415.674   21.268  427.037   20.560 -11.36227 29.58092 
1 1 1   15   11   14 o  185.766   8.0250 14040.12  1210.45 14181.23  1709.64 13898.28  1714.06  186.153   11.365  184.261   11.514 1.892380 16.17862 
1 1 1   15   11   15 o  296.191   12.900 35853.32  3102.36 40015.86  5649.05 34055.73  3712.27  310.033   22.596  287.741   15.952 22.29202 27.65911 
1 1 1   15   11   16 o   96.847   9.6347  3863.83  747.584  5125.40  1538.44  3473.83  855.365  110.108   17.816   91.426   11.798 18.68266 21.36832 
1 1 1   15   11   17 o   59.505   9.6131  1483.94  448.629  1606.11  543.080  1221.43  796.079   61.655   11.263   54.158   16.563 7.496819 20.03007 
1 1 1   15   11   18 o  258.921   11.341 27598.11  2384.27 29366.04  2956.47 24309.39  4032.31  265.897   13.741  238.221   21.064 27.67599 25.14932 
1 1 1   15   11   19 o   72.714   8.9451  2201.96  516.994  2274.76  687.107  2106.98  784.890   73.234   11.969   69.856   14.319 3.378868 18.66215 
1 1 1   15   11   20 o  176.187   9.4649 12835.11  1349.07 15708.12  1869.62  9714.34  1948.57  193.962   11.929  150.523   16.198 43.43909 20.11681 
1 1 1   15   11   21 o   58.720   10.636  1475.84  488.461  1545.95  587.133  1318.22  880.330   59.647   12.522   55.199   17.502 4.447838 21.51990 
1 1 1   15   11   22 o   31.733   12.001  320.919  423.668  525.462  481.100 -385.6370  894.163   36.928   12.963   33.610   15.223 3.318684 19.99465 
1 1 1   15   11   23 o   28.400   11.759  124.587  443.002 -63.9450  507.580  727.320  907.558   27.394   11.988   45.271   17.456 -17.87700 21.17573 
1 1 1   15   11   24 o   81.762   11.244  2937.95  726.713  2963.81  888.154  2885.56  1264.08   80.458   14.109   75.049   20.268 5.409416 24.69546 
1 1 1   15   13    0 o  244.013   13.840 24278.17  2730.75   0.0000   0.0000 24278.17  2730.75  ?   ?   244.013   13.840 0.000000 13.83957 
1 1 1   15   13    1 o  606.314   24.145 149755.00 11886.53 153002.30 20597.95 148133.70 14554.47  609.383   41.883  602.493   29.751 6.889954 51.37458 
1 1 1   15   13    2 o  740.904   35.772 224536.80 21520.19 237040.70 30461.85 212078.30 30406.50  757.036   49.835  715.085   52.741 41.95074 72.56126 
1 1 1   15   13    3 o  732.138   35.305 219262.09 20987.77 231018.91 29716.39 207560.91 29646.12  747.318   49.249  707.438   51.975 39.88025 71.60160 
1 1 1   15   13    4 o  1107.03   53.295 506768.00 47905.07 528338.62 67794.33 485256.31 67701.77  1118.13   75.109  1069.44   78.515 48.69055 108.6552 
1 1 1   15   13    5 o  1002.46   38.991 412685.59 31737.54 439761.69 55149.26 399278.09 38807.82  1021.63   66.851  982.931   48.625 38.69891 82.66474 
1 1 1   15   13    6 o  343.185   14.359 47911.44  4001.28 50022.53  7107.91 46932.10  4841.23  349.038   25.251  339.031   17.647 10.00751 30.80629 
1 1 1   15   13    7 o  551.589   27.041 124689.40 12110.75 128799.20 17205.57 120653.60 17049.85  556.750   38.293  538.457   39.268 18.29321 54.84800 
1 1 1   15   13    8 o  981.689   47.756 406102.50 38065.96 419607.91 54002.37 392764.81 53666.00  977.367   68.481  943.262   70.581 34.10455 98.34279 
1 1 1   15   13    9 o  392.592   16.274 62892.34  5187.66 63519.22  9179.20 62598.15  6288.18  391.345   29.095  390.690   19.888 0.6557312 35.24304 
1 1 1   15   13   10 o  557.545   22.360 127548.20 10122.65 127672.40 17734.65 127488.20 12328.15  550.183   39.972  555.974   27.309 -5.790161 48.40995 
1 1 1   15   13   11 o  340.885   12.063 47341.25  3338.86 44780.21  4734.04 49876.09  4709.76  330.410   17.710  349.349   16.604 -18.93921 24.27613 
1 1 1   15   13   12 f  355.503   14.784 51617.34  4267.62 55121.98  7627.52 50020.28  5148.98  364.248   25.960  348.955   18.236 15.29242 31.72454 
1 1 1   15   13   13 o  318.126   13.792 41335.29  3562.46 41713.63  6439.35 41168.43  4276.53  316.400   25.276  316.613   16.694 -0.2127075 30.29133 
1 1 1   15   13   14 o  315.975   17.340 41104.75  4431.69 40354.82  6481.80 41763.04  6072.87  310.417   25.955  316.582   23.799 -6.164764 35.21410 
1 1 1   15   13   15 o  220.022   10.941 19763.03  1954.69 19603.28  2397.60 20079.68  3375.47  218.393   13.588  219.748   19.108 -1.354767 23.44683 
1 1 1   15   13   16 o  267.084   12.034 29235.85  2609.80 30598.15  3229.12 26669.95  4431.67  272.239   14.662  251.505   21.920 20.73412 26.37199 
1 1 1   15   13   17 o   48.053   10.038  981.123  379.014  670.490  477.879  1507.85  622.283   40.643   12.896   59.319   13.254 -18.67523 18.49223 
1 1 1   15   13   18 f  150.337   7.7648  9268.14  944.599  9077.70  1320.15  9467.94  1352.16  148.022   11.064  151.179   11.093 -3.157333 15.66716 
1 1 1   15   13   19 o   46.244   10.999  919.160  406.993  1028.65  481.909  646.806  760.046   48.835   12.191   43.610   16.159 5.224495 20.24178 
1 1 1   15   13   20 o   69.195   8.9504  2005.16  491.087  2200.31  587.045  1550.23  896.302   72.199   10.306   59.391   17.440 12.80723 20.25784 
1 1 1   15   13   21 o   28.270   11.411  160.596  404.353 -401.9503  451.188  2456.06  911.410   22.069   10.287   74.371   15.591 -52.30150 18.67927 
1 1 1   15   13   22 o   96.337   9.2116  3902.04  711.773  4073.48  846.462  3488.18  1315.12   97.820   10.839   86.358   19.247 11.46188 22.08951 
1 1 1   15   13   23 o   53.547   12.614  1288.97  539.404  1828.49  623.399 -318.2641  1075.97   64.084   12.429   36.908   16.710 27.17569 20.82532 
1 1 1   15   13   24 o  107.034   9.6157  4942.87  826.766  4342.69  1011.11  6153.75  1436.17   97.931   13.040  114.084   15.939 -16.15273 20.59367 
1 1 1   15   15    0 o  752.502   36.603 232022.30 22364.83   0.0000   0.0000 232022.30 22364.83  ?   ?   752.502   36.603 0.000000 36.60328 
1 1 1   15   15    1 o  1797.74   72.033 1360201.00 105146.90 1355330.00 182145.91 1362636.00 128768.90  1722.05  131.255  1782.87   88.951 -60.81946 158.5570 
1 1 1   15   15    2 o  795.280   31.863 258722.00 20575.55 290036.19 35622.22 243044.20 25205.35  834.996   52.813  767.984   40.564 67.01166 66.59351 
1 1 1   15   15    3 o  803.643   38.767 265477.69 25296.65 283458.50 35826.68 247600.50 35723.29  824.082   53.838  768.408   57.677 55.67444 78.89978 
1 1 1   15   15    4 f  185.688   11.840 14074.53  1775.83 15393.76  2574.11 12876.45  2453.06  193.763   16.519  176.994   17.290 16.76941 23.91274 
1 1 1   15   15    5 o  497.623   24.845 101286.80 10038.53 100928.20 14269.42 101638.10 14124.94  493.520   35.854  495.404   35.347 -1.883331 50.34787 
1 1 1   15   15    6 o  364.534   27.565 54861.29  8098.61 54861.29  8098.61   0.0000   0.0000  364.534   27.565  ?   ?  0.000000 27.56482 
1 1 1   15   15    7 o  486.891   18.767 96848.59  7419.14 106938.40 13072.06 92054.04  9011.08  507.702   31.872  473.861   23.420 33.84024 39.55133 
1 1 1   15   15    8 o  414.492   17.810 70186.01  5994.05 62261.35 10601.82 73909.32  7267.00  385.774   34.201  424.816   21.068 -39.04242 40.16883 
1 1 1   15   15    9 o  257.221   12.045 26945.19  2515.65 23328.52  4575.91 28511.75  3011.60  237.048   24.110  264.068   14.097 -27.02011 27.92825 
1 1 1   15   15   10 o  245.087   11.676 24466.53  2323.47 21219.39  4288.03 25816.16  2764.48  225.900   23.732  251.247   13.602 -25.34596 27.35395 
1 1 1   15   15   11 o  238.778   11.757 23234.31  2279.36 17248.15  4233.92 25677.30  2704.77  202.609   26.361  250.532   13.344 -47.92297 29.54570 
1 1 1   15   15   12 o  512.031   26.142 108966.70 10832.25 108066.10 15514.10 109823.40 15131.31  503.341   38.246  508.267   36.917 -4.925659 53.15626 
1 1 1   15   15   13 o  347.411   18.438 49732.29  5182.62 52410.25  7572.18 47372.30  7108.43  353.928   26.543  336.518   26.222 17.40921 37.31097 
1 1 1   15   15   14 o   65.129   12.366  1790.26  630.044  3155.82  1466.02  1480.90  697.769   85.670   21.192   58.971   14.640 26.69881 25.75753 
1 1 1   15   15   15 o  269.858   10.059 29739.74  2204.02 32196.07  3161.11 27416.02  3074.60  280.033   13.902  257.827   14.748 22.20636 20.26768 
1 1 1   15   15   16 o   45.960   9.3120  894.598  335.596  1059.27  392.932  450.609  645.204   49.996   10.028   38.971   14.793 11.02538 17.87145 
1 1 1   15   15   17 o  155.090   8.5682  9875.14  1074.79 11933.69  1519.10  7811.78  1520.88  169.933   11.070  136.573   13.909 33.35954 17.77652 
1 1 1   15   15   18 o  147.329   8.3064  8925.56  989.606  9878.38  1368.58  7881.47  1432.64  154.303   10.995  137.124   13.024 17.17865 17.04437 
1 1 1   15   15   19 o  192.820   9.3546 15326.08  1464.59 16337.19  2060.98 14294.59  2081.65  197.339   12.934  184.006   14.039 13.33266 19.08856 
1 1 1   15   15   20 o  156.854   8.9737 10195.94  1138.16 10698.96  1524.78  9563.03  1710.35  159.500   11.858  149.599   14.253 9.900681 18.54087 
1 1 1   15   15   21 o  196.299   10.233 16140.10  1625.36 18895.08  2288.47 13335.70  2308.90  210.106   13.486  174.125   16.529 35.98065 21.33217 
1 1 1   15   15   22 o   51.965   11.192  1186.37  458.277  1257.26  498.334  797.835  1166.66   53.344   11.816   49.081   19.530 4.262753 22.82637 
1 1 1   15   15   23 o   32.616   11.486  420.414  377.926  620.412  403.132 -1030.5179  1085.82   37.712   11.829   32.110   15.268 5.602356 19.31409 
1 1 1   15   15   24 o   77.345   12.550  2741.12  761.146  2741.12  761.146   0.0000   0.0000   77.345   12.550  ?   ?  0.000000 12.55001 
1 1 1   15   17    0 o  823.418   40.316 280348.09 26954.74   0.0000   0.0000 280348.09 26954.74  ?   ?   823.418   40.316 0.000000 40.31593 
1 1 1   15   17    1 o  133.181   9.0057  7240.78  968.136  6248.80  1727.22  7695.21  1169.05  122.560   17.883  137.178   10.577 -14.61863 20.77703 
1 1 1   15   17    2 o  563.636   23.225 129856.70 10629.08 133900.30 18413.89 127836.20 13016.57  567.166   40.246  557.485   28.855 9.681396 49.52126 
1 1 1   15   17    3 o  519.233   37.738 112194.20 15801.61 112194.20 15801.61   0.0000   0.0000  519.233   37.738  ?   ?  0.000000 37.73817 
1 1 1   15   17    4 o  322.620   25.274 42938.71  6567.74 42938.71  6567.74   0.0000   0.0000  322.620   25.274  ?   ?  0.000000 25.27398 
1 1 1   15   17    5 o  338.406   18.217 46901.99  4987.02 45539.24  7139.75 48200.25  6968.77  331.770   26.731  341.708   25.296 -9.938324 36.80261 
1 1 1   15   17    6 o  361.713   14.753 53342.08  4333.09 55985.00  7797.94 52161.50  5211.78  367.990   26.271  356.868   18.045 11.12192 31.87098 
1 1 1   15   17    7 o  269.598   11.421 29588.20  2500.17 31323.07  4638.12 28877.62  2968.35  275.751   20.870  265.822   13.800 9.929657 25.01970 
1 1 1   15   17    8 o  411.629   21.115 69658.70  7033.62 73716.24 10087.46 65819.47  9812.34  420.956   29.703  397.344   30.650 23.61151 42.68166 
1 1 1   15   17    9 o   88.473   12.183  3248.93  851.963  3631.55  1374.36  3010.13  1085.74   92.513   18.934   84.400   16.434 8.112511 25.07162 
1 1 1   15   17   10 o  219.858   13.502 19797.00  2398.71 20928.64  3562.14 18858.09  3244.63  225.004   19.696  213.654   18.898 11.34937 27.29600 
1 1 1   15   17   11 o  318.091   17.311 41583.96  4454.29 43878.64  6521.74 39577.66  6098.20  324.701   24.927  308.398   24.556 16.30359 34.99102 
1 1 1   15   17   12 o  335.934   13.962 46136.02  3808.35 52237.80  6995.97 43566.42  4539.97  354.133   24.480  325.412   17.244 28.72073 29.94385 
1 1 1   15   17   13 o  387.952   17.397 61890.96  5480.29 50644.14  9911.84 66842.98  6577.04  342.173   36.226  401.797   20.224 -59.62430 41.48956 
1 1 1   15   17   14 o   76.104   12.373  2430.79  738.284   56.919  1998.77  2805.83  794.466   57.134   24.386   81.902   12.329 -24.76768 27.32533 
1 1 1   15   17   15 o  167.707   10.159 11551.79  1376.90 16311.13  3103.47 10385.38  1536.38  196.585   19.708  158.607   12.019 37.97850 23.08409 
1 1 1   15   17   16 o  300.217   13.565 37302.09  3306.72 45188.85  6400.21 34430.24  3862.12  322.711   24.611  286.602   16.668 36.10931 29.72421 
1 1 1   15   17   17 o  219.823   12.015 20048.83  2136.45 24120.79  4705.65 18991.52  2397.83  233.079   25.269  213.143   13.932 19.93634 28.85513 
1 1 1   15   17   18 o  100.545   12.463  4267.02  995.661  5405.96  2739.48  4093.67  1068.75  105.843   30.322   98.031   13.809 7.811913 33.31833 
1 1 1   15   17   19 o  114.991   12.282  5587.65  1129.05  3109.33  3611.10  5856.17  1188.65   86.208   34.342  117.614   12.645 -31.40589 36.59574 
1 1 1   15   17   20 o   47.589   17.622  832.891  903.595 -2772.6299  3514.60  1088.08  935.026   57.247   27.290   51.631   18.075 5.616150 32.73277 
1 1 1   15   17   21 o   93.275   17.508  3974.78  1277.31   0.0000   0.0000  3974.78  1277.31  ?   ?    93.275   17.508 0.000000 17.50815 
1 1 1   15   17   22 o   88.487   9.2108  3327.52  652.081  3473.03  760.339  2922.86  1267.94   89.771   10.638   76.929   20.083 12.84238 22.72664 
1 1 1   15   17   23 o   74.616   10.112  2433.09  596.867  2151.70  659.789  3700.87  1400.46   69.009   12.222   83.989   20.675 -14.98019 24.01734 
1 1 1   15   19    0 o  272.555   22.669 30645.56  4971.27   0.0000   0.0000 30645.56  4971.27  ?   ?   272.555   22.669 0.000000 22.66907 
1 1 1   15   19    1 o  513.786   26.447 108830.30 10995.74   0.0000   0.0000 108830.30 10995.74  ?   ?   513.786   26.447 0.000000 26.44716 
1 1 1   15   19    2 o  421.338   18.234 72528.23  6238.23 71375.24 10827.48 73101.13  7632.31  413.969   32.473  421.756   22.367 -7.787445 39.43060 
1 1 1   15   19    3 o  466.515   19.749 89033.65  7480.89 91111.77 12954.62 87993.95  9163.12  467.158   34.394  462.212   24.503 4.945557 42.22997 
1 1 1   15   19    4 o  710.921   35.760 211007.50 20576.57 205464.70 29208.07 216468.80 28992.47  690.668   52.475  710.433   50.591 -19.76489 72.89085 
1 1 1   15   19    5 o  522.953   26.779 113004.90 11332.60 108709.30 16137.52 117184.50 15918.17  507.732   39.454  528.258   37.352 -20.52570 54.33038 
1 1 1   15   19    6 o  537.946   27.193 119738.70 11839.33 123453.70 16876.29 116138.60 16613.47  541.128   38.664  524.454   39.299 16.67438 55.13020 
1 1 1   15   19    7 o  329.538   18.273 44579.08  4870.27 42801.78  7056.83 46195.57  6730.00  320.686   27.363  333.900   25.005 -13.21439 37.06740 
1 1 1   15   19    8 o  363.276   15.320 53911.18  4519.00 53732.21  8213.78 53988.87  5411.64  358.925   28.416  362.579   18.443 -3.653625 33.87638 
1 1 1   15   19    9 o  171.107   8.3704 11910.64  1162.93 16246.61  2414.08 10600.38  1327.05  198.826   15.065  161.021   10.203 37.80495 18.19505 
1 1 1   15   19   10 o  250.270   12.231 25553.07  2485.41 21796.33  4736.34 26980.65  2919.70  227.808   26.075  256.587   14.068 -28.77939 29.62803 
1 1 1   15   19   11 o  416.051   17.668 71082.68  5968.59 68515.91 10779.65 72217.48  7167.56  401.448   33.373  417.808   21.197 -16.35999 39.53559 
1 1 1   15   19   12 o   64.072   11.333  1725.16  568.037  761.584  1377.47  1922.59  623.522   54.711   21.390   67.650   11.779 -12.93912 24.41892 
1 1 1   15   19   13 o  369.042   15.822 56061.39  4741.04 62370.85  8801.58 53482.38  5627.18  382.465   28.548  358.732   19.391 23.73386 34.51060 
1 1 1   15   19   14 o  144.487   10.180  8584.29  1186.72  5831.14  3231.75  9013.39  1275.85  113.614   33.046  147.977   10.691 -34.36399 34.73238 
1 1 1   15   19   15 o   79.478   11.462  2650.18  718.312  4909.82  2341.76  2415.49  754.693  104.148   27.344   75.519   12.762 28.62895 30.17536 
1 1 1   15   19   16 o   63.733   15.165  1762.86  773.370 -1985.6830  2855.55  2059.57  803.395   55.961   26.017   69.024   14.781 -13.06266 29.92201 
1 1 1   15   19   17 o  137.877   11.018  7911.31  1223.15 14610.96  3255.48  6810.09  1319.85  181.561   22.570  127.251   12.955 54.31020 26.02351 
1 1 1   15   19   18 o   81.458   15.843  2906.75  1010.13  980.085  3480.64  3083.94  1055.56   73.797   31.849   83.881   16.083 -10.08402 35.68003 
1 1 1   15   19   19 o   99.442   14.683  4293.60  1149.90  7250.23  3412.90  3914.99  1221.30  116.077   34.016   94.053   16.599 22.02373 37.85030 
1 1 1   15   19   20 o  109.498   15.244  5280.85  1318.60 -18.0151  3935.12  5951.07  1399.51   68.415   31.349  116.376   15.172 -47.96043 34.82742 
1 1 1   15   19   21 o  101.924   16.001  4714.69  1280.63   0.0000   0.0000  4714.69  1280.63  ?   ?   101.924   16.001 0.000000 16.00118 
1 1 1   15   19   22 o   64.975   21.740  2198.55  1348.97   0.0000   0.0000  2198.55  1348.97  ?   ?    64.975   21.740 0.000000 21.74040 
1 1 1   15   21    0 o  189.458   13.760 14710.23  2102.33   0.0000   0.0000 14710.23  2102.33  ?   ?   189.458   13.760 0.000000 13.76017 
1 1 1   15   21    1 o  366.686   28.551 55898.24  8433.75   0.0000   0.0000 55898.24  8433.75  ?   ?   366.686   28.551 0.000000 28.55126 
1 1 1   15   21    2 f  456.147   24.211 85825.16  8935.23 79520.38 12756.16 91898.48 12519.80  434.678   36.480  468.910   33.095 -34.23233 49.25504 
1 1 1   15   21    3 o  371.409   20.271 56701.00  6089.94 55613.12  8750.74 57722.74  8480.56  365.236   29.766  372.622   28.240 -7.386292 41.03063 
1 1 1   15   21    4 o  122.899   12.560  6218.88  1235.74  8215.91  1875.84  4687.73  1642.52  140.811   16.734  105.256   19.949 35.55496 26.03841 
1 1 1   15   21    5 o  288.221   16.906 34084.28  3939.06 32614.78  5708.84 35419.65  5442.07  280.063   25.380  292.523   23.100 -12.45935 34.31874 
1 1 1   15   21    6 o  216.921   14.138 19286.87  2476.53 22630.06  3699.06 16571.00  3334.00  234.080   19.644  199.814   20.857 34.26555 28.65105 
1 1 1   15   21    7 o  284.704   14.198 33100.67  3282.16 26840.41  6156.98 35585.93  3879.32  251.975   30.730  294.488   16.287 -42.51285 34.77930 
1 1 1   15   21    8 o  101.373   7.4565  4201.96  609.448 10830.68  1722.86  3253.84  651.577  162.359   13.183   88.940   9.1532 73.41908 16.04874 
1 1 1   15   21    9 o  133.120   9.5225  7253.73  1022.48  5615.97  2411.53  7612.69  1128.99  114.014   26.545  136.301   10.277 -22.28697 28.46526 
1 1 1   15   21   10 o  112.014   9.3513  5146.68  842.740  5537.07  2159.74  5076.56  915.297  113.433   24.188  111.127   10.260 2.306068 26.27357 
1 1 1   15   21   11 o  173.950   10.985 12401.69  1543.62  7842.66  3308.60 13670.14  1745.20  133.511   31.099  182.529   11.839 -49.01714 33.27611 
1 1 1   15   21   12 o  206.527   11.219 17496.16  1874.31 18694.01  4047.60 17169.20  2114.70  209.725   24.214  204.263   12.815 5.462296 27.39598 
1 1 1   15   21   13 o  224.284   11.445 20688.02  2077.38 24080.41  4444.51 19739.73  2349.86  237.431   23.356  218.576   13.304 18.85497 26.87955 
1 1 1   15   21   14 o  230.537   12.224 21970.08  2279.94 19952.68  4877.11 22534.24  2579.10  211.062   29.244  232.958   13.695 -21.89622 32.29234 
1 1 1   15   21   15 o  142.061   10.673  8356.95  1222.16  9579.79  3670.47  8204.47  1296.12  142.051   32.524  140.543   11.458 1.508041 34.48299 
1 1 1   15   21   16 o  152.970   11.791  9757.02  1453.17 14705.32  4122.15  9054.80  1552.87  177.173   29.706  146.853   13.163 30.31903 32.49141 
1 1 1   15   21   17 o   77.903   14.841  2640.16  904.462  2631.97  3673.71  2640.69  933.185   84.315   34.268   77.758   15.325 6.557510 37.53872 
1 1 1   15   21   18 o   63.034   16.682  1775.61  867.093  201.403  3294.76  1892.76  898.776   67.316   29.952   65.011   16.878 2.305099 34.38003 
1 1 1   15   21   19 o  100.288   15.062  4420.39  1188.65 17642.55  4709.34  3520.74  1228.42  181.407   33.195   87.998   17.804 93.40855 37.66818 
1 1 1   15   21   20 o   71.108   19.055  2405.25  1122.48   0.0000   0.0000  2405.25  1122.48  ?   ?    71.108   19.055 0.000000 19.05512 
1 1 1   15   21   21 o   51.146   18.924  1141.35  1041.75   0.0000   0.0000  1141.35  1041.75  ?   ?    51.146   18.924 0.000000 18.92429 
1 1 1   15   21   22 o   72.363   26.604  3369.10  2053.25   0.0000   0.0000  3369.10  2053.25  ?   ?    72.363   26.604 0.000000 26.60434 
1 1 1   15   23    0 o  266.836   23.772 29568.90  5096.55   0.0000   0.0000 29568.90  5096.55  ?   ?   266.836   23.772 0.000000 23.77202 
1 1 1   15   23    1 o  334.888   19.381 46143.44  5247.49   0.0000   0.0000 46143.44  5247.49  ?   ?   334.888   19.381 0.000000 19.38092 
1 1 1   15   23    2 o  693.003   28.987 199485.41 16310.80 205992.20 28400.59 196283.00 19924.34  686.341   51.334  682.343   36.090 3.998596 62.75099 
1 1 1   15   23    3 o  554.509   23.387 126763.20 10529.71 123094.50 18323.48 128572.00 12866.31  535.716   42.473  555.671   28.614 -19.95453 51.21201 
1 1 1   15   23    4 o  261.696   13.949 28040.82  2953.28 29475.61  5177.45 27348.83  3595.61  266.121   24.226  257.854   17.273 8.267426 29.75339 
1 1 1   15   23    5 o  411.869   22.338 70127.22  7442.41 70717.47 10754.24 69584.70 10310.11  409.508   32.613  406.717   31.465 2.790710 45.31734 
1 1 1   15   23    6 o   63.228   16.345  1698.52  845.247  1791.69  1491.59  1654.45  1025.86   67.970   22.860   63.038   18.698 4.932484 29.53300 
1 1 1   15   23    7 o  331.488   19.093 45330.20  5117.35 45112.91  7490.33 45520.39  7007.80  327.564   28.445  329.833   26.388 -2.269470 38.79951 
1 1 1   15   23    8 o  427.803   18.992 75336.87  6596.96 68646.20 12071.53 78185.92  7877.29  398.901   37.717  434.100   22.425 -35.19879 43.88040 
1 1 1   15   23    9 o  334.706   14.608 45907.94  3969.98 47181.98  7608.51 45431.30  4653.70  334.000   28.322  331.904   17.328 2.096069 33.20263 
1 1 1   15   23   10 o  300.860   13.170 37083.74  3217.19 38272.06  6301.35 36664.78  3741.59  300.698   26.066  298.249   15.504 2.448669 30.32872 
1 1 1   15   23   11 o  195.268   9.7018 15578.13  1538.23 26690.88  3680.32 13225.89  1693.23  253.050   18.030  179.297   11.695 73.75336 21.49042 
1 1 1   15   23   12 o  216.095   11.016 19207.51  1926.50 27218.66  4514.84 17424.17  2130.16  252.674   22.232  205.307   12.843 47.36676 25.67525 
1 1 1   15   23   13 o   84.906   10.847  3010.55  730.697  4525.06  2881.61  2906.47  755.386   99.822   31.666   83.265   11.478 16.55717 33.68216 
1 1 1   15   23   14 o  124.717   10.843  6458.27  1087.07  7338.80  3718.36  6375.98  1136.74  122.542   35.391  123.760   11.442 -1.218437 37.19406 
1 1 1   15   23   15 o  180.984   11.683 13634.78  1707.64 11003.28  4353.96 14113.15  1856.37  147.434   36.552  183.814   12.512 -36.38002 38.63443 
1 1 1   15   23   16 o  104.763   13.118  4662.56  1091.40  9302.40  3431.77  4140.47  1151.17  137.194   31.475   97.993   14.941 39.20017 34.84131 
1 1 1   15   23   17 o   45.468   16.107  799.059  744.223  2847.71  3353.45  692.932  763.256   82.442   33.009   43.982   16.213 38.46074 36.77559 
1 1 1   15   23   18 o  201.016   13.281 17268.40  2155.50 21133.06  6214.81 16739.94  2298.15  185.624   42.191  196.993   14.469 -11.36928 44.60276 
1 1 1   15   23   19 o   33.415   15.439 -611.5594  982.549   0.0000   0.0000 -611.5594  982.549  ?   ?    33.415   15.439 0.000000 15.43897 
1 1 1   15   23   20 o   52.547   19.982  1166.63  1178.64   0.0000   0.0000  1166.63  1178.64  ?   ?    52.547   19.982 0.000000 19.98221 
1 1 1   15   23   21 o   59.092   20.461  1809.91  1196.61   0.0000   0.0000  1809.91  1196.61  ?   ?    59.092   20.461 0.000000 20.46112 
1 1 1   15   25    0 o  177.215   22.583 13165.28  3175.71   0.0000   0.0000 13165.28  3175.71  ?   ?   177.215   22.583 0.000000 22.58324 
1 1 1   15   25    1 f  348.034   29.032 50886.53  8129.39   0.0000   0.0000 50886.53  8129.39  ?   ?   348.034   29.032 0.000000 29.03223 
1 1 1   15   25    2 o  584.832   44.800 149036.20 21111.91   0.0000   0.0000 149036.20 21111.91  ?   ?   584.832   44.800 0.000000 44.79953 
1 1 1   15   25    3 o  177.169   15.128 12936.68  2155.32 12889.52  3235.57 12974.30  2889.83  175.068   23.343  176.325   20.571 -1.256989 31.11418 
1 1 1   15   25    4 o  382.316   18.239 60058.49  5661.86 54321.94  9895.68 62850.36  6903.48  356.656   34.607  389.487   21.918 -32.83142 40.96370 
1 1 1   15   25    5 o  229.773   14.251 21681.55  2645.71 16945.45  4622.29 23989.23  3226.52  199.090   29.485  241.268   16.571 -42.17773 33.82246 
1 1 1   15   25    6 o   29.337   13.258 -368.6787  673.978  1893.15  1210.42 -1385.0500  811.398   67.439   20.380   25.651   12.448 41.78869 23.88131 
1 1 1   15   25    7 o  187.490   15.949 14537.66  2404.88  9802.94  3778.31 17762.16  3118.04  149.307   32.119  206.696   18.784 -57.38913 37.20808 
1 1 1   15   25    8 o  175.432   9.0708 12582.16  1287.66 15590.85  3110.91 11960.12  1414.52  192.923   20.157  170.862   10.243 22.06023 22.61038 
1 1 1   15   25    9 o  144.997   9.6131  8623.41  1125.36 11321.83  3497.58  8311.79  1188.57  161.084   27.742  142.222   10.364 18.86194 29.61465 
1 1 1   15   25   10 o  410.882   17.214 70182.44  5742.98 77153.07 11075.45 67618.94  6716.48  417.017   32.978  400.740   20.712 16.27798 38.94304 
1 1 1   15   25   11 o  167.162   10.414 11509.88  1406.54 17054.59  4079.45 10761.82  1498.42  197.001   26.149  161.357   11.512 35.64401 28.57139 
1 1 1   15   25   12 o   63.562   11.830  1718.72  588.066  4816.03  2652.35  1558.60  603.076  102.135   30.004   60.292   12.719 41.84379 32.58840 
1 1 1   15   25   13 o   39.890   13.394  625.286  512.043 -817.5267  2646.17  681.411  521.907   58.490   26.367   41.192   13.512 17.29810 29.62801 
1 1 1   15   25   14 o  107.267   11.629  4826.47  996.597  5446.76  3341.17  4765.89  1044.13  105.133   34.174  106.378   12.316 -1.245140 36.32541 
1 1 1   15   25   15 f   88.959   13.737  3397.82  960.296  3585.63  3946.60  3386.00  990.051   90.777   35.983   88.630   14.240 2.146912 38.69843 
1 1 1   15   25   16 o   75.211   15.340  2496.80  905.061  9034.54  3894.80  2123.61  930.534  128.474   35.931   68.837   16.797 59.63776 39.66336 
1 1 1   15   25   17 o   33.828   15.286 -365.8770  895.586  1844.47  3910.91 -488.2018  920.034   76.830   33.458   33.349   15.235 43.48126 36.76336 
1 1 1   15   25   18 o   91.916   15.276  3782.67  1100.09   0.0000   0.0000  3782.67  1100.09  ?   ?    91.916   15.276 0.000000 15.27617 
1 1 1   15   25   19 o   60.552   19.272  1772.38  1066.64   0.0000   0.0000  1772.38  1066.64  ?   ?    60.552   19.272 0.000000 19.27180 
1 1 1   15   25   20 o   20.760   10.518 -2914.7930  892.813   0.0000   0.0000 -2914.7930  892.813  ?   ?    20.760   10.518 0.000000 10.51801 
1 1 1   15   27    0 o  301.404   19.332 37614.77  4706.14   0.0000   0.0000 37614.77  4706.14  ?   ?   301.404   19.332 0.000000 19.33185 
1 1 1   15   27    1 o  224.851   17.643 20921.87  3195.20   0.0000   0.0000 20921.87  3195.20  ?   ?   224.851   17.643 0.000000 17.64273 
1 1 1   15   27    2 o  309.140   19.695 39609.38  4917.94   0.0000   0.0000 39609.38  4917.94  ?   ?   309.140   19.695 0.000000 19.69504 
1 1 1   15   27    3 o  202.083   14.233 16813.17  2320.53 14175.45  4274.19 17915.62  2763.24  181.018   30.140  208.154   16.484 -27.13602 34.35295 
1 1 1   15   27    4 o  374.209   18.290 57774.58  5557.32 54908.31  9813.98 59127.48  6742.50  356.331   34.345  376.561   22.149 -20.23059 40.86794 
1 1 1   15   27    5 o  159.173   14.721 10490.02  1881.09  9716.27  3441.98 10819.55  2246.22  148.971   29.499  161.052   17.456 -12.08040 34.27722 
1 1 1   15   27    6 o  374.815   18.147 58166.86  5522.88 54887.29  9610.64 59783.92  6748.47  354.412   33.807  377.631   22.105 -23.21909 40.39244 
1 1 1   15   27    7 o  303.605   19.459 38566.85  4771.75 45325.29  7514.53 34000.30  6176.93  323.658   28.898  280.898   27.432 42.75964 39.84525 
1 1 1   15   27    8 o  290.318   11.572 34602.93  2727.80 51319.63  6260.80 30686.03  3030.58  347.731   22.292  272.443   13.744 75.28790 26.18809 
1 1 1   15   27    9 o  187.540   9.9684 14459.34  1512.49 21348.19  4474.49 13570.67  1607.09  221.185   25.373  181.430   10.961 39.75444 27.63961 
1 1 1   15   27   10 o  148.258   11.239  9103.61  1342.95  1497.36  4326.32  9914.67  1412.74   85.685   36.195  154.734   11.323 -69.04884 37.92518 
1 1 1   15   27   11 o  137.833   9.9052  7851.82  1101.16 14964.54  4247.47  7339.32  1140.14  179.848   30.154  133.051   10.643 46.79634 31.97661 
1 1 1   15   27   12 o  171.803   11.136 12257.79  1545.10 12083.86  4567.06 12280.27  1641.92  154.812   36.862  171.708   11.849 -16.89572 38.71939 
1 1 1   15   27   13 o   51.112   14.410  1130.43  623.784 -4213.0781  3298.34  1328.64  635.248   52.548   25.404   55.209   14.116 -2.661777 29.06247 
1 1 1   15   27   14 o   49.063   15.485  1021.07  689.755  3824.57  3613.98  915.089  702.672   90.689   34.870   47.192   15.688 43.49696 38.23642 
1 1 1   15   27   15 o   27.001   12.867 -945.4961  779.965 -1008.3290  4500.32 -943.5502  791.950   70.619   32.774   27.304   12.999 43.31542 35.25734 
1 1 1   15   27   16 o  183.601   13.201 14441.56  1954.89 17952.41  6525.30 14095.38  2049.00  158.538   47.188  180.738   14.073 -22.20085 49.24150 
1 1 1   15   27   17 o   72.222   18.166  2452.22  1064.30   0.0000   0.0000  2452.22  1064.30  ?   ?    72.222   18.166 0.000000 18.16593 
1 1 1   15   27   18 o   89.605   18.939  3889.26  1334.85   0.0000   0.0000  3889.26  1334.85  ?   ?    89.605   18.939 0.000000 18.93946 
1 1 1   15   27   19 o   91.754   18.027  4154.03  1295.14   0.0000   0.0000  4154.03  1295.14  ?   ?    91.754   18.027 0.000000 18.02716 
1 1 1   15   29    0 o  327.548   21.168 44981.10  5599.63   0.0000   0.0000 44981.10  5599.63  ?   ?   327.548   21.168 0.000000 21.16779 
1 1 1   15   29    1 o   70.448   21.892  2076.05  1384.38   0.0000   0.0000  2076.05  1384.38  ?   ?    70.448   21.892 0.000000 21.89178 
1 1 1   15   29    2 o  185.748   18.152 14447.44  2702.74   0.0000   0.0000 14447.44  2702.74  ?   ?   185.748   18.152 0.000000 18.15215 
1 1 1   15   29    3 o  109.082   20.876  5135.34  1781.62   0.0000   0.0000  5135.34  1781.62  ?   ?   109.082   20.876 0.000000 20.87554 
1 1 1   15   29    4 o  209.540   15.623 18262.89  2639.04 18854.71  5049.35 18040.47  3095.47  205.990   31.163  207.229   18.594 -1.239243 36.28883 
1 1 1   15   29    5 o  369.286   18.952 57232.03  5663.67 65581.96 10295.74 53608.89  6782.02  382.630   33.476  354.123   23.724 28.50690 41.02993 
1 1 1   15   29    6 o  268.656   17.049 30240.71  3699.85 28879.19  6892.11 30791.93  4385.30  250.833   34.775  269.441   20.191 -18.60773 40.21225 
1 1 1   15   29    7 o   81.735   21.829  2952.43  1476.09  5722.33  3775.70  2452.71  1603.72  110.835   36.343   75.379   23.585 35.45607 43.32506 
1 1 1   15   29    8 o  454.212   26.820 91299.38  9847.55 101206.70 14900.01 83615.52 13121.92  454.692   40.792  415.578   39.356 39.11407 56.68230 
1 1 1   15   29    9 o  188.856   10.901 14759.23  1664.58 17898.16  4947.07 14358.48  1767.65  195.050   32.372  185.977   11.766 9.072861 34.44371 
1 1 1   15   29   10 o   60.348   11.193  1552.26  528.253  179.860  3409.62  1586.01  534.710   70.653   30.991   61.013   11.206 9.640358 32.95462 
1 1 1   15   29   11 o  179.411   10.997 13385.21  1594.30 16576.80  5572.69 13100.69  1663.84  177.515   39.662  177.242   11.626 0.2724152 41.33081 
1 1 1   15   29   12 o   72.698   11.468  2249.52  654.503  2620.44  4008.69  2239.36  663.405   85.354   35.358   72.475   11.669 12.87840 37.23437 
1 1 1   15   29   13 o   98.304   12.742  4125.38  993.110  8400.06  4591.51  3915.58  1017.19  120.040   40.109   95.453   13.501 24.58650 42.32067 
1 1 1   15   29   14 o  161.666   11.945 11060.53  1556.88 12735.58  5773.50 10929.18  1616.77  137.455   44.934  160.385   12.514 -22.93021 46.64443 
1 1 1   15   29   15 o  131.581   13.121  7468.60  1383.16 19262.42  6586.31  6924.46  1414.71  162.239   47.172  126.119   14.054 36.12016 49.22141 
1 1 1   15   29   16 o   46.782   18.370  749.416  1019.64   0.0000   0.0000  749.416  1019.64  ?   ?    46.782   18.370 0.000000 18.37034 
1 1 1   15   29   17 o  139.298   15.141  8821.00  1684.93   0.0000   0.0000  8821.00  1684.93  ?   ?   139.298   15.141 0.000000 15.14080 
1 1 1   15   29   18 o  134.958   15.046  8490.87  1620.70   0.0000   0.0000  8490.87  1620.70  ?   ?   134.958   15.046 0.000000 15.04610 
1 1 1   15   31    0 o  196.895   19.213 16491.42  3032.47   0.0000   0.0000 16491.42  3032.47  ?   ?   196.895   19.213 0.000000 19.21292 
1 1 1   15   31    1 o   65.366   22.898  1673.37  1500.72   0.0000   0.0000  1673.37  1500.72  ?   ?    65.366   22.898 0.000000 22.89820 
1 1 1   15   31    2 o  183.323   19.443 14348.38  2850.01   0.0000   0.0000 14348.38  2850.01  ?   ?   183.323   19.443 0.000000 19.44331 
1 1 1   15   31    3 o  155.801   20.554 10479.93  2536.77   0.0000   0.0000 10479.93  2536.77  ?   ?   155.801   20.554 0.000000 20.55447 
1 1 1   15   31    4 o  189.333   17.986 15237.74  2731.78 19921.88  5825.56 13917.38  3092.93  203.985   36.513  179.061   21.717 24.92372 42.48355 
1 1 1   15   31    5 o  159.096   18.525 10848.49  2348.30  9962.37  5177.73 11077.97  2634.88  138.907   42.191  159.725   20.811 -20.81769 47.04401 
1 1 1   15   31    6 o   46.729   19.553  262.024  1243.49  3651.83  3996.39 -101.3439  1308.44   94.740   36.602   44.590   19.385 50.14933 41.41823 
1 1 1   15   31    7 o  124.243   21.805  6860.85  2119.50 -1933.0160  4906.50  8878.29  2350.08   74.579   34.473  142.102   21.001 -67.52246 40.36610 
1 1 1   15   31    8 o  109.366   22.971  5427.29  1975.02  5732.24  5162.77  5375.01  2137.61  108.250   41.663  107.945   24.897 0.3051910 48.53504 
1 1 1   15   31    9 o   71.252   9.4448  2128.34  532.952  1465.97  5120.58  2135.59  535.862   86.438   37.945   71.367   9.4822 15.07176 39.11182 
1 1 1   15   31   10 o  144.432   11.484  8738.99  1335.64  2963.84  6155.37  9024.34  1368.23   94.953   41.645  146.748   11.577 -51.79427 43.22401 
1 1 1   15   31   11 o   52.837   13.836  1224.13  600.592  6460.81  4585.92  1132.74  605.810  107.244   39.701   50.909   14.147 56.33527 42.14603 
1 1 1   15   31   12 o   92.166   12.494  3641.35  910.877 -1458.2300  6154.45  3755.56  921.020   77.759   36.791   93.651   12.418 -15.89187 38.83008 
1 1 1   15   31   13 o  119.456   12.051  6093.25  1152.92 -969.7443  6923.11  6294.72  1169.24   79.458   37.995  121.449   12.014 -41.99146 39.84884 
1 1 1   15   31   14 o  129.025   12.604  7189.80  1303.61   0.0000   0.0000  7189.80  1303.61  ?   ?   129.025   12.604 0.000000 12.60425 
1 1 1   15   31   15 o   97.568   14.770  4290.88  1133.54   0.0000   0.0000  4290.88  1133.54  ?   ?    97.568   14.770 0.000000 14.77042 
1 1 1   15   31   16 o   91.875   16.302  3979.43  1171.56   0.0000   0.0000  3979.43  1171.56  ?   ?    91.875   16.302 0.000000 16.30177 
1 1 1   15   31   17 o   69.155   23.433  2804.25  1567.41   0.0000   0.0000  2804.25  1567.41  ?   ?    69.155   23.433 0.000000 23.43310 
1 1 1   15   33    0 o  205.724   21.493 18525.12  3537.25   0.0000   0.0000 18525.12  3537.25  ?   ?   205.724   21.493 0.000000 21.49329 
1 1 1   15   33    1 o   53.934   22.079  603.962  1539.03   0.0000   0.0000  603.962  1539.03  ?   ?    53.934   22.079 0.000000 22.07927 
1 1 1   15   33    2 o   86.413   26.411  3418.60  2024.52   0.0000   0.0000  3418.60  2024.52  ?   ?    86.413   26.411 0.000000 26.41144 
1 1 1   15   33    3 o   50.762   21.006  448.402  1412.65   0.0000   0.0000  448.402  1412.65  ?   ?    50.762   21.006 0.000000 21.00602 
1 1 1   15   33    4 o  240.681   22.999 25715.47  4439.85   0.0000   0.0000 25715.47  4439.85  ?   ?   240.681   22.999 0.000000 22.99892 
1 1 1   15   33    5 o  293.649   19.497 37421.25  4622.21 47301.72  9239.71 34123.28  5338.18  304.662   38.190  275.770   24.082 28.89227 45.14881 
1 1 1   15   33    6 o  151.940   23.895 10512.29  2850.56  7762.21  6383.23 11197.34  3185.88  117.268   45.991  155.274   26.202 -38.00532 52.93112 
1 1 1   15   33    7 o  195.667   22.879 17287.19  3566.30 16683.34  7575.31 17459.13  4042.28  158.181   51.459  193.553   26.410 -35.37201 57.84062 
1 1 1   15   33    8 o  179.061   22.189 14521.12  3156.92 20387.57  7284.01 13164.31  3503.01  179.115   48.770  166.633   26.799 12.48219 55.64824 
1 1 1   15   33    9 f   72.235   10.618  2216.43  604.199  2835.53  6462.75  2210.97  606.857   92.304   41.444   72.124   10.686 20.17982 42.79975 
1 1 1   15   33   10 o   27.963   11.513  118.710  421.471  753.561  5568.81  115.053  422.683   80.809   37.126   27.932   11.519 52.87650 38.87150 
1 1 1   15   33   11 o   54.556   13.562  1321.52  598.153 -3768.8010  7290.06  1356.03  600.177   75.361   36.739   55.277   13.491 20.08477 39.13717 
1 1 1   15   33   12 o   85.032   13.209  3169.83  882.405  5066.43  7963.19  3146.25  887.873   91.082   42.703   84.636   13.363 6.445557 44.74555 
1 1 1   15   33   13 o   53.524   15.027  1310.20  679.828   0.0000   0.0000  1310.20  679.828  ?   ?    53.524   15.027 0.000000 15.02662 
1 1 1   15   33   14 o   50.488   17.215  1164.56  845.954   0.0000   0.0000  1164.56  845.954  ?   ?    50.488   17.215 0.000000 17.21468 
1 1 1   15   33   15 o   30.435   13.671 -165.5706  703.886   0.0000   0.0000 -165.5706  703.886  ?   ?    30.435   13.671 0.000000 13.67063 
1 1 1   15   35    0 f  139.647   27.681  9339.97  3027.75   0.0000   0.0000  9339.97  3027.75  ?   ?   139.647   27.681 0.000000 27.68052 
1 1 1   15   35    1 o  202.417   24.805 18874.67  3991.59   0.0000   0.0000 18874.67  3991.59  ?   ?   202.417   24.805 0.000000 24.80539 
1 1 1   15   35    2 f   65.505   27.748  871.868  2553.89   0.0000   0.0000  871.868  2553.89  ?   ?    65.505   27.748 0.000000 27.74790 
1 1 1   15   35    3 o  138.048   31.234  9566.62  3419.29   0.0000   0.0000  9566.62  3419.29  ?   ?   138.048   31.234 0.000000 31.23437 
1 1 1   15   35    4 o  207.216   26.517 20282.08  4359.22   0.0000   0.0000 20282.08  4359.22  ?   ?   207.216   26.517 0.000000 26.51699 
1 1 1   15   35    5 o  121.011   30.551  7454.84  3002.34   0.0000   0.0000  7454.84  3002.34  ?   ?   121.011   30.551 0.000000 30.55136 
1 1 1   15   35    6 o  191.530   23.827 17105.55  3625.37 23421.18  8161.98 15553.25  4046.45  179.971   52.566  177.198   29.137 2.773529 60.10100 
1 1 1   15   35    7 o  149.440   29.608 11337.60  3465.57 11916.95  8358.38 11217.32  3808.34  120.015   50.483  144.859   33.102 -24.84436 60.36731 
1 1 1   15   35    8 o   66.339   27.961  1312.79  2572.45  1591.12  7527.34  1275.99  2737.25   87.217   41.088   67.189   28.604 20.02763 50.06416 
1 1 1   15   35    9 o  101.701   30.087  5648.71  2658.83 -4167.0889  8354.71  6754.87  2804.65   76.917   37.870  111.413   30.232 -34.49611 48.45749 
1 1 1   15   35   10 o   86.617   11.111  3226.18  763.448 -2492.1550  8863.19  3268.92  766.296   77.864   38.463   87.216   11.070 -9.351578 40.02417 
1 1 1   15   35   11 f   36.945   13.453  517.867  523.260   0.0000   0.0000  517.867  523.260  ?   ?    36.945   13.453 0.000000 13.45344 
1 1 1   15   35   12 o   35.565   13.269  463.984  514.242   0.0000   0.0000  463.984  514.242  ?   ?    35.565   13.269 0.000000 13.26883 
1 1 1   15   35   13 o   94.253   14.431  4102.77  1069.23   0.0000   0.0000  4102.77  1069.23  ?   ?    94.253   14.431 0.000000 14.43074 
1 1 1   15   37    0 o  160.329   30.642 13314.09  3843.53   0.0000   0.0000 13314.09  3843.53  ?   ?   160.329   30.642 0.000000 30.64150 
1 1 1   15   37    1 o  236.440   28.125 27825.50  5293.52   0.0000   0.0000 27825.50  5293.52  ?   ?   236.440   28.125 0.000000 28.12480 
1 1 1   15   37    2 o  208.456   29.304 22042.25  4823.01   0.0000   0.0000 22042.25  4823.01  ?   ?   208.456   29.304 0.000000 29.30405 
1 1 1   15   37    3 o  136.942   34.099 10469.94  3777.01   0.0000   0.0000 10469.94  3777.01  ?   ?   136.942   34.099 0.000000 34.09898 
1 1 1   15   37    4 o  202.370   30.211 21314.10  4812.19   0.0000   0.0000 21314.10  4812.19  ?   ?   202.370   30.211 0.000000 30.21108 
1 1 1   15   37    5 o  239.440   29.858 29991.61  5678.72   0.0000   0.0000 29991.61  5678.72  ?   ?   239.440   29.858 0.000000 29.85769 
1 1 1   15   37    6 o   78.718   31.251  3164.87  2980.89   0.0000   0.0000  3164.87  2980.89  ?   ?    78.718   31.251 0.000000 31.25061 
1 1 1   15   37    7 o  115.156   33.961  8107.41  3392.28 24016.82 10665.59  6316.86  3578.08  126.874   55.252   98.938   35.290 27.93559 65.56000 
1 1 1   15   37    8 o  113.070   37.366  8977.31  3988.38   0.0000   0.0000  8977.31  3988.38  ?   ?   113.070   37.366 0.000000 37.36582 
1 1 1   15   37    9 o   68.948   30.039  2209.91  3155.78   0.0000   0.0000  2209.91  3155.78  ?   ?    68.948   30.039 0.000000 30.03927 
1 1 1   15   37   10 o  123.921   11.516  6718.35  1145.52   0.0000   0.0000  6718.35  1145.52  ?   ?   123.921   11.516 0.000000 11.51642 
1 1 1   15   37   11 o   97.267   12.242  4240.69  945.422   0.0000   0.0000  4240.69  945.422  ?   ?    97.267   12.242 0.000000 12.24201 
1 1 1   15   39    0 o   70.451   32.235  1310.76  4140.00   0.0000   0.0000  1310.76  4140.00  ?   ?    70.451   32.235 0.000000 32.23523 
1 1 1   15   39    1 o   66.009   31.615 -1092.3790  4837.14   0.0000   0.0000 -1092.3790  4837.14  ?   ?    66.009   31.615 0.000000 31.61550 
1 1 1   15   39    2 o  219.778   33.557 28582.44  5798.42   0.0000   0.0000 28582.44  5798.42  ?   ?   219.778   33.557 0.000000 33.55677 
1 1 1   15   39    3 o   81.935   33.837  4210.47  3654.61   0.0000   0.0000  4210.47  3654.61  ?   ?    81.935   33.837 0.000000 33.83661 
1 1 1   15   39    4 o   77.436   33.473  3546.76  3856.75   0.0000   0.0000  3546.76  3856.75  ?   ?    77.436   33.473 0.000000 33.47290 
1 1 1   15   39    5 o   89.519   36.296  6215.18  4110.43   0.0000   0.0000  6215.18  4110.43  ?   ?    89.519   36.296 0.000000 36.29631 
1 1 1   15   39    6 o   62.039   28.604  838.190  3346.46   0.0000   0.0000  838.190  3346.46  ?   ?    62.039   28.604 0.000000 28.60413 
1 1 1   15   39    7 o   73.567   33.004  3793.37  4089.21   0.0000   0.0000  3793.37  4089.21  ?   ?    73.567   33.004 0.000000 33.00371 
1 1 1   15   39    8 o   60.330   28.570  798.540  3727.11   0.0000   0.0000  798.540  3727.11  ?   ?    60.330   28.570 0.000000 28.56978 
1 1 1   15   39    9 o   54.783   12.537  1395.54  545.592   0.0000   0.0000  1395.54  545.592  ?   ?    54.783   12.537 0.000000 12.53671 
1 1 1   15   41    0 o   83.519   36.340  7158.83  4605.91   0.0000   0.0000  7158.83  4605.91  ?   ?    83.519   36.340 0.000000 36.34038 
1 1 1   15   41    1 o   68.070   31.285  2953.61  3959.28   0.0000   0.0000  2953.61  3959.28  ?   ?    68.070   31.285 0.000000 31.28460 
1 1 1   15   41    2 o   60.028   28.652  612.420  3899.98   0.0000   0.0000  612.420  3899.98  ?   ?    60.028   28.652 0.000000 28.65179 
1 1 1   15   41    3 o   79.372   35.281  6581.33  4560.27   0.0000   0.0000  6581.33  4560.27  ?   ?    79.372   35.281 0.000000 35.28073 
1 1 1   15   41    4 o   73.137   36.853 10673.43 10113.42   0.0000   0.0000 10673.43 10113.42  ?   ?    73.137   36.853 0.000000 36.85301 
1 1 1   15   41    5 o   69.175   35.251  9531.51 11125.88   0.0000   0.0000  9531.51 11125.88  ?   ?    69.175   35.251 0.000000 35.25081 
1 1 1   16    0    3 f  348.190   17.618 49689.09  4951.79 48932.61  7027.83 50434.92  6978.20  343.702   25.505  349.182   24.903 0.000000 0.000000 
1 1 1   16    0    4 o  562.306   27.557 129749.30 12512.82 123677.30 17717.79 135791.09 17673.89  545.408   40.522  572.547   38.414 0.000000 0.000000 
1 1 1   16    0    5 o  796.703   38.595 260992.30 24833.18 257652.30 35142.30 264323.69 35096.58  786.148   55.696  796.716   54.850 0.000000 0.000000 
1 1 1   16    0    6 o  630.754   30.500 163151.09 15537.49 171293.50 21995.94 155042.00 21950.79  643.470   42.526  611.105   44.791 0.000000 0.000000 
1 1 1   16    0    7 o  315.261   16.144 40698.48  4107.94 37772.69  5826.07 43591.24  5793.09  301.912   24.120  325.192   22.177 0.000000 0.000000 
1 1 1   16    0    8 o  1184.87   82.874 589964.19 78835.13   0.0000   0.0000 589964.19 78835.13  1184.87   82.874  1184.87   82.874 0.000000 0.000000 
1 1 1   16    0    9 o  409.402   20.201 68645.00  6677.90 79678.00  9462.52 57698.07  9425.54  440.024   26.710  372.323   31.707 0.000000 0.000000 
1 1 1   16    0   10 o  659.401   31.942 178770.09 17010.47 194442.80 24075.92 163148.00 24036.99  684.302   43.741  624.525   48.056 0.000000 0.000000 
1 1 1   16    0   11 o  380.499   19.026 59395.04  5844.65 67799.98  8292.05 51096.55  8239.37  405.205   25.432  349.861   29.486 0.000000 0.000000 
1 1 1   16    0   12 o  601.731   42.856 151974.30 20694.81 151974.30 20694.81   0.0000   0.0000  601.731   42.856  601.731   42.856 0.000000 0.000000 
1 1 1   16    0   13 o  526.659   26.035 114336.60 11071.21 117390.10 15685.48 111305.00 15628.78  529.731   36.878  515.217   37.828 0.000000 0.000000 
1 1 1   16    0   14 o  282.310   15.244 32742.96  3471.09 30064.82  4947.02 35340.04  4871.59  268.221   23.110  291.979   20.791 0.000000 0.000000 
1 1 1   16    0   15 o   47.942   16.166  1207.18  562.656  2216.35  919.580  603.286  711.354   66.561   19.580   32.839   18.187 0.000000 0.000000 
1 1 1   16    0   16 o   61.406   14.613  1771.99  632.344  2788.69  898.771  775.404  889.836   78.307   15.982   37.009   20.397 0.000000 0.000000 
1 1 1   16    0   17 o  219.802   12.993 19903.65  2300.29 21463.08  3356.47 18522.56  3158.73  226.720   18.517  210.174   18.859 0.000000 0.000000 
1 1 1   16    0   18 o   78.790   12.716  2722.62  749.972  2351.12  1241.35  2936.17  941.152   64.666   24.935   80.227   16.328 0.000000 0.000000 
1 1 1   16    0   19 o   48.487   20.158  1364.16  791.297  1854.26  1741.94  1236.73  888.231   54.762   29.070   45.079   21.365 0.000000 0.000000 
1 1 1   16    0   20 o  188.308   13.210 14788.69  1997.05 17681.84  3219.50 12979.31  2546.06  202.999   19.976  173.848   18.571 0.000000 0.000000 
1 1 1   16    0   21 f  136.507   13.366  7902.02  1448.85 12269.51  2685.94  6109.66  1720.65  167.154   20.634  116.102   20.044 0.000000 0.000000 
1 1 1   16    0   22 f  138.198   13.940  8159.83  1527.72  7883.53  2927.85  8263.19  1790.85  121.440   34.290  137.668   16.671 0.000000 0.000000 
1 1 1   16    0   23 f   28.444   17.645  280.086  814.158 -1965.8669  2068.01  692.045  885.684   30.427   21.412   34.664   19.860 0.000000 0.000000 
1 1 1   16    0   24 o   52.226   21.744  1668.68  920.422  2583.96  2518.67  1527.60  988.813   58.486   33.499   48.599   22.589 0.000000 0.000000 
1 1 1   16    2    0 o  451.346   22.350 83389.50  8190.67 74839.41 11579.78 91950.17 11586.93  424.043   33.916  471.361   30.437 -47.31784 45.57074 
1 1 1   16    2    1 o  894.625   64.734 347471.31 46705.56   0.0000   0.0000 347471.31 46705.56  ?   ?   894.625   64.734 0.000000 64.73409 
1 1 1   16    2    3 o  577.566   19.311 135994.91  9056.11 134193.20 12812.41 137793.59 12802.13  572.494   27.563  580.191   27.175 -7.697510 38.70652 
1 1 1   16    2    4 o  688.377   23.362 193307.59 13057.89 191035.30 18475.25 195575.59 18458.06  682.625   33.333  690.774   32.909 -8.149048 46.84073 
1 1 1   16    2    5 o  376.504   13.110 57622.27  4007.94 58584.25  5676.66 56666.08  5659.55  379.402   18.427  372.654   18.764 6.748016 26.29928 
1 1 1   16    2    6 o  863.840   29.091 304561.31 20404.35 310064.69 28865.84 299065.31 28846.39  869.371   40.892  853.653   41.617 15.71796 58.34512 
1 1 1   16    2    7 o  969.100   32.384 383530.50 25482.16 414778.00 36047.98 352320.31 36026.46  1005.27   44.163  924.348   48.167 80.92584 65.34879 
1 1 1   16    2    8 o  1164.54   45.397 557101.38 42925.95 524137.19 74354.77 573580.31 52571.62  1111.71   82.970  1178.43   54.943 -66.72388 99.51234 
1 1 1   16    2    9 o  1193.32   39.924 584671.31 38683.54 591128.88 54718.72 578219.31 54694.87  1193.22   56.478  1179.83   57.094 13.38806 80.30830 
1 1 1   16    2   10 o  753.235   25.368 231940.09 15515.00 235274.91 21952.91 228612.20 21930.14  756.060   35.760  745.139   36.246 10.92126 50.91744 
1 1 1   16    2   11 o  310.384   11.173 39189.30  2815.93 36434.39  3988.34 41927.67  3976.33  298.475   16.521  320.771   15.267 -22.29553 22.49499 
1 1 1   16    2   12 o  674.589   26.765 187305.91 14660.21 183299.41 25438.65 189298.20 17938.67  655.920   48.100  675.906   32.686 -19.98547 58.15488 
1 1 1   16    2   13 o  284.342   10.482 32903.73  2419.94 32675.38  3431.48 33129.66  3413.22  282.601   15.008  284.591   14.822 -1.989868 21.09364 
1 1 1   16    2   14 o  152.530   7.2581  9458.32  898.910  9564.24  1263.24  9349.67  1279.42  152.939   10.232  151.180   10.488 1.759903 14.65172 
1 1 1   16    2   15 o  396.019   14.100 64059.42  4533.90 62716.64  6415.94 65398.82  6407.88  390.063   20.328  398.968   19.781 -8.904358 28.36360 
1 1 1   16    2   16 o  115.955   7.4172  5491.97  694.683  5902.73  967.730  5055.27  997.820  119.943   10.029  110.768   11.250 9.175148 15.07138 
1 1 1   16    2   17 o   98.461   7.6579  3970.60  607.413  4984.78  854.272  2933.61  863.831  110.146   9.6492   83.674   13.148 26.47120 16.30884 
1 1 1   16    2   18 o  269.543   10.549 29731.10  2308.83 30432.25  3272.83 29036.47  3257.57  271.243   14.918  264.833   15.213 6.409637 21.30649 
1 1 1   16    2   19 o  156.994   8.5939 10112.41  1091.34 11213.56  1562.25  9062.88  1525.19  164.615   11.766  147.619   12.853 16.99530 17.42486 
1 1 1   16    2   20 o  155.075   8.7797  9895.60  1100.97 10162.26  1550.08  9624.12  1564.03  156.158   12.325  151.785   12.810 4.373199 17.77672 
1 1 1   16    2   21 o   38.129   13.824  514.342  551.629  188.172  655.753  1303.82  1020.21   34.910   14.366   56.192   18.906 -21.28215 23.74463 
1 1 1   16    2   22 o   64.164   13.379  1795.97  674.470  1490.82  885.278  2218.14  1041.29   58.137   17.398   70.122   18.148 -11.98465 25.14080 
1 1 1   16    2   23 o   50.970   18.065  1061.97  936.260  1357.19  2245.53  999.850  1030.07   64.423   26.556   50.905   18.821 13.51827 32.54915 
1 1 1   16    2   24 o  124.670   13.758  6839.81  1369.55  8278.37  3105.05  6492.36  1526.00  118.996   31.604  119.786   16.097 -0.7895050 35.46692 
1 1 1   16    2   25 o   38.368   15.012  504.643  678.942  1249.06  896.543 -496.2910  1039.60   51.517   17.718   34.391   15.887 17.12553 23.79752 
1 1 1   16    4    0 o  572.602   40.565 136964.70 18738.03   0.0000   0.0000 136964.70 18738.03  ?   ?   572.602   40.565 0.000000 40.56512 
1 1 1   16    4    1 o  307.751   13.210 38542.47  3300.88 35722.19  5778.83 39908.27  4021.50  294.452   24.390  312.590   15.897 -18.13818 29.11338 
1 1 1   16    4    2 o  705.431   34.338 204825.41 19668.47 194209.41 27833.40 215414.00 27797.48  679.703   50.799  717.312   48.003 -37.60901 69.89223 
1 1 1   16    4    3 o  830.709   32.063 282951.00 21626.48 293114.81 37519.07 277893.81 26465.46  835.582   55.618  821.097   39.696 14.48560 68.33080 
1 1 1   16    4    4 o  537.596   18.557 117654.70  8100.53 116110.20 11468.09 119192.60 11443.71  533.301   26.484  540.379   26.081 -7.077698 37.17026 
1 1 1   16    4    5 o  657.444   22.342 176075.80 11926.72 175995.41 16882.04 176155.80 16851.86  656.171   31.686  656.480   31.615 -0.3090820 44.76043 
1 1 1   16    4    6 o  1144.62   38.412 536639.88 35700.29 535498.12 50500.80 537780.50 50474.87  1138.27   54.640  1140.75   54.494 -2.477295 77.16955 
1 1 1   16    4    7 o  682.444   26.706 189831.91 14798.54 199212.30 25628.79 185140.00 18125.50  695.008   45.669  673.234   33.158 21.77362 56.43689 
1 1 1   16    4    8 o  961.632   32.378 377780.69 25281.39 371663.09 35768.65 383887.81 35737.95  950.717   46.335  966.434   45.543 -15.71674 64.97009 
1 1 1   16    4    9 o  353.278   12.545 50730.66  3598.44 51360.50  5103.31 50107.84  5074.73  355.251   17.692  350.428   17.895 4.822601 25.16410 
1 1 1   16    4   10 o  259.175   9.4584 27299.66  1990.44 28132.43  2827.95 26482.08  2802.04  262.627   13.305  254.760   13.595 7.866714 19.02219 
1 1 1   16    4   11 o  509.735   20.047 106200.20  8297.24 102065.70 10168.80 114436.20 14352.05  498.122   25.224  524.850   33.858 -26.72791 42.22111 
1 1 1   16    4   12 o  733.398   28.862 221965.30 17186.89 236493.70 29842.57 214755.00 21023.53  743.857   49.695  717.216   36.218 26.64136 61.49277 
1 1 1   16    4   13 o  188.129   7.7326 14388.33  1181.19 14972.69  1681.36 13818.89  1659.76  191.480   10.859  183.897   11.168 7.582153 15.57732 
1 1 1   16    4   14 o  417.911   14.684 71312.09  4982.83 70604.56  7061.24 72013.85  7032.41  414.067   21.072  418.789   20.681 -4.721985 29.52522 
1 1 1   16    4   15 o  132.364   7.2042  7145.60  771.356  6087.44  1086.50  8220.91  1095.27  121.713   11.117  141.775   9.5704 -20.06219 14.66882 
1 1 1   16    4   16 o  131.670   7.2758  7074.01  774.850  7121.41  1123.44  7031.00  1070.11  131.743   10.592  130.956   10.143 0.7871552 14.66511 
1 1 1   16    4   17 o  357.208   13.084 52247.47  3794.90 52632.66  5378.61 51865.65  5355.07  356.500   18.646  353.864   18.704 2.635742 26.41047 
1 1 1   16    4   18 o  191.442   8.7430 14965.23  1359.05 15646.01  1970.09 14347.11  1877.24  194.774   12.523  186.493   12.469 8.280853 17.67237 
1 1 1   16    4   19 o  155.897   8.2610  9966.65  1041.97 10104.51  1464.41  9825.29  1482.91  156.216   11.628  153.945   11.957 2.271866 16.67920 
1 1 1   16    4   20 o  249.112   10.150 25555.67  2053.04 25283.59  2915.08 25823.44  2891.92  245.490   14.692  248.257   14.408 -2.767349 20.57808 
1 1 1   16    4   21 o  229.950   12.564 22126.22  2336.88 20899.72  4339.28 22627.25  2773.41  213.954   25.479  231.191   14.853 -17.23750 29.49230 
1 1 1   16    4   22 o   76.654   15.603  2595.30  938.137  2738.92  2705.70  2575.68  1000.18   79.177   30.236   75.988   16.669 3.189713 34.52613 
1 1 1   16    4   23 o   71.741   13.878  2271.73  779.156  1782.10  895.667  3795.00  1579.80   62.512   17.135   88.953   21.996 -26.44083 27.88287 
1 1 1   16    4   24 o   25.738   11.984 -481.8637  609.531 -143.9364  731.158 -1251.8101  1103.65   31.863   14.147   31.641   15.141 0.2220249 20.72130 
1 1 1   16    4   25 o   46.072   15.045  973.907  647.340  1321.96  719.070 -514.1644  1486.84   52.687   15.660   40.810   18.904 11.87674 24.54787 
1 1 1   16    6    0 o  913.440   65.101 356574.69 47968.11   0.0000   0.0000 356574.69 47968.11  ?   ?   913.440   65.101 0.000000 65.10067 
1 1 1   16    6    1 o  899.119   43.631 334833.91 31853.21 338579.69 45060.16 331092.41 45034.32  892.959   62.542  882.540   63.265 10.41852 88.96042 
1 1 1   16    6    3 o  593.165   19.325 143272.50  9307.37 141932.30 13155.14 144615.91 13170.09  589.481   27.484  595.057   27.258 -5.576233 38.70903 
1 1 1   16    6    4 o  235.189   9.2454 22469.97  1765.56 23691.85  2493.06 21240.59  2500.70  241.095   12.781  228.184   13.558 12.91109 18.63250 
1 1 1   16    6    5 o  807.928   26.869 266206.69 17626.11 269593.50 24933.80 262823.59 24920.38  811.250   37.853  800.910   38.321 10.33972 53.86360 
1 1 1   16    6    7 o  804.142   26.760 263593.09 17472.68 281834.09 24723.11 245390.50 24697.12  830.026   36.684  773.062   39.477 56.96375 53.88992 
1 1 1   16    6    8 o  384.564   13.610 60113.64  4249.71 59668.88  6023.84 60554.33  5996.25  382.405   19.465  385.743   19.144 -3.337982 27.30181 
1 1 1   16    6    9 o  184.048   7.4930 13759.29  1119.76 14158.42  1601.31 13377.36  1566.44  186.347   10.627  181.111   10.699 5.235779 15.08027 
1 1 1   16    6   10 o  635.362   21.357 164917.41 11017.71 157383.91 15597.87 172419.09 15564.96  617.747   31.198  647.798   29.592 -30.05121 42.99969 
1 1 1   16    6   11 o  674.365   26.469 186973.70 14493.50 179545.59 17760.17 201783.30 25077.12  657.616   33.370  691.164   44.929 -33.54773 55.96575 
1 1 1   16    6   12 o  305.062   12.923 37912.05  3200.93 37476.33  5653.98 38117.57  3883.15  301.273   23.294  305.237   15.721 -3.964081 28.10274 
1 1 1   16    6   13 o  400.777   13.961 65512.10  4543.09 64964.41  6441.21 66054.27  6408.70  397.645   20.014  401.524   19.657 -3.879242 28.05261 
1 1 1   16    6   14 o  503.627   17.496 103851.70  7154.73 103225.50 10135.84 104473.50 10100.88  499.920   24.970  503.015   24.731 -3.094910 35.14435 
1 1 1   16    6   15 o  304.361   11.424 37770.16  2823.26 38507.32  4009.75 37045.40  3975.84  306.241   16.183  300.317   16.366 5.924347 23.01629 
1 1 1   16    6   16 o  367.441   13.367 55204.83  3988.11 56268.34  5660.90 54156.86  5619.40  369.181   18.948  362.095   19.181 7.085724 26.96235 
1 1 1   16    6   17 o  269.516   10.635 29671.69  2327.26 29328.94  3313.05 30005.56  3269.87  266.643   15.367  269.815   14.984 -3.172058 21.46372 
1 1 1   16    6   18 o  219.181   9.4205 19645.65  1676.55 21063.53  2405.52 18306.35  2337.92  225.805   13.177  210.288   13.768 15.51733 19.05803 
1 1 1   16    6   19 o   88.162   11.574  3255.77  808.511  4651.56  1785.74  2895.87  906.776  102.465   22.112   82.462   14.046 20.00275 26.19641 
1 1 1   16    6   20 o   63.259   13.471  1727.43  670.734  833.465  1749.96  1881.37  726.193   58.549   23.702   65.962   13.992 -7.412727 27.52443 
1 1 1   16    6   21 o   78.939   11.158  2635.14  695.228  2792.12  832.501  2273.34  1263.85   80.709   13.157   71.116   20.660 9.592751 24.49380 
1 1 1   16    6   22 o  116.720   10.206  5706.77  957.527  5638.54  1168.98  5845.87  1669.23  115.049   12.727  114.283   18.630 0.7659073 22.56247 
1 1 1   16    6   23 o   80.638   11.553  2797.10  734.797  2352.33  912.241  3618.79  1239.93   72.085   16.003   88.916   17.795 -16.83119 23.93253 
1 1 1   16    6   24 o   44.506   15.390  842.249  676.871  530.464  867.908  1326.29  1081.41   41.928   16.791   54.387   19.400 -12.45918 25.65748 
1 1 1   16    6   25 o   48.358   15.470  1100.17  686.621  537.255  789.099  2855.05  1393.26   40.031   16.018   72.331   21.867 -32.29942 27.10611 
1 1 1   16    8    0 o  684.532   33.180 192013.30 18441.88   0.0000   0.0000 192013.30 18441.88  ?   ?   684.532   33.180 0.000000 33.17976 
1 1 1   16    8    1 o  361.561   15.066 53170.09  4422.88 57479.59  7647.65 51004.31  5421.52  374.464   25.301  353.428   18.961 21.03601 31.61747 
1 1 1   16    8    2 f  784.335   37.883 252461.20 24125.78 253211.59 34129.25 251711.59 34108.78  779.359   54.271  776.987   54.408 2.372070 76.84792 
1 1 1   16    8    3 o  1311.94   94.076 744206.62 99549.62 744206.62 99549.62   0.0000   0.0000  1311.94   94.076  ?   ?  0.000000 94.07649 
1 1 1   16    8    4 o  370.896   14.522 55922.31  4373.44 66462.80  7655.75 50816.21  5328.46  403.235   23.484  352.916   18.661 50.31885 29.99579 
1 1 1   16    8    5 o  715.914   27.875 209012.50 16203.47 209891.80 27968.44 208568.30 19879.61  712.590   48.629  714.337   34.274 -1.747498 59.49334 
1 1 1   16    8    6 o  156.754   9.4065 10016.58  1191.72  5189.29  1989.69 12717.04  1488.17  110.870   22.862  176.624   10.423 -65.75401 25.12549 
1 1 1   16    8    7 o  920.441   30.355 345913.09 22686.10 369523.81 32090.12 322323.31 32075.88  948.968   41.647  884.462   44.811 64.50543 61.17555 
1 1 1   16    8    8 o  319.166   10.634 41393.23  2755.93 41106.91  3904.67 41677.43  3890.31  317.915   15.126  320.120   14.967 -2.204620 21.27950 
1 1 1   16    8    9 o  349.204   12.432 49596.50  3525.11 51487.15  4995.37 47721.07  4975.20  355.497   17.306  341.732   17.994 13.76529 24.96525 
1 1 1   16    8   10 f  260.744   10.825 27654.41  2291.83 28810.79  2812.80 25370.42  3953.07  266.027   13.022  248.424   19.761 17.60284 23.66573 
1 1 1   16    8   11 o  573.870   18.827 134617.20  8772.93 132384.59 12424.03 136837.59 12389.65  567.062   26.983  576.674   26.460 -9.611877 37.79188 
1 1 1   16    8   12 o  284.834   12.327 33047.25  2850.86 33158.76  5075.37 32995.85  3445.83  283.414   22.233  283.996   14.996 -0.5817261 26.81817 
1 1 1   16    8   13 o  246.888   9.4177 24801.77  1887.92 23271.44  2687.66 26292.37  2652.54  238.430   13.943  253.623   12.923 -15.19261 19.01143 
1 1 1   16    8   14 o  220.602   8.8514 19803.19  1585.47 18231.45  2256.91 21334.59  2227.76  210.955   13.243  228.433   12.053 -17.47762 17.90726 
1 1 1   16    8   15 o   68.331   8.0273  1925.84  436.891  1344.60  626.446  2476.27  609.611   56.254   13.816   77.336   9.9380 -21.08202 17.01859 
1 1 1   16    8   16 o  347.928   12.769 49495.57  3607.40 51820.00  5124.56 47212.28  5079.02  354.377   17.867  337.991   18.578 16.38596 25.77569 
1 1 1   16    8   17 o  251.127   11.833 25824.88  2412.90 25775.88  4405.73 25845.87  2883.86  247.342   22.173  250.358   14.245 -3.016357 26.35444 
1 1 1   16    8   18 o  155.528   10.166  9954.27  1276.76 15325.83  2779.00  8517.08  1437.45  190.648   18.172  143.304   12.478 47.34453 22.04389 
1 1 1   16    8   19 o  183.506   13.077 14022.68  1935.72 16795.28  3155.75 12350.20  2450.98  197.803   19.920  170.240   18.004 27.56223 26.85058 
1 1 1   16    8   20 o   44.762   13.560  844.283  535.364  889.950  594.369  647.931  1232.47   46.117   14.347   50.288   20.053 -4.170559 24.65671 
1 1 1   16    8   21 o  178.942   9.1875 13247.66  1330.40 12334.12  1844.10 14239.19  1921.19  170.849   13.401  183.868   12.951 -13.01924 18.63637 
1 1 1   16    8   22 o  123.149   9.4642  6330.04  939.114  6446.46  1236.70  6171.47  1443.33  123.033   12.555  119.049   15.284 3.984070 19.78007 
1 1 1   16    8   23 o   63.622   12.346  1777.41  614.799  1912.71  737.612  1469.50  1112.71   65.337   14.301   57.469   19.740 7.867489 24.37606 
1 1 1   16    8   24 o   41.852   13.746  761.196  540.028  1363.43  618.069 -1182.0410  1110.24   54.561   13.909   31.911   15.247 22.64998 20.63816 
1 1 1   16    8   25 o   42.062   14.533  791.063  603.506  829.818  675.559  637.901  1342.99   43.177   15.341   46.578   19.937 -3.400684 25.15648 
1 1 1   16   10    0 o  787.012   38.046 253970.91 24312.49   0.0000   0.0000 253970.91 24312.49  ?   ?   787.012   38.046 0.000000 38.04606 
1 1 1   16   10    1 o  556.514   22.351 126155.60 10099.65 123669.10 17491.12 127399.30 12370.20  547.679   39.600  558.798   27.264 -11.11908 48.07733 
1 1 1   16   10    2 o  927.141   44.642 353403.41 33606.80 366583.81 47542.04 340239.50 47512.36  936.580   62.881  901.110   65.382 35.46997 90.71290 
1 1 1   16   10    3 o  1000.59   69.905 420222.00 56437.14   0.0000   0.0000 420222.00 56437.14  ?   ?   1000.59   69.905 0.000000 69.90463 
1 1 1   16   10    4 o  582.447   28.753 138378.20 13597.87   0.0000   0.0000 138378.20 13597.87  ?   ?   582.447   28.753 0.000000 28.75255 
1 1 1   16   10    5 o  531.977   19.675 115147.40  8498.44 144998.50 14829.71 100550.20 10370.18  595.228   30.789  496.053   25.836 99.17493 40.19297 
1 1 1   16   10    6 o  832.539   30.811 283058.31 20828.31 359563.91 36191.30 245170.41 25468.78  933.274   47.921  772.077   40.771 161.1965 62.91801 
1 1 1   16   10    7 o  614.416   21.368 153797.50 10660.31 172405.20 15079.08 135205.30 15072.82  649.630   28.587  573.879   32.480 75.75122 43.26893 
1 1 1   16   10    8 o  781.307   29.400 250141.70 18651.20 262979.00 22839.51 224443.80 32314.58  799.510   35.182  729.874   54.930 69.63562 65.23103 
1 1 1   16   10    9 o  110.841   6.9078  5010.72  618.608  4535.04  756.742  5968.85  1074.00  105.249   8.9396  120.634   11.089 -15.38523 14.24355 
1 1 1   16   10   10 o  185.864   8.0886 14041.87  1220.69 14348.96  1724.53 13733.49  1728.11  187.430   11.386  183.322   11.670 4.108093 16.30421 
1 1 1   16   10   11 o  221.963   8.0797 20029.07  1456.18 18397.08  2064.93 21643.53  2053.80  212.215   12.033  230.604   10.969 -18.38904 16.28220 
1 1 1   16   10   12 o  495.325   20.454 100594.60  8226.33 86710.07 14406.60 107311.90 10020.59  452.267   39.631  510.603   24.170 -58.33594 46.41949 
1 1 1   16   10   13 o  263.233   9.6777 28203.67  2068.47 27709.71  2937.90 28689.23  2912.79  260.190   13.957  264.817   13.592 -4.626801 19.48203 
1 1 1   16   10   14 o  402.926   14.587 66361.55  4772.46 68959.87  6770.21 63795.13  6728.53  409.423   20.365  393.044   21.161 16.37833 29.36921 
1 1 1   16   10   15 o   49.423   12.482  1036.23  501.031  1275.17  1286.96  993.550  543.945   59.631   21.175   48.562   13.371 11.06919 25.04368 
1 1 1   16   10   16 o   72.005   11.638  2171.98  657.196  2036.24  1500.53  2204.20  731.040   70.793   22.893   72.319   12.924 -1.526260 26.28860 
1 1 1   16   10   17 o  113.446   8.8452  5286.12  808.331  5713.41  998.581  4473.97  1376.71  117.690   10.562  102.591   17.131 15.09853 20.12545 
1 1 1   16   10   18 o  390.179   16.386 63524.07  5191.30 67519.16  6401.35 55848.83  8872.67  399.848   19.717  352.454   31.330 47.39377 37.01824 
1 1 1   16   10   19 o   80.416   8.3710  2677.69  538.569  4216.45  713.722  642.863  820.745  101.021   8.7888   44.558   16.736 56.46285 18.90308 
1 1 1   16   10   20 o  130.656   8.5048  7043.42  897.342  6856.48  1216.20  7266.79  1329.41  127.949   11.841  131.488   12.606 -3.539116 17.29533 
1 1 1   16   10   21 o   73.266   10.032  2264.16  581.122  2471.51  694.124  1778.25  1062.59   76.156   11.591   63.209   19.094 12.94675 22.33659 
1 1 1   16   10   22 o   53.877   13.281  1281.53  577.273  828.260  718.418  2107.49  969.782   45.427   15.847   68.012   17.469 -22.58446 23.58602 
1 1 1   16   10   23 o   42.134   13.570  761.530  527.654  109.902  613.617  2610.78  1033.70   32.298   13.637   74.920   17.336 -42.62157 22.05704 
1 1 1   16   10   24 o   61.138   12.713  1690.78  610.509  1535.54  711.419  2124.54  1189.18   57.229   15.093   64.795   20.315 -7.565884 25.30836 
1 1 1   16   12    0 o  418.943   21.214 71628.92  7192.88   0.0000   0.0000 71628.92  7192.88  ?   ?   418.943   21.214 0.000000 21.21427 
1 1 1   16   12    1 o  905.343   35.570 335234.09 26148.11 330341.31 45295.00 337679.81 32022.95  889.620   63.115  906.987   43.483 -17.36774 76.64431 
1 1 1   16   12    2 o  763.648   36.818 238609.50 22829.20 251451.20 32309.43 225806.00 32261.36  779.461   51.337  737.639   54.245 41.82141 74.68624 
1 1 1   16   12    3 o  808.584   38.915 267758.69 25549.49 278097.91 36163.61 257455.09 36101.34  818.860   54.705  787.079   56.872 31.78192 78.91215 
1 1 1   16   12    4 o  733.104   23.065 218891.80 13729.57 301686.00 23943.65 178333.30 16758.35  858.989   34.329  660.830   31.232 198.1585 46.41068 
1 1 1   16   12    5 o  291.959   10.406 34631.03  2466.94 50284.37  4443.23 27655.41  2966.11  351.650   15.561  260.445   14.078 91.20483 20.98465 
1 1 1   16   12    6 o  298.431   11.682 36198.02  2830.76 48247.88  5061.85 30714.63  3414.62  343.788   18.198  274.357   15.390 69.43106 23.83352 
1 1 1   16   12    7 o  694.646   26.051 197386.09 14693.68 235109.70 25597.81 178847.80 17944.49  752.485   42.064  658.738   33.661 93.74670 53.87448 
1 1 1   16   12    8 o  288.060   15.373 33901.85  3582.71 33603.08  5217.54 34168.41  4928.25  285.727   22.676  288.381   21.195 -2.653748 31.03919 
1 1 1   16   12    9 o  162.428   8.8695 10758.31  1165.33  9308.99  2197.75 11325.17  1374.46  149.849   18.453  166.549   10.213 -16.69978 21.09047 
1 1 1   16   12   10 o  443.705   14.531 80271.45  5235.05 75135.83  7413.74 85378.75  7393.26  428.220   21.322  456.741   19.936 -28.52017 29.19009 
1 1 1   16   12   11 o  414.320   13.200 69969.77  4440.55 67806.82  6291.63 72116.63  6268.20  406.993   19.039  419.845   18.387 -12.85129 26.46814 
1 1 1   16   12   12 o  102.604   8.4545  4311.00  698.083  4418.27  1444.80  4278.33  797.329  102.413   18.033  102.068   9.7389 0.3452377 20.49498 
1 1 1   16   12   13 f  146.744   9.2578  8799.67  1097.43  5406.01  2161.47  9978.33  1273.82  112.288   24.404  156.210   10.097 -43.92268 26.41033 
1 1 1   16   12   14 o  329.261   14.476 44339.94  3870.10 39291.87  6977.31 46583.16  4651.16  305.549   28.450  336.585   17.075 -31.03516 33.18090 
1 1 1   16   12   15 o   82.957   8.3078  2830.13  552.080  3196.19  647.632  1856.83  1056.02   88.094   9.1894   66.259   18.773 21.83456 20.90119 
1 1 1   16   12   16 o   78.583   8.3088  2545.22  522.116  2677.05  628.456  2251.50  938.072   80.382   9.8341   72.495   16.329 7.886375 19.06133 
1 1 1   16   12   17 o  256.276   9.7630 26886.44  2031.55 26677.25  2887.57 27091.48  2858.73  253.780   14.068  255.839   13.813 -2.059357 19.71566 
1 1 1   16   12   18 o  266.357   10.652 29185.69  2303.77 31990.80  3280.81 26457.20  3235.70  276.895   14.644  251.104   15.953 25.79175 21.65530 
1 1 1   16   12   19 o  120.601   8.2485  5991.17  802.873  5736.54  1060.98  6332.35  1228.13  117.261   11.283  122.895   12.481 -5.633842 16.82463 
1 1 1   16   12   20 o  208.221   9.7912 17913.70  1655.39 17176.03  2337.69 18655.65  2344.47  201.416   14.389  210.286   13.807 -8.870575 19.94198 
1 1 1   16   12   21 o   57.387   10.811  1415.04  485.254  1764.80  563.381  409.757  955.119   64.136   11.227   42.946   17.466 21.19040 20.76303 
1 1 1   16   12   22 o   63.016   11.842  1728.77  583.659  1490.04  698.982  2278.57  1060.76   57.620   14.847   70.118   18.400 -12.49767 23.64350 
1 1 1   16   12   23 o   87.561   10.181  3282.12  710.303  3142.77  840.790  3629.50  1327.48   84.519   12.640   86.866   19.320 -2.346672 23.08764 
1 1 1   16   12   24 o   22.417   10.427 -352.5380  459.719 -44.1021  511.859 -1639.3180  1045.49   27.375   12.007   28.131   13.757 -0.7565136 18.26001 
1 1 1   16   14    0 o  326.897   17.353 43587.40  4589.52   0.0000   0.0000 43587.40  4589.52  ?   ?   326.897   17.353 0.000000 17.35306 
1 1 1   16   14    1 o  936.484   36.715 359069.09 27917.65 355689.59 48374.04 360756.81 34185.19  921.705   65.055  936.720   44.946 -15.01453 79.07126 
1 1 1   16   14    2 o  596.358   24.219 144936.70 11727.53 157951.00 20291.65 138409.30 14370.69  619.146   40.588  581.333   30.552 37.81348 50.80157 
1 1 1   16   14    3 o  302.079   16.136 37219.97  3943.38 40560.96  5619.88 33979.55  5534.65  314.771   22.129  287.745   23.905 27.02582 32.57545 
1 1 1   16   14    4 o  1078.72   52.271 482791.81 45782.78 493107.69 64797.05 472507.91 64696.31  1076.02   74.626  1052.14   76.247 23.88379 106.6895 
1 1 1   16   14    5 o  289.608   13.212 34110.63  3106.87 32323.50  5596.87 34906.58  3735.21  280.218   24.857  292.435   15.789 -12.21713 29.44742 
1 1 1   16   14    6 o  216.937   8.8617 19125.25  1560.94 26657.71  2907.85 16076.08  1850.10  255.540   14.069  198.491   11.529 57.04901 18.18908 
1 1 1   16   14    7 o  553.391   39.884 128093.80 17801.30 128093.80 17801.30   0.0000   0.0000  553.391   39.884  ?   ?  0.000000 39.88438 
1 1 1   16   14    8 o  369.060   15.420 55543.09  4620.80 54348.01  8202.98 56098.57  5592.51  362.167   28.115  370.057   18.673 -7.889862 33.75101 
1 1 1   16   14    9 o  147.425   8.6498  8867.53  1030.88  6720.16  2024.87  9618.86  1197.72  126.562   20.397  153.475   9.6605 -26.91388 22.56942 
1 1 1   16   14   10 o  165.779   9.5113 11217.05  1274.93  7755.97  2452.16 12499.24  1492.52  135.572   23.105  174.925   10.558 -39.35345 25.40256 
1 1 1   16   14   11 o  703.653   28.920 205339.00 16523.33 190494.91 28865.77 212573.30 20151.37  658.581   54.469  712.570   34.829 -53.98804 64.65247 
1 1 1   16   14   12 o  351.406   18.725 50789.72  5323.59 50437.00  7725.40 51108.67  7346.29  347.574   27.601  350.431   26.004 -2.857635 37.92108 
1 1 1   16   14   13 o   67.630   8.1331  1887.77  437.662  1542.71  498.638  3045.51  913.350   60.671   10.502   85.298   13.647 -24.62767 17.22069 
1 1 1   16   14   14 o  178.437   9.7171 13013.69  1402.56 13765.81  1711.65 11476.68  2446.88  183.288   11.560  166.015   18.465 17.27315 21.78533 
1 1 1   16   14   15 o  140.738   8.1490  8096.33  927.241  9464.37  1262.28  6492.93  1366.55  151.916   10.294  125.127   13.673 26.78957 17.11487 
1 1 1   16   14   16 o   98.358   7.7313  3969.53  612.474  4658.04  826.469  3130.76  912.202  106.306   9.6810   86.237   13.468 20.06861 16.58616 
1 1 1   16   14   17 o   89.770   7.5854  3314.42  547.720  2389.42  702.927  4744.02  873.865   75.284   11.894  107.051   10.176 -31.76790 15.65325 
1 1 1   16   14   18 o  141.884   8.5196  8280.60  976.951  9997.63  1347.14  6375.83  1418.88  155.383   10.744  122.831   14.507 32.55161 18.05167 
1 1 1   16   14   19 o   83.994   8.1340  2921.80  547.795  3722.50  642.898  799.962  1046.56   94.835   8.4371   49.532   18.831 45.30350 20.63453 
1 1 1   16   14   20 o  107.489   8.3321  4785.25  721.522  4343.92  902.578  5566.59  1200.94  101.590   11.124  114.391   13.170 -12.80164 17.23928 
1 1 1   16   14   21 o  186.934   9.9530 14593.61  1505.27 16738.43  2108.58 12364.59  2149.56  198.203   13.177  168.410   15.908 29.79295 20.65689 
1 1 1   16   14   22 o   30.640   12.179  236.383  453.243  420.006  496.481 -682.2080  1110.45   34.890   13.034   35.409   16.379 -0.5187874 20.93181 
1 1 1   16   14   23 o   93.046   9.8013  3708.32  729.356  3734.92  851.000  3634.71  1415.62   92.453   11.591   85.027   20.699 7.425613 23.72348 
1 1 1   16   14   24 o   82.110   11.833  3030.42  766.160  3030.42  766.160   0.0000   0.0000   82.110   11.833  ?   ?  0.000000 11.83344 
1 1 1   16   16    0 o  629.719   30.927 162365.70 15813.28   0.0000   0.0000 162365.70 15813.28  ?   ?   629.719   30.927 0.000000 30.92690 
1 1 1   16   16    1 o  717.294   28.569 210468.00 16639.29 223789.00 28864.44 203838.20 20363.25  732.868   48.785  703.531   35.765 29.33624 60.49069 
1 1 1   16   16    2 o  915.674   36.573 344997.69 27191.60 377494.31 47092.89 328744.81 33304.31  944.482   61.748  889.165   46.290 55.31641 77.17187 
1 1 1   16   16    3 o  470.550   23.489 90457.54  8974.48 96824.08 12757.28 84219.99 12627.37  484.368   32.627  451.086   34.743 33.28192 47.66173 
1 1 1   16   16    4 f  539.397   26.815 119247.50 11744.44 119651.70 16676.78 118849.70 16542.34  536.317   38.553  534.569   38.367 1.747498 54.39061 
1 1 1   16   16    5 o  695.501   50.116 205008.50 28112.09 205008.50 28112.09   0.0000   0.0000  695.501   50.116  ?   ?  0.000000 50.11610 
1 1 1   16   16    6 o  174.173   9.1371 12368.32  1287.69 11890.05  2511.28 12538.93  1499.87  169.621   18.535  175.247   10.590 -5.626068 21.34756 
1 1 1   16   16    7 o  351.689   14.014 50407.23  4001.72 56644.29  7191.47 47609.78  4816.26  370.687   24.022  340.992   17.454 29.69534 29.69348 
1 1 1   16   16    8 f  154.016   9.0488  9680.26  1126.64  7284.78  2228.74 10502.51  1305.76  131.634   21.602  160.352   10.080 -28.71770 23.83798 
1 1 1   16   16    9 o  430.071   21.944 76125.35  7637.48 79116.15 10936.85 73278.64 10670.15  435.513   31.133  418.888   31.604 16.62479 44.36337 
1 1 1   16   16   10 o  225.092   13.622 20743.75  2477.91 22234.86  3675.55 19501.42  3354.94  232.047   19.694  217.302   19.212 14.74452 27.51294 
1 1 1   16   16   11 o  138.702   11.794  7898.44  1315.66  8344.25  2078.04  7600.17  1699.71  141.481   18.535  135.436   15.750 6.045273 24.32324 
1 1 1   16   16   12 o  176.887   9.6713 12780.45  1383.79 14944.63  2759.21 12053.20  1599.49  189.985   18.106  171.537   11.551 18.44786 21.47646 
1 1 1   16   16   13 o  470.985   20.324 91514.37  7772.57 78480.23 13843.90 97514.24  9392.66  424.586   40.653  484.721   23.865 -60.13498 47.14045 
1 1 1   16   16   14 o  388.529   16.212 62081.70  5114.34 69200.16  9285.80 58982.07  6127.48  403.941   28.494  376.909   20.094 27.03204 34.86701 
1 1 1   16   16   15 f  581.878   23.400 142670.30 11055.61 164717.91 19670.84 132490.20 13366.44  602.868   40.419  553.794   29.836 49.07428 50.23786 
1 1 1   16   16   16 o  254.354   12.195 26641.08  2518.62 34934.97  5122.86 23997.29  2892.32  285.881   22.244  240.139   14.907 45.74207 26.77767 
1 1 1   16   16   17 o  122.676   7.8827  6181.42  781.028  6322.30  1052.92  6009.08  1164.58  123.503   10.603  120.003   12.118 3.499817 16.10159 
1 1 1   16   16   18 o  201.415   11.849 16877.64  1929.33 22777.90  4402.58 15475.21  2146.41  225.861   24.394  191.982   13.863 33.87909 28.05760 
1 1 1   16   16   19 o  173.609   9.1736 12463.39  1288.56 14116.81  1774.28 10617.99  1874.45  183.652   11.964  157.890   14.794 25.76149 19.02580 
1 1 1   16   16   20 o   92.470   8.2624  3553.94  613.831  3755.35  750.219  3146.03  1067.66   94.606   9.9136   84.262   16.193 10.34341 18.98686 
1 1 1   16   16   21 o  134.270   9.3448  7545.58  1012.45  8966.30  1341.67  5666.47  1543.00  145.357   11.461  112.086   17.528 33.27049 20.94249 
1 1 1   16   16   22 o   29.748   11.822  227.381  426.985  345.020  459.906 -507.1856  1149.24   32.646   12.466   36.973   16.942 -4.326878 21.03388 
1 1 1   16   16   23 o   76.241   10.435  2538.77  629.005  2295.91  722.728  3297.22  1277.20   71.115   12.995   80.572   19.690 -9.457428 23.59138 
1 1 1   16   18    0 o  706.711   51.010 211800.09 29074.25   0.0000   0.0000 211800.09 29074.25  ?   ?   706.711   51.010 0.000000 51.01016 
1 1 1   16   18    1 o  911.994   45.114 348464.41 33407.52 364602.59 47275.01 332366.59 47215.80  916.917   63.898  872.375   67.174 44.54211 92.71057 
1 1 1   16   18    2 o  428.349   22.719 75332.39  7873.54 89196.00 11098.05 61283.28 11172.06  464.476   29.581  382.743   36.387 81.73285 46.89386 
1 1 1   16   18    3 f  226.800   11.676 20988.63  2142.94 18428.60  3685.60 22296.11  2633.92  211.069   21.820  233.532   13.954 -22.46289 25.90075 
1 1 1   16   18    4 o  570.838   28.305 134299.09 13119.57 142362.00 18647.14 126395.60 18461.99  582.320   39.674  547.528   41.844 34.79138 57.66255 
1 1 1   16   18    5 o  431.843   22.127 76643.14  7732.64 81554.27 11035.03 71905.10 10838.82  443.000   30.871  415.351   32.395 27.64850 44.74886 
1 1 1   16   18    6 f  215.386   13.487 18979.45  2346.82 21214.33  3450.66 17056.06  3201.17  226.972   18.895  203.219   19.645 23.75314 27.25753 
1 1 1   16   18    7 o  360.240   19.218 53272.73  5600.95 54058.61  8063.40 52540.05  7785.77  360.768   27.739  355.802   27.155 4.965912 38.81804 
1 1 1   16   18    8 o   56.086   15.075  1327.80  701.267  618.437  1188.05  1707.12  868.758   50.626   19.845   63.481   16.649 -12.85497 25.90371 
1 1 1   16   18    9 o  169.923   9.2296 11783.96  1268.66 12247.61  2594.75 11638.31  1454.34  171.849   18.908  168.718   10.671 3.130737 21.71181 
1 1 1   16   18   10 o  259.757   40.356 29311.75  8235.40 27990.63 11838.39 30550.60 11463.86  245.124   59.971  258.056   56.295 -12.93124 82.25412 
1 1 1   16   18   11 o  105.366   9.0488  4552.92  766.647  4324.60  1666.38  4614.22  863.454  100.626   21.070  105.941   10.163 -5.314285 23.39321 
1 1 1   16   18   12 o  127.054   9.8273  6617.55  1005.93  4838.65  2210.90  7081.94  1129.63  105.728   25.947  131.351   10.684 -25.62280 28.06083 
1 1 1   16   18   13 o  422.511   17.874 73606.88  6131.79 74645.74 11106.14 73151.34  7354.28  416.671   33.100  419.164   21.682 -2.493622 39.56915 
1 1 1   16   18   14 f  192.473   10.613 15197.91  1652.21 20010.17  3582.50 13897.84  1862.06  218.107   20.469  183.641   12.563 34.46640 24.01662 
1 1 1   16   18   15 o  357.530   15.526 53043.32  4507.14 62531.20  8546.14 49387.55  5304.87  378.253   28.025  342.588   19.147 35.66479 33.94162 
1 1 1   16   18   16 o  103.943   10.861  4493.35  903.130  6368.21  2974.16  4302.92  947.888  116.714   30.898  101.493   11.718 15.22134 33.04552 
1 1 1   16   18   17 o  254.273   13.280 26986.89  2732.19 26009.57  5590.65 27293.55  3131.64  237.304   29.663  254.637   15.216 -17.33316 33.33776 
1 1 1   16   18   18 o   56.531   16.869  1386.28  833.143  1855.04  3171.71  1351.54  863.465   77.204   31.661   56.036   17.269 21.16834 36.06453 
1 1 1   16   18   19 o   45.802   16.951  749.264  835.898  2260.91  2882.71  610.494  873.423   76.673   30.638   44.333   17.116 32.33984 35.09450 
1 1 1   16   18   20 f   78.093   18.455  2800.90  1151.69  3237.55  3498.85  2747.84  1219.66   83.081   33.557   76.927   19.500 6.153526 38.81129 
1 1 1   16   18   21 o   65.927   19.572  2064.29  1123.67   0.0000   0.0000  2064.29  1123.67  ?   ?    65.927   19.572 0.000000 19.57214 
1 1 1   16   18   22 o   49.965   18.891  1046.87  1049.55   0.0000   0.0000  1046.87  1049.55  ?   ?    49.965   18.891 0.000000 18.89061 
1 1 1   16   18   23 o   49.835   22.354  530.363  1875.12   0.0000   0.0000  530.363  1875.12  ?   ?    49.835   22.354 0.000000 22.35351 
1 1 1   16   20    0 o  559.510   28.519 129547.40 12913.32   0.0000   0.0000 129547.40 12913.32  ?   ?   559.510   28.519 0.000000 28.51907 
1 1 1   16   20    1 o  519.469   26.814 111466.10 11271.51   0.0000   0.0000 111466.10 11271.51  ?   ?   519.469   26.814 0.000000 26.81438 
1 1 1   16   20    2 o  375.369   20.419 57869.88  6199.92 53989.76  8862.12 61589.44  8676.83  359.928   30.615  385.396   27.917 -25.46793 41.43196 
1 1 1   16   20    3 o  272.429   16.206 30406.47  3568.63 28525.46  5162.32 32128.05  4938.71  262.281   24.525  279.029   21.976 -16.74841 32.93081 
1 1 1   16   20    4 o  403.109   21.463 66830.55  6999.67 65313.50 10031.66 68269.93  9771.51  395.579   31.493  405.013   29.926 -9.433319 43.44354 
1 1 1   16   20    5 o  232.231   14.585 22089.54  2736.28 21767.56  3978.35 22378.59  3769.48  229.319   21.621  232.834   20.137 -3.514954 29.54616 
1 1 1   16   20    6 o  361.410   19.465 53678.75  5690.96 56387.66  8202.07 51163.95  7902.74  368.223   27.635  350.546   27.998 17.67691 39.33929 
1 1 1   16   20    7 o  599.616   21.466 147770.09 10451.17 169592.20 18532.10 137593.09 12655.67  634.397   36.126  576.542   27.034 57.85480 45.12182 
1 1 1   16   20    8 o  380.463   15.496 59179.41  4786.93 61181.87  8759.78 58326.82  5715.88  382.742   28.389  377.121   18.667 5.621765 33.97636 
1 1 1   16   20    9 o  347.990   15.231 49530.71  4303.66 46490.50  7948.51 50791.62  5118.91  332.478   29.758  351.431   17.999 -18.95255 34.77804 
1 1 1   16   20   10 o  377.152   16.145 58288.33  4944.25 57000.09  9034.39 58839.13  5907.42  367.458   30.557  377.700   19.327 -10.24161 36.15612 
1 1 1   16   20   11 o  221.989   11.678 20173.88  2097.49 15655.44  4171.61 21702.68  2426.52  191.607   27.611  230.039   13.045 -38.43233 30.53713 
1 1 1   16   20   12 o  341.927   15.731 48063.69  4367.36 40806.80  8117.88 51019.66  5181.04  307.124   33.075  351.087   18.237 -43.96295 37.76944 
1 1 1   16   20   13 o  131.999   9.9524  7161.10  1058.84  6465.14  3019.72  7258.66  1130.62  120.127   30.810  132.796   10.573 -12.66927 32.57410 
1 1 1   16   20   14 o  289.831   13.270 34654.29  3122.86 38706.66  6192.70 33272.34  3616.35  298.899   25.768  282.639   15.822 16.26016 30.23765 
1 1 1   16   20   15 o  128.717   10.737  6861.63  1111.89 -2063.4651  3392.39  7935.82  1176.90   61.877   28.624  138.534   10.542 -76.65714 30.50338 
1 1 1   16   20   16 o  239.992   12.533 23963.09  2433.76 30743.82  5469.76 22289.26  2717.60  261.963   26.061  230.441   14.599 31.52150 29.87187 
1 1 1   16   20   17 f   44.576   16.106  723.841  747.789  449.349  3275.33  738.936  768.075   70.189   30.591   45.079   16.317 25.11090 34.67073 
1 1 1   16   20   18 o   24.791   12.064 -1317.8450  776.160 -2149.9041  2782.33 -1247.6310  808.245   52.962   24.959   25.955   12.555 27.00679 27.93908 
1 1 1   16   20   19 o   61.843   18.968  1724.33  1043.11  5588.72  4146.75  1463.28  1077.77   99.359   37.553   58.007   19.432 41.35162 42.28288 
1 1 1   16   20   20 o   51.511   19.338  1030.96  1095.60   0.0000   0.0000  1030.96  1095.60  ?   ?    51.511   19.338 0.000000 19.33818 
1 1 1   16   20   21 o  105.614   16.337  5131.58  1355.78   0.0000   0.0000  5131.58  1355.78  ?   ?   105.614   16.337 0.000000 16.33732 
1 1 1   16   20   22 o   37.505   16.997 -208.1629  1116.42   0.0000   0.0000 -208.1629  1116.42  ?   ?    37.505   16.997 0.000000 16.99662 
1 1 1   16   22    0 o  283.192   24.402 33270.57  5556.17   0.0000   0.0000 33270.57  5556.17  ?   ?   283.192   24.402 0.000000 24.40155 
1 1 1   16   22    1 o  235.607   15.330 22761.79  2916.79   0.0000   0.0000 22761.79  2916.79  ?   ?   235.607   15.330 0.000000 15.33027 
1 1 1   16   22    2 o  309.521   14.774 39107.84  3713.13 39572.34  6530.04 38885.89  4513.90  308.468   26.324  307.693   18.148 0.7750244 31.97299 
1 1 1   16   22    3 o  267.237   13.628 29207.22  2947.27 25858.23  5138.32 30849.27  3597.97  248.983   25.790  274.255   16.229 -25.27223 30.47190 
1 1 1   16   22    4 o  415.987   18.597 70905.63  6281.35 71508.83 10885.79 70604.55  7690.88  412.601   32.763  413.487   22.998 -0.8863831 40.02900 
1 1 1   16   22    5 o  486.402   25.889 98127.01 10188.04 90804.07 14604.54 105068.70 14219.30  461.498   39.350  498.893   35.331 -37.39474 52.88384 
1 1 1   16   22    6 o   56.813   16.103  1354.25  776.829  1837.51  1409.12  1143.26  931.097   67.997   22.198   54.279   18.060 13.71790 28.61610 
1 1 1   16   22    7 o  167.486   8.0120 11412.14  1089.58 17893.80  2454.42  9821.31  1215.96  208.727   14.574  154.998   9.7107 53.72891 17.51248 
1 1 1   16   22    8 o   48.697   10.137  1002.14  387.787  1350.02  1294.33  967.835  406.458   60.690   21.265   47.790   10.737 12.89959 23.82189 
1 1 1   16   22    9 o  194.169   8.3837 15348.13  1321.77 24037.62  2926.65 13121.58  1481.46  241.820   14.979  179.125   10.228 62.69476 18.13800 
1 1 1   16   22   10 o  234.123   11.857 22451.51  2246.72 18898.60  4541.57 23602.76  2585.22  210.695   27.181  239.790   13.330 -29.09492 30.27358 
1 1 1   16   22   11 o  368.015   14.798 55660.87  4421.87 68406.40  8402.85 50779.61  5200.13  402.253   25.864  349.908   18.367 52.34518 31.72230 
1 1 1   16   22   12 o  374.446   16.609 58087.40  5049.84 63827.12  9567.65 55871.02  5945.42  382.033   31.114  365.016   20.138 17.01752 37.06233 
1 1 1   16   22   13 o  212.008   12.160 18565.34  2084.57 14641.54  4776.59 19488.47  2316.84  177.922   34.307  216.899   13.218 -38.97665 36.76556 
1 1 1   16   22   14 o  272.091   12.691 30630.46  2803.72 43281.41  6085.77 27221.89  3158.93  315.230   23.956  254.992   15.328 60.23753 28.44014 
1 1 1   16   22   15 o   69.527   13.021  2070.77  708.048 -368.8067  2724.09  2247.53  733.250   61.570   27.323   72.531   12.924 -10.96105 30.22524 
1 1 1   16   22   16 o  113.229   12.811  5412.53  1157.13  4811.37  3898.76  5470.60  1211.73  100.013   36.677  113.646   13.388 -13.63303 39.04395 
1 1 1   16   22   17 o   56.481   16.738  1397.06  822.341  2356.43  3205.01  1329.45  850.824   79.463   32.109   55.389   17.154 24.07355 36.40418 
1 1 1   16   22   18 o  160.448   12.743 10937.38  1646.48  9036.59  4711.56 11201.80  1757.27  121.362   40.630  161.962   13.485 -40.60006 42.80940 
1 1 1   16   22   19 o   26.946   13.140 -1564.3300  934.580   0.0000   0.0000 -1564.3300  934.580  ?   ?    26.946   13.140 0.000000 13.13990 
1 1 1   16   22   20 o   40.289   17.595   52.857  1088.57   0.0000   0.0000   52.857  1088.57  ?   ?    40.289   17.595 0.000000 17.59539 
1 1 1   16   22   21 o   43.421   17.799  581.267  1001.83   0.0000   0.0000  581.267  1001.83  ?   ?    43.421   17.799 0.000000 17.79914 
1 1 1   16   24    0 o  750.286   38.688 239472.70 23488.93   0.0000   0.0000 239472.70 23488.93  ?   ?   750.286   38.688 0.000000 38.68824 
1 1 1   16   24    1 o  405.860   22.522 68106.36  7392.90   0.0000   0.0000 68106.36  7392.90  ?   ?   405.860   22.522 0.000000 22.52209 
1 1 1   16   24    2 o  570.770   24.315 134678.09 11268.73 120293.40 19699.24 141674.70 13738.55  525.281   46.673  583.194   29.013 -57.91315 54.95569 
1 1 1   16   24    3 o  199.733   12.798 16345.85  2064.68 11625.41  3685.93 18504.20  2492.40  164.912   28.561  212.292   14.547 -47.37946 32.05256 
1 1 1   16   24    4 o  313.826   15.627 40305.79  3982.13 35322.58  6945.08 42746.43  4860.44  289.296   30.003  322.121   18.663 -32.82516 35.33362 
1 1 1   16   24    5 o  433.827   23.879 78137.70  8379.22 74293.19 12115.50 81662.77 11601.25  417.108   36.130  439.324   32.758 -22.21686 48.76920 
1 1 1   16   24    6 o  408.918   22.320 69323.37  7382.73 72518.52 10746.54 66467.65 10159.68  413.690   32.248  396.162   31.853 17.52872 45.32721 
1 1 1   16   24    7 o   97.573   15.814  4000.57  1209.97  4553.96  1953.15  3655.93  1541.37  102.758   23.866   92.297   21.036 10.46168 31.81320 
1 1 1   16   24    8 o  272.084   13.366 30296.29  2952.86 28664.25  5868.63 30849.53  3416.90  259.717   28.286  273.773   15.434 -14.05582 32.22312 
1 1 1   16   24    9 o   42.381   10.941  761.416  379.070 -3383.1040  1811.24  951.268  387.655   37.075   18.126   47.359   10.368 -10.28371 20.88163 
1 1 1   16   24   10 o  124.644   9.1036  6375.41  914.969 11424.71  3198.21  5925.30  954.880  162.760   25.000  120.021   9.8863 42.73975 26.88352 
1 1 1   16   24   11 o   52.287   11.949  1167.46  496.232  7636.89  2742.65  948.504  504.560  131.208   26.653   47.234   12.825 83.97472 29.57833 
1 1 1   16   24   12 o  180.100   11.605 13407.54  1688.06  9595.97  4115.92 14178.33  1850.89  141.949   35.735  184.997   12.394 -43.04794 37.82313 
1 1 1   16   24   13 o  212.223   12.145 18679.53  2084.09 19301.13  5061.31 18552.61  2286.97  204.197   31.543  211.009   13.418 -6.812073 34.27811 
1 1 1   16   24   14 o  109.344   11.146  4991.25  975.743 10204.66  3078.81  4409.15  1028.78  149.483   26.328  102.288   12.657 47.19520 29.21210 
1 1 1   16   24   15 o   36.704   14.890  263.908  692.142 -6238.4058  3578.23  516.653  705.466   50.476   24.839   40.657   15.460 9.819641 29.25678 
1 1 1   16   24   16 o  205.508   12.774 17788.29  2120.95 19322.24  5431.01 17512.24  2303.90  192.556   36.062  203.135   14.055 -10.57925 38.70373 
1 1 1   16   24   17 o   47.874   17.677  849.209  907.991 -2178.9990  3747.59  1038.06  935.876   61.088   28.843   50.899   18.059 10.18847 34.03064 
1 1 1   16   24   18 o   35.001   15.746 -312.6945  938.089 10950.61  4947.68 -732.6958  955.419  126.890   41.602   32.171   14.987 94.71852 44.21973 
1 1 1   16   24   19 o   56.552   18.883  1474.40  1017.70   0.0000   0.0000  1474.40  1017.70  ?   ?    56.552   18.883 0.000000 18.88340 
1 1 1   16   24   20 o   43.285   18.016  504.428  1047.75   0.0000   0.0000  504.428  1047.75  ?   ?    43.285   18.016 0.000000 18.01586 
1 1 1   16   26    0 o  400.453   22.767 66583.78  7372.37   0.0000   0.0000 66583.78  7372.37  ?   ?   400.453   22.767 0.000000 22.76750 
1 1 1   16   26    1 f  365.873   21.361 55465.76  6318.34   0.0000   0.0000 55465.76  6318.34  ?   ?   365.873   21.361 0.000000 21.36122 
1 1 1   16   26    2 o  260.685   17.752 28048.52  3735.10   0.0000   0.0000 28048.52  3735.10  ?   ?   260.685   17.752 0.000000 17.75178 
1 1 1   16   26    3 o  109.218   14.207  4961.63  1230.08  2873.44  2221.92  5884.46  1477.08   84.494   27.888  118.813   15.695 -34.31909 32.00110 
1 1 1   16   26    4 f  355.554   17.596 51985.41  5080.02 48722.08  8933.75 53544.80  6175.63  337.457   33.028  359.204   21.269 -21.74716 39.28351 
1 1 1   16   26    5 o  385.988   18.548 61416.78  5813.04 51025.72 10095.52 66570.73  7110.00  342.651   36.866  400.077   21.971 -57.42569 42.91668 
1 1 1   16   26    6 o  125.446   15.059  6549.66  1503.26  7749.13  2706.68  6014.65  1807.69  133.888   25.834  119.179   19.344 14.70881 32.27301 
1 1 1   16   26    7 o  169.141   15.323 11861.48  2081.52 15580.11  3441.62  9716.69  2613.75  191.965   22.507  151.221   21.926 40.74396 31.42219 
1 1 1   16   26    8 o  293.897   13.658 35512.28  3259.31 39969.64  6924.70 34243.79  3694.09  304.460   28.337  287.551   15.883 16.90857 32.48449 
1 1 1   16   26    9 o   26.338   10.750  104.380  363.493  4370.09  2810.30   31.802  366.573   99.511   31.235   25.131   10.572 74.37993 32.97561 
1 1 1   16   26   10 o  160.256   10.628 10588.77  1375.07 12649.88  4161.16 10336.11  1456.92  166.113   32.012  158.137   11.423 7.975784 33.98932 
1 1 1   16   26   11 o  292.403   12.642 35363.52  3001.55 51524.14  6827.63 31492.03  3341.80  343.501   24.643  274.503   15.051 68.99759 28.87586 
1 1 1   16   26   12 o  148.690   10.966  9169.62  1314.57 13715.52  3936.44  8599.02  1394.63  172.509   29.141  143.642   12.069 28.86740 31.54165 
1 1 1   16   26   13 o  102.789   11.568  4431.46  948.729  4720.21  3465.89  4408.07  986.404   99.572   34.803  102.361   12.102 -2.789177 36.84718 
1 1 1   16   26   14 o   68.595   13.448  2036.07  722.214 -2515.1331  3379.64  2253.85  739.292   58.411   27.522   72.368   13.062 -13.95709 30.46419 
1 1 1   16   26   15 o  226.795   13.349 21754.17  2447.37 17837.32  6598.08 22379.02  2635.36  169.511   46.526  229.428   14.217 -59.91701 48.64984 
1 1 1   16   26   16 o   45.359   17.015  726.738  847.798  471.016  4522.17  736.054  863.101   75.077   34.095   45.681   17.161 29.39579 38.17061 
1 1 1   16   26   17 o   36.466   15.923 -45.2342  891.087   0.0000   0.0000 -45.2342  891.087  ?   ?    36.466   15.923 0.000000 15.92291 
1 1 1   16   26   18 o   55.202   19.502  1365.86  1090.28   0.0000   0.0000  1365.86  1090.28  ?   ?    55.202   19.502 0.000000 19.50233 
1 1 1   16   26   19 o   47.655   19.108  831.117  1125.53   0.0000   0.0000  831.117  1125.53  ?   ?    47.655   19.108 0.000000 19.10811 
1 1 1   16   26   20 o   92.184   27.005  5463.55  2151.37   0.0000   0.0000  5463.55  2151.37  ?   ?    92.184   27.005 0.000000 27.00542 
1 1 1   16   28    0 o  550.674   30.204 129254.40 13453.74   0.0000   0.0000 129254.40 13453.74  ?   ?   550.674   30.204 0.000000 30.20449 
1 1 1   16   28    1 o  644.220   34.684 179517.59 18075.77   0.0000   0.0000 179517.59 18075.77  ?   ?   644.220   34.684 0.000000 34.68381 
1 1 1   16   28    2 o  189.776   17.713 14991.45  2697.81   0.0000   0.0000 14991.45  2697.81  ?   ?   189.776   17.713 0.000000 17.71252 
1 1 1   16   28    3 o  169.203   14.618 11849.09  1988.56 12431.15  3648.22 11603.05  2371.89  169.496   27.447  166.660   17.803 2.836426 32.71508 
1 1 1   16   28    4 o  157.342   14.744 10271.79  1861.64 11493.11  3531.76  9801.88  2190.70  162.446   27.774  152.865   17.994 9.581436 33.09344 
1 1 1   16   28    5 o  402.872   19.685 67668.32  6439.18 76875.69 11423.44 63380.36  7795.69  417.661   33.979  386.113   25.000 31.54797 42.18531 
1 1 1   16   28    6 o  201.612   15.901 16930.59  2581.86 21253.31  4948.06 15313.33  3026.55  220.462   28.295  190.320   19.878 30.14244 34.57936 
1 1 1   16   28    7 o  122.166   19.034  6391.09  1826.52  9510.27  3524.25  5245.57  2135.74  144.581   30.954  108.699   24.753 35.88141 39.63417 
1 1 1   16   28    8 o  319.994   16.198 42811.63  4194.98 42690.91  8903.63 42846.08  4755.93  301.990   37.090  318.758   18.454 -16.76724 41.42783 
1 1 1   16   28    9 o   72.420   9.3584  2185.91  537.423  1669.36  3057.94  2202.37  545.920   77.464   31.342   72.673   9.4772 4.790291 32.74351 
1 1 1   16   28   10 o   55.793   11.520  1331.74  504.570 -5210.9971  3058.10  1514.84  511.581   47.947   23.464   59.707   10.956 -11.76011 25.89613 
1 1 1   16   28   11 o  185.866   11.616 14365.20  1744.32 13606.18  5408.62 14453.31  1842.78  160.562   41.263  186.188   12.258 -25.62617 43.04488 
1 1 1   16   28   12 o  170.270   10.710 12048.75  1473.18 14889.56  4830.50 11757.43  1546.87  171.533   35.837  167.928   11.412 3.605286 37.61063 
1 1 1   16   28   13 o  134.933   10.741  7605.90  1167.07 12564.19  4589.90  7263.18  1206.73  153.696   37.183  131.603   11.406 22.09230 38.89331 
1 1 1   16   28   14 o   54.348   17.076  1283.58  839.694 -1364.0170  4065.88  1401.54  858.195   66.803   31.053   56.440   17.184 10.36251 35.49052 
1 1 1   16   28   15 o   68.185   16.635  2105.03  912.829  1493.44  5493.20  2122.39  925.700   81.965   37.360   68.421   16.789 13.54429 40.95895 
1 1 1   16   28   16 o   30.344   14.017 -537.8380  809.408   0.0000   0.0000 -537.8380  809.408  ?   ?    30.344   14.017 0.000000 14.01744 
1 1 1   16   28   17 o   80.410   17.947  3067.98  1142.05   0.0000   0.0000  3067.98  1142.05  ?   ?    80.410   17.947 0.000000 17.94694 
1 1 1   16   28   18 o   57.128   19.792  1601.93  1119.68   0.0000   0.0000  1601.93  1119.68  ?   ?    57.128   19.792 0.000000 19.79187 
1 1 1   16   28   19 f   47.154   20.777  554.875  1548.04   0.0000   0.0000  554.875  1548.04  ?   ?    47.154   20.777 0.000000 20.77677 
1 1 1   16   30    0 o  474.665   28.013 97909.58 10748.67   0.0000   0.0000 97909.58 10748.67  ?   ?   474.665   28.013 0.000000 28.01285 
1 1 1   16   30    1 o  166.988   18.872 11804.67  2513.87   0.0000   0.0000 11804.67  2513.87  ?   ?   166.988   18.872 0.000000 18.87152 
1 1 1   16   30    2 o  158.846   18.859 10703.69  2384.88   0.0000   0.0000 10703.69  2384.88  ?   ?   158.846   18.859 0.000000 18.85914 
1 1 1   16   30    3 o  251.013   19.391 26630.72  3921.60   0.0000   0.0000 26630.72  3921.60  ?   ?   251.013   19.391 0.000000 19.39147 
1 1 1   16   30    4 o  188.745   16.221 14948.04  2461.71 21210.55  4972.72 12915.08  2833.24  218.214   28.767  173.661   20.487 44.55292 35.31644 
1 1 1   16   30    5 o  211.982   16.639 18899.88  2840.99 21418.56  5756.90 18089.02  3266.45  214.731   34.163  205.896   19.782 8.834396 39.47684 
1 1 1   16   30    6 o  183.163   17.509 14228.50  2572.25 16101.06  5330.78 13660.18  2936.76  182.544   37.227  177.947   20.713 4.597458 42.60145 
1 1 1   16   30    7 o  134.661   18.798  7822.73  1999.36  9023.47  4076.87  7442.50  2294.19  135.448   36.323  129.654   22.615 5.793884 42.78755 
1 1 1   16   30    8 o  129.634   20.729  7381.26  2108.36  5871.30  5051.39  7699.79  2320.11  110.726   41.532  131.605   22.522 -20.87881 47.24574 
1 1 1   16   30    9 o  226.447   11.866 21331.03  2174.22 25767.56  6569.62 20785.34  2304.06  227.811   36.768  223.100   12.772 4.710297 38.92345 
1 1 1   16   30   10 o   77.187   10.117  2501.41  618.774 -3369.5610  4810.45  2600.19  623.958   68.485   32.439   78.754   9.9816 -10.26933 33.93993 
1 1 1   16   30   11 o  205.811   12.415 17773.32  2065.00 17860.43  6215.59 17762.51  2189.36  176.855   43.568  205.316   13.203 -28.46019 45.52490 
1 1 1   16   30   12 o  106.420   12.010  4799.25  1019.61 -3418.6150  5668.89  5073.99  1036.51   72.082   34.444  109.517   11.845 -37.43517 36.42332 
1 1 1   16   30   13 o   30.498   13.454 -139.6573  651.075 -7343.0698  5654.60 -42.8759  655.434   62.794   30.962   31.698   13.750 31.09529 33.87843 
1 1 1   16   30   14 o   70.208   14.931  2205.18  824.976 -1056.8440  5387.09  2283.52  834.823   72.648   34.387   71.498   14.865 1.150543 37.46245 
1 1 1   16   30   15 o   51.632   17.521  1170.89  876.316   0.0000   0.0000  1170.89  876.316  ?   ?    51.632   17.521 0.000000 17.52129 
1 1 1   16   30   16 o  119.656   14.064  6398.16  1340.36   0.0000   0.0000  6398.16  1340.36  ?   ?   119.656   14.064 0.000000 14.06411 
1 1 1   16   30   17 o   41.315   17.382  414.290  991.336   0.0000   0.0000  414.290  991.336  ?   ?    41.315   17.382 0.000000 17.38244 
1 1 1   16   32    0 o  178.015   20.154 13683.87  2861.82   0.0000   0.0000 13683.87  2861.82  ?   ?   178.015   20.154 0.000000 20.15427 
1 1 1   16   32    1 o  197.117   20.811 16812.60  3280.55   0.0000   0.0000 16812.60  3280.55  ?   ?   197.117   20.811 0.000000 20.81137 
1 1 1   16   32    2 o  196.768   21.074 16794.06  3314.56   0.0000   0.0000 16794.06  3314.56  ?   ?   196.768   21.074 0.000000 21.07374 
1 1 1   16   32    3 o  116.793   24.852  6188.23  2284.34   0.0000   0.0000  6188.23  2284.34  ?   ?   116.793   24.852 0.000000 24.85162 
1 1 1   16   32    4 o   92.157   24.045  3864.45  1818.18   0.0000   0.0000  3864.45  1818.18  ?   ?    92.157   24.045 0.000000 24.04453 
1 1 1   16   32    5 o  318.961   20.414 44024.34  5259.27 42816.45 10197.83 44462.02  6138.60  282.409   46.060  316.820   24.042 -34.41055 51.95736 
1 1 1   16   32    6 o  215.910   19.293 20177.56  3346.61 26992.81  7113.61 18240.44  3792.52  229.626   39.582  202.218   23.538 27.40851 46.05226 
1 1 1   16   32    7 o  208.274   20.856 19067.39  3479.60 23840.60  7107.18 17562.55  3990.58  209.623   43.193  196.096   25.680 13.52715 50.25035 
1 1 1   16   32    8 o  112.439   26.425  5985.63  2371.69  2147.65  4878.54  7173.42  2713.99   87.532   37.742  122.416   27.922 -34.88442 46.94811 
1 1 1   16   32    9 o   62.041   9.5848  1626.97  467.271 -356.8531  4864.95  1645.44  469.441   76.731   35.046   62.402   9.5704 14.32903 36.32911 
1 1 1   16   32   10 o   65.261   11.363  1826.75  580.271  6498.25  6179.88  1785.20  582.846  106.272   43.953   64.441   11.564 41.83103 45.44878 
1 1 1   16   32   11 o  139.379   11.294  8193.10  1267.18 16837.61  7203.87  7917.08  1287.25  150.393   50.240  136.811   11.700 13.58167 51.58476 
1 1 1   16   32   12 o   78.491   12.990  2684.04  798.895  1623.10  7001.43  2698.04  804.147   85.498   40.072   78.678   13.045 6.820404 42.14138 
1 1 1   16   32   13 o   87.010   13.224  3318.86  904.845   0.0000   0.0000  3318.86  904.845  ?   ?    87.010   13.224 0.000000 13.22379 
1 1 1   16   32   14 o  114.748   13.391  5804.03  1224.16   0.0000   0.0000  5804.03  1224.16  ?   ?   114.748   13.391 0.000000 13.39059 
1 1 1   16   32   15 o   36.175   15.921  -8.6766  906.556   0.0000   0.0000  -8.6766  906.556  ?   ?    36.175   15.921 0.000000 15.92096 
1 1 1   16   32   16 o   63.633   19.854  2133.63  1137.31   0.0000   0.0000  2133.63  1137.31  ?   ?    63.633   19.854 0.000000 19.85358 
1 1 1   16   34    0 o  109.941   26.942  5722.33  2386.30   0.0000   0.0000  5722.33  2386.30  ?   ?   109.941   26.942 0.000000 26.94203 
1 1 1   16   34    1 o  185.278   23.720 15488.96  3486.56   0.0000   0.0000 15488.96  3486.56  ?   ?   185.278   23.720 0.000000 23.72039 
1 1 1   16   34    2 o  276.342   24.091 34400.61  5351.48   0.0000   0.0000 34400.61  5351.48  ?   ?   276.342   24.091 0.000000 24.09093 
1 1 1   16   34    3 o  243.863   25.297 27161.30  4936.10   0.0000   0.0000 27161.30  4936.10  ?   ?   243.863   25.297 0.000000 25.29669 
1 1 1   16   34    4 o  189.240   24.273 16336.22  3643.76   0.0000   0.0000 16336.22  3643.76  ?   ?   189.240   24.273 0.000000 24.27318 
1 1 1   16   34    5 o   86.296   28.616  3531.71  2338.51  1516.07  6312.44  3852.34  2517.65   90.330   40.722   89.488   29.693 0.8415527 50.39828 
1 1 1   16   34    6 f  141.722   26.804  9579.32  2971.41 16662.99  7143.43  8097.22  3267.51  158.117   49.825  126.051   31.898 32.06665 59.16148 
1 1 1   16   34    7 o  120.476   29.335  7265.40  2842.86  4126.23  6103.04  8135.29  3212.70   96.439   41.897  125.863   31.509 -29.42430 52.42255 
1 1 1   16   34    8 o   56.506   23.888  605.687  1886.77  2990.91  5316.21  261.948  2018.15   88.530   38.768   55.491   24.100 33.03971 45.64824 
1 1 1   16   34    9 o   31.211   11.811  307.697  410.496 -339.7614  5511.08  311.309  411.639   76.598   35.788   31.309   11.832 45.28931 37.69321 
1 1 1   16   34   10 o   94.286   10.640  3776.76  800.299 -1558.8380  8403.00  3825.60  803.954   81.813   39.785   94.911   10.614 -13.09862 41.17645 
1 1 1   16   34   11 o   50.369   12.961  1130.91  533.163  9840.33  7075.58  1081.17  534.683  104.686   45.295   49.249   13.131 55.43676 47.15983 
1 1 1   16   34   12 f   68.012   14.375  2100.06  768.984   0.0000   0.0000  2100.06  768.984  ?   ?    68.012   14.375 0.000000 14.37483 
1 1 1   16   34   13 o  111.491   12.720  5500.40  1130.88   0.0000   0.0000  5500.40  1130.88  ?   ?   111.491   12.720 0.000000 12.71990 
1 1 1   16   34   14 o   58.929   17.909  1732.59  932.775   0.0000   0.0000  1732.59  932.775  ?   ?    58.929   17.909 0.000000 17.90943 
1 1 1   16   36    0 o  152.707   29.488 11615.66  3523.86   0.0000   0.0000 11615.66  3523.86  ?   ?   152.707   29.488 0.000000 29.48758 
1 1 1   16   36    1 o  101.308   31.871  5365.47  2924.07   0.0000   0.0000  5365.47  2924.07  ?   ?   101.308   31.871 0.000000 31.87116 
1 1 1   16   36    2 o  157.132   29.730 12352.28  3654.20   0.0000   0.0000 12352.28  3654.20  ?   ?   157.132   29.730 0.000000 29.73003 
1 1 1   16   36    3 o   88.991   32.071  4013.22  2962.47   0.0000   0.0000  4013.22  2962.47  ?   ?    88.991   32.071 0.000000 32.07126 
1 1 1   16   36    4 o  121.446   33.400  8009.99  3396.36   0.0000   0.0000  8009.99  3396.36  ?   ?   121.446   33.400 0.000000 33.40024 
1 1 1   16   36    5 o   63.049   27.533  587.354  2664.94   0.0000   0.0000  587.354  2664.94  ?   ?    63.049   27.533 0.000000 27.53298 
1 1 1   16   36    6 o  121.830   33.461  8292.95  3411.44  986.505  8020.65  9906.68  3769.39   86.862   41.357  132.304   34.670 -45.44141 53.96661 
1 1 1   16   36    7 o   96.247   33.209  5308.76  3150.72  6317.92  8882.58  5163.52  3369.84   96.944   45.340   94.395   34.177 2.548561 56.77805 
1 1 1   16   36    8 o   98.221   31.439  5528.75  2835.49  8355.02  9283.31  5237.95  2977.79   97.737   45.914   94.832   32.298 2.904762 56.13624 
1 1 1   16   36    9 o   79.437   10.815  2719.51  679.432   0.0000   0.0000  2719.51  679.432  ?   ?    79.437   10.815 0.000000 10.81489 
1 1 1   16   36   10 o   81.246   10.737  2856.80  690.953   0.0000   0.0000  2856.80  690.953  ?   ?    81.246   10.737 0.000000 10.73695 
1 1 1   16   36   11 o   32.773   13.040  303.683  520.143   0.0000   0.0000  303.683  520.143  ?   ?    32.773   13.040 0.000000 13.04041 
1 1 1   16   36   12 o   58.520   15.411  1644.61  742.379   0.0000   0.0000  1644.61  742.379  ?   ?    58.520   15.411 0.000000 15.41076 
1 1 1   16   38    0 o  124.604   35.057  9287.68  3696.14   0.0000   0.0000  9287.68  3696.14  ?   ?   124.604   35.057 0.000000 35.05728 
1 1 1   16   38    1 o   79.225   31.524  3187.97  3039.71   0.0000   0.0000  3187.97  3039.71  ?   ?    79.225   31.524 0.000000 31.52414 
1 1 1   16   38    2 o  126.064   37.477 10096.11  4117.74   0.0000   0.0000 10096.11  4117.74  ?   ?   126.064   37.477 0.000000 37.47655 
1 1 1   16   38    3 o  122.536   38.912 10078.70  4350.31   0.0000   0.0000 10078.70  4350.31  ?   ?   122.536   38.912 0.000000 38.91170 
1 1 1   16   38    4 o  152.140   37.722 14650.27  4636.78   0.0000   0.0000 14650.27  4636.78  ?   ?   152.140   37.722 0.000000 37.72158 
1 1 1   16   38    5 o   70.114   30.724  1833.16  3343.83   0.0000   0.0000  1833.16  3343.83  ?   ?    70.114   30.724 0.000000 30.72377 
1 1 1   16   38    6 o   59.902   27.988 -398.1042  3370.85   0.0000   0.0000 -398.1042  3370.85  ?   ?    59.902   27.988 0.000000 27.98780 
1 1 1   16   38    7 o   87.492   34.080  5321.37  3486.86   0.0000   0.0000  5321.37  3486.86  ?   ?    87.492   34.080 0.000000 34.08023 
1 1 1   16   38    8 o   97.989   37.596  8125.08  4195.61   0.0000   0.0000  8125.08  4195.61  ?   ?    97.989   37.596 0.000000 37.59605 
1 1 1   16   38    9 o   79.317   34.021  5163.11  3925.00   0.0000   0.0000  5163.11  3925.00  ?   ?    79.317   34.021 0.000000 34.02134 
1 1 1   16   38   10 o   83.006   10.992  3057.54  722.628   0.0000   0.0000  3057.54  722.628  ?   ?    83.006   10.992 0.000000 10.99220 
1 1 1   16   40    0 o   71.259   33.233  2333.91  4718.31   0.0000   0.0000  2333.91  4718.31  ?   ?    71.259   33.233 0.000000 33.23329 
1 1 1   16   40    1 f   71.310   34.240  1781.26  5753.57   0.0000   0.0000  1781.26  5753.57  ?   ?    71.310   34.240 0.000000 34.24047 
1 1 1   16   40    2 o   59.826   29.405 -2551.3611  4966.67   0.0000   0.0000 -2551.3611  4966.67  ?   ?    59.826   29.405 0.000000 29.40484 
1 1 1   16   40    3 o   81.577   34.790  5277.74  4061.97   0.0000   0.0000  5277.74  4061.97  ?   ?    81.577   34.790 0.000000 34.78986 
1 1 1   16   40    4 o  101.826   38.246  9387.35  4286.52   0.0000   0.0000  9387.35  4286.52  ?   ?   101.826   38.246 0.000000 38.24628 
1 1 1   16   40    5 o   77.052   33.958  4984.11  4137.80   0.0000   0.0000  4984.11  4137.80  ?   ?    77.052   33.958 0.000000 33.95830 
1 1 1   16   40    6 o   47.581   23.741 -4474.0420  3723.25   0.0000   0.0000 -4474.0420  3723.25  ?   ?    47.581   23.741 0.000000 23.74095 
1 1 1   16   40    7 o   61.359   28.803  1827.12  3641.94   0.0000   0.0000  1827.12  3641.94  ?   ?    61.359   28.803 0.000000 28.80342 
1 1 1   17    1    2 f  273.997   10.120 30520.61  2251.43 32609.96  3176.29 28410.82  3191.79  283.053   13.820  263.722   14.967 19.33087 20.37193 
1 1 1   17    1    3 o  602.741   20.426 148155.30  9996.42 144765.00 14139.33 151543.50 14134.82  594.401   29.296  608.285   28.618 -13.88434 40.95456 
1 1 1   17    1    4 o  476.899   16.350 92545.76  6331.19 93399.29  8955.73 91693.03  8951.56  478.553   23.048  474.143   23.252 4.410431 32.73900 
1 1 1   17    1    5 o  199.903   7.7845 16230.61  1263.55 15185.49  1790.26 17267.99  1783.61  192.971   11.478  205.875   10.707 -12.90454 15.69617 
1 1 1   17    1    6 o   65.338   4.7800  1742.69  251.826  1523.77  359.224  1954.24  353.127   60.801   7.4310   69.078   6.3675 -8.277149 9.785966 
1 1 1   17    1    7 o  347.015   12.229 48929.02  3445.61 50940.29  4879.47 46928.66  4866.22  353.939   16.979  339.230   17.728 14.70804 24.54739 
1 1 1   17    1    8 o  735.546   35.285 221230.09 21073.34 217271.50 29804.45 225187.41 29799.95  724.415   50.996  737.814   50.039 -13.39929 71.44541 
1 1 1   17    1    9 o  229.913   8.6434 21471.95  1613.57 22777.84  2287.59 20178.92  2276.31  236.441   11.954  222.455   12.655 13.98628 17.40829 
1 1 1   17    1   10 f  386.328   13.435 60714.68  4214.27 59346.18  5967.21 62076.46  5952.57  381.054   19.350  390.263   18.785 -9.208893 26.96821 
1 1 1   17    1   11 o  285.137   10.308 33064.25  2386.60 35777.88  3384.76 30381.16  3365.66  296.388   14.065  272.622   15.266 23.76617 20.75714 
1 1 1   17    1   12 o  433.427   21.503 76948.91  7567.62 80940.19 10720.41 72984.58 10684.15  441.695   30.071  418.838   31.650 22.85669 43.65733 
1 1 1   17    1   13 o  188.051   7.8733 14376.60  1202.19 14535.89  1704.10 14218.78  1696.23  188.630   11.176  186.546   11.251 2.084412 15.85850 
1 1 1   17    1   14 o  234.143   9.1429 22305.42  1738.22 23297.75  2464.88 21323.75  2451.61  238.713   12.763  228.276   13.284 10.43642 18.42190 
1 1 1   17    1   15 o  240.943   9.4992 23634.13  1858.41 23709.61  2630.43 23558.90  2625.95  240.613   13.519  239.842   13.540 0.7711639 19.13298 
1 1 1   17    1   16 o  315.679   11.667 40660.24  2990.55 40274.16  4231.88 41045.38  4226.67  312.924   16.716  315.958   16.533 -3.034149 23.51064 
1 1 1   17    1   17 o  332.481   12.328 45208.99  3328.23 41705.07  4702.98 48724.40  4710.68  317.437   18.324  344.075   16.861 -26.63745 24.90150 
1 1 1   17    1   18 o   31.171   11.736  292.103  404.102  462.246  601.551  152.179  545.521   38.415   14.347   32.150   13.151 6.264885 19.46295 
1 1 1   17    1   19 o  100.479   9.0545  4166.54  730.785  3660.50  1027.42  4684.72  1039.66   93.029   14.038  105.906   12.320 -12.87663 18.67811 
1 1 1   17    1   20 o   16.867   8.3016 -841.8430  400.446  188.311  615.734 -1596.9351  527.160   34.155   13.972   16.975   8.5356 17.17939 16.37283 
1 1 1   17    1   21 o  139.959   9.3511  8106.71  1056.56  8322.20  1466.94  7874.42  1523.03  140.595   12.997  136.362   13.952 4.233719 19.06788 
1 1 1   17    1   22 o  123.448   10.231  6369.51  1016.22  7147.89  1434.51  5585.38  1439.81  129.331   13.877  113.167   16.125 16.16431 21.27445 
1 1 1   17    1   23 o   31.849   13.830 -40.1009  664.463 -479.7588  879.297  545.192  1014.53   32.513   14.869   45.033   18.112 -12.52009 23.43326 
1 1 1   17    1   24 o   84.020   16.086  3233.19  1057.44  3274.31  3197.05  3228.14  1120.50   77.752   31.825   83.345   17.130 -5.592529 36.14268 
1 1 1   17    1   25 o   53.543   19.059  1363.55  1043.18  1363.55  1043.18   0.0000   0.0000   53.543   19.059  ?   ?  0.000000 19.05921 
1 1 1   17    3    0 o  754.705   53.788 242273.20 32745.11   0.0000   0.0000 242273.20 32745.11  ?   ?   754.705   53.788 0.000000 53.78764 
1 1 1   17    3    1 o  396.246   13.603 63906.94  4376.69 65686.87  6171.07 62105.51  6208.23  401.245   18.941  389.587   19.690 11.65839 27.32135 
1 1 1   17    3    2 o  575.931   19.175 135257.00  8966.72 133004.59 12683.72 137507.30 12678.00  569.812   27.414  579.465   26.945 -9.652710 38.43957 
1 1 1   17    3    3 o  694.406   23.251 196802.41 13109.57 194157.20 18548.99 199442.30 18530.49  687.841   33.212  697.247   32.731 -9.406128 46.63004 
1 1 1   17    3    4 o  396.294   13.587 63853.30  4372.03 65565.52  6196.77 62156.24  6169.28  401.289   19.018  390.691   19.447 10.59805 27.20100 
1 1 1   17    3    5 o  1028.70   34.568 433108.91 28873.35 429879.19 40847.25 436334.09 40818.93  1020.62   49.290  1028.39   48.884 -7.771118 69.42027 
1 1 1   17    3    6 o  677.569   23.050 186982.70 12681.07 186390.41 17947.98 187573.09 17919.54  675.403   32.728  677.563   32.572 -2.160095 46.17366 
1 1 1   17    3    7 o  1079.89   35.981 476846.41 31549.08 509821.41 44633.48 443919.59 44600.81  1113.09   49.385  1036.27   53.186 76.82800 72.57826 
1 1 1   17    3    8 o  225.368   8.5393 20629.13  1562.62 19952.22  2223.92 21289.21  2196.10  221.237   12.430  228.591   11.873 -7.354202 17.18948 
1 1 1   17    3    9 o  469.057   16.044 89499.06  6110.32 91200.08  8656.11 87809.66  8626.55  473.039   22.537  464.134   22.891 8.904633 32.12278 
1 1 1   17    3   10 o  480.893   16.330 94183.02  6376.31 96972.27  9032.83 91412.72  9002.17  487.231   22.832  472.980   23.440 14.25119 32.72264 
1 1 1   17    3   11 o  636.331   21.493 165660.80 11105.13 157300.70 15719.27 173990.59 15690.83  616.594   31.503  649.859   29.736 -33.26447 43.32054 
1 1 1   17    3   12 o  931.486   37.117 361790.69 28073.21 354044.00 48687.39 365649.09 34360.25  892.666   67.676  930.309   45.487 -37.64270 81.54192 
1 1 1   17    3   13 o  264.917   10.008 28556.78  2152.68 27631.80  3053.69 29470.52  3035.10  259.866   14.530  268.476   13.971 -8.609344 20.15758 
1 1 1   17    3   14 o  289.501   10.732 34129.44  2522.75 34828.31  3578.15 33438.67  3557.36  291.623   15.163  285.692   15.392 5.930969 21.60665 
1 1 1   17    3   15 o  181.222   7.9911 13359.72  1175.85 12784.47  1665.01 13932.06  1660.81  176.698   11.671  184.558   11.135 -7.860367 16.13057 
1 1 1   17    3   16 o  116.275   7.2053  5520.58  676.913  5445.40  973.204  5591.04  942.149  115.099   10.530  116.705   10.040 -1.606026 14.54951 
1 1 1   17    3   17 o   48.290   11.091  990.433  425.714 -85.9826  600.407  2078.71  603.707   30.396   13.173   70.537   10.892 -40.14137 17.09240 
1 1 1   17    3   18 o  147.821   8.1163  8941.52  970.430 10244.17  1410.96  7772.14  1336.83  157.744   11.086  137.086   12.135 20.65759 16.43711 
1 1 1   17    3   19 f  155.626   8.4068  9935.16  1058.37 10284.53  1512.71  9600.13  1481.31  157.542   11.914  152.133   12.092 5.409164 16.97466 
1 1 1   17    3   20 o  141.672   8.8610  8267.93  1014.19  8806.94  1415.74  7699.73  1453.57  145.348   12.106  135.437   13.393 9.911758 18.05375 
1 1 1   17    3   21 o  138.931   8.9543  7977.84  1004.74  8260.70  1387.26  7665.76  1457.14  140.301   12.302  134.666   13.508 5.634766 18.27036 
1 1 1   17    3   22 o   55.966   18.650  1332.51  992.784 -1863.7360  2519.87  1919.79  1080.15   50.831   23.892   65.295   19.137 -14.46465 30.61186 
1 1 1   17    3   23 o   70.786   20.045  2347.32  1204.29  3634.28  2982.55  2096.62  1316.37   84.121   31.835   67.092   21.415 17.02882 38.36777 
1 1 1   17    3   24 o   41.549   15.118  674.768  660.570  672.403  745.886  683.371  1422.37   42.492   15.955   50.269   20.963 -7.776951 26.34402 
1 1 1   17    3   25 o   50.275   15.131  1188.98  668.203  1509.39  802.570  465.068  1206.35   55.881   16.530   44.431   18.954 11.44967 25.14935 
1 1 1   17    5    0 o  319.808   23.703 42032.56  6111.23   0.0000   0.0000 42032.56  6111.23  ?   ?   319.808   23.703 0.000000 23.70302 
1 1 1   17    5    1 o  594.834   22.087 144436.09 10667.90 168444.80 18547.61 132567.41 13040.82  638.548   35.919  568.888   28.232 69.66016 45.68600 
1 1 1   17    5    2 o  346.157   12.786 48724.92  3593.77 51380.57  5074.00 46051.67  5090.77  355.210   17.592  335.698   18.751 19.51184 25.71209 
1 1 1   17    5    3 o  1134.45   80.985 553323.00 74108.33 553323.00 74108.33   0.0000   0.0000  1134.45   80.985  ?   ?  0.000000 80.98534 
1 1 1   17    5    4 o  800.249   26.304 261288.80 17091.77 262482.31 24181.89 260097.41 24160.95  800.084   37.223  796.412   37.363 3.672607 52.74043 
1 1 1   17    5    5 o  791.984   26.183 255759.59 16837.22 259413.41 23825.36 252114.50 23797.50  795.924   36.866  784.557   37.357 11.36713 52.48476 
1 1 1   17    5    6 o  1487.78   49.113 911065.00 59330.02 959774.19 83920.64 862391.31 83890.00  1517.51   68.108  1434.50   72.255 83.01123 99.29496 
1 1 1   17    5    7 o  1003.68   39.058 412474.69 31830.60 409538.50 55114.32 413944.31 38990.69  989.030   69.064  1003.34   47.860 -14.31329 84.02627 
1 1 1   17    5    8 o  588.483   20.026 140956.50  9568.84 140654.30 13548.81 141257.20 13516.03  587.094   28.422  588.365   28.292 -1.270691 40.10302 
1 1 1   17    5    9 o  214.617   8.2998 18711.26  1446.35 18096.49  2059.66 19309.35  2031.52  210.644   12.093  217.654   11.536 -7.009857 16.71308 
1 1 1   17    5   10 o  464.739   15.667 87971.64  5911.98 87253.59  8377.26 88684.08  8344.44  462.064   22.329  465.873   22.059 -3.809113 31.38752 
1 1 1   17    5   11 o   60.623   7.7091  1517.65  370.887  1477.75  429.770  1634.08  734.106   59.596   9.1757   62.085   14.776 -2.488079 17.39327 
1 1 1   17    5   12 o  230.277   10.417 21575.73  1947.71 21203.07  3452.42 21749.71  2358.95  226.939   18.908  230.741   12.639 -3.802078 22.74325 
1 1 1   17    5   13 o  632.196   21.493 164013.30 11033.01 166268.00 15619.82 161768.30 15586.31  633.158   30.383  624.373   30.744 8.784241 43.22383 
1 1 1   17    5   14 o  327.860   12.171 43817.07  3240.01 45235.84  4599.55 42419.64  4564.79  332.039   17.119  321.421   17.557 10.61795 24.52146 
1 1 1   17    5   15 o  314.341   11.551 40288.69  2948.19 38998.42  4187.13 41557.30  4151.82  308.082   16.802  318.204   16.122 -10.12277 23.28547 
1 1 1   17    5   16 o  328.838   12.340 44163.25  3294.90 42644.41  4674.22 45663.35  4645.31  321.582   17.973  333.006   17.239 -11.42410 24.90411 
1 1 1   17    5   17 o  295.747   11.274 35750.13  2707.19 34651.67  3839.33 36836.34  3817.85  289.642   16.392  298.841   15.790 -9.198853 22.76036 
1 1 1   17    5   18 o   52.639   11.240  1178.93  465.810  1284.73  622.726  1044.54  701.861   54.786   13.959   50.288   15.581 4.498264 20.91943 
1 1 1   17    5   19 o   82.796   9.4372  2846.03  623.107  1729.94  839.159  4217.67  930.281   63.170   16.263  100.534   11.610 -37.36332 19.98210 
1 1 1   17    5   20 o  301.026   13.751 37786.46  3361.00 43233.77  6150.75 35467.49  4013.14  312.513   24.434  289.073   17.175 23.44046 29.86618 
1 1 1   17    5   21 o   67.283   18.564  2015.83  1047.27 -579.1139  2409.04  2620.50  1162.90   56.140   25.247   76.479   18.848 -20.33921 31.50646 
1 1 1   17    5   22 o   74.510   11.899  2379.56  695.664  2759.69  828.416  1470.30  1281.22   79.908   13.231   59.559   21.130 20.34900 24.93094 
1 1 1   17    5   23 o   88.420   10.632  3324.95  748.042  2495.16  984.432  4458.72  1150.70   74.014   16.769  100.805   14.474 -26.79039 22.15159 
1 1 1   17    5   24 o   26.087   11.732 -195.2544  520.188 -116.4858  620.102 -382.3376  955.661   29.558   13.080   34.304   15.615 -4.746359 20.36994 
1 1 1   17    5   25 o   45.677   15.286  955.286  666.861  1207.32  774.140  230.256  1313.00   50.396   16.453   43.461   19.143 6.934536 25.24187 
1 1 1   17    7    0 o  1236.48   89.887 669674.88 89627.53   0.0000   0.0000 669674.88 89627.53  ?   ?   1236.48   89.887 0.000000 89.88728 
1 1 1   17    7    1 o  624.754   30.410 159730.70 15426.50 155441.41 21831.95 164007.80 21800.82  612.099   44.225  629.200   42.929 -17.10168 61.63353 
1 1 1   17    7    2 o  1046.03   50.662 453249.41 43029.05 444857.91 60863.95 461634.41 60840.61  1022.63   73.795  1042.76   72.304 -20.12958 103.3129 
1 1 1   17    7    3 o  1199.45   58.156 598197.00 56639.09 597695.31 80125.02 598698.12 80074.55  1181.34   84.081  1182.43   83.948 -1.088013 118.8147 
1 1 1   17    7    4 o  1084.59   42.320 483074.59 37269.29 463912.09 64626.62 492622.81 45619.16  1046.93   76.555  1092.29   51.436 -45.35974 92.23033 
1 1 1   17    7    5 o  361.707   12.809 53166.49  3762.04 54568.47  5321.15 51765.37  5319.51  366.277   17.892  356.250   18.453 10.02771 25.70291 
1 1 1   17    7    6 o  1092.82   42.096 489649.81 37352.80 457748.00 64632.78 505648.19 45770.40  1042.18   76.922  1108.03   50.874 -65.84363 92.22340 
1 1 1   17    7    7 o  928.661   30.894 352113.91 23295.68 380835.41 32956.84 323433.50 32933.30  963.457   42.128  885.868   45.943 77.58917 62.33442 
1 1 1   17    7    8 o  604.665   19.710 148862.09  9677.18 150898.70 13698.71 146833.30 13672.53  607.932   27.751  599.646   28.081 8.285583 39.48037 
1 1 1   17    7    9 o  414.197   14.511 69809.82  4880.36 69178.10  6916.71 70436.15  6887.12  411.308   20.778  415.587   20.410 -4.278961 29.12526 
1 1 1   17    7   10 o  170.785   8.5380 11854.83  1183.98 12509.00  1458.45 10590.43  2027.63  175.086   10.304  160.439   15.768 14.64720 18.83675 
1 1 1   17    7   11 o  555.276   18.545 125990.00  8361.47 124326.30 11844.23 127643.00 11805.66  549.745   26.534  557.148   26.096 -7.403992 37.21683 
1 1 1   17    7   12 o  168.801   8.7619 11618.04  1196.79 12578.75  2216.34 11222.62  1421.91  174.855   15.781  165.724   10.623 9.131393 19.02297 
1 1 1   17    7   13 o  200.843   8.2756 16404.21  1349.56 17179.42  1927.23 15658.33  1890.43  205.039   11.624  195.683   11.955 9.356644 16.67455 
1 1 1   17    7   14 o  312.379   11.372 39764.38  2884.39 37064.73  4101.58 42405.76  4057.08  300.454   16.881  322.072   15.514 -21.61774 22.92710 
1 1 1   17    7   15 f  204.783   8.6907 17069.31  1445.07 17996.35  2055.14 16162.75  2032.32  209.671   12.123  198.587   12.670 11.08363 17.53576 
1 1 1   17    7   16 o  187.734   8.1770 14348.94  1246.45 13981.06  1784.27 14699.57  1741.97  184.635   11.966  189.429   11.378 -4.793533 16.51215 
1 1 1   17    7   17 o  206.241   8.9381 17350.46  1496.78 16091.55  2131.46 18575.27  2102.39  197.607   13.363  212.617   12.229 -15.01096 18.11422 
1 1 1   17    7   18 o  166.418   10.171 11387.56  1367.71 11001.48  2898.33 11498.16  1551.30  159.513   23.046  166.933   11.515 -7.419601 25.76266 
1 1 1   17    7   19 o  164.258   13.113 11243.89  1734.38 10345.93  2825.51 11786.79  2196.98  153.298   23.445  167.012   16.413 -13.71335 28.61903 
1 1 1   17    7   20 o   31.806   12.355  270.735  457.262   86.804  575.387  586.010  753.317   31.715   13.288   42.593   16.027 -10.87869 20.81860 
1 1 1   17    7   21 o   67.373   10.838  1928.11  572.767  1729.48  745.363  2214.53  895.058   62.766   14.856   70.866   15.941 -8.099930 21.79058 
1 1 1   17    7   22 o   24.373   11.086 -271.2717  480.423 -288.9141  570.828 -228.4265  889.565   26.829   12.156   35.048   15.580 -8.219358 19.76179 
1 1 1   17    7   23 o   36.130   13.695  432.082  552.521  310.366  634.898  811.950  1121.62   35.669   14.334   49.163   19.279 -13.49410 24.02404 
1 1 1   17    7   24 o   52.204   14.343  1248.61  626.659  1481.03  726.346  571.898  1239.38   56.469   15.411   46.821   19.550 9.648563 24.89380 
1 1 1   17    7   25 o  118.496   11.664  6231.98  1107.72  5211.12  1352.17  8315.13  1931.56  104.012   16.566  128.664   19.066 -24.65211 25.25779 
1 1 1   17    9    0 o  927.433   65.067 361617.31 48687.98   0.0000   0.0000 361617.31 48687.98  ?   ?   927.433   65.067 0.000000 65.06675 
1 1 1   17    9    1 f  933.560   36.810 357208.41 27902.62 362289.50 48325.47 354667.31 34174.75  929.110   64.456  927.961   45.356 1.149048 78.81496 
1 1 1   17    9    2 o  1258.40   61.011 658903.31 62340.45 668683.81 88175.47 649128.38 88149.93  1249.23   87.481  1229.73   88.881 19.50586 124.7109 
1 1 1   17    9    3 o  574.833   23.821 134627.80 11118.16 134744.80 19375.84 134570.30 13575.55  571.450   42.054  573.460   29.252 -2.010254 51.22729 
1 1 1   17    9    4 o  977.034   46.103 392357.09 36574.20   0.0000   0.0000 392357.09 36574.20  ?   ?   977.034   46.103 0.000000 46.10273 
1 1 1   17    9    5 o  654.162   25.598 174372.09 13596.77 189111.00 23644.93 167090.59 16619.42  677.622   43.200  638.890   32.140 38.73193 53.84394 
1 1 1   17    9    6 o  528.662   17.585 113673.40  7548.31 126015.70 10675.69 101334.60 10674.15  556.214   23.638  497.872   26.500 58.34164 35.51070 
1 1 1   17    9    7 o  669.615   22.321 182671.09 12136.17 193059.59 17166.65 172291.09 17159.64  687.320   30.760  648.215   32.708 39.10449 44.89989 
1 1 1   17    9    8 o  704.309   25.580 202670.50 14628.52 206856.80 17916.40 194298.41 25336.79  710.482   31.057  683.376   45.929 27.10553 55.44344 
1 1 1   17    9    9 o  311.436   10.898 39441.83  2755.89 38854.53  3903.49 40025.49  3891.37  308.448   15.637  313.483   15.288 -5.034790 21.86867 
1 1 1   17    9   10 o  750.560   24.754 231209.30 15085.79 221923.91 21345.82 240475.20 21323.26  730.953   35.965  761.586   34.482 -30.63306 49.82507 
1 1 1   17    9   11 o  806.830   26.347 267984.09 17260.63 248855.80 24424.56 287067.50 24395.90  770.187   39.186  829.994   36.200 -59.80743 53.34726 
1 1 1   17    9   12 f  383.885   15.917 60176.42  4961.42 58444.61  8743.71 60998.80  6025.35  374.778   28.958  385.988   19.225 -11.21021 34.75862 
1 1 1   17    9   13 o   96.072   6.7278  3769.99  521.505  4596.94  727.323  2895.00  748.158  105.966   8.5253   83.548   11.320 22.41858 14.17127 
1 1 1   17    9   14 o  524.440   18.402 112834.00  7836.22 119844.00 11108.61 105890.60 11055.75  537.946   25.432  504.317   27.098 33.62878 37.16328 
1 1 1   17    9   15 o   31.471   12.505  209.203  477.734 -483.5566  1151.40  353.265  525.063   39.377   17.600   35.117   13.341 4.260269 22.08473 
1 1 1   17    9   16 o  267.881   12.236 29339.25  2661.40 29697.82  4828.98 29182.83  3189.52  266.407   22.535  266.334   14.807 0.7345581E-01 26.96474 
1 1 1   17    9   17 o  193.794   13.239 15500.11  2070.81 15824.39  3253.05 15279.17  2685.13  193.466   21.048  191.248   17.485 2.217667 27.36312 
1 1 1   17    9   18 o   93.673   9.7304  3633.30  729.293  3241.25  910.411  4335.44  1218.36   87.676   13.198  101.114   15.320 -13.43792 20.22054 
1 1 1   17    9   19 o  118.089   8.1726  5736.58  778.809  6591.61  1085.92  4831.00  1117.56  126.060   10.711  107.161   13.118 18.89893 16.93497 
1 1 1   17    9   20 o   55.401   12.621  1326.98  555.063  1026.97  687.497  1888.67  940.705   49.396   15.440   65.448   17.401 -16.05212 23.26377 
1 1 1   17    9   21 o  111.919   8.7212  5194.11  786.276  4951.12  1063.87  5486.60  1167.23  108.127   12.339  113.688   12.871 -5.561882 17.83004 
1 1 1   17    9   22 o  114.998   9.2293  5521.99  854.517  5643.26  1123.29  5355.41  1316.51  115.095   12.206  110.786   15.023 4.309456 19.35646 
1 1 1   17    9   23 o   70.831   11.583  2179.47  643.133  2805.00  784.772  900.182  1122.28   80.178   12.459   49.965   19.370 30.21311 23.03109 
1 1 1   17    9   24 o  121.299   10.204  6313.20  995.652  5749.75  1306.32  7094.23  1538.00  112.640   14.628  124.434   15.563 -11.79404 21.35848 
1 1 1   17    9   25 o  109.023   11.622  5313.73  1012.94  5713.51  1200.47  4325.52  1887.41  111.311   13.563   83.364   25.505 27.94640 28.88693 
1 1 1   17   11    1 o  1215.70   58.865 612625.62 58106.08   0.0000   0.0000 612625.62 58106.08  ?   ?   1215.70   58.865 0.000000 58.86508 
1 1 1   17   11    2 o  1018.01   71.197 435175.31 58479.75   0.0000   0.0000 435175.31 58479.75  ?   ?   1018.01   71.197 0.000000 71.19671 
1 1 1   17   11    3 o  433.661   21.553 76552.98  7589.36 81873.61 10762.59 71290.48 10703.62  446.957   29.827  416.637   31.882 30.31952 43.65910 
1 1 1   17   11    4 o  262.948   14.231 28185.18  3027.07 17548.75  5395.18 33071.85  3656.91  204.611   33.644  284.766   15.879 -80.15468 37.20280 
1 1 1   17   11    5 o  429.820   19.856 75185.27  6929.72 55147.57 12137.81 84874.87  8440.52  364.302   41.790  456.503   22.771 -92.20117 47.59108 
1 1 1   17   11    6 o  774.937   30.014 245393.59 18885.24 265330.31 32838.45 235541.30 23084.66  799.451   50.853  757.843   37.515 41.60901 63.19333 
1 1 1   17   11    7 o  288.960   12.293 33948.28  2884.26 38080.89  5134.60 32043.11  3486.27  304.919   20.864  280.199   15.382 24.72055 25.92155 
1 1 1   17   11    8 o  399.931   16.409 65167.56  5328.50 64613.84  6516.46 66284.85  9256.51  397.347   20.265  400.899   28.625 -3.551880 35.07195 
1 1 1   17   11    9 o  470.629   16.580 90347.41  6335.88 87454.46  8967.32 93231.32  8953.29  461.234   24.027  477.023   23.116 -15.78970 33.34140 
1 1 1   17   11   10 o  309.122   10.733 38881.86  2693.84 34889.61  3815.25 42850.81  3804.11  291.968   16.156  324.220   14.450 -32.25232 21.67570 
1 1 1   17   11   11 o  675.954   23.116 187676.30 12687.53 186523.70 17957.68 188825.00 17928.10  669.847   33.017  674.091   32.755 -4.244019 46.50809 
1 1 1   17   11   12 o  247.469   11.019 24938.49  2214.09 30052.36  4046.11 22752.62  2645.30  270.289   18.548  235.762   13.880 34.52673 23.16663 
1 1 1   17   11   13 o  270.420   11.963 29811.63  2626.73 31871.45  4760.71 28910.10  3149.53  277.584   21.284  265.627   14.659 11.95645 25.84419 
1 1 1   17   11   14 o  218.005   10.646 19368.88  1884.46 17939.03  3486.79 19958.87  2239.75  207.656   20.967  220.785   12.545 -13.12878 24.43343 
1 1 1   17   11   15 o  363.309   15.470 54113.17  4563.48 54664.00  5605.43 53030.52  7858.60  363.768   19.044  354.996   27.478 8.772736 33.43197 
1 1 1   17   11   16 f  142.139   8.8559  8269.51  1017.00  7816.97  1259.93  9115.69  1722.86  137.809   11.361  148.300   14.493 -10.49094 18.41522 
1 1 1   17   11   17 o  124.734   7.6626  6370.46  772.310  6534.19  1085.96  6202.90  1098.57  125.829   10.732  122.492   11.168 3.337463 15.48858 
1 1 1   17   11   18 o   31.821   10.859  383.836  336.583  1027.18  415.582 -842.7464  573.829   49.055   10.732   22.411   10.775 26.64344 15.20768 
1 1 1   17   11   19 o   62.224   9.5465  1627.44  466.921  1415.77  590.453  1980.74  762.823   57.279   12.994   67.670   14.329 -10.39133 19.34363 
1 1 1   17   11   20 o  124.118   8.6775  6367.26  869.020  6640.24  1137.50  5984.58  1346.81  126.025   11.234  118.534   14.281 7.491333 18.16998 
1 1 1   17   11   21 f   97.006   8.8216  3916.99  687.246  3638.43  883.826  4342.99  1092.98   92.477   12.057  100.517   13.752 -8.040070 18.28956 
1 1 1   17   11   22 o  117.898   9.0578  5808.29  860.468  5524.32  1117.82  6221.28  1348.03  113.611   12.315  119.696   14.143 -6.084686 18.75335 
1 1 1   17   11   23 o   87.076   10.539  3251.19  729.979  3284.03  873.233  3174.99  1330.12   86.460   12.828   80.747   20.307 5.713104 24.01949 
1 1 1   17   11   24 o   48.325   13.272  1073.51  536.693  1319.96  591.543 -73.5600  1276.21   53.418   13.602   41.101   18.438 12.31656 22.91257 
1 1 1   17   13    0 o  321.007   17.017 42023.68  4419.57   0.0000   0.0000 42023.68  4419.57  ?   ?   321.007   17.017 0.000000 17.01691 
1 1 1   17   13    1 o  777.143   30.714 246562.30 19380.97 243150.00 33582.49 248266.50 23731.92  765.399   54.391  778.758   37.531 -13.35992 66.08266 
1 1 1   17   13    2 o  1140.67   45.293 534747.88 41949.68 568149.38 72626.65 518024.81 51389.09  1159.89   77.563  1117.44   56.825 42.44617 96.15137 
1 1 1   17   13    3 o  632.628   30.743 163447.50 15791.74 169043.00 22372.65 157891.50 22293.33  640.098   43.301  618.201   44.714 21.89740 62.24406 
1 1 1   17   13    4 o  211.488   12.476 18241.43  2132.96 22591.28  3079.81 14231.96  2956.86  235.121   16.232  185.923   19.895 49.19785 25.67662 
1 1 1   17   13    5 o  1384.18   67.683 807497.31 76069.65 834480.38 107640.30 780575.88 107517.30  1378.36   96.791  1329.18  100.362 49.17883 139.4315 
1 1 1   17   13    6 o  224.301   10.810 20451.18  1968.79 19304.71  3604.20 20938.77  2350.46  216.580   20.749  226.540   12.831 -9.959946 24.39584 
1 1 1   17   13    7 o  636.735   45.493 170160.50 23365.33 170160.50 23365.33   0.0000   0.0000  636.735   45.493  ?   ?  0.000000 45.49292 
1 1 1   17   13    8 o  195.812   9.5009 15590.82  1510.57 16289.85  2808.43 15306.26  1791.85  199.015   17.560  193.611   11.449 5.403351 20.96238 
1 1 1   17   13    9 o  428.144   17.490 74864.51  6080.21 77293.32 10733.51 73716.86  7378.15  431.298   30.853  423.673   21.518 7.624451 37.61609 
1 1 1   17   13   10 o  272.694   11.779 30280.63  2608.01 34090.97  4720.58 28606.63  3128.88  287.793   20.332  264.436   14.629 23.35657 25.04805 
1 1 1   17   13   11 o  117.940   8.5452  5686.82  812.768  4781.85  1629.78  5986.38  937.690  106.392   19.588  120.912   9.6309 -14.52007 21.82740 
1 1 1   17   13   12 o  431.187   22.157 76709.36  7731.11 76494.73 11107.71 76911.02 10767.11  426.785   32.293  428.435   31.165 -1.649384 44.87814 
1 1 1   17   13   13 o  223.474   8.7226 20324.83  1582.75 18352.26  1931.96 24350.91  2760.09  211.883   11.270  243.742   14.005 -31.85960 17.97650 
1 1 1   17   13   14 o  384.313   16.699 60595.86  5210.90 59996.86  6396.52 61777.73  8984.97  380.785   20.767  382.986   29.111 -2.200897 35.75907 
1 1 1   17   13   15 o  164.281   7.8803 10989.75  1051.16 10192.47  1452.86 11865.59  1522.74  157.542   11.436  170.098   11.086 -12.55554 15.92694 
1 1 1   17   13   16 o   82.624   7.5359  2805.30  500.005  2430.62  658.748  3314.53  767.981   76.303   10.946   89.361   10.804 -13.05856 15.37985 
1 1 1   17   13   17 o  152.431   8.0303  9518.33  990.391  9991.00  1398.58  9042.88  1402.68  155.548   11.147  147.794   11.787 7.753204 16.22309 
1 1 1   17   13   18 o  121.977   7.9890  6114.26  786.866  7608.69  1077.54  4406.87  1151.76  135.730   9.8442  101.968   14.305 33.76194 17.36460 
1 1 1   17   13   19 o   34.776   11.068  492.201  351.798  448.405  390.333  681.739  812.013   34.208   11.693   44.865   16.686 -10.65704 20.37576 
1 1 1   17   13   20 f   92.526   8.5428  3554.01  634.558  3739.78  802.897  3244.88  1035.72   94.370   10.665   86.307   15.342 8.063133 18.68454 
1 1 1   17   13   21 o   64.740   11.036  1797.36  559.324  1901.53  668.280  1553.74  1022.04   66.055   12.923   59.254   18.865 6.800869 22.86687 
1 1 1   17   13   22 o   97.647   9.2106  4009.73  721.644  4162.87  881.844  3699.27  1255.60   98.716   11.200   89.712   17.865 9.003067 21.08535 
1 1 1   17   13   23 o  117.268   9.8011  5855.39  924.684  6960.54  1183.71  4125.09  1481.13  126.758   11.631   91.398   20.467 35.36072 23.54093 
1 1 1   17   13   24 f   65.845   12.106  1963.55  623.407  1610.12  717.131  3056.75  1261.26   57.973   15.089   76.367   20.076 -18.39330 25.11361 
1 1 1   17   15    0 o  269.610   15.048 29651.74  3281.12   0.0000   0.0000 29651.74  3281.12  ?   ?   269.610   15.048 0.000000 15.04817 
1 1 1   17   15    1 o  484.537   19.775 95597.09  7780.13 96741.08 13511.90 95029.67  9515.91  484.769   34.554  482.118   24.388 2.650848 42.29335 
1 1 1   17   15    2 o  641.712   25.720 168074.41 13401.22 187797.00 23199.60 158197.80 16417.32  673.917   42.617  620.720   32.689 53.19696 53.70975 
1 1 1   17   15    3 o  494.886   24.619 99983.85  9892.64 102363.80 14046.06 97641.32 13935.21  498.165   34.946  486.349   35.534 11.81564 49.83880 
1 1 1   17   15    4 o  917.865   44.437 349363.91 33117.93 372336.19 46895.12 326507.31 46776.77  936.512   62.021  873.950   66.415 62.56238 90.87145 
1 1 1   17   15    5 o  626.427   28.951 161077.20 14725.44 175218.09 21091.08 147628.30 20568.58  648.883   40.229  594.397   42.906 54.48584 58.81585 
1 1 1   17   15    6 o  211.934   19.030 18485.78  3239.88 18485.78  3239.88   0.0000   0.0000  211.934   19.030  ?   ?  0.000000 19.03021 
1 1 1   17   15    7 f  434.360   16.325 76973.32  5757.57 92121.29 10209.02 69908.22  6972.14  472.520   26.718  412.791   20.869 59.72903 33.90275 
1 1 1   17   15    8 o  436.275   17.461 77745.77  6185.27 83585.22 10942.50 75003.98  7498.03  448.696   30.211  427.277   21.683 21.41922 37.18678 
1 1 1   17   15    9 o  166.347   11.586 11321.44  1555.18 12520.85  2348.83 10385.19  2075.22  174.282   16.806  158.647   16.344 15.63493 23.44315 
1 1 1   17   15   10 f   42.061   13.278  710.121  507.144  1927.40  866.099   74.986  625.612   67.351   16.063   33.181   13.875 34.16949 21.22593 
1 1 1   17   15   11 o  424.867   21.625 74418.65  7435.49 78967.17 10696.77 70166.13 10342.88  434.474   30.515  409.081   31.377 25.39288 43.76875 
1 1 1   17   15   12 o   95.774   8.8748  3765.03  682.316  6333.07  1396.13  2959.20  782.077  123.715   14.153   84.394   11.730 39.32084 18.38228 
1 1 1   17   15   13 o   96.219   9.5619  3808.05  737.145  6083.02  1475.76  3051.74  850.899  120.940   15.376   85.547   12.630 35.39246 19.89790 
1 1 1   17   15   14 o  312.625   11.196 39902.33  2842.10 38849.95  4040.32 40933.13  3998.67  307.108   16.261  315.807   15.594 -8.698883 22.52949 
1 1 1   17   15   15 o  161.901   8.5642 10719.13  1121.83 11465.13  1580.20  9961.09  1592.90  166.941   11.732  155.359   12.740 11.58296 17.31875 
1 1 1   17   15   16 o  236.403   10.107 22891.98  1940.01 23841.85  2780.40 21990.81  2708.19  239.777   14.347  230.174   14.566 9.602997 20.44491 
1 1 1   17   15   17 o  170.277   8.7356 11904.95  1203.71 13913.24  1697.65  9874.46  1707.00  183.400   11.458  153.693   13.827 29.70660 17.95685 
1 1 1   17   15   18 o  136.458   8.0264  7655.27  885.398  7053.98  1200.06  8373.58  1311.65  130.112   11.477  141.839   11.488 -11.72635 16.23830 
1 1 1   17   15   19 o  124.301   7.9783  6368.86  800.986  6112.43  1058.53  6712.39  1225.19  120.975   10.893  126.423   12.083 -5.448044 16.26798 
1 1 1   17   15   20 o  101.018   8.3695  4234.67  680.314  4002.93  836.195  4688.39  1170.03   97.514   10.739  104.340   14.178 -6.825851 17.78562 
1 1 1   17   15   21 o   51.688   10.709  1158.05  434.690  1393.23  473.766 -93.7571  1093.04   56.828   10.659   39.905   17.524 16.92316 20.51115 
1 1 1   17   15   22 o   84.981   9.3999  3061.84  637.750  2838.09  748.482  3654.69  1218.37   80.838   11.747   88.768   17.526 -7.930397 21.09854 
1 1 1   17   15   23 o  127.755   9.8809  6993.84  1017.00  7135.40  1267.76  6738.30  1703.38  127.143   12.440  118.323   18.322 8.819901 22.14581 
1 1 1   17   17    0 o  257.180   15.111 27020.79  3141.60   0.0000   0.0000 27020.79  3141.60  ?   ?   257.180   15.111 0.000000 15.11082 
1 1 1   17   17    1 o  271.858   12.741 30067.32  2812.43 29058.23  4927.96 30554.75  3424.98  265.648   23.076  273.483   15.487 -7.834747 27.79122 
1 1 1   17   17    2 o  890.390   35.869 327538.00 25931.99 353212.81 44922.77 314706.91 31757.50  907.906   61.297  867.265   45.255 40.64130 76.19254 
1 1 1   17   17    3 o  939.845   68.925 385898.00 52231.29 385898.00 52231.29   0.0000   0.0000  939.845   68.925  ?   ?  0.000000 68.92480 
1 1 1   17   17    4 o  639.899   46.331 173054.91 23909.81 173054.91 23909.81   0.0000   0.0000  639.899   46.331  ?   ?  0.000000 46.33138 
1 1 1   17   17    5 o  225.947   14.009 20880.84  2557.42 17197.39  3691.05 24281.86  3546.73  203.617   22.712  243.163   18.093 -39.54648 29.03810 
1 1 1   17   17    6 o  262.880   15.390 28282.38  3270.75 24784.85  4728.90 31490.02  4528.68  244.530   24.132  276.654   20.302 -32.12326 31.53601 
1 1 1   17   17    7 o   83.453   11.908  2892.75  784.021  2455.27  1278.47  3156.45  992.570   76.117   20.309   86.811   14.600 -10.69318 25.01234 
1 1 1   17   17    8 o  100.969   11.891  4209.25  956.137  3474.06  1515.20  4695.71  1232.52   90.263   21.059  106.296   14.671 -16.03238 25.66587 
1 1 1   17   17    9 o  209.341   13.266 17941.87  2243.24 18542.74  3314.39 17433.95  3047.25  211.826   19.489  205.533   18.456 6.292938 26.84104 
1 1 1   17   17   10 o  462.697   19.693 87871.04  7398.65 80521.79 13143.49 91280.01  8951.61  435.321   37.552  470.525   23.430 -35.20413 44.26216 
1 1 1   17   17   11 f  452.526   18.857 84081.66  6928.83 83515.48 12364.30 84340.85  8365.84  443.967   34.571  451.473   22.896 -7.505341 41.46593 
1 1 1   17   17   12 o  164.816   10.367 11114.74  1380.29  5919.02  2830.22 12736.19  1581.07  116.676   29.776  176.380   11.096 -59.70351 31.77597 
1 1 1   17   17   13 o  461.624   19.449 87952.45  7290.03 84716.46 13062.04 89416.40  8785.62  442.657   36.672  463.194   23.436 -20.53751 43.52111 
1 1 1   17   17   14 o  265.191   12.196 28798.48  2626.05 39278.87  5272.56 25341.01  3028.39  306.332   21.331  247.749   15.127 58.58292 26.15010 
1 1 1   17   17   15 o  145.606   10.631  8731.80  1248.18  6808.25  3145.93  9091.18  1359.79  122.366   31.482  148.439   11.368 -26.07248 33.47135 
1 1 1   17   17   16 o  290.150   13.126 34817.29  3092.29 48263.66  6198.85 30362.59  3567.94  334.711   22.947  269.116   16.407 65.59436 28.20920 
1 1 1   17   17   17 o   95.787   11.589  3844.23  882.997  7666.74  3003.34  3482.55  923.826  127.987   29.505   90.764   12.898 37.22285 32.20068 
1 1 1   17   17   18 o   84.121   14.303  3043.83  941.973  7612.36  3188.91  2607.10  985.971  124.845   31.468   77.144   16.254 47.70068 35.41788 
1 1 1   17   17   19 o  183.273   12.212 14107.27  1806.94 12974.08  4290.72 14351.56  1992.22  159.001   34.246  184.233   13.410 -25.23260 36.77822 
1 1 1   17   17   20 o  118.969   13.361  6072.20  1268.37  5476.82  3615.33  6155.77  1354.46   99.529   35.476  119.361   14.258 -19.83227 38.23351 
1 1 1   17   17   21 o   70.200   9.2966  2090.21  516.866  2470.00  595.064  923.307  1043.05   76.219   9.8454   49.651   18.818 26.56779 21.23759 
1 1 1   17   17   22 o  104.513   9.6197  4650.86  807.174  5758.39  981.423  2335.59  1419.00  115.853   10.549   67.848   22.281 48.00415 24.65225 
1 1 1   17   17   23 o   16.683   7.9464 -358.6497  296.802 -265.1928  310.523 -1346.5470  1009.59   18.265   8.5208   28.681   13.911 -10.41617 16.31325 
1 1 1   17   19    0 o  327.360   18.131 43910.17  4800.44   0.0000   0.0000 43910.17  4800.44  ?   ?   327.360   18.131 0.000000 18.13071 
1 1 1   17   19    1 o  230.232   14.604 21693.59  2715.97   0.0000   0.0000 21693.59  2715.97  ?   ?   230.232   14.604 0.000000 14.60410 
1 1 1   17   19    2 o  511.215   26.367 107814.10 10907.21 100492.60 15506.81 114983.30 15344.72  488.722   39.412  524.337   36.265 -35.61508 53.55807 
1 1 1   17   19    3 o   55.249   14.895  1286.48  683.401  585.337  1028.73  1840.33  914.306   47.794   18.541   65.904   16.981 -18.10945 25.14159 
1 1 1   17   19    4 o  376.207   20.120 58102.30  6123.61 57096.29  8767.26 59060.61  8556.75  370.620   29.374  377.338   28.130 -6.717407 40.67134 
1 1 1   17   19    5 o  612.363   30.846 155750.70 15287.80 156368.20 21739.97 155146.50 21502.41  606.312   44.470  604.127   44.141 2.184692 62.65733 
1 1 1   17   19    6 o  525.989   20.214 113378.70  8632.98 121213.80 15317.22 109731.10 10451.06  537.702   35.279  516.205   24.934 21.49719 43.20101 
1 1 1   17   19    7 o  350.346   14.491 50090.89  4122.33 53040.95  7537.98 48832.15  4923.87  357.528   26.147  345.047   17.634 12.48083 31.53782 
1 1 1   17   19    8 o  364.142   14.051 54120.33  4154.37 62728.09  7598.29 50449.95  4961.65  389.304   24.157  351.079   17.405 38.22427 29.77406 
1 1 1   17   19    9 o  343.043   13.352 48029.61  3719.15 58484.03  6880.82 43714.77  4420.51  376.032   22.642  326.362   16.738 49.67029 28.15660 
1 1 1   17   19   10 o  294.624   12.957 35437.18  3099.72 35061.62  5778.64 35588.89  3672.84  289.938   24.784  294.522   15.412 -4.584900 29.18539 
1 1 1   17   19   11 o  401.130   16.319 65978.01  5315.10 72163.30  9642.11 63278.13  6370.38  414.272   28.845  391.341   20.116 22.93112 35.16636 
1 1 1   17   19   12 o  280.810   13.078 32259.71  2981.82 31675.53  5670.02 32483.04  3505.76  274.161   25.773  280.953   15.427 -6.791321 30.03735 
1 1 1   17   19   13 o  226.550   11.621 21055.47  2130.45 23639.19  4544.83 20327.83  2411.86  236.253   24.026  222.202   13.431 14.05161 27.52559 
1 1 1   17   19   14 o   61.511   12.346  1608.91  595.187 -5701.3672  2509.85  2044.51  612.663   40.604   20.131   69.766   11.194 -29.16191 23.03396 
1 1 1   17   19   15 o   15.208   7.6165 -1129.4380  399.617  2664.00  1957.51 -1294.4070  408.214   79.194   26.178   14.708   7.4104 64.48628 27.20644 
1 1 1   17   19   16 o  123.996   11.118  6390.61  1107.52  8556.89  2975.72  6042.28  1193.24  136.551   27.784  120.198   12.405 16.35209 30.42735 
1 1 1   17   19   17 o   72.361   13.836  2257.38  783.312 -1482.8879  3206.86  2494.70  807.780   61.115   28.113   76.241   13.545 -15.12574 31.20593 
1 1 1   17   19   18 o   41.639   16.184  502.119  785.003  885.705  3373.99  480.166  807.154   72.452   31.313   41.688   16.353 30.76442 35.32604 
1 1 1   17   19   19 o   75.011   17.859  2546.01  1072.06  4637.16  3979.24  2382.34  1113.23   94.576   36.527   72.280   18.793 22.29609 41.07825 
1 1 1   17   19   20 o   68.857   19.322  2212.79  1124.30 -2773.1990  4414.80  2558.58  1162.63   62.799   30.111   74.002   19.188 -11.20292 35.70531 
1 1 1   17   19   21 o  105.442   17.854  5173.16  1474.04   0.0000   0.0000  5173.16  1474.04  ?   ?   105.442   17.854 0.000000 17.85425 
1 1 1   17   19   22 o   48.070   18.815  922.612  1066.74   0.0000   0.0000  922.612  1066.74  ?   ?    48.070   18.815 0.000000 18.81523 
1 1 1   17   21    0 o  236.622   21.795 23164.66  4140.36   0.0000   0.0000 23164.66  4140.36  ?   ?   236.622   21.795 0.000000 21.79483 
1 1 1   17   21    1 o  298.161   24.582 36826.22  5898.16   0.0000   0.0000 36826.22  5898.16  ?   ?   298.161   24.582 0.000000 24.58196 
1 1 1   17   21    2 o  308.383   14.548 38797.79  3642.82 36142.26  6374.50 40085.59  4439.09  294.742   26.933  312.629   17.559 -17.88684 32.15134 
1 1 1   17   21    3 o  108.483   11.431  4845.34  991.762  4663.76  1747.76  4931.57  1204.46  104.771   21.271  109.094   13.914 -4.322205 25.41778 
1 1 1   17   21    4 o  142.124   10.998  8273.87  1259.30  8298.68  2223.76  8262.16  1527.90  140.921   19.995  141.714   13.439 -0.7932281 24.09192 
1 1 1   17   21    5 o  415.929   22.291 71332.34  7500.81 68766.21 10779.35 73741.30 10444.09  404.628   33.099  420.002   30.841 -15.37402 45.24073 
1 1 1   17   21    6 o  112.500   13.302  5234.27  1191.60  5012.08  1879.86  5383.52  1540.67  108.475   22.094  113.428   17.274 -4.953568 28.04475 
1 1 1   17   21    7 o  451.932   16.757 83610.38  6149.07 94520.61 11131.47 78819.05  7376.74  475.816   28.950  437.828   20.750 37.98792 35.61823 
1 1 1   17   21    8 o  389.490   17.923 62227.73  5668.07 53542.34 10360.28 65937.90  6771.32  353.953   36.576  399.662   20.939 -45.70959 42.14556 
1 1 1   17   21    9 o  450.491   18.804 83427.10  6878.08 78499.73 12462.34 85585.43  8248.05  428.568   36.151  455.128   22.319 -26.55927 42.48539 
1 1 1   17   21   10 o  316.369   13.217 40920.10  3395.25 46291.11  6501.27 38905.85  3981.31  332.951   24.214  307.584   15.997 25.36728 29.02065 
1 1 1   17   21   11 o   27.117   11.240   73.729  405.378  1201.53  1561.34  -7.7917  419.774   61.579   23.092   26.238   11.187 35.34132 25.65875 
1 1 1   17   21   12 o  189.228   11.164 14700.17  1707.67 12856.86  3936.90 15127.35  1895.24  171.367   29.349  191.757   12.236 -20.38959 31.79790 
1 1 1   17   21   13 o  109.513   9.9485  4948.58  874.977  5283.03  2652.76  4907.75  926.845  108.343   29.404  108.935   10.613 -0.5912476 31.26043 
1 1 1   17   21   14 o  257.050   12.647 27283.83  2639.55 33622.17  5672.05 25531.76  2982.14  277.400   25.467  247.435   14.913 29.96484 29.51183 
1 1 1   17   21   15 o  170.030   11.013 11969.26  1512.29 13471.30  3775.75 11682.25  1650.46  172.065   27.987  167.598   12.212 4.467422 30.53569 
1 1 1   17   21   16 o   65.386   15.559  1869.84  814.108  3625.59  3379.53  1761.68  838.810   91.187   34.017   63.391   16.228 27.79577 37.68905 
1 1 1   17   21   17 o   42.892   16.223  598.143  774.211  2876.48  3598.71  487.577  792.775   85.351   34.187   41.585   16.236 43.76603 37.84653 
1 1 1   17   21   18 o  121.559   13.124  6299.58  1274.77  6977.94  3932.04  6219.90  1347.55  111.740   37.109  120.369   14.052 -8.629211 39.68089 
1 1 1   17   21   19 o   76.194   18.610  2681.95  1141.43  6901.94  4672.11  2414.08  1177.10  104.473   39.771   71.951   19.611 32.52219 44.34319 
1 1 1   17   21   20 o   34.042   15.762 -647.6301  1032.07   0.0000   0.0000 -647.6301  1032.07  ?   ?    34.042   15.762 0.000000 15.76190 
1 1 1   17   21   21 o   47.584   19.051  809.729  1116.90   0.0000   0.0000  809.729  1116.90  ?   ?    47.584   19.051 0.000000 19.05064 
1 1 1   17   21   22 o   58.154   24.338  1729.10  1927.22   0.0000   0.0000  1729.10  1927.22  ?   ?    58.154   24.338 0.000000 24.33848 
1 1 1   17   23    0 o  557.586   28.963 129469.20 13067.64   0.0000   0.0000 129469.20 13067.64  ?   ?   557.586   28.963 0.000000 28.96308 
1 1 1   17   23    1 o  349.706   19.978 50356.41  5649.13   0.0000   0.0000 50356.41  5649.13  ?   ?   349.706   19.978 0.000000 19.97771 
1 1 1   17   23    2 o   98.404   11.871  4003.42  929.355  4740.74  1658.39  3665.87  1122.10  105.770   20.044   93.524   15.306 12.24581 25.21970 
1 1 1   17   23    3 o  432.636   18.993 76780.89  6671.87 71402.73 11629.93 79419.18  8145.58  410.742   35.212  438.392   22.963 -27.65082 42.03794 
1 1 1   17   23    4 f  138.451   11.966  7873.16  1331.98  6557.87  2406.00  8454.42  1599.44  123.854   24.790  143.226   13.930 -19.37224 28.43537 
1 1 1   17   23    5 o  300.098   18.108 37070.30  4391.65 34936.37  6446.12 38918.70  5999.39  288.600   27.854  305.854   24.360 -17.25327 37.00341 
1 1 1   17   23    6 o  294.088   17.878 35615.10  4248.85 33766.39  6257.65 37196.41  5787.41  283.587   27.523  298.895   24.050 -15.30795 36.55006 
1 1 1   17   23    7 o  240.561   9.0596 23563.63  1769.59 27561.60  2775.83 20826.41  2296.82  259.407   13.223  225.502   12.594 33.90462 18.26077 
1 1 1   17   23    8 o  158.231   8.9476 10229.12  1144.86 11981.13  2657.74  9829.95  1268.60  169.407   19.689  154.962   10.138 14.44566 22.14564 
1 1 1   17   23    9 o  333.704   14.654 45650.43  3970.52 45900.39  7633.90 45557.73  4648.80  328.957   28.872  332.306   17.289 -3.349731 33.65299 
1 1 1   17   23   10 o   85.166   9.9512  3000.41  675.170  718.505  1875.96  3339.98  723.664   60.627   24.542   89.896   10.088 -29.26908 26.53454 
1 1 1   17   23   11 o   38.213   13.027  553.262  484.453  3361.35  2569.49  449.762  493.300   89.807   30.005   36.216   13.082 53.59081 32.73267 
1 1 1   17   23   12 o   18.221   8.9142 -846.3416  440.290  4675.09  2527.20 -1019.1800  447.129  101.934   29.097   17.371   8.5917 84.56310 30.33898 
1 1 1   17   23   13 o   24.130   11.106 -375.3291  501.446 -3121.1399  2583.06 -267.7981  511.170   48.606   23.233   25.577   11.554 23.02954 25.94698 
1 1 1   17   23   14 o   93.323   11.427  3648.08  847.816  7076.87  2860.29  3317.82  887.709  123.117   29.077   88.610   12.701 34.50648 31.72977 
1 1 1   17   23   15 f  131.688   10.998  7222.58  1165.18  814.116  4110.40  7782.54  1215.02   78.708   34.288  136.717   11.039 -58.00844 36.02088 
1 1 1   17   23   16 o  144.007   11.894  8698.15  1378.26 10846.00  4059.60  8418.32  1465.29  145.376   34.845  141.253   12.919 4.122955 37.16296 
1 1 1   17   23   17 o   66.157   17.734  1970.56  972.020  2385.15  3599.12  1937.95  1009.53   80.528   33.443   65.564   18.278 14.96368 38.11205 
1 1 1   17   23   18 o   54.348   18.656  1259.33  993.795 -633.6442  4711.75  1347.47  1016.67   71.444   33.283   55.788   18.873 15.65629 38.26130 
1 1 1   17   23   19 o   77.902   19.269  2885.24  1212.08   0.0000   0.0000  2885.24  1212.08  ?   ?    77.902   19.269 0.000000 19.26898 
1 1 1   17   23   20 o   82.283   20.390  3389.20  1355.35   0.0000   0.0000  3389.20  1355.35  ?   ?    82.283   20.390 0.000000 20.39004 
1 1 1   17   23   21 f   34.731   16.933 -1941.8540  1549.71   0.0000   0.0000 -1941.8540  1549.71  ?   ?    34.731   16.933 0.000000 16.93296 
1 1 1   17   25    0 o  534.949   41.479 123620.40 17876.00   0.0000   0.0000 123620.40 17876.00  ?   ?   534.949   41.479 0.000000 41.47899 
1 1 1   17   25    1 o  197.872   22.364 16362.63  3530.09   0.0000   0.0000 16362.63  3530.09  ?   ?   197.872   22.364 0.000000 22.36419 
1 1 1   17   25    2 o  253.343   23.865 26793.26  4851.26   0.0000   0.0000 26793.26  4851.26  ?   ?   253.343   23.865 0.000000 23.86471 
1 1 1   17   25    3 o  270.827   17.608 30230.06  3850.93 31458.81  5729.08 29217.32  5201.17  273.913   26.074  264.387   24.507 9.525421 35.78326 
1 1 1   17   25    4 o  811.633   42.728 286156.00 28059.24 283146.31 40006.39 289069.91 39364.89  776.748   64.002  788.062   62.020 -11.31378 89.12237 
1 1 1   17   25    5 o  506.604   21.808 106132.80  8970.72 98448.50 15588.55 109937.50 10969.02  475.832   40.740  512.792   26.434 -36.96069 48.56470 
1 1 1   17   25    6 f  202.368   15.936 16905.31  2597.31 15989.59  4030.92 17555.42  3396.37  194.043   26.258  205.117   20.675 -11.07414 33.42076 
1 1 1   17   25    7 o   62.914   18.078  1669.45  972.442  1176.54  1865.95  1853.24  1139.41   64.709   25.007   66.457   19.704 -1.748398 31.83716 
1 1 1   17   25    8 f  159.644   11.684 10479.58  1504.01  3609.75  3640.09 11893.81  1651.58   97.785   35.503  170.066   12.038 -72.28040 37.48822 
1 1 1   17   25    9 o   74.091   9.6930  2280.34  569.146 -439.8369  2844.16  2393.81  580.895   64.410   28.277   75.953   9.6360 -11.54220 29.87398 
1 1 1   17   25   10 o  150.072   9.4004  9246.96  1139.70 17180.08  3715.31  8422.92  1197.43  200.010   23.315  143.022   10.382 56.98828 25.52188 
1 1 1   17   25   11 o  124.308   9.5073  6367.75  952.330 11788.37  3536.87  5944.04  988.851  162.279   27.845  119.929   10.253 42.34984 29.67271 
1 1 1   17   25   12 o  118.684   10.165  5831.13  970.128  9491.79  3203.72  5461.58  1017.92  144.078   28.395  114.626   11.075 29.45231 30.47836 
1 1 1   17   25   13 o  140.085   10.852  8146.06  1224.77  6028.33  3734.41  8401.31  1296.48  110.978   36.132  142.137   11.328 -31.15835 37.86577 
1 1 1   17   25   14 o  141.428   10.919  8327.36  1244.16  8569.30  3886.95  8299.74  1313.25  129.587   35.769  140.977   11.575 -11.39018 37.59517 
1 1 1   17   25   15 o  240.211   13.243 24293.74  2572.92 26337.52  6446.82 23906.54  2806.08  226.415   36.293  237.355   14.631 -10.93939 39.13146 
1 1 1   17   25   16 o  139.880   12.772  8305.80  1434.61  7535.50  5123.99  8371.31  1494.38  111.891   41.857  140.187   13.287 -28.29604 43.91545 
1 1 1   17   25   17 f   24.993   12.137 -1248.0990  775.087  2485.17  4960.85 -1341.5129  784.724   83.230   36.906   24.727   12.054 58.50357 38.82469 
1 1 1   17   25   18 o  124.127   13.738  6739.02  1361.43   0.0000   0.0000  6739.02  1361.43  ?   ?   124.127   13.738 0.000000 13.73834 
1 1 1   17   25   19 o   89.355   16.463  3721.26  1150.40   0.0000   0.0000  3721.26  1150.40  ?   ?    89.355   16.463 0.000000 16.46261 
1 1 1   17   25   20 o   45.735   18.360  787.828  1040.42   0.0000   0.0000  787.828  1040.42  ?   ?    45.735   18.360 0.000000 18.35967 
1 1 1   17   27    0 o  258.016   18.082 27542.72  3764.23   0.0000   0.0000 27542.72  3764.23  ?   ?   258.016   18.082 0.000000 18.08196 
1 1 1   17   27    1 o  306.386   19.496 38898.14  4824.99   0.0000   0.0000 38898.14  4824.99  ?   ?   306.386   19.496 0.000000 19.49637 
1 1 1   17   27    2 o  273.052   18.846 30893.76  4152.75   0.0000   0.0000 30893.76  4152.75  ?   ?   273.052   18.846 0.000000 18.84603 
1 1 1   17   27    3 o   75.768   18.285  2460.64  1112.02  297.746  2199.31  3203.51  1288.92   61.609   25.904   86.478   18.885 -24.86863 32.05743 
1 1 1   17   27    4 o  293.218   16.222 35472.32  3847.19 36096.30  6793.53 35177.74  4667.80  290.733   29.172  290.833   19.886 -0.9988403E-01 35.30474 
1 1 1   17   27    5 o  433.220   19.787 77851.35  6960.43 83770.65 12216.50 75006.23  8469.59  438.830   34.565  422.009   24.827 16.82114 42.55747 
1 1 1   17   27    6 o  475.193   21.657 94395.06  8356.13 97301.57 14575.73 92972.15 10198.45  466.660   38.820  467.218   26.998 -0.5584106 47.28475 
1 1 1   17   27    7 o  104.563   19.372  4696.33  1584.18  6841.31  3081.49  3925.78  1846.93  123.226   30.864   94.550   24.012 28.67576 39.10489 
1 1 1   17   27    8 f  233.864   13.329 22619.30  2520.49 26216.75  5968.58 21838.53  2780.58  242.651   31.002  229.212   15.023 13.43901 34.45051 
1 1 1   17   27    9 o   96.228   9.3816  3828.27  723.698  4199.35  3060.35  3806.29  744.823   97.556   32.745   95.889   9.6997 1.666794 34.15141 
1 1 1   17   27   10 o   40.266   11.885  680.026  415.298  6206.62  2742.85  550.354  420.142  115.812   29.181   37.142   12.121 78.66994 31.59774 
1 1 1   17   27   11 o  225.714   11.875 21132.79  2168.72 30493.56  5826.16 19627.13  2336.63  259.525   28.097  216.902   13.332 42.62326 31.09931 
1 1 1   17   27   12 o  258.189   13.055 27844.26  2727.96 32227.80  6520.44 26914.20  3003.45  261.514   31.331  252.891   14.690 8.623276 34.60412 
1 1 1   17   27   13 o  224.241   12.880 21081.78  2335.39 26176.34  6013.63 20176.98  2534.30  231.523   32.916  218.524   14.363 12.99922 35.91333 
1 1 1   17   27   14 o  154.878   12.407 10107.47  1547.16  9029.32  4947.27 10224.35  1628.86  124.481   41.634  155.491   13.021 -31.01012 43.62290 
1 1 1   17   27   15 o  202.956   16.417 17921.04  2682.18  7667.31  7464.54 19441.19  2874.13  108.715   46.781  211.000   16.918 -102.2846 49.74645 
1 1 1   17   27   16 o   69.629   18.630  2246.61  1073.92  5218.06  5367.63  2122.71  1096.08   94.362   40.111   67.615   19.114 26.74675 44.43264 
1 1 1   17   27   17 o  189.523   14.442 15770.71  2205.73   0.0000   0.0000 15770.71  2205.73  ?   ?   189.523   14.442 0.000000 14.44226 
1 1 1   17   27   18 o   41.904   17.404  427.513  974.791   0.0000   0.0000  427.513  974.791  ?   ?    41.904   17.404 0.000000 17.40386 
1 1 1   17   27   19 o  114.395   15.679  6167.05  1418.00   0.0000   0.0000  6167.05  1418.00  ?   ?   114.395   15.679 0.000000 15.67874 
1 1 1   17   29    0 o  466.841   26.938 93072.84 10167.61   0.0000   0.0000 93072.84 10167.61  ?   ?   466.841   26.938 0.000000 26.93767 
1 1 1   17   29    1 o  159.817   19.158 10769.30  2436.49   0.0000   0.0000 10769.30  2436.49  ?   ?   159.817   19.158 0.000000 19.15783 
1 1 1   17   29    2 o  339.941   21.559 48643.81  5919.80   0.0000   0.0000 48643.81  5919.80  ?   ?   339.941   21.559 0.000000 21.55852 
1 1 1   17   29    3 o  282.835   20.150 33630.57  4597.35   0.0000   0.0000 33630.57  4597.35  ?   ?   282.835   20.150 0.000000 20.15049 
1 1 1   17   29    4 o  353.962   18.678 52461.25  5349.23 60669.20  9872.55 49050.15  6364.43  368.953   33.314  339.423   23.233 29.53003 40.61523 
1 1 1   17   29    5 o  302.614   17.897 38379.93  4378.00 41842.75  8113.23 36957.40  5200.07  304.779   33.328  294.667   21.890 10.11200 39.87396 
1 1 1   17   29    6 o   53.449   20.310  895.021  1217.07  992.022  2727.83  870.913  1359.93   70.780   29.232   54.947   21.317 15.83287 36.17887 
1 1 1   17   29    7 o   50.679   19.175  817.501  1081.92  2313.86  3455.22  654.838  1139.21   84.725   33.642   49.491   19.423 35.23430 38.84636 
1 1 1   17   29    8 o   35.529   10.947  519.866  347.001  2960.57  3178.19  490.420  349.088   87.040   32.881   34.764   11.021 52.27654 34.67896 
1 1 1   17   29    9 o  119.827   9.9041  5946.81  954.991  6097.73  4545.16  5939.83  976.795  111.901   39.788  119.700   10.146 -7.798416 41.06160 
1 1 1   17   29   10 o   74.994   10.781  2368.97  637.583 -3516.7129  4306.40  2500.87  644.688   64.681   30.653   77.144   10.570 -12.46317 32.42432 
1 1 1   17   29   11 o  131.085   10.365  7148.02  1094.23  7799.84  5066.53  7116.13  1120.68  119.478   42.059  130.702   10.653 -11.22460 43.38722 
1 1 1   17   29   12 o  152.765   11.569  9775.78  1424.33 12509.58  5131.27  9547.55  1482.59  149.142   41.069  150.693   12.222 -1.551422 42.84913 
1 1 1   17   29   13 f  139.830   11.780  8240.76  1325.04  9952.41  5257.91  8124.69  1369.23  127.070   42.919  138.611   12.293 -11.54082 44.64515 
1 1 1   17   29   14 o  138.077   12.523  8120.86  1388.71 15199.65  5577.21  7652.97  1433.87  155.310   42.836  133.562   13.403 21.74846 44.88422 
1 1 1   17   29   15 o   64.684   17.764  1933.15  961.495 11782.10  6218.62  1691.93  973.198  121.154   45.940   60.685   18.260 60.46856 49.43582 
1 1 1   17   29   16 o   60.154   19.683  1704.16  1107.71   0.0000   0.0000  1704.16  1107.71  ?   ?    60.154   19.683 0.000000 19.68302 
1 1 1   17   29   17 o   95.200   18.266  4370.71  1360.58   0.0000   0.0000  4370.71  1360.58  ?   ?    95.200   18.266 0.000000 18.26571 
1 1 1   17   29   18 o   71.364   25.170  3082.25  1815.31   0.0000   0.0000  3082.25  1815.31  ?   ?    71.364   25.170 0.000000 25.16986 
1 1 1   17   31    0 o   79.112   23.206  2752.09  1587.72   0.0000   0.0000  2752.09  1587.72  ?   ?    79.112   23.206 0.000000 23.20635 
1 1 1   17   31    1 o  262.393   20.747 29439.34  4384.28   0.0000   0.0000 29439.34  4384.28  ?   ?   262.393   20.747 0.000000 20.74742 
1 1 1   17   31    2 o  267.957   20.805 30735.38  4491.16   0.0000   0.0000 30735.38  4491.16  ?   ?   267.957   20.805 0.000000 20.80530 
1 1 1   17   31    3 f   53.855   21.649  674.308  1448.81   0.0000   0.0000  674.308  1448.81  ?   ?    53.855   21.649 0.000000 21.64920 
1 1 1   17   31    4 o  212.096   17.719 19084.39  3023.50 29726.72  6420.00 16051.27  3427.38  253.976   31.831  191.933   22.415 62.04330 38.93106 
1 1 1   17   31    5 o  140.580   19.137  8535.42  2127.68 13168.52  4971.10  7496.31  2354.22  162.714   38.268  129.834   23.182 32.88020 44.74199 
1 1 1   17   31    6 o  159.903   18.533 10999.34  2361.61 13101.81  4882.08 10357.08  2698.32  161.771   37.841  153.215   22.347 8.556351 43.94740 
1 1 1   17   31    7 o  135.630   19.973  8051.53  2133.71 10332.44  5141.99  7577.09  2345.15  138.960   42.009  129.995   23.063 8.964020 47.92284 
1 1 1   17   31    8 o  154.166   21.211 10506.58  2584.88  8483.59  5208.94 11167.50  2977.33  124.658   42.716  157.244   24.087 -32.58669 49.03885 
1 1 1   17   31    9 o  102.006   9.3771  4325.62  767.970  5531.87  4679.29  4292.23  778.526  104.888   39.832  101.564   9.5527 3.324265 40.96121 
1 1 1   17   31   10 o   71.033   10.304  2132.38  576.949  1855.41  5515.17  2135.44  580.132   88.236   39.030   71.072   10.357 17.16457 40.38070 
1 1 1   17   31   11 o   38.692   13.072  595.984  487.739  4304.44  5640.68  568.049  489.573   96.438   41.059   38.117   13.094 58.32139 43.09640 
1 1 1   17   31   12 o   61.026   14.982  1658.58  736.883 11363.06  6147.04  1517.09  742.235  127.268   46.147   58.314   15.435 68.95390 48.65963 
1 1 1   17   31   13 o   32.376   13.468  148.137  585.126 -483.9614  6440.31  153.398  587.556   78.527   37.293   32.504   13.507 46.02277 39.66408 
1 1 1   17   31   14 o  146.166   13.320  9284.21  1563.49   0.0000   0.0000  9284.21  1563.49  ?   ?   146.166   13.320 0.000000 13.31997 
1 1 1   17   31   15 o   40.464   16.297  469.735  822.697   0.0000   0.0000  469.735  822.697  ?   ?    40.464   16.297 0.000000 16.29708 
1 1 1   17   31   16 o   50.155   17.918  1148.71  922.783   0.0000   0.0000  1148.71  922.783  ?   ?    50.155   17.918 0.000000 17.91791 
1 1 1   17   31   17 o   49.982   21.119  966.891  1473.36   0.0000   0.0000  966.891  1473.36  ?   ?    49.982   21.119 0.000000 21.11859 
1 1 1   17   33    0 o  151.020   22.044 10105.29  2623.51   0.0000   0.0000 10105.29  2623.51  ?   ?   151.020   22.044 0.000000 22.04444 
1 1 1   17   33    1 o  187.120   21.794 15408.50  3249.30   0.0000   0.0000 15408.50  3249.30  ?   ?   187.120   21.794 0.000000 21.79441 
1 1 1   17   33    2 o  224.640   22.368 22249.54  4025.76   0.0000   0.0000 22249.54  4025.76  ?   ?   224.640   22.368 0.000000 22.36843 
1 1 1   17   33    3 o  241.316   22.457 25715.37  4349.68   0.0000   0.0000 25715.37  4349.68  ?   ?   241.316   22.457 0.000000 22.45674 
1 1 1   17   33    4 o  271.070   23.826 32826.39  5190.83   0.0000   0.0000 32826.39  5190.83  ?   ?   271.070   23.826 0.000000 23.82588 
1 1 1   17   33    5 o  317.698   21.318 44381.52  5467.43 47842.45 10952.50 43232.83  6309.86  289.390   48.315  308.673   25.401 -19.28293 54.58518 
1 1 1   17   33    6 o  192.827   20.927 16460.54  3223.94 14516.85  7261.40 16937.76  3598.00  149.928   50.439  193.738   23.342 -43.80968 55.57812 
1 1 1   17   33    7 o  251.109   22.231 28266.78  4485.80 39343.23  9122.69 24734.59  5151.63  264.385   44.046  228.268   28.409 36.11801 52.41280 
1 1 1   17   33    8 o  118.692   28.076  6896.15  2663.43  3368.69  6474.79  7614.61  2922.11   95.632   42.296  123.828   29.486 -28.19560 51.55937 
1 1 1   17   33    9 f  119.084   10.445  5948.20  999.711 11366.27  6878.95  5831.30  1010.44  126.501   48.234  117.814   10.679 8.686501 49.40158 
1 1 1   17   33   10 o   72.690   11.876  2276.21  676.730  4711.24  7279.92  2254.98  679.673   96.822   43.683   72.304   11.998 24.51765 45.30035 
1 1 1   17   33   11 o   67.942   13.089  2028.06  695.907  1606.65  7647.61  2031.58  698.806   86.413   40.922   67.986   13.134 18.42642 42.97824 
1 1 1   17   33   12 o   72.145   14.353  2330.34  811.183   0.0000   0.0000  2330.34  811.183  ?   ?    72.145   14.353 0.000000 14.35260 
1 1 1   17   33   13 o   40.087   14.741  614.176  630.405   0.0000   0.0000  614.176  630.405  ?   ?    40.087   14.741 0.000000 14.74095 
1 1 1   17   33   14 o  135.589   14.156  8276.21  1535.48   0.0000   0.0000  8276.21  1535.48  ?   ?   135.589   14.156 0.000000 14.15576 
1 1 1   17   33   15 o   49.831   18.552  1141.92  1004.27   0.0000   0.0000  1141.92  1004.27  ?   ?    49.831   18.552 0.000000 18.55236 
1 1 1   17   35    0 o   51.778   23.511 -737.8012  2149.09   0.0000   0.0000 -737.8012  2149.09  ?   ?    51.778   23.511 0.000000 23.51055 
1 1 1   17   35    1 o   64.601   27.607  714.121  2567.46   0.0000   0.0000  714.121  2567.46  ?   ?    64.601   27.607 0.000000 27.60733 
1 1 1   17   35    2 o  168.698   26.919 13484.14  3563.33   0.0000   0.0000 13484.14  3563.33  ?   ?   168.698   26.919 0.000000 26.91890 
1 1 1   17   35    3 o  110.595   32.424  6319.71  3100.23   0.0000   0.0000  6319.71  3100.23  ?   ?   110.595   32.424 0.000000 32.42385 
1 1 1   17   35    4 o   89.447   31.432  3940.76  2828.71   0.0000   0.0000  3940.76  2828.71  ?   ?    89.447   31.432 0.000000 31.43152 
1 1 1   17   35    5 o   93.221   31.881  4434.88  2901.43   0.0000   0.0000  4434.88  2901.43  ?   ?    93.221   31.881 0.000000 31.88051 
1 1 1   17   35    6 o   42.009   20.318 -2790.5691  2115.13 -13481.0303  6551.41 -1546.6130  2234.80   59.907   30.118   48.364   22.659 11.54268 37.68976 
1 1 1   17   35    7 f  188.834   26.667 17380.62  3975.02 18113.68  9344.72 17218.67  4392.21  137.864   55.136  183.398   30.571 -45.53471 63.04452 
1 1 1   17   35    8 o  110.364   32.277  6740.49  3075.50  9453.87  8445.56  6325.66  3302.23  107.529   47.892  105.208   33.954 2.321152 58.70681 
1 1 1   17   35    9 o   44.031   11.785  851.357  429.654 10513.20  7994.10  823.367  430.276  107.436   47.281   43.332   11.876 64.10365 48.74954 
1 1 1   17   35   10 o   80.694   10.913  2802.75  696.716   0.0000   0.0000  2802.75  696.716  ?   ?    80.694   10.913 0.000000 10.91343 
1 1 1   17   35   11 o   40.400   12.995  705.080  483.987   0.0000   0.0000  705.080  483.987  ?   ?    40.400   12.995 0.000000 12.99479 
1 1 1   17   35   12 o   46.242   14.653  969.671  617.111   0.0000   0.0000  969.671  617.111  ?   ?    46.242   14.653 0.000000 14.65250 
1 1 1   17   35   13 o   45.191   16.435  896.425  780.552   0.0000   0.0000  896.425  780.552  ?   ?    45.191   16.435 0.000000 16.43520 
1 1 1   17   37    0 o   95.625   32.456  5000.70  3006.84   0.0000   0.0000  5000.70  3006.84  ?   ?    95.625   32.456 0.000000 32.45567 
1 1 1   17   37    1 o   87.703   32.855  4049.43  3159.17   0.0000   0.0000  4049.43  3159.17  ?   ?    87.703   32.855 0.000000 32.85501 
1 1 1   17   37    2 o   44.150   21.409 -3060.2100  2387.19   0.0000   0.0000 -3060.2100  2387.19  ?   ?    44.150   21.409 0.000000 21.40866 
1 1 1   17   37    3 o   85.658   33.868  3812.23  3487.94   0.0000   0.0000  3812.23  3487.94  ?   ?    85.658   33.868 0.000000 33.86784 
1 1 1   17   37    4 o  206.657   32.333 23006.83  5247.62   0.0000   0.0000 23006.83  5247.62  ?   ?   206.657   32.333 0.000000 32.33319 
1 1 1   17   37    5 o  199.225   33.570 22084.48  5237.36   0.0000   0.0000 22084.48  5237.36  ?   ?   199.225   33.570 0.000000 33.56990 
1 1 1   17   37    6 o   84.400   33.897  4019.12  3548.20   0.0000   0.0000  4019.12  3548.20  ?   ?    84.400   33.897 0.000000 33.89683 
1 1 1   17   37    7 o   96.301   34.903  5989.21  3515.87  7134.15 10611.70  5848.02  3726.34   91.224   44.439   94.324   35.611 -3.099754 56.94711 
1 1 1   17   37    8 o  132.613   36.002 11501.12  3976.16   0.0000   0.0000 11501.12  3976.16  ?   ?   132.613   36.002 0.000000 36.00186 
1 1 1   17   37    9 o  112.239   10.793  5439.38  971.531   0.0000   0.0000  5439.38  971.531  ?   ?   112.239   10.793 0.000000 10.79348 
1 1 1   17   37   10 o   72.811   11.095  2337.19  635.210   0.0000   0.0000  2337.19  635.210  ?   ?    72.811   11.095 0.000000 11.09505 
1 1 1   17   37   11 o  109.702   11.826  5359.83  1036.73   0.0000   0.0000  5359.83  1036.73  ?   ?   109.702   11.826 0.000000 11.82588 
1 1 1   17   39    0 f   74.194   31.164  2815.44  3177.88   0.0000   0.0000  2815.44  3177.88  ?   ?    74.194   31.164 0.000000 31.16392 
1 1 1   17   39    1 o   97.823   35.756  6598.88  3701.22   0.0000   0.0000  6598.88  3701.22  ?   ?    97.823   35.756 0.000000 35.75639 
1 1 1   17   39    2 o   98.259   37.696  7212.41  4217.56   0.0000   0.0000  7212.41  4217.56  ?   ?    98.259   37.696 0.000000 37.69561 
1 1 1   17   39    3 o   54.150   26.236 -2597.0310  3566.43   0.0000   0.0000 -2597.0310  3566.43  ?   ?    54.150   26.236 0.000000 26.23631 
1 1 1   17   39    4 o   89.678   34.933  5743.92  3663.55   0.0000   0.0000  5743.92  3663.55  ?   ?    89.678   34.933 0.000000 34.93270 
1 1 1   17   39    5 o   59.834   28.343 -427.3468  3673.87   0.0000   0.0000 -427.3468  3673.87  ?   ?    59.834   28.343 0.000000 28.34345 
1 1 1   17   39    6 o   49.182   24.243 -3689.5249  3457.85   0.0000   0.0000 -3689.5249  3457.85  ?   ?    49.182   24.243 0.000000 24.24345 
1 1 1   17   39    7 o   40.629   20.241 -4408.8560  2662.02   0.0000   0.0000 -4408.8560  2662.02  ?   ?    40.629   20.241 0.000000 20.24068 
1 1 1   17   39    8 o   72.346   32.727  4283.65  4117.69   0.0000   0.0000  4283.65  4117.69  ?   ?    72.346   32.727 0.000000 32.72691 
1 1 1   17   41    0 f   54.228   26.382 -1283.9139  3704.69   0.0000   0.0000 -1283.9139  3704.69  ?   ?    54.228   26.382 0.000000 26.38152 
1 1 1   17   41    1 o   62.385   30.586  276.611  5267.82   0.0000   0.0000  276.611  5267.82  ?   ?    62.385   30.586 0.000000 30.58556 
1 1 1   17   41    2 o   80.638   39.146 11847.22  8042.70   0.0000   0.0000 11847.22  8042.70  ?   ?    80.638   39.146 0.000000 39.14630 
1 1 1   17   41    3 f   56.772   28.736 -5329.3701  6566.60   0.0000   0.0000 -5329.3701  6566.60  ?   ?    56.772   28.736 0.000000 28.73631 
1 1 1   17   41    4 o   57.702   29.333 -5192.6938  7360.37   0.0000   0.0000 -5192.6938  7360.37  ?   ?    57.702   29.333 0.000000 29.33290 
1 1 1   18    0    0 o  727.782   51.561 222540.80 30118.07   0.0000   0.0000 222540.80 30118.07  727.782   51.561  727.782   51.561 0.000000 0.000000 
1 1 1   18    0    1 o  688.303   48.645 198483.30 26874.70   0.0000   0.0000 198483.30 26874.70  688.303   48.645  688.303   48.645 0.000000 0.000000 
1 1 1   18    0    3 o  620.333   30.424 158105.00 15240.35 150581.59 21585.23 165583.70 21521.14  600.998   44.805  631.498   42.411 0.000000 0.000000 
1 1 1   18    0    4 o  581.984   28.237 138940.09 13271.69 145046.70 18800.57 132874.30 18737.58  591.879   39.525  565.622   41.305 0.000000 0.000000 
1 1 1   18    0    5 o  626.712   30.388 161107.09 15380.64 165134.91 21777.55 157098.41 21725.56  631.382   42.935  615.293   44.003 0.000000 0.000000 
1 1 1   18    0    6 o  571.372   27.871 133811.00 12859.99 133081.59 18214.23 134536.09 18159.44  566.923   40.027  570.157   39.667 0.000000 0.000000 
1 1 1   18    0    7 o  243.299   12.779 24241.77  2508.62 28841.04  3572.29 19766.86  3523.66  264.845   16.766  217.722   20.340 0.000000 0.000000 
1 1 1   18    0    8 o  1564.16  111.158 1046359.00 139537.50   0.0000   0.0000 1046359.00 139537.50  1564.16  111.158  1564.16  111.158 0.000000 0.000000 
1 1 1   18    0    9 o   79.631   8.1692  2655.46  515.466  3783.01  771.277  1745.28  692.954   94.864   10.323   59.756   16.513 0.000000 0.000000 
1 1 1   18    0   10 o   27.500   13.223  451.474  341.489  1664.45  608.234 -106.8877  412.669   59.325   14.582   17.109   11.329 0.000000 0.000000 
1 1 1   18    0   11 o  124.395   9.0879  6386.92  906.661  8243.11  1347.62  4851.92  1225.49  140.896   11.979  106.137   15.105 0.000000 0.000000 
1 1 1   18    0   12 o  103.967   14.365  4641.88  1146.64  4641.88  1146.64   0.0000   0.0000  103.967   14.365  103.967   14.365 0.000000 0.000000 
1 1 1   18    0   13 o  210.013   12.216 18119.96  2066.93 17819.94  2955.59 18407.12  2891.61  206.819   17.909  210.481   17.183 0.000000 0.000000 
1 1 1   18    0   14 f   66.266   11.939  1950.13  580.432  2187.11  903.647  1783.69  757.314   66.206   19.356   59.456   17.982 0.000000 0.000000 
1 1 1   18    0   15 o  352.133   18.281 51034.65  5194.73 50877.44  7404.93 51187.00  7289.34  348.980   26.483  350.251   25.959 0.000000 0.000000 
1 1 1   18    0   16 f   48.686   17.757  1286.95  646.570  2640.14  980.945  247.425  859.766   74.282   18.808   29.338   18.170 0.000000 0.000000 
1 1 1   18    0   17 o  225.350   13.281 20930.24  2410.71 21932.13  3517.91 20043.23  3310.08  228.908   19.240  218.719   18.967 0.000000 0.000000 
1 1 1   18    0   18 o  187.644   12.169 14561.25  1836.22 15954.17  2741.35 13427.74  2472.95  194.656   17.680  178.270   17.469 0.000000 0.000000 
1 1 1   18    0   19 o  289.906   16.009 34946.02  3742.05 41111.40  5535.03 29755.72  5078.51  311.500   22.141  263.086   24.247 0.000000 0.000000 
1 1 1   18    0   20 o  156.769   13.027 10309.11  1631.83 10378.11  2805.70 10273.84  2006.02  151.215   24.874  155.059   16.349 0.000000 0.000000 
1 1 1   18    0   21 o  344.323   18.085 50048.94  5024.47 62525.51  7468.73 39734.26  6790.89  379.413   24.477  297.638   28.713 0.000000 0.000000 
1 1 1   18    0   22 o  103.937   16.173  4815.74  1266.42  8030.46  2739.80  3942.27  1428.14  125.480   31.068   88.969   22.872 0.000000 0.000000 
1 1 1   18    0   23 o   45.822   21.791  1336.12  924.825  4101.06  2773.41  990.205  980.972   74.685   37.394   39.622   21.564 0.000000 0.000000 
1 1 1   18    0   24 o   50.924   30.576  1758.26  2274.55  1758.26  2274.55   0.0000   0.0000   50.924   30.576   50.924   30.576 0.000000 0.000000 
1 1 1   18    0   25 o   89.018   22.842  4181.72  1427.12   0.0000   0.0000  4181.72  1427.12   89.018   22.842   89.018   22.842 0.000000 0.000000 
1 1 1   18    2    0 o  546.609   26.782 122585.50 11886.61 118052.30 16804.57 127124.90 16815.84  531.898   39.186  552.603   37.702 -20.70538 54.37832 
1 1 1   18    2    1 o  476.925   16.536 92687.76  6403.38 94312.59  9038.54 91050.50  9073.06  480.228   23.180  471.172   23.793 9.055573 33.21750 
1 1 1   18    2    3 f  520.294   17.771 110234.10  7507.76 106815.20 10619.57 113650.30 10615.58  510.691   25.692  527.544   24.783 -16.85281 35.69678 
1 1 1   18    2    4 o  876.136   29.343 313748.31 20874.11 321370.41 29529.36 306135.31 29511.54  883.849   41.147  862.365   42.147 21.48309 58.90167 
1 1 1   18    2    5 o  705.368   23.760 202761.09 13608.04 202494.00 19253.58 203027.59 19235.77  703.558   33.703  704.496   33.627 -0.9384766 47.61005 
1 1 1   18    2    6 o  406.865   14.093 67285.42  4655.77 68156.04  6594.65 66420.27  6573.91  409.251   19.846  403.997   20.040 5.254242 28.20399 
1 1 1   18    2    7 o  707.568   23.654 203884.91 13589.55 215397.00 19229.50 192399.00 19207.57  726.262   32.609  685.283   34.632 40.97852 47.56784 
1 1 1   18    2    8 o  1127.77   43.925 522292.31 40222.36 512853.31 69667.68 527011.69 49261.96  1101.48   78.408  1129.69   53.705 -28.21021 95.03742 
1 1 1   18    2    9 o  1144.33   38.416 537742.88 35694.39 527835.81 50492.24 547640.19 50466.74  1126.95   55.180  1148.40   54.122 -21.45264 77.29178 
1 1 1   18    2   10 o  761.218   25.522 237084.20 15774.98 249783.09 22321.54 224413.41 22296.85  778.588   35.308  736.430   37.411 42.15814 51.44208 
1 1 1   18    2   11 o  678.879   23.075 188782.00 12719.58 175469.59 17999.66 202060.41 17976.76  650.215   34.214  699.622   31.645 -49.40735 46.60474 
1 1 1   18    2   12 o  604.215   24.033 149892.80 11790.58 145374.00 20476.48 152134.09 14421.26  586.285   43.321  607.080   29.256 -20.79517 52.27436 
1 1 1   18    2   13 o  178.725   7.7630 12985.82  1126.55 12872.43  1597.96 13097.86  1588.46  177.469   11.146  179.039   10.980 -1.570618 15.64566 
1 1 1   18    2   14 o  536.509   18.552 117920.00  8081.88 123510.20 11442.48 112355.00 11416.56  546.797   25.772  520.381   27.113 26.41571 37.40781 
1 1 1   18    2   15 o  563.946   19.559 130658.80  8956.25 135060.80 12678.61 126274.30 12653.52  570.146   27.387  550.131   28.425 20.01495 39.47166 
1 1 1   18    2   16 o  411.230   14.687 69212.03  4904.08 67021.18  6942.99 71393.34  6927.86  402.347   21.329  416.077   20.506 -13.72968 29.58740 
1 1 1   18    2   17 o  390.449   14.074 62506.70  4461.94 61356.55  6320.92 63649.03  6299.41  384.292   20.330  391.620   19.876 -7.327637 28.43120 
1 1 1   18    2   18 o  129.138   7.6165  6823.51  795.096  7955.36  1137.01  5740.38  1112.27  139.083   10.138  117.722   11.795 21.36105 15.55316 
1 1 1   18    2   19 o   32.104   12.526  262.944  471.604  655.421  637.283 -212.1861  701.184   42.257   14.912   31.425   13.908 10.83233 20.39103 
1 1 1   18    2   20 o   35.331   13.376  380.610  526.624  619.244  756.317  156.026  733.714   43.226   16.099   36.303   15.090 6.923306 22.06541 
1 1 1   18    2   21 o  201.268   9.7902 16721.20  1599.95 16197.45  2219.25 17288.05  2308.75  195.946   14.042  202.414   14.136 -6.467239 19.92491 
1 1 1   18    2   22 o  100.827   12.799  4337.86  1024.23  4816.92  2385.91  4229.64  1134.05   98.613   28.311   98.855   14.565 -0.2420502 31.83797 
1 1 1   18    2   23 o   72.031   21.194  2452.87  1322.48  724.910  2907.21  2903.74  1485.03   65.114   28.587   77.738   22.341 -12.62466 36.28146 
1 1 1   18    2   24 o   45.332   15.117  889.413  652.283  902.171  797.047  863.542  1135.03   46.606   16.652   49.202   19.362 -2.596642 25.53821 
1 1 1   18    2   25 o   35.926   15.043  263.781  736.778  263.781  736.778   0.0000   0.0000   35.926   15.043  ?   ?  0.000000 15.04331 
1 1 1   18    4    0 o  372.812   27.064 57241.42  8136.72   0.0000   0.0000 57241.42  8136.72  ?   ?   372.812   27.064 0.000000 27.06395 
1 1 1   18    4    1 o  523.438   18.782 111690.50  7982.55 102777.30  9752.93 129779.40 13893.86  501.477   23.952  561.539   30.588 -60.06131 38.84982 
1 1 1   18    4    2 o  327.238   11.229 43530.39  2983.67 45725.17  4228.27 41353.65  4210.87  335.190   15.536  318.308   16.348 16.88269 22.55228 
1 1 1   18    4    3 f  888.258   34.547 323582.69 24916.87 338230.50 43225.25 316293.31 30492.86  897.429   59.660  875.813   42.879 21.61584 73.47041 
1 1 1   18    4    4 o  457.520   15.602 85134.29  5795.94 84252.83  8211.15 86009.57  8182.32  454.727   22.239  459.466   21.932 -4.739044 31.23458 
1 1 1   18    4    5 o  1411.50   68.199 832821.38 78161.50 852992.62 110609.50 812702.81 110464.70  1404.73   97.581  1368.88  100.078 35.84937 139.7772 
1 1 1   18    4    6 o  1174.48   39.498 565048.88 37667.04 565030.00 53285.40 565067.81 53253.10  1169.17   56.130  1169.22   56.093 -0.5273438E-01 79.35331 
1 1 1   18    4    7 o  848.584   33.056 294121.41 22776.62 285592.50 39447.39 298386.81 27896.56  828.773   59.005  853.472   40.255 -24.69910 71.42893 
1 1 1   18    4    8 o  939.748   31.393 360751.69 23953.97 361496.41 33894.23 360008.59 33857.85  937.811   44.511  935.867   44.556 1.943420 62.98027 
1 1 1   18    4    9 o  409.603   14.053 68230.55  4673.69 68999.92  6627.71 67469.55  6591.64  411.557   19.833  406.959   19.948 4.597687 28.12992 
1 1 1   18    4   10 o  846.080   28.322 293671.81 19457.05 299836.00 27534.30 287523.41 27498.58  850.592   39.867  832.597   40.676 17.99487 56.95537 
1 1 1   18    4   11 o  409.961   16.532 68560.85  5503.23 64393.08  6747.53 76841.28  9510.85  396.171   21.052  431.409   27.292 -35.23752 34.46774 
1 1 1   18    4   12 o  305.358   12.916 37982.13  3202.35 37560.01  5621.02 38184.97  3896.54  301.691   23.122  305.522   15.761 -3.831024 27.98305 
1 1 1   18    4   13 o  223.433   8.7239 20303.34  1582.69 20179.45  2253.04 20424.02  2223.76  222.192   12.540  223.567   12.297 -1.375015 17.56321 
1 1 1   18    4   14 f   62.944   8.4778  1640.61  422.267  956.319  600.289  2310.89  594.112   48.110   14.311   74.677   10.054 -26.56635 17.48905 
1 1 1   18    4   15 o  286.641   10.827 33482.09  2520.01 32726.46  3575.03 34228.32  3552.74  282.389   15.653  288.902   15.199 -6.513367 21.81773 
1 1 1   18    4   16 o  372.627   13.322 56759.39  4030.77 58905.09  5717.77 54639.62  5683.13  378.376   18.611  363.746   19.311 14.62961 26.81948 
1 1 1   18    4   17 o  230.729   9.3785 21712.91  1757.01 21818.85  2503.21 21610.04  2466.77  230.352   13.442  229.272   13.308 1.079453 18.91519 
1 1 1   18    4   18 o   95.095   8.3138  3719.19  635.493  3796.76  945.564  3655.29  858.218   95.329   12.519   93.712   11.521 1.616371 17.01355 
1 1 1   18    4   19 o   37.650   12.683  549.244  459.116 -754.7153  660.429  1768.79  638.693   25.518   12.067   64.366   12.672 -38.84851 17.49804 
1 1 1   18    4   20 o  129.878   11.200  7018.50  1169.57  7949.48  2429.76  6737.75  1334.32  133.384   23.282  126.648   13.168 6.736023 26.74757 
1 1 1   18    4   21 o   98.521   13.634  4140.17  1061.40  9888.46  2679.47  3070.32  1155.96  147.926   23.060   83.274   17.644 64.65152 29.03625 
1 1 1   18    4   22 o   69.358   13.977  2105.13  759.930  1495.81  881.864  3862.83  1497.80   58.141   17.357   91.647   20.626 -33.50526 26.95706 
1 1 1   18    4   23 o   90.832   10.682  3506.57  772.760  3057.20  995.435  4188.12  1225.91   82.805   15.371   96.829   16.162 -14.02428 22.30443 
1 1 1   18    4   24 o   44.972   14.395  889.907  594.440  1256.99  705.664  -7.1325  1103.11   52.411   15.499   39.981   17.580 12.43026 23.43630 
1 1 1   18    4   25 o   31.424   13.764  -8.3088  670.488   90.505  806.963 -228.6167  1204.93   35.099   15.242   38.719   17.590 -3.619503 23.27464 
1 1 1   18    6    0 o  420.309   20.813 72027.85  7103.02   0.0000   0.0000 72027.85  7103.02  ?   ?   420.309   20.813 0.000000 20.81307 
1 1 1   18    6    1 o  318.382   11.756 41206.13  3039.20 48925.11  5360.46 37549.38  3689.52  346.032   19.153  303.806   14.957 42.22595 24.30115 
1 1 1   18    6    2 o  694.070   27.044 196762.80 15241.00 201768.00 26468.44 194280.00 18641.65  697.101   47.037  688.597   33.341 8.503723 57.65528 
1 1 1   18    6    3 o  639.185   20.495 166386.91 10636.60 167275.50 15036.05 165496.70 15048.79  639.898   28.939  636.462   29.120 3.436157 41.05414 
1 1 1   18    6    4 o  707.519   24.529 204036.20 14091.55 203697.50 19927.39 204375.09 19929.53  705.521   34.786  706.702   34.731 -1.181335 49.15610 
1 1 1   18    6    5 o  568.101   19.246 131315.80  8877.89 128049.90 12564.44 134572.30 12546.04  560.338   27.616  574.498   26.896 -14.16058 38.54854 
1 1 1   18    6    6 o  711.088   27.856 206170.09 16083.68 211283.00 27829.07 203605.70 19708.56  715.237   48.200  705.857   34.387 9.379150 59.20954 
1 1 1   18    6    7 o  763.416   25.305 237488.70 15685.52 243683.00 22199.41 231313.09 22165.97  771.938   35.418  751.953   36.304 19.98566 50.71898 
1 1 1   18    6    8 o  556.040   18.880 125838.50  8524.04 128582.00 12070.85 123109.40 12038.83  561.387   26.481  549.258   26.994 12.12952 37.81451 
1 1 1   18    6    9 f  539.513   18.196 118574.10  7971.19 121155.10 11291.60 116010.20 11254.41  544.456   25.542  532.703   26.019 11.75281 36.46102 
1 1 1   18    6   10 f  659.152   22.454 177719.59 12017.67 163703.09 17013.10 191678.50 16978.07  628.930   33.435  682.355   30.644 -53.42505 45.35365 
1 1 1   18    6   11 o  662.528   22.375 179856.59 12036.46 164078.80 17040.64 195566.00 17003.66  628.384   33.519  688.175   30.430 -59.79156 45.27182 
1 1 1   18    6   12 o  398.790   16.334 64926.37  5289.15 64589.24  9279.70 65088.58  6437.11  394.333   29.190  398.754   19.881 -4.420624 35.31721 
1 1 1   18    6   13 o  243.407   9.3951 24104.71  1856.84 24584.21  2641.83 23636.54  2610.40  245.195   13.319  240.395   13.427 4.800385 18.91283 
1 1 1   18    6   14 o  333.625   11.974 45372.05  3243.73 44554.16  4608.33 46175.19  4566.60  329.441   17.288  335.917   16.743 -6.475494 24.06643 
1 1 1   18    6   15 o  281.809   10.770 32366.99  2464.45 31478.40  3505.11 33235.74  3465.74  276.888   15.655  284.654   15.048 -7.765961 21.71445 
1 1 1   18    6   16 o  245.943   9.7682 24653.73  1950.68 23619.82  2781.93 25653.79  2736.02  239.769   14.355  250.076   13.525 -10.30753 19.72295 
1 1 1   18    6   17 o  171.341   8.3307 11966.28  1158.99 11875.75  1659.35 12052.53  1619.50  169.897   12.108  171.234   11.718 -1.336212 16.84997 
1 1 1   18    6   18 o   91.572   10.248  3476.69  748.884  2923.35  1727.84  3604.68  830.994   81.989   24.254   93.075   11.222 -11.08559 26.72424 
1 1 1   18    6   19 o   60.465   13.282  1571.52  634.265  666.680  1639.94  1730.68  687.788   56.238   22.880   63.424   13.752 -7.185688 26.69510 
1 1 1   18    6   20 o  112.888   9.3719  5275.60  851.277  5592.78  1078.77  4752.11  1385.90  115.666   11.645  104.859   16.848 10.80701 20.48071 
1 1 1   18    6   21 o  165.502   10.466 11390.27  1399.21 12135.71  1746.76 10055.47  2337.40  169.893   12.756  151.122   19.504 18.77084 23.30476 
1 1 1   18    6   22 f   51.436   13.609  1161.52  577.161  1572.83  716.680  402.499  973.564   59.559   14.866   43.117   17.595 16.44244 23.03493 
1 1 1   18    6   23 o  105.728   10.263  4728.41  869.959  2908.94  1166.36  7009.92  1306.08   79.117   18.489  127.613   12.776 -48.49612 22.47382 
1 1 1   18    6   24 o   48.086   14.753  1044.47  630.987  1450.26  733.809 -106.8366  1236.03   55.917   15.581   41.051   18.300 14.86629 24.03433 
1 1 1   18    6   25 o   72.233   15.202  2481.25  863.413  2513.39  1045.82  2412.47  1530.11   70.573   18.149   65.657   23.113 4.916580 29.38718 
1 1 1   18    8    0 o  990.128   69.819 414957.81 55771.33   0.0000   0.0000 414957.81 55771.33  ?   ?   990.128   69.819 0.000000 69.81882 
1 1 1   18    8    1 o  462.942   18.760 87238.20  7051.88 90658.19 12208.37 85525.73  8638.83  469.647   32.209  457.457   23.335 12.18979 39.77393 
1 1 1   18    8    2 o  1051.28   50.754 456747.31 43323.52 465607.81 61280.90 447893.81 61256.52  1049.71   72.340  1028.63   73.834 21.08301 103.3656 
1 1 1   18    8    3 o  357.689   15.021 52017.82  4362.50 47874.52  7653.90 54011.53  5309.34  341.426   27.851  364.366   17.946 -22.94037 33.13243 
1 1 1   18    8    4 o  301.160   12.419 36855.54  3036.86 41988.39  5346.11 34410.21  3690.01  320.528   20.652  290.495   15.702 30.03253 25.94321 
1 1 1   18    8    5 o  430.686   18.111 75444.62  6333.52 92830.22 10870.91 66510.89  7792.69  476.290   28.236  403.408   23.897 72.88168 36.99082 
1 1 1   18    8    6 o  1215.01   39.742 604745.88 39207.50 641491.12 55450.65 568008.31 55444.92  1246.36   54.793  1171.51   58.288 74.85681 79.99833 
1 1 1   18    8    7 o  637.870   21.688 165694.70 11232.93 178597.30 15892.45 152813.70 15879.08  661.365   29.595  610.625   32.140 50.73981 43.68990 
1 1 1   18    8    8 o  744.996   25.097 226585.00 15181.73 221021.59 21480.28 232138.00 21460.15  733.631   36.060  752.069   35.143 -18.43793 50.35209 
1 1 1   18    8    9 o  547.791   18.431 122356.90  8198.07 117598.90 11606.20 127094.70 11581.48  535.761   26.680  557.172   25.600 -21.41101 36.97503 
1 1 1   18    8   10 o   60.731   7.1288  1519.26  344.847  1491.95  416.591  1578.73  614.649   59.942   8.8232   61.137   12.793 -1.194862 15.54031 
1 1 1   18    8   11 o  455.678   14.981 84670.58  5542.85 79767.23  7857.52 89527.38  7820.15  441.181   21.935  467.653   20.595 -26.47144 30.08761 
1 1 1   18    8   12 o  113.698   7.7109  5279.29  707.649  7041.06  1366.36  4633.52  827.237  130.804   13.039  106.282   9.6924 24.52187 16.24652 
1 1 1   18    8   13 o  221.896   8.6353 20028.21  1555.84 18527.21  2216.45 21486.24  2184.50  212.783   12.889  229.344   11.770 -16.56079 17.45508 
1 1 1   18    8   14 o  185.802   8.1277 14043.46  1226.19 15458.63  1759.41 12706.88  1709.85  194.447   11.191  176.126   12.028 18.32091 16.42901 
1 1 1   18    8   15 o  434.828   15.765 77441.01  5565.92 83497.77  7901.44 71475.50  7841.71  449.772   21.636  414.952   23.369 34.81995 31.84713 
1 1 1   18    8   16 o  191.606   10.237 15017.66  1586.96 15933.30  2991.36 14659.02  1872.14  195.620   19.076  188.987   12.267 6.632858 22.67924 
1 1 1   18    8   17 o  333.035   14.569 45654.66  3939.70 45630.71  7115.86 45665.24  4730.95  326.542   27.082  331.579   17.635 -5.037964 32.31824 
1 1 1   18    8   18 o   57.864   11.906  1426.76  540.715  1548.02  688.143  1231.06  874.191   59.993   14.324   54.704   17.451 5.288799 22.57689 
1 1 1   18    8   19 o  162.742   9.8899 10922.06  1300.68 10953.22  1626.27 10866.73  2166.78  162.249   12.439  159.973   16.939 2.275528 21.01578 
1 1 1   18    8   20 o   15.954   7.9012 -887.2162  382.793 -910.9788  433.340 -802.8112  816.707   17.522   8.6266   29.083   13.648 -11.56027 16.14597 
1 1 1   18    8   21 o   23.205   10.568 -262.4023  438.338 -596.6025  517.825  582.492  823.342   22.475   10.645   43.335   16.648 -20.85983 19.76029 
1 1 1   18    8   22 o   63.385   11.902  1739.46  590.049  1661.74  723.282  1894.09  1020.24   61.153   14.739   64.568   18.506 -3.415356 23.65865 
1 1 1   18    8   23 o   92.743   10.365  3658.58  767.207  3857.43  969.320  3325.11  1255.28   94.065   13.042   84.243   18.825 9.822418 22.90171 
1 1 1   18    8   24 o   68.919   12.299  2114.22  663.017  2552.31  797.410  1133.03  1193.38   75.221   13.554   52.126   20.039 23.09532 24.19241 
1 1 1   18    8   25 o   76.774   14.692  2791.54  882.508  2564.25  1008.50  3534.58  1823.39   71.345   17.534   75.622   25.276 -4.276962 30.76213 
1 1 1   18   10    0 o  761.570   36.830 237569.20 22774.71   0.0000   0.0000 237569.20 22774.71  ?   ?   761.570   36.830 0.000000 36.83027 
1 1 1   18   10    1 o  818.537   32.093 273796.50 21329.98 291070.81 36947.58 265161.41 26122.73  837.112   54.658  804.073   40.011 33.03833 67.73795 
1 1 1   18   10    2 o  122.518   13.336  6172.82  1305.29   0.0000   0.0000  6172.82  1305.29  ?   ?   122.518   13.336 0.000000 13.33642 
1 1 1   18   10    3 o  677.610   27.318 187215.91 15030.24   0.0000   0.0000 187215.91 15030.24  ?   ?   677.610   27.318 0.000000 27.31791 
1 1 1   18   10    4 o  1160.20   45.360 552832.81 42730.89 558873.31 74142.87 549828.38 52288.38  1150.26   79.879  1153.64   55.821 -3.377075 97.45084 
1 1 1   18   10    5 o  1369.99   51.601 773823.31 57400.59 879195.62 99531.30 721312.38 70262.09  1438.94   85.574  1316.43   65.733 122.5067 107.9060 
1 1 1   18   10    6 o  761.928   30.218 237105.91 18694.65 236623.59 32498.34 237344.41 22854.71  754.602   53.385  761.179   36.979 -6.576599 64.94109 
1 1 1   18   10    7 o  483.607   16.033 95156.70  6295.55 102730.40  8905.54 87590.82  8900.96  502.016   21.848  462.779   23.768 39.23645 32.28369 
1 1 1   18   10    8 o  377.013   13.380 57829.81  4095.84 55412.02  5011.00 62696.62  7109.45  368.826   16.733  391.161   22.479 -22.33545 28.02273 
1 1 1   18   10    9 o  744.695   28.587 228105.30 17285.52 223593.59 21182.70 237097.30 29904.58  734.710   35.508  748.154   49.507 -13.44385 60.92457 
1 1 1   18   10   10 o  239.807   9.4400 23386.48  1838.11 21690.52  2604.09 25070.49  2594.90  230.297   13.992  247.773   12.943 -17.47581 19.06070 
1 1 1   18   10   11 o  160.954   7.3604 10529.52  961.931 10133.11  1353.19 10934.47  1367.68  157.439   10.648  163.603   10.349 -6.164291 14.84864 
1 1 1   18   10   12 o  379.022   15.964 58681.61  4913.12 53167.57  8684.61 61277.00  5958.23  356.764   30.265  386.826   18.970 -30.06223 35.71904 
1 1 1   18   10   13 o  310.983   13.412 39460.11  3386.69 39706.90  6073.39 39348.73  4079.90  309.265   24.384  309.759   16.278 -0.4946594 29.31813 
1 1 1   18   10   14 o  295.512   12.879 35645.36  3090.26 38271.45  5574.30 34480.17  3713.07  303.661   22.774  289.821   15.838 13.84006 27.74001 
1 1 1   18   10   15 o  334.517   17.348 46083.82  4695.82 52015.11  6865.40 40869.54  6437.07  353.190   24.083  312.334   25.607 40.85559 35.15327 
1 1 1   18   10   16 o  384.943   16.023 60963.67  5008.04 61765.38  6160.27 59401.13  8600.13  385.679   19.738  373.700   28.559 11.97891 34.71584 
1 1 1   18   10   17 o  146.954   9.3174  8860.73  1106.02  9539.17  1380.72  7645.81  1847.65  152.141   11.257  134.666   17.297 17.47485 20.63768 
1 1 1   18   10   18 o  265.563   10.391 28961.01  2240.58 31591.32  3220.23 26492.70  3119.49  275.553   14.443  251.888   15.325 23.66510 21.05859 
1 1 1   18   10   19 o   37.817   12.193  577.799  425.895 -337.6949  559.832  1835.57  656.191   26.237   11.946   65.447   12.807 -39.21071 17.51365 
1 1 1   18   10   20 o  120.366   8.6002  5985.12  834.994  5350.08  1117.15  6788.96  1256.88  112.699   12.414  127.128   12.331 -14.42921 17.49780 
1 1 1   18   10   21 o   19.974   9.1208 -210.8649  329.303   80.398  362.152 -1601.4390  791.308   25.658   10.628   23.736   11.680 1.922573 15.79197 
1 1 1   18   10   22 o  111.901   9.3239  5239.40  839.461  5284.97  1095.20  5174.49  1307.05  111.177   12.340  108.605   15.241 2.571777 19.61094 
1 1 1   18   10   23 o   21.400   9.9418 -338.5973  415.797   33.078  471.887 -1629.1949  879.329   27.771   11.851   25.313   12.427 2.458067 17.17220 
1 1 1   18   10   24 o   84.566   12.035  3167.78  803.082  3180.29  968.450  3140.24  1436.94   82.972   14.924   77.224   21.905 5.748459 26.50544 
1 1 1   18   12    0 o  442.834   22.289 80046.59  7988.87   0.0000   0.0000 80046.59  7988.87  ?   ?   442.834   22.289 0.000000 22.28939 
1 1 1   18   12    1 o  642.197   25.537 168069.41 13315.94 169294.41 23074.46 167457.70 16304.89  640.551   44.644  640.414   31.356 0.1372681 54.55531 
1 1 1   18   12    2 o  1543.13   75.155 998272.62 94167.50 1030715.00 133199.50 965856.31 133146.50  1540.11  107.184  1487.10  111.070 53.01196 154.3533 
1 1 1   18   12    3 o  677.059   32.720 187279.91 17987.71 197533.50 25473.70 177082.91 25403.38  691.862   45.601  654.288   48.156 37.57410 66.32072 
1 1 1   18   12    4 o  708.900   27.926 205020.91 16074.47 217108.50 28006.73 199082.91 19629.57  724.575   47.874  697.642   34.653 26.93262 59.09907 
1 1 1   18   12    5 o  435.214   15.552 77031.69  5495.81 99747.63  9687.92 66252.57  6673.55  494.640   24.121  402.846   20.470 91.79474 31.63619 
1 1 1   18   12    6 o  534.505   20.378 116430.00  8843.98 136197.50 15470.09 106833.10 10779.10  575.354   33.256  510.730   26.080 64.62424 42.26274 
1 1 1   18   12    7 o  420.547   16.945 72055.42  5786.12 72461.71 10170.27 71860.98  7035.75  419.106   30.086  419.621   20.650 -0.5155945 36.49111 
1 1 1   18   12    8 o  775.308   55.900 257325.00 34954.36 257325.00 34954.36   0.0000   0.0000  775.308   55.900  ?   ?  0.000000 55.90004 
1 1 1   18   12    9 o  385.626   13.349 60574.34  4179.86 63752.65  5919.61 57413.97  5902.86  395.016   18.456  374.231   19.493 20.78473 26.84446 
1 1 1   18   12   10 o  631.483   24.868 163970.09 12750.83 174005.41 22278.69 159081.50 15549.39  641.199   43.041  619.870   30.894 21.32928 52.98101 
1 1 1   18   12   11 o  753.860   30.804 235827.80 18855.68 216559.00 32870.92 245277.50 23019.55  701.284   58.254  765.123   37.053 -63.83887 69.04002 
1 1 1   18   12   12 o  483.471   19.588 95867.11  7689.54 99352.70 13547.66 94210.48  9339.78  485.905   34.563  477.432   24.172 8.472534 42.17691 
1 1 1   18   12   13 o  266.820   10.635 29003.93  2304.01 28029.35  2828.76 30924.71  3971.23  261.701   13.357  274.067   17.945 -12.36581 22.36990 
1 1 1   18   12   14 o  201.294   9.5099 16503.76  1554.34 15620.39  1918.59 18190.85  2651.42  195.260   12.162  210.186   15.648 -14.92563 19.81827 
1 1 1   18   12   15 o  182.340   8.1535 13538.49  1207.15 12971.31  1699.13 14116.53  1715.32  177.800   11.837  185.577   11.439 -7.777847 16.46143 
1 1 1   18   12   16 o   75.498   7.7748  2347.32  469.794  2057.26  636.430  2694.62  696.389   69.979   11.607   80.442   10.946 -10.46208 15.95458 
1 1 1   18   12   17 o  136.472   7.6290  7624.83  841.997  7054.87  1176.49  8223.33  1205.57  130.613   11.202  141.215   10.591 -10.60175 15.41605 
1 1 1   18   12   18 f  231.168   9.6227 21935.42  1806.19 24419.84  2589.42 19581.22  2520.65  242.403   13.206  216.497   14.422 25.90543 19.55449 
1 1 1   18   12   19 o  156.597   8.7612 10100.84  1109.53 11527.34  1559.91  8640.16  1578.49  166.446   11.615  143.267   13.738 23.17877 17.98984 
1 1 1   18   12   20 o  111.946   8.3598  5181.73  754.391  4343.51  973.798  6439.82  1193.01  101.409   12.063  123.746   12.025 -22.33803 17.03310 
1 1 1   18   12   21 o   69.092   10.082  2023.03  548.962  1974.30  629.097  2178.58  1124.00   67.715   11.875   69.120   19.292 -1.405167 22.65386 
1 1 1   18   12   22 o  101.495   8.9285  4315.25  728.318  3697.44  922.922  5335.09  1185.78   92.465   12.622  110.917   13.441 -18.45132 18.43864 
1 1 1   18   12   23 o   77.048   11.136  2578.27  676.451  3337.88  821.097  973.636  1193.40   87.479   11.866   50.813   19.898 36.66518 23.16722 
1 1 1   18   12   24 o  107.791   10.193  5038.17  881.526  6470.69  1115.94  2660.77  1437.62  121.267   11.470   69.737   22.392 51.53004 25.15898 
1 1 1   18   14    0 o  901.871   43.644 334297.91 31960.30   0.0000   0.0000 334297.91 31960.30  ?   ?   901.871   43.644 0.000000 43.64434 
1 1 1   18   14    1 o  430.782   17.879 75498.21  6253.69 73339.83 10858.30 76569.51  7649.82  422.435   31.892  433.060   21.825 -10.62466 38.64486 
1 1 1   18   14    2 o  303.507   13.488 37444.70  3323.95 47169.77  5752.98 32571.33  4072.50  339.705   20.959  282.374   17.854 57.33041 27.53306 
1 1 1   18   14    3 o  856.700   41.179 301798.50 28644.29 326665.31 40558.84 277053.31 40459.62  884.572   56.769  812.254   61.811 72.31824 83.92437 
1 1 1   18   14    4 o  471.078   23.431 90535.38  8962.23 95000.57 12730.13 86147.41 12619.60  480.339   32.837  457.012   34.257 23.32697 47.45306 
1 1 1   18   14    5 o  1101.96   40.751 502059.19 36461.84 567095.38 63362.91 469861.59 44583.06  1150.97   68.104  1060.16   51.792 90.80774 85.55977 
1 1 1   18   14    6 o  436.353   20.190 77738.70  7153.53 89317.59 10354.80 67167.10  9894.16  465.817   27.499  403.055   30.458 62.76273 41.03483 
1 1 1   18   14    7 o  377.518   19.228 58371.38  5874.48 64741.80  8395.32 52259.94  8222.90  396.190   26.246  355.186   28.759 41.00470 38.93499 
1 1 1   18   14    8 o  700.089   26.398 201625.80 15006.08 229447.80 26194.86 188035.41 18307.90  737.147   43.965  673.400   33.483 63.74640 55.26319 
1 1 1   18   14    9 o  895.455   36.844 334759.09 26788.29 312665.41 46618.18 345651.00 32732.03  834.564   69.425  904.138   44.586 -69.57324 82.50919 
1 1 1   18   14   10 o  452.473   22.497 84093.55  8265.41 90481.30 11842.63 78026.73 11541.31  465.768   31.499  431.744   33.176 34.02399 45.74781 
1 1 1   18   14   11 o  479.638   24.178 95057.47  9385.93 98238.59 13446.87 92035.09 13107.07  483.318   34.491  467.605   34.770 15.71249 48.97563 
1 1 1   18   14   12 f  507.434   21.903 106038.60  9024.40 109511.80 11059.33 99117.54 15611.70  513.302   26.626  481.079   40.339 32.22253 48.33410 
1 1 1   18   14   13 o  161.267   8.3773 10612.44  1093.18 12148.39  1522.98  8980.06  1570.07  172.284   10.944  147.698   13.232 24.58585 17.17150 
1 1 1   18   14   14 o  350.523   12.947 50229.55  3684.92 48431.96  5230.54 52000.89  5192.20  342.361   18.889  355.046   18.070 -12.68475 26.14054 
1 1 1   18   14   15 o  271.409   11.062 30109.06  2437.75 31210.28  3459.96 29023.56  3435.17  275.001   15.559  265.025   16.039 9.976318 22.34565 
1 1 1   18   14   16 o  302.025   11.435 37420.66  2804.22 38439.92  3998.05 36433.67  3934.24  304.106   16.250  295.962   16.436 8.144043 23.11313 
1 1 1   18   14   17 f   56.008   9.1015  1317.08  399.694  917.888  476.754  2261.34  733.240   46.367   12.416   72.965   12.845 -26.59853 17.86496 
1 1 1   18   14   18 o  115.173   7.9365  5456.30  737.661  6004.72  978.333  4733.73  1122.98  120.380   10.102  105.936   13.352 14.44477 16.74327 
1 1 1   18   14   19 o   74.708   9.1300  2330.24  542.304  2262.15  637.347  2508.85  1032.25   73.122   11.082   75.360   17.243 -2.237946 20.49706 
1 1 1   18   14   20 o   84.770   8.7159  2993.41  591.370  3513.26  690.753  1566.63  1144.35   91.725   9.4078   60.348   20.019 31.37613 22.11895 
1 1 1   18   14   21 o   78.286   9.2994  2578.52  579.565  2496.79  681.868  2791.26  1100.09   76.382   11.339   78.356   17.708 -1.974121 21.02670 
1 1 1   18   14   22 f   96.214   9.6180  3914.84  741.310  3585.64  880.869  4713.94  1372.41   90.931   12.242  101.577   17.257 -10.64620 21.15825 
1 1 1   18   14   23 o   54.270   11.300  1309.47  481.739  1668.34  530.714 -370.1436  1148.15   61.546   11.025   37.466   17.078 24.07965 20.32783 
1 1 1   18   14   24 o   54.997   14.236  1443.03  640.641  1443.03  640.641   0.0000   0.0000   54.997   14.236  ?   ?  0.000000 14.23567 
1 1 1   18   16    0 o  599.304   29.561 147072.91 14384.85   0.0000   0.0000 147072.91 14384.85  ?   ?   599.304   29.561 0.000000 29.56107 
1 1 1   18   16    1 o  510.721   20.815 106366.90  8631.55 105069.20 15003.18 107009.00 10552.89  503.911   36.925  511.706   25.399 -7.794983 44.81725 
1 1 1   18   16    2 o  317.661   14.208 41059.09  3664.66 44714.92  6354.31 39237.15  4485.82  329.985   23.877  309.818   17.908 20.16684 29.84654 
1 1 1   18   16    3 o  766.145   37.736 242549.30 23475.23 233499.59 33266.48 251526.00 33131.91  742.325   55.596  771.934   53.185 -29.60846 76.93806 
1 1 1   18   16    4 o  583.278   42.029 142299.80 19771.66 142299.80 19771.66   0.0000   0.0000  583.278   42.029  ?   ?  0.000000 42.02906 
1 1 1   18   16    5 o  231.954   10.816 21885.49  2037.15 31543.17  3184.74 15197.42  2650.26  277.918   14.160  192.254   17.158 85.66426 22.24624 
1 1 1   18   16    6 o  121.286   10.741  6031.64  1046.81  6837.18  1570.44  5387.56  1404.27  128.591   15.344  113.896   15.594 14.69543 21.87729 
1 1 1   18   16    7 o  648.216   32.123 174097.80 16907.23 175390.59 24031.92 172830.80 23790.77  642.179   46.401  637.530   46.274 4.648743 65.53134 
1 1 1   18   16    8 f  138.476   11.459  7860.12  1276.81  7790.98  1944.19  7912.56  1693.11  136.914   17.918  138.422   15.321 -1.507309 23.57550 
1 1 1   18   16    9 o  126.127   11.729  6534.90  1187.44  3361.83  1836.32  8815.23  1556.71   89.006   24.593  146.459   13.233 -57.45340 27.92695 
1 1 1   18   16   10 o  195.124   10.343 15544.18  1632.86 13416.49  3131.71 16338.55  1913.55  179.357   21.963  199.891   11.843 -20.53418 24.95259 
1 1 1   18   16   11 o  503.499   19.958 104150.60  8159.33 112673.90 14463.57 100171.90  9881.88  516.541   34.686  491.609   24.836 24.93143 42.66147 
1 1 1   18   16   12 o   76.348   10.704  2421.63  645.344  1682.06  1349.03  2641.10  734.885   65.474   21.736   79.631   11.716 -14.15734 24.69239 
1 1 1   18   16   13 o  121.979   9.6399  6100.55  946.977  4867.88  1946.29  6482.88  1083.93  106.376   23.188  125.623   10.729 -19.24701 25.54983 
1 1 1   18   16   14 o  293.940   13.243 35395.72  3160.77 37958.86  5918.98 34373.23  3738.44  300.243   24.493  288.638   16.014 11.60516 29.26342 
1 1 1   18   16   15 o  473.020   19.081 93254.79  7328.70 112467.10 13218.94 84728.93  8805.94  506.569   32.306  446.666   24.372 59.90326 40.46877 
1 1 1   18   16   16 o  186.846   10.880 14387.45  1643.44 17025.48  3579.41 13682.78  1849.96  198.718   22.585  181.731   12.615 16.98683 25.86936 
1 1 1   18   16   17 o  171.392   11.052 12156.71  1529.83 17716.41  3723.37 11027.51  1678.02  201.132   23.226  162.669   12.808 38.46373 26.52346 
1 1 1   18   16   18 o   98.758   8.3370  4029.86  662.278  4493.09  822.553  3176.11  1116.69  103.973   9.8612   85.296   16.722 18.67711 19.41270 
1 1 1   18   16   19 o  173.677   8.8818 12461.65  1248.33 13128.55  1702.26 11685.72  1836.15  177.074   11.909  166.183   13.731 10.89104 18.17546 
1 1 1   18   16   20 o  120.943   8.5040  6069.30  829.794  6407.08  1051.47  5511.60  1351.09  123.562   10.582  112.620   15.160 10.94243 18.48831 
1 1 1   18   16   21 o  169.954   9.3711 12076.86  1288.19 11760.94  1777.57 12426.29  1869.46  165.272   13.360  169.672   13.686 -4.399857 19.12610 
1 1 1   18   16   22 o   20.776   9.2378 -98.1498  312.895   80.680  332.392 -1489.7560  927.234   24.484   10.165   26.899   13.111 -2.415642 16.59012 
1 1 1   18   16   23 o   61.235   10.827  1661.51  518.613  1504.77  569.671  2420.19  1253.32   57.433   12.565   67.928   20.784 -10.49489 24.28710 
1 1 1   18   18    0 o  402.970   30.300 67278.09  9841.43   0.0000   0.0000 67278.09  9841.43  ?   ?   402.970   30.300 0.000000 30.29967 
1 1 1   18   18    1 o  794.377   39.428 262862.19 25431.30 262939.91 35997.94 262784.69 35932.75  781.962   57.091  781.801   56.998 0.1614990 80.67280 
1 1 1   18   18    2 o  623.172   25.157 159408.20 12729.30 150243.80 22065.74 163979.20 15583.81  595.839   45.964  630.441   30.443 -34.60175 55.13165 
1 1 1   18   18    3 o  247.243   14.838 25006.84  2964.94 23281.20  4275.47 26605.56  4115.24  237.336   22.453  254.272   20.096 -16.93640 30.13288 
1 1 1   18   18    4 o  479.565   24.730 94717.35  9597.02 89677.73 13674.34 99609.20 13472.39  462.651   36.702  488.721   34.165 -26.07040 50.14324 
1 1 1   18   18    5 o  534.527   27.291 118040.50 11805.42 112422.00 16798.22 123523.50 16594.41  516.336   40.389  542.540   37.908 -26.20465 55.39230 
1 1 1   18   18    6 f  148.990   12.134  9099.96  1455.13  8269.77  2181.61  9765.30  1953.03  140.822   19.612  153.874   15.859 -13.05133 25.22170 
1 1 1   18   18    7 o  490.574   20.844 98684.61  8302.71 90110.69 14735.71 102672.60 10049.81  461.279   39.731  499.364   24.786 -38.08502 46.82808 
1 1 1   18   18    8 o  577.579   23.943 137385.70 11228.46 135500.50 19807.67 138278.41 13630.01  562.933   43.677  576.772   29.199 -13.83875 52.53819 
1 1 1   18   18    9 o  482.557   18.814 95465.53  7371.61 107601.30 13127.21 89876.06  8908.92  506.717   32.071  466.350   23.604 40.36691 39.82111 
1 1 1   18   18   10 f  149.889   9.3987  9181.67  1138.08  5613.19  2397.35 10219.84  1293.08  114.153   26.392  158.089   10.127 -43.93578 28.26827 
1 1 1   18   18   11 o  343.773   14.859 48348.05  4147.55 50122.86  7610.09 47598.13  4946.80  345.910   27.317  340.037   17.981 5.873016 32.70378 
1 1 1   18   18   12 o  143.328   9.6042  8408.44  1111.24  6745.50  2325.36  8900.59  1265.04  125.543   23.680  147.349   10.645 -21.80645 25.96289 
1 1 1   18   18   13 o  236.440   12.503 22939.76  2391.76 15481.43  4602.17 25699.60  2799.52  188.531   31.152  250.004   13.845 -61.47327 34.08979 
1 1 1   18   18   14 o  179.808   10.670 13276.47  1550.84 19753.66  3646.78 11846.47  1713.51  216.313   21.029  169.434   12.544 46.87834 24.48608 
1 1 1   18   18   15 o   64.904   13.756  1804.52  702.404  5484.38  2213.75  1392.58  740.676  110.935   25.156   56.990   15.566 53.94518 29.58247 
1 1 1   18   18   16 o  246.432   12.270 25101.17  2455.21 31853.60  5093.58 23057.43  2802.24  270.519   23.420  234.827   14.772 35.69153 27.68976 
1 1 1   18   18   17 o   89.418   13.761  3406.90  967.101  2101.81  2703.91  3598.35  1035.61   76.982   30.004   91.761   14.371 -14.77876 33.26838 
1 1 1   18   18   18 o   85.858   14.434  3179.18  970.523  1294.25  3442.35  3341.95  1011.56   75.614   32.131   87.996   14.674 -12.38229 35.32362 
1 1 1   18   18   19 o  207.550   12.829 18188.04  2151.41 20799.84  5445.15 17704.89  2341.96  200.225   34.753  203.864   14.238 -3.638901 37.55673 
1 1 1   18   18   20 o   56.683   18.708  1411.19  999.887  6844.81  4126.23  1072.22  1030.60  106.402   37.902   51.962   18.887 54.44043 42.34738 
1 1 1   18   18   21 o   81.268   20.338  3190.84  1338.83   0.0000   0.0000  3190.84  1338.83  ?   ?    81.268   20.338 0.000000 20.33805 
1 1 1   18   18   22 o   72.839   21.048  2724.50  1314.85   0.0000   0.0000  2724.50  1314.85  ?   ?    72.839   21.048 0.000000 21.04755 
1 1 1   18   18   23 o   27.659   13.818 -2803.6890  1278.05   0.0000   0.0000 -2803.6890  1278.05  ?   ?    27.659   13.818 0.000000 13.81756 
1 1 1   18   20    0 o  674.400   49.575 195088.41 26956.24   0.0000   0.0000 195088.41 26956.24  ?   ?   674.400   49.575 0.000000 49.57450 
1 1 1   18   20    1 o  458.336   34.244 87845.86 12651.84   0.0000   0.0000 87845.86 12651.84  ?   ?   458.336   34.244 0.000000 34.24360 
1 1 1   18   20    2 o  369.060   20.312 55949.66  6063.26 50593.43  8674.58 61066.23  8478.29  348.157   31.010  383.839   27.383 -35.68143 41.36977 
1 1 1   18   20    3 o  431.187   18.775 76065.09  6573.32 74917.41 11407.09 76635.66  8042.98  423.180   33.471  431.371   23.046 -8.191071 40.63802 
1 1 1   18   20    4 o  288.576   16.812 34139.13  3922.26 32463.15  5692.29 35654.19  5412.13  279.644   25.345  293.749   22.871 -14.10419 34.13873 
1 1 1   18   20    5 o  406.191   21.562 67910.60  7085.96 67618.16 10161.75 68187.38  9886.05  402.284   31.358  404.346   30.332 -2.062225 43.62742 
1 1 1   18   20    6 o   57.528   15.829  1393.76  762.593  2312.22  1253.00  853.404  961.089   73.924   20.269   50.317   18.247 23.60728 27.27219 
1 1 1   18   20    7 o  207.462   10.948 17579.46  1837.65 13547.32  3626.88 18972.11  2131.50  179.358   25.634  215.389   12.238 -36.03178 28.40514 
1 1 1   18   20    8 o  250.649   11.698 25609.85  2380.85 25711.72  4632.35 25573.28  2775.49  248.639   23.214  249.907   13.731 -1.267731 26.97055 
1 1 1   18   20    9 o  383.054   15.996 60070.23  4975.31 61862.38  9125.33 59312.13  5935.05  383.875   29.502  379.430   19.328 4.445374 35.27004 
1 1 1   18   20   10 o   82.769   9.5545  2827.35  630.323  3627.66  1759.65  2709.55  675.124   91.871   23.496   80.858   10.533 11.01359 25.74872 
1 1 1   18   20   11 o  131.908   9.8515  7132.26  1047.53  4020.71  2455.31  7824.65  1158.23   97.048   28.959  138.124   10.404 -41.07535 30.77123 
1 1 1   18   20   12 o  175.260   9.5170 12566.87  1349.23 16356.77  2851.80 11473.89  1531.48  198.266   17.908  167.161   11.351 31.10454 21.20217 
1 1 1   18   20   13 o   97.096   10.279  3898.75  798.070  3845.19  2424.74  3905.26  845.160   94.080   28.929   97.067   10.913 -2.986984 30.91912 
1 1 1   18   20   14 o  148.705   10.297  9110.25  1235.62  6804.81  3146.09  9530.72  1343.58  121.573   31.585  151.969   10.962 -30.39505 33.43325 
1 1 1   18   20   15 o   65.478   13.445  1839.81  690.870  2706.48  2951.21  1789.56  710.615   84.158   31.710   64.459   13.980 19.69935 34.65526 
1 1 1   18   20   16 o  228.886   12.786 21832.36  2366.84 21335.66  5405.61 21950.17  2632.61  212.446   32.359  228.801   14.241 -16.35451 35.35437 
1 1 1   18   20   17 o   32.119   13.997 -92.0841  685.541 -1824.2620  3312.14 -14.5561  700.714   60.450   28.076   33.362   14.344 27.08781 31.52765 
1 1 1   18   20   18 o  167.045   12.272 11746.51  1652.89 16753.80  4340.41 10897.19  1787.58  185.299   29.863  160.064   13.892 25.23537 32.93626 
1 1 1   18   20   19 o   44.460   17.862  516.219  985.575 -314.8670  4184.59  565.028  1014.10   70.147   32.211   45.437   18.166 24.70980 36.98027 
1 1 1   18   20   20 o   38.286   16.939 -134.7659  1039.30   0.0000   0.0000 -134.7659  1039.30  ?   ?    38.286   16.939 0.000000 16.93871 
1 1 1   18   20   21 o   93.366   19.726  4253.58  1448.59   0.0000   0.0000  4253.58  1448.59  ?   ?    93.366   19.726 0.000000 19.72609 
1 1 1   18   20   22 o   88.068   20.300  4030.14  1421.83   0.0000   0.0000  4030.14  1421.83  ?   ?    88.068   20.300 0.000000 20.29952 
1 1 1   18   22    0 o  972.819   50.012 409360.31 39370.38   0.0000   0.0000 409360.31 39370.38  ?   ?   972.819   50.012 0.000000 50.01159 
1 1 1   18   22    1 o  594.902   30.611 147450.09 14736.22   0.0000   0.0000 147450.09 14736.22  ?   ?   594.902   30.611 0.000000 30.61096 
1 1 1   18   22    2 o  297.006   14.420 36004.32  3477.46 39791.57  6138.95 34214.90  4219.76  309.737   24.613  288.538   18.103 21.19885 30.55334 
1 1 1   18   22    3 o  388.491   17.261 61754.86  5444.96 61692.04  9493.90 61785.66  6646.77  383.932   30.712  387.258   21.219 -3.325897 37.32903 
1 1 1   18   22    4 o  237.897   12.979 23150.47  2497.54 25738.54  4388.86 21910.97  3037.29  249.232   21.910  230.911   16.304 18.32030 27.31088 
1 1 1   18   22    5 o  196.662   14.246 15874.81  2259.44 17095.79  3389.14 14898.01  3031.38  202.907   20.868  189.454   20.009 13.45222 28.91088 
1 1 1   18   22    6 f  206.051   14.586 17434.44  2424.58 17776.48  3644.24 17162.80  3247.66  206.594   22.066  203.437   19.916 3.157013 29.72476 
1 1 1   18   22    7 o  157.240   7.6446 10057.02  976.009 18091.90  2269.79  8234.37  1081.06  210.062   13.377  141.898   9.4366 68.16475 16.37071 
1 1 1   18   22    8 o  226.981   11.324 21012.66  2087.09 21274.26  4225.53 20928.24  2400.32  225.569   23.412  225.971   13.139 -0.4023743 26.84669 
1 1 1   18   22    9 o  237.133   10.783 22935.65  2076.26 28077.83  4305.66 21377.63  2370.03  260.020   20.561  228.363   12.834 31.65620 24.23789 
1 1 1   18   22   10 o  157.344   10.033 10139.05  1275.11  6441.51  2863.14 11053.87  1424.15  121.199   29.396  164.216   10.740 -43.01691 31.29644 
1 1 1   18   22   11 o  186.350   9.6796 14214.18  1459.57 26049.92  3466.27 11663.33  1609.19  250.581   17.139  168.391   11.845 82.19048 20.83385 
1 1 1   18   22   12 f  208.589   11.296 17890.62  1906.12 21655.96  4405.81 17023.55  2114.23  224.590   24.560  203.067   12.889 21.52377 27.73701 
1 1 1   18   22   13 f  210.128   11.616 18219.78  1974.20 17561.37  4625.66 18366.42  2183.00  197.855   29.711  210.603   12.827 -12.74873 32.36167 
1 1 1   18   22   14 o  138.139   10.676  7898.87  1188.21 14115.08  3741.42  7201.59  1253.08  177.435   26.805  131.564   11.858 45.87187 29.31038 
1 1 1   18   22   15 o  105.393   11.616  4649.73  977.532  4434.83  3621.41  4666.62  1015.22   98.417   35.460  105.461   12.073 -7.044266 37.45907 
1 1 1   18   22   16 o  108.632   11.761  4958.36  1020.81  4265.13  3396.83  5027.19  1070.28   95.122   34.333  109.229   12.280 -14.10744 36.46289 
1 1 1   18   22   17 o   79.332   16.237  2780.36  1010.70  8844.56  3443.48  2208.70  1057.26  131.689   32.421   70.055   18.363 61.63387 37.26016 
1 1 1   18   22   18 o  117.172   13.975  5920.76  1303.37 -1257.3669  4931.88  6459.72  1351.41   71.907   33.679  122.521   13.826 -50.61415 36.40687 
1 1 1   18   22   19 o   47.540   18.701  733.524  1058.43   0.0000   0.0000  733.524  1058.43  ?   ?    47.540   18.701 0.000000 18.70108 
1 1 1   18   22   20 o   61.801   20.788  1838.27  1233.49   0.0000   0.0000  1838.27  1233.49  ?   ?    61.801   20.788 0.000000 20.78843 
1 1 1   18   22   21 o   61.489   20.348  1937.81  1182.64   0.0000   0.0000  1937.81  1182.64  ?   ?    61.489   20.348 0.000000 20.34837 
1 1 1   18   24    0 o  210.285   15.277 18175.90  2590.60   0.0000   0.0000 18175.90  2590.60  ?   ?   210.285   15.277 0.000000 15.27676 
1 1 1   18   24    1 o  149.561   14.760  9229.86  1769.02   0.0000   0.0000  9229.86  1769.02  ?   ?   149.561   14.760 0.000000 14.75967 
1 1 1   18   24    2 o  388.031   22.110 62263.68  6937.35   0.0000   0.0000 62263.68  6937.35  ?   ?   388.031   22.110 0.000000 22.11009 
1 1 1   18   24    3 o  176.118   15.482 12785.87  2191.53   0.0000   0.0000 12785.87  2191.53  ?   ?   176.118   15.482 0.000000 15.48243 
1 1 1   18   24    4 o  500.108   21.638 103140.20  8786.47 102492.80 15308.99 103458.30 10729.65  488.849   38.890  498.243   26.618 -9.393646 47.12720 
1 1 1   18   24    5 o  644.437   33.503 175703.59 17470.29 176950.91 25005.19 174514.09 24418.71  632.396   49.082  628.940   48.183 3.456482 68.77914 
1 1 1   18   24    6 o  528.966   28.771 117440.80 12310.57 106481.00 17711.88 127683.50 17122.61  492.329   44.797  544.304   39.001 -51.97479 59.39583 
1 1 1   18   24    7 o  430.912   17.778 76364.27  6220.32 81774.73 11523.81 74139.71  7389.26  438.272   32.616  422.784   21.597 15.48737 39.11854 
1 1 1   18   24    8 o  316.579   15.182 41126.27  3902.57 39445.40  7518.66 41746.12  4565.79  303.644   30.927  317.860   17.762 -14.21674 35.66479 
1 1 1   18   24    9 o  184.595   10.695 13968.01  1596.20 14650.30  3708.07 13812.83  1768.43  185.157   25.329  183.346   11.944 1.811035 28.00353 
1 1 1   18   24   10 o  211.975   11.739 18473.61  2012.66 18365.24  4791.90 18496.83  2217.76  204.725   29.693  211.821   12.957 -7.095703 32.39725 
1 1 1   18   24   11 o  213.752   10.583 18733.20  1836.81 29048.13  4588.88 16765.24  2004.39  261.240   21.834  201.505   12.310 59.73480 25.06473 
1 1 1   18   24   12 o   87.443   11.039  3192.86  766.291  3542.13  2729.94  3162.99  798.389   90.582   30.924   86.901   11.605 3.680130 33.02999 
1 1 1   18   24   13 o   48.853   14.892  1003.14  644.213  6406.48  2579.51  643.704  665.295  118.013   27.439   42.346   15.205 75.66711 31.37039 
1 1 1   18   24   14 o  101.120   11.299  4280.21  911.855  6406.23  3111.85  4080.52  953.719  114.897   32.111   98.462   12.190 16.43536 34.34717 
1 1 1   18   24   15 o  256.102   13.860 27605.96  2871.34 24578.39  6726.64 28280.53  3175.15  216.531   39.723  258.295   15.207 -41.76398 42.53462 
1 1 1   18   24   16 o   41.105   15.714  530.644  731.278 -7286.8750  4212.40  773.565  742.553   53.533   26.457   45.106   16.078 8.427299 30.95938 
1 1 1   18   24   17 o   84.560   16.497  3191.67  1092.02 -3695.0950  4946.56  3544.51  1119.65   65.585   31.557   89.444   16.004 -23.85927 35.38373 
1 1 1   18   24   18 o  126.197   14.231  6950.35  1432.77   0.0000   0.0000  6950.35  1432.77  ?   ?   126.197   14.231 0.000000 14.23109 
1 1 1   18   24   19 o  102.966   15.327  4788.31  1242.37   0.0000   0.0000  4788.31  1242.37  ?   ?   102.966   15.327 0.000000 15.32728 
1 1 1   18   24   20 o   37.361   16.672 -90.7180  1028.78   0.0000   0.0000 -90.7180  1028.78  ?   ?    37.361   16.672 0.000000 16.67186 
1 1 1   18   26    0 o  394.091   32.725 66058.74 10376.87   0.0000   0.0000 66058.74 10376.87  ?   ?   394.091   32.725 0.000000 32.72486 
1 1 1   18   26    1 o  190.943   22.487 15286.98  3419.48   0.0000   0.0000 15286.98  3419.48  ?   ?   190.943   22.487 0.000000 22.48668 
1 1 1   18   26    2 o  352.465   29.613 52507.20  8396.48   0.0000   0.0000 52507.20  8396.48  ?   ?   352.465   29.613 0.000000 29.61328 
1 1 1   18   26    3 o  106.977   15.197  4780.69  1282.90  4633.87  2389.09  4840.18  1520.76  103.440   27.834  107.051   18.144 -3.610291 33.22502 
1 1 1   18   26    4 o  153.495   14.048  9724.71  1731.37 12720.63  3096.58  8362.17  2088.29  173.792   22.470  141.298   18.658 32.49373 29.20679 
1 1 1   18   26    5 o  268.310   15.353 29638.96  3330.83 31866.58  5878.91 28585.81  4042.22  274.497   26.715  262.484   19.097 12.01334 32.83904 
1 1 1   18   26    6 o  406.987   19.442 68557.43  6424.93 62867.48 11133.26 71398.61  7867.15  379.230   36.611  412.877   23.565 -33.64752 43.53940 
1 1 1   18   26    7 o  345.698   20.644 49914.95  5768.15 56476.58  8785.36 44943.15  7647.33  362.229   30.144  323.322   29.453 38.90717 42.14407 
1 1 1   18   26    8 o  403.497   16.654 67415.59  5456.33 76365.76 10638.82 64221.13  6355.90  418.052   31.575  391.638   20.055 26.41327 37.40526 
1 1 1   18   26    9 f  246.557   11.308 24953.81  2263.80 32965.11  5439.54 23275.57  2489.65  276.957   24.439  237.376   12.966 39.58185 27.66581 
1 1 1   18   26   10 o  164.993   10.543 11222.82  1405.02 12103.85  3935.28 11094.11  1504.16  162.785   30.903  163.835   11.378 -1.050232 32.93125 
1 1 1   18   26   11 o  185.405   10.961 14204.38  1642.75 21263.48  4783.57 13260.56  1749.13  217.799   27.674  178.766   12.122 39.03244 30.21264 
1 1 1   18   26   12 o   38.456   13.838  525.725  551.345  1283.59  2855.83  496.385  561.916   72.624   29.943   38.083   13.930 34.54033 33.02501 
1 1 1   18   26   13 o  228.366   12.631 21776.48  2333.09 26865.50  5767.41 20780.74  2551.15  239.029   30.404  222.253   14.211 16.77596 33.56149 
1 1 1   18   26   14 o   23.309   10.918 -504.6730  518.526  6606.06  3246.29 -690.8409  525.270  114.164   33.096   21.965   10.493 92.19858 34.71928 
1 1 1   18   26   15 o   46.841   17.352  787.073  876.389  151.746  4367.20  813.731  894.586   74.785   33.778   47.440   17.540 27.34521 38.06091 
1 1 1   18   26   16 f   47.888   17.751  849.129  917.456 -7437.4668  4750.27  1170.21  935.062   56.339   27.890   52.778   18.098 3.560406 33.24715 
1 1 1   18   26   17 o  133.402   13.936  7746.71  1487.26   0.0000   0.0000  7746.71  1487.26  ?   ?   133.402   13.936 0.000000 13.93621 
1 1 1   18   26   18 o   99.443   17.307  4593.12  1346.68   0.0000   0.0000  4593.12  1346.68  ?   ?    99.443   17.307 0.000000 17.30689 
1 1 1   18   26   19 o  116.429   16.429  6364.77  1509.96   0.0000   0.0000  6364.77  1509.96  ?   ?   116.429   16.429 0.000000 16.42877 
1 1 1   18   28    0 o  136.572   17.887  7826.90  1935.90   0.0000   0.0000  7826.90  1935.90  ?   ?   136.572   17.887 0.000000 17.88743 
1 1 1   18   28    1 o  114.087   19.919  5545.35  1778.09   0.0000   0.0000  5545.35  1778.09  ?   ?   114.087   19.919 0.000000 19.91948 
1 1 1   18   28    2 o  240.073   18.232 23967.31  3527.51   0.0000   0.0000 23967.31  3527.51  ?   ?   240.073   18.232 0.000000 18.23240 
1 1 1   18   28    3 o   60.211   21.374  1324.88  1311.07   0.0000   0.0000  1324.88  1311.07  ?   ?    60.211   21.374 0.000000 21.37377 
1 1 1   18   28    4 o  410.342   19.789 70112.69  6593.26 70728.28 11797.16 69833.06  7950.93  398.787   36.850  406.378   24.206 -7.590546 44.08912 
1 1 1   18   28    5 o  252.154   16.166 26408.48  3292.36 31519.57  6194.75 24396.43  3886.75  269.341   28.771  240.854   20.057 28.48633 35.07200 
1 1 1   18   28    6 o  338.911   18.328 48060.65  5024.87 52764.48  9003.47 45932.69  6055.73  344.506   32.573  328.623   22.837 15.88303 39.78097 
1 1 1   18   28    7 o  290.062   17.402 35252.93  4079.64 39091.85  7540.37 33664.10  4850.95  295.100   31.981  281.203   21.406 13.89709 38.48395 
1 1 1   18   28    8 o   49.265   10.314  1033.16  399.363  1275.89  2918.35  1028.53  403.156   74.140   30.384   49.137   10.428 25.00327 32.12310 
1 1 1   18   28    9 o  100.730   9.5399  4200.82  770.969  3402.35  3424.58  4243.45  791.282   91.548   34.225  101.201   9.7502 -9.653816 35.58635 
1 1 1   18   28   10 o   32.557   11.768  367.710  399.273 -995.4035  3017.59  392.000  402.815   61.794   27.979   33.167   11.839 28.62671 30.38098 
1 1 1   18   28   11 o  256.233   12.987 27416.49  2693.21 32036.21  6938.85 26597.10  2922.31  257.736   33.986  251.589   14.365 6.147186 36.89697 
1 1 1   18   28   12 o  185.671   12.491 14439.75  1872.13 12249.22  5531.25 14723.16  1989.56  147.209   43.352  187.171   13.175 -39.96153 45.30994 
1 1 1   18   28   13 o  154.077   11.179  9929.76  1389.01 18204.39  5002.79  9238.61  1445.85  189.887   33.681  148.209   12.121 41.67842 35.79512 
1 1 1   18   28   14 o  219.240   13.352 20402.73  2365.53 23572.16  6699.97 19951.38  2528.36  200.995   42.388  215.954   14.503 -14.95941 44.80040 
1 1 1   18   28   15 o   31.442   14.088 -254.5139  742.665 -909.7584  5462.38 -242.1735  749.626   74.459   35.055   31.722   14.188 42.73672 37.81700 
1 1 1   18   28   16 o  111.416   14.313  5461.40  1264.90   0.0000   0.0000  5461.40  1264.90  ?   ?   111.416   14.313 0.000000 14.31296 
1 1 1   18   28   17 o  125.060   15.948  7118.93  1582.54   0.0000   0.0000  7118.93  1582.54  ?   ?   125.060   15.948 0.000000 15.94765 
1 1 1   18   28   18 f   65.027   19.501  2150.56  1111.34   0.0000   0.0000  2150.56  1111.34  ?   ?    65.027   19.501 0.000000 19.50094 
1 1 1   18   30    0 o  389.084   24.288 64924.82  7634.79   0.0000   0.0000 64924.82  7634.79  ?   ?   389.084   24.288 0.000000 24.28795 
1 1 1   18   30    1 o  391.085   24.437 65675.64  7721.10   0.0000   0.0000 65675.64  7721.10  ?   ?   391.085   24.437 0.000000 24.43723 
1 1 1   18   30    2 o  154.870   19.704 10233.95  2421.61   0.0000   0.0000 10233.95  2421.61  ?   ?   154.870   19.704 0.000000 19.70363 
1 1 1   18   30    3 o  144.555   20.018  8963.17  2286.56   0.0000   0.0000  8963.17  2286.56  ?   ?   144.555   20.018 0.000000 20.01837 
1 1 1   18   30    4 o  134.777   18.484  7763.83  1969.54  5562.56  4505.39  8283.88  2189.86  111.046   39.600  138.713   20.023 -27.66739 44.37431 
1 1 1   18   30    5 o  114.539   20.047  5707.14  1796.48  1774.51  4155.58  6611.03  1992.27   86.129   35.866  123.250   20.637 -37.12128 41.37985 
1 1 1   18   30    6 o  177.545   17.384 13378.81  2473.96 13470.51  5305.63 13353.33  2796.60  164.036   40.158  176.215   19.894 -12.17905 44.81532 
1 1 1   18   30    7 o  267.555   18.324 30472.36  3956.94 37373.54  7502.31 27812.71  4657.42  282.254   33.382  252.257   22.991 29.99762 40.53314 
1 1 1   18   30    8 o  206.998   11.797 17799.43  1974.54 19242.23  6392.29 17647.25  2076.07  192.302   42.106  205.831   12.481 -13.52910 43.91646 
1 1 1   18   30    9 o   43.525   11.498  813.321  412.400  9701.68  4581.19  740.704  414.081  135.829   39.298   41.680   11.737 94.14936 41.01350 
1 1 1   18   30   10 o   45.850   11.548  906.993  429.678 -3076.7419  4768.42  939.604  431.433   68.862   32.521   46.661   11.469 22.20079 34.48365 
1 1 1   18   30   11 o  108.320   10.533  4911.22  914.686  9678.56  4694.19  4723.06  932.562  131.174   40.238  106.066   10.988 25.10809 41.71127 
1 1 1   18   30   12 o  127.012   10.929  6771.97  1116.16  8026.23  6016.73  6727.27  1135.88  113.649   44.626  126.495   11.174 -12.84576 46.00335 
1 1 1   18   30   13 o  108.023   12.928  5005.09  1111.42  7082.50  6399.15  4940.47  1128.57  105.111   44.190  107.175   13.251 -2.064255 46.13414 
1 1 1   18   30   14 o  113.679   13.410  5601.02  1213.97 -2061.1089  6072.42  5919.99  1238.98   73.018   35.091  116.974   13.280 -43.95628 37.52002 
1 1 1   18   30   15 o   45.835   16.912  822.797  830.844   0.0000   0.0000  822.797  830.844  ?   ?    45.835   16.912 0.000000 16.91213 
1 1 1   18   30   16 o   80.607   17.842  3114.49  1136.86   0.0000   0.0000  3114.49  1136.86  ?   ?    80.607   17.842 0.000000 17.84163 
1 1 1   18   30   17 o   87.192   17.791  3736.72  1216.93   0.0000   0.0000  3736.72  1216.93  ?   ?    87.192   17.791 0.000000 17.79146 
1 1 1   18   32    0 o   58.415   22.499  1080.31  1506.46   0.0000   0.0000  1080.31  1506.46  ?   ?    58.415   22.499 0.000000 22.49901 
1 1 1   18   32    1 o  275.210   21.893 32878.42  4851.85   0.0000   0.0000 32878.42  4851.85  ?   ?   275.210   21.893 0.000000 21.89326 
1 1 1   18   32    2 o  210.310   21.375 19224.89  3599.42   0.0000   0.0000 19224.89  3599.42  ?   ?   210.310   21.375 0.000000 21.37529 
1 1 1   18   32    3 o  155.889   21.650 10666.86  2666.44   0.0000   0.0000 10666.86  2666.44  ?   ?   155.889   21.650 0.000000 21.65037 
1 1 1   18   32    4 o  216.868   21.676 20554.86  3765.84   0.0000   0.0000 20554.86  3765.84  ?   ?   216.868   21.676 0.000000 21.67620 
1 1 1   18   32    5 o  100.106   23.325  4559.40  1860.77  7062.34  5093.94  4173.98  1998.91  116.884   42.062   95.082   25.407 21.80236 49.13986 
1 1 1   18   32    6 o  229.069   19.697 22781.15  3627.99 28645.12  7401.04 20926.36  4162.40  235.508   40.143  216.057   24.139 19.45006 46.84185 
1 1 1   18   32    7 o  166.892   21.225 12342.03  2811.15 14389.16  6369.80 11846.87  3132.74  156.297   46.645  161.156   24.731 -4.858963 52.79546 
1 1 1   18   32    8 o  104.107   25.782  5124.12  2167.93  7374.94  5618.45  4730.38  2349.91  114.733   43.628   99.052   27.983 15.68068 51.83097 
1 1 1   18   32    9 o   94.609   9.7603  3742.77  739.006 11897.75  6300.78  3629.02  744.142  136.269   46.965   93.078   10.003 43.19066 48.01837 
1 1 1   18   32   10 o  125.945   11.222  6675.26  1135.58  1235.85  6984.85  6822.93  1150.89   89.333   41.236  127.329   11.247 -37.99660 42.74255 
1 1 1   18   32   11 f   24.505   11.189 -298.6356  495.410 -325.2051  6507.02 -298.4807  496.852   81.462   38.324   24.550   11.208 56.91177 39.92887 
1 1 1   18   32   12 o   33.600   13.906  182.525  619.244 -15173.3604  7064.15  301.438  621.637   59.289   29.986   35.360   14.193 23.92955 33.17558 
1 1 1   18   32   13 o   36.250   14.278  377.419  617.659   0.0000   0.0000  377.419  617.659  ?   ?    36.250   14.278 0.000000 14.27757 
1 1 1   18   32   14 o   53.102   17.840  1285.10  908.401   0.0000   0.0000  1285.10  908.401  ?   ?    53.102   17.840 0.000000 17.84004 
1 1 1   18   32   15 o   58.231   19.324  1668.04  1066.32   0.0000   0.0000  1668.04  1066.32  ?   ?    58.231   19.324 0.000000 19.32427 
1 1 1   18   32   16 o   67.769   22.722  2612.54  1473.56   0.0000   0.0000  2612.54  1473.56  ?   ?    67.769   22.722 0.000000 22.72191 
1 1 1   18   34    0 o   53.025   22.892  126.085  1799.30   0.0000   0.0000  126.085  1799.30  ?   ?    53.025   22.892 0.000000 22.89194 
1 1 1   18   34    1 o  130.349   28.478  8123.99  2929.81   0.0000   0.0000  8123.99  2929.81  ?   ?   130.349   28.478 0.000000 28.47812 
1 1 1   18   34    2 o  140.494   27.754  9347.54  3053.74   0.0000   0.0000  9347.54  3053.74  ?   ?   140.494   27.754 0.000000 27.75372 
1 1 1   18   34    3 o  196.276   25.931 17790.02  4031.50   0.0000   0.0000 17790.02  4031.50  ?   ?   196.276   25.931 0.000000 25.93149 
1 1 1   18   34    4 o  208.452   25.218 19992.44  4181.53   0.0000   0.0000 19992.44  4181.53  ?   ?   208.452   25.218 0.000000 25.21822 
1 1 1   18   34    5 o  177.791   21.952 14236.48  3101.65 15099.08  7085.99 14032.04  3449.67  150.975   49.801  173.932   25.157 -22.95689 55.79473 
1 1 1   18   34    6 o   61.664   25.064  1095.54  1965.43 -1266.5490  6158.73  1363.38  2073.87   80.426   37.659   64.776   25.950 15.64976 45.73394 
1 1 1   18   34    7 o  177.744   25.123 14862.30  3524.73 20231.66  8133.14 13620.64  3911.10  165.283   53.281  165.179   30.277 0.1037750 61.28256 
1 1 1   18   34    8 o   71.493   28.293  2021.57  2436.30  6325.80  6859.98  1400.33  2606.19  103.065   44.597   68.073   28.380 34.99138 52.86105 
1 1 1   18   34    9 o   47.086   12.451  972.513  483.305  2068.80  7001.91  967.265  484.461   87.768   40.783   46.961   12.489 40.80685 42.65185 
1 1 1   18   34   10 o   48.632   13.423  1047.22  547.391  2730.88  6883.86  1036.51  549.130   86.556   40.292   48.396   13.476 38.15990 42.48558 
1 1 1   18   34   11 o   20.148   9.6278 -568.4713  442.995   0.0000   0.0000 -568.4713  442.995  ?   ?    20.148   9.6278 0.000000 9.627777 
1 1 1   18   34   12 o   51.173   15.900  1194.08  730.312   0.0000   0.0000  1194.08  730.312  ?   ?    51.173   15.900 0.000000 15.90015 
1 1 1   18   34   13 o  147.753   13.603  9748.30  1613.67   0.0000   0.0000  9748.30  1613.67  ?   ?   147.753   13.603 0.000000 13.60340 
1 1 1   18   34   14 f   56.418   18.215  1589.84  950.227   0.0000   0.0000  1589.84  950.227  ?   ?    56.418   18.215 0.000000 18.21454 
1 1 1   18   36    0 o  103.913   31.941  5687.04  2956.23   0.0000   0.0000  5687.04  2956.23  ?   ?   103.913   31.941 0.000000 31.94127 
1 1 1   18   36    1 o   93.860   32.874  4585.65  3093.17   0.0000   0.0000  4585.65  3093.17  ?   ?    93.860   32.874 0.000000 32.87440 
1 1 1   18   36    2 o   91.796   33.194  4355.64  3177.44   0.0000   0.0000  4355.64  3177.44  ?   ?    91.796   33.194 0.000000 33.19423 
1 1 1   18   36    3 o   67.829   29.530  847.873  3044.65   0.0000   0.0000  847.873  3044.65  ?   ?    67.829   29.530 0.000000 29.52975 
1 1 1   18   36    4 o   95.686   33.564  4953.11  3224.77   0.0000   0.0000  4953.11  3224.77  ?   ?    95.686   33.564 0.000000 33.56352 
1 1 1   18   36    5 o   44.601   21.068 -1654.9620  2003.21   0.0000   0.0000 -1654.9620  2003.21  ?   ?    44.601   21.068 0.000000 21.06772 
1 1 1   18   36    6 o   97.822   31.840  5274.39  2900.00  6813.54  9020.00  5096.95  3062.60   99.995   46.404   95.645   32.754 4.349838 56.79910 
1 1 1   18   36    7 o  129.404   31.567  9212.50  3287.32  2728.88  9665.89 10060.51  3495.69   89.987   43.500  134.488   32.396 -44.50170 54.23843 
1 1 1   18   36    8 o   56.514   25.938 -422.8093  2709.01 13821.04  8749.79 -1932.9500  2849.00  111.474   49.242   51.872   24.684 59.60124 55.08228 
1 1 1   18   36    9 o   88.697   11.080  3393.07  780.546   0.0000   0.0000  3393.07  780.546  ?   ?    88.697   11.080 0.000000 11.07967 
1 1 1   18   36   10 f   80.960   11.797  2875.60  752.712   0.0000   0.0000  2875.60  752.712  ?   ?    80.960   11.797 0.000000 11.79713 
1 1 1   18   36   11 o   61.778   13.923  1761.89  681.687   0.0000   0.0000  1761.89  681.687  ?   ?    61.778   13.923 0.000000 13.92307 
1 1 1   18   36   12 o   27.935   12.176  -6.3859  518.935   0.0000   0.0000  -6.3859  518.935  ?   ?    27.935   12.176 0.000000 12.17564 
1 1 1   18   38    0 o  120.052   37.841  9350.51  4120.11   0.0000   0.0000  9350.51  4120.11  ?   ?   120.052   37.841 0.000000 37.84113 
1 1 1   18   38    1 o   95.870   34.816  5636.40  3500.96   0.0000   0.0000  5636.40  3500.96  ?   ?    95.870   34.816 0.000000 34.81614 
1 1 1   18   38    2 f  101.509   37.453  6837.00  4074.69   0.0000   0.0000  6837.00  4074.69  ?   ?   101.509   37.453 0.000000 37.45327 
1 1 1   18   38    3 o  131.539   39.367 11662.24  4532.34   0.0000   0.0000 11662.24  4532.34  ?   ?   131.539   39.367 0.000000 39.36672 
1 1 1   18   38    4 o  213.509   36.478 27686.80  6096.81   0.0000   0.0000 27686.80  6096.81  ?   ?   213.509   36.478 0.000000 36.47805 
1 1 1   18   38    5 o  102.114   35.179  6911.35  3535.01   0.0000   0.0000  6911.35  3535.01  ?   ?   102.114   35.179 0.000000 35.17892 
1 1 1   18   38    6 o   69.405   31.121  1777.62  3631.04   0.0000   0.0000  1777.62  3631.04  ?   ?    69.405   31.121 0.000000 31.12077 
1 1 1   18   38    7 o   60.705   28.365   57.946  3462.91   0.0000   0.0000   57.946  3462.91  ?   ?    60.705   28.365 0.000000 28.36468 
1 1 1   18   38    8 o  151.097   39.143 17204.18  4840.99   0.0000   0.0000 17204.18  4840.99  ?   ?   151.097   39.143 0.000000 39.14304 
1 1 1   18   38    9 o   61.032   11.156  1663.14  532.448   0.0000   0.0000  1663.14  532.448  ?   ?    61.032   11.156 0.000000 11.15556 
1 1 1   18   38   10 o   67.837   11.497  2075.05  610.682   0.0000   0.0000  2075.05  610.682  ?   ?    67.837   11.497 0.000000 11.49745 
1 1 1   18   40    0 o   77.452   33.615  4216.78  3921.34   0.0000   0.0000  4216.78  3921.34  ?   ?    77.452   33.615 0.000000 33.61546 
1 1 1   18   40    1 o   46.491   22.895 -3592.5591  3059.17   0.0000   0.0000 -3592.5591  3059.17  ?   ?    46.491   22.895 0.000000 22.89461 
1 1 1   18   40    2 o  120.145   41.950 13447.58  5034.96   0.0000   0.0000 13447.58  5034.96  ?   ?   120.145   41.950 0.000000 41.95024 
1 1 1   18   40    3 o   78.495   34.108  4778.05  4046.52   0.0000   0.0000  4778.05  4046.52  ?   ?    78.495   34.108 0.000000 34.10801 
1 1 1   18   40    4 o   70.905   32.514  3239.35  4243.72   0.0000   0.0000  3239.35  4243.72  ?   ?    70.905   32.514 0.000000 32.51417 
1 1 1   18   40    5 o   65.957   30.890  2186.30  4147.30   0.0000   0.0000  2186.30  4147.30  ?   ?    65.957   30.890 0.000000 30.88991 
1 1 1   18   40    6 o   72.158   32.588  4419.66  4063.50   0.0000   0.0000  4419.66  4063.50  ?   ?    72.158   32.588 0.000000 32.58813 
1 1 1   19    1    0 o  662.137   32.285 180631.91 17357.62 175296.70 24546.20 185968.09 24548.57  645.412   47.166  665.564   45.702 -20.15179 65.67575 
1 1 1   19    1    1 o  820.189   39.935 278785.09 26595.46   0.0000   0.0000 278785.09 26595.46  ?   ?   820.189   39.935 0.000000 39.93515 
1 1 1   19    1    2 o  558.493   19.103 127149.00  8662.66 121458.50 12240.91 132858.09 12260.83  543.924   27.809  569.824   26.500 -25.90021 38.41348 
1 1 1   19    1    3 o  102.165   5.4444  4250.71  450.009  4246.75  634.356  4254.71  638.482  101.957   7.7199  102.049   7.7638 -0.9183502E-01 10.94865 
1 1 1   19    1    5 f  901.600   30.407 332028.09 22260.35 332652.50 31484.52 331403.91 31477.27  899.702   43.098  897.994   43.170 1.708313 61.00115 
1 1 1   19    1    6 o  951.112   32.063 369455.91 24761.38 366464.50 35022.01 372445.81 35013.74  944.369   45.673  952.140   45.290 -7.771057 64.32105 
1 1 1   19    1    7 f  495.827   17.127 99969.58  6895.41 100223.80  9757.46 99715.92  9745.71  496.058   24.225  494.797   24.258 1.260742 34.28246 
1 1 1   19    1    8 o  1126.77   54.202 524574.50 49589.99 533988.12 70133.70 515162.41 70127.99  1124.42   77.287  1103.51   78.784 20.91016 110.3639 
1 1 1   19    1    9 o  1053.82   35.348 455411.69 30246.52 445063.91 42781.80 465752.91 42768.27  1036.26   50.846  1060.56   49.664 -24.31030 71.07633 
1 1 1   19    1   10 o  627.556   21.204 160772.70 10804.74 159084.70 15286.94 162457.70 15273.50  622.481   30.245  629.125   29.899 -6.644043 42.52937 
1 1 1   19    1   11 o  744.055   25.057 227161.41 15138.33 224328.09 21416.56 229990.59 21401.11  735.334   35.870  744.769   35.390 -9.435059 50.38904 
1 1 1   19    1   12 o  410.931   20.684 69302.68  6879.29 69600.16  9750.09 69007.77  9707.60  409.548   29.518  407.794   29.517 1.754333 41.74436 
1 1 1   19    1   13 o   78.934   6.9718  2552.01  442.244  2531.17  616.052  2574.16  635.244   78.253   9.9184   78.890   10.153 -0.6370926 14.19333 
1 1 1   19    1   14 o   54.504   8.6312  1238.05  369.253  765.243  522.246  1710.69  522.160   43.416   13.438   64.006   10.405 -20.58948 16.99550 
1 1 1   19    1   15 o  175.888   7.8641 12584.06  1123.11 12897.24  1606.72 12284.82  1570.53  177.538   11.203  173.252   11.225 4.286163 15.85891 
1 1 1   19    1   16 o  111.704   7.4359  5098.68  670.581  4785.38  921.213  5451.81  978.025  107.818   10.663  115.160   10.578 -7.342026 15.01928 
1 1 1   19    1   17 o  129.307   7.7035  6832.56  805.146  6759.45  1126.79  6908.83  1150.89  128.187   10.930  129.588   11.043 -1.401352 15.53772 
1 1 1   19    1   18 o  188.318   8.6531 14480.38  1323.12 14191.91  1874.18 14767.02  1868.20  185.449   12.520  189.257   12.223 -3.807404 17.49674 
1 1 1   19    1   19 o   69.649   11.120  2043.14  607.719  2693.18  853.728  1375.39  865.278   79.586   13.706   57.003   17.233 22.58303 22.01842 
1 1 1   19    1   20 o  160.510   9.0287 10609.53  1171.92 11828.42  1670.68  9428.78  1644.33  168.520   12.294  149.905   13.659 18.61513 18.37736 
1 1 1   19    1   21 f  339.477   13.176 48207.12  3631.80 43887.36  5116.75 52592.99  5155.75  317.430   19.954  349.520   18.230 -32.09024 27.02755 
1 1 1   19    1   22 o  155.545   12.633 10231.60  1581.74  9870.23  3019.36 10368.29  1856.93  143.341   26.931  155.395   14.900 -12.05486 30.77794 
1 1 1   19    1   23 o   43.766   16.150  707.850  757.637  1692.35  2259.48  583.133  804.195   66.919   26.988   42.524   16.422 24.39464 31.59177 
1 1 1   19    1   24 o   40.041   15.817  492.557  760.103  492.557  760.103   0.0000   0.0000   40.041   15.817  ?   ?  0.000000 15.81704 
1 1 1   19    1   25 o   49.952   17.712  1153.33  900.132  1153.33  900.132   0.0000   0.0000   49.952   17.712  ?   ?  0.000000 17.71247 
1 1 1   19    3    0 o  500.301   35.503 103745.40 14328.54   0.0000   0.0000 103745.40 14328.54  ?   ?   500.301   35.503 0.000000 35.50274 
1 1 1   19    3    1 o  132.177   7.5382  7120.60  805.672  8189.64  971.218  4761.56  1442.73  141.717   8.4792  106.775   17.227 34.94138 19.20094 
1 1 1   19    3    2 o  438.952   14.904 78401.86  5312.03 78565.38  7510.37 78238.18  7514.32  438.914   21.074  437.994   21.129 0.9201355 29.84208 
1 1 1   19    3    3 o  690.232   23.132 194302.80 12964.00 192319.70 18337.86 196284.20 18329.89  685.096   32.965  692.189   32.613 -7.092834 46.37191 
1 1 1   19    3    4 o  805.396   27.043 264757.00 17685.16 268209.41 25023.14 261311.59 24998.06  808.508   38.117  797.941   38.583 10.56763 54.23618 
1 1 1   19    3    5 o  517.872   17.402 109090.40  7317.49 106531.30 10363.82 111634.30 10333.23  511.243   24.966  523.398   24.315 -12.15448 34.84983 
1 1 1   19    3    6 o  609.385   20.718 151132.30 10251.04 150090.41 14511.56 152170.09 14482.80  606.520   29.467  610.734   29.205 -4.214233 41.48774 
1 1 1   19    3    7 o  750.443   29.315 229721.41 17862.52 226292.20 30939.89 231435.80 21876.64  739.375   51.865  752.362   35.811 -12.98767 63.02686 
1 1 1   19    3    8 o  752.262   25.213 230659.09 15400.29 233917.00 21796.24 227411.30 21762.41  756.086   35.504  745.423   35.956 10.66309 50.53025 
1 1 1   19    3    9 f  695.091   23.372 197082.09 13190.78 199421.50 18671.12 194750.91 18638.09  697.578   32.964  689.294   33.301 8.283569 46.85709 
1 1 1   19    3   10 o  1227.97   41.335 625852.62 41213.96 642761.88 58301.81 608962.38 58268.90  1231.20   58.320  1195.43   60.224 35.77319 83.83400 
1 1 1   19    3   11 o  217.012   9.7209 19151.10  1712.88 18068.49  2100.29 21301.28  2959.91  210.322   12.353  227.983   16.093 -17.66077 20.28734 
1 1 1   19    3   12 o  754.256   29.949 235105.20 18341.68 230197.09 31839.36 237542.91 22439.02  730.307   54.078  754.878   36.609 -24.57153 65.30412 
1 1 1   19    3   13 o  128.196   6.8756  6698.48  713.083  6118.85  1012.35  7269.27  1004.60  122.187   10.300  133.352   9.3369 -11.16573 13.90208 
1 1 1   19    3   14 o  163.178   7.4643 10826.38  988.982  9777.86  1402.29 11864.04  1395.00  154.522   11.254  170.413   10.127 -15.89110 15.13975 
1 1 1   19    3   15 o  427.991   15.081 74905.18  5240.73 72999.66  7424.37 76797.55  7398.73  420.321   21.829  431.880   21.099 -11.55884 30.35900 
1 1 1   19    3   16 o  290.719   10.993 34472.91  2594.97 36377.26  3685.81 32601.21  3654.08  297.612   15.304  281.534   16.051 16.07724 22.17815 
1 1 1   19    3   17 o  309.473   11.759 39164.66  2954.87 39202.09  4192.96 39127.73  4164.81  308.022   16.829  307.759   16.729 0.2622681 23.72920 
1 1 1   19    3   18 o  104.876   7.9357  4512.91  670.771  4466.05  993.672  4552.15  909.177  103.619   12.035  104.860   10.834 -1.241608 16.19308 
1 1 1   19    3   19 o  115.249   8.5819  5465.31  797.323  5364.73  1128.41  5565.60  1126.76  113.342   12.467  115.535   12.195 -2.193382 17.44024 
1 1 1   19    3   20 o  126.119   11.452  6627.44  1159.91  6647.85  2347.00  6620.84  1334.24  121.084   24.709  125.504   13.295 -4.419777 28.05854 
1 1 1   19    3   21 o  124.722   11.839  6525.98  1184.56 10905.02  2853.66  5614.35  1302.03  155.322   23.350  114.750   14.283 40.57171 27.37192 
1 1 1   19    3   22 o  148.536   10.617  9229.61  1272.01  9475.80  1604.36  8812.91  2087.25  149.242   13.382  140.908   18.706 8.334213 22.99929 
1 1 1   19    3   23 o   65.177   14.700  1899.76  759.422  1568.58  873.061  2929.30  1539.36   58.819   17.196   77.774   22.861 -18.95545 28.60580 
1 1 1   19    3   24 o  112.910   11.168  5484.98  1010.48  5200.94  1442.46  5758.68  1415.97  105.916   17.375  112.613   15.930 -6.697227 23.57278 
1 1 1   19    3   25 o   40.315   15.199  638.103  678.203  453.838  901.404  878.495  1029.57   40.558   16.781   46.920   18.448 -6.362408 24.93908 
1 1 1   19    5    0 o  530.299   37.466 116407.90 16028.33   0.0000   0.0000 116407.90 16028.33  ?   ?   530.299   37.466 0.000000 37.46562 
1 1 1   19    5    1 o  646.040   31.342 171050.30 16441.09 178518.91 23265.88 163600.41 23236.58  655.638   43.958  626.862   45.973 28.77551 63.60670 
1 1 1   19    5    2 o  1073.61   52.117 478913.41 45432.26 473728.91 64267.52 484092.69 64234.32  1052.19   75.731  1064.35   74.802 -12.15686 106.4448 
1 1 1   19    5    3 o  352.107   13.657 50404.49  3904.60 55606.30  5528.92 45228.86  5514.99  369.616   18.423  332.618   20.520 36.99835 27.57682 
1 1 1   19    5    4 o  464.800   15.220 87844.06  5744.09 84911.67  8134.39 90760.66  8112.39  456.596   21.941  472.113   21.162 -15.51682 30.48361 
1 1 1   19    5    5 o  570.924   19.236 132626.70  8917.41 126635.40 12625.45 138591.00 12596.85  556.489   28.032  583.028   26.609 -26.53906 38.65007 
1 1 1   19    5    6 o  753.283   24.874 231159.50 15214.25 240817.59 21534.15 221533.41 21498.28  767.641   34.549  736.061   35.971 31.58002 49.87500 
1 1 1   19    5    7 o  643.768   21.361 168693.50 11165.81 177827.80 15807.03 159596.59 15774.68  660.191   29.488  625.264   31.071 34.92725 42.83638 
1 1 1   19    5    8 o  519.771   17.878 109921.90  7545.33 107834.80 10688.51 111995.10 10652.99  514.222   25.599  524.099   25.033 -9.876892 35.80499 
1 1 1   19    5    9 o  397.095   13.799 64138.48  4449.12 64400.66  6309.22 63879.13  6274.92  397.528   19.547  395.917   19.519 1.610840 27.62378 
1 1 1   19    5   10 o  341.575   12.003 47466.69  3329.09 46439.55  4727.28 48477.28  4689.03  337.038   17.333  344.852   16.746 -7.813599 24.10089 
1 1 1   19    5   11 o  220.573   9.9451 19787.78  1781.15 18971.31  2189.61 21384.81  3062.35  215.495   12.568  228.335   16.632 -12.84024 20.84666 
1 1 1   19    5   12 o  124.478   7.9328  6324.29  797.609  5928.11  1501.04  6480.17  941.533  119.497   15.862  125.887   9.2765 -6.389824 18.37556 
1 1 1   19    5   13 o  376.752   13.553 57878.48  4145.98 55592.58  5880.76 60137.43  5846.00  367.819   19.763  383.265   18.785 -15.44540 27.26672 
1 1 1   19    5   14 o  164.385   7.4367 10987.54  992.617 10001.80  1418.79 11932.63  1389.22  156.281   11.256  170.906   10.055 -14.62424 15.09338 
1 1 1   19    5   15 o  255.025   10.110 26493.20  2093.44 26390.32  2975.57 26594.04  2945.79  253.673   14.507  254.688   14.303 -1.015228 20.37171 
1 1 1   19    5   16 o  263.419   10.385 28294.14  2221.28 29863.96  3158.11 26757.16  3124.90  269.698   14.474  255.102   15.154 14.59602 20.95626 
1 1 1   19    5   17 o  213.370   9.1527 18570.53  1585.71 19304.41  2253.22 17850.42  2231.99  216.679   12.865  208.245   13.269 8.433792 18.48172 
1 1 1   19    5   18 o  204.940   10.993 17273.27  1822.64 17630.59  3555.66 17145.92  2122.74  203.295   21.885  203.690   12.901 -0.3950348 25.40502 
1 1 1   19    5   19 o   20.804   10.155 -1036.4611  562.202 -926.6063  1765.87 -1048.8521  593.061   46.606   21.220   21.626   10.528 24.98087 23.68814 
1 1 1   19    5   20 o  114.443   9.6408  5425.87  887.517  6080.61  1104.33  4231.68  1491.43  120.738   11.400   97.935   19.441 22.80291 22.53695 
1 1 1   19    5   21 o  140.359   10.431  8200.16  1180.28  8278.86  1439.92  8039.01  2060.47  140.177   12.792  135.071   19.339 5.106705 23.18710 
1 1 1   19    5   22 o   59.681   14.206  1571.39  678.505  2231.89  855.552  451.837  1113.87   70.995   15.293   45.814   18.773 25.18126 24.21342 
1 1 1   19    5   23 o   55.965   13.730  1395.87  619.224  766.248  784.045  2439.68  1009.51   44.886   16.449   72.895   17.313 -28.00971 23.88154 
1 1 1   19    5   24 o   37.659   14.797  439.843  661.885  1509.31  788.688 -2107.3469  1217.18   56.902   16.259   29.788   14.624 27.11399 21.86804 
1 1 1   19    5   25 o   43.583   15.391  839.589  678.954  759.236  786.534  1074.53  1344.93   43.111   16.340   51.044   20.739 -7.933052 26.40260 
1 1 1   19    7    0 o  1377.47  100.915 838431.88 112083.30   0.0000   0.0000 838431.88 112083.30  ?   ?   1377.47  100.915 0.000000 100.9146 
1 1 1   19    7    1 o  534.229   26.170 116491.10 11351.88 116294.20 16071.12 116687.20 16036.91  531.003   37.516  531.940   37.367 -0.9361572 52.95002 
1 1 1   19    7    2 o  102.538   6.4993  4287.05  538.324  4937.19  992.710  4016.24  640.710  109.644   11.313   99.113   8.0305 10.53122 13.87357 
1 1 1   19    7    3 o  502.242   20.338 102691.30  8294.00 92070.48 14453.55 107905.70 10127.37  472.462   37.998  514.537   24.240 -42.07523 45.07136 
1 1 1   19    7    4 o  279.708   10.590 31784.57  2405.08 30357.75  3393.14 33225.20  3409.51  272.822   15.380  285.504   14.758 -12.68219 21.31540 
1 1 1   19    7    5 o  876.713   34.331 314119.00 24439.02 325715.09 42247.70 308287.09 29960.66  885.182   59.120  867.004   42.559 18.17767 72.84568 
1 1 1   19    7    6 o  329.695   11.455 44162.25  3066.50 45133.67  4343.78 43197.16  4329.62  333.183   16.056  325.532   16.433 7.650513 22.97517 
1 1 1   19    7    7 o  850.082   27.530 294771.09 19002.51 315912.00 26889.47 273680.00 26857.78  878.224   37.708  816.866   40.493 61.35822 55.33186 
1 1 1   19    7    8 o  377.310   12.984 57877.18  3977.73 59110.74  5642.98 56658.92  5607.89  381.053   18.238  373.051   18.514 8.001953 25.98836 
1 1 1   19    7    9 o  659.803   22.042 177777.41 11808.58 176839.50 16718.46 178711.09 16681.30  656.098   31.383  659.619   31.146 -3.521118 44.21455 
1 1 1   19    7   10 o  344.832   14.477 48442.11  4053.42 45142.07  4976.06 54950.40  6988.10  332.005   18.533  365.469   23.676 -33.46384 30.06700 
1 1 1   19    7   11 o  289.099   10.379 34001.41  2436.33 31886.55  3465.32 36068.55  3426.00  279.206   15.344  297.491   14.183 -18.28497 20.89535 
1 1 1   19    7   12 o  357.133   14.935 52032.44  4330.97 49495.90  7633.37 53236.63  5259.48  345.306   27.452  360.855   17.950 -15.54910 32.79977 
1 1 1   19    7   13 o  172.580   7.6128 12109.44  1066.78 11472.75  1526.69 12716.90  1491.24  167.459   11.294  176.435   10.456 -8.976105 15.39096 
1 1 1   19    7   14 o  156.272   7.5805  9931.28  961.867  9456.60  1373.57 10388.02  1347.38  151.930   11.214  159.363   10.471 -7.432617 15.34242 
1 1 1   19    7   15 o  141.335   7.3492  8146.85  840.484  8687.65  1212.11  7646.02  1166.45  145.653   10.316  136.561   10.603 9.092361 14.79305 
1 1 1   19    7   16 o  381.687   15.993 59809.01  4956.65 63578.46  8811.31 58063.99  5995.16  388.134   28.150  374.484   19.787 13.64944 34.40869 
1 1 1   19    7   17 o  345.543   15.019 49163.72  4213.98 47896.69  7554.25 49736.11  5077.36  334.257   28.094  345.996   18.136 -11.73901 33.43963 
1 1 1   19    7   18 o  283.216   12.354 33022.52  2840.99 34033.81  3515.40 31118.47  4823.67  286.133   15.185  270.006   22.199 16.12695 26.89577 
1 1 1   19    7   19 o  120.450   9.2129  5984.38  894.197  6124.56  1134.01  5753.92  1453.97  121.297   11.658  116.336   15.801 4.960800 19.63623 
1 1 1   19    7   20 o   48.144   12.602  998.981  498.371  460.204  678.521  1630.15  734.395   39.417   15.120   61.149   14.923 -21.73245 21.24385 
1 1 1   19    7   21 o  133.332   8.9194  7359.75  960.059  6841.99  1313.98  7952.71  1406.16  127.195   12.901  137.275   12.762 -10.08062 18.14663 
1 1 1   19    7   22 o   36.917   13.879  450.657  564.698 -101.2667  738.036  1230.06  877.040   32.994   14.447   53.505   17.514 -20.51070 22.70375 
1 1 1   19    7   23 o   47.899   14.888  1007.32  640.255  690.902  835.933  1456.36  995.825   44.257   16.829   56.887   18.665 -12.63031 25.13121 
1 1 1   19    7   24 o   39.577   13.940  640.890  556.646  1086.26  665.303 -398.4808  1016.35   48.853   15.175   35.131   16.035 13.72231 22.07748 
1 1 1   19    7   25 o   41.461   15.369  721.616  687.671  110.142  753.206  3783.84  1685.56   34.118   14.770   80.467   23.990 -46.34922 28.17240 
1 1 1   19    9    0 o  388.184   19.736 61498.56  6200.12   0.0000   0.0000 61498.56  6200.12  ?   ?   388.184   19.736 0.000000 19.73591 
1 1 1   19    9    1 o  480.444   19.455 93948.04  7589.43 93179.25 13145.70 94332.38  9294.96  476.019   34.240  481.126   23.793 -5.106964 41.69510 
1 1 1   19    9    2 o  770.029   37.162 242829.30 23235.14 247551.91 32875.73 238116.09 32843.19  772.401   52.735  757.146   53.773 15.25482 75.31567 
1 1 1   19    9    3 o  490.790   20.561 98036.95  8193.58 94168.41 14309.28 99924.13  9994.24  478.251   37.140  494.574   24.968 -16.32312 44.75261 
1 1 1   19    9    4 o  925.637   43.230 351519.00 32491.09   0.0000   0.0000 351519.00 32491.09  ?   ?   925.637   43.230 0.000000 43.22999 
1 1 1   19    9    5 o  394.981   12.700 63395.35  4073.14 77505.98  5804.22 49703.97  5717.35  436.601   16.373  348.907   20.269 87.69345 26.05532 
1 1 1   19    9    6 o  1950.72   93.250 1627916.00 147701.20 1822845.00 208991.20 1433397.00 208771.20  2015.95  128.344  1760.78  147.380 255.1663 195.4308 
1 1 1   19    9    7 o  871.982   28.755 310644.50 20359.24 321693.81 28796.31 299601.31 28788.33  884.734   40.085  853.430   41.544 31.30420 57.73000 
1 1 1   19    9    8 o  587.487   20.802 140781.09  9922.78 142046.41 14040.78 139518.50 14025.08  588.752   29.371  582.685   29.743 6.066528 41.80067 
1 1 1   19    9    9 o  416.880   17.011 70862.30  5758.24 68817.07  7062.45 74917.97  9945.27  409.775   21.300  425.959   28.926 -16.18396 35.92214 
1 1 1   19    9   10 o  512.217   16.710 107062.40  6949.62 101652.60  9842.77 112440.40  9813.79  497.684   24.357  523.714   23.078 -26.03073 33.55408 
1 1 1   19    9   11 o  437.287   14.503 77967.53  5149.35 71231.00  7298.21 84645.56  7266.45  416.321   21.665  454.808   19.677 -38.48700 29.26667 
1 1 1   19    9   12 o  914.065   36.882 349992.31 27373.77 337238.91 47578.31 356302.81 33467.81  863.552   68.415  915.375   45.029 -51.82373 81.90363 
1 1 1   19    9   13 o  423.140   17.420 73287.09  5985.17 72406.41 10556.99 73704.23  7265.67  415.669   31.514  423.531   21.128 -7.862244 37.94049 
1 1 1   19    9   14 o  305.464   13.379 38095.98  3318.43 36019.94  5941.90 39036.99  4000.43  293.932   25.138  308.430   16.029 -14.49866 29.81402 
1 1 1   19    9   15 o  363.378   15.276 54078.53  4507.23 56905.00  8045.54 52785.75  5441.23  368.422   27.085  357.736   18.798 10.68658 32.96923 
1 1 1   19    9   16 o  358.069   15.589 52678.03  4532.24 53286.55  5576.94 51494.45  7777.76  358.539   19.227  348.614   27.706 9.924133 33.72346 
1 1 1   19    9   17 o  178.979   9.5279 13127.46  1379.65 13953.68  1726.14 11666.06  2295.68  184.135   11.605  166.903   17.186 17.23264 20.73667 
1 1 1   19    9   18 o  310.293   11.883 39653.69  2993.88 43421.81  4289.44 36074.32  4180.63  322.223   16.450  292.970   17.657 29.25269 24.13203 
1 1 1   19    9   19 o  181.199   8.7202 13462.58  1282.99 14396.01  1829.39 12559.08  1799.81  186.133   12.171  173.565   12.863 12.56824 17.70846 
1 1 1   19    9   20 o  136.197   8.7968  7657.34  967.616  6921.48  1314.03  8529.02  1430.17  128.269   12.787  142.621   12.475 -14.35213 17.86473 
1 1 1   19    9   21 o   55.635   12.353  1344.24  543.481  1258.22  704.421  1470.75  854.266   53.650   15.378   57.828   17.039 -4.177681 22.95216 
1 1 1   19    9   22 o   98.388   9.6326  4062.90  759.661  4328.89  977.601  3657.48  1206.93  100.624   12.216   90.257   17.095 10.36728 21.01078 
1 1 1   19    9   23 o  141.250   10.395  8453.40  1183.82 10349.96  1655.36  6468.16  1693.63  154.353   13.339  118.512   18.181 35.84120 22.54919 
1 1 1   19    9   24 o   43.131   14.194  821.079  575.706  654.055  664.828  1321.79  1151.10   40.802   15.114   53.906   19.903 -13.10461 24.99131 
1 1 1   19   11    0 o  949.763   45.817 370861.81 35333.11   0.0000   0.0000 370861.81 35333.11  ?   ?   949.763   45.817 0.000000 45.81718 
1 1 1   19   11    1 o  737.657   35.813 222576.09 21450.38   0.0000   0.0000 222576.09 21450.38  ?   ?   737.657   35.813 0.000000 35.81313 
1 1 1   19   11    3 o  867.390   41.459 308440.41 29199.07 343993.59 41325.73 272997.31 41261.77  910.706   56.160  808.513   63.360 102.1924 84.66637 
1 1 1   19   11    4 o  1267.83   47.967 661429.50 49379.50 724817.38 85678.30 629902.19 60424.29  1308.86   81.018  1232.43   60.382 76.42224 101.0442 
1 1 1   19   11    5 o  778.579   28.641 247414.09 18106.22 289482.41 31500.49 226657.70 22126.63  837.306   46.517  743.951   36.630 93.35461 59.20760 
1 1 1   19   11    6 o  305.352   13.384 37907.63  3318.35 35576.71  5881.55 38996.07  4019.13  294.270   24.848  309.192   16.064 -14.92215 29.58842 
1 1 1   19   11    7 f  549.986   21.558 123421.10  9627.26 132439.41 16817.98 119025.60 11741.31  565.880   36.803  539.367   26.810 26.51349 45.53238 
1 1 1   19   11    8 o  285.778   15.646 33372.63  3616.81 33372.63  3616.81   0.0000   0.0000  285.778   15.646  ?   ?  0.000000 15.64627 
1 1 1   19   11    9 o  337.789   11.743 46437.70  3220.81 45668.95  4557.89 47204.46  4551.96  334.126   16.855  340.159   16.481 -6.033478 23.57311 
1 1 1   19   11   10 o  423.826   13.484 73190.57  4640.24 70669.12  6571.71 75697.61  6552.91  415.648   19.472  430.298   18.755 -14.65033 27.03571 
1 1 1   19   11   11 o  170.929   9.1582 11917.69  1266.43 11135.94  2355.85 12235.42  1501.90  164.066   17.979  173.048   10.742 -8.981781 20.94351 
1 1 1   19   11   12 o  397.902   16.722 64737.61  5402.67 59935.41  9570.57 66983.69  6545.30  378.266   31.445  404.139   19.946 -25.87308 37.23787 
1 1 1   19   11   13 o  490.580   24.717 99710.07  9814.09 101570.90 14059.40 97941.69 13705.79  489.948   35.584  481.217   35.324 8.731018 50.13973 
1 1 1   19   11   14 o  246.674   11.671 24819.33  2337.57 26170.05  2876.40 22192.22  4011.49  252.644   14.078  230.979   21.642 21.66534 25.81733 
1 1 1   19   11   15 o  168.358   8.7153 11575.19  1187.32 11871.98  1462.43 11001.26  2033.67  170.269   10.631  163.061   15.548 7.208038 18.83547 
1 1 1   19   11   16 o   93.227   7.8419  3566.06  588.091  4149.69  787.108  2828.53  884.812  100.350   9.7845   81.930   13.790 18.41993 16.90895 
1 1 1   19   11   17 f  151.359   8.2006  9381.51  1004.09 10473.73  1414.18  8271.14  1425.88  159.428   10.992  141.246   12.564 18.18170 16.69338 
1 1 1   19   11   18 o  225.041   9.4604 20770.39  1728.66 21676.14  2484.73 19920.75  2406.53  228.344   13.461  218.814   13.612 9.529358 19.14409 
1 1 1   19   11   19 o  123.279   8.4619  6261.95  841.890  8299.85  1168.10  4058.99  1214.48  141.568   10.231   97.094   15.960 44.47388 18.95732 
1 1 1   19   11   20 o   45.730   11.691  902.558  435.756  1037.48  502.926  496.224  872.771   48.945   12.585   43.046   16.966 5.899002 21.12420 
1 1 1   19   11   21 o   95.039   8.8662  3762.98  676.299  4205.05  861.146  3051.50  1092.47   99.928   10.784   82.794   16.824 17.13479 19.98399 
1 1 1   19   11   22 o  226.355   10.732 21506.79  1972.39 22599.00  2802.21 20434.35  2776.72  227.870   15.233  215.949   15.949 11.92101 22.05465 
1 1 1   19   11   23 o  144.384   9.9301  8832.33  1157.08  8502.38  1580.92  9212.99  1698.06  138.664   14.244  143.985   14.732 -5.320770 20.49173 
1 1 1   19   11   24 o   37.956   13.956  568.466  564.992  366.595  667.356  1079.30  1061.59   36.178   14.640   49.839   18.961 -13.66122 23.95560 
1 1 1   19   13    0 o  1083.25   52.351 484281.91 46046.29   0.0000   0.0000 484281.91 46046.29  ?   ?   1083.25   52.351 0.000000 52.35149 
1 1 1   19   13    1 o  1335.39   52.701 736193.81 57143.15 729132.88 98995.87 739722.00 69978.34  1302.61   94.234  1333.01   64.653 -30.40674 114.2806 
1 1 1   19   13    2 o  452.142   18.632 83176.19  6840.36 88968.30 11823.22 80261.98  8386.44  465.648   31.455  443.265   23.384 22.38351 39.19487 
1 1 1   19   13    3 o  282.035   15.206 32436.89  3469.26 38717.50  4953.08 26388.19  4860.77  307.770   19.927  253.352   23.912 54.41808 31.12655 
1 1 1   19   13    4 o  689.571   25.027 193959.80 14012.98 222825.50 24453.39 179846.00 17098.98  735.068   41.136  663.059   31.760 72.00964 51.96964 
1 1 1   19   13    5 o  627.618   24.218 160791.70 12341.72 171954.80 21565.96 155355.30 15049.78  644.409   41.436  616.008   30.089 28.40131 51.20817 
1 1 1   19   13    6 o  132.676   7.7822  7176.31  834.695  8482.48  1665.84  6738.45  964.508  143.643   14.480  128.430   9.3125 15.21361 17.21627 
1 1 1   19   13    7 o  345.830   26.253 49338.00  7316.84 49338.00  7316.84   0.0000   0.0000  345.830   26.253  ?   ?  0.000000 26.25281 
1 1 1   19   13    8 o  755.035   29.217 235023.91 17911.86 250625.09 31212.23 227363.00 21871.89  766.808   50.411  739.510   36.425 27.29742 62.19403 
1 1 1   19   13    9 o  1055.00   42.497 468116.00 36404.48 473424.31 63260.68 465487.59 44513.80  1019.49   76.989  1041.13   52.830 -21.63739 93.37144 
1 1 1   19   13   10 o  261.210   14.738 27920.65  3113.02 28000.35  4532.01 27849.46  4283.45  260.408   21.630  259.929   20.461 0.4789734 29.77396 
1 1 1   19   13   11 o  394.753   16.981 63719.00  5443.00 64827.13  6665.64 61501.45  9429.40  396.948   20.753  383.657   30.522 13.29120 36.90877 
1 1 1   19   13   12 o  373.988   15.952 57195.42  4844.13 57218.51  5937.96 57149.49  8375.82  372.861   19.683  370.061   28.084 2.799927 34.29523 
1 1 1   19   13   13 o  132.054   6.6745  7108.11  713.347  5978.42  962.108  8487.36  1063.08  120.754   9.8996  144.103   9.1328 -23.34917 13.46890 
1 1 1   19   13   14 o  208.998   8.4133 17782.30  1427.72 17614.00  2011.62 17953.11  2026.67  207.371   11.998  209.368   11.971 -1.997223 16.94908 
1 1 1   19   13   15 o  322.756   12.861 42647.24  3370.44 37715.82  4789.66 47484.47  4743.70  301.237   19.690  339.010   17.291 -37.77295 26.20458 
1 1 1   19   13   16 o  314.424   12.191 40574.12  3112.44 44068.91  4441.18 37201.01  4363.17  325.682   16.852  298.640   18.079 27.04245 24.71510 
1 1 1   19   13   17 o  144.091   7.8449  8506.28  914.369  8376.49  1266.11  8647.77  1321.92  142.353   11.040  144.580   11.352 -2.227173 15.83507 
1 1 1   19   13   18 o  204.208   9.4031 17122.19  1559.13 20116.12  2222.74 14222.27  2187.57  220.069   12.491  184.068   14.761 36.00090 19.33650 
1 1 1   19   13   19 o  139.335   8.6254  8005.03  971.034  8241.52  1291.68  7697.69  1472.52  140.587   11.414  135.088   13.610 5.498016 17.76273 
1 1 1   19   13   20 o  107.962   8.5210  4828.94  740.892  5300.90  938.407  4047.86  1207.21  112.618   10.379   96.339   15.994 16.27953 19.06625 
1 1 1   19   13   21 o   89.275   9.0277  3333.72  645.411  3707.78  800.639  2639.55  1090.68   93.659   10.721   76.223   17.924 17.43536 20.88558 
1 1 1   19   13   22 o   73.157   10.495  2292.30  605.556  2548.04  693.088  1467.31  1244.84   76.838   11.459   58.070   20.804 18.76868 23.75140 
1 1 1   19   13   23 o   36.050   13.221  489.254  506.601  734.480  559.120 -635.1919  1197.27   41.462   13.996   36.651   16.972 4.810974 21.99865 
1 1 1   19   13   24 o   36.493   12.708  562.670  461.903  487.902  503.220  962.715  1164.00   35.447   13.145   48.460   19.432 -13.01339 23.46040 
1 1 1   19   15    0 o  201.999   12.631 16651.42  2061.27   0.0000   0.0000 16651.42  2061.27  ?   ?   201.999   12.631 0.000000 12.63089 
1 1 1   19   15    1 o  139.618   8.8356  7950.71  996.490  7505.14  1801.28  8147.22  1196.21  134.768   16.828  141.207   10.508 -6.439728 19.83930 
1 1 1   19   15    2 f  854.628   34.038 299607.59 23620.28 325123.81 40904.59 286843.00 28931.28  880.199   57.551  832.648   42.939 47.55096 71.80396 
1 1 1   19   15    3 o  1212.55   59.040 618221.81 58128.29 666630.62 82268.01 569959.00 82143.76  1236.95   82.382  1136.21   89.769 100.7408 121.8411 
1 1 1   19   15    4 o  519.625   25.729 110494.80 10855.60 115991.20 15416.79 105089.70 15288.29  529.199   36.094  503.142   37.696 26.05695 52.18998 
1 1 1   19   15    5 o  347.349   17.941 49338.55  5042.59 48990.21  7409.59 49639.07  6882.18  344.615   26.688  347.320   24.562 -2.705780 36.27080 
1 1 1   19   15    6 o  431.967   14.896 76040.37  5224.50 99161.95  9297.26 65369.53  6316.05  491.958   23.275  399.984   19.448 91.97461 30.33036 
1 1 1   19   15    7 o  754.216   37.222 236986.30 22794.40 238266.50 32344.81 235723.09 32128.59  744.310   53.884  740.360   53.813 3.949036 76.15364 
1 1 1   19   15    8 o  542.687   26.822 121324.10 11818.87 127334.50 16836.28 115484.70 16595.13  550.834   37.873  523.803   39.305 27.03107 54.58307 
1 1 1   19   15    9 o  517.743   26.180 110769.50 10969.89 110317.70 15652.46 111205.70 15378.69  511.806   37.935  514.284   37.077 -2.478424 53.04479 
1 1 1   19   15   10 f  248.377   14.774 25269.89  2966.03 22455.67  4353.72 27707.27  4051.75  232.477   23.382  259.322   19.383 -26.84523 30.37087 
1 1 1   19   15   11 o  503.360   20.935 104139.30  8556.36 98237.01 15110.41 106925.00 10381.04  480.260   39.088  508.676   25.134 -28.41592 46.47153 
1 1 1   19   15   12 o  364.269   15.418 54283.62  4560.39 56195.47  8223.29 53434.48  5480.34  366.516   27.840  360.269   18.800 6.246552 33.59322 
1 1 1   19   15   13 o  497.447   21.105 102136.90  8524.58 92013.70 15125.82 106848.80 10319.53  460.414   40.886  507.090   25.063 -46.67606 47.95658 
1 1 1   19   15   14 o   31.073   10.209  376.462  297.874  1221.29  361.854 -1399.4840  524.642   54.106   8.5183   17.827   8.8979 36.27840 12.31802 
1 1 1   19   15   15 o  288.708   11.572 34135.91  2712.68 36662.99  3879.62 31718.62  3794.42  297.580   16.116  276.425   16.988 21.15448 23.41638 
1 1 1   19   15   16 o  117.398   7.3373  5644.55  695.907  4820.72  937.765  6654.31  1038.20  107.862   10.855  127.034   10.150 -19.17223 14.86106 
1 1 1   19   15   17 o   64.458   8.1410  1726.29  416.580  1559.49  509.464  2062.81  723.643   60.703   10.729   69.458   13.316 -8.754978 17.10017 
1 1 1   19   15   18 o  182.979   8.8134 13747.18  1309.43 13739.82  1832.49 13754.86  1871.78  181.498   12.511  181.493   12.783 0.5523682E-02 17.88671 
1 1 1   19   15   19 o   96.789   8.4392  3880.11  656.593  4341.11  792.571  2871.54  1172.31  102.114   9.6744   80.237   18.388 21.87729 20.77748 
1 1 1   19   15   20 o   20.600   9.0125 -58.3097  286.729 -148.7534  303.317  701.409  879.091   19.819   8.9315   45.621   17.279 -25.80163 19.45083 
1 1 1   19   15   21 f  168.955   9.6152 11933.15  1313.61 13105.88  1803.30 10607.30  1917.41  175.203   12.764  155.831   15.353 19.37163 19.96603 
1 1 1   19   15   22 o   85.479   9.7272  3108.85  663.101  2995.43  761.474  3464.73  1348.82   83.103   11.601   84.754   19.934 -1.651436 23.06424 
1 1 1   19   15   23 o   63.892   11.362  1811.95  567.854  2254.30  654.172  459.698  1143.76   71.249   11.715   43.978   18.596 27.27111 21.97831 
1 1 1   19   17    0 o  829.829   40.910 285906.41 27564.65   0.0000   0.0000 285906.41 27564.65  ?   ?   829.829   40.910 0.000000 40.90962 
1 1 1   19   17    1 o  264.010   15.570 28491.40  3322.83 27205.30  4727.83 29746.81  4671.08  256.928   22.903  268.965   21.570 -12.03714 31.46127 
1 1 1   19   17    2 o  174.887   13.017 12516.81  1835.14 15785.05  2558.98  9056.34  2633.16  196.137   16.214  147.101   22.782 49.03561 27.96267 
1 1 1   19   17    3 o  540.260   27.546 120257.00 12043.43 119727.50 16909.23 120802.00 17157.44  535.102   39.191  537.343   39.604 -2.241760 55.71658 
1 1 1   19   17    4 o  897.790   44.564 338782.81 32486.39 336366.41 46030.51 341180.81 45855.38  875.876   65.191  882.918   64.408 -7.041870 91.64160 
1 1 1   19   17    5 o  202.512   13.081 16773.03  2139.39 16717.77  3132.60 16821.33  2928.78  201.291   19.407  202.139   18.034 -0.8473816 26.49231 
1 1 1   19   17    6 o  270.778   15.590 30010.59  3413.24 29923.35  4940.73 30090.24  4720.87  269.143   22.823  270.117   21.708 -0.9743652 31.49820 
1 1 1   19   17    7 f  407.080   16.888 67691.68  5582.15 65152.86  9991.01 68843.90  6730.70  395.252   31.390  409.986   20.219 -14.73434 37.33775 
1 1 1   19   17    8 o  408.410   17.426 68200.46  5778.79 65760.55 10335.57 69310.08  6970.05  396.387   32.396  410.548   20.979 -14.16086 38.59549 
1 1 1   19   17    9 o  245.125   12.112 24486.79  2410.64 19867.73  4505.74 26339.18  2853.35  217.861   25.984  253.701   13.904 -35.83957 29.47013 
1 1 1   19   17   10 o  692.053   29.389 199294.41 16514.11 177276.20 28939.93 209925.91 20109.61  629.813   57.215  706.648   35.048 -76.83490 67.09655 
1 1 1   19   17   11 o  464.670   19.507 88745.64  7359.85 85599.80 13121.20 90189.73  8890.05  448.347   36.356  466.574   23.542 -18.22733 43.31285 
1 1 1   19   17   12 o   55.151   12.572  1291.47  550.452  861.560  1266.61  1391.57  611.185   54.398   20.708   57.219   13.392 -2.820450 24.66090 
1 1 1   19   17   13 o  158.607   9.8646 10297.48  1264.11 10905.68  2685.31 10124.33  1432.79  160.996   21.046  157.058   11.311 3.937546 23.89267 
1 1 1   19   17   14 o  258.563   12.436 27401.54  2610.84 30226.11  5137.43 26418.05  3031.49  267.213   23.932  252.962   14.824 14.25053 28.15099 
1 1 1   19   17   15 o  198.344   10.655 16172.13  1709.69 25281.98  3702.55 13703.31  1927.48  245.228   18.737  181.926   13.137 63.30205 22.88307 
1 1 1   19   17   16 f  312.354   14.194 40498.45  3599.78 47398.75  6959.63 37978.10  4206.12  328.441   26.318  300.427   17.316 28.01385 31.50371 
1 1 1   19   17   17 o   70.270   13.359  2117.35  734.345 -4790.5420  2420.42  2817.68  770.671   41.159   20.287   81.697   11.973 -40.53771 23.55716 
1 1 1   19   17   18 o   26.519   12.525 -773.9947  707.581  731.176  2962.97 -865.0250  728.664   69.214   29.620   26.424   12.548 42.79006 32.16816 
1 1 1   19   17   19 f  126.779   13.213  6825.50  1340.13 10105.80  4044.03  6420.84  1420.39  137.988   35.791  122.345   14.586 15.64304 38.64848 
1 1 1   19   17   20 f   24.991   9.3545  197.743  255.998  243.436  264.691 -463.7957  1007.15   26.437   9.5774   35.406   16.084 -8.969110 18.71915 
1 1 1   19   17   21 o  128.168   9.0383  6884.21  934.575  6795.95  1222.79  7008.20  1449.25  125.800   12.121  126.404   14.376 -0.6038513 18.80407 
1 1 1   19   17   22 o   96.195   9.8275  3956.98  756.818  4508.30  905.163  2676.18  1379.65  102.049   11.103   72.352   21.735 29.69704 24.40638 
1 1 1   19   17   23 o   55.338   22.958  1380.38  1693.46   0.0000   0.0000  1380.38  1693.46  ?   ?    55.338   22.958 0.000000 22.95755 
1 1 1   19   19    0 o  694.470   50.788 206644.59 28439.92   0.0000   0.0000 206644.59 28439.92  ?   ?   694.470   50.788 0.000000 50.78777 
1 1 1   19   19    1 o  772.141   56.721 258504.59 35312.75   0.0000   0.0000 258504.59 35312.75  ?   ?   772.141   56.721 0.000000 56.72139 
1 1 1   19   19    2 o  208.947   13.953 17872.10  2353.60 17091.22  3395.89 18593.92  3264.95  203.256   20.873  212.391   19.138 -9.134552 28.31847 
1 1 1   19   19    3 o  588.800   29.729 143632.20 14167.27 144795.91 20146.86 142493.91 19926.06  585.026   42.708  580.408   42.579 4.617798 60.30651 
1 1 1   19   19    4 o  363.781   19.636 54318.10  5778.42 53574.02  8285.90 55022.60  8062.51  359.076   28.658  364.265   27.461 -5.189362 39.69142 
1 1 1   19   19    5 o  611.249   30.874 155258.09 15273.61 155138.20 21727.42 155375.30 21475.08  603.537   44.654  604.368   44.065 -0.8306885 62.73541 
1 1 1   19   19    6 o  300.255   11.558 36715.82  2817.75 47041.78  5276.31 32595.89  3332.81  338.385   19.283  282.274   14.591 56.11090 24.18156 
1 1 1   19   19    7 o  428.104   19.401 75115.20  6743.78 64348.10 12074.17 79996.94  8130.08  389.093   38.733  440.436   22.812 -51.34259 44.95113 
1 1 1   19   19    8 o  173.383   9.5223 12271.75  1335.42 12705.57  2771.13 12140.53  1524.06  174.867   19.870  172.298   10.951 2.569031 22.68755 
1 1 1   19   19    9 o  467.982   19.290 89919.94  7330.05 90718.27 13137.16 89559.03  8832.82  462.865   35.219  465.237   23.458 -2.372437 42.31623 
1 1 1   19   19   10 o  197.262   10.784 15906.77  1720.71 13202.46  3483.69 16779.45  1978.96  176.850   24.954  202.441   12.095 -25.59154 27.73034 
1 1 1   19   19   11 o  517.366   20.618 110450.10  8661.39 122467.70 15475.86 104968.90 10451.59  535.128   35.824  501.500   25.754 33.62827 44.12044 
1 1 1   19   19   12 o  440.451   18.677 80046.47  6679.35 78797.84 12065.20 80598.26  8020.56  427.217   35.092  439.825   22.534 -12.60861 41.70393 
1 1 1   19   19   13 o   70.422   11.992  2086.59  661.104  6849.18  2535.36  1739.15  684.794  125.235   25.792   63.897   13.616 61.33780 29.16514 
1 1 1   19   19   14 o   68.291   12.878  1980.64  687.881 -4865.8101  2212.61  2713.18  723.746   38.587   19.090   80.541   11.384 -41.95404 22.22661 
1 1 1   19   19   15 o   91.503   12.537  3517.95  906.988  6165.74  3001.86  3251.94  951.457  115.193   31.285   87.591   13.838 27.60208 34.20876 
1 1 1   19   19   16 o  259.598   13.464 28088.01  2828.31 25934.59  6057.66 28688.30  3198.31  235.431   32.560  261.482   15.129 -26.05084 35.90319 
1 1 1   19   19   17 o   64.827   17.063  1850.16  910.413  1979.17  3294.92  1839.50  947.292   79.392   32.381   64.627   17.584 14.76563 36.84743 
1 1 1   19   19   18 f   84.385   14.176  3076.35  936.886  5199.57  3176.33  2874.02  980.509  101.409   33.338   81.069   15.460 20.34008 36.74784 
1 1 1   19   19   19 o   82.652   15.512  3015.03  1002.80  5250.65  4191.02  2879.26  1032.80   98.269   37.606   80.386   16.379 17.88238 41.01796 
1 1 1   19   19   20 o   88.987   16.955  3587.98  1180.31   0.0000   0.0000  3587.98  1180.31  ?   ?    88.987   16.955 0.000000 16.95462 
1 1 1   19   19   21 o   83.517   20.431  3420.93  1374.09   0.0000   0.0000  3420.93  1374.09  ?   ?    83.517   20.431 0.000000 20.43098 
1 1 1   19   19   22 o   74.732   21.006  2928.24  1327.65   0.0000   0.0000  2928.24  1327.65  ?   ?    74.732   21.006 0.000000 21.00566 
1 1 1   19   21    0 o  942.234   48.048 380629.00 36637.57   0.0000   0.0000 380629.00 36637.57  ?   ?   942.234   48.048 0.000000 48.04794 
1 1 1   19   21    1 f  277.565   16.538 31587.16  3710.43   0.0000   0.0000 31587.16  3710.43  ?   ?   277.565   16.538 0.000000 16.53847 
1 1 1   19   21    2 o  319.978   14.984 41787.61  3892.93 42481.07  6831.79 41454.17  4737.27  319.776   26.552  317.746   18.441 2.030609 32.32758 
1 1 1   19   21    3 o  418.947   17.908 71810.83  6091.68 72504.23 10597.35 71468.63  7444.56  416.487   31.572  416.547   22.090 -0.6048584E-01 38.53232 
1 1 1   19   21    4 o  266.651   13.579 29074.72  2930.22 30864.00  5089.08 28187.33  3583.93  272.938   23.183  262.016   16.937 10.92239 28.71043 
1 1 1   19   21    5 o  225.009   14.922 20765.01  2710.79 19591.24  4000.88 21761.16  3685.75  216.980   23.063  229.467   19.981 -12.48720 30.51445 
1 1 1   19   21    6 o  253.319   15.828 26336.01  3239.28 26014.14  4778.72 26609.63  4406.01  250.064   23.823  253.467   21.615 -3.403107 32.16784 
1 1 1   19   21    7 o  271.873   11.524 30129.07  2544.05 34710.35  4906.58 28444.59  2975.22  289.739   20.999  263.556   13.953 26.18320 25.21154 
1 1 1   19   21    8 o   80.580   8.5221  2671.81  549.127  4582.31  1468.76  2361.37  592.063  104.244   18.003   75.505   9.8955 28.73955 20.54361 
1 1 1   19   21    9 o  297.346   12.550 36100.17  3030.00 38683.10  5821.89 35140.63  3548.46  304.718   23.717  292.641   14.984 12.07742 28.05391 
1 1 1   19   21   10 o  153.555   9.5879  9646.31  1189.46 11135.79  2684.50  9282.45  1326.81  162.923   20.765  150.444   10.937 12.47932 23.46890 
1 1 1   19   21   11 o   85.504   10.219  3025.64  695.385  2520.34  1783.34  3116.25  755.162   78.148   24.924   86.670   10.977 -8.522255 27.23408 
1 1 1   19   21   12 o  325.918   14.866 43756.37  3934.17 45414.44  7617.44 43153.21  4594.34  324.303   29.243  322.274   17.624 2.029175 34.14301 
1 1 1   19   21   13 o   50.052   13.596  1067.41  566.897 -6004.0791  2690.66  1395.90  579.914   42.163   20.893   57.127   12.817 -14.96326 24.51162 
1 1 1   19   21   14 o  137.547   10.899  7827.89  1207.32  7774.69  3569.02  7834.77  1282.96  128.195   33.804  137.436   11.605 -9.241043 35.74108 
1 1 1   19   21   15 o  141.751   10.843  8330.67  1238.53 10873.55  3373.70  7934.58  1331.51  154.116   27.991  137.996   12.003 16.11942 30.45599 
1 1 1   19   21   16 o  183.275   11.578 13979.48  1714.06 16156.77  4256.05 13557.96  1872.65  185.967   29.143  179.948   12.902 6.018997 31.87169 
1 1 1   19   21   17 o  121.236   12.707  6211.85  1232.29  8698.76  3706.28  5902.76  1306.62  129.796   34.555  117.680   13.946 12.11561 37.26271 
1 1 1   19   21   18 o   26.279   12.669 -1172.4990  806.464 -1205.2600  4011.07 -1171.1190  823.276   66.890   31.007   26.688   12.850 40.20232 33.56398 
1 1 1   19   21   19 o   70.324   17.995  2276.68  1031.79  4291.98  3979.26  2131.42  1068.32   89.262   35.880   67.864   18.761 21.39787 40.48870 
1 1 1   19   21   20 o   74.429   19.136  2650.84  1162.91   0.0000   0.0000  2650.84  1162.91  ?   ?    74.429   19.136 0.000000 19.13625 
1 1 1   19   21   21 o   89.641   19.586  3989.83  1385.75   0.0000   0.0000  3989.83  1385.75  ?   ?    89.641   19.586 0.000000 19.58623 
1 1 1   19   23    0 o  466.995   24.785 90318.81  9364.37   0.0000   0.0000 90318.81  9364.37  ?   ?   466.995   24.785 0.000000 24.78479 
1 1 1   19   23    1 o  156.534   14.283 10087.03  1795.38   0.0000   0.0000 10087.03  1795.38  ?   ?   156.534   14.283 0.000000 14.28299 
1 1 1   19   23    2 o  106.161   12.059  4653.16  1021.04  5831.51  1921.11  4189.26  1205.38  117.414   20.918  100.117   15.315 17.29750 25.92479 
1 1 1   19   23    3 o  616.610   26.168 157482.41 13101.39 150211.91 22791.69 161070.41 16011.06  586.833   48.260  619.861   31.920 -33.02740 57.86141 
1 1 1   19   23    4 o  457.474   19.819 85989.44  7361.92 78843.19 12812.92 89511.32  8994.90  430.333   37.030  464.910   23.909 -34.57642 44.07804 
1 1 1   19   23    5 o  258.164   16.590 27407.70  3459.19 26324.58  5106.72 28326.08  4702.33  250.836   25.425  261.128   22.395 -10.29185 33.88121 
1 1 1   19   23    6 o  520.364   27.394 113041.60 11533.50 113265.90 16579.86 112831.20 16054.49  512.936   40.129  512.861   38.841 0.7562256E-01 55.84754 
1 1 1   19   23    7 o  547.699   23.340 124227.30 10379.63 116495.00 18613.82 127716.70 12504.22  515.338   44.934  552.331   27.973 -36.99353 52.92940 
1 1 1   19   23    8 f  357.287   15.636 52342.40  4535.97 52243.74  8545.67 52381.11  5352.17  351.068   30.275  356.237   18.568 -5.168915 35.51532 
1 1 1   19   23    9 f  287.055   13.161 33727.34  3067.66 36730.48  6118.89 32719.10  3545.40  295.163   25.790  281.866   15.551 13.29715 30.11616 
1 1 1   19   23   10 f  146.042   9.7576  8745.05  1150.40  9739.21  3386.13  8615.33  1223.16  149.025   29.028  144.842   10.471 4.182281 30.85843 
1 1 1   19   23   11 o  363.130   16.283 54599.24  4800.96 58352.72  9312.22 53240.40  5602.99  364.487   31.783  356.635   19.422 7.851868 37.24791 
1 1 1   19   23   12 o  308.751   14.496 39472.69  3634.06 43319.08  7274.58 38193.59  4195.01  313.448   28.909  302.074   17.174 11.37387 33.62530 
1 1 1   19   23   13 o  185.895   11.274 14284.66  1693.69 12450.96  4341.41 14613.84  1839.44  162.420   34.010  187.771   12.130 -25.35083 36.10804 
1 1 1   19   23   14 o  252.188   13.006 26481.23  2654.18 31343.41  5754.96 25167.61  2991.31  263.815   27.259  244.763   15.126 19.05222 31.17436 
1 1 1   19   23   15 o  105.841   12.571  4724.00  1059.25  1493.09  4008.46  4966.56  1098.30   81.162   34.585  108.517   12.705 -27.35444 36.84502 
1 1 1   19   23   16 o   29.892   13.232 -175.2498  635.144 -3142.5759  3868.78 -93.0585  643.880   60.795   28.882   31.033   13.543 29.76274 31.89949 
1 1 1   19   23   17 o  123.331   13.581  6506.32  1337.44  7294.33  4910.22  6443.18  1390.00  110.976   41.081  122.417   14.251 -11.44050 43.48243 
1 1 1   19   23   18 o   57.126   18.444  1450.17  974.323 -1410.5129  4921.66  1566.85  993.995   70.095   33.083   59.013   18.585 11.08219 37.94613 
1 1 1   19   23   19 o   86.625   17.329  3467.49  1176.30   0.0000   0.0000  3467.49  1176.30  ?   ?    86.625   17.329 0.000000 17.32900 
1 1 1   19   23   20 f   71.305   20.256  2561.50  1227.82   0.0000   0.0000  2561.50  1227.82  ?   ?    71.305   20.256 0.000000 20.25617 
1 1 1   19   23   21 o   53.732   23.153  1117.04  1833.34   0.0000   0.0000  1117.04  1833.34  ?   ?    53.732   23.153 0.000000 23.15251 
1 1 1   19   25    0 o  680.176   35.476 196575.80 19525.03   0.0000   0.0000 196575.80 19525.03  ?   ?   680.176   35.476 0.000000 35.47638 
1 1 1   19   25    1 o  198.483   15.797 16233.45  2524.85   0.0000   0.0000 16233.45  2524.85  ?   ?   198.483   15.797 0.000000 15.79735 
1 1 1   19   25    2 o  226.910   16.525 21214.98  3023.63   0.0000   0.0000 21214.98  3023.63  ?   ?   226.910   16.525 0.000000 16.52464 
1 1 1   19   25    3 o  605.611   25.694 152491.91 12634.42 147468.30 22072.75 154940.00 15408.29  577.910   47.458  606.214   31.411 -28.30371 56.91151 
1 1 1   19   25    4 o  306.694   18.710 38832.04  4636.88 41199.52  6857.17 36837.45  6294.02  313.098   27.244  296.237   26.445 16.86075 37.96825 
1 1 1   19   25    5 o  235.627   16.866 22910.42  3205.49 20440.81  4825.85 24860.35  4288.14  219.455   27.700  244.202   21.857 -24.74670 35.28476 
1 1 1   19   25    6 o  166.731   15.267 11493.61  2043.87 11501.81  3315.11 11488.58  2595.95  164.159   25.716  165.717   19.677 -1.557343 32.38026 
1 1 1   19   25    7 o  358.923   17.730 53114.36  5167.17 46897.00  9818.24 55496.08  6076.80  326.894   37.680  365.377   20.567 -38.48291 42.92770 
1 1 1   19   25    8 o  365.809   14.428 54987.79  4285.60 71914.13  8520.68 49255.84  4958.43  412.368   25.574  344.716   17.776 67.65115 31.14487 
1 1 1   19   25    9 o  164.813   8.9540 11123.62  1193.75 24710.38  3672.24  9518.22  1262.31  242.985   18.758  152.202   10.274 90.78365 21.38758 
1 1 1   19   25   10 f  292.958   14.762 35599.06  3500.16 33711.89  7377.10 36147.31  3976.21  273.093   34.005  294.340   16.706 -21.24683 37.88749 
1 1 1   19   25   11 o  148.776   10.962  9148.42  1314.89  7581.87  4099.02  9328.11  1388.25  125.651   37.400  150.111   11.477 -24.46058 39.12114 
1 1 1   19   25   12 o  129.869   10.633  6987.78  1111.44  8529.88  3451.91  6809.42  1173.96  134.288   32.095  127.993   11.416 6.295403 34.06469 
1 1 1   19   25   13 o  185.058   11.741 14234.58  1755.15 14473.25  4599.35 14193.90  1898.85  173.068   33.942  184.408   12.760 -11.33937 36.26162 
1 1 1   19   25   14 o   65.536   13.942  1864.39  719.108  3246.07  3193.46  1790.59  738.063   87.141   32.950   64.079   14.521 23.06190 36.00804 
1 1 1   19   25   15 o   78.795   14.196  2692.00  874.818  6161.07  4180.11  2533.10  894.629  107.514   38.165   76.120   15.008 31.39354 41.00965 
1 1 1   19   25   16 o  193.166   13.291 15848.54  2072.00 15050.99  6027.92 15955.40  2206.44  153.713   45.254  193.249   14.160 -39.53644 47.41734 
1 1 1   19   25   17 o   25.765   12.400 -1068.0730  765.011 -6318.1401  4959.75 -940.1239  774.277   59.142   29.130   26.783   12.779 32.35835 31.80961 
1 1 1   19   25   18 o   68.567   18.801  2229.47  1078.06   0.0000   0.0000  2229.47  1078.06  ?   ?    68.567   18.801 0.000000 18.80125 
1 1 1   19   25   19 o   47.547   19.051  789.098  1117.87   0.0000   0.0000  789.098  1117.87  ?   ?    47.547   19.051 0.000000 19.05065 
1 1 1   19   25   20 o   46.285   20.055  517.937  1391.07   0.0000   0.0000  517.937  1391.07  ?   ?    46.285   20.055 0.000000 20.05501 
1 1 1   19   27    0 o  138.990   17.100  8061.39  1889.07   0.0000   0.0000  8061.39  1889.07  ?   ?   138.990   17.100 0.000000 17.09953 
1 1 1   19   27    1 o  386.503   22.647 62266.73  7076.08   0.0000   0.0000 62266.73  7076.08  ?   ?   386.503   22.647 0.000000 22.64654 
1 1 1   19   27    2 o  295.626   19.449 36257.56  4642.45   0.0000   0.0000 36257.56  4642.45  ?   ?   295.626   19.449 0.000000 19.44901 
1 1 1   19   27    3 o  159.801   14.380 10554.58  1845.90  9709.30  3491.11 10882.60  2174.77  149.027   29.891  161.772   16.802 -12.74536 34.28950 
1 1 1   19   27    4 f  255.760   15.469 26986.38  3197.41 25309.09  5735.17 27742.81  3851.50  242.529   29.747  258.467   18.474 -15.93782 35.01680 
1 1 1   19   27    5 o  268.451   16.217 29810.34  3518.30 27906.54  6186.79 30720.30  4277.25  253.780   30.644  271.411   19.540 -17.63132 36.34388 
1 1 1   19   27    6 o  179.884   15.449 13439.82  2234.53 17554.36  4378.68 11990.97  2598.33  201.338   27.504  168.751   19.311 32.58691 33.60588 
1 1 1   19   27    7 o   90.476   19.806  3550.42  1414.68  6389.92  3019.05  2751.54  1601.36  118.886   30.967   79.764   23.280 39.12187 38.74144 
1 1 1   19   27    8 o  215.113   12.130 19097.40  2109.99 22628.59  5413.27 18464.80  2291.21  225.266   30.369  211.119   13.436 14.14667 33.20882 
1 1 1   19   27    9 o  273.060   13.383 30847.47  2967.18 35518.62  6599.35 29663.90  3321.89  282.144   29.231  266.549   15.414 15.59430 33.04600 
1 1 1   19   27   10 o   19.793   9.1382 -274.0760  343.257 -276.9112  2685.07 -274.0288  346.096   62.137   27.372   19.901   9.1839 42.23539 28.87123 
1 1 1   19   27   11 o  160.286   10.485 10631.85  1357.04 13139.95  4718.19 10405.65  1416.92  163.204   36.517  158.387   11.087 4.816864 38.16326 
1 1 1   19   27   12 o  210.256   12.274 18433.05  2086.30 18811.83  5558.59 18370.94  2250.86  194.098   36.613  209.421   13.306 -15.32280 38.95546 
1 1 1   19   27   13 o  187.887   12.151 14772.33  1843.77 12386.18  5340.50 15095.23  1964.56  148.685   42.248  189.612   12.836 -40.92686 44.15499 
1 1 1   19   27   14 f  123.065   12.121  6394.56  1195.43  7930.26  4501.86  6278.05  1239.95  118.206   39.715  121.688   12.738 -3.482216 41.70762 
1 1 1   19   27   15 o   72.709   16.527  2372.62  953.571 -3071.7839  5236.77  2559.33  969.784   69.121   33.050   75.667   16.268 -6.545670 36.83669 
1 1 1   19   27   16 f   80.346   18.426  2984.44  1176.47  1496.73  5754.88  3049.32  1201.85   81.231   37.473   81.132   18.636 0.9944153E-01 41.85146 
1 1 1   19   27   17 o   59.185   19.739  1624.45  1112.11   0.0000   0.0000  1624.45  1112.11  ?   ?    59.185   19.739 0.000000 19.73932 
1 1 1   19   27   18 o   53.416   19.841  1271.05  1147.30   0.0000   0.0000  1271.05  1147.30  ?   ?    53.416   19.841 0.000000 19.84088 
1 1 1   19   27   19 o   40.382   18.253 -94.8316  1277.93   0.0000   0.0000 -94.8316  1277.93  ?   ?    40.382   18.253 0.000000 18.25293 
1 1 1   19   29    0 o  187.040   18.070 14657.64  2710.08   0.0000   0.0000 14657.64  2710.08  ?   ?   187.040   18.070 0.000000 18.06973 
1 1 1   19   29    1 o  179.162   18.460 13482.41  2646.94   0.0000   0.0000 13482.41  2646.94  ?   ?   179.162   18.460 0.000000 18.45970 
1 1 1   19   29    2 o  201.856   18.563 17102.27  3008.38   0.0000   0.0000 17102.27  3008.38  ?   ?   201.856   18.563 0.000000 18.56286 
1 1 1   19   29    3 o  163.703   18.519 11307.65  2418.31   0.0000   0.0000 11307.65  2418.31  ?   ?   163.703   18.519 0.000000 18.51924 
1 1 1   19   29    4 o  157.612   15.903 10402.70  2007.40 10858.00  4114.87 10260.51  2299.60  153.594   33.902  155.674   18.559 -2.079315 38.64939 
1 1 1   19   29    5 o   57.837   19.871  1305.15  1127.56  2637.41  3236.11  1121.05  1202.94   86.366   33.046   56.122   20.404 30.24372 38.83814 
1 1 1   19   29    6 o  243.649   17.089 24947.18  3359.41 31925.09  6434.21 22332.06  3938.93  266.735   30.243  228.212   21.511 38.52280 37.11243 
1 1 1   19   29    7 o  218.078   16.991 20058.48  2984.89 20609.28  5550.51 19834.38  3540.40  210.376   33.626  215.029   20.527 -4.652893 39.39630 
1 1 1   19   29    8 o  234.319   11.599 22672.22  2206.89 39173.41  6241.39 20314.36  2359.30  297.137   26.135  220.881   13.216 76.25629 29.28648 
1 1 1   19   29    9 o   76.564   9.9813  2452.19  605.753  9507.98  4286.90  2308.44  611.892  137.397   37.416   74.142   10.454 63.25565 38.84921 
1 1 1   19   29   10 o   86.435   10.548  3129.37  724.905  3581.78  4540.50  3117.54  734.324   95.030   38.282   86.227   10.720 8.803627 39.75429 
1 1 1   19   29   11 o   34.700   12.313  439.902  435.048  926.801  3706.92  433.102  438.075   75.662   32.761   34.605   12.347 41.05721 35.01051 
1 1 1   19   29   12 f  107.454   11.141  4851.88  957.907  8572.17  5322.98  4727.36  973.804  120.941   43.053  105.934   11.506 15.00694 44.56374 
1 1 1   19   29   13 f   67.493   14.610  2007.81  777.446 -2465.8379  5551.67  2097.30  785.183   73.279   34.750   69.055   14.467 4.223656 37.64090 
1 1 1   19   29   14 o   63.420   17.103  1823.59  900.881  514.780  4940.46  1868.60  916.243   76.701   35.139   64.156   17.226 12.54457 39.13376 
1 1 1   19   29   15 o   47.883   18.242  831.268  983.483   0.0000   0.0000  831.268  983.483  ?   ?    47.883   18.242 0.000000 18.24240 
1 1 1   19   29   16 o  138.880   14.952  8607.29  1659.54   0.0000   0.0000  8607.29  1659.54  ?   ?   138.880   14.952 0.000000 14.95235 
1 1 1   19   29   17 o   68.628   21.100  2429.79  1289.91   0.0000   0.0000  2429.79  1289.91  ?   ?    68.628   21.100 0.000000 21.09973 
1 1 1   19   29   18 o   53.955   22.352  1304.87  1602.03   0.0000   0.0000  1304.87  1602.03  ?   ?    53.955   22.352 0.000000 22.35199 
1 1 1   19   31    0 f  244.363   20.250 25522.21  3981.63   0.0000   0.0000 25522.21  3981.63  ?   ?   244.363   20.250 0.000000 20.24964 
1 1 1   19   31    1 o  195.383   20.281 16375.72  3170.53   0.0000   0.0000 16375.72  3170.53  ?   ?   195.383   20.281 0.000000 20.28065 
1 1 1   19   31    2 o  317.364   22.726 43542.91  5817.50   0.0000   0.0000 43542.91  5817.50  ?   ?   317.364   22.726 0.000000 22.72610 
1 1 1   19   31    3 o  245.036   20.658 25786.61  4071.77   0.0000   0.0000 25786.61  4071.77  ?   ?   245.036   20.658 0.000000 20.65781 
1 1 1   19   31    4 o  261.521   17.816 28997.56  3760.68 39309.88  7398.02 25404.29  4367.00  292.089   31.702  241.676   22.513 50.41287 38.88291 
1 1 1   19   31    5 o   82.823   24.004  3079.17  1707.88  3494.95  4356.71  3003.68  1856.47   95.451   37.816   82.037   25.328 13.41443 45.51437 
1 1 1   19   31    6 o  148.495   19.297  9557.18  2271.74 15346.38  5336.87  8276.08  2510.55  174.428   38.694  135.956   23.598 38.47186 45.32247 
1 1 1   19   31    7 o  137.502   20.604  8317.98  2229.47  9741.78  4708.64  7906.54  2531.19  136.118   39.974  131.967   24.525 4.151428 46.89779 
1 1 1   19   31    8 o  167.919   20.587 12398.94  2748.07 17721.03  6143.90 11067.89  3072.56  180.915   42.540  155.699   25.162 25.21544 49.42429 
1 1 1   19   31    9 o  146.597   11.085  8968.81  1309.67 17030.84  6253.53  8598.99  1339.37  172.934   44.329  143.337   11.608 29.59744 45.82367 
1 1 1   19   31   10 o   75.837   10.587  2430.86  634.149 -4031.7100  4799.58  2545.68  639.757   65.578   31.431   77.690   10.403 -12.11195 33.10778 
1 1 1   19   31   11 o   45.086   13.777  868.710  550.898  6822.58  5888.69  816.142  553.325  107.561   43.502   43.981   13.868 63.57965 45.65940 
1 1 1   19   31   12 o   30.839   13.342 -29.4185  613.768 -5213.0459  6154.13   22.659  616.844   69.283   33.771   31.556   13.510 37.72705 36.37300 
1 1 1   19   31   13 o   55.007   15.364  1358.67  712.588  2203.29  6846.14  1349.42  716.479   85.754   40.006   54.826   15.438 30.92787 42.88153 
1 1 1   19   31   14 o  108.175   14.430  5180.07  1235.85   0.0000   0.0000  5180.07  1235.85  ?   ?   108.175   14.430 0.000000 14.43014 
1 1 1   19   31   15 o  100.346   15.243  4581.58  1202.86   0.0000   0.0000  4581.58  1202.86  ?   ?   100.346   15.243 0.000000 15.24255 
1 1 1   19   31   16 o   58.501   19.060  1706.14  1039.07   0.0000   0.0000  1706.14  1039.07  ?   ?    58.501   19.060 0.000000 19.05956 
1 1 1   19   33    0 o   46.296   20.169 -95.3921  1422.34   0.0000   0.0000 -95.3921  1422.34  ?   ?    46.296   20.169 0.000000 20.16857 
1 1 1   19   33    1 o  324.880   24.352 47041.48  6377.20   0.0000   0.0000 47041.48  6377.20  ?   ?   324.880   24.352 0.000000 24.35228 
1 1 1   19   33    2 o  340.396   24.987 51927.75  6857.92   0.0000   0.0000 51927.75  6857.92  ?   ?   340.396   24.987 0.000000 24.98704 
1 1 1   19   33    3 o  120.365   25.893  6719.11  2455.53   0.0000   0.0000  6719.11  2455.53  ?   ?   120.365   25.893 0.000000 25.89323 
1 1 1   19   33    4 o  127.158   27.548  7620.77  2762.10   0.0000   0.0000  7620.77  2762.10  ?   ?   127.158   27.548 0.000000 27.54835 
1 1 1   19   33    5 o  160.182   22.945 11554.01  2899.04 12950.87  6822.84 11246.26  3202.51  144.460   48.890  155.734   26.260 -11.27414 55.49663 
1 1 1   19   33    6 o   95.962   28.278  4438.12  2352.80 16248.19  5877.80  2184.75  2567.47  170.180   42.628   75.411   29.280 94.76916 51.71534 
1 1 1   19   33    7 f  194.802   22.363 17118.31  3473.10 20092.86  7854.44 16395.35  3872.24  173.690   51.788  187.298   26.177 -13.60809 58.02759 
1 1 1   19   33    8 o  163.729   23.921 12409.06  3086.32 14324.36  7369.36 12001.67  3398.74  141.961   50.644  158.007   27.490 -16.04536 57.62361 
1 1 1   19   33    9 o   84.070   9.6423  2969.71  646.303  4374.98  5406.69  2949.34  650.971   94.868   40.290   83.744   9.7564 11.12389 41.45421 
1 1 1   19   33   10 o   33.514   12.816  345.634  486.513 13357.57  7328.68  288.037  487.588  128.931   49.634   32.491   12.720 96.44016 51.23821 
1 1 1   19   33   11 o  104.563   11.658  4674.33  972.924  6913.62  6897.48  4628.87  982.750   99.420   43.829  103.961   11.854 -4.541237 45.40334 
1 1 1   19   33   12 o  128.890   12.673  7189.31  1309.15   0.0000   0.0000  7189.31  1309.15  ?   ?   128.890   12.673 0.000000 12.67305 
1 1 1   19   33   13 o   76.170   14.776  2640.99  880.902   0.0000   0.0000  2640.99  880.902  ?   ?    76.170   14.776 0.000000 14.77631 
1 1 1   19   33   14 o   32.176   14.481 -211.0191  794.439   0.0000   0.0000 -211.0191  794.439  ?   ?    32.176   14.481 0.000000 14.48142 
1 1 1   19   33   15 o  126.184   16.332  7611.47  1634.08   0.0000   0.0000  7611.47  1634.08  ?   ?   126.184   16.332 0.000000 16.33209 
1 1 1   19   35    0 o   73.996   27.783  2288.78  2261.51   0.0000   0.0000  2288.78  2261.51  ?   ?    73.996   27.783 0.000000 27.78279 
1 1 1   19   35    1 o   85.012   30.891  3373.72  2756.57   0.0000   0.0000  3373.72  2756.57  ?   ?    85.012   30.891 0.000000 30.89067 
1 1 1   19   35    2 o  103.582   32.701  5534.20  3075.83   0.0000   0.0000  5534.20  3075.83  ?   ?   103.582   32.701 0.000000 32.70064 
1 1 1   19   35    3 o   65.054   27.292  1015.66  2432.45   0.0000   0.0000  1015.66  2432.45  ?   ?    65.054   27.292 0.000000 27.29193 
1 1 1   19   35    4 o   64.154   26.799  1037.49  2330.30   0.0000   0.0000  1037.49  2330.30  ?   ?    64.154   26.799 0.000000 26.79883 
1 1 1   19   35    5 o  120.347   30.712  7445.75  3011.08   0.0000   0.0000  7445.75  3011.08  ?   ?   120.347   30.712 0.000000 30.71202 
1 1 1   19   35    6 o  200.565   25.592 19202.76  4072.69 30752.59  9771.46 16774.52  4480.40  195.573   57.628  180.516   31.726 15.05701 65.78379 
1 1 1   19   35    7 o  109.234   32.497  6521.03  3095.39 -2260.7310  8178.74  7989.21  3344.14   82.368   39.865  120.678   33.123 -38.31036 51.83010 
1 1 1   19   35    8 o   63.331   27.323  896.662  2559.75 -7570.9551  7921.92  1883.82  2704.84   71.846   35.645   70.495   29.111 1.351471 46.02211 
1 1 1   19   35    9 o  111.467   10.476  5270.25  937.033 13715.47  7442.43  5134.22  944.550  120.333   48.823  109.897   10.722 10.43599 49.98603 
1 1 1   19   35   10 o   22.070   9.9226 -156.0674  371.855   0.0000   0.0000 -156.0674  371.855  ?   ?    22.070   9.9226 0.000000 9.922629 
1 1 1   19   35   11 o   66.804   12.580  1988.87  657.334   0.0000   0.0000  1988.87  657.334  ?   ?    66.804   12.580 0.000000 12.58004 
1 1 1   19   35   12 o   41.204   15.351  668.597  687.855   0.0000   0.0000  668.597  687.855  ?   ?    41.204   15.351 0.000000 15.35134 
1 1 1   19   35   13 o   35.370   14.405  344.302  650.926   0.0000   0.0000  344.302  650.926  ?   ?    35.370   14.405 0.000000 14.40542 
1 1 1   19   37    0 f  221.118   30.033 25163.52  5252.67   0.0000   0.0000 25163.52  5252.67  ?   ?   221.118   30.033 0.000000 30.03340 
1 1 1   19   37    1 o   50.724   23.831 -1576.0010  2501.80   0.0000   0.0000 -1576.0010  2501.80  ?   ?    50.724   23.831 0.000000 23.83086 
1 1 1   19   37    2 f   92.228   34.697  4775.66  3530.65   0.0000   0.0000  4775.66  3530.65  ?   ?    92.228   34.697 0.000000 34.69711 
1 1 1   19   37    3 o  130.262   36.623 10127.29  4035.14   0.0000   0.0000 10127.29  4035.14  ?   ?   130.262   36.623 0.000000 36.62283 
1 1 1   19   37    4 o   77.468   31.825  2748.44  3211.43   0.0000   0.0000  2748.44  3211.43  ?   ?    77.468   31.825 0.000000 31.82451 
1 1 1   19   37    5 o   69.437   30.091  1523.64  3132.74   0.0000   0.0000  1523.64  3132.74  ?   ?    69.437   30.091 0.000000 30.09131 
1 1 1   19   37    6 o   72.219   30.223  2272.00  2971.61   0.0000   0.0000  2272.00  2971.61  ?   ?    72.219   30.223 0.000000 30.22334 
1 1 1   19   37    7 o   79.084   31.808  3488.45  3129.27   0.0000   0.0000  3488.45  3129.27  ?   ?    79.084   31.808 0.000000 31.80780 
1 1 1   19   37    8 o   95.488   36.071  6563.61  3824.72   0.0000   0.0000  6563.61  3824.72  ?   ?    95.488   36.071 0.000000 36.07124 
1 1 1   19   37    9 o   41.388   11.747  764.184  413.097   0.0000   0.0000  764.184  413.097  ?   ?    41.388   11.747 0.000000 11.74657 
1 1 1   19   37   10 o   36.027   12.367  543.997  436.703   0.0000   0.0000  543.997  436.703  ?   ?    36.027   12.367 0.000000 12.36729 
1 1 1   19   37   11 o   82.801   12.011  3086.52  783.946   0.0000   0.0000  3086.52  783.946  ?   ?    82.801   12.011 0.000000 12.01097 
1 1 1   19   39    0 o  106.018   36.801  7992.73  3872.14   0.0000   0.0000  7992.73  3872.14  ?   ?   106.018   36.801 0.000000 36.80138 
1 1 1   19   39    1 o   60.733   28.142 -22.5549  3299.46   0.0000   0.0000 -22.5549  3299.46  ?   ?    60.733   28.142 0.000000 28.14202 
1 1 1   19   39    2 o   85.671   35.902  5129.25  4201.76   0.0000   0.0000  5129.25  4201.76  ?   ?    85.671   35.902 0.000000 35.90174 
1 1 1   19   39    3 o   72.830   31.774  2700.40  3541.47   0.0000   0.0000  2700.40  3541.47  ?   ?    72.830   31.774 0.000000 31.77382 
1 1 1   19   39    4 o  120.423   41.128 12147.92  4828.81   0.0000   0.0000 12147.92  4828.81  ?   ?   120.423   41.128 0.000000 41.12840 
1 1 1   19   39    5 o   66.732   30.632  1577.46  3780.14   0.0000   0.0000  1577.46  3780.14  ?   ?    66.732   30.632 0.000000 30.63239 
1 1 1   19   39    6 o   74.106   32.841  3701.92  3922.84   0.0000   0.0000  3701.92  3922.84  ?   ?    74.106   32.841 0.000000 32.84134 
1 1 1   19   39    7 o   46.373   23.065 -4389.6221  3399.69   0.0000   0.0000 -4389.6221  3399.69  ?   ?    46.373   23.065 0.000000 23.06478 
1 1 1   19   39    8 o   61.319   29.103  1260.35  3909.96   0.0000   0.0000  1260.35  3909.96  ?   ?    61.319   29.103 0.000000 29.10269 
1 1 1   19   41    0 o   88.145   40.599 12793.51  6717.46   0.0000   0.0000 12793.51  6717.46  ?   ?    88.145   40.599 0.000000 40.59917 
1 1 1   19   41    1 o   69.423   34.060  4048.13  6569.57   0.0000   0.0000  4048.13  6569.57  ?   ?    69.423   34.060 0.000000 34.06038 
1 1 1   19   41    2 o   47.338   23.533 -3732.5339  3521.51   0.0000   0.0000 -3732.5339  3521.51  ?   ?    47.338   23.533 0.000000 23.53327 
1 1 1   19   41    3 o   71.058   32.593  4572.63  4268.54   0.0000   0.0000  4572.63  4268.54  ?   ?    71.058   32.593 0.000000 32.59320 
1 1 1   19   41    4 o   64.486   30.845  2878.53  4570.23   0.0000   0.0000  2878.53  4570.23  ?   ?    64.486   30.845 0.000000 30.84519 
1 1 1   20    0    1 o  235.447   12.992 22734.06  2466.40 24951.50  3503.61 20555.68  3472.62  245.766   17.771  222.205   19.598 0.000000 0.000000 
1 1 1   20    0    3 o  164.055   9.8551 11049.21  1301.91 12134.96  1878.83 10046.33  1805.71  171.187   13.720  155.201   14.628 0.000000 0.000000 
1 1 1   20    0    4 o  683.888   33.298 192040.30 18390.17 188744.30 26045.61 195317.09 25969.81  673.767   48.175  685.905   47.141 0.000000 0.000000 
1 1 1   20    0    5 f  206.477   11.228 17468.69  1869.73 21122.67  2676.04 13983.62  2613.46  226.599   14.686  182.884   18.000 0.000000 0.000000 
1 1 1   20    0    6 o  295.440   14.855 35728.16  3543.04 44222.10  5041.42 27438.64  4980.38  328.208   19.065  256.310   24.441 0.000000 0.000000 
1 1 1   20    0    7 o  934.890   45.363 359495.31 34250.34 345089.59 48469.11 373863.19 48405.54  908.942   66.491  947.736   63.559 0.000000 0.000000 
1 1 1   20    0    8 o  1148.09   80.418 554443.38 74121.39   0.0000   0.0000 554443.38 74121.39  1148.09   80.418  1148.09   80.418 0.000000 0.000000 
1 1 1   20    0    9 o  469.406   22.919 90313.19  8688.10 101070.60 12321.64 79676.52 12252.30  494.979   30.935  437.641   34.994 0.000000 0.000000 
1 1 1   20    0   10 o   36.451   13.249  717.929  360.584  1660.08  637.205  274.105  437.345   58.673   15.481   23.716   13.794 0.000000 0.000000 
1 1 1   20    0   11 o  368.388   18.521 55694.22  5508.00 60887.94  7827.19 50599.41  7752.31  383.600   25.385  348.490   27.804 0.000000 0.000000 
1 1 1   20    0   12 o  568.525   40.673 135591.41 18554.74 135591.41 18554.74   0.0000   0.0000  568.525   40.673  568.525   40.673 0.000000 0.000000 
1 1 1   20    0   13 o  508.646   25.372 106681.10 10419.19 104128.10 14777.34 109205.00 14692.93  498.121   37.006  510.815   35.830 0.000000 0.000000 
1 1 1   20    0   14 o   50.759   13.944  1258.48  496.949  2514.67  740.524  229.267  670.295   75.323   13.362   26.443   16.223 0.000000 0.000000 
1 1 1   20    0   15 o   14.707   10.355 -560.6399  485.549 -723.3235  739.695 -437.4704  643.625   18.894   13.190   18.981   13.015 0.000000 0.000000 
1 1 1   20    0   16 o  117.946   10.732  5800.54  1008.26  6873.63  1551.40  5015.88  1326.63  126.990   15.689  107.342   16.345 0.000000 0.000000 
1 1 1   20    0   17 o   60.043   14.955  1716.64  630.879  2512.04  989.098  1171.10  819.137   71.485   19.705   44.207   20.559 0.000000 0.000000 
1 1 1   20    0   18 o   98.803   11.645  4148.25  900.150  3925.28  1477.15  4279.96  1135.30   89.659   23.483   98.918   15.203 0.000000 0.000000 
1 1 1   20    0   19 o   35.938   19.249  770.212  770.133  1910.69  1819.71  521.366  850.010   55.442   29.623   32.521   19.087 0.000000 0.000000 
1 1 1   20    0   20 o  160.519   13.037 10805.36  1673.47 12522.30  2940.14  9982.57  2035.32  168.166   22.696  152.411   16.987 0.000000 0.000000 
1 1 1   20    0   21 f   90.225   17.099  3718.79  1121.66  6638.03  2488.82  2974.73  1256.49  113.056   31.345   75.180   23.472 0.000000 0.000000 
1 1 1   20    0   22 o   77.245   37.377  4161.53  2732.76  4161.53  2732.76   0.0000   0.0000   77.245   37.377   77.245   37.377 0.000000 0.000000 
1 1 1   20    0   23 o   35.618   23.735 -243.1730  1859.86 -243.1730  1859.86   0.0000   0.0000   35.618   23.735   35.618   23.735 0.000000 0.000000 
1 1 1   20    0   24 o   37.259   21.683  843.006  1081.64   0.0000   0.0000  843.006  1081.64   37.259   21.683   37.259   21.683 0.000000 0.000000 
1 1 1   20    0   25 o   37.452   20.854  952.175  940.875   0.0000   0.0000  952.175  940.875   37.452   20.854   37.452   20.854 0.000000 0.000000 
1 1 1   20    2    0 o  278.055   14.770 31562.30  3322.64 29807.79  4691.81 33327.47  4706.05  269.322   21.638  285.045   20.469 -15.72293 29.78573 
1 1 1   20    2    1 o  490.595   16.826 98030.09  6702.58 98865.80  9464.86 97189.42  9492.96  491.902   23.697  487.677   23.973 4.224731 33.70885 
1 1 1   20    2    2 o  380.209   13.569 58795.60  4188.86 60230.10  5912.02 57349.46  5935.94  384.487   18.937  374.628   19.582 9.858795 27.24117 
1 1 1   20    2    3 o  216.982   8.1307 19124.64  1432.48 18197.76  2023.96 20054.96  2027.70  211.262   11.847  221.853   11.294 -10.59123 16.36744 
1 1 1   20    2    4 o  427.269   14.830 74232.23  5145.09 71516.27  7282.95 76938.21  7269.58  418.470   21.507  434.670   20.597 -16.19919 29.77904 
1 1 1   20    2    5 o  535.318   18.220 116583.60  7919.31 115866.00 11206.69 117299.30 11192.52  533.103   25.890  536.407   25.698 -3.303833 36.47812 
1 1 1   20    2    6 o  239.990   8.8922 23393.09  1732.77 23532.06  2459.75 23256.18  2441.37  240.314   12.650  238.899   12.631 1.415039 17.87647 
1 1 1   20    2    7 o  385.054   13.258 60252.23  4145.21 64988.20  5875.02 55557.34  5849.49  399.734   18.101  369.019   19.592 30.71439 26.67412 
1 1 1   20    2    8 o  588.490   19.758 140947.00  9441.02 142267.50 13363.43 139631.09 13339.84  590.523   27.870  585.004   28.084 5.519104 39.56576 
1 1 1   20    2    9 o  1093.56   36.551 491246.81 32454.95 491968.69 45910.94 490525.59 45885.53  1087.89   51.975  1086.27   52.023 1.620605 73.53786 
1 1 1   20    2   10 o  492.609   16.745 98884.22  6697.78 97332.74  9484.94 100427.30  9459.29  487.784   23.948  495.546   23.509 -7.761536 33.55866 
1 1 1   20    2   11 o  409.030   14.324 68168.18  4757.40 62657.43  6739.22 73642.34  6716.81  390.729   21.323  424.489   19.488 -33.75928 28.88630 
1 1 1   20    2   12 o  562.258   22.476 129640.00 10260.98 126995.80 17835.31 130948.20 12545.07  549.138   40.281  563.719   27.408 -14.58118 48.72113 
1 1 1   20    2   13 o  291.859   10.888 34676.62  2580.30 32973.27  3659.19 36361.31  3639.10  283.719   15.949  298.117   15.083 -14.39828 21.95113 
1 1 1   20    2   14 o  386.975   13.820 61108.49  4342.33 62164.29  6154.86 60062.17  6127.19  388.833   19.557  382.121   19.816 6.711945 27.84157 
1 1 1   20    2   15 o  213.754   8.8213 18595.66  1531.04 18350.73  2173.98 18836.67  2156.55  211.687   12.707  214.519   12.434 -2.832642 17.77852 
1 1 1   20    2   16 o   88.178   8.2096  3192.12  581.037  2558.20  821.558  3826.53  821.863   78.021   13.454   96.287   10.693 -18.26551 17.18596 
1 1 1   20    2   17 o  412.247   14.890 69805.62  4984.08 67435.84  7055.96 72165.48  7041.17  402.039   21.695  416.862   20.802 -14.82269 30.05684 
1 1 1   20    2   18 o  103.914   7.8231  4429.87  655.230  4193.94  925.210  4667.26  928.066  100.465   11.552  106.172   10.921 -5.707298 15.89731 
1 1 1   20    2   19 o  119.919   8.7583  5917.99  846.899  6167.09  1207.22  5676.61  1188.39  121.630   12.397  116.551   12.766 5.078712 17.79529 
1 1 1   20    2   20 o   71.442   14.532  2205.23  814.276  637.515  1808.36  2603.93  911.960   57.657   23.805   77.655   15.006 -19.99862 28.14052 
1 1 1   20    2   21 o   51.717   16.970  1110.94  823.141  1950.32  1917.58  921.327  911.380   69.822   25.704   49.512   17.794 20.31073 31.26254 
1 1 1   20    2   22 o  136.628   11.165  7839.86  1227.77  7571.58  1537.05  8312.80  2040.78  132.765   14.494  136.699   18.891 -3.933899 23.81050 
1 1 1   20    2   23 o   75.556   13.630  2508.40  805.394  3910.01  1096.16  864.043  1187.29   94.184   14.824   50.706   19.849 43.47798 24.77346 
1 1 1   20    2   24 o   52.660   18.003  1244.16  925.182  775.604  1017.26  3486.69  2225.45   46.877   18.367   79.329   27.879 -32.45158 33.38521 
1 1 1   20    2   25 o   50.734   17.373  1216.56  861.646  1216.56  861.646   0.0000   0.0000   50.734   17.373  ?   ?  0.000000 17.37324 
1 1 1   20    4    0 o  933.243   66.450 371999.81 50024.40   0.0000   0.0000 371999.81 50024.40  ?   ?   933.243   66.450 0.000000 66.44997 
1 1 1   20    4    1 o  235.356   13.024 22594.99  2479.28 24209.80  3518.59 21002.68  3494.01  243.152   17.949  226.230   19.203 16.92284 26.28486 
1 1 1   20    4    2 o  426.307   14.768 73923.80  5111.93 73544.05  7234.29 74302.53  7224.44  424.799   20.974  426.994   20.837 -2.195557 29.56505 
1 1 1   20    4    3 o  915.091   34.694 343082.31 25778.67 368079.19 44719.97 330642.31 31547.63  938.113   59.010  896.064   43.360 42.04926 73.22765 
1 1 1   20    4    4 o  339.766   11.952 46912.25  3297.44 47562.32  4677.89 46270.25  4648.81  341.951   16.848  336.836   17.053 5.114105 23.97209 
1 1 1   20    4    5 o  483.909   16.796 95229.80  6599.60 95222.27  9352.05 95237.28  9314.55  483.475   23.823  483.520   23.725 -0.4483032E-01 33.62161 
1 1 1   20    4    6 o  1089.12   35.778 484979.91 31639.66 505840.50 44764.55 464155.31 44725.94  1108.68   49.727  1061.38   51.898 47.30188 71.87589 
1 1 1   20    4    7 o  477.190   18.935 92634.46  7336.54 97293.80 12702.46 90302.16  8987.08  487.051   32.303  470.887   23.505 16.16409 39.94993 
1 1 1   20    4    8 o  736.110   24.539 220883.30 14666.98 226053.00 20761.94 215733.30 20722.62  743.216   34.404  725.925   35.157 17.29053 49.19039 
1 1 1   20    4    9 f  896.674   30.137 329331.59 21941.91 335078.19 31051.29 323600.41 31009.85  900.550   42.465  884.735   43.167 15.81439 60.55288 
1 1 1   20    4   10 o  828.319   27.718 281620.19 18642.19 282992.09 26385.05 280252.69 26343.08  825.776   39.351  821.709   39.483 4.066528 55.74426 
1 1 1   20    4   11 o  261.191   11.299 27760.58  2396.19 26317.05  2941.41 30608.68  4131.62  253.731   14.336  273.080   18.747 -19.34886 23.60011 
1 1 1   20    4   12 o  447.539   18.102 81861.06  6578.06 81876.88 11486.91 81853.35  8024.03  443.329   32.129  446.784   22.119 -3.455292 39.00637 
1 1 1   20    4   13 f  248.985   9.6863 25224.04  1958.24 24151.94  2784.26 26273.53  2754.73  242.921   14.177  253.502   13.431 -10.58116 19.52926 
1 1 1   20    4   14 o  151.364   7.4364  9315.73  913.948  8890.21  1296.41  9736.18  1288.66  147.337   10.914  154.288   10.346 -6.951324 15.03891 
1 1 1   20    4   15 o  375.053   13.444 57444.51  4094.08 55672.93  5805.16 59197.58  5774.78  367.532   19.523  379.685   18.732 -12.15332 27.05563 
1 1 1   20    4   16 o  373.830   13.517 57151.60  4103.03 56337.75  5820.70 57955.38  5784.58  369.224   19.484  374.636   19.079 -5.411835 27.27021 
1 1 1   20    4   17 o  107.558   7.7721  4736.88  674.199  4659.87  970.546  4808.69  937.249  106.146   11.442  107.947   10.840 -1.801453 15.76104 
1 1 1   20    4   18 o   29.596   12.512   30.439  517.592  576.675  1801.79 -18.6917  540.368   58.018   23.836   29.541   12.646 28.47737 26.98320 
1 1 1   20    4   19 o  194.638   11.211 15648.38  1764.29 17037.31  3522.25 15183.18  2038.44  198.343   22.255  191.077   13.220 7.266464 25.88509 
1 1 1   20    4   20 o  206.519   10.719 17647.00  1791.27 18930.07  2250.38 15428.28  2959.25  212.952   13.078  188.950   19.572 24.00133 23.53943 
1 1 1   20    4   21 o  208.418   11.285 18092.40  1902.61 18351.70  2397.78 17651.59  3126.28  208.358   14.259  201.010   19.395 7.347076 24.07253 
1 1 1   20    4   22 o  186.785   9.8598 14522.40  1490.07 14134.96  2068.87 14940.01  2147.92  181.945   14.115  186.989   14.254 -5.044418 20.06009 
1 1 1   20    4   23 o  131.708   10.234  7308.38  1085.84  5105.54  1471.46  9942.08  1608.94  106.121   17.700  152.014   13.165 -45.89326 22.05965 
1 1 1   20    4   24 o   97.672   11.197  4122.68  871.940  4308.53  1186.43  3904.40  1285.78   97.309   15.539   90.882   18.060 6.427475 23.82488 
1 1 1   20    4   25 o   35.416   14.115  387.788  610.367  606.714  697.127 -331.1919  1263.34   39.949   15.326   38.758   17.761 1.191433 23.45884 
1 1 1   20    6    0 o  902.781   63.595 343995.50 46318.77   0.0000   0.0000 343995.50 46318.77  ?   ?   902.781   63.595 0.000000 63.59465 
1 1 1   20    6    1 o  627.350   30.517 161001.41 15545.14 158715.09 22001.29 163280.59 21967.05  618.856   44.072  627.938   43.350 -9.082520 61.81881 
1 1 1   20    6    2 o  1010.25   48.789 421806.09 40020.89 429703.91 56613.07 413916.69 56583.12  1008.37   69.570  988.823   70.946 19.54846 99.36446 
1 1 1   20    6    3 o  644.656   20.003 169179.70 10470.34 157638.30 14803.57 180732.70 14811.04  621.305   29.344  665.509   27.409 -44.20441 40.15395 
1 1 1   20    6    4 o  353.604   13.135 50816.73  3771.15 50940.79  5335.52 50692.89  5330.89  353.352   18.663  352.487   18.693 0.8655090 26.41430 
1 1 1   20    6    5 o  561.355   18.523 128182.30  8442.63 135441.00 11953.36 120956.70 11926.04  576.526   25.535  544.711   26.964 31.81458 37.13637 
1 1 1   20    6    6 o  1131.14   43.889 524982.38 40310.16 520822.69 69789.77 527064.88 49380.08  1111.73   77.804  1130.39   53.800 -18.66101 94.59315 
1 1 1   20    6    7 o  733.500   24.676 219235.80 14696.67 234080.30 20803.26 204445.50 20765.27  756.696   33.859  705.892   36.353 50.80377 49.67841 
1 1 1   20    6    8 o  857.653   29.034 300600.19 20218.86 305813.81 28612.45 295400.19 28575.15  862.288   40.866  847.299   41.535 14.98895 58.26833 
1 1 1   20    6    9 o  430.949   14.497 75581.35  5072.81 78255.80  7193.79 72936.09  7154.44  438.004   20.227  422.793   20.841 15.21078 29.04269 
1 1 1   20    6   10 o  512.917   17.265 107319.00  7190.48 104467.60 10189.72 110147.30 10148.15  504.769   24.862  518.461   24.106 -13.69244 34.62981 
1 1 1   20    6   11 o  225.609   8.6362 20693.37  1582.03 19278.44  2256.04 22062.32  2219.08  217.197   12.850  232.514   11.793 -15.31650 17.44072 
1 1 1   20    6   12 o  488.980   16.797 97656.84  6669.00 95249.10  9455.03 100040.70  9407.94  480.750   24.301  493.502   23.478 -12.75153 33.78977 
1 1 1   20    6   13 o  330.182   12.097 44420.37  3243.26 43979.45  4609.88 44852.51  4563.79  327.457   17.400  330.767   17.051 -3.309448 24.36191 
1 1 1   20    6   14 f   74.400   7.3451  2272.59  437.926  2798.27  600.781  1676.61  639.691   82.421   9.1306   62.970   12.944 19.45118 15.84017 
1 1 1   20    6   15 o  127.344   7.3257  6617.48  754.284  7043.10  1118.43  6262.39  1021.57  131.038   10.603  123.554   10.276 7.483978 14.76538 
1 1 1   20    6   16 o  264.825   12.067 28650.01  2594.66 28584.25  4676.89 28679.26  3118.60  261.710   22.219  264.190   14.595 -2.479950 26.58354 
1 1 1   20    6   17 o  263.595   12.411 28475.09  2656.36 25471.58  4817.48 29787.24  3184.17  244.904   24.557  268.723   14.649 -23.81895 28.59417 
1 1 1   20    6   18 o  261.044   15.079 28319.11  3182.57 31729.20  4782.44 25608.59  4263.76  273.052   21.751  245.208   21.637 27.84387 30.68015 
1 1 1   20    6   19 o  154.481   9.6226  9831.78  1201.00 10210.48  1529.48  9222.74  1939.60  156.783   12.108  147.535   16.472 9.247894 20.44387 
1 1 1   20    6   20 o  125.875   8.5958  6533.47  873.294  6780.81  1246.18  6294.80  1224.16  127.270   12.209  122.499   12.482 4.770317 17.46010 
1 1 1   20    6   21 o   74.496   11.532  2359.65  675.025  3350.43  894.991  1052.41  1028.04   88.649   12.805   52.470   18.894 36.17896 22.82477 
1 1 1   20    6   22 o  114.030   9.8722  5441.50  905.032  6470.58  1185.62  4004.61  1400.99  123.592   11.964   93.901   19.027 29.69149 22.47581 
1 1 1   20    6   23 o   89.783   10.975  3443.73  783.401  3029.93  1011.67  4063.49  1238.10   82.055   15.757   94.818   16.691 -12.76272 22.95382 
1 1 1   20    6   24 f   44.406   15.388  842.525  676.863  1960.60  865.891 -913.9849  1085.31   64.499   16.475   33.007   15.566 31.49157 22.66502 
1 1 1   20    6   25 o   71.635   15.246  2450.20  859.591  2044.61  971.800  3908.52  1842.74   63.506   18.014   80.450   25.300 -16.94455 31.05766 
1 1 1   20    8    0 o  353.482   18.130 50980.54  5186.21   0.0000   0.0000 50980.54  5186.21  ?   ?   353.482   18.130 0.000000 18.13047 
1 1 1   20    8    1 o  163.621   8.6720 10905.15  1148.01 11463.28  1992.19 10627.67  1404.68  167.253   14.823  161.370   10.783 5.883713 18.33003 
1 1 1   20    8    2 o  759.841   28.823 235673.59 17782.63 241105.91 30905.78 232985.09 21742.22  762.802   50.179  754.441   35.493 8.361084 61.46265 
1 1 1   20    8    3 o  866.410   33.222 306820.00 23371.48 335754.81 40577.25 292455.69 28590.12  899.214   55.851  844.254   41.707 54.95978 69.70520 
1 1 1   20    8    4 o  493.329   24.059 99132.70  9637.07   0.0000   0.0000 99132.70  9637.07  ?   ?   493.329   24.059 0.000000 24.05855 
1 1 1   20    8    5 f  1313.52   62.667 715749.31 66836.70   0.0000   0.0000 715749.31 66836.70  ?   ?   1313.52   62.667 0.000000 62.66742 
1 1 1   20    8    6 o  712.768   23.969 206957.20 13871.86 221664.50 19620.04 192256.70 19615.52  736.570   32.806  684.722   35.403 51.84784 48.26536 
1 1 1   20    8    7 o  423.410   13.883 72883.24  4772.76 78051.63  6758.57 67741.91  6740.86  437.903   19.008  407.881   20.354 30.02167 27.84926 
1 1 1   20    8    8 o  718.458   24.271 210794.91 14158.82 212795.09 20037.22 208800.09 20010.00  719.766   34.285  712.909   34.568 6.856995 48.68707 
1 1 1   20    8    9 o  273.615   10.229 30438.93  2272.47 29339.98  3226.95 31520.10  3200.73  267.999   14.888  277.879   14.234 -9.879425 20.59721 
1 1 1   20    8   10 o  380.577   14.854 59033.48  4590.16 58838.03  5638.28 59417.61  7904.33  379.562   18.295  379.469   25.807 0.9249878E-01 31.63385 
1 1 1   20    8   11 o  450.886   15.260 82920.02  5586.59 74949.75  7920.71 90809.99  7880.71  426.828   22.939  470.951   20.609 -44.12299 30.83670 
1 1 1   20    8   12 o  249.438   11.101 25330.87  2248.29 27726.68  4071.15 24279.57  2696.83  259.506   19.463  243.650   13.687 15.85597 23.79361 
1 1 1   20    8   13 o  233.182   9.5208 22127.63  1802.64 23344.72  2576.38 20960.38  2523.08  238.869   13.337  226.238   13.801 12.63104 19.19204 
1 1 1   20    8   14 o  388.750   16.118 61845.18  5087.66 63790.06  9018.93 60937.41  6161.63  390.525   28.642  384.623   19.797 5.901947 34.81811 
1 1 1   20    8   15 o  446.200   18.367 81823.63  6654.20 81477.23 11743.21 81987.45  8075.84  438.123   33.259  444.786   22.434 -6.662811 40.11746 
1 1 1   20    8   16 o  208.023   10.589 17706.88  1782.73 18056.40  2209.26 17054.46  3018.32  209.652   13.043  202.500   18.564 7.151993 22.68739 
1 1 1   20    8   17 o  140.320   9.3869  8078.06  1063.32  8668.16  1345.94  7098.19  1734.40  145.005   11.527  129.933   16.835 15.07201 20.40334 
1 1 1   20    8   18 o  104.039   8.0378  4448.33  673.735  4125.45  945.748  4781.03  960.023   99.421   11.955  107.299   11.184 -7.877029 16.37057 
1 1 1   20    8   19 o  214.970   9.5424 18978.79  1665.61 20914.41  2397.31 17172.46  2315.87  224.121   13.232  202.637   14.164 21.48341 19.38354 
1 1 1   20    8   20 o  106.618   9.1559  4709.91  784.939  4046.42  1088.81  5427.87  1132.63   97.359   14.191  113.585   12.487 -16.22637 18.90235 
1 1 1   20    8   21 o   73.999   11.317  2328.43  658.341  2521.51  869.537  2069.09  1007.75   76.046   14.613   67.975   17.981 8.070419 23.17046 
1 1 1   20    8   22 o   45.196   14.538  863.715  605.773  1261.72  769.606  215.555  982.124   53.534   16.267   41.077   17.293 12.45744 23.74172 
1 1 1   20    8   23 o   61.381   13.762  1686.32  668.945  1867.94  833.672  1357.98  1120.93   63.840   16.089   55.820   19.769 8.020374 25.48829 
1 1 1   20    8   24 o   43.167   14.273  817.944  581.935  758.965  677.559  983.785  1136.17   42.776   15.346   49.850   19.444 -7.074230 24.77020 
1 1 1   20   10    0 o  758.072   36.698 235284.91 22588.83   0.0000   0.0000 235284.91 22588.83  ?   ?   758.072   36.698 0.000000 36.69819 
1 1 1   20   10    1 o  326.390   17.163 43446.32  4532.64   0.0000   0.0000 43446.32  4532.64  ?   ?   326.390   17.163 0.000000 17.16343 
1 1 1   20   10    2 o  745.127   51.874 230003.30 31188.94   0.0000   0.0000 230003.30 31188.94  ?   ?   745.127   51.874 0.000000 51.87394 
1 1 1   20   10    3 o  360.243   20.613 52984.84  6004.42   0.0000   0.0000 52984.84  6004.42  ?   ?   360.243   20.613 0.000000 20.61314 
1 1 1   20   10    4 o  883.561   33.687 318988.50 24167.47 345021.19 41990.34 306093.50 29552.97  911.800   57.003  863.958   42.128 47.84216 70.88083 
1 1 1   20   10    5 o  345.595   16.224 48566.43  4552.56 30724.73  8007.48 57087.96  5533.97  271.480   37.313  374.612   18.194 -103.1320 41.51193 
1 1 1   20   10    6 o  445.072   16.871 80584.91  6096.75 102524.30 10690.08 70008.82  7422.17  500.591   26.393  413.948   22.163 86.64392 34.46459 
1 1 1   20   10    7 o  484.656   17.130 95631.96  6740.94 108031.80  9536.32 83248.71  9529.95  514.557   22.825  450.600   26.160 63.95709 34.71760 
1 1 1   20   10    8 o  324.959   12.090 42954.12  3189.97 40205.75  3899.35 48515.30  5546.74  314.210   15.284  344.217   19.931 -30.00751 25.11659 
1 1 1   20   10    9 o  527.210   20.418 113644.40  8740.46 109348.20 10716.56 122180.70 15105.88  516.116   25.572  542.093   34.498 -25.97723 42.94277 
1 1 1   20   10   10 o  497.503   16.470 101009.90  6653.35 101670.60  9422.24 100352.90  9396.32  497.832   23.310  494.575   23.398 3.256165 33.02758 
1 1 1   20   10   11 o  895.872   35.765 334844.09 26016.18 336814.19 45245.18 333871.00 31798.78  870.837   64.445  888.386   44.083 -17.54944 78.08019 
1 1 1   20   10   12 o  249.330   11.379 25318.76  2303.58 24734.25  4174.95 25574.60  2762.08  244.582   21.233  250.044   13.656 -5.462265 25.24574 
1 1 1   20   10   13 o  107.158   11.291  4730.15  967.657  2723.39  1569.34  5961.12  1229.12   80.318   22.930  120.225   12.787 -39.90628 26.25451 
1 1 1   20   10   14 o   80.574   8.4801  2671.07  546.470  3667.73  656.088  413.241  987.493   94.539   8.6426   44.900   17.935 49.63885 19.90907 
1 1 1   20   10   15 o  245.675   11.343 24631.31  2262.65 24063.15  2798.68 25703.44  3844.52  242.044   14.304  249.071   19.157 -7.027573 23.90785 
1 1 1   20   10   16 o  231.058   9.3090 21778.27  1746.47 22283.33  2484.37 21284.83  2455.64  232.800   13.197  227.473   13.354 5.326950 18.77475 
1 1 1   20   10   17 o  130.188   7.9349  6941.36  834.777  8704.13  1163.65  5072.35  1198.21  145.516   9.9076  110.135   13.695 35.38026 16.90271 
1 1 1   20   10   18 o  304.059   11.642 38091.42  2874.27 42997.93  4118.31 33431.72  4013.39  321.078   15.797  281.706   17.635 39.37195 23.67537 
1 1 1   20   10   19 o  107.196   8.4956  4740.30  733.391  5937.27  990.883  3290.23  1090.62  119.632   10.301   87.256   15.983 32.37657 19.01471 
1 1 1   20   10   20 o   37.489   11.836  578.305  402.979  987.414  474.112 -486.5387  764.900   47.803   12.180   30.221   13.838 17.58155 18.43499 
1 1 1   20   10   21 o  119.034   8.8264  5880.69  847.013  5387.18  1110.40  6567.44  1309.88  112.732   12.332  124.231   13.187 -11.49914 18.05501 
1 1 1   20   10   22 o  135.166   9.7132  7650.96  1058.92  8528.52  1407.71  6507.18  1607.10  141.433   12.383  120.987   16.814 20.44553 20.88161 
1 1 1   20   10   23 o  125.304   10.086  6659.19  1017.46  6867.31  1352.77  6388.10  1543.91  125.187   13.523  118.674   16.466 6.512764 21.30750 
1 1 1   20   10   24 o   35.586   13.346  465.892  521.581  315.952  586.502  1032.92  1140.55   34.143   13.757   50.003   19.487 -15.85997 23.85409 
1 1 1   20   12    0 o  271.766   14.941 30114.44  3284.29   0.0000   0.0000 30114.44  3284.29  ?   ?   271.766   14.941 0.000000 14.94096 
1 1 1   20   12    1 o  923.961   36.233 349240.81 27182.93 354646.59 47099.96 346540.91 33285.89  921.915   63.304  918.582   44.628 3.333313 77.45332 
1 1 1   20   12    2 o  460.672   22.860 86422.29  8550.85 95477.98 12123.74 77458.66 12061.95  482.594   31.105  433.936   34.519 48.65732 46.46621 
1 1 1   20   12    3 o  350.894   18.061 50219.08  5128.36 56623.12  7290.64 43947.00  7215.13  372.005   24.270  327.126   27.417 44.87930 36.61542 
1 1 1   20   12    4 o  805.791   28.141 265001.31 18412.28 323440.00 32058.04 236235.20 22491.98  885.578   44.728  759.441   36.475 126.1371 57.71501 
1 1 1   20   12    5 f  431.504   19.359 75816.71  6782.74 63512.92 11919.58 81708.65  8248.42  391.522   37.972  447.127   22.795 -55.60413 44.28860 
1 1 1   20   12    6 o  711.182   54.501 212748.30 31232.44   0.0000   0.0000 212748.30 31232.44  ?   ?   711.182   54.501 0.000000 54.50097 
1 1 1   20   12    7 o  629.720   24.885 162345.41 12724.10 161583.20 22199.43 162718.30 15527.89  621.203   44.302  629.154   30.396 -7.951050 53.72720 
1 1 1   20   12    8 o  426.392   21.514 74575.75  7424.28 77345.78 10592.29 71900.68 10409.15  432.093   30.384  416.357   31.012 15.73624 43.41620 
1 1 1   20   12    9 o  147.309   8.3356  8849.56  992.924 10673.67  1871.47  8134.93  1171.39  161.184   14.453  141.037   10.300 20.14648 17.74784 
1 1 1   20   12   10 o  264.567   12.264 28507.45  2634.49 21916.77  4763.07 31412.44  3162.24  229.296   26.045  277.225   14.095 -47.92909 29.61428 
1 1 1   20   12   11 o  318.201   13.619 41288.13  3518.64 39740.22  4308.90 44386.26  6095.99  311.323   17.111  327.805   23.050 -16.48199 28.70686 
1 1 1   20   12   12 o  434.959   22.394 78053.84  7881.94 77178.95 11326.93 78875.20 10974.90  428.632   32.794  433.962   31.358 -5.329865 45.37360 
1 1 1   20   12   13 o  338.440   13.476 46767.57  3703.31 44838.68  4548.67 50559.79  6377.89  330.405   17.013  349.408   22.602 -19.00220 28.28898 
1 1 1   20   12   14 o  419.917   14.966 72178.76  5102.65 72196.73  7241.82 72161.02  7190.92  417.656   21.427  417.607   21.277 0.4974365E-01 30.19659 
1 1 1   20   12   15 o  222.717   9.4604 20223.02  1710.81 20742.41  2419.63 19703.79  2419.27  224.710   13.321  218.922   13.678 5.788361 19.09303 
1 1 1   20   12   16 o  205.172   9.0715 17185.29  1511.24 17711.04  2155.71 16677.20  2119.20  207.321   12.869  201.114   13.048 6.206772 18.32680 
1 1 1   20   12   17 o  200.020   9.1208 16371.20  1481.31 17994.27  2110.99 14796.72  2079.15  208.620   12.520  188.775   13.657 19.84558 18.52717 
1 1 1   20   12   18 o  114.312   7.9864  5371.89  736.620  6258.60  980.520  4223.07  1116.07  123.043   9.8981   99.858   14.162 23.18454 17.27783 
1 1 1   20   12   19 o  170.277   8.7751 11940.12  1209.11 12145.95  1661.55 11708.43  1762.83  170.679   12.067  167.175   13.091 3.504089 17.80448 
1 1 1   20   12   20 o  170.888   8.9199 12066.48  1233.40 12186.98  1727.16 11941.08  1761.93  170.290   12.580  168.368   12.989 1.922592 18.08221 
1 1 1   20   12   21 o  110.721   9.0479  5106.88  806.315  5387.75  1002.74  4592.99  1356.35  113.050   11.066  101.778   17.013 11.27192 20.29530 
1 1 1   20   12   22 o  140.503   9.6704  8286.07  1096.52  9776.50  1487.86  6514.21  1622.26  151.238   12.221  120.405   17.072 30.83310 20.99483 
1 1 1   20   12   23 o   88.360   10.413  3355.97  732.756  3313.92  862.291  3465.27  1390.06   86.715   12.617   83.641   20.603 3.074326 24.15925 
1 1 1   20   12   24 o   38.326   13.959  597.847  563.362  481.897  623.454  1113.84  1315.20   37.081   14.420   51.347   20.632 -14.26610 25.17164 
1 1 1   20   14    0 o  236.278   13.742 22771.06  2625.05   0.0000   0.0000 22771.06  2625.05  ?   ?   236.278   13.742 0.000000 13.74222 
1 1 1   20   14    1 o  804.779   31.746 264813.69 20744.73 277160.81 35967.06 258658.70 25394.25  815.996   54.600  793.859   39.396 22.13757 67.32907 
1 1 1   20   14    2 o  862.063   34.047 304330.41 23832.07 327723.31 41260.71 292619.00 29194.45  885.740   57.686  842.160   42.835 43.57977 71.85056 
1 1 1   20   14    3 o  650.519   31.482 173235.50 16628.69 190560.80 23571.77 156071.80 23461.67  678.553   43.005  612.483   47.549 66.06976 64.11229 
1 1 1   20   14    4 o  726.639   28.918 216163.59 17061.75 222934.20 29753.42 212846.41 20826.10  730.115   50.499  719.485   35.649 10.63037 61.81435 
1 1 1   20   14    5 o  573.330   15.806 133859.91  7357.94 141555.59 10480.06 126378.90 10332.90  588.747   21.923  556.145   22.882 32.60162 31.68915 
1 1 1   20   14    6 o  1049.71   47.608 462699.31 40577.47 527600.69 57622.71 398857.09 57150.62  1104.14   64.554  949.655   74.720 154.4897 98.74400 
1 1 1   20   14    7 o  365.242   19.227 54663.06  5682.02 52440.55  8139.68 56775.41  7935.39  355.770   28.414  370.732   26.537 -14.96274 38.87917 
1 1 1   20   14    8 o  401.346   20.783 66116.08  6749.58 64846.23  9649.98 67332.30  9444.04  395.046   30.316  402.959   29.059 -7.912750 41.99369 
1 1 1   20   14    9 o  638.946   31.773 169307.70 16483.71 167472.59 23440.18 171103.00 23184.89  626.577   46.403  634.056   45.333 -7.479004 64.87154 
1 1 1   20   14   10 o  570.258   28.136 134501.70 13027.76 140325.50 18583.79 128873.90 18268.33  575.865   39.992  551.126   41.119 24.73859 57.36026 
1 1 1   20   14   11 o  276.472   13.036 31173.31  2926.47 22861.75  5350.91 34720.35  3495.58  233.053   28.897  291.212   14.832 -58.15965 32.48132 
1 1 1   20   14   12 o  165.773   7.9350 11178.25  1068.07 11929.70  1497.87 10400.96  1523.41  170.770   10.859  159.282   11.864 11.48836 16.08329 
1 1 1   20   14   13 o  501.748   17.451 103304.30  7109.62 98932.87 10079.00 107633.40 10030.23  487.443   25.555  509.644   24.238 -22.20123 35.22140 
1 1 1   20   14   14 o  260.898   10.615 27769.02  2248.63 28111.37  3193.29 27432.29  3166.97  261.429   15.108  258.227   15.171 3.201630 21.41042 
1 1 1   20   14   15 o   95.940   7.5508  3772.48  583.456  3493.81  785.448  4115.56  871.510   91.844   10.735   99.747   10.940 -7.903717 15.32729 
1 1 1   20   14   16 o  308.223   12.278 39058.11  3072.81 42973.80  4401.23 35334.29  4292.05  321.078   16.942  290.427   18.294 30.65094 24.93412 
1 1 1   20   14   17 o  114.057   7.5637  5337.84  696.509  5375.15  935.572  5291.44  1043.22  113.965   10.219  112.770   11.556 1.195343 15.42652 
1 1 1   20   14   18 o  147.098   8.1783  8892.40  972.946  8708.04  1345.63  9094.36  1408.42  144.692   11.550  147.798   11.835 -3.106461 16.53716 
1 1 1   20   14   19 o  146.240   8.5441  8819.46  1010.13  8477.34  1377.83  9217.02  1485.29  142.281   12.039  148.242   12.455 -5.960785 17.32275 
1 1 1   20   14   20 o   57.521   10.494  1414.78  472.055  914.245  553.584  2748.67  903.698   46.150   13.746   79.414   14.551 -33.26429 20.01710 
1 1 1   20   14   21 o   81.935   9.9802  2836.84  650.252  2804.46  766.301  2920.12  1228.98   80.756   12.056   79.469   19.250 1.286514 22.71330 
1 1 1   20   14   22 o  109.287   9.6063  5044.39  843.779  5094.88  1066.44  4959.88  1379.75  108.516   12.322  104.395   16.851 4.120941 20.87558 
1 1 1   20   14   23 o   82.959   10.125  2971.53  667.862  3327.22  757.756  1733.54  1413.67   87.440   10.910   59.758   22.058 27.68209 24.60889 
1 1 1   20   16    0 o  834.928   40.828 288183.81 27678.56   0.0000   0.0000 288183.81 27678.56  ?   ?   834.928   40.828 0.000000 40.82780 
1 1 1   20   16    1 f  297.056   13.436 35898.61  3240.70 35136.61  5679.93 36266.39  3946.01  292.239   24.153  297.979   16.372 -5.740082 29.17919 
1 1 1   20   16    2 o  522.479   21.441 111455.40  9096.25 105747.10 15751.01 114311.80 11142.05  504.309   38.762  528.437   25.968 -24.12857 46.65671 
1 1 1   20   16    3 o  452.428   33.304 84801.14 12148.56 84801.14 12148.56   0.0000   0.0000  452.428   33.304  ?   ?  0.000000 33.30437 
1 1 1   20   16    4 o  475.940   34.886 94181.13 13387.51 94181.13 13387.51   0.0000   0.0000  475.940   34.886  ?   ?  0.000000 34.88558 
1 1 1   20   16    5 o  374.533   19.773 57497.03  5991.78 55740.31  8560.54 59184.20  8389.37  366.745   28.984  378.346   27.497 -11.60117 39.95147 
1 1 1   20   16    6 o  524.066   26.412 113256.10 11202.64 114533.90 15955.22 112013.70 15732.97  522.812   37.841  517.042   37.736 5.769592 53.44124 
1 1 1   20   16    7 f  334.620   17.888 45882.20  4842.56 47939.38  6973.63 43966.41  6729.72  340.491   25.407  325.943   25.635 14.54810 36.09269 
1 1 1   20   16    8 o  236.002   11.464 22677.61  2196.80 19653.13  4100.73 23894.95  2601.60  217.455   23.604  241.770   13.304 -24.31448 27.09490 
1 1 1   20   16    9 o  412.637   17.273 69628.23  5787.44 67634.84 10315.04 70544.05  6991.61  402.063   31.857  414.152   20.858 -12.08948 38.07813 
1 1 1   20   16   10 o  298.625   14.205 36402.66  3444.33 26183.20  6259.84 40839.98  4124.87  248.744   31.715  315.647   16.148 -66.90286 35.58964 
1 1 1   20   16   11 o  203.875   11.310 16992.34  1864.84 10653.78  3545.77 19416.02  2192.57  157.724   28.746  217.822   12.449 -60.09747 31.32573 
1 1 1   20   16   12 f  349.704   15.213 50049.87  4319.79 50261.73  7858.15 49958.12  5171.24  346.031   28.214  348.284   18.351 -2.253357 33.65685 
1 1 1   20   16   13 o  254.952   11.955 26546.47  2474.82 30232.37  4703.12 25135.06  2910.33  269.437   21.681  247.311   14.557 22.12564 26.11488 
1 1 1   20   16   14 o  392.313   16.709 63440.53  5322.54 67855.89  9723.87 61551.71  6359.89  397.943   30.322  384.487   20.445 13.45581 36.57110 
1 1 1   20   16   15 o  174.932   10.576 12575.56  1495.12 23372.64  3496.01 10158.80  1654.00  236.220   18.372  156.618   13.127 79.60172 22.57982 
1 1 1   20   16   16 o   88.984   7.6571  3257.53  547.854  4701.31  705.136  1058.65  870.209  106.935   8.1832   51.781   17.461 55.15464 19.28315 
1 1 1   20   16   17 o  215.663   11.703 19268.12  2041.63 23376.33  4401.23 18141.72  2304.59  230.726   23.837  208.478   13.690 22.24825 27.48831 
1 1 1   20   16   18 o  162.300   8.2944 10837.66  1089.40 10030.08  1504.13 11728.72  1579.96  154.977   12.048  167.794   11.669 -12.81694 16.77263 
1 1 1   20   16   19 f  153.322   9.1590  9732.15  1135.01 11318.16  1576.87  8027.04  1635.00  164.326   11.899  136.966   14.944 27.36073 19.10261 
1 1 1   20   16   20 o  127.039   8.7829  6705.15  900.409  7981.27  1183.98  4954.77  1386.65  137.939   10.654  105.923   16.674 32.01561 19.78684 
1 1 1   20   16   21 f   35.629   11.539  525.895  381.130  674.826  405.496 -602.7928  1116.30   39.567   11.760   36.210   16.631 3.357727 20.36842 
1 1 1   20   16   22 o   58.285   11.073  1491.71  504.894  1091.62  559.455  3248.00  1172.15   49.147   13.572   82.771   17.957 -33.62379 22.50907 
1 1 1   20   16   23 o   87.307   9.8097  3300.53  683.378  3805.79  784.115  1704.36  1393.67   93.394   10.523   58.213   21.819 35.18170 24.22433 
1 1 1   20   18    1 o  432.835   32.210 77866.02 11239.15   0.0000   0.0000 77866.02 11239.15  ?   ?   432.835   32.210 0.000000 32.21016 
1 1 1   20   18    2 o  209.467   13.666 17949.64  2311.60 17610.39  3340.66 18261.30  3201.96  206.537   20.178  210.559   18.931 -4.021774 27.66828 
1 1 1   20   18    3 f  459.289   23.711 86784.54  8812.42 85849.88 12554.41 87692.38 12372.88  453.549   34.345  458.733   33.448 -5.183197 47.94156 
1 1 1   20   18    4 o  168.272   12.362 11592.02  1677.19 12719.04  2465.35 10621.04  2288.32  175.609   17.524  160.261   17.891 15.34875 25.04326 
1 1 1   20   18    5 o  387.570   20.271 61665.59  6357.08 66430.22  9108.21 57140.02  8876.78  400.280   28.204  370.650   29.746 29.62997 40.99155 
1 1 1   20   18    6 o  339.553   14.321 47019.16  3948.35 47300.03  7190.10 46897.90  4724.42  337.766   26.428  338.341   17.254 -0.5750122 31.56154 
1 1 1   20   18    7 o  310.300   13.616 39261.61  3430.55 39666.98  6315.44 39091.93  4085.92  309.247   25.375  308.908   16.348 0.3389893 30.18519 
1 1 1   20   18    8 o  337.211   15.562 46452.22  4260.98 38013.93  7768.86 50082.73  5095.82  300.385   32.363  349.318   18.028 -48.93335 37.04562 
1 1 1   20   18    9 o  760.529   31.547 241446.09 19480.90 229637.70 34119.69 247157.50 23728.84  715.587   59.256  764.579   38.222 -48.99194 70.51363 
1 1 1   20   18   10 o  389.294   16.290 62042.29  5149.11 62914.08  9302.47 61657.21  6182.62  387.211   29.817  386.846   19.749 0.3652954 35.76434 
1 1 1   20   18   11 o  292.229   13.738 34902.93  3259.65 30539.93  6064.51 36675.52  3865.51  269.160   28.166  298.790   15.991 -29.63058 32.38900 
1 1 1   20   18   12 o  146.089   9.4408  8732.81  1113.87 10449.99  2477.03  8297.57  1247.07  157.981   19.741  142.198   10.884 15.78362 22.54247 
1 1 1   20   18   13 o   62.664   13.707  1672.09  678.018 -4019.1350  2364.75  2181.86  707.732   43.416   21.111   71.982   12.566 -28.56658 24.56797 
1 1 1   20   18   14 o  193.424   10.781 15367.22  1686.40 20790.06  3674.11 13919.82  1898.16  221.932   20.625  183.613   12.812 38.31866 24.28029 
1 1 1   20   18   15 o  183.646   11.180 13911.03  1659.17 18187.14  3962.20 13001.77  1827.08  204.559   24.332  177.087   12.793 27.47157 27.49036 
1 1 1   20   18   16 o  165.590   11.335 11358.28  1514.92  7635.29  3917.73 12012.83  1642.70  125.114   36.383  170.125   11.968 -45.01073 38.30079 
1 1 1   20   18   17 o   66.189   15.087  1908.27  792.791  2889.06  3142.11  1841.58  819.298   85.166   32.569   64.911   15.713 20.25534 36.16115 
1 1 1   20   18   18 o   75.279   15.630  2482.88  924.130  844.798  2955.68  2660.36  972.907   69.354   29.629   77.893   15.920 -8.539658 33.63547 
1 1 1   20   18   19 o  112.151   14.169  5409.20  1261.47  6398.50  4192.57  5310.73  1322.77  107.112   38.200  110.696   15.112 -3.583725 41.08072 
1 1 1   20   18   20 o   92.352   15.926  3794.86  1151.11  2060.64  4478.77  3917.51  1191.12   79.807   35.243   93.705   16.244 -13.89872 38.80624 
1 1 1   20   18   21 o   81.583   18.061  3122.62  1164.81   0.0000   0.0000  3122.62  1164.81  ?   ?    81.583   18.061 0.000000 18.06111 
1 1 1   20   18   22 o   61.164   20.665  1871.37  1218.96   0.0000   0.0000  1871.37  1218.96  ?   ?    61.164   20.665 0.000000 20.66525 
1 1 1   20   20    0 o  155.352   12.887  9900.17  1610.91   0.0000   0.0000  9900.17  1610.91  ?   ?   155.352   12.887 0.000000 12.88713 
1 1 1   20   20    1 o  237.903   15.149 23184.01  2911.18   0.0000   0.0000 23184.01  2911.18  ?   ?   237.903   15.149 0.000000 15.14942 
1 1 1   20   20    2 o  250.616   12.792 25656.60  2594.32 25316.60  4550.72 25820.31  3157.72  247.274   22.926  251.048   15.568 -3.773483 27.71213 
1 1 1   20   20    3 o  262.808   13.345 28224.17  2838.34 31293.74  4948.45 26719.15  3464.99  275.222   22.336  255.188   16.817 20.03398 27.95911 
1 1 1   20   20    4 o  536.237   27.591 119104.80 11972.49 116869.40 17083.59 121262.40 16783.71  525.292   40.362  535.941   38.832 -10.64856 56.00900 
1 1 1   20   20    5 o  258.313   15.887 27357.60  3315.98 24262.26  4818.89 30141.44  4569.99  241.406   24.944  270.236   20.992 -28.82909 32.60180 
1 1 1   20   20    6 o  532.252   20.989 116329.40  9071.04 118911.40 16135.64 115136.40 10968.35  530.287   37.721  528.066   25.581 2.221252 45.57655 
1 1 1   20   20    7 o  157.413   7.8012 10077.01  997.104 15897.07  2176.75  8531.50  1121.71  196.895   13.701  144.459   9.6180 52.43631 16.73984 
1 1 1   20   20    8 o  342.582   14.765 47963.80  4107.02 47526.84  7603.96 48143.77  4880.07  337.055   28.039  342.306   17.618 -5.251465 33.11432 
1 1 1   20   20    9 o  332.031   13.238 45020.34  3568.94 52698.52  6693.45 41970.30  4218.65  356.348   23.261  319.699   16.306 36.64883 28.40677 
1 1 1   20   20   10 o   81.674   9.8911  2757.45  642.570  5204.81  1815.98  2407.18  687.016  110.563   20.996   75.971   11.497 34.59200 23.93772 
1 1 1   20   20   11 o  269.709   12.456 29735.81  2727.91 31355.66  5269.18 29142.68  3188.46  273.479   23.971  266.231   14.808 7.248169 28.17611 
1 1 1   20   20   12 o  102.066   10.136  4295.06  828.885  4420.95  2752.76  4282.50  869.226  101.082   30.777  101.832   10.671 -0.7495346 32.57421 
1 1 1   20   20   13 o  242.972   11.775 24220.90  2323.00 34432.34  5025.95 21446.82  2619.60  285.324   21.860  227.661   14.243 57.66360 26.09088 
1 1 1   20   20   14 o  146.433   11.179  8862.43  1319.08 -626.3263  3553.95 10378.45  1420.56   70.016   31.133  158.546   11.105 -88.52962 33.05399 
1 1 1   20   20   15 o   25.203   11.857 -657.0668  623.010 -1214.8280  2248.59 -610.6893  648.395   51.914   23.755   26.287   12.280 25.62698 26.74101 
1 1 1   20   20   16 o   26.384   12.161 -451.1373  604.207  1331.56  2534.37 -558.5665  622.146   70.039   28.464   25.942   12.088 44.09723 30.92414 
1 1 1   20   20   17 o  115.679   12.275  5634.42  1135.36  9721.41  3464.38  5142.64  1201.73  141.207   31.060  109.955   13.762 31.25195 33.97205 
1 1 1   20   20   18 o  105.067   12.955  4705.26  1081.78  6019.86  4295.50  4616.23  1117.81  105.161   38.508  103.812   13.587 1.348694 40.83461 
1 1 1   20   20   19 o   46.703   17.598  773.905  908.932  215.683  3586.36  812.222  939.609   68.145   30.710   47.587   17.900 20.55761 35.54616 
1 1 1   20   20   20 o   36.990   16.311 -105.5004  955.962   0.0000   0.0000 -105.5004  955.962  ?   ?    36.990   16.311 0.000000 16.31122 
1 1 1   20   20   21 o   83.620   19.683  3443.44  1314.25   0.0000   0.0000  3443.44  1314.25  ?   ?    83.620   19.683 0.000000 19.68343 
1 1 1   20   20   22 o   34.268   16.831 -2341.4290  1617.68   0.0000   0.0000 -2341.4290  1617.68  ?   ?    34.268   16.831 0.000000 16.83069 
1 1 1   20   22    0 o  308.004   18.071 38970.42  4499.54   0.0000   0.0000 38970.42  4499.54  ?   ?   308.004   18.071 0.000000 18.07087 
1 1 1   20   22    1 o  374.249   20.740 57668.76  6277.80   0.0000   0.0000 57668.76  6277.80  ?   ?   374.249   20.740 0.000000 20.74005 
1 1 1   20   22    2 o  200.952   12.137 16517.38  1971.13 15869.57  3524.22 16812.29  2377.84  195.136   22.665  202.417   14.565 -7.281677 26.94129 
1 1 1   20   22    3 f  660.741   27.095 180763.70 14536.47 179563.59 25250.40 181358.70 17778.00  643.239   48.707  657.745   33.398 -14.50586 59.05721 
1 1 1   20   22    4 o  432.727   18.820 76777.91  6612.64 73810.69 11484.57 78249.52  8087.85  418.354   34.106  435.229   22.968 -16.87418 41.11838 
1 1 1   20   22    5 o  176.572   14.126 12812.26  2008.28 12157.04  3041.95 13318.48  2673.79  170.358   22.545  179.268   18.642 -8.910034 29.25408 
1 1 1   20   22    6 o  257.144   16.296 27174.29  3384.93 25934.21  5027.76 28202.35  4577.83  249.078   25.207  260.752   21.823 -11.67429 33.34093 
1 1 1   20   22    7 f  133.719   8.7566  7309.05  945.507  7821.48  2250.08  7199.16  1041.97  136.274   21.010  132.597   9.7462 3.676712 23.16091 
1 1 1   20   22    8 o  338.503   13.511 46830.94  3713.57 54012.23  7045.23 44068.06  4369.94  360.124   24.235  327.431   16.490 32.69308 29.31264 
1 1 1   20   22    9 o  230.863   12.287 21833.95  2294.98 17179.33  4701.10 23290.32  2629.61  200.105   29.846  238.215   13.652 -38.10976 32.82058 
1 1 1   20   22   10 o   53.297   11.816  1206.42  497.917 -2462.3391  1517.95  1648.76  527.080   35.442   17.158   62.681   10.743 -27.23941 20.24391 
1 1 1   20   22   11 o  302.466   13.371 37560.32  3283.73 47172.13  6639.52 34447.95  3778.16  333.715   24.678  288.483   16.195 45.23187 29.51769 
1 1 1   20   22   12 o  322.916   14.325 43047.67  3755.92 50553.42  7370.67 40415.06  4365.19  342.101   26.748  311.242   17.342 30.85873 31.87744 
1 1 1   20   22   13 o  202.510   11.182 16913.81  1831.49 25154.66  4386.36 15173.73  2015.60  241.726   22.611  191.227   13.059 50.49864 26.11127 
1 1 1   20   22   14 o   82.054   12.530  2846.43  808.315  5080.25  2818.52  2646.24  843.757  104.353   31.002   78.764   13.690 25.58952 33.89001 
1 1 1   20   22   15 o  191.876   11.745 15305.25  1821.05 23153.14  4812.16 13993.55  1967.35  226.090   26.730  182.814   13.346 43.27586 29.87693 
1 1 1   20   22   16 o   78.019   15.233  2650.93  930.386  1549.74  3856.75  2718.97  958.700   79.813   33.965   78.952   15.508 0.8609238 37.33815 
1 1 1   20   22   17 o  114.431   13.620  5592.80  1240.60  4537.02  4499.63  5679.66  1290.62   96.401   38.356  115.127   14.101 -18.72643 40.86566 
1 1 1   20   22   18 o   69.671   17.113  2197.82  961.102 -2825.9951  4673.40  2419.68  982.095   65.770   31.384   73.229   16.865 -7.459053 35.62888 
1 1 1   20   22   19 o  141.500   14.355  8750.09  1626.50   0.0000   0.0000  8750.09  1626.50  ?   ?   141.500   14.355 0.000000 14.35535 
1 1 1   20   22   20 o   70.930   19.752  2471.37  1179.63   0.0000   0.0000  2471.37  1179.63  ?   ?    70.930   19.752 0.000000 19.75198 
1 1 1   20   22   21 o   47.682   18.742  918.035  1062.27   0.0000   0.0000  918.035  1062.27  ?   ?    47.682   18.742 0.000000 18.74189 
1 1 1   20   24    0 o  112.917   14.658  5297.35  1312.20   0.0000   0.0000  5297.35  1312.20  ?   ?   112.917   14.658 0.000000 14.65786 
1 1 1   20   24    1 f  320.916   19.175 42447.63  4973.75   0.0000   0.0000 42447.63  4973.75  ?   ?   320.916   19.175 0.000000 19.17543 
1 1 1   20   24    2 o   82.999   17.728  2931.13  1158.47   0.0000   0.0000  2931.13  1158.47  ?   ?    82.999   17.728 0.000000 17.72843 
1 1 1   20   24    3 o  211.027   13.351 18257.80  2275.88 16348.65  4080.23 19120.04  2742.07  196.839   26.178  215.563   15.776 -18.72423 30.56442 
1 1 1   20   24    4 o  137.573   13.228  7800.12  1459.42  9296.47  2644.87  7145.07  1749.94  148.407   22.668  130.979   16.845 17.42841 28.24153 
1 1 1   20   24    5 o  659.864   28.085 181816.41 15047.78 178403.30 26081.10 183519.50 18423.48  632.049   51.262  657.430   34.635 -25.38129 61.86583 
1 1 1   20   24    6 o  389.508   21.989 62932.23  6926.06 61538.04 10114.73 64163.05  9503.66  380.111   33.103  389.658   30.276 -9.546326 44.85971 
1 1 1   20   24    7 o  203.552   12.492 16995.45  2054.61 11854.30  4392.05 18435.74  2324.67  164.150   34.068  211.840   13.587 -47.68996 36.67742 
1 1 1   20   24    8 o  365.037   15.394 54724.75  4562.88 58025.00  8700.46 53472.70  5358.97  369.400   29.246  359.503   18.420 9.897003 34.56389 
1 1 1   20   24    9 f   66.446   9.7490  1840.21  510.336  1264.80  2688.17  1861.73  519.788   73.593   29.523   66.818   9.8785 6.775391 31.13148 
1 1 1   20   24   10 o  424.776   16.743 74782.37  5774.63 92962.68 11088.74 68017.25  6764.23  462.834   29.663  402.415   20.773 60.41959 36.21290 
1 1 1   20   24   11 f   93.208   10.189  3602.04  758.557  2928.56  3152.59  3643.43  781.517   88.126   32.859   93.697   10.450 -5.571945 34.48042 
1 1 1   20   24   12 o   53.853   12.577  1245.06  540.008 -4230.0859  2539.93  1504.27  552.643   44.538   21.706   59.391   11.875 -14.85383 24.74208 
1 1 1   20   24   13 o  110.431   10.645  5068.53  942.666  2316.93  3202.41  5329.58  986.368   82.314   32.482  113.209   10.864 -30.89475 34.25038 
1 1 1   20   24   14 o   96.812   11.842  3940.72  911.503  4305.23  3182.69  3908.16  951.354   96.128   33.365   96.230   12.469 -0.1019821 35.61858 
1 1 1   20   24   15 o   85.299   13.698  3121.92  916.643 13545.14  3890.08  2509.15  943.202  168.480   29.512   75.634   15.865 92.84615 33.50586 
1 1 1   20   24   16 o  161.173   12.406 10952.52  1611.00 15665.64  5335.44 10479.72  1689.87  167.801   39.767  157.169   13.369 10.63228 41.95441 
1 1 1   20   24   17 o  168.028   13.007 12029.68  1760.72 15376.03  6024.65 11717.17  1841.10  152.430   45.335  165.307   13.844 -12.87750 47.40150 
1 1 1   20   24   18 o   46.393   17.910  739.838  956.363   0.0000   0.0000  739.838  956.363  ?   ?    46.393   17.910 0.000000 17.91029 
1 1 1   20   24   19 o   32.307   14.884 -507.3138  903.716   0.0000   0.0000 -507.3138  903.716  ?   ?    32.307   14.884 0.000000 14.88439 
1 1 1   20   24   20 o   93.032   19.431  4333.23  1420.46   0.0000   0.0000  4333.23  1420.46  ?   ?    93.032   19.431 0.000000 19.43116 
1 1 1   20   26    0 o   69.326   23.947  1820.03  1638.56   0.0000   0.0000  1820.03  1638.56  ?   ?    69.326   23.947 0.000000 23.94686 
1 1 1   20   26    1 o  301.960   27.153 38384.68  6586.12   0.0000   0.0000 38384.68  6586.12  ?   ?   301.960   27.153 0.000000 27.15257 
1 1 1   20   26    2 o  109.305   23.973  5148.66  2069.11   0.0000   0.0000  5148.66  2069.11  ?   ?   109.305   23.973 0.000000 23.97306 
1 1 1   20   26    3 o  310.302   19.733 39884.08  4945.98 38499.38  7342.32 41034.41  6692.16  300.755   30.488  312.250   26.650 -11.49527 40.49378 
1 1 1   20   26    4 o  203.802   16.387 17170.19  2688.75 15349.97  4140.51 18497.44  3535.65  189.438   27.740  210.419   20.974 -20.98123 34.77662 
1 1 1   20   26    5 o  329.471   16.897 44789.88  4504.96 45324.67  7945.75 44536.54  5468.89  325.711   30.396  327.230   20.689 -1.518921 36.76892 
1 1 1   20   26    6 o  124.040   15.516  6422.39  1528.57  5220.19  2616.91  7044.99  1883.24  108.996   29.044  129.313   18.460 -20.31668 34.41440 
1 1 1   20   26    7 o  392.447   22.132 64652.80  7023.82 75028.02 10496.17 56239.09  9452.05  416.210   31.287  358.967   32.791 57.24231 45.32275 
1 1 1   20   26    8 o  260.110   11.580 27747.77  2445.79 42586.18  5738.27 24453.71  2703.67  317.167   22.427  243.313   13.741 73.85445 26.30166 
1 1 1   20   26    9 o  197.104   10.085 15958.65  1608.60 25631.24  4522.64 14557.79  1721.15  244.501   23.053  187.938   11.332 56.56245 25.68773 
1 1 1   20   26   10 o  183.423   11.987 13925.23  1775.45 11444.19  4544.03 14372.24  1928.77  154.496   36.757  186.096   12.843 -31.59982 38.93606 
1 1 1   20   26   11 o   30.875   11.738  279.903  406.614  1060.86  3375.89  268.406  409.595   76.072   32.045   30.710   11.755 45.36165 34.13337 
1 1 1   20   26   12 o  130.392   10.497  7053.49  1101.89  9650.85  3795.02  6814.36  1151.50  140.945   33.630  127.960   11.196 12.98515 35.44450 
1 1 1   20   26   13 o  308.345   14.662 39959.87  3670.83 46638.52  8091.73 38229.24  4119.07  312.321   32.379  299.425   17.013 12.89621 36.57595 
1 1 1   20   26   14 o   38.733   14.889  448.724  658.774 -990.1164  4177.19  485.423  667.123   70.487   32.299   39.461   15.027 31.02585 35.62326 
1 1 1   20   26   15 o   53.988   17.545  1247.01  880.652  1583.32  4627.81  1234.37  897.044   81.685   35.961   53.876   17.717 27.80909 40.08802 
1 1 1   20   26   16 o   25.304   12.421 -1669.6830  877.210 -5274.9551  4705.14 -1539.8571  892.864   59.991   29.305   26.262   12.815 33.72941 31.98412 
1 1 1   20   26   17 o  118.900   13.861  6171.28  1313.05   0.0000   0.0000  6171.28  1313.05  ?   ?   118.900   13.861 0.000000 13.86085 
1 1 1   20   26   18 f   44.201   17.799  595.234  981.185   0.0000   0.0000  595.234  981.185  ?   ?    44.201   17.799 0.000000 17.79921 
1 1 1   20   26   19 o   74.715   20.148  2871.56  1250.22   0.0000   0.0000  2871.56  1250.22  ?   ?    74.715   20.148 0.000000 20.14759 
1 1 1   20   28    0 o  117.264   19.563  5846.38  1797.04   0.0000   0.0000  5846.38  1797.04  ?   ?   117.264   19.563 0.000000 19.56278 
1 1 1   20   28    1 o  177.372   18.150 13141.34  2577.09   0.0000   0.0000 13141.34  2577.09  ?   ?   177.372   18.150 0.000000 18.14955 
1 1 1   20   28    2 o  141.989   18.296  8476.81  2060.28   0.0000   0.0000  8476.81  2060.28  ?   ?   141.989   18.296 0.000000 18.29599 
1 1 1   20   28    3 o  221.738   18.313 20515.18  3267.62   0.0000   0.0000 20515.18  3267.62  ?   ?   221.738   18.313 0.000000 18.31290 
1 1 1   20   28    4 o  520.522   23.406 114180.40  9892.66 128417.30 17574.11 107576.60 11969.09  531.143   41.069  499.016   29.674 32.12750 50.66717 
1 1 1   20   28    5 o  421.729   20.240 74497.70  6930.63 86987.21 12366.78 68778.95  8368.24  441.681   34.764  400.644   25.862 41.03690 43.32899 
1 1 1   20   28    6 o  221.504   16.224 20477.86  2897.71 22961.03  5280.49 19407.89  3466.24  228.057   29.186  214.021   20.185 14.03647 35.48569 
1 1 1   20   28    7 o   85.908   21.038  3245.42  1455.81 -2434.1111  3625.85  4336.97  1589.56   63.421   29.428   99.694   20.326 -36.27372 35.76484 
1 1 1   20   28    8 o   47.463   9.5564  956.309  355.546 -1505.4670  2995.82  991.479  358.077   59.925   27.420   48.364   9.4573 11.56174 29.00517 
1 1 1   20   28    9 o   94.105   10.023  3679.84  754.070  8552.59  4076.24  3507.18  767.314  131.987   36.704   91.745   10.489 40.24165 38.17307 
1 1 1   20   28   10 o  126.381   10.025  6615.17  1020.26 10075.96  4516.74  6429.09  1047.33  140.879   38.423  124.470   10.460 16.40865 39.82170 
1 1 1   20   28   11 o  312.480   14.227 40912.45  3609.83 49785.32  8457.15 38935.75  3991.73  323.076   32.689  303.004   16.284 20.07117 36.52040 
1 1 1   20   28   12 o  412.917   19.009 73717.72  6373.22 78921.05 13051.61 72088.53  7303.12  382.236   42.787  403.132   22.400 -20.89542 48.29523 
1 1 1   20   28   13 o   82.592   13.500  2939.12  874.040  3869.67  4330.45  2899.60  892.406   92.660   37.365   81.881   13.921 10.77878 39.87410 
1 1 1   20   28   14 o  153.576   12.416  9988.58  1535.04 15739.52  5544.70  9511.21  1597.48  162.773   41.750  149.383   13.310 13.39069 43.82048 
1 1 1   20   28   15 o  159.115   13.357 10869.05  1709.65  7334.29  6923.43 11098.58  1764.28  103.070   44.700  160.599   13.659 -57.52842 46.74081 
1 1 1   20   28   16 o   47.275   17.970  824.351  952.918   0.0000   0.0000  824.351  952.918  ?   ?    47.275   17.970 0.000000 17.96959 
1 1 1   20   28   17 o  115.665   16.085  6126.52  1469.74   0.0000   0.0000  6126.52  1469.74  ?   ?   115.665   16.085 0.000000 16.08487 
1 1 1   20   28   18 o   40.044   17.308  226.932  1031.03   0.0000   0.0000  226.932  1031.03  ?   ?    40.044   17.308 0.000000 17.30815 
1 1 1   20   30    0 o  477.672   28.375 99926.76 10955.95   0.0000   0.0000 99926.76 10955.95  ?   ?   477.672   28.375 0.000000 28.37506 
1 1 1   20   30    1 o  267.953   20.369 30453.60  4398.44   0.0000   0.0000 30453.60  4398.44  ?   ?   267.953   20.369 0.000000 20.36882 
1 1 1   20   30    2 o  377.091   23.948 61180.14  7294.64   0.0000   0.0000 61180.14  7294.64  ?   ?   377.091   23.948 0.000000 23.94845 
1 1 1   20   30    3 o  212.739   19.538 19234.34  3337.18   0.0000   0.0000 19234.34  3337.18  ?   ?   212.739   19.538 0.000000 19.53776 
1 1 1   20   30    4 o  422.208   21.568 76205.88  7369.14 86500.90 13579.52 71908.66  8773.32  425.422   39.774  404.563   26.861 20.85962 47.99402 
1 1 1   20   30    5 o  101.429   20.600  4521.76  1638.66  3933.66  4103.48  4633.33  1787.36   98.261   37.304  102.179   22.180 -3.918770 43.39953 
1 1 1   20   30    6 o   78.583   22.453  2739.21  1504.11 -360.1636  3397.48  3494.76  1677.45   68.871   30.540   88.262   23.128 -19.39095 38.30922 
1 1 1   20   30    7 o   86.533   22.731  3368.66  1617.79  7695.75  4124.77  2582.00  1758.70  124.115   37.648   76.856   24.777 47.25858 45.06927 
1 1 1   20   30    8 o  185.967   10.896 14333.33  1638.12 14740.37  5489.72 14293.54  1716.31  168.509   40.602  185.511   11.450 -17.00177 42.18576 
1 1 1   20   30    9 o  111.467   10.383  5174.79  928.953  6420.38  4511.70  5119.65  949.294  111.935   39.659  110.785   10.686 1.149208 41.07301 
1 1 1   20   30   10 o   55.135   12.273  1315.03  535.275 -1416.7560  5006.28  1346.62  538.361   75.330   34.821   55.812   12.219 19.51817 36.90250 
1 1 1   20   30   11 o   59.564   12.684  1539.91  594.639 -5203.1992  5302.65  1625.79  598.414   66.510   32.168   61.294   12.449 5.216187 34.49281 
1 1 1   20   30   12 o   45.919   14.145  901.028  579.379  3697.28  5646.88  871.278  582.453   93.461   40.451   45.319   14.219 48.14191 42.87752 
1 1 1   20   30   13 o  137.339   13.297  8083.70  1464.27 15772.20  6943.06  7725.82  1497.96  144.816   49.318  133.870   13.988 10.94681 51.26299 
1 1 1   20   30   14 o   96.757   14.371  4118.56  1094.70   0.0000   0.0000  4118.56  1094.70  ?   ?    96.757   14.371 0.000000 14.37053 
1 1 1   20   30   15 o   70.359   19.325  2380.10  1137.84   0.0000   0.0000  2380.10  1137.84  ?   ?    70.359   19.325 0.000000 19.32487 
1 1 1   20   30   16 o  146.516   14.127  9611.69  1659.81   0.0000   0.0000  9611.69  1659.81  ?   ?   146.516   14.127 0.000000 14.12711 
1 1 1   20   30   17 o   78.720   22.775  3447.34  1538.67   0.0000   0.0000  3447.34  1538.67  ?   ?    78.720   22.775 0.000000 22.77489 
1 1 1   20   32    0 o  278.713   22.136 33816.02  4968.25   0.0000   0.0000 33816.02  4968.25  ?   ?   278.713   22.136 0.000000 22.13603 
1 1 1   20   32    1 o  147.731   22.558  9644.98  2620.08   0.0000   0.0000  9644.98  2620.08  ?   ?   147.731   22.558 0.000000 22.55779 
1 1 1   20   32    2 o  126.163   22.904  7102.11  2259.88   0.0000   0.0000  7102.11  2259.88  ?   ?   126.163   22.904 0.000000 22.90413 
1 1 1   20   32    3 f  112.530   24.903  5777.50  2215.16   0.0000   0.0000  5777.50  2215.16  ?   ?   112.530   24.903 0.000000 24.90267 
1 1 1   20   32    4 o  213.885   21.241 19972.75  3640.02   0.0000   0.0000 19972.75  3640.02  ?   ?   213.885   21.241 0.000000 21.24069 
1 1 1   20   32    5 o   89.110   25.386  3658.63  1925.69  1476.78  5129.17  4016.63  2077.67   87.863   38.288   92.998   26.326 -5.135689 46.46521 
1 1 1   20   32    6 o  215.571   19.832 20235.62  3432.47 24660.73  7308.14 18983.16  3888.00  213.461   43.638  205.852   23.694 7.608948 49.65507 
1 1 1   20   32    7 o  117.657   26.653  6525.97  2487.26  8536.38  5776.91  6068.49  2755.76  122.339   44.678  111.622   29.833 10.71703 53.72333 
1 1 1   20   32    8 o   96.402   9.9122  3882.67  764.825  1737.70  4768.15  3939.32  774.858   84.772   36.929   97.094   9.9702 -12.32136 38.25145 
1 1 1   20   32    9 o   57.903   10.379  1431.71  470.055  9308.88  6045.54  1383.80  471.483  121.958   45.497   56.847   10.605 65.11154 46.71613 
1 1 1   20   32   10 o  209.842   14.601 18856.63  2472.26 15312.98  8877.52 19154.56  2574.09  135.693   53.911  211.109   15.117 -75.41678 55.99022 
1 1 1   20   32   11 o  211.046   13.239 18995.16  2257.18 27073.23  7989.50 18294.47  2353.04  197.962   49.761  206.423   14.124 -8.461151 51.72628 
1 1 1   20   32   12 o   34.233   14.215  182.887  650.058 -969.2936  5917.55  196.961  654.016   74.904   35.624   34.503   14.287 40.40060 38.38178 
1 1 1   20   32   13 o   53.279   16.011  1286.86  748.608   0.0000   0.0000  1286.86  748.608  ?   ?    53.279   16.011 0.000000 16.01129 
1 1 1   20   32   14 o  126.367   13.976  7101.75  1410.04   0.0000   0.0000  7101.75  1410.04  ?   ?   126.367   13.976 0.000000 13.97635 
1 1 1   20   32   15 o   35.159   15.969 -288.1990  992.314   0.0000   0.0000 -288.1990  992.314  ?   ?    35.159   15.969 0.000000 15.96893 
1 1 1   20   34    0 o   61.887   24.833  1118.32  1902.51   0.0000   0.0000  1118.32  1902.51  ?   ?    61.887   24.833 0.000000 24.83293 
1 1 1   20   34    1 o  187.843   24.889 16139.32  3702.64   0.0000   0.0000 16139.32  3702.64  ?   ?   187.843   24.889 0.000000 24.88889 
1 1 1   20   34    2 o  160.746   27.095 12121.92  3410.67   0.0000   0.0000 12121.92  3410.67  ?   ?   160.746   27.095 0.000000 27.09482 
1 1 1   20   34    3 o   64.429   26.564  1058.58  2247.60   0.0000   0.0000  1058.58  2247.60  ?   ?    64.429   26.564 0.000000 26.56412 
1 1 1   20   34    4 o   60.020   26.125  225.014  2382.05   0.0000   0.0000  225.014  2382.05  ?   ?    60.020   26.125 0.000000 26.12495 
1 1 1   20   34    5 o   58.888   25.549  272.144  2263.37   0.0000   0.0000  272.144  2263.37  ?   ?    58.888   25.549 0.000000 25.54862 
1 1 1   20   34    6 o  124.217   28.922  7635.28  2862.59  6985.12  7281.18  7754.15  3113.28  109.201   46.575  123.476   31.076 -14.27412 55.99059 
1 1 1   20   34    7 o  263.489   23.206 31946.05  4914.05 29651.78  9973.02 32681.67  5647.17  192.430   58.578  261.245   27.012 -68.81508 64.50635 
1 1 1   20   34    8 o   41.531   10.415  747.424  350.601  7692.45  5722.35  721.255  351.260  109.013   43.292   40.807   10.531 68.20583 44.55418 
1 1 1   20   34    9 o   64.492   11.478  1798.79  579.038  7616.60  7366.56  1762.62  580.835  103.809   45.543   63.770   11.647 40.03888 47.00842 
1 1 1   20   34   10 o   43.032   13.914  788.138  554.352  7918.29  8377.59  756.781  555.570   99.907   45.765   42.395   13.943 57.51264 47.84222 
1 1 1   20   34   11 o   44.876   14.649  870.596  613.706   0.0000   0.0000  870.596  613.706  ?   ?    44.876   14.649 0.000000 14.64909 
1 1 1   20   34   12 o   84.028   14.198  3180.52  934.211   0.0000   0.0000  3180.52  934.211  ?   ?    84.028   14.198 0.000000 14.19834 
1 1 1   20   34   13 o   60.627   16.001  1750.08  799.198   0.0000   0.0000  1750.08  799.198  ?   ?    60.627   16.001 0.000000 16.00116 
1 1 1   20   34   14 o   44.758   17.327  818.978  897.054   0.0000   0.0000  818.978  897.054  ?   ?    44.758   17.327 0.000000 17.32728 
1 1 1   20   36    0 o  201.895   27.375 19800.05  4371.95   0.0000   0.0000 19800.05  4371.95  ?   ?   201.895   27.375 0.000000 27.37530 
1 1 1   20   36    1 f  110.399   32.594  6523.90  3123.15   0.0000   0.0000  6523.90  3123.15  ?   ?   110.399   32.594 0.000000 32.59399 
1 1 1   20   36    2 o  133.499   32.348  9412.68  3469.64   0.0000   0.0000  9412.68  3469.64  ?   ?   133.499   32.348 0.000000 32.34827 
1 1 1   20   36    3 o   86.361   33.005  3709.61  3225.66   0.0000   0.0000  3709.61  3225.66  ?   ?    86.361   33.005 0.000000 33.00526 
1 1 1   20   36    4 o   75.437   30.816  2279.54  2990.05   0.0000   0.0000  2279.54  2990.05  ?   ?    75.437   30.816 0.000000 30.81615 
1 1 1   20   36    5 o  173.824   31.861 15950.83  4331.18   0.0000   0.0000 15950.83  4331.18  ?   ?   173.824   31.861 0.000000 31.86143 
1 1 1   20   36    6 o  189.008   29.387 18420.73  4363.43 22337.58 11060.82 17698.82  4748.54  133.874   57.259  179.189   33.878 -45.31534 66.53026 
1 1 1   20   36    7 o  172.594   31.690 16200.61  4277.38  3132.56 10997.60 18529.79  4642.95   90.977   44.517  183.952   32.261 -92.97500 54.97759 
1 1 1   20   36    8 o   76.004   31.534  2812.97  3195.57   0.0000   0.0000  2812.97  3195.57  ?   ?    76.004   31.534 0.000000 31.53417 
1 1 1   20   36    9 o   83.734   11.176  3035.50  740.847   0.0000   0.0000  3035.50  740.847  ?   ?    83.734   11.176 0.000000 11.17554 
1 1 1   20   36   10 o   38.701   13.427  619.399  515.441   0.0000   0.0000  619.399  515.441  ?   ?    38.701   13.427 0.000000 13.42737 
1 1 1   20   36   11 o   42.584   14.708  789.233  618.130   0.0000   0.0000  789.233  618.130  ?   ?    42.584   14.708 0.000000 14.70819 
1 1 1   20   36   12 o   83.544   12.784  3174.36  839.595   0.0000   0.0000  3174.36  839.595  ?   ?    83.544   12.784 0.000000 12.78370 
1 1 1   20   38    0 o   76.737   31.961  2824.88  3300.88   0.0000   0.0000  2824.88  3300.88  ?   ?    76.737   31.961 0.000000 31.96140 
1 1 1   20   38    1 o  112.595   37.039  8262.90  3920.64   0.0000   0.0000  8262.90  3920.64  ?   ?   112.595   37.039 0.000000 37.03936 
1 1 1   20   38    2 o  124.315   38.565 10337.02  4298.19   0.0000   0.0000 10337.02  4298.19  ?   ?   124.315   38.565 0.000000 38.56488 
1 1 1   20   38    3 o   60.113   27.504 -50.4750  3013.52   0.0000   0.0000 -50.4750  3013.52  ?   ?    60.113   27.504 0.000000 27.50400 
1 1 1   20   38    4 o   71.407   30.030  2303.59  2956.62   0.0000   0.0000  2303.59  2956.62  ?   ?    71.407   30.030 0.000000 30.02982 
1 1 1   20   38    5 o   40.523   20.205 -5233.5869  2676.91   0.0000   0.0000 -5233.5869  2676.91  ?   ?    40.523   20.205 0.000000 20.20528 
1 1 1   20   38    6 o   72.354   32.066  2491.38  3740.23   0.0000   0.0000  2491.38  3740.23  ?   ?    72.354   32.066 0.000000 32.06632 
1 1 1   20   38    7 o   58.004   26.972   0.7032  3071.82   0.0000   0.0000   0.7032  3071.82  ?   ?    58.004   26.972 0.000000 26.97234 
1 1 1   20   38    8 o   70.106   31.524  2791.58  3754.70   0.0000   0.0000  2791.58  3754.70  ?   ?    70.106   31.524 0.000000 31.52416 
1 1 1   20   38    9 o   25.823   10.844   86.276  384.697   0.0000   0.0000   86.276  384.697  ?   ?    25.823   10.844 0.000000 10.84443 
1 1 1   20   40    0 o   73.513   32.194  3496.14  3666.66   0.0000   0.0000  3496.14  3666.66  ?   ?    73.513   32.194 0.000000 32.19402 
1 1 1   20   40    1 o   74.813   33.231  3838.32  4039.02   0.0000   0.0000  3838.32  4039.02  ?   ?    74.813   33.231 0.000000 33.23125 
1 1 1   20   40    2 o   48.405   24.066 -4680.8721  3685.69   0.0000   0.0000 -4680.8721  3685.69  ?   ?    48.405   24.066 0.000000 24.06561 
1 1 1   20   40    3 o   81.138   35.234  5696.26  4312.74   0.0000   0.0000  5696.26  4312.74  ?   ?    81.138   35.234 0.000000 35.23424 
1 1 1   20   40    4 o   67.472   31.221  2490.37  4040.28   0.0000   0.0000  2490.37  4040.28  ?   ?    67.472   31.221 0.000000 31.22132 
1 1 1   20   40    5 o   70.871   31.721  3724.07  3754.49   0.0000   0.0000  3724.07  3754.49  ?   ?    70.871   31.721 0.000000 31.72091 
1 1 1   20   40    6 o   86.717   38.199  9806.14  5229.52   0.0000   0.0000  9806.14  5229.52  ?   ?    86.717   38.199 0.000000 38.19920 
1 1 1   21    1    0 o  581.845   28.415 138753.09 13424.12 131566.00 18982.28 145943.70 18986.86  562.013   41.898  592.830   39.673 -30.81763 57.70125 
1 1 1   21    1    1 o  453.310   15.752 83650.52  5797.92 81935.32  8197.16 85367.66  8201.85  447.434   22.637  457.344   22.087 -9.910645 31.62650 
1 1 1   21    1    2 o  760.864   29.967 237018.59 18513.59 231902.91 32090.47 239570.70 22665.96  744.062   53.473  763.385   36.567 -19.32233 64.78056 
1 1 1   21    1    3 o  437.733   15.334 77937.21  5450.14 75945.77  7705.65 79930.76  7709.68  431.109   22.087  442.898   21.438 -11.78879 30.78084 
1 1 1   21    1    4 o  704.579   23.795 202334.00 13613.04 201881.00 19254.00 202786.91 19249.48  702.399   33.760  703.987   33.676 -1.587830 47.68403 
1 1 1   21    1    5 o  631.076   21.470 162143.91 11001.57 159971.00 15562.11 164314.70 15555.02  625.921   30.620  634.412   30.197 -8.490967 43.00531 
1 1 1   21    1    6 o  331.406   11.803 44623.46  3176.08 44506.54  4496.49 44739.88  4486.85  330.414   16.816  331.287   16.734 -0.8737183 23.72345 
1 1 1   21    1    7 o  449.843   15.428 82262.77  5635.36 84758.43  7975.12 79774.01  7964.08  456.332   21.524  442.117   22.256 14.21506 30.96153 
1 1 1   21    1    8 o  855.872   41.066 300632.31 28538.18 305853.09 40362.28 295413.00 40355.90  856.724   58.370  841.509   59.445 15.21497 83.31126 
1 1 1   21    1    9 o  780.415   26.097 248816.20 16536.99 248159.70 23393.81 249472.00 23379.86  776.918   37.084  779.002   36.963 -2.083374 52.35915 
1 1 1   21    1   10 o  586.214   19.699 140253.91  9376.63 140084.30 13267.53 140423.20 13253.60  584.298   27.965  585.018   27.901 -0.7203369 39.50365 
1 1 1   21    1   11 f  281.791   10.253 32297.67  2346.05 31008.49  3324.86 33575.98  3310.83  275.425   14.923  287.069   14.204 -11.64401 20.60220 
1 1 1   21    1   12 o  189.463   9.2050 14598.12  1416.08 13933.85  2513.58 14906.98  1713.96  183.954   17.021  191.064   11.096 -7.109985 20.31866 
1 1 1   21    1   13 o  358.814   12.930 52471.19  3767.06 54156.56  5334.96 50795.29  5319.94  363.867   18.057  351.817   18.690 12.04968 25.98815 
1 1 1   21    1   14 o  269.145   10.272 29492.85  2244.87 30220.44  3180.92 28770.89  3168.58  271.685   14.472  265.021   14.784 6.663849 20.68770 
1 1 1   21    1   15 o  406.837   14.474 67646.49  4781.17 69990.08  6771.07 65315.98  6752.16  412.524   20.215  397.787   20.979 14.73746 29.13371 
1 1 1   21    1   16 o   95.393   7.8041  3727.71  599.183  3443.14  833.284  4032.37  862.200   91.145   11.517   98.837   10.926 -7.692001 15.87511 
1 1 1   21    1   17 o  253.128   10.014 26153.73  2058.22 26132.61  2912.66 26174.78  2908.87  251.932   14.298  252.144   14.267 -0.2120972 20.19797 
1 1 1   21    1   18 o  196.031   8.7726 15698.45  1396.34 14839.55  1978.36 16551.05  1971.11  189.483   12.936  200.355   12.174 -10.87228 17.76366 
1 1 1   21    1   19 o  114.949   8.8376  5441.70  818.536  5504.75  1154.44  5377.96  1160.75  114.792   12.593  113.384   12.834 1.407417 17.98016 
1 1 1   21    1   20 o  153.339   9.0835  9689.34  1125.92 12038.05  1602.62  7400.28  1582.14  170.195   11.667  132.165   15.009 38.03075 19.01084 
1 1 1   21    1   21 o   77.410   15.947  2625.68  968.982  544.434  2015.10  3251.67  1105.14   58.653   24.736   86.207   16.387 -27.55362 29.67140 
1 1 1   21    1   22 o  144.835   27.178 10124.02  3078.76 10124.02  3078.76   0.0000   0.0000  144.835   27.178  ?   ?  0.000000 27.17780 
1 1 1   21    1   23 o   46.524   16.451  870.163  775.938  870.163  775.938   0.0000   0.0000   46.524   16.451  ?   ?  0.000000 16.45074 
1 1 1   21    1   24 o  134.661   10.853  7762.24  1176.57  7782.10  1762.47  7746.29  1580.24  130.108   17.097  131.480   15.075 -1.372299 22.79373 
1 1 1   21    1   25 o   37.462   14.579  490.027  637.629  357.444  869.855  644.005  937.416   39.010   16.341   43.210   17.399 -4.199665 23.86908 
1 1 1   21    3    0 o  480.878   34.149 95520.34 13246.94   0.0000   0.0000 95520.34 13246.94  ?   ?   480.878   34.149 0.000000 34.14881 
1 1 1   21    3    1 o  763.704   36.983 239991.80 22933.47 246054.91 32446.94 233939.09 32418.72  766.496   52.450  746.696   53.831 19.79956 75.15855 
1 1 1   21    3    2 o  631.405   21.768 162524.30 11160.04 165342.00 15772.49 159699.20 15792.89  635.584   30.563  624.547   31.143 11.03668 43.63419 
1 1 1   21    3    3 o  839.704   28.131 287975.59 19180.23 277518.31 27124.76 298433.31 27125.13  821.656   40.657  852.429   39.190 -30.77301 56.47002 
1 1 1   21    3    4 o  340.416   11.405 47087.41  3152.54 47034.38  4466.99 47140.04  4449.80  340.075   16.177  340.460   16.097 -0.3847351 22.82113 
1 1 1   21    3    5 o  1277.88   42.838 670240.38 44448.36 657884.50 62875.27 682583.88 62843.70  1258.81   61.515  1282.77   60.336 -23.95129 86.16551 
1 1 1   21    3    6 o  1261.08   42.445 652027.88 43461.88 636538.81 61478.80 667502.38 61449.96  1239.52   61.085  1269.93   59.594 -30.40405 85.33935 
1 1 1   21    3    7 o  444.325   17.718 80293.27  6392.36 80743.09 11068.27 80068.14  7830.30  443.707   30.915  443.503   21.744 0.2036438 37.79603 
1 1 1   21    3    8 o  987.571   33.165 398911.59 26594.03 403688.69 37627.97 394143.81 37591.33  989.831   46.818  977.897   47.343 11.93378 66.58284 
1 1 1   21    3    9 o  804.567   27.118 264709.81 17715.77 264066.09 25072.04 265351.69 25035.76  800.647   38.567  802.639   38.415 -1.992065 54.43435 
1 1 1   21    3   10 o  219.532   8.5004 19586.46  1515.23 19259.91  2162.18 19901.59  2124.04  217.224   12.309  220.863   11.888 -3.638855 17.11256 
1 1 1   21    3   11 o  287.653   12.124 33681.86  2831.75 31145.57  3472.13 38719.96  4893.62  275.942   15.560  307.129   19.728 -31.18747 25.12566 
1 1 1   21    3   12 o  781.857   30.869 253003.00 19596.84 262997.81 34021.72 248040.30 23973.34  780.426   54.021  770.179   38.335 10.24744 66.24127 
1 1 1   21    3   13 o  541.166   18.654 119869.60  8196.96 117992.50 11609.09 121735.90 11575.48  533.953   26.863  543.208   26.244 -9.255737 37.55469 
1 1 1   21    3   14 o  113.546   6.9185  5260.55  634.818  5125.09  920.113  5383.61  876.977  111.728   10.257  114.621   9.5088 -2.893051 13.98650 
1 1 1   21    3   15 o  368.954   13.466 55591.03  4034.03 54426.21  5721.36 56742.63  5688.74  363.412   19.460  371.229   18.936 -7.817444 27.15235 
1 1 1   21    3   16 o  384.481   13.811 60472.85  4311.73 62352.73  6119.64 58619.67  6076.00  388.988   19.375  376.498   19.947 12.49008 27.80781 
1 1 1   21    3   17 o   47.504   11.167  959.410  423.474 -219.9098  643.391  1860.81  562.494   29.995   13.296   66.658   10.759 -36.66230 17.10405 
1 1 1   21    3   18 f   98.357   8.5317  3980.56  674.613  4278.35  1008.53  3739.43  907.539  101.254   12.535   94.659   12.083 6.594353 17.41058 
1 1 1   21    3   19 f  195.164   11.063 15724.71  1745.95 18672.08  3480.52 14733.64  2018.26  208.537   20.834  188.197   13.293 20.33998 24.71366 
1 1 1   21    3   20 o   79.027   14.954  2695.24  924.417  3761.56  1978.89  2397.59  1045.50   90.612   25.707   73.809   17.678 16.80244 31.19902 
1 1 1   21    3   21 o   52.539   16.079  1183.08  750.036  1686.41  913.413  141.192  1314.16   61.850   17.437   46.336   19.775 15.51356 26.36481 
1 1 1   21    3   22 o   49.515   14.905  1062.02  648.331  828.349  874.650  1346.97  965.879   47.345   17.370   55.978   18.383 -8.633015 25.29145 
1 1 1   21    3   23 o  117.133   9.7149  5766.37  915.629  5998.67  1261.00  5507.29  1331.68  117.718   13.433  111.880   15.040 5.838333 20.16573 
1 1 1   21    3   24 o   73.169   15.285  2456.33  878.837  3112.05  951.748 -1338.1400  2289.49   82.942   14.669   47.582   22.490 35.35965 26.85126 
1 1 1   21    3   25 o   41.781   16.149  669.676  778.240  669.676  778.240   0.0000   0.0000   41.781   16.149  ?   ?  0.000000 16.14897 
1 1 1   21    5    0 o  575.406   40.471 137049.00 18787.89   0.0000   0.0000 137049.00 18787.89  ?   ?   575.406   40.471 0.000000 40.47054 
1 1 1   21    5    1 o  696.813   33.838 199023.09 19145.03 190924.91 27092.16 207101.00 27058.21  677.087   49.625  706.062   47.473 -28.97467 68.67539 
1 1 1   21    5    2 o  919.611   44.386 348521.91 33142.80 351542.50 46887.59 345505.50 46854.42  914.486   63.540  906.299   64.084 8.186584 90.24459 
1 1 1   21    5    3 o  641.182   20.761 167402.20 10808.35 163668.30 15296.37 171125.41 15274.29  633.000   29.761  647.352   29.059 -14.35175 41.59498 
1 1 1   21    5    4 o  614.570   20.859 153757.41 10409.10 155693.09 14731.75 151827.41 14709.65  617.601   29.377  609.848   29.706 7.752380 41.77858 
1 1 1   21    5    5 o  589.612   19.168 141434.00  9176.81 143001.59 12994.51 139874.41 12961.49  592.257   27.022  585.725   27.254 6.532715 38.37867 
1 1 1   21    5    6 o  1099.09   42.686 495327.81 38093.96 471128.50 65961.27 507438.00 46662.25  1057.48   77.358  1109.86   51.780 -52.37646 93.08788 
1 1 1   21    5    7 o  460.610   15.414 86256.09  5764.87 94690.52  8173.81 77907.98  8131.88  482.320   20.871  436.772   23.011 45.54797 31.06625 
1 1 1   21    5    8 o  619.920   21.206 156553.30 10674.15 156433.00 15115.84 156673.09 15075.29  618.613   30.094  619.102   29.989 -0.4893188 42.48506 
1 1 1   21    5    9 o  821.615   27.583 276413.69 18401.27 282213.00 26045.65 270634.19 26001.05  826.751   38.799  809.343   39.566 17.40765 55.41504 
1 1 1   21    5   10 o  612.272   20.776 153228.70 10328.76 146287.80 14628.81 160128.59 14585.43  595.224   30.369  623.971   28.788 -28.74615 41.84583 
1 1 1   21    5   11 o  114.510   7.4703  5351.65  690.769  5272.51  844.389  5511.79  1201.09  113.495   9.2430  115.610   13.022 -2.114952 15.96870 
1 1 1   21    5   12 o  645.870   25.390 171660.41 13315.29 186465.41 23183.31 164372.50 16265.70  663.480   43.271  628.792   31.964 34.68805 53.79623 
1 1 1   21    5   13 o  275.649   10.315 30927.56  2308.68 29066.23  3285.44 32743.20  3244.87  266.388   15.253  283.306   14.106 -16.91763 20.77562 
1 1 1   21    5   14 o  375.989   13.346 57684.43  4074.54 56667.84  5784.52 58685.52  5740.26  371.164   19.260  378.320   18.687 -7.155884 26.83554 
1 1 1   21    5   15 o  259.906   10.061 27518.06  2123.25 27520.78  3031.16 27515.45  2975.09  259.054   14.468  259.078   14.197 -0.2340698E-01 20.27016 
1 1 1   21    5   16 o  420.699   17.537 72785.80  5990.68 73061.95 10550.03 72654.38  7277.82  414.542   31.581  418.461   21.492 -3.918854 38.20031 
1 1 1   21    5   17 o  281.628   12.933 32525.01  2957.41 29069.24  5285.27 34100.24  3568.34  261.556   25.198  287.391   15.347 -25.83453 29.50403 
1 1 1   21    5   18 o  274.296   15.884 31324.80  3522.43 33509.06  5281.87 29575.29  4727.10  279.708   23.474  263.339   22.317 16.36896 32.38948 
1 1 1   21    5   19 o  322.816   14.104 43294.23  3696.92 44761.79  4582.71 40559.41  6255.91  325.912   17.380  303.790   25.600 22.12155 30.94264 
1 1 1   21    5   20 o  263.356   10.760 28642.08  2300.88 30821.12  3305.09 26592.91  3205.08  270.603   15.102  250.872   15.815 19.73135 21.86800 
1 1 1   21    5   21 o  269.996   11.392 30314.12  2497.38 33372.63  3549.66 27316.32  3514.26  279.962   15.678  251.951   17.283 28.01180 23.33460 
1 1 1   21    5   22 o   76.306   11.209  2481.63  673.763  3584.23  824.156  259.769  1169.93   91.945   11.276   44.685   18.846 47.26030 21.96182 
1 1 1   21    5   23 o   38.153   14.696  462.482  642.738  490.742  776.459  400.964  1145.60   40.684   16.013   45.075   18.806 -4.390274 24.70006 
1 1 1   21    5   24 o   49.882   14.905  1134.63  650.076  862.736  788.822  1710.18  1147.67   45.665   16.535   59.741   20.052 -14.07583 25.99063 
1 1 1   21    5   25 o   65.414   15.107  2043.54  786.209  2347.41  926.030  1258.99  1487.97   69.150   16.685   53.408   21.769 15.74191 27.42756 
1 1 1   21    7    0 o  892.197   62.578 334285.91 45046.79   0.0000   0.0000 334285.91 45046.79  ?   ?   892.197   62.578 0.000000 62.57803 
1 1 1   21    7    1 o  1202.44   58.448 601472.31 57065.69 584915.00 80725.42 618011.12 80680.75  1167.06   85.789  1201.70   83.198 -34.63904 119.5063 
1 1 1   21    7    3 o  521.160   20.924 110571.00  8854.28 106791.40 15426.48 112427.80 10812.69  509.280   37.571  525.181   25.356 -15.90149 45.32660 
1 1 1   21    7    4 o  591.351   19.972 142299.09  9589.52 143786.00 13555.87 140809.80 13567.39  593.761   28.118  587.552   28.439 6.208069 39.99203 
1 1 1   21    7    5 o  509.184   19.982 105491.30  8261.29 102800.40 14232.00 106858.80 10145.51  500.267   35.263  512.197   24.395 -11.92960 42.87848 
1 1 1   21    7    6 o  343.578   11.548 47961.38  3221.68 50078.61  4567.80 45865.61  4544.58  350.955   16.029  335.848   16.665 15.10684 23.12301 
1 1 1   21    7    7 o  509.806   17.382 105731.90  7195.36 118524.40 10195.56 93038.15 10156.10  539.329   23.282  476.878   26.331 62.45099 35.14786 
1 1 1   21    7    8 o  238.510   9.4010 23114.38  1820.62 24374.61  2594.76 21892.31  2555.18  244.479   13.119  231.612   13.647 12.86707 18.93040 
1 1 1   21    7    9 o  605.075   20.382 149465.70 10013.85 147752.70 14184.05 151167.91 14139.49  599.868   29.121  606.860   28.695 -6.992188 40.88324 
1 1 1   21    7   10 o  742.274   28.902 226930.09 17419.21 216883.59 21350.04 246933.20 30126.00  721.714   36.552  762.845   48.894 -41.13147 61.04695 
1 1 1   21    7   11 o  722.253   24.270 214224.00 14232.82 201913.09 20152.43 226475.91 20104.14  695.698   35.797  738.810   33.513 -43.11121 49.03600 
1 1 1   21    7   12 o  147.110   6.9687  8795.49  832.399  8107.03  1198.40  9437.27  1157.07  140.743   10.564  152.024   9.4200 -11.28127 14.15377 
1 1 1   21    7   13 o  312.112   11.371 39679.89  2881.77 39336.14  4106.30 40013.49  4045.26  309.781   16.383  312.513   15.995 -2.732239 22.89700 
1 1 1   21    7   14 o  484.038   19.770 96236.91  7770.12 94901.23 13642.01 96878.29  9453.38  473.275   35.764  484.304   24.040 -11.02875 43.09248 
1 1 1   21    7   15 o  253.867   11.641 26291.27  2399.56 27582.39  4376.37 25736.27  2869.31  257.799   21.092  250.494   14.165 7.305649 25.40708 
1 1 1   21    7   16 o  194.971   12.548 15607.57  1975.95 17735.96  3046.13 14061.38  2596.29  206.644   18.345  183.997   17.593 22.64720 25.41759 
1 1 1   21    7   17 o  326.365   14.032 43816.79  3718.57 45014.17  4592.51 41537.28  6336.61  329.278   17.237  312.368   25.198 16.91022 30.52943 
1 1 1   21    7   18 o  217.220   9.2809 19314.81  1636.93 20593.88  2343.26 18095.69  2287.69  223.061   12.994  208.867   13.563 14.19398 18.78277 
1 1 1   21    7   19 o  125.318   8.5459  6462.65  864.390  7209.78  1262.57  5803.51  1185.90  131.588   11.947  117.776   12.596 13.81234 17.36068 
1 1 1   21    7   20 o   85.823   10.154  3078.66  693.864  3138.07  957.257  3012.89  1007.19   85.518   14.290   83.407   15.441 2.110992 21.03863 
1 1 1   21    7   21 o  105.881   10.082  4681.79  856.310  5846.15  1150.50  3235.64  1282.18  117.705   12.216   84.797   19.083 32.90714 22.65818 
1 1 1   21    7   22 o   40.069   13.863  631.648  549.240  919.213  658.544 -25.4575  995.483   46.671   15.172   38.955   16.922 7.716331 22.72761 
1 1 1   21    7   23 o   90.035   11.046  3470.88  790.615  3682.88  996.636  3110.98  1298.53   91.498   13.848   80.847   19.912 10.65135 24.25416 
1 1 1   21    7   24 o   51.602   14.712  1227.62  646.463  861.878  776.441  2054.06  1167.16   45.375   16.409   64.308   20.120 -18.93251 25.96296 
1 1 1   21    9    0 o  165.641   10.647 11193.25  1424.37   0.0000   0.0000 11193.25  1424.37  ?   ?   165.641   10.647 0.000000 10.64691 
1 1 1   21    9    1 f  701.839   27.736 200953.00 15806.20 209449.50 27383.46 196707.80 19356.33  711.636   47.666  693.486   34.375 18.15015 58.76837 
1 1 1   21    9    2 o  719.061   31.674 211178.41 18492.85 181218.41 32158.22 225981.09 22604.29  658.207   60.861  741.990   37.643 -83.78381 71.56097 
1 1 1   21    9    4 o  304.560   12.350 37689.91  3053.99 47236.51  5407.71 33219.24  3700.62  340.170   19.662  285.395   16.034 54.77524 25.37145 
1 1 1   21    9    5 o  1035.54   39.605 439324.19 33300.86 482741.81 57786.04 417736.00 40747.29  1074.79   66.543  1007.12   49.828 67.66260 83.13165 
1 1 1   21    9    6 o  1452.66   56.621 874964.00 66785.41 938700.88 115790.80 843190.31 81754.49  1472.25   97.412  1415.79   71.347 56.46692 120.7457 
1 1 1   21    9    7 o  256.367   10.591 26708.87  2204.56 31431.83  3123.14 22018.50  3112.34  278.016   13.835  232.013   16.631 46.00273 21.63361 
1 1 1   21    9    8 o  419.140   13.865 71489.17  4718.70 72351.41  6682.29 70631.59  6664.24  421.177   19.540  416.123   19.724 5.053986 27.76393 
1 1 1   21    9    9 o  293.654   12.366 35095.60  2948.63 33999.32  3624.22 37242.06  5071.26  288.412   15.533  301.109   20.871 -12.69681 26.01698 
1 1 1   21    9   10 o  540.619   18.507 119417.20  8123.88 114586.90 11506.61 124217.90 11471.28  527.025   26.980  549.755   25.698 -22.72992 37.25998 
1 1 1   21    9   11 o  405.712   14.215 67109.01  4682.84 64355.79  6645.48 69824.52  6599.81  395.832   20.749  413.041   19.679 -17.20938 28.59664 
1 1 1   21    9   12 o   35.407   11.655  486.834  388.183 -162.6504  916.861  628.683  428.482   37.295   16.221   39.369   12.170 -2.074017 20.27869 
1 1 1   21    9   13 o  218.767   10.721 19491.70  1904.39 14531.84  3482.54 21607.58  2274.61  186.364   23.539  229.904   12.229 -43.53990 26.52618 
1 1 1   21    9   14 o  466.569   19.646 89477.63  7442.84 90324.62  9140.25 87810.75 12822.45  466.700   24.203  454.995   34.976 11.70508 42.53342 
1 1 1   21    9   15 o  214.991   10.208 18841.02  1781.96 18772.27  2206.68 18969.88  3021.14  213.982   12.759  214.196   17.524 -0.2139130 21.67673 
1 1 1   21    9   16 o   20.790   9.3080 -146.5309  323.510  268.810  431.890 -677.4860  488.315   31.401   12.059   21.070   10.079 10.33069 15.71659 
1 1 1   21    9   17 o  103.195   7.7343  4367.44  643.354  3152.96  945.198  5415.79  878.173   86.436   13.942  114.712   9.5142 -28.27610 16.87892 
1 1 1   21    9   18 o   32.628   11.786  366.857  400.399  236.241  526.720  545.659  616.265   32.932   13.117   39.991   14.594 -7.058952 19.62256 
1 1 1   21    9   19 o  346.021   13.165 49737.36  3698.83 55246.27  5291.68 44474.30  5172.25  361.094   18.048  322.047   19.877 39.04764 26.84832 
1 1 1   21    9   20 f   80.469   9.6343  2705.85  616.972  2966.20  783.073  2279.68  1001.87   83.729   11.849   71.780   17.376 11.94915 21.03162 
1 1 1   21    9   21 o   31.971   12.340  291.336  453.934   72.612  546.929  775.563  813.781   30.647   12.904   45.976   16.772 -15.32895 21.16150 
1 1 1   21    9   22 o   74.756   11.264  2393.59  662.464  2302.65  794.380  2601.25  1200.43   72.319   14.034   74.856   19.541 -2.537117 24.05829 
1 1 1   21    9   23 o  146.302   10.502  9082.75  1239.26  9117.44  1698.72  9043.29  1811.90  143.623   14.778  142.077   15.984 1.545822 21.76822 
1 1 1   21    9   24 o   92.788   11.318  3767.41  835.068  4112.45  1002.49  2985.30  1509.30   95.780   13.245   74.685   22.800 21.09525 26.36792 
1 1 1   21   11    0 o  731.631   35.461 218919.70 21065.85   0.0000   0.0000 218919.70 21065.85  ?   ?   731.631   35.461 0.000000 35.46080 
1 1 1   21   11    1 o  693.624   27.481 196176.91 15477.08 216610.59 26823.21 185978.41 18949.79  724.663   45.822  673.598   34.766 51.06549 57.51817 
1 1 1   21   11    2 o  2149.54  108.488 2006047.00 188739.30 2071090.00 266945.41 1941031.00 266890.09  2111.61  156.813  2033.91  162.977 77.69812 226.1673 
1 1 1   21   11    3 f  1467.26   71.186 899750.31 84808.98 933383.62 119973.10 866156.19 119903.00  1470.37  101.103  1412.70  105.286 57.67664 145.9696 
1 1 1   21   11    4 f  403.054   17.953 66084.25  5875.53 54658.12 10330.01 71548.52  7143.61  363.834   35.416  418.704   21.080 -54.86960 41.21468 
1 1 1   21   11    5 o  279.882   10.657 31827.87  2421.77 47911.01  4348.28 24595.68  2915.87  343.234   15.602  245.511   14.695 97.72330 21.43281 
1 1 1   21   11    6 o  1199.36   45.168 594751.12 43986.75 684175.31 76328.91 550287.19 53822.69  1264.85   74.652  1145.59   58.052 119.2523 94.56734 
1 1 1   21   11    7 o  806.473   30.728 267069.31 20121.87 303068.81 35001.57 249298.59 24591.82  849.359   50.989  775.511   39.181 73.84760 64.30375 
1 1 1   21   11    8 o  549.867   29.814 124818.40 13261.31 124818.40 13261.31   0.0000   0.0000  549.867   29.814  ?   ?  0.000000 29.81373 
1 1 1   21   11    9 f  183.266   8.8862 13655.40  1322.32 17935.92  2444.39 11884.52  1572.23  209.291   14.473  170.510   11.422 38.78088 18.43722 
1 1 1   21   11   10 o  250.361   11.113 25511.41  2259.14 30057.03  4096.70 23525.02  2708.14  270.489   18.769  239.841   13.967 30.64809 23.39542 
1 1 1   21   11   11 o  689.502   34.808 198821.30 19424.41 190116.80 27613.53 207347.41 27329.21  662.674   51.730  694.564   48.768 -31.89014 71.09361 
1 1 1   21   11   12 o  257.725   14.834 27209.81  3091.17 25762.37  4548.49 28452.09  4213.82  249.237   22.726  262.641   19.907 -13.40479 30.21201 
1 1 1   21   11   13 o  352.585   14.990 50812.81  4291.47 51754.20  5272.19 48964.31  7387.79  354.778   18.365  342.621   26.769 12.15677 32.46264 
1 1 1   21   11   14 o  247.155   10.462 24895.50  2099.63 25947.27  2993.07 23876.46  2946.13  251.427   14.725  241.076   15.127 10.35121 21.11105 
1 1 1   21   11   15 o  387.882   14.708 61667.69  4632.38 61101.20  6579.52 62224.54  6523.21  383.585   21.207  387.259   20.822 -3.674591 29.72027 
1 1 1   21   11   16 o   77.912   8.4253  2503.99  524.512  2729.38  719.557  2248.45  766.180   80.914   11.257   72.888   13.441 8.026337 17.53266 
1 1 1   21   11   17 o   14.923   7.3748 -738.3328  327.098 -489.3085  400.402 -1237.9500  567.145   19.656   9.3244   19.832   9.7838 -0.1757145 13.51544 
1 1 1   21   11   18 o   66.993   8.8302  1869.57  468.624  2696.59  585.175  390.831  782.481   80.612   9.0994   40.448   16.026 40.16426 18.42898 
1 1 1   21   11   19 o  276.649   11.214 31645.10  2519.10 34525.75  3604.63 28895.16  3521.90  286.195   15.570  261.025   16.705 25.17065 22.83601 
1 1 1   21   11   20 o  106.131   8.6740  4665.23  740.946  4036.79  957.937  5601.14  1169.02   97.655   12.358  115.133   12.717 -17.47873 17.73240 
1 1 1   21   11   21 o   49.856   11.822  1081.60  471.318  910.418  538.529  1641.85  974.260   45.932   13.527   60.711   18.270 -14.77888 22.73304 
1 1 1   21   11   22 o   47.738   13.216  1004.66  529.766  1184.13  617.748  505.774  1029.95   51.603   14.266   44.692   18.152 6.910694 23.08728 
1 1 1   21   11   23 o   26.535   11.870 -169.3016  525.000 -268.6921  612.222  106.880  1020.55   27.777   12.587   39.712   17.192 -11.93517 21.30772 
1 1 1   21   11   24 o   64.270   12.295  1867.63  618.252  1280.45  725.188  3429.90  1182.89   51.898   15.795   83.481   17.982 -31.58252 23.93430 
1 1 1   21   13    0 o  834.839   40.400 285852.81 27385.29   0.0000   0.0000 285852.81 27385.29  ?   ?   834.839   40.400 0.000000 40.39954 
1 1 1   21   13    1 o  659.739   26.258 177480.59 14066.26 177982.80 24393.91 177230.41 17216.85  656.157   46.078  658.551   32.198 -2.393799 56.21311 
1 1 1   21   13    2 o  827.039   32.851 279673.69 22060.68 306085.31 38186.26 266443.09 27027.18  858.052   55.101  804.505   41.516 53.54712 68.99042 
1 1 1   21   13    3 o  912.985   44.051 343144.31 32655.85 354472.31 46231.11 331864.00 46133.74  919.690   62.276  888.810   64.361 30.87946 89.55799 
1 1 1   21   13    4 o  201.916   12.049 16631.17  1966.46  9956.00  3594.94 19481.31  2349.06  153.432   29.931  218.490   13.304 -65.05782 32.75467 
1 1 1   21   13    5 o  459.001   15.868 85759.13  5913.91 113728.30 10445.92 72565.71  7174.41  527.631   24.383  421.807   20.948 105.8232 32.14510 
1 1 1   21   13    6 o  784.518   30.169 252889.59 19217.69 272715.91 33471.46 243139.80 23472.01  804.063   51.539  766.677   37.705 37.38507 63.85906 
1 1 1   21   13    7 o  409.341   22.438 68788.38  7429.42 54242.85 10694.60 82355.14 10328.52  359.695   37.153  446.519   28.639 -86.82373 46.90979 
1 1 1   21   13    8 o  270.876   14.933 30001.89  3271.62 32427.45  4736.13 27788.12  4524.64  280.719   20.929  259.614   21.662 21.10513 30.12094 
1 1 1   21   13    9 o  395.517   20.256 64203.02  6483.37 66799.20  9299.06 61747.30  9043.99  401.301   28.729  385.645   29.097 15.65558 40.88943 
1 1 1   21   13   10 o  675.284   27.084 188199.70 14850.35 187735.20 18185.98 189129.09 25726.97  671.632   33.348  663.980   48.044 7.652283 58.48332 
1 1 1   21   13   11 o  212.136   8.4628 18303.37  1457.70 17885.72  2057.62 18724.19  2065.40  209.148   12.169  214.039   11.932 -4.890884 17.04260 
1 1 1   21   13   12 o  222.043   11.267 20141.42  2024.72 15139.61  3787.10 22143.33  2395.88  189.797   25.197  232.652   12.731 -42.85458 28.23074 
1 1 1   21   13   13 f  280.475   10.557 32056.74  2404.32 30760.86  3406.59 33342.98  3393.90  273.752   15.388  285.176   14.707 -11.42401 21.28609 
1 1 1   21   13   14 o  150.833   7.8099  9283.80  953.211  8170.48  1331.50 10454.23  1365.22  140.992   11.737  159.762   10.584 -18.77049 15.80484 
1 1 1   21   13   15 o   37.595   10.577  592.798  336.434  604.647  392.618  560.057  652.655   38.345   11.612   41.056   15.014 -2.710842 18.97999 
1 1 1   21   13   16 o   35.063   10.808  502.739  338.216  339.918  392.847  969.084  664.848   31.940   11.653   48.586   15.183 -16.64680 19.13938 
1 1 1   21   13   17 o   29.062   11.134  236.622  367.662 -40.8922  438.791  890.587  673.586   26.238   11.316   47.022   15.347 -20.78453 19.06789 
1 1 1   21   13   18 o  138.572   8.1379  7889.91  911.619  8647.92  1254.38  7041.40  1327.15  144.470   10.771  129.732   12.764 14.73882 16.70129 
1 1 1   21   13   19 o   73.174   9.1771  2236.57  533.265  2621.99  643.100  1388.32  954.068   79.064   10.259   57.187   18.229 21.87695 20.91798 
1 1 1   21   13   20 o  132.426   8.9715  7267.20  958.970  7935.63  1252.15  6318.96  1491.38  137.609   11.306  120.990   15.540 16.61917 19.21815 
1 1 1   21   13   21 o  129.037   9.1207  6936.89  949.450  6500.77  1253.26  7524.36  1454.57  123.437   12.685  132.350   13.735 -8.913414 18.69660 
1 1 1   21   13   22 o  101.505   9.7389  4353.28  792.817  4069.65  959.624  4963.15  1407.16   96.917   12.485  104.472   17.186 -7.555199 21.24240 
1 1 1   21   13   23 o  142.742   10.155  8706.54  1169.26  9289.92  1558.89  7956.20  1767.93  144.857   13.406  130.751   17.059 14.10690 21.69625 
1 1 1   21   13   24 o   31.513   12.427  307.165  468.499  244.702  480.399  1521.30  2117.98   30.669   12.418   57.592   24.850 -26.92291 27.78005 
1 1 1   21   15    0 o  654.522   32.094 175512.30 17056.24   0.0000   0.0000 175512.30 17056.24  ?   ?   654.522   32.094 0.000000 32.09375 
1 1 1   21   15    1 o  936.094   36.905 360247.69 28050.72 363144.09 48637.12 358804.19 34336.69  925.713   65.122  931.234   45.411 -5.521484 79.39172 
1 1 1   21   15    2 o  240.449   11.689 23504.78  2282.10 28898.60  3974.16 20851.16  2787.50  265.696   18.538  225.844   15.291 39.85181 24.03022 
1 1 1   21   15    3 o  226.653   13.412 20971.91  2457.35 25360.78  3551.15 16939.36  3403.95  248.866   17.689  202.683   20.988 46.18292 27.44791 
1 1 1   21   15    4 o  311.799   24.414 40020.58  6131.55 40020.58  6131.55   0.0000   0.0000  311.799   24.414  ?   ?  0.000000 24.41401 
1 1 1   21   15    5 o  177.308   17.920 12956.32  2544.51 12956.32  2544.51   0.0000   0.0000  177.308   17.920  ?   ?  0.000000 17.92015 
1 1 1   21   15    6 o  570.339   28.929 134363.91 13353.04 124734.70 18985.50 143790.00 18784.21  543.676   43.368  585.687   39.734 -42.01044 58.81858 
1 1 1   21   15    7 o  161.458   11.842 10668.68  1541.70  9319.21  2271.36 11821.51  2099.37  149.794   19.110  169.562   15.417 -19.76791 24.55336 
1 1 1   21   15    8 f  496.832   20.517 101095.60  8276.94 94875.81 14580.00 104053.20 10054.09  474.864   38.135  503.084   24.613 -28.22031 45.38843 
1 1 1   21   15    9 o   44.210   11.257  826.434  405.176  2020.93  852.673  478.055  460.487   69.006   15.586   36.365   12.687 32.64109 20.09706 
1 1 1   21   15   10 o  327.078   13.948 43648.68  3704.23 45562.14  6710.82 42810.21  4442.28  331.427   25.124  323.097   16.993 8.330414 30.33107 
1 1 1   21   15   11 o  398.944   17.329 65175.87  5613.49 57581.41 10034.30 68635.31  6772.39  369.144   33.855  408.715   20.407 -39.57111 39.52969 
1 1 1   21   15   12 o  105.914   9.8870  4608.33  840.440  1772.21  1789.11  5411.38  952.018   70.187   24.963  114.791   10.325 -44.60335 27.01341 
1 1 1   21   15   13 o  245.588   11.578 24613.01  2308.76 28400.69  4390.33 23165.16  2714.39  261.515   20.849  237.544   14.137 23.97067 25.19002 
1 1 1   21   15   14 o   65.413   7.9755  1768.27  414.838  1074.79  511.311  3103.96  709.611   50.279   12.561   86.612   10.292 -36.33271 16.23862 
1 1 1   21   15   15 o  156.335   8.3577  9998.80  1057.07 12020.48  1495.75  7981.58  1494.09  171.039   10.826  138.719   13.433 32.31953 17.25261 
1 1 1   21   15   16 o  163.082   9.1439 10916.98  1205.93 14159.94  1723.48  7806.35  1687.95  185.244   11.515  136.286   15.531 48.95721 19.33426 
1 1 1   21   15   17 o  268.487   11.761 29754.12  2563.85 34344.71  3678.38 25416.77  3575.48  286.121   15.896  244.818   18.115 41.30380 24.10073 
1 1 1   21   15   18 o   78.246   8.4281  2540.01  527.017  2862.49  621.177  1711.55  995.634   82.916   9.3922   62.677   18.374 20.23897 20.63566 
1 1 1   21   15   19 o  108.037   8.6313  4832.71  750.843  4909.50  937.281  4695.15  1254.44  108.312   10.802  104.384   15.250 3.927261 18.68820 
1 1 1   21   15   20 o  102.005   8.9150  4332.12  730.960  4399.24  884.555  4187.62  1298.00  102.206   10.824   97.203   17.069 5.002708 20.21104 
1 1 1   21   15   21 o   42.002   12.256  764.528  443.876  374.904  490.312  2534.17  1044.94   34.068   12.904   74.361   17.583 -40.29325 21.81006 
1 1 1   21   15   22 o   45.268   11.975  910.172  446.931  858.456  488.569  1175.37  1106.37   44.026   12.861   52.828   19.511 -8.802006 23.36880 
1 1 1   21   15   23 o   40.712   12.096  742.186  429.087  825.870  467.069  289.527  1086.29   42.761   12.599   41.540   17.860 1.220829 21.85675 
1 1 1   21   17    0 o  367.453   27.945 55759.86  8275.13   0.0000   0.0000 55759.86  8275.13  ?   ?   367.453   27.945 0.000000 27.94487 
1 1 1   21   17    1 o  285.156   23.654 33516.51  5427.30 33516.51  5427.30   0.0000   0.0000  285.156   23.654  ?   ?  0.000000 23.65379 
1 1 1   21   17    2 o  768.758   55.851 253105.50 34624.49 253105.50 34624.49   0.0000   0.0000  768.758   55.851  ?   ?  0.000000 55.85113 
1 1 1   21   17    3 o  326.568   17.817 43662.57  4706.54 43664.98  6745.97 43660.27  6569.63  325.104   25.767  325.233   25.071 -0.1295776 35.95087 
1 1 1   21   17    4 o  524.482   26.647 113429.40 11310.72 110752.90 16090.10 116044.10 15903.08  513.812   38.854  526.604   37.437 -12.79144 53.95511 
1 1 1   21   17    5 o  548.617   27.388 123980.50 12200.07 128275.70 17355.42 119784.80 17153.36  552.754   38.918  533.622   39.877 19.13226 55.72065 
1 1 1   21   17    6 f  218.010   13.539 19442.52  2384.77 21683.54  3473.07 17443.32  3280.34  229.519   18.801  205.504   19.909 24.01508 27.38303 
1 1 1   21   17    7 o  298.583   11.460 36299.22  2778.27 46333.74  5149.10 32178.07  3299.83  335.973   18.952  280.504   14.538 55.46835 23.88619 
1 1 1   21   17    8 o  299.529   13.345 36579.89  3245.56 37149.93  5969.28 36340.65  3867.10  299.316   24.784  297.840   16.050 1.475983 29.52735 
1 1 1   21   17    9 f  142.166   8.8324  8253.94  1014.51  9521.88  2142.00  7887.25  1151.91  151.507   17.748  138.809   10.294 12.69737 20.51734 
1 1 1   21   17   10 o  164.417   9.6745 11043.09  1285.86  8593.52  2555.18 11873.82  1488.00  142.700   22.822  170.384   10.812 -27.68416 25.25311 
1 1 1   21   17   11 o  201.436   11.199 16592.69  1824.54 11568.03  3509.69 18453.50  2135.83  164.775   27.180  212.293   12.445 -47.51779 29.89380 
1 1 1   21   17   12 o  312.005   14.214 39828.73  3600.88 37692.34  6663.27 40710.01  4279.61  299.131   27.750  314.520   16.819 -15.38821 32.44881 
1 1 1   21   17   13 o  214.618   11.022 18857.84  1914.21 22191.44  3813.52 17735.01  2213.23  230.598   20.584  207.731   13.190 22.86725 24.44705 
1 1 1   21   17   14 o  226.604   11.701 21089.78  2145.50 28007.81  4553.68 19115.86  2432.40  257.735   21.969  215.166   13.999 42.56868 26.05031 
1 1 1   21   17   15 o  299.119   13.632 36932.06  3310.91 45364.01  6541.24 34027.73  3839.01  324.449   25.023  285.526   16.631 38.92288 30.04579 
1 1 1   21   17   16 o  348.931   15.135 50724.14  4288.07 65918.83  8285.91 45166.17  5011.33  386.986   26.530  326.397   18.991 60.58923 32.62663 
1 1 1   21   17   17 o   29.779   13.647 -494.8116  745.908  3026.69  2794.65 -764.9210  773.986   85.075   31.074   28.352   13.299 56.72271 33.80065 
1 1 1   21   17   18 o   49.434   17.411  943.183  868.311  108.135  2646.50  1043.92  919.194   62.659   27.398   51.479   17.927 11.17999 32.74193 
1 1 1   21   17   19 o   64.143   18.036  1839.31  978.571  2998.32  3043.41  1705.66  1033.45   82.936   31.969   62.034   18.851 20.90246 37.11294 
1 1 1   21   17   20 o   36.355   10.265  566.776  316.320  701.568  335.629 -504.6021  946.237   40.251   10.244   33.826   15.452 6.424290 18.53927 
1 1 1   21   17   21 o   16.414   7.9975 -605.2529  344.135 -466.8172  369.172 -1523.2700  950.671   18.525   8.8347   27.402   13.338 -8.876776 15.99880 
1 1 1   21   17   22 o   42.370   11.533  800.241  407.395  854.241  441.639  491.990  1055.18   43.680   12.057   43.658   18.118 0.2210617E-01 21.76288 
1 1 1   21   17   23 o  121.525   10.976  6498.14  1071.34  6894.82  1204.26  4992.84  2345.91  124.199   12.095   85.947   28.669 38.25172 31.11624 
1 1 1   21   19    0 o  428.519   32.288 76520.90 11151.92   0.0000   0.0000 76520.90 11151.92  ?   ?   428.519   32.288 0.000000 32.28817 
1 1 1   21   19    1 o  1091.71   55.845 515430.31 49336.86   0.0000   0.0000 515430.31 49336.86  ?   ?   1091.71   55.845 0.000000 55.84453 
1 1 1   21   19    2 o  154.648   10.356  9774.16  1292.92 10418.54  2294.51  9474.38  1565.05  158.651   18.138  151.976   12.802 6.675018 22.20076 
1 1 1   21   19    3 o  406.450   17.693 67508.19  5839.21 66893.52 10130.85 67813.98  7145.53  400.657   31.392  406.133   21.747 -5.476013 38.18936 
1 1 1   21   19    4 o  249.222   15.268 25437.30  3074.72 23034.31  4469.29 27596.64  4236.66  235.626   23.681  258.787   20.326 -23.16084 31.20774 
1 1 1   21   19    5 o  427.743   22.428 75327.44  7762.52 75424.70 11115.75 75234.86 10844.98  424.817   32.471  424.568   31.687 0.2484741 45.37035 
1 1 1   21   19    6 o  133.991   9.4761  7341.02  1024.31  4713.74  2157.20  8105.82  1163.90  104.874   25.565  140.751   10.255 -35.87746 27.54493 
1 1 1   21   19    7 o  185.411   9.7734 14029.84  1466.16 15078.90  2954.98 13687.25  1688.68  190.848   19.336  182.950   11.425 7.897720 22.45903 
1 1 1   21   19    8 o  230.277   10.953 21601.31  2047.95 19973.58  3984.27 22185.78  2387.48  219.087   22.728  232.898   12.673 -13.81082 26.02227 
1 1 1   21   19    9 o  323.585   14.947 42805.08  3927.11 39356.51  7247.74 44238.34  4672.46  305.920   29.546  328.062   17.605 -22.14160 34.39320 
1 1 1   21   19   10 o  488.327   20.550 98228.20  8148.02 97608.35 14586.48 98509.32  9823.55  477.288   37.952  486.776   24.938 -9.488434 45.41199 
1 1 1   21   19   11 o  230.099   11.102 21600.65  2074.12 26199.14  4137.03 20056.71  2397.16  251.152   20.465  221.077   13.418 30.07515 24.47120 
1 1 1   21   19   12 o  348.610   15.525 49925.36  4394.64 48768.20  8164.99 50397.30  5214.35  337.981   30.067  348.943   18.470 -10.96185 35.28634 
1 1 1   21   19   13 o  198.713   11.358 16219.34  1824.99 13607.64  3919.63 16942.23  2062.15  176.601   28.290  202.843   12.583 -26.24127 30.96158 
1 1 1   21   19   14 o  277.315   13.016 31690.67  2930.88 39613.48  5976.55 29182.01  3363.04  303.595   24.452  264.785   15.713 38.81079 29.06520 
1 1 1   21   19   15 o  212.288   11.499 18618.37  1974.64 25080.58  4357.63 16948.53  2215.12  240.930   22.537  201.816   13.597 39.11441 26.32091 
1 1 1   21   19   16 o  184.140   11.661 14072.96  1734.45 16510.04  4050.70 13525.82  1919.30  191.224   26.827  179.949   13.229 11.27553 29.91086 
1 1 1   21   19   17 o   80.581   14.449  2800.70  910.646  2285.05  2969.45  2854.23  956.746   79.337   31.287   81.176   15.070 -1.838799 34.72756 
1 1 1   21   19   18 o   71.358   16.618  2260.82  944.931  7019.28  3830.39  1952.47  975.067  114.620   36.525   66.126   17.777 48.49409 40.62090 
1 1 1   21   19   19 o   76.707   16.852  2642.12  1020.92 -171.6906  3602.20  2887.88  1064.57   67.310   30.515   80.266   16.870 -12.95598 34.86754 
1 1 1   21   19   20 o  154.952   14.851 10502.22  1845.58   0.0000   0.0000 10502.22  1845.58  ?   ?   154.952   14.851 0.000000 14.85077 
1 1 1   21   19   21 o  111.763   16.134  5699.91  1421.76   0.0000   0.0000  5699.91  1421.76  ?   ?   111.763   16.134 0.000000 16.13441 
1 1 1   21   19   22 o   36.606   16.538 -203.2973  1047.73   0.0000   0.0000 -203.2973  1047.73  ?   ?    36.606   16.538 0.000000 16.53836 
1 1 1   21   21    0 o  509.312   26.457 107347.00 10903.27   0.0000   0.0000 107347.00 10903.27  ?   ?   509.312   26.457 0.000000 26.45654 
1 1 1   21   21    1 o  408.328   21.949 68661.67  7250.39   0.0000   0.0000 68661.67  7250.39  ?   ?   408.328   21.949 0.000000 21.94877 
1 1 1   21   21    2 o  370.356   16.742 56064.83  5034.50 55304.24  8817.43 56432.73  6132.38  363.941   30.109  370.404   20.469 -6.462891 36.40771 
1 1 1   21   21    3 o  456.404   19.685 85383.77  7294.96 83161.55 12678.38 86483.61  8919.33  444.426   35.428  457.644   24.088 -13.21823 42.84135 
1 1 1   21   21    4 o  416.385   18.499 71010.53  6254.38 70507.34 10842.83 71261.43  7656.52  409.854   32.858  415.585   22.777 -5.730988 39.98040 
1 1 1   21   21    5 o  351.991   19.383 50962.58  5518.35 53852.74  8000.66 48339.93  7621.40  359.509   27.619  340.443   27.814 19.06689 39.19736 
1 1 1   21   21    6 o  410.393   14.783 68808.36  4926.01 79141.76  9046.18 64452.71  5873.14  436.687   25.625  396.542   18.241 40.14465 31.45415 
1 1 1   21   21    7 o  244.122   10.488 24277.48  2079.01 29738.69  4182.39 22485.16  2396.01  268.427   19.318  234.423   12.634 34.00488 23.08319 
1 1 1   21   21    8 o  303.157   12.505 37508.61  3078.15 41540.41  5892.02 35995.14  3609.95  316.240   23.106  296.256   15.057 19.98468 27.57879 
1 1 1   21   21    9 o  322.365   13.759 42487.32  3601.47 46648.10  6866.39 40908.24  4230.03  334.038   25.509  315.398   16.576 18.64078 30.42125 
1 1 1   21   21   10 o  407.223   17.249 68190.71  5703.51 67613.34 10499.26 68432.41  6793.26  397.786   32.799  406.332   20.658 -8.545654 38.76252 
1 1 1   21   21   11 o  286.417   12.432 33579.86  2891.17 45002.38  5873.71 29927.48  3321.38  327.960   22.188  269.424   15.245 58.53601 26.92052 
1 1 1   21   21   12 o  346.308   14.609 49422.96  4107.79 63148.11  7964.34 44448.43  4794.77  384.828   25.635  326.636   18.150 58.19241 31.41006 
1 1 1   21   21   13 o  117.548   10.575  5711.54  998.522 10584.53  3162.18  5171.84  1052.36  154.987   26.052  111.559   11.797 43.42756 28.59841 
1 1 1   21   21   14 o  179.926   11.215 13379.20  1630.33 14810.05  3925.74 13080.99  1792.18  181.911   27.430  177.518   12.514 4.393295 30.15008 
1 1 1   21   21   15 o   49.630   16.998  967.320  824.810  5630.27  3180.98  631.215  854.019  108.491   33.096   44.868   17.022 63.62268 37.21637 
1 1 1   21   21   16 o   75.742   15.078  2491.98  894.720  6498.30  3596.96  2227.75  923.754  113.648   35.283   71.224   16.323 42.42422 38.87557 
1 1 1   21   21   17 o   46.723   16.583  834.643  789.207 -2413.7830  3823.20  979.225  806.579   62.565   29.415   49.257   16.809 13.30819 33.87910 
1 1 1   21   21   18 o   93.613   14.009  3793.41  1032.10  2882.07  4620.56  3841.27  1058.85   86.522   37.007   94.089   14.311 -7.567551 39.67756 
1 1 1   21   21   19 o   23.276   11.525 -1786.9790  813.102   0.0000   0.0000 -1786.9790  813.102  ?   ?    23.276   11.525 0.000000 11.52536 
1 1 1   21   21   20 o   54.044   19.405  1274.35  1083.55   0.0000   0.0000  1274.35  1083.55  ?   ?    54.044   19.405 0.000000 19.40459 
1 1 1   21   21   21 o   36.876   16.324 -39.5751  966.623   0.0000   0.0000 -39.5751  966.623  ?   ?    36.876   16.324 0.000000 16.32424 
1 1 1   21   23    0 o  784.694   40.296 262379.91 25587.60   0.0000   0.0000 262379.91 25587.60  ?   ?   784.694   40.296 0.000000 40.29568 
1 1 1   21   23    1 o  441.922   23.770 80813.64  8498.02   0.0000   0.0000 80813.64  8498.02  ?   ?   441.922   23.770 0.000000 23.77023 
1 1 1   21   23    2 o  261.159   14.044 27930.26  2967.07 24260.05  5273.11 29630.63  3589.17  240.315   27.520  268.576   16.539 -28.26070 32.10737 
1 1 1   21   23    3 o  156.203   11.636 10000.84  1465.19  8744.75  2683.68 10534.25  1748.84  143.719   23.832  160.069   13.584 -16.34926 27.43175 
1 1 1   21   23    4 o  228.267   13.192 21339.85  2434.68 20850.62  4256.95 21577.67  2968.03  223.438   23.832  229.064   16.059 -5.626556 28.73778 
1 1 1   21   23    5 o  203.670   13.092 17004.91  2153.54 16047.31  3723.89 17486.09  2639.72  195.596   23.948  206.078   15.899 -10.48238 28.74474 
1 1 1   21   23    6 o  185.506   14.820 14166.11  2213.64 12217.47  3440.84 15542.18  2891.47  169.724   25.779  193.626   18.621 -23.90213 31.80077 
1 1 1   21   23    7 o  194.680   9.8979 15483.41  1559.44 15641.08  3414.50 15441.85  1752.94  193.303   22.154  194.253   11.161 -0.9498444 24.80688 
1 1 1   21   23    8 o  197.793   10.363 15998.33  1658.59 18478.10  3585.32 15323.16  1870.81  210.318   21.288  193.325   11.977 16.99336 24.42598 
1 1 1   21   23    9 o   85.833   9.6208  3041.89  658.969  4447.54  2120.30  2891.60  693.303  101.103   25.756   83.528   10.451 17.57550 27.79573 
1 1 1   21   23   10 o  292.392   14.284 35148.32  3391.18 33586.19  6930.27 35640.11  3888.52  277.900   31.255  293.419   16.387 -15.51843 35.29061 
1 1 1   21   23   11 f  142.872   10.311  8399.23  1188.09  6906.46  3519.71  8591.19  1262.17  122.808   34.090  144.402   10.844 -21.59367 35.77347 
1 1 1   21   23   12 o   61.843   13.705  1641.52  670.110 -397.3146  2472.97  1803.09  696.156   59.528   26.243   64.875   13.648 -5.347248 29.57980 
1 1 1   21   23   13 o   90.393   11.210  3415.47  805.086  5984.83  2771.57  3178.69  841.365  113.541   29.717   86.907   12.264 26.63413 32.14828 
1 1 1   21   23   14 o  174.938   11.527 12706.59  1628.10 17730.90  4450.99 11930.51  1749.33  196.612   28.729  169.035   12.842 27.57724 31.46817 
1 1 1   21   23   15 o   30.462   13.491 -190.6522  660.972  973.382  3523.69 -233.1036  672.916   75.078   32.220   30.317   13.509 44.76083 34.93763 
1 1 1   21   23   16 o  119.287   13.223  6039.48  1259.20  5614.42  4627.38  6073.48  1308.59  104.071   39.589  119.421   13.746 -15.34978 41.90752 
1 1 1   21   23   17 o  150.180   12.590  9558.93  1521.11 11873.86  5368.49  9356.86  1586.11  138.142   43.140  148.205   13.323 -10.06306 45.15060 
1 1 1   21   23   18 o   42.843   16.867  546.482  861.718 -5381.0679  4950.53  731.692  875.077   60.753   29.757   45.542   17.242 15.21129 34.39145 
1 1 1   21   23   19 o  113.859   15.546  5815.09  1399.68   0.0000   0.0000  5815.09  1399.68  ?   ?   113.859   15.546 0.000000 15.54613 
1 1 1   21   23   20 o  115.441   18.015  6353.46  1633.50   0.0000   0.0000  6353.46  1633.50  ?   ?   115.441   18.015 0.000000 18.01516 
1 1 1   21   25    0 o  544.044   28.877 124088.50 12710.54   0.0000   0.0000 124088.50 12710.54  ?   ?   544.044   28.877 0.000000 28.87683 
1 1 1   21   25    1 o  660.756   34.521 185306.50 18456.81   0.0000   0.0000 185306.50 18456.81  ?   ?   660.756   34.521 0.000000 34.52133 
1 1 1   21   25    2 o  169.284   15.329 11827.70  2084.22   0.0000   0.0000 11827.70  2084.22  ?   ?   169.284   15.329 0.000000 15.32942 
1 1 1   21   25    3 o   68.704   17.976  2010.31  1014.39  3312.43  1837.51  1439.54  1216.57   88.070   24.697   61.124   20.645 26.94662 32.18946 
1 1 1   21   25    4 o  329.348   16.642 44623.17  4436.08 42798.19  7806.62 45493.50  5391.05  317.595   30.653  331.557   20.120 -13.96146 36.66697 
1 1 1   21   25    5 o  119.107   15.863  5919.00  1496.01  5922.12  2549.56  5917.36  1847.49  116.725   27.375  118.207   19.959 -1.482018 33.87833 
1 1 1   21   25    6 o  130.983   16.189  7151.57  1685.16  6005.16  2768.83  7826.06  2123.80  117.123   29.213  136.292   19.768 -19.16808 35.27287 
1 1 1   21   25    7 f  452.653   15.317 84200.01  5629.73 102718.50 10663.00 77042.90  6628.95  493.272   26.723  431.623   18.915 61.64917 32.73933 
1 1 1   21   25    8 o  336.492   14.088 46535.62  3849.05 58359.33  7844.98 42786.94  4417.27  370.477   26.249  321.343   16.990 49.13416 31.26772 
1 1 1   21   25    9 o  261.888   12.570 28180.26  2672.97 35544.93  5980.36 26341.72  2988.04  287.649   25.882  252.260   14.651 35.38850 29.74139 
1 1 1   21   25   10 o  190.203   10.898 14895.98  1676.01 18518.64  4524.08 14319.70  1804.40  204.834   27.929  186.198   11.999 18.63652 30.39771 
1 1 1   21   25   11 o  135.389   10.166  7567.15  1109.38 17214.16  3903.66  6719.56  1157.09  198.097   24.814  127.278   11.314 70.81923 27.27137 
1 1 1   21   25   12 o  200.362   11.799 16641.87  1911.12 19886.03  4803.96 16031.91  2083.05  208.978   29.101  196.153   13.155 12.82507 31.93634 
1 1 1   21   25   13 o   79.598   12.117  2683.76  758.443  4441.04  3227.91  2581.07  780.288   97.584   33.616   77.852   12.788 19.73214 35.96641 
1 1 1   21   25   14 o  174.748   11.726 12743.79  1654.08 20683.74  5133.75 11824.05  1747.26  207.553   31.448  167.806   12.923 39.74670 33.99957 
1 1 1   21   25   15 o  125.636   12.533  6670.84  1261.48 10457.54  4808.50  6390.96  1307.27  135.850   40.524  122.628   13.345 13.22218 42.66441 
1 1 1   21   25   16 o   74.379   16.489  2475.39  969.704 -5918.3530  4630.29  2860.42  991.695   58.873   28.824   80.363   15.761 -21.49004 32.85181 
1 1 1   21   25   17 f  131.997   13.967  7550.38  1474.23   0.0000   0.0000  7550.38  1474.23  ?   ?   131.997   13.967 0.000000 13.96730 
1 1 1   21   25   18 o   45.540   17.963  679.676  979.048   0.0000   0.0000  679.676  979.048  ?   ?    45.540   17.963 0.000000 17.96325 
1 1 1   21   25   19 o   50.617   19.136  1085.50  1076.90   0.0000   0.0000  1085.50  1076.90  ?   ?    50.617   19.136 0.000000 19.13560 
1 1 1   21   25   20 o   75.347   26.633  3618.29  2033.49   0.0000   0.0000  3618.29  2033.49  ?   ?    75.347   26.633 0.000000 26.63257 
1 1 1   21   27    0 o  422.868   24.204 74828.70  8276.13   0.0000   0.0000 74828.70  8276.13  ?   ?   422.868   24.204 0.000000 24.20428 
1 1 1   21   27    1 o  182.583   17.236 13842.15  2525.05   0.0000   0.0000 13842.15  2525.05  ?   ?   182.583   17.236 0.000000 17.23609 
1 1 1   21   27    2 o  262.353   18.322 28534.20  3878.52   0.0000   0.0000 28534.20  3878.52  ?   ?   262.353   18.322 0.000000 18.32214 
1 1 1   21   27    3 o  125.784   15.364  6594.33  1536.53  5861.29  2946.91  6868.03  1800.67  115.325   30.863  127.852   17.831 -12.52676 35.64323 
1 1 1   21   27    4 o  204.635   17.721 17419.88  2915.44   0.0000   0.0000 17419.88  2915.44  ?   ?   204.635   17.721 0.000000 17.72123 
1 1 1   21   27    5 o  200.293   15.588 16627.56  2515.15 20827.53  4820.49 15056.47  2948.27  219.889   27.608  189.446   19.442 30.44260 33.76662 
1 1 1   21   27    6 o  144.328   16.582  8728.24  1907.99 11239.58  3832.72  7900.83  2199.96  158.834   30.830  136.090   20.549 22.74414 37.05093 
1 1 1   21   27    7 o  223.033   18.507 20895.76  3321.28 21011.65  5664.25 20835.04  4100.08  215.951   33.380  220.618   23.238 -4.667465 40.67208 
1 1 1   21   27    8 o  151.961   11.083  9533.93  1358.12  7460.22  4027.28  9800.02  1442.62  125.636   36.990  153.952   11.626 -28.31554 38.77378 
1 1 1   21   27    9 o   34.960   11.845  468.864  400.519  2301.89  2766.81  429.630  404.782   80.255   30.592   34.116   11.896 46.13910 32.82378 
1 1 1   21   27   10 o  182.497   10.655 13757.21  1572.07 18200.92  4498.55 13139.04  1677.86  200.505   28.428  178.031   11.672 22.47412 30.73065 
1 1 1   21   27   11 o  241.851   11.733 24209.92  2304.02 36624.39  6142.42 22177.19  2485.51  285.277   26.833  230.478   13.339 54.79843 29.96535 
1 1 1   21   27   12 o   97.699   11.617  4011.30  903.485  7918.89  3850.54  3783.64  929.432  124.713   36.013   94.627   12.395 30.08607 38.08621 
1 1 1   21   27   13 o  200.621   12.592 16880.51  2040.88 18386.49  5779.25 16665.94  2181.43  185.931   39.500  198.815   13.595 -12.88341 41.77360 
1 1 1   21   27   14 o  138.153   11.862  8036.95  1317.69  3405.50  4873.39  8402.25  1368.67   91.230   38.470  141.197   12.054 -49.96600 40.31434 
1 1 1   21   27   15 f   87.033   15.518  3344.07  1056.40  8572.29  5539.54  3146.76  1076.15  114.486   43.372   84.007   16.365 30.47893 46.35638 
1 1 1   21   27   16 o   53.108   18.366  1205.26  963.996   0.0000   0.0000  1205.26  963.996  ?   ?    53.108   18.366 0.000000 18.36640 
1 1 1   21   27   17 o  146.378   15.196  9550.50  1779.78   0.0000   0.0000  9550.50  1779.78  ?   ?   146.378   15.196 0.000000 15.19594 
1 1 1   21   27   18 o   56.864   19.919  1548.25  1135.64   0.0000   0.0000  1548.25  1135.64  ?   ?    56.864   19.919 0.000000 19.91928 
1 1 1   21   27   19 o   74.411   24.085  3261.98  1660.59   0.0000   0.0000  3261.98  1660.59  ?   ?    74.411   24.085 0.000000 24.08469 
1 1 1   21   29    0 o  137.210   19.357  7999.39  2096.67   0.0000   0.0000  7999.39  2096.67  ?   ?   137.210   19.357 0.000000 19.35721 
1 1 1   21   29    1 o  219.981   18.935 20322.27  3349.10   0.0000   0.0000 20322.27  3349.10  ?   ?   219.981   18.935 0.000000 18.93461 
1 1 1   21   29    2 o  207.963   19.055 18203.27  3181.83   0.0000   0.0000 18203.27  3181.83  ?   ?   207.963   19.055 0.000000 19.05500 
1 1 1   21   29    3 o   99.053   21.981  4295.34  1721.71   0.0000   0.0000  4295.34  1721.71  ?   ?    99.053   21.981 0.000000 21.98120 
1 1 1   21   29    4 o   77.701   22.058  2630.23  1456.46  7408.25  3620.71  1707.84  1590.84  126.207   34.393   66.726   23.559 59.48096 41.68870 
1 1 1   21   29    5 o  115.915   19.320  5790.17  1754.38  7849.98  3939.51  5280.62  1959.40  128.691   36.188  109.454   22.788 19.23780 42.76529 
1 1 1   21   29    6 o   93.197   21.955  3847.68  1634.06  5524.65  3857.75  3481.00  1803.89  109.397   36.764   88.330   24.362 21.06711 44.10310 
1 1 1   21   29    7 o   71.445   21.228  2224.40  1321.41 -963.3341  3677.48  2697.00  1415.98   69.031   31.105   78.103   21.602 -9.071632 37.86997 
1 1 1   21   29    8 o  120.698   8.7727  6004.31  853.869 18594.84  4613.14  5557.66  868.882  201.863   28.976  115.987   9.3043 85.87617 30.43302 
1 1 1   21   29    9 o  141.923   10.563  8352.83  1208.49  8365.98  5108.25  8352.05  1243.80  126.179   42.306  141.825   10.884 -15.64554 43.68320 
1 1 1   21   29   10 o  233.955   11.922 22785.36  2257.26 30014.45  6663.24 21848.20  2399.12  248.849   33.856  228.558   12.981 20.29114 36.25915 
1 1 1   21   29   11 o   69.202   12.590  2056.83  681.375  8387.48  4069.31  1874.22  691.133  126.070   37.201   65.780   13.395 60.28976 39.53875 
1 1 1   21   29   12 o   45.811   14.813  873.886  628.247  9438.88  5085.13  741.128  633.097  126.898   42.204   43.324   14.890 83.57371 44.75362 
1 1 1   21   29   13 o   57.767   14.865  1478.04  701.296  4700.96  5666.32  1427.90  706.730   97.174   41.256   56.778   15.077 40.39604 43.92484 
1 1 1   21   29   14 o  202.206   12.894 17428.34  2105.91 28435.30  7002.95 16334.01  2208.11  218.494   40.979  194.870   14.050 23.62453 43.32016 
1 1 1   21   29   15 o  180.684   14.332 14237.42  2085.36   0.0000   0.0000 14237.42  2085.36  ?   ?   180.684   14.332 0.000000 14.33180 
1 1 1   21   29   16 o   94.852   18.387  4256.06  1365.00   0.0000   0.0000  4256.06  1365.00  ?   ?    94.852   18.387 0.000000 18.38724 
1 1 1   21   29   17 o   64.931   20.770  2162.94  1237.69   0.0000   0.0000  2162.94  1237.69  ?   ?    64.931   20.770 0.000000 20.76964 
1 1 1   21   31    0 o  262.987   20.764 29662.82  4397.86   0.0000   0.0000 29662.82  4397.86  ?   ?   262.987   20.764 0.000000 20.76419 
1 1 1   21   31    1 o   63.135   23.276  1442.10  1573.24   0.0000   0.0000  1442.10  1573.24  ?   ?    63.135   23.276 0.000000 23.27630 
1 1 1   21   31    2 o   85.244   23.883  3251.13  1719.21   0.0000   0.0000  3251.13  1719.21  ?   ?    85.244   23.883 0.000000 23.88346 
1 1 1   21   31    3 o  173.288   20.501 12976.97  2828.63   0.0000   0.0000 12976.97  2828.63  ?   ?   173.288   20.501 0.000000 20.50076 
1 1 1   21   31    4 o  217.595   20.947 20472.29  3655.27   0.0000   0.0000 20472.29  3655.27  ?   ?   217.595   20.947 0.000000 20.94749 
1 1 1   21   31    5 o   79.398   23.332  2816.33  1603.68  3670.84  4489.88  2691.38  1716.94   96.748   38.371   78.004   24.403 18.74416 45.47325 
1 1 1   21   31    6 o   37.697   17.255 -719.3764  1187.74 -5068.2002  3941.78 -285.1011  1245.63   57.377   27.747   41.956   18.554 15.42136 33.37891 
1 1 1   21   31    7 o   60.689   23.452  1207.76  1640.96  1180.70  4488.96  1211.94  1762.98   82.878   35.968   61.897   24.199 20.98125 43.35114 
1 1 1   21   31    8 o  104.770   10.001  4571.63  840.435  1762.51  5126.40  4649.21  851.962   88.052   38.326  105.649   10.053 -17.59687 39.62231 
1 1 1   21   31    9 o  115.546   10.050  5562.14  933.532 11765.72  6019.99  5409.29  944.963  139.801   45.892  113.853   10.334 25.94798 47.04165 
1 1 1   21   31   10 o   91.765   10.661  3543.06  779.533  2353.02  6072.96  3563.00  786.036   91.523   40.696   92.007   10.723 -0.4845200 42.08523 
1 1 1   21   31   11 o  197.513   12.354 16463.15  1971.35 20506.37  7776.86 16185.51  2037.91  169.900   51.730  195.495   12.911 -25.59486 53.31663 
1 1 1   21   31   12 o  138.445   11.682  8117.55  1300.89 14141.94  6243.94  7844.18  1330.08  141.295   46.755  135.831   12.189 5.463562 48.31827 
1 1 1   21   31   13 o  119.591   13.959  6228.59  1330.00   0.0000   0.0000  6228.59  1330.00  ?   ?   119.591   13.959 0.000000 13.95929 
1 1 1   21   31   14 o   79.784   17.505  2968.75  1102.87   0.0000   0.0000  2968.75  1102.87  ?   ?    79.784   17.505 0.000000 17.50518 
1 1 1   21   31   15 o   67.132   18.466  2192.69  1038.05   0.0000   0.0000  2192.69  1038.05  ?   ?    67.132   18.466 0.000000 18.46604 
1 1 1   21   31   16 o  138.271   14.805  8797.21  1636.29   0.0000   0.0000  8797.21  1636.29  ?   ?   138.271   14.805 0.000000 14.80451 
1 1 1   21   33    0 f  190.930   21.489 16055.01  3273.49   0.0000   0.0000 16055.01  3273.49  ?   ?   190.930   21.489 0.000000 21.48886 
1 1 1   21   33    1 o  127.554   25.494  7489.52  2548.09   0.0000   0.0000  7489.52  2548.09  ?   ?   127.554   25.494 0.000000 25.49405 
1 1 1   21   33    2 o  151.808   23.864 10402.29  2844.48   0.0000   0.0000 10402.29  2844.48  ?   ?   151.808   23.864 0.000000 23.86395 
1 1 1   21   33    3 o  152.882   25.056 10673.24  3002.53   0.0000   0.0000 10673.24  3002.53  ?   ?   152.882   25.056 0.000000 25.05577 
1 1 1   21   33    4 o   93.392   30.582  4156.31  2673.97   0.0000   0.0000  4156.31  2673.97  ?   ?    93.392   30.582 0.000000 30.58244 
1 1 1   21   33    5 o  153.769   22.649 10653.33  2743.20 15777.88  6888.31  9687.42  2990.57  160.112   48.670  143.942   26.566 16.16992 55.44885 
1 1 1   21   33    6 o   84.274   28.303  3313.37  2286.32  7398.49  5905.33  2593.06  2479.71  114.263   44.395   78.169   29.143 36.09389 53.10561 
1 1 1   21   33    7 o   92.256   29.512  4167.23  2498.95 -2701.7749  6239.25  5479.67  2727.25   77.769   36.868  104.599   30.338 -26.82914 47.74544 
1 1 1   21   33    8 o   89.925   9.8796  3392.71  709.477  587.486  6474.13  3426.81  713.776   86.203   39.759   90.379   9.8878 -4.176094 40.97031 
1 1 1   21   33    9 o   79.844   9.7958  2686.41  621.744  1995.41  6654.95  2692.49  624.475   89.088   40.802   79.926   9.8297 9.162231 41.96943 
1 1 1   21   33   10 o  244.070   13.667 25508.40  2697.55 42473.16  9247.11 23930.42  2820.22  257.863   45.845  235.296   14.837 22.56679 48.18611 
1 1 1   21   33   11 o  100.773   12.410  4378.64  993.991 -2634.9360  8508.14  4475.69  1000.84   79.750   39.051  101.927   12.345 -22.17708 40.95597 
1 1 1   21   33   12 o   49.775   16.036  1099.02  736.835   0.0000   0.0000  1099.02  736.835  ?   ?    49.775   16.036 0.000000 16.03631 
1 1 1   21   33   13 o   34.091   14.247  193.319  659.010   0.0000   0.0000  193.319  659.010  ?   ?    34.091   14.247 0.000000 14.24686 
1 1 1   21   33   14 o   80.699   17.758  3168.05  1132.01   0.0000   0.0000  3168.05  1132.01  ?   ?    80.699   17.758 0.000000 17.75791 
1 1 1   21   33   15 o   38.811   17.350   0.1673  1119.56   0.0000   0.0000   0.1673  1119.56  ?   ?    38.811   17.350 0.000000 17.35008 
1 1 1   21   35    0 o   46.196   20.998 -686.1760  1719.82   0.0000   0.0000 -686.1760  1719.82  ?   ?    46.196   20.998 0.000000 20.99761 
1 1 1   21   35    1 o  160.723   28.677 12545.85  3605.08   0.0000   0.0000 12545.85  3605.08  ?   ?   160.723   28.677 0.000000 28.67653 
1 1 1   21   35    2 o  172.119   28.856 14409.09  3890.00   0.0000   0.0000 14409.09  3890.00  ?   ?   172.119   28.856 0.000000 28.85580 
1 1 1   21   35    3 o  117.402   33.898  7328.99  3411.71   0.0000   0.0000  7328.99  3411.71  ?   ?   117.402   33.898 0.000000 33.89791 
1 1 1   21   35    4 o   61.357   27.249   27.021  2714.45   0.0000   0.0000   27.021  2714.45  ?   ?    61.357   27.249 0.000000 27.24900 
1 1 1   21   35    5 o  112.868   31.452  6673.47  2990.01   0.0000   0.0000  6673.47  2990.01  ?   ?   112.868   31.452 0.000000 31.45243 
1 1 1   21   35    6 o  194.804   25.663 18200.38  3960.38 21313.94  9901.82 17607.44  4321.06  148.330   57.527  187.383   29.365 -39.05327 64.58846 
1 1 1   21   35    7 o  170.185   29.753 14830.56  3961.70   0.0000   0.0000 14830.56  3961.70  ?   ?   170.185   29.753 0.000000 29.75289 
1 1 1   21   35    8 o   38.227   11.760  622.214  400.617 -31583.1191  8295.70  697.497  401.085  ?   ?    40.141   11.632 0.000000 11.63213 
1 1 1   21   35    9 o   86.044   10.997  3174.58  750.735   0.0000   0.0000  3174.58  750.735  ?   ?    86.044   10.997 0.000000 10.99711 
1 1 1   21   35   10 o  147.559   11.918  9381.79  1415.79   0.0000   0.0000  9381.79  1415.79  ?   ?   147.559   11.918 0.000000 11.91836 
1 1 1   21   35   11 o   48.738   13.757  1079.63  568.222   0.0000   0.0000  1079.63  568.222  ?   ?    48.738   13.757 0.000000 13.75720 
1 1 1   21   35   12 o   87.578   13.801  3485.60  948.905   0.0000   0.0000  3485.60  948.905  ?   ?    87.578   13.801 0.000000 13.80098 
1 1 1   21   35   13 o   79.103   14.881  2954.72  920.725   0.0000   0.0000  2954.72  920.725  ?   ?    79.103   14.881 0.000000 14.88129 
1 1 1   21   37    0 o   65.820   28.944  788.102  2990.71   0.0000   0.0000  788.102  2990.71  ?   ?    65.820   28.944 0.000000 28.94391 
1 1 1   21   37    1 o   92.308   33.568  4762.83  3256.10   0.0000   0.0000  4762.83  3256.10  ?   ?    92.308   33.568 0.000000 33.56833 
1 1 1   21   37    2 o   67.174   29.138  1128.05  2942.78   0.0000   0.0000  1128.05  2942.78  ?   ?    67.174   29.138 0.000000 29.13757 
1 1 1   21   37    3 o  136.112   34.870 10701.04  3871.04   0.0000   0.0000 10701.04  3871.04  ?   ?   136.112   34.870 0.000000 34.86997 
1 1 1   21   37    4 o   80.142   31.197  3288.38  2920.45   0.0000   0.0000  3288.38  2920.45  ?   ?    80.142   31.197 0.000000 31.19730 
1 1 1   21   37    5 f   62.914   27.812  719.921  2796.37   0.0000   0.0000  719.921  2796.37  ?   ?    62.914   27.812 0.000000 27.81213 
1 1 1   21   37    6 o   70.877   30.883  1856.58  3336.19   0.0000   0.0000  1856.58  3336.19  ?   ?    70.877   30.883 0.000000 30.88278 
1 1 1   21   37    7 o   85.833   34.547  4712.56  3694.46   0.0000   0.0000  4712.56  3694.46  ?   ?    85.833   34.547 0.000000 34.54747 
1 1 1   21   37    8 o   70.947   31.191  2346.20  3471.34   0.0000   0.0000  2346.20  3471.34  ?   ?    70.947   31.191 0.000000 31.19107 
1 1 1   21   37    9 o  117.712   10.919  6005.62  1031.74   0.0000   0.0000  6005.62  1031.74  ?   ?   117.712   10.919 0.000000 10.91897 
1 1 1   21   37   10 o   57.604   11.978  1502.02  541.963   0.0000   0.0000  1502.02  541.963  ?   ?    57.604   11.978 0.000000 11.97768 
1 1 1   21   37   11 o   73.226   13.325  2484.09  763.090   0.0000   0.0000  2484.09  763.090  ?   ?    73.226   13.325 0.000000 13.32520 
1 1 1   21   39    0 o  132.566   39.688 12933.59  4606.01   0.0000   0.0000 12933.59  4606.01  ?   ?   132.566   39.688 0.000000 39.68795 
1 1 1   21   39    1 o   72.213   31.793  2474.12  3618.00   0.0000   0.0000  2474.12  3618.00  ?   ?    72.213   31.793 0.000000 31.79315 
1 1 1   21   39    2 o   67.049   29.868  1636.42  3286.50   0.0000   0.0000  1636.42  3286.50  ?   ?    67.049   29.868 0.000000 29.86798 
1 1 1   21   39    3 o   57.373   27.396 -1236.2380  3573.42   0.0000   0.0000 -1236.2380  3573.42  ?   ?    57.373   27.396 0.000000 27.39610 
1 1 1   21   39    4 o   64.882   29.984  1017.12  3709.06   0.0000   0.0000  1017.12  3709.06  ?   ?    64.882   29.984 0.000000 29.98442 
1 1 1   21   39    5 o   62.133   28.601  915.661  3327.21   0.0000   0.0000  915.661  3327.21  ?   ?    62.133   28.601 0.000000 28.60140 
1 1 1   21   39    6 o   62.254   29.578  492.936  4059.92   0.0000   0.0000  492.936  4059.92  ?   ?    62.254   29.578 0.000000 29.57810 
1 1 1   21   39    7 o  101.058   40.863 11814.63  5194.32   0.0000   0.0000 11814.63  5194.32  ?   ?   101.058   40.863 0.000000 40.86251 
1 1 1   21   39    8 o   79.211   34.176  6165.02  4005.43   0.0000   0.0000  6165.02  4005.43  ?   ?    79.211   34.176 0.000000 34.17622 
1 1 1   21   41    0 o   59.507   28.213  1032.43  3655.35   0.0000   0.0000  1032.43  3655.35  ?   ?    59.507   28.213 0.000000 28.21272 
1 1 1   21   41    1 o   73.453   33.482  5185.52  4412.85   0.0000   0.0000  5185.52  4412.85  ?   ?    73.453   33.482 0.000000 33.48221 
1 1 1   21   41    2 o   43.085   21.598 -4944.9302  3248.31   0.0000   0.0000 -4944.9302  3248.31  ?   ?    43.085   21.598 0.000000 21.59813 
1 1 1   21   41    3 o   62.029   30.079  1680.66  4712.55   0.0000   0.0000  1680.66  4712.55  ?   ?    62.029   30.079 0.000000 30.07855 
1 1 1   22    0    0 o  949.165   67.091 380206.69 51113.20   0.0000   0.0000 380206.69 51113.20  949.165   67.091  949.165   67.091 0.000000 0.000000 
1 1 1   22    0    3 o  123.927   8.8333  6331.46  878.474  4801.04  1279.92  7694.53  1207.91  105.188   16.108  136.301   11.083 0.000000 0.000000 
1 1 1   22    0    4 o  880.113   42.142 318605.00 29958.02 340807.59 42410.01 296492.19 42324.19  905.312   58.247  841.949   62.710 0.000000 0.000000 
1 1 1   22    0    5 o  209.646   11.716 18018.07  1980.19 17107.19  2839.04 18881.01  2763.30  202.937   17.530  213.760   16.132 0.000000 0.000000 
1 1 1   22    0    6 o  466.593   22.617 89141.22  8522.82 100721.20 12091.17 77706.05 12015.36  494.646   30.367  432.617   34.720 0.000000 0.000000 
1 1 1   22    0    7 o  290.078   14.793 34450.11  3463.63 39643.48  4935.00 29408.33  4862.44  310.431   19.762  266.017   22.902 0.000000 0.000000 
1 1 1   22    0    8 o  774.266   54.003 249511.20 33571.18   0.0000   0.0000 249511.20 33571.18  774.266   54.003  774.266   54.003 0.000000 0.000000 
1 1 1   22    0    9 o  764.207   36.782 240481.30 22702.80 258940.09 32146.75 222114.50 32066.63  788.383   50.699  727.697   54.993 0.000000 0.000000 
1 1 1   22    0   10 o  601.452   28.810 148844.00 13996.25 175510.09 19837.37 122411.40 19750.30  650.546   37.848  538.956   45.898 0.000000 0.000000 
1 1 1   22    0   11 o  118.593   9.0921  5814.63  863.679  7961.81  1311.39  4169.88  1147.75  138.439   11.867   97.685   15.682 0.000000 0.000000 
1 1 1   22    0   12 o  515.935   37.128 111426.00 15368.75 111426.00 15368.75   0.0000   0.0000  515.935   37.128  515.935   37.128 0.000000 0.000000 
1 1 1   22    0   13 o  139.975   10.233  8092.19  1148.73  7279.23  1655.16  8847.69  1595.59  130.748   16.270  145.521   13.788 0.000000 0.000000 
1 1 1   22    0   14 o  425.784   21.721 74718.58  7464.97 71888.55 10619.66 77482.86 10495.55  413.886   32.042  430.643   30.362 0.000000 0.000000 
1 1 1   22    0   15 o  190.919   12.041 15013.52  1849.58 15793.61  2694.55 14318.50  2543.40  194.410   17.390  184.922   17.286 0.000000 0.000000 
1 1 1   22    0   16 o   59.020   16.262  1706.35  673.922  1336.93  975.604  2043.51  932.029   47.148   22.386   62.515   20.660 0.000000 0.000000 
1 1 1   22    0   17 o  218.492   13.244 19703.49  2329.88 20374.28  3434.91 19131.89  3170.80  220.134   19.573  213.528   18.614 0.000000 0.000000 
1 1 1   22    0   18 o   87.427   12.759  3317.12  849.382  2875.92  1290.95  3653.92  1127.91   73.806   24.274   89.782   17.334 0.000000 0.000000 
1 1 1   22    0   19 o  108.008   13.280  4997.87  1117.41  6567.89  2248.38  4482.88  1287.69  116.767   27.280  100.040   17.440 0.000000 0.000000 
1 1 1   22    0   20 o  157.484   13.344 10430.72  1678.11 14002.06  2948.87  8720.27  2040.77  179.075   21.042  141.127   18.731 0.000000 0.000000 
1 1 1   22    0   21 o   49.752   27.866  1533.80  1691.60  1533.80  1691.60   0.0000   0.0000   49.752   27.866   49.752   27.866 0.000000 0.000000 
1 1 1   22    0   23 o   44.182   22.000  1267.48  957.833   0.0000   0.0000  1267.48  957.833   44.182   22.000   44.182   22.000 0.000000 0.000000 
1 1 1   22    0   24 o   23.593   15.584 -90.2921  773.384 -834.7948  2181.48   16.734  827.107   34.652   23.813   25.369   16.533 0.000000 0.000000 
1 1 1   22    0   25 o   25.265   16.596   4.8126  858.028   0.0000   0.0000   4.8126  858.028   25.265   16.596   25.265   16.596 0.000000 0.000000 
1 1 1   22    2    0 o  619.486   30.110 157288.59 15145.24 144100.80 21409.64 170498.50 21427.57  587.857   45.200  641.027   41.389 -53.17072 61.28702 
1 1 1   22    2    1 o  885.719   34.838 322195.31 25054.88 327125.50 43412.30 319732.81 30680.19  880.140   61.126  879.704   42.952 0.4354248 74.70766 
1 1 1   22    2    2 o  571.161   19.256 132857.30  8930.27 131591.50 12616.85 134128.20 12641.80  567.528   27.380  572.999   27.172 -5.471313 38.57381 
1 1 1   22    2    3 o  1062.81   74.962 479833.09 64274.78   0.0000   0.0000 479833.09 64274.78  ?   ?   1062.81   74.962 0.000000 74.96171 
1 1 1   22    2    4 o  1005.16   33.465 413210.91 27312.95 415623.00 38631.11 410800.00 38621.59  1004.41   47.368  998.480   47.638 5.927734 67.17990 
1 1 1   22    2    6 o  810.229   27.024 267577.19 17778.81 260032.00 25151.97 275111.59 25134.11  797.037   38.865  820.012   37.749 -22.97449 54.17978 
1 1 1   22    2    7 o  968.003   32.611 382713.59 25631.59 393407.31 36260.61 372034.09 36236.50  978.626   45.633  951.356   46.910 27.26990 65.44402 
1 1 1   22    2    8 o  1026.63   34.556 431428.91 28805.62 433279.50 40749.96 429580.59 40724.65  1024.61   48.981  1020.16   49.164 4.445251 69.39960 
1 1 1   22    2    9 o  341.926   11.964 47533.43  3321.45 48559.26  4710.31 46518.89  4684.29  345.353   16.798  337.569   17.146 7.784637 24.00327 
1 1 1   22    2   10 o  103.193   6.0975  4340.71  508.635  3652.57  730.050  4989.83  709.045   94.294   9.6721  110.527   7.9539 -16.23279 12.52256 
1 1 1   22    2   11 o  738.127   24.920 223670.41 14935.72 209057.30 21135.34 238247.50 21109.29  708.064   36.890  758.056   34.295 -49.99237 50.36869 
1 1 1   22    2   12 o  327.250   13.681 43644.01  3635.24 45021.05  6369.56 42978.82  4427.03  330.251   23.915  323.992   16.887 6.258911 29.27640 
1 1 1   22    2   13 f  262.573   9.9295 28055.23  2116.97 28068.11  3007.90 28042.59  2980.00  261.938   14.196  261.836   14.068 0.1019287 19.98580 
1 1 1   22    2   14 o   88.934   7.4655  3238.56  534.110  3233.22  763.055  3243.70  747.865   88.440   10.854   88.622   10.604 -0.1812439 15.17371 
1 1 1   22    2   15 o  435.554   15.518 77620.72  5487.89 77275.97  7775.82 77962.85  7746.36  432.282   22.229  434.270   22.041 -1.987915 31.30348 
1 1 1   22    2   16 o  361.104   13.305 53315.55  3901.14 51610.17  5525.59 55010.43  5508.53  353.394   19.330  365.102   18.644 -11.70773 26.85582 
1 1 1   22    2   17 o  303.643   11.628 37717.93  2866.91 36413.71  4057.15 39018.66  4051.70  296.635   16.915  307.300   16.296 -10.66516 23.48784 
1 1 1   22    2   18 o  187.218   8.9044 14324.94  1353.60 15744.59  1970.22 13055.82  1862.84  195.268   12.492  177.612   13.008 17.65631 18.03452 
1 1 1   22    2   19 o  191.296   11.009 15107.20  1702.74 17409.47  3384.35 14326.91  1970.27  201.199   21.027  185.613   13.158 15.58609 24.80475 
1 1 1   22    2   20 o  200.685   13.979 16882.51  2263.64 17505.93  3586.64 16469.79  2918.28  199.536   22.532  195.885   18.570 3.650833 29.19822 
1 1 1   22    2   21 o  194.155   10.858 15675.14  1704.94 15875.01  2156.37 15341.82  2784.67  194.008   13.778  187.947   18.486 6.061264 23.05632 
1 1 1   22    2   22 o  145.156   9.5441  8769.46  1118.62 10771.49  1623.77  6961.10  1543.23  159.521   12.640  126.794   15.299 32.72744 19.84485 
1 1 1   22    2   23 o   79.009   14.046  2752.62  868.088  3237.37  976.822  931.684  1893.25   85.591   14.578   58.095   24.202 27.49546 28.25350 
1 1 1   22    2   24 o  126.663   11.024  6891.15  1122.51  6088.31  1597.95  7673.28  1577.20  114.217   17.811  130.669   15.146 -16.45192 23.38059 
1 1 1   22    2   25 o   47.065   15.249  1030.76  665.573  416.983  857.002  1963.61  1056.54   39.452   16.346   61.985   19.102 -22.53232 25.14168 
1 1 1   22    4    0 o  903.493   63.779 345303.81 46487.85   0.0000   0.0000 345303.81 46487.85  ?   ?   903.493   63.779 0.000000 63.77858 
1 1 1   22    4    1 o  1082.94   52.505 487265.00 46168.12 499704.81 65308.55 474838.00 65274.63  1081.81   74.810  1052.99   76.877 28.81714 107.2683 
1 1 1   22    4    2 f  1054.40   51.010 460444.00 43672.05 462345.59 61780.48 458544.81 61742.73  1043.38   73.391  1038.89   73.672 4.492310 103.9895 
1 1 1   22    4    3 o  536.244   18.310 117015.00  7972.52 117976.10 11281.75 116056.10 11267.96  537.825   25.834  533.413   26.016 4.411743 36.66405 
1 1 1   22    4    4 o  400.024   13.633 65040.86  4428.11 65611.33  6276.00 64475.34  6248.67  401.542   19.249  398.047   19.334 3.495392 27.28236 
1 1 1   22    4    6 o  935.171   31.366 356956.31 23817.14 364788.09 33703.61 349144.19 33661.47  942.937   44.021  922.291   44.950 20.64618 62.91489 
1 1 1   22    4    7 o  889.874   34.705 323779.81 25075.87 345190.50 43423.26 313067.50 30714.88  910.959   59.024  873.307   43.315 37.65216 73.21238 
1 1 1   22    4    8 o  524.875   17.897 112115.70  7627.22 113231.70 10807.85 111008.50 10765.32  526.851   25.265  521.638   25.417 5.212952 35.83730 
1 1 1   22    4    9 o  604.592   20.234 149079.59  9932.89 156318.09 14069.19 141886.09 14025.38  617.799   28.047  588.343   29.359 29.45538 40.60287 
1 1 1   22    4   10 o  289.349   10.483 34048.34  2462.81 35372.30  3505.07 32757.30  3461.22  294.680   14.649  283.150   15.109 11.53040 21.04489 
1 1 1   22    4   11 o  299.323   12.285 36475.23  2985.72 34657.73  3665.76 40057.16  5146.18  291.115   15.565  312.261   20.409 -21.14584 25.66687 
1 1 1   22    4   12 o  479.635   19.334 94127.63  7529.63 92030.62 13146.45 95151.38  9185.51  469.025   34.768  481.344   23.502 -12.31976 41.96616 
1 1 1   22    4   13 o   93.347   6.9949  3561.64  526.325  2253.41  761.691  4757.07  728.115   73.224   13.301  107.831   8.3819 -34.60760 15.72182 
1 1 1   22    4   14 o  251.937   9.8126 25838.91  2007.32 24999.76  2857.28 26656.68  2820.63  247.029   14.306  255.209   13.661 -8.180191 19.78136 
1 1 1   22    4   15 o  364.107   13.326 54141.72  3939.75 51860.86  5591.03 56391.24  5552.48  354.653   19.490  370.595   18.452 -15.94162 26.83949 
1 1 1   22    4   16 o  321.678   11.989 42262.50  3131.34 43619.35  4449.17 40930.72  4407.88  325.421   16.896  315.096   17.295 10.32474 24.17832 
1 1 1   22    4   17 f  253.589   11.900 26329.31  2450.30 26165.26  4445.82 26400.88  2936.57  249.317   22.194  253.060   14.351 -3.742905 26.42904 
1 1 1   22    4   18 o   81.751   15.125  2850.99  967.019  3267.37  1975.28  2719.74  1109.01   86.462   26.014   79.280   17.678 7.182144 31.45238 
1 1 1   22    4   19 o  129.025   9.8608  6873.40  1025.24  6507.02  1321.53  7427.25  1624.82  124.675   13.258  132.637   15.372 -7.961540 20.29943 
1 1 1   22    4   20 o   98.331   10.123  4024.62  796.657  4403.98  998.555  3360.34  1321.35  102.346   12.260   87.108   19.199 15.23790 22.77991 
1 1 1   22    4   21 o  111.619   9.7317  5183.62  873.174  5173.86  1165.19  5196.11  1318.72  110.392   13.265  109.911   15.182 0.4815063 20.16051 
1 1 1   22    4   22 o   88.850   11.066  3343.98  781.031  3024.51  1066.50  3713.49  1146.97   82.438   16.509   91.801   15.967 -9.363152 22.96702 
1 1 1   22    4   23 o   78.693   11.582  2668.21  717.930  3019.16  914.877  2105.70  1158.25   82.725   14.128   67.002   19.866 15.72287 24.37754 
1 1 1   22    4   24 o   38.702   15.047  493.641  678.738  549.185  717.992   26.938  2081.24   40.093   15.507   51.750   23.351 -11.65704 28.03134 
1 1 1   22    4   25 o   66.298   18.913  2258.36  1068.10  2258.36  1068.10   0.0000   0.0000   66.298   18.913  ?   ?  0.000000 18.91330 
1 1 1   22    6    0 o  409.501   29.469 68888.68  9732.82   0.0000   0.0000 68888.68  9732.82  ?   ?   409.501   29.469 0.000000 29.46850 
1 1 1   22    6    1 o  268.380   14.452 29372.44  3137.80 32209.61  4457.73 26586.13  4417.59  280.578   19.692  254.555   21.576 26.02242 29.21102 
1 1 1   22    6    2 o  969.495   46.752 387343.19 36803.45 391590.91 52065.54 383101.31 52030.34  965.263   66.842  954.332   67.583 10.93140 95.05397 
1 1 1   22    6    3 o  613.729   21.245 153358.59 10587.10 152346.41 14972.67 154370.70 14972.16  610.809   30.189  614.878   29.989 -4.068237 42.55261 
1 1 1   22    6    4 o  551.777   17.861 123835.30  8001.99 120370.90 11324.16 127290.40 11308.91  543.466   25.662  558.929   24.919 -15.46350 35.77003 
1 1 1   22    6    5 o  647.409   20.935 170573.91 11005.03 183004.91 15578.83 158191.70 15548.13  669.882   28.642  622.601   30.756 47.28156 42.02711 
1 1 1   22    6    6 o  1119.09   43.594 513900.19 39612.39 520346.19 68575.83 510672.31 48527.41  1111.55   76.445  1112.52   53.721 -0.9630127 93.43350 
1 1 1   22    6    7 f  471.700   16.727 90497.39  6406.56 99455.20  9081.36 81622.39  9039.29  494.119   22.635  446.777   25.018 47.34241 33.73795 
1 1 1   22    6    8 o  483.546   15.569 95132.56  6112.60 97740.19  8665.82 92550.44  8623.39  489.618   21.798  476.395   22.293 13.22256 31.17906 
1 1 1   22    6    9 o  469.783   15.412 89874.41  5878.88 90579.46  8336.06 89176.79  8292.10  470.899   21.802  467.232   21.857 3.667572 30.87165 
1 1 1   22    6   10 o  357.408   14.458 52044.88  4195.91 48857.62  5153.18 58314.87  7227.69  345.425   18.440  376.466   23.767 -31.04059 30.08134 
1 1 1   22    6   11 o  315.330   11.176 40465.23  2861.59 40156.13  4070.74 40767.20  4023.46  313.318   16.055  316.137   15.674 -2.819092 22.43757 
1 1 1   22    6   12 o  263.827   10.199 28322.57  2184.84 27999.86  3115.30 28634.94  3064.98  261.588   14.727  264.604   14.319 -3.015839 20.54062 
1 1 1   22    6   13 o  626.860   21.510 161399.59 10948.53 159208.41 15511.78 163574.91 15455.50  618.808   30.872  627.492   30.334 -8.683533 43.28133 
1 1 1   22    6   14 f  323.677   13.826 42773.91  3633.75 43610.30  6455.02 42385.91  4396.54  323.941   24.728  321.325   16.911 2.615997 29.95724 
1 1 1   22    6   15 o  475.080   19.334 92827.73  7457.95 94507.59 13095.95 92021.44  9072.91  471.707   34.430  470.883   23.807 0.8233643 41.85933 
1 1 1   22    6   16 o  214.430   13.355 18887.75  2313.64 17813.05  3457.07 19759.60  3113.76  206.453   20.911  218.392   17.712 -11.93916 27.40436 
1 1 1   22    6   17 f  323.223   14.111 42969.34  3703.27 40704.81  4566.93 47317.38  6328.23  312.819   18.057  334.675   23.435 -21.85587 29.58482 
1 1 1   22    6   18 o  217.025   10.651 19325.98  1876.97 19173.84  2345.16 19597.14  3130.77  215.082   13.497  215.743   18.038 -0.6612091 22.52830 
1 1 1   22    6   19 o  251.682   10.356 26052.89  2116.29 27383.02  3035.13 24794.31  2952.37  255.988   14.663  243.381   15.013 12.60687 20.98582 
1 1 1   22    6   20 o  182.032   9.3294 13666.76  1374.28 13999.56  1979.30 13356.97  1909.63  182.725   13.435  178.531   13.268 4.193848 18.88224 
1 1 1   22    6   21 o  169.972   9.6080 11974.43  1320.58 12789.81  1870.64 11164.36  1864.53  174.062   13.337  162.091   14.314 11.97121 19.56446 
1 1 1   22    6   22 o   24.780   11.217 -245.9718  484.684 -65.7717  546.999 -904.4368  1045.62   28.716   12.509   33.151   15.521 -4.435400 19.93402 
1 1 1   22    6   23 o   64.208   14.769  1857.36  753.939  1805.60  939.833  1950.80  1262.78   62.493   17.711   64.522   21.011 -2.028484 27.48000 
1 1 1   22    6   24 o   30.299   13.107   12.878  592.183   31.292  689.720 -38.7663  1155.09   32.667   14.138   40.214   17.821 -7.547531 22.74821 
1 1 1   22    8    0 o  338.258   17.496 46672.28  4788.82   0.0000   0.0000 46672.28  4788.82  ?   ?   338.258   17.496 0.000000 17.49565 
1 1 1   22    8    1 o  1019.28   40.054 426198.59 33149.26 429216.59 57422.26 424690.09 40597.23  1009.78   70.477  1014.78   49.270 -5.005920 85.99198 
1 1 1   22    8    2 o  507.543   20.046 104841.70  8261.07 100001.50 14409.03 107211.70 10082.74  493.004   36.250  512.956   24.208 -19.95255 43.58970 
1 1 1   22    8    3 f  680.434   25.783 188694.91 14244.92 221667.91 24773.84 172408.70 17411.04  734.049   41.738  648.757   33.163 85.29205 53.30886 
1 1 1   22    8    4 o  821.062   30.807 275137.50 20538.29 241803.70 35445.06 291986.31 25199.89  762.669   57.664  844.893   36.733 -82.22351 68.36967 
1 1 1   22    8    5 o  602.567   21.396 147788.50 10468.11 158671.09 14800.67 136895.70 14807.63  623.661   29.228  578.197   31.661 45.46381 43.08914 
1 1 1   22    8    6 o  992.708   32.699 402775.69 26356.54 423148.59 37277.93 382411.91 37269.63  1014.41   45.259  963.683   47.630 50.72308 65.70376 
1 1 1   22    8    7 o  846.607   28.448 292875.00 19555.51 316838.19 27667.39 268952.41 27643.97  878.127   38.804  807.081   42.331 71.04645 57.42530 
1 1 1   22    8    8 o  331.717   11.752 44743.00  3165.46 44766.66  4493.43 44719.69  4460.02  331.115   16.768  330.955   16.650 0.1597595 23.63033 
1 1 1   22    8    9 o  663.183   22.514 179950.30 12123.43 174729.70 17166.77 185144.50 17123.54  650.771   32.488  670.217   31.466 -19.44586 45.22795 
1 1 1   22    8   10 o  345.278   11.972 48526.87  3356.52 45690.32  4768.58 51312.27  4725.39  334.066   17.643  354.642   16.410 -20.57645 24.09459 
1 1 1   22    8   11 o  279.512   10.391 31788.20  2358.18 31680.34  3360.82 31892.80  3309.72  278.317   14.926  279.289   14.646 -0.9725342 20.91166 
1 1 1   22    8   12 o  458.786   18.822 86158.48  7011.62 81380.49 12315.41 88450.02  8528.86  440.324   34.728  464.000   22.638 -23.67584 41.45470 
1 1 1   22    8   13 o  391.923   16.178 62800.32  5148.28 64420.46  9107.72 62039.56  6241.03  393.015   28.740  388.363   19.858 4.651459 34.93304 
1 1 1   22    8   14 o  376.440   19.646 58380.97  5984.21 58188.74  8646.46 58557.70  8290.66  372.735   28.793  374.439   27.461 -1.703369 39.78809 
1 1 1   22    8   15 o  112.948   8.8843  5226.50  808.204  5560.62  1010.51  4633.33  1346.41  116.280   10.827  105.104   16.305 11.17522 19.57248 
1 1 1   22    8   16 o  127.805   8.9431  6690.24  922.203  6986.92  1148.80  6152.57  1546.51  130.341   10.957  121.298   16.100 9.043152 19.47448 
1 1 1   22    8   17 o  127.323   8.1890  6641.16  842.103  6399.68  1221.98  6859.55  1162.10  124.276   12.270  128.911   11.214 -4.634933 16.62264 
1 1 1   22    8   18 o  194.333   9.0452 15460.63  1427.25 15776.45  2045.68 15161.08  1992.26  195.039   12.992  191.207   12.908 3.831726 18.31395 
1 1 1   22    8   19 o  181.514   9.0464 13518.65  1333.29 14789.09  1927.15 12352.26  1846.54  188.503   12.665  171.970   13.328 16.53281 18.38566 
1 1 1   22    8   20 o   35.512   12.819  445.504  473.528  718.399  581.047 -94.1605  817.101   42.503   14.268   35.152   15.301 7.350506 20.92108 
1 1 1   22    8   21 o   56.603   12.474  1391.52  557.862  2299.93  662.454 -823.3991  1034.42   73.473   11.480   33.634   15.644 39.83870 19.40417 
1 1 1   22    8   22 o  117.969   9.7789  5829.80  928.245  6177.22  1200.58  5313.46  1463.63  120.328   12.469  109.263   17.055 11.06516 21.12672 
1 1 1   22    8   23 o   82.752   11.956  2971.66  780.029  2497.27  951.027  3946.76  1363.49   73.798   16.306   91.663   18.946 -17.86535 24.99659 
1 1 1   22    8   24 o   38.859   14.178  595.671  581.515  676.111  649.751  271.907  1303.54   41.024   14.984   44.478   19.343 -3.453499 24.46734 
1 1 1   22   10    0 o  370.910   18.987 56120.09  5699.03   0.0000   0.0000 56120.09  5699.03  ?   ?   370.910   18.987 0.000000 18.98681 
1 1 1   22   10    1 o  431.260   21.896 75911.84  7642.22   0.0000   0.0000 75911.84  7642.22  ?   ?   431.260   21.896 0.000000 21.89621 
1 1 1   22   10    2 o  625.286   43.713 161214.30 22054.00   0.0000   0.0000 161214.30 22054.00  ?   ?   625.286   43.713 0.000000 43.71311 
1 1 1   22   10    3 o  253.167   11.627 26040.71  2390.11 27356.86  4278.42 25443.62  2881.70  258.464   20.556  249.793   14.267 8.671631 25.02233 
1 1 1   22   10    4 o  717.907   26.854 210124.50 15653.78 247785.50 27243.70 191562.80 19126.23  775.789   43.424  683.666   34.567 92.12286 55.50247 
1 1 1   22   10    5 f  673.103   26.653 184787.70 14566.70 190463.00 25361.17 181993.59 17794.73  678.712   46.296  667.200   32.847 11.51270 56.76505 
1 1 1   22   10    6 o  845.045   27.217 291641.00 18674.73 308055.59 26408.56 275222.81 26411.54  866.186   37.549  818.171   39.757 48.01489 54.68556 
1 1 1   22   10    7 o  152.152   6.9028  9403.45  852.782 12279.73  1207.49  6541.16  1204.55  173.847   8.5542  126.278   11.888 47.56843 14.64558 
1 1 1   22   10    8 o  293.634   12.089 35079.04  2882.24 34714.20  3521.44 35819.48  5016.70  291.562   14.925  295.344   21.057 -3.781555 25.81023 
1 1 1   22   10    9 o  582.426   22.973 139010.30 10864.18 148462.50 18983.68 134406.80 13248.18  595.318   39.497  571.254   28.562 24.06445 48.74234 
1 1 1   22   10   10 o  457.019   18.305 85355.82  6792.65 92319.13 11943.03 82026.28  8258.46  471.327   31.387  446.635   22.849 24.69196 38.82254 
1 1 1   22   10   11 o  299.202   12.937 36478.92  3143.00 37518.11  5640.17 36010.88  3785.19  301.338   23.231  296.598   15.774 4.740448 28.08006 
1 1 1   22   10   12 o   36.859   13.077  476.958  490.727  742.204  969.815  385.673  568.937   48.891   18.226   36.634   13.894 12.25658 22.91788 
1 1 1   22   10   13 o  293.180   11.726 35036.20  2791.32 34674.32  3436.15 35738.38  4786.36  291.351   14.525  294.293   20.152 -2.941376 24.84079 
1 1 1   22   10   14 o  318.802   11.747 41455.88  3040.73 39029.23  4322.11 43834.03  4278.69  308.008   17.353  327.147   16.108 -19.13907 23.67640 
1 1 1   22   10   15 o  251.850   10.037 25860.48  2052.59 25777.90  2925.33 25940.56  2880.77  250.474   14.445  251.321   14.175 -0.8469849 20.23823 
1 1 1   22   10   16 o  468.724   16.699 90667.12  6355.56 88641.85  9021.04 92663.09  8955.56  458.743   24.305  470.156   23.459 -11.41327 33.77983 
1 1 1   22   10   17 o  158.486   8.0269 10279.48  1029.57 10256.44  1470.35 10301.65  1442.13  157.635   11.568  158.040   11.313 -0.4046783 16.18064 
1 1 1   22   10   18 o   96.016   8.1715  3797.60  631.006  4196.25  844.712  3294.28  949.145  100.517   10.505   88.179   13.701 12.33829 17.26493 
1 1 1   22   10   19 o  317.313   11.790 41681.18  3037.72 45011.41  4367.41 38560.21  4227.96  326.349   16.536  301.401   17.349 24.94766 23.96735 
1 1 1   22   10   20 o  136.745   8.8168  7726.09  973.731  8375.12  1328.92  6973.67  1430.85  141.494   11.671  128.197   13.972 13.29721 18.20562 
1 1 1   22   10   21 o   61.237   11.688  1616.68  559.979  1525.49  649.930  1879.43  1103.21   58.941   13.820   64.699   19.436 -5.758289 23.84826 
1 1 1   22   10   22 o   54.788   12.476  1320.17  542.598  1607.17  641.073  595.262  1018.84   60.280   13.440   45.659   18.225 14.62189 22.64457 
1 1 1   22   10   23 o   80.818   10.888  2817.17  696.327  3185.90  866.166  2143.46  1170.81   85.052   12.951   66.567   20.028 18.48503 23.85061 
1 1 1   22   10   24 o   60.381   13.047  1667.53  621.003  1548.76  733.634  1967.74  1166.36   57.103   15.448   62.136   20.191 -5.032078 25.42291 
1 1 1   22   12    0 o  1241.43   60.153 639177.31 60634.73   0.0000   0.0000 639177.31 60634.73  ?   ?   1241.43   60.153 0.000000 60.15335 
1 1 1   22   12    1 f  816.486   32.228 272327.59 21365.90 279038.50 37035.31 268979.91 26157.72  819.606   55.986  810.149   39.765 9.457031 68.67056 
1 1 1   22   12    2 f  1120.88   54.225 519234.31 49351.08 515035.81 69825.76 523424.81 69760.23  1103.28   78.457  1112.69   77.701 -9.411987 110.4219 
1 1 1   22   12    3 o  992.630   44.356 405132.69 35750.27 345571.91 62094.54 434664.91 43724.09  897.644   86.256  1024.22   52.755 -126.5745 101.1104 
1 1 1   22   12    4 o  641.036   25.415 167619.80 13228.55 169166.50 23081.24 166863.30 16142.92  639.337   44.744  638.836   31.121 0.5010376 54.50295 
1 1 1   22   12    5 o  688.332   26.816 193605.20 14987.33 202600.50 26130.57 189195.41 18295.81  698.232   46.354  679.287   33.171 18.94556 57.00006 
1 1 1   22   12    6 o  635.136   25.049 164974.09 12918.15 172599.91 22543.21 161245.70 15762.92  643.618   43.390  626.711   30.976 16.90704 53.31266 
1 1 1   22   12    7 o  172.262   9.5008 12100.05  1323.75 21267.34  2043.01  5466.40  1737.91  228.671   11.003  114.149   19.448 114.5211 22.34472 
1 1 1   22   12    8 o  353.653   18.380 51216.98  5259.69 52877.68  7534.11 49638.12  7346.11  357.814   26.112  346.580   26.301 11.23447 37.06177 
1 1 1   22   12    9 o  521.553   19.298 111237.10  8172.25 106294.90 10002.85 121157.70 14171.96  508.782   24.213  539.841   32.483 -31.05896 40.51433 
1 1 1   22   12   10 o  272.688   10.261 30257.31  2271.98 28345.22  2778.38 34116.53  3947.18  263.752   12.974  288.506   16.924 -24.75394 21.32436 
1 1 1   22   12   11 o  353.163   13.685 50867.34  3924.22 50196.64  4806.33 52208.48  6796.51  350.409   16.893  355.423   23.686 -5.013092 29.09302 
1 1 1   22   12   12 o  229.942   10.901 21536.79  2035.24 22952.48  3788.89 20962.64  2412.91  235.644   19.991  226.304   13.189 9.340271 23.94946 
1 1 1   22   12   13 o  316.756   11.111 40895.79  2857.75 40050.76  4062.87 41723.25  4020.40  312.390   16.072  319.347   15.505 -6.957184 22.33184 
1 1 1   22   12   14 o  146.692   7.1247  8753.06  848.616  8242.03  1173.23  9313.78  1228.95  141.833   10.257  150.837   10.093 -9.003891 14.38959 
1 1 1   22   12   15 o  169.339   8.1932 11680.95  1126.55 12044.64  1590.17 11314.48  1596.22  171.300   11.499  165.933   11.927 5.367050 16.56764 
1 1 1   22   12   16 o  182.218   8.2317 13546.06  1217.93 13274.68  1731.61 13811.74  1713.35  179.517   11.948  183.207   11.577 -3.690170 16.63697 
1 1 1   22   12   17 o  285.394   11.620 33509.68  2692.80 38326.56  3849.73 28895.16  3767.99  303.199   15.691  262.147   17.808 41.05219 23.73451 
1 1 1   22   12   18 o  127.741   8.2879  6709.05  854.986  7787.08  1177.34  5506.16  1243.65  137.126   10.658  114.375   13.662 22.75113 17.32734 
1 1 1   22   12   19 o   47.492   11.504  971.073  438.939  953.372  495.141  1036.04  948.564   47.072   12.673   51.758   18.201 -4.686405 22.17831 
1 1 1   22   12   20 o   62.152   10.633  1644.58  517.306  1148.33  608.856  2932.63  980.915   51.372   14.147   81.986   15.298 -30.61359 20.83662 
1 1 1   22   12   21 o  132.883   9.0871  7346.46  974.583  8038.81  1287.35  6416.94  1491.64  138.010   11.596  121.387   15.487 16.62315 19.34681 
1 1 1   22   12   22 o   73.251   10.680  2300.10  616.556  2710.58  722.962  1205.33  1180.68   79.292   11.570   54.462   20.148 24.83013 23.23336 
1 1 1   22   12   23 o   67.350   12.399  2016.48  653.051  1468.86  778.093  3321.57  1201.18   56.095   16.186   83.306   18.262 -27.21065 24.40240 
1 1 1   22   12   24 o   52.641   12.866  1282.59  545.266  1274.73  607.766  1314.99  1234.48   52.018   14.056   52.942   20.374 -0.9238510 24.75201 
1 1 1   22   14    0 o  778.259   37.826 248533.91 23902.98   0.0000   0.0000 248533.91 23902.98  ?   ?   778.259   37.826 0.000000 37.82591 
1 1 1   22   14    1 o  607.799   24.327 150664.00 12005.44 160983.20 20840.99 145539.09 14687.09  624.278   41.349  595.842   30.459 28.43634 51.35694 
1 1 1   22   14    2 o  782.931   31.331 250902.59 19917.83 282080.91 34490.92 235302.91 24397.02  822.818   51.891  755.276   39.924 67.54218 65.47246 
1 1 1   22   14    3 o  656.552   32.011 176716.20 17064.81 183955.30 24193.91 169549.20 24073.13  665.278   45.054  637.995   46.797 27.28235 64.96004 
1 1 1   22   14    4 o  626.064   22.200 160019.50 11285.03 200526.00 19761.20 140416.59 13747.12  697.990   34.868  585.327   28.925 112.6630 45.30375 
1 1 1   22   14    5 o  316.500   24.714 41250.90  6300.92 41250.90  6300.92   0.0000   0.0000  316.500   24.714  ?   ?  0.000000 24.71439 
1 1 1   22   14    6 o  300.059   23.834 37117.91  5759.05 37117.91  5759.05   0.0000   0.0000  300.059   23.834  ?   ?  0.000000 23.83405 
1 1 1   22   14    7 o  326.070   17.320 43523.47  4569.20 46249.89  6577.09 40980.13  6352.42  334.841   24.358  314.937   25.048 19.90381 34.93911 
1 1 1   22   14    8 f  271.549   15.511 30176.60  3405.89 26818.81  4930.48 33241.28  4710.36  254.443   24.155  284.231   20.549 -29.78821 31.71252 
1 1 1   22   14    9 o  469.649   18.325 90203.91  6987.86 102140.50 12344.10 84574.89  8476.88  495.575   30.830  453.219   23.112 42.35590 38.53087 
1 1 1   22   14   10 o  364.925   16.271 54412.68  4821.23 43738.77  8615.25 59279.59  5817.45  322.305   33.405  380.483   18.830 -58.17810 38.34708 
1 1 1   22   14   11 o  395.038   16.689 63839.86  5353.19 62644.00  9557.51 64386.52  6461.89  386.726   30.689  395.534   20.188 -8.807922 36.73381 
1 1 1   22   14   12 o  323.038   11.095 42528.94  2910.25 38870.00  4120.78 46169.96  4110.67  307.672   16.556  336.039   15.066 -28.36621 22.38458 
1 1 1   22   14   13 o  454.596   16.639 84741.55  6141.72 82434.32  8711.41 87021.75  8660.23  445.296   24.184  457.904   23.370 -12.60757 33.63112 
1 1 1   22   14   14 o  244.253   9.2794 24315.39  1840.33 24278.43  2613.83 24351.73  2591.56  243.217   13.286  243.611   13.150 -0.3942871 18.69357 
1 1 1   22   14   15 o  186.902   8.5126 14246.85  1291.86 13947.66  1852.25 14530.25  1802.68  184.039   12.469  187.983   11.871 -3.944016 17.21617 
1 1 1   22   14   16 o  307.242   10.452 38694.48  2607.52 39489.31  3745.08 37946.65  3632.68  308.846   14.934  302.815   14.774 6.030304 21.00744 
1 1 1   22   14   17 o  115.760   7.4944  5497.53  700.643  4633.90  943.492  6559.33  1046.16  105.522   11.182  125.940   10.321 -20.41847 15.21730 
1 1 1   22   14   18 o  232.751   9.3044 22262.36  1758.40 22121.47  2499.44 22400.43  2474.26  230.149   13.433  231.708   13.206 -1.559189 18.83751 
1 1 1   22   14   19 o   94.599   8.7854  3712.16  667.108  3734.13  814.823  3667.49  1161.81   94.367   10.830   91.796   16.178 2.570709 19.46896 
1 1 1   22   14   20 o  211.192   9.9549 18498.03  1707.07 18858.11  2431.63 18148.12  2397.08  210.461   14.314  206.393   14.394 4.068497 20.29993 
1 1 1   22   14   21 o  107.604   8.9864  4837.25  777.964  5407.29  984.329  3888.59  1269.82  113.102   10.852   92.806   17.493 20.29619 20.58528 
1 1 1   22   14   22 o   95.127   9.7727  3839.09  744.115  3707.56  877.060  4176.98  1405.78   92.502   11.957   94.101   19.052 -1.598259 22.49354 
1 1 1   22   14   23 o  129.921   9.8140  7222.67  1027.65  6716.44  1345.41  7931.63  1592.19  122.297   13.790  131.722   15.163 -9.425255 20.49593 
1 1 1   22   16    0 o  346.632   18.576 49126.43  5209.29   0.0000   0.0000 49126.43  5209.29  ?   ?   346.632   18.576 0.000000 18.57607 
1 1 1   22   16    1 o  344.441   18.837 48526.04  5248.21 41528.64  7479.98 55310.93  7365.52  316.772   29.417  366.839   24.875 -50.06625 38.52460 
1 1 1   22   16    2 o  386.681   29.221 61748.88  9106.96 61748.88  9106.96   0.0000   0.0000  386.681   29.221  ?   ?  0.000000 29.22136 
1 1 1   22   16    3 o  558.486   40.524 130390.70 18251.34 130390.70 18251.34   0.0000   0.0000  558.486   40.524  ?   ?  0.000000 40.52386 
1 1 1   22   16    4 o  258.030   15.126 27226.29  3155.29 24403.05  4539.01 29866.33  4389.27  242.980   23.292  269.565   20.200 -26.58421 30.83135 
1 1 1   22   16    5 o  722.781   35.462 216992.41 20811.85 228755.80 29525.92 205376.80 29339.75  732.573   49.936  692.176   52.597 40.39703 72.52621 
1 1 1   22   16    6 o  650.673   32.103 175333.80 16961.04 182253.70 24096.34 168538.59 23878.22  655.505   45.556  629.342   47.069 26.16254 65.50413 
1 1 1   22   16    7 o  172.907   9.5162 12197.21  1330.88 10714.54  2606.68 12719.98  1547.83  160.492   20.469  176.458   10.856 -15.96680 23.16962 
1 1 1   22   16    8 o  392.012   18.383 62865.93  5851.28 44530.33 10425.40 71297.81  7069.80  322.955   40.658  416.487   20.973 -93.53217 45.74875 
1 1 1   22   16    9 o  115.335   8.1470  5436.24  758.044  7672.21  1601.44  4790.57  860.560  136.324   14.700  108.043   9.9203 28.28109 17.73442 
1 1 1   22   16   10 o  117.580   8.8279  5656.44  836.659  6403.55  1791.42  5448.01  946.193  123.700   18.396  115.225   10.219 8.474693 21.04367 
1 1 1   22   16   11 o  257.283   11.975 26994.61  2501.67 27251.28  4697.83 26893.01  2955.59  256.033   22.837  256.168   14.266 -0.1354980 26.92713 
1 1 1   22   16   12 o   83.455   10.632  2884.36  704.104  4289.61  1511.60  2494.98  795.696  100.506   19.223   77.092   13.185 23.41396 23.31085 
1 1 1   22   16   13 o  296.382   13.499 35945.91  3248.48 36727.45  6025.25 35625.64  3857.08  295.669   25.342  294.115   16.214 1.553619 30.08531 
1 1 1   22   16   14 o  256.278   12.098 26892.89  2517.41 36140.90  5095.46 23906.71  2895.46  293.684   21.518  240.663   14.890 53.02052 26.16760 
1 1 1   22   16   15 o  193.684   10.610 15414.80  1662.27 24825.57  3614.85 12891.18  1871.93  243.286   18.436  176.480   13.158 66.80670 22.65013 
1 1 1   22   16   16 o  245.038   9.4121 24607.04  1872.66 26472.14  2702.51 22884.33  2597.30  252.683   13.218  234.709   13.688 17.97339 19.02837 
1 1 1   22   16   17 o  108.839   8.2470  4879.26  723.396  6419.38  971.320  2961.07  1084.00  124.619   9.6752   82.526   16.749 42.09279 19.34303 
1 1 1   22   16   18 o   57.343   8.7098  1380.76  392.784  1632.61  452.362  609.108  791.830   62.346   9.2134   43.469   16.415 18.87725 18.82351 
1 1 1   22   16   19 o  176.276   9.5282 12877.64  1358.71 13660.38  1872.34 12006.93  1974.76  180.073   12.891  167.890   14.632 12.18353 19.50075 
1 1 1   22   16   20 f   66.273   8.5346  1843.57  448.588  2361.02  498.615 -353.8225  1027.51   75.183   8.3066   36.726   16.505 38.45671 18.47746 
1 1 1   22   16   21 o   27.619   11.289  136.248  401.596  332.344  438.875 -873.1691  995.727   32.183   12.204   32.031   15.044 0.1525879 19.37164 
1 1 1   22   16   22 o   22.364   9.8361 -68.1329  345.538 -50.7059  360.659 -262.9808  1205.96   23.135   10.115   39.439   17.788 -16.30401 20.46256 
1 1 1   22   16   23 o   54.392   10.981  1325.16  468.239  1744.00  512.341 -798.3383  1153.60   62.872   10.400   34.200   16.104 28.67141 19.16984 
1 1 1   22   18    0 o  118.751   18.377  5894.01  1714.75   0.0000   0.0000  5894.01  1714.75  ?   ?   118.751   18.377 0.000000 18.37740 
1 1 1   22   18    1 o  235.276   20.780 22827.17  3928.94   0.0000   0.0000 22827.17  3928.94  ?   ?   235.276   20.780 0.000000 20.78001 
1 1 1   22   18    2 o  488.843   20.474 97796.28  8126.57 93323.27 14101.81 100020.30  9943.75  471.921   37.101  492.816   24.931 -20.89584 44.69931 
1 1 1   22   18    3 o  379.411   16.765 58764.87  5164.84 59413.72  8938.19 58439.62  6328.29  378.292   29.329  377.257   20.739 1.035522 35.92022 
1 1 1   22   18    4 o  631.012   31.463 164899.70 16120.59 167406.80 22918.58 162444.80 22679.22  627.800   45.264  618.242   45.498 9.558716 64.17860 
1 1 1   22   18    5 o  159.990   12.393 10487.75  1597.36 11058.27  2374.22 10015.93  2159.10  163.477   18.195  155.622   17.384 7.855881 25.16483 
1 1 1   22   18    6 o  126.045   8.2785  6487.65  842.540  7715.96  1798.52  6142.29  953.658  136.455   16.573  122.494   9.6668 13.96152 19.18596 
1 1 1   22   18    7 o  405.734   17.678 67338.76  5823.85 61383.59 10459.67 70014.47  7011.18  382.123   34.069  412.564   20.999 -30.44165 40.02046 
1 1 1   22   18    8 o  407.170   18.095 67888.30  5982.52 60901.75 10764.79 71010.44  7196.15  379.639   35.327  415.185   21.419 -35.54572 41.31337 
1 1 1   22   18    9 o  187.265   10.617 14329.14  1607.67 10623.71  3183.18 15597.96  1862.69  158.360   25.632  195.263   11.804 -36.90315 28.21911 
1 1 1   22   18   10 o  284.737   13.703 33115.13  3168.16 26531.71  5922.35 35754.41  3749.82  250.496   29.696  295.181   15.702 -44.68503 33.59142 
1 1 1   22   18   11 o  288.944   12.340 34083.75  2895.02 42570.53  5482.04 30801.62  3409.17  320.531   21.183  273.837   15.395 46.69473 26.18650 
1 1 1   22   18   12 o  382.868   16.135 60193.69  5016.11 63839.74  9166.61 58635.23  5993.02  388.307   29.289  376.355   19.680 11.95142 35.28653 
1 1 1   22   18   13 o  259.828   12.174 27642.55  2568.45 35036.15  5092.93 25120.70  2974.40  289.052   21.861  246.736   14.917 42.31581 26.46561 
1 1 1   22   18   14 o  330.434   14.431 45058.88  3871.74 56576.34  7505.35 40882.50  4519.52  363.227   25.612  312.933   17.861 50.29398 31.22500 
1 1 1   22   18   15 o  317.112   14.210 41674.02  3658.87 51595.59  7121.01 38115.13  4264.90  344.259   25.660  301.225   17.513 43.03326 31.06629 
1 1 1   22   18   16 o  371.430   15.976 57813.23  4818.17 73430.55  9193.96 51900.18  5657.24  404.848   28.144  348.294   20.089 56.55325 34.57816 
1 1 1   22   18   17 o  115.240   11.897  5562.86  1097.22  5323.63  3147.52  5595.95  1170.66  104.827   33.078  115.339   12.711 -10.51142 35.43630 
1 1 1   22   18   18 o   57.973   17.551  1462.94  897.055 -1760.0200  3582.49  1678.54  926.573   62.905   29.210   61.675   17.623 1.230556 34.11480 
1 1 1   22   18   19 o   32.794   14.975 -494.8387  887.559  2581.23  3090.38 -771.3750  926.596   79.393   31.723   31.595   14.732 47.79803 34.97708 
1 1 1   22   18   20 f   54.789   19.288  1266.62  1065.60 -1544.3970  3662.37  1526.60  1113.79   61.344   28.824   58.716   19.754 2.627583 34.94384 
1 1 1   22   18   21 o   51.899   19.122  1121.94  1061.49   0.0000   0.0000  1121.94  1061.49  ?   ?    51.899   19.122 0.000000 19.12162 
1 1 1   22   18   22 o   58.145   20.004  1661.91  1142.82   0.0000   0.0000  1661.91  1142.82  ?   ?    58.145   20.004 0.000000 20.00375 
1 1 1   22   20    0 o  388.044   20.904 61898.89  6562.01   0.0000   0.0000 61898.89  6562.01  ?   ?   388.044   20.904 0.000000 20.90367 
1 1 1   22   20    1 o  464.370   24.260 88923.27  9115.70   0.0000   0.0000 88923.27  9115.70  ?   ?   464.370   24.260 0.000000 24.26035 
1 1 1   22   20    2 o  598.212   24.862 147304.20 12076.30 144585.00 20990.10 148649.59 14764.67  582.323   44.735  598.144   30.502 -15.82074 54.14378 
1 1 1   22   20    3 o  250.891   12.634 25713.49  2565.56 24075.85  4484.25 26510.38  3128.10  240.958   23.207  254.411   15.213 -13.45313 27.74838 
1 1 1   22   20    4 o  396.989   19.138 64543.00  6169.13 98295.89 10678.22 47633.21  7558.10  487.081   27.107  338.359   27.755 148.7224 38.79591 
1 1 1   22   20    5 o  480.380   24.884 95385.12  9672.72 97344.96 13843.25 93515.44 13521.03  480.833   35.712  471.289   35.596 9.544189 50.42255 
1 1 1   22   20    6 o  373.658   13.719 56968.36  4162.41 67671.09  7653.21 52472.61  4960.18  404.678   23.391  358.123   17.058 46.55551 28.95030 
1 1 1   22   20    7 o  235.324   11.208 22563.46  2141.50 24046.98  4216.02 22047.60  2486.09  240.792   21.800  232.081   13.248 8.710999 25.50974 
1 1 1   22   20    8 o  289.520   12.540 34197.35  2947.89 38604.64  5602.48 32509.97  3466.58  305.094   22.780  281.560   15.220 23.53482 27.39643 
1 1 1   22   20    9 o  160.943   8.9033 10576.65  1158.97 16805.05  2620.07  9061.49  1292.27  201.929   16.114  148.717   10.775 53.21265 19.38457 
1 1 1   22   20   10 f  163.134   9.6277 10880.58  1269.63 13711.27  2733.23 10101.72  1433.70  181.600   18.809  156.948   11.326 24.65155 21.95594 
1 1 1   22   20   11 o  233.105   11.612 22198.96  2197.81 22730.76  4443.91 22026.76  2528.73  232.424   23.887  231.560   13.508 0.8645477 27.44218 
1 1 1   22   20   12 o  227.793   12.311 21319.75  2268.59 19591.29  4839.15 21806.62  2568.31  212.793   28.743  230.036   13.814 -17.24258 31.89028 
1 1 1   22   20   13 o  131.239   10.579  7100.13  1117.74 14483.65  3273.61  6125.75  1189.21  184.016   22.370  121.516   12.218 62.49974 25.48907 
1 1 1   22   20   14 o  375.858   15.986 58862.52  4878.80 73909.80  9264.46 53088.21  5739.06  409.703   28.017  353.859   20.057 55.84387 34.45647 
1 1 1   22   20   15 o  289.394   14.064 34839.77  3304.66 38602.85  6866.48 33705.39  3769.99  292.062   29.352  282.947   16.481 9.114227 33.66259 
1 1 1   22   20   16 o  146.933   12.060  9012.10  1426.18 13044.50  4104.08  8458.28  1520.96  165.439   31.706  141.875   13.360 23.56433 34.40600 
1 1 1   22   20   17 o   97.185   13.393  4024.59  1028.76  7951.04  3965.53  3741.27  1065.23  123.062   36.821   93.256   14.542 29.80678 39.58903 
1 1 1   22   20   18 f   33.335   14.709 -167.1772  778.703  2278.04  4014.23 -262.7901  793.782   82.228   34.807   32.749   14.627 49.47926 37.75584 
1 1 1   22   20   19 f   29.474   13.811 -745.2463  830.700 -1122.1130  4462.21 -731.7164  845.480   68.731   32.142   29.908   13.988 38.82339 35.05382 
1 1 1   22   20   20 o  122.739   16.301  6773.60  1584.42   0.0000   0.0000  6773.60  1584.42  ?   ?   122.739   16.301 0.000000 16.30141 
1 1 1   22   20   21 o  186.073   16.266 15892.13  2432.88   0.0000   0.0000 15892.13  2432.88  ?   ?   186.073   16.266 0.000000 16.26619 
1 1 1   22   20   22 o   70.733   26.946  3201.28  2145.77   0.0000   0.0000  3201.28  2145.77  ?   ?    70.733   26.946 0.000000 26.94633 
1 1 1   22   22    0 o  512.411   26.732 108907.80 11083.64   0.0000   0.0000 108907.80 11083.64  ?   ?   512.411   26.732 0.000000 26.73212 
1 1 1   22   22    1 o   83.822   15.505  2961.04  1016.39   0.0000   0.0000  2961.04  1016.39  ?   ?    83.822   15.505 0.000000 15.50454 
1 1 1   22   22    2 o  235.327   12.896 22651.04  2454.72 21344.99  4366.52 23254.51  2968.14  226.293   24.137  238.073   15.438 -11.77942 28.65148 
1 1 1   22   22    3 o  502.725   21.633 103940.50  8830.55 99464.61 15366.81 106147.30 10790.04  483.192   39.513  505.816   26.363 -22.62411 47.50063 
1 1 1   22   22    4 o  312.565   14.938 39918.93  3791.22 37652.70  6623.69 41023.11  4623.48  300.110   27.487  315.883   18.102 -15.77307 32.91239 
1 1 1   22   22    5 o  222.855   15.311 20399.84  2753.65 20440.27  4117.50 20367.13  3703.78  221.420   23.249  221.589   20.830 -0.1688080 31.21555 
1 1 1   22   22    6 o  323.250   10.591 42574.73  2779.75 42818.44  4169.75 42379.79  3729.32  323.449   15.877  322.039   14.262 1.410675 21.34205 
1 1 1   22   22    7 o  544.580   21.364 122301.10  9446.73 127667.20 16959.50 119887.20 11374.74  545.798   38.516  537.137   26.081 8.660706 46.51525 
1 1 1   22   22    8 o  447.939   21.558 82892.77  7840.82 66973.66 14211.88 89858.49  9401.04  388.932   45.886  464.366   25.026 -75.43350 52.26690 
1 1 1   22   22    9 o  170.319   10.499 11877.44  1444.86 11463.45  3309.24 11974.95  1606.03  163.911   25.710  170.854   11.646 -6.943161 28.22522 
1 1 1   22   22   10 o  262.872   12.850 28296.25  2742.68 29411.01  5542.52 27934.76  3156.19  263.280   26.278  260.370   14.993 2.910553 30.25405 
1 1 1   22   22   11 o  142.615   10.405  8360.80  1196.56  7700.91  3403.78  8453.85  1278.14  130.774   32.256  143.294   11.071 -12.51988 34.10337 
1 1 1   22   22   12 o  126.073   10.138  6551.12  1029.06 10317.54  2874.64  5997.52  1102.09  154.180   23.723  120.344   11.415 33.83624 26.32638 
1 1 1   22   22   13 o   77.491   11.437  2522.73  697.997  4208.92  2480.40  2377.72  727.392   96.541   29.175   74.975   12.381 21.56551 31.69284 
1 1 1   22   22   14 o   75.131   13.066  2404.60  768.158  4803.91  3180.26  2255.95  791.596  101.691   33.355   72.504   13.953 29.18663 36.15551 
1 1 1   22   22   15 o  139.958   11.937  8178.68  1343.53  4262.44  4267.22  8609.62  1415.53   98.510   37.887  143.513   12.265 -45.00370 39.82310 
1 1 1   22   22   16 o  308.059   14.644 40012.83  3662.89 54855.57  7998.51 36074.06  4120.33  341.802   29.097  289.686   17.601 52.11575 34.00620 
1 1 1   22   22   17 o  116.859   12.634  5794.95  1179.68  5405.75  4691.90  5821.22  1218.83  101.236   39.505  116.958   13.057 -15.72283 41.60727 
1 1 1   22   22   18 o   69.771   17.531  2215.54  991.961  1979.14  4026.38  2230.81  1023.51   78.553   34.078   69.892   17.944 8.661179 38.51342 
1 1 1   22   22   19 o   94.891   16.618  4081.18  1233.76   0.0000   0.0000  4081.18  1233.76  ?   ?    94.891   16.618 0.000000 16.61845 
1 1 1   22   22   20 o   43.352   18.599  285.006  1173.39   0.0000   0.0000  285.006  1173.39  ?   ?    43.352   18.599 0.000000 18.59860 
1 1 1   22   22   21 o   54.036   23.196  1065.80  1827.23   0.0000   0.0000  1065.80  1827.23  ?   ?    54.036   23.196 0.000000 23.19627 
1 1 1   22   24    0 o  223.379   15.745 20521.35  2837.49   0.0000   0.0000 20521.35  2837.49  ?   ?   223.379   15.745 0.000000 15.74499 
1 1 1   22   24    1 o  391.353   21.875 63343.77  6923.32   0.0000   0.0000 63343.77  6923.32  ?   ?   391.353   21.875 0.000000 21.87506 
1 1 1   22   24    2 o  355.928   20.707 52334.22  5958.49   0.0000   0.0000 52334.22  5958.49  ?   ?   355.928   20.707 0.000000 20.70696 
1 1 1   22   24    3 o  176.666   12.856 12808.77  1831.44 12565.01  3344.93 12913.14  2188.66  172.539   24.570  176.980   15.384 -4.440842 28.98868 
1 1 1   22   24    4 o  311.744   15.802 39903.11  3986.87 38970.32  7025.22 40346.25  4842.16  304.158   28.789  312.654   19.166 -8.496124 34.58507 
1 1 1   22   24    5 o  149.033   12.944  9140.50  1550.81  9239.36  2875.07  9099.93  1841.71  147.272   24.933  148.264   15.529 -0.9918060 29.37325 
1 1 1   22   24    6 o  201.272   15.276 16692.63  2477.90 21585.88  3850.58 13234.06  3237.25  227.653   21.070  177.291   23.032 50.36223 31.21575 
1 1 1   22   24    7 o  413.757   15.343 70229.94  5154.73 81151.90  9741.87 65982.92  6074.82  439.014   27.467  400.047   18.702 38.96753 33.22964 
1 1 1   22   24    8 o  373.463   15.156 57295.62  4595.95 61717.88  8783.11 55628.19  5393.26  381.002   28.600  367.075   18.095 13.92725 33.84340 
1 1 1   22   24    9 o   51.860   11.715  1144.65  481.659 -2624.0640  2672.62  1271.16  489.676   52.363   24.611   54.733   11.389 -2.370270 27.11812 
1 1 1   22   24   10 o  155.641   10.492  9963.82  1318.14 13235.48  3888.20  9538.99  1401.11  173.176   28.654  152.085   11.430 21.09113 30.84916 
1 1 1   22   24   11 o  305.403   15.245 38718.78  3780.29 38007.37  7839.16 38934.35  4315.19  288.838   34.082  304.727   17.514 -15.88824 38.31849 
1 1 1   22   24   12 o   63.150   13.912  1716.94  694.112  4894.10  3177.54  1557.74  711.290  103.146   33.309   60.037   14.707 43.10892 36.41138 
1 1 1   22   24   13 o  161.714   11.727 10866.19  1529.41  6241.62  4146.82 11594.28  1645.41  113.073   38.116  166.906   12.226 -53.83383 40.02889 
1 1 1   22   24   14 o  131.650   11.601  7236.74  1227.38 12501.92  4211.07  6747.93  1283.09  160.018   33.486  126.765   12.634 33.25309 35.78987 
1 1 1   22   24   15 o  221.473   12.870 20583.53  2304.39 26250.50  5976.50 19593.91  2497.51  231.540   32.700  215.203   14.376 16.33708 35.71996 
1 1 1   22   24   16 o  137.948   12.898  8069.48  1427.96  442.964  5089.37  8721.17  1487.72   79.933   36.251  143.444   12.912 -63.51132 38.48130 
1 1 1   22   24   17 f  105.744   14.488  4866.13  1211.25  8124.47  5519.15  4701.25  1241.52  110.916   42.968  103.562   15.218 7.354607 45.58323 
1 1 1   22   24   18 f   58.636   18.866  1569.46  1020.12   0.0000   0.0000  1569.46  1020.12  ?   ?    58.636   18.866 0.000000 18.86644 
1 1 1   22   24   19 o   82.028   17.784  3191.68  1150.33   0.0000   0.0000  3191.68  1150.33  ?   ?    82.028   17.784 0.000000 17.78386 
1 1 1   22   24   20 o   38.883   16.986  128.119  1015.07   0.0000   0.0000  128.119  1015.07  ?   ?    38.883   16.986 0.000000 16.98589 
1 1 1   22   26    0 o  125.662   24.307  6775.45  2390.42   0.0000   0.0000  6775.45  2390.42  ?   ?   125.662   24.307 0.000000 24.30681 
1 1 1   22   26    1 o  296.164   27.271 36982.98  6484.44   0.0000   0.0000 36982.98  6484.44  ?   ?   296.164   27.271 0.000000 27.27146 
1 1 1   22   26    2 o  198.809   23.078 16610.26  3656.09   0.0000   0.0000 16610.26  3656.09  ?   ?   198.809   23.078 0.000000 23.07796 
1 1 1   22   26    3 o  207.539   16.893 17817.95  2821.98 16920.04  4416.00 18437.71  3668.83  198.979   28.116  209.860   21.851 -10.88129 35.60870 
1 1 1   22   26    4 o  125.849   16.999  6629.29  1692.61  7196.37  2730.77  6275.51  2156.91  128.733   26.988  121.019   22.786 7.714546 35.32068 
1 1 1   22   26    5 o  195.644   16.187 15849.96  2548.33 19984.54  4103.68 13254.80  3251.17  217.637   23.600  176.902   23.193 40.73508 33.08916 
1 1 1   22   26    6 o  136.987   15.466  7817.16  1690.15  7975.62  3181.64  7754.87  1994.91  134.327   29.936  135.679   18.598 -1.351532 35.24245 
1 1 1   22   26    7 o  180.134   10.983 13329.07  1598.78 13247.85  4182.63 13342.97  1730.16  172.993   30.911  180.046   11.902 -7.052643 33.12367 
1 1 1   22   26    8 o  455.431   19.331 86743.02  7148.61 99674.88 13625.15 81831.16  8397.19  470.677   35.923  438.618   23.666 32.05951 43.01771 
1 1 1   22   26    9 o  333.740   16.360 46372.91  4433.36 48692.23  8964.27 45621.96  5100.83  327.336   34.234  329.005   19.177 -1.668976 39.23936 
1 1 1   22   26   10 o   88.124   10.086  3228.35  708.687  5661.77  3013.94  3085.93  729.130  110.324   31.862   86.011   10.669 24.31310 33.60138 
1 1 1   22   26   11 o  360.392   15.991 54439.09  4679.51 64597.23  9757.16 51404.61  5332.84  373.837   32.467  347.548   18.969 26.28873 37.60207 
1 1 1   22   26   12 o  228.047   12.592 21661.12  2322.57 24038.77  5755.14 21198.55  2538.46  225.521   32.356  224.940   13.967 0.5810699 35.24199 
1 1 1   22   26   13 o  247.814   13.694 25785.11  2744.78 22789.55  6608.21 26409.66  3017.38  208.681   40.460  250.031   14.931 -41.35016 43.12722 
1 1 1   22   26   14 o   21.864   10.650 -1067.6700  609.233  4121.58  4222.38 -1178.0000  615.676   94.636   37.312   21.407   10.487 73.22867 38.75808 
1 1 1   22   26   15 o  148.858   12.990  9406.39  1554.38  5148.89  5817.23  9733.74  1613.03   99.974   42.087  151.306   13.263 -51.33155 44.12766 
1 1 1   22   26   16 o   75.531   17.868  2607.93  1078.67 -936.2119  5402.62  2755.07  1100.83   74.344   34.958   77.685   17.830 -3.340889 39.24192 
1 1 1   22   26   17 o   83.928   18.575  3293.34  1232.31   0.0000   0.0000  3293.34  1232.31  ?   ?    83.928   18.575 0.000000 18.57462 
1 1 1   22   26   18 o   63.583   20.650  1982.78  1220.03   0.0000   0.0000  1982.78  1220.03  ?   ?    63.583   20.650 0.000000 20.64965 
1 1 1   22   26   19 o   48.874   19.744  913.295  1211.51   0.0000   0.0000  913.295  1211.51  ?   ?    48.874   19.744 0.000000 19.74405 
1 1 1   22   28    0 o  227.196   18.128 21496.08  3316.28   0.0000   0.0000 21496.08  3316.28  ?   ?   227.196   18.128 0.000000 18.12770 
1 1 1   22   28    1 o  282.944   19.541 33404.12  4461.75   0.0000   0.0000 33404.12  4461.75  ?   ?   282.944   19.541 0.000000 19.54051 
1 1 1   22   28    2 o   45.589   19.226  118.563  1217.29   0.0000   0.0000  118.563  1217.29  ?   ?    45.589   19.226 0.000000 19.22561 
1 1 1   22   28    3 o  154.237   18.020  9994.40  2214.26   0.0000   0.0000  9994.40  2214.26  ?   ?   154.237   18.020 0.000000 18.02048 
1 1 1   22   28    4 o  326.625   17.737 44440.13  4686.42 48609.29  8562.50 42657.11  5599.58  332.380   32.128  317.926   21.824 14.45374 38.83882 
1 1 1   22   28    5 o  217.682   16.439 19767.76  2884.12 21719.16  5554.59 19047.46  3374.70  220.549   31.948  212.383   19.798 8.165649 37.58480 
1 1 1   22   28    6 o  115.690   18.278  5723.32  1659.95  7020.69  3778.30  5413.01  1847.84  122.620   35.750  111.541   21.177 11.07882 41.55199 
1 1 1   22   28    7 o   40.982   17.115  170.436  950.196 -593.3792  2728.55  275.849  1013.65   61.381   27.287   43.295   17.844 18.08675 32.60313 
1 1 1   22   28    8 o   95.958   9.5560  3813.75  734.655  5007.57  4092.11  3773.99  746.788  105.546   37.729   95.409   9.7780 10.13769 38.97592 
1 1 1   22   28    9 o  161.445   11.225 10801.99  1462.33  9897.64  5045.67 10884.92  1527.91  138.756   41.538  161.926   11.700 -23.16982 43.15469 
1 1 1   22   28   10 o  184.409   10.962 14091.49  1634.02 23035.90  5395.84 13188.43  1714.53  222.376   30.703  178.048   11.928 44.32710 32.93837 
1 1 1   22   28   11 o  121.537   10.335  6142.15  1010.22  8148.88  4193.16  6018.49  1040.88  125.247   37.951  120.174   10.782 5.072937 39.45326 
1 1 1   22   28   12 o  205.160   11.838 17581.48  1963.65 27067.21  5832.35 16368.75  2085.40  237.120   31.038  197.319   13.090 39.80092 33.68526 
1 1 1   22   28   13 o  144.493   11.886  8782.53  1382.14  9313.85  5268.23  8743.25  1432.31  124.681   42.946  143.960   12.374 -19.27876 44.69313 
1 1 1   22   28   14 o  124.734   13.075  6645.10  1304.59  3818.44  5325.93  6825.52  1345.58   92.018   39.554  126.315   13.320 -34.29697 41.73690 
1 1 1   22   28   15 o  151.297   13.575  9863.40  1649.90 10289.77  6953.89  9837.97  1698.40  113.611   46.770  150.808   14.031 -37.19653 48.82914 
1 1 1   22   28   16 o   61.426   19.528  1767.48  1095.44   0.0000   0.0000  1767.48  1095.44  ?   ?    61.426   19.528 0.000000 19.52823 
1 1 1   22   28   17 o   49.691   18.571  1030.99  1008.20   0.0000   0.0000  1030.99  1008.20  ?   ?    49.691   18.571 0.000000 18.57118 
1 1 1   22   28   18 o   55.643   22.654  1388.43  1609.12   0.0000   0.0000  1388.43  1609.12  ?   ?    55.643   22.654 0.000000 22.65426 
1 1 1   22   30    0 o  226.411   19.293 21715.91  3512.99   0.0000   0.0000 21715.91  3512.99  ?   ?   226.411   19.293 0.000000 19.29320 
1 1 1   22   30    1 o   59.217   22.664  1094.22  1522.27   0.0000   0.0000  1094.22  1522.27  ?   ?    59.217   22.664 0.000000 22.66358 
1 1 1   22   30    2 o  284.625   21.302 34586.77  4887.41   0.0000   0.0000 34586.77  4887.41  ?   ?   284.625   21.302 0.000000 21.30240 
1 1 1   22   30    3 o   80.352   22.634  2846.77  1539.70   0.0000   0.0000  2846.77  1539.70  ?   ?    80.352   22.634 0.000000 22.63365 
1 1 1   22   30    4 o  167.937   17.318 11949.82  2327.64 12077.88  5285.56 11919.01  2592.57  155.246   41.234  166.801   19.511 -11.55533 45.61732 
1 1 1   22   30    5 o  154.861   18.168 10241.96  2241.05 13934.26  4980.94  9304.81  2509.38  169.317   37.243  145.938   21.849 23.37949 43.17850 
1 1 1   22   30    6 o   49.910   20.015  583.754  1235.11 -1805.1710  3756.78  873.259  1307.81   66.114   30.418   54.000   20.917 12.11422 36.91589 
1 1 1   22   30    7 o   89.767   22.196  3623.57  1608.68  6786.46  3800.84  2933.35  1775.55  117.215   36.249   80.963   24.732 36.25210 43.88257 
1 1 1   22   30    8 f  198.464   10.748 16316.20  1725.59 28848.01  6141.30 15242.00  1798.03  247.779   31.218  191.477   11.620 56.30209 33.31043 
1 1 1   22   30    9 o  191.956   12.443 15404.74  1928.89 16864.35  6653.39 15270.81  2015.44  171.400   46.587  190.825   13.087 -19.42500 48.39034 
1 1 1   22   30   10 o  186.054   11.806 14469.00  1774.32 18075.09  6007.15 14124.33  1857.18  181.835   41.590  183.480   12.541 -1.644913 43.43947 
1 1 1   22   30   11 o  113.216   10.748  5372.88  976.199 16228.18  5960.94  5073.72  989.558  166.563   43.575  109.826   11.256 56.73792 45.00530 
1 1 1   22   30   12 o  152.927   11.828  9861.67  1457.27 13871.85  6849.69  9671.56  1491.41  139.988   48.927  151.234   12.251 -11.24657 50.43711 
1 1 1   22   30   13 o  107.758   13.241  5003.34  1134.16  9656.71  6771.54  4869.04  1150.41  113.977   46.446  106.084   13.674 7.892937 48.41730 
1 1 1   22   30   14 o  124.725   14.917  6847.50  1480.69   0.0000   0.0000  6847.50  1480.69  ?   ?   124.725   14.917 0.000000 14.91678 
1 1 1   22   30   15 o   46.186   18.055  743.444  981.411   0.0000   0.0000  743.444  981.411  ?   ?    46.186   18.055 0.000000 18.05549 
1 1 1   22   30   16 o   48.944   19.389  908.634  1145.23   0.0000   0.0000  908.634  1145.23  ?   ?    48.944   19.389 0.000000 19.38919 
1 1 1   22   30   17 o   76.857   23.287  3364.05  1578.75   0.0000   0.0000  3364.05  1578.75  ?   ?    76.857   23.287 0.000000 23.28667 
1 1 1   22   32    0 o  160.361   21.328 11262.07  2708.21   0.0000   0.0000 11262.07  2708.21  ?   ?   160.361   21.328 0.000000 21.32818 
1 1 1   22   32    1 o  124.220   23.378  6920.71  2271.41   0.0000   0.0000  6920.71  2271.41  ?   ?   124.220   23.378 0.000000 23.37775 
1 1 1   22   32    2 o  236.346   21.575 24350.16  4094.79   0.0000   0.0000 24350.16  4094.79  ?   ?   236.346   21.575 0.000000 21.57542 
1 1 1   22   32    3 o  306.147   23.111 41223.09  5702.74   0.0000   0.0000 41223.09  5702.74  ?   ?   306.147   23.111 0.000000 23.11149 
1 1 1   22   32    4 o  248.397   21.506 26979.00  4294.65   0.0000   0.0000 26979.00  4294.65  ?   ?   248.397   21.506 0.000000 21.50552 
1 1 1   22   32    5 o  172.996   21.314 13186.14  2930.64 14235.03  6534.83 12922.08  3278.85  156.573   47.363  169.121   24.598 -12.54810 53.36980 
1 1 1   22   32    6 o  143.890   23.292  9348.08  2628.26 14927.13  6052.49  8051.57  2917.71  162.623   44.530  130.237   28.392 32.38609 52.81150 
1 1 1   22   32    7 o  201.824   21.497 18080.54  3468.55 20187.11  7486.63 17504.79  3913.95  181.908   49.408  195.518   25.244 -13.60977 55.48312 
1 1 1   22   32    8 o   68.422   9.5684  1970.39  517.042 -3394.2859  5543.75  2017.46  519.306   72.506   34.482   69.271   9.4817 3.234802 35.76210 
1 1 1   22   32    9 o  122.170   10.641  6252.33  1045.01 11380.25  5759.98  6077.80  1062.64  134.680   44.923  120.315   10.999 14.36491 46.25023 
1 1 1   22   32   10 o  101.732   11.093  4373.31  901.467  9133.96  7177.29  4297.00  908.663  114.933   47.437  100.757   11.302 14.17534 48.76509 
1 1 1   22   32   11 o  172.871   12.409 12702.39  1730.20 18036.58  7419.00 12395.59  1779.26  151.720   50.983  170.420   12.955 -18.69943 52.60373 
1 1 1   22   32   12 o   18.171   9.0790 -1451.6780  552.766   0.0000   0.0000 -1451.6780  552.766  ?   ?    18.171   9.0790 0.000000 9.078981 
1 1 1   22   32   13 o   99.748   14.048  4402.76  1106.27   0.0000   0.0000  4402.76  1106.27  ?   ?    99.748   14.048 0.000000 14.04816 
1 1 1   22   32   14 o   30.086   14.139 -738.3888  881.715   0.0000   0.0000 -738.3888  881.715  ?   ?    30.086   14.139 0.000000 14.13888 
1 1 1   22   32   15 o   24.168   11.946 -1707.7690  859.446   0.0000   0.0000 -1707.7690  859.446  ?   ?    24.168   11.946 0.000000 11.94550 
1 1 1   22   34    0 o   59.620   23.776  1056.92  1732.69   0.0000   0.0000  1056.92  1732.69  ?   ?    59.620   23.776 0.000000 23.77620 
1 1 1   22   34    1 o  120.787   29.979  7160.22  2926.37   0.0000   0.0000  7160.22  2926.37  ?   ?   120.787   29.979 0.000000 29.97887 
1 1 1   22   34    2 o  204.099   24.824 19085.56  4029.08   0.0000   0.0000 19085.56  4029.08  ?   ?   204.099   24.824 0.000000 24.82352 
1 1 1   22   34    3 o  114.309   32.083  6613.31  3099.42   0.0000   0.0000  6613.31  3099.42  ?   ?   114.309   32.083 0.000000 32.08257 
1 1 1   22   34    4 o   86.169   29.604  3519.59  2502.52   0.0000   0.0000  3519.59  2502.52  ?   ?    86.169   29.604 0.000000 29.60385 
1 1 1   22   34    5 o  135.386   29.956  9090.67  3205.83   0.0000   0.0000  9090.67  3205.83  ?   ?   135.386   29.956 0.000000 29.95602 
1 1 1   22   34    6 o  106.541   30.253  5771.45  2739.44 10331.11  7278.40  5018.91  2956.87  121.987   48.704   98.649   32.153 23.33826 58.36008 
1 1 1   22   34    7 o  170.709   26.740 14050.52  3584.75 19961.54  8436.46 12748.14  3960.02  158.418   54.359  157.101   32.128 1.317215 63.14358 
1 1 1   22   34    8 o  186.012   12.070 14645.37  1813.17 33794.14  8865.38 13809.42  1852.32  222.530   50.253  180.185   12.743 42.34517 51.84356 
1 1 1   22   34    9 o   13.858   6.7598 -450.8308  247.867 -633.2911  7356.55 -450.6234  248.008   81.502   39.024   13.866   6.7633 67.63610 39.60531 
1 1 1   22   34   10 o  110.592   11.524  5232.54  1019.59   0.0000   0.0000  5232.54  1019.59  ?   ?   110.592   11.524 0.000000 11.52362 
1 1 1   22   34   11 o   58.705   15.168  1577.07  728.172   0.0000   0.0000  1577.07  728.172  ?   ?    58.705   15.168 0.000000 15.16799 
1 1 1   22   34   12 o  111.701   13.533  5541.01  1202.40   0.0000   0.0000  5541.01  1202.40  ?   ?   111.701   13.533 0.000000 13.53345 
1 1 1   22   34   13 o   36.173   14.701  350.916  676.110   0.0000   0.0000  350.916  676.110  ?   ?    36.173   14.701 0.000000 14.70112 
1 1 1   22   34   14 o   28.291   13.514 -895.3547  870.966   0.0000   0.0000 -895.3547  870.966  ?   ?    28.291   13.514 0.000000 13.51375 
1 1 1   22   36    0 o  223.328   27.372 24300.67  4859.64   0.0000   0.0000 24300.67  4859.64  ?   ?   223.328   27.372 0.000000 27.37228 
1 1 1   22   36    1 o  120.144   33.006  7791.13  3318.73   0.0000   0.0000  7791.13  3318.73  ?   ?   120.144   33.006 0.000000 33.00558 
1 1 1   22   36    2 o  103.385   33.352  5837.76  3186.35   0.0000   0.0000  5837.76  3186.35  ?   ?   103.385   33.352 0.000000 33.35180 
1 1 1   22   36    3 o  113.386   34.351  7190.46  3435.55   0.0000   0.0000  7190.46  3435.55  ?   ?   113.386   34.351 0.000000 34.35114 
1 1 1   22   36    4 o   78.234   31.502  2697.99  3073.34   0.0000   0.0000  2697.99  3073.34  ?   ?    78.234   31.502 0.000000 31.50242 
1 1 1   22   36    5 o   93.951   33.600  4927.29  3245.83   0.0000   0.0000  4927.29  3245.83  ?   ?    93.951   33.600 0.000000 33.60050 
1 1 1   22   36    6 o  179.259   28.322 16434.51  3985.45 20542.80  9844.74 15629.24  4358.58  134.151   55.479  168.723   32.997 -34.57294 64.54989 
1 1 1   22   36    7 o   54.879   24.935 -281.6938  2422.27 -5966.0308  9130.13  148.705  2512.30   75.556   37.615   57.877   25.924 17.67896 45.68298 
1 1 1   22   36    8 o  149.397   11.595  9567.27  1395.49   0.0000   0.0000  9567.27  1395.49  ?   ?   149.397   11.595 0.000000 11.59472 
1 1 1   22   36    9 o  169.015   12.723 12445.93  1733.22   0.0000   0.0000 12445.93  1733.22  ?   ?   169.015   12.723 0.000000 12.72295 
1 1 1   22   36   10 o  118.640   12.194  6173.60  1157.98   0.0000   0.0000  6173.60  1157.98  ?   ?   118.640   12.194 0.000000 12.19431 
1 1 1   22   36   11 o   75.077   13.148  2560.78  772.318   0.0000   0.0000  2560.78  772.318  ?   ?    75.077   13.148 0.000000 13.14842 
1 1 1   22   36   12 o   76.832   14.176  2765.27  851.787   0.0000   0.0000  2765.27  851.787  ?   ?    76.832   14.176 0.000000 14.17601 
1 1 1   22   38    0 o   75.137   31.108  2712.74  3100.17   0.0000   0.0000  2712.74  3100.17  ?   ?    75.137   31.108 0.000000 31.10784 
1 1 1   22   38    1 o  108.409   36.709  7747.24  3846.54   0.0000   0.0000  7747.24  3846.54  ?   ?   108.409   36.709 0.000000 36.70926 
1 1 1   22   38    2 o   74.153   31.118  2569.10  3163.59   0.0000   0.0000  2569.10  3163.59  ?   ?    74.153   31.118 0.000000 31.11764 
1 1 1   22   38    3 o  127.691   37.423 10767.65  4130.49   0.0000   0.0000 10767.65  4130.49  ?   ?   127.691   37.423 0.000000 37.42264 
1 1 1   22   38    4 o   85.931   34.771  4723.99  3763.86   0.0000   0.0000  4723.99  3763.86  ?   ?    85.931   34.771 0.000000 34.77059 
1 1 1   22   38    5 o   83.868   34.498  4596.07  3779.77   0.0000   0.0000  4596.07  3779.77  ?   ?    83.868   34.498 0.000000 34.49830 
1 1 1   22   38    6 o   58.290   27.030 -49.9703  3052.16   0.0000   0.0000 -49.9703  3052.16  ?   ?    58.290   27.030 0.000000 27.03001 
1 1 1   22   38    7 o   60.683   28.606   7.0492  3659.20   0.0000   0.0000   7.0492  3659.20  ?   ?    60.683   28.606 0.000000 28.60594 
1 1 1   22   38    8 o  137.245   12.514  8365.87  1379.18   0.0000   0.0000  8365.87  1379.18  ?   ?   137.245   12.514 0.000000 12.51372 
1 1 1   22   38    9 o   73.888   11.303  2434.53  656.582   0.0000   0.0000  2434.53  656.582  ?   ?    73.888   11.303 0.000000 11.30339 
1 1 1   22   40    0 o   58.991   28.330 -563.4446  3942.43   0.0000   0.0000 -563.4446  3942.43  ?   ?    58.991   28.330 0.000000 28.33012 
1 1 1   22   40    1 o   51.828   25.317 -2465.4680  3511.34   0.0000   0.0000 -2465.4680  3511.34  ?   ?    51.828   25.317 0.000000 25.31664 
1 1 1   22   40    2 o   85.035   35.497  6305.55  4084.68   0.0000   0.0000  6305.55  4084.68  ?   ?    85.035   35.497 0.000000 35.49743 
1 1 1   22   40    3 o   85.333   37.357  7522.14  4933.07   0.0000   0.0000  7522.14  4933.07  ?   ?    85.333   37.357 0.000000 37.35705 
1 1 1   22   40    4 o   69.177   31.196  3173.58  3707.79   0.0000   0.0000  3173.58  3707.79  ?   ?    69.177   31.196 0.000000 31.19595 
1 1 1   22   40    5 o   81.333   35.720  6990.72  4541.95   0.0000   0.0000  6990.72  4541.95  ?   ?    81.333   35.720 0.000000 35.71958 
1 1 1   22   40    6 o   80.899   35.672  7563.04  4571.45   0.0000   0.0000  7563.04  4571.45  ?   ?    80.899   35.672 0.000000 35.67157 
1 1 1   23    1    0 o  536.441   26.285 117628.10 11448.83 117193.70 16187.47 118062.90 16194.71  532.269   37.699  534.284   37.569 -2.015015 53.22281 
1 1 1   23    1    1 o  616.106   21.027 154731.09 10518.97 155069.20 14872.19 154392.59 14879.94  615.534   29.757  614.175   29.838 1.357971 42.13990 
1 1 1   23    1    2 o  261.026   9.8868 27683.51  2095.45 27341.79  2957.00 28028.21  2969.86  258.920   14.119  262.169   14.002 -3.249390 19.88441 
1 1 1   23    1    4 o  732.482   24.699 218673.00 14690.01 223208.59 20776.72 214139.00 20772.91  738.650   34.642  723.371   35.367 15.27899 49.50629 
1 1 1   23    1    5 o  1184.90   39.747 575174.38 38240.19 572912.38 54081.73 577436.12 54077.85  1177.13   56.583  1181.85   56.353 -4.724854 79.85815 
1 1 1   23    1    6 o  1512.06   51.125 941376.12 62767.79 913250.12 88771.46 969496.62 88762.64  1476.16   74.301  1524.19   71.722 -48.02075 103.2699 
1 1 1   23    1    7 o  995.210   33.211 404651.91 26837.43 427679.19 37960.09 381639.81 37947.63  1020.23   45.824  961.823   48.750 58.41193 66.90543 
1 1 1   23    1    8 o  825.206   39.652 279572.81 26568.65 278608.69 37575.59 280536.81 37571.92  817.110   56.992  820.032   56.777 -2.922668 80.44730 
1 1 1   23    1    9 o  340.139   11.938 47041.15  3296.93 46795.00  4668.40 47286.07  4656.75  338.559   17.037  340.770   16.830 -2.210388 23.94781 
1 1 1   23    1   10 o  472.599   16.014 91025.76  6145.22 92611.52  8696.01 89443.89  8685.31  475.807   22.509  467.540   22.879 8.266510 32.09469 
1 1 1   23    1   11 o  121.097   6.5572  5975.59  642.340  4478.32  893.902  7574.13  923.639  104.376   10.699  136.243   8.3901 -31.86760 13.59616 
1 1 1   23    1   12 o  481.621   19.345 94894.74  7565.12 95286.10 13158.55 94701.52  9245.95  477.647   34.154  480.212   23.713 -2.564789 41.57841 
1 1 1   23    1   13 o  110.414   6.7775  4973.49  604.682  5257.97  864.227  4700.66  846.351  113.288   9.4824  107.030   9.8493 6.257835 13.67202 
1 1 1   23    1   14 o  347.630   12.616 49278.02  3561.01 49798.11  5045.47 48761.79  5026.63  348.238   17.904  344.559   18.030 3.679443 25.40933 
1 1 1   23    1   15 o   33.084   11.580  394.036  383.789  689.385  528.493   64.494  558.249   41.819   13.591   31.295   13.098 10.52393 18.87572 
1 1 1   23    1   16 o  245.798   9.7743 24623.68  1950.76 23264.34  2766.25 25968.44  2751.38  237.957   14.385  251.622   13.516 -13.66483 19.73853 
1 1 1   23    1   17 o  179.146   8.4588 13083.44  1230.42 11515.60  1735.15 14669.22  1745.05  167.133   12.885  189.034   11.423 -21.90106 17.21964 
1 1 1   23    1   18 o  203.977   9.3366 17017.39  1546.34 19346.67  2210.38 14784.69  2164.07  216.472   12.630  188.698   14.229 27.77425 19.02602 
1 1 1   23    1   19 o   84.725   12.773  3030.46  851.419  3648.51  2093.51  2907.98  931.974   90.156   26.704   82.542   14.431 7.613556 30.35367 
1 1 1   23    1   20 o  152.656   11.378  9687.33  1400.20 10813.31  2935.52  9355.70  1593.10  155.511   24.022  149.378   13.273 6.132523 27.44509 
1 1 1   23    1   21 o   74.703   15.952  2450.93  938.174  2450.93  938.174   0.0000   0.0000   74.703   15.952  ?   ?  0.000000 15.95213 
1 1 1   23    1   22 o  106.627   17.710  5052.74  1479.54  5052.74  1479.54   0.0000   0.0000  106.627   17.710  ?   ?  0.000000 17.71047 
1 1 1   23    1   23 o   60.038   14.963  1621.36  726.802  2556.34  1131.69  964.997  948.192   74.068   18.788   49.507   18.098 24.56115 26.08692 
1 1 1   23    1   24 o   41.098   15.216  645.857  673.721  649.182  1050.27  643.531  878.218   45.638   18.402   43.524   17.062 2.114704 25.09475 
1 1 1   23    1   25 o   35.155   14.283  340.394  637.948 -195.8736  867.410  972.228  941.532   33.414   15.077   47.326   17.892 -13.91205 23.39748 
1 1 1   23    3    0 o  170.634   15.203 11939.04  2084.31   0.0000   0.0000 11939.04  2084.31  ?   ?   170.634   15.203 0.000000 15.20308 
1 1 1   23    3    1 o  919.040   44.448 348617.91 33168.75 352171.41 46925.11 345069.69 46890.31  913.916   63.632  904.275   64.281 9.640869 90.44957 
1 1 1   23    3    2 o  610.074   20.620 151594.70 10214.36 149217.09 14426.69 153984.59 14463.94  604.259   29.404  613.889   29.017 -9.629761 41.31102 
1 1 1   23    3    3 o  328.037   11.833 43729.07  3151.75 47652.21  4452.31 39788.46  4462.22  342.299   16.019  312.226   17.674 30.07224 23.85324 
1 1 1   23    3    4 f  495.219   17.168 99746.48  6903.11 98540.33  9768.62 100949.60  9756.33  491.752   24.465  497.751   24.140 -5.999634 34.36978 
1 1 1   23    3    5 o  865.568   28.928 305607.00 20330.66 302866.41 28765.56 308342.31 28738.24  859.595   41.214  867.413   40.803 -7.817871 57.99550 
1 1 1   23    3    6 f  399.542   14.303 64880.62  4640.19 66743.59  6577.04 63034.35  6547.49  405.023   19.999  393.047   20.588 11.97556 28.70223 
1 1 1   23    3    7 o  995.838   38.898 406222.19 31452.29 416748.09 54466.08 400956.19 38524.88  997.624   67.639  987.052   48.069 10.57184 82.97942 
1 1 1   23    3    8 o  1295.40   43.337 690992.69 45582.56 714249.81 64482.42 667763.12 64444.55  1308.19   60.706  1263.69   62.807 44.49939 87.34921 
1 1 1   23    3    9 o  454.792   15.647 84204.08  5778.07 88925.45  8191.44 79528.58  8151.57  466.785   21.613  440.716   22.858 26.06888 31.45771 
1 1 1   23    3   10 o  212.592   8.3049 18368.42  1433.57 18161.57  2047.28 18567.43  2008.05  210.928   12.003  213.314   11.638 -2.385971 16.71869 
1 1 1   23    3   11 f  748.872   29.197 231256.41 17753.34 220969.59 21750.90 251787.09 30728.25  727.799   36.928  768.989   49.476 -41.18976 61.73725 
1 1 1   23    3   12 o  292.720   12.539 34900.88  2980.34 35887.45  5257.98 34433.87  3617.61  295.010   22.111  290.109   15.413 4.900391 26.95306 
1 1 1   23    3   13 o  397.445   14.155 64439.87  4567.83 62256.93  6476.78 66600.18  6443.12  389.089   20.574  403.148   19.683 -14.05908 28.47299 
1 1 1   23    3   14 o  289.914   11.022 34239.68  2594.47 33948.15  3688.16 34525.27  3650.41  287.726   15.848  290.224   15.547 -2.497681 22.20065 
1 1 1   23    3   15 o   73.605   8.7008  2235.59  509.941  2296.39  726.831  2176.66  715.630   74.008   12.543   71.980   12.709 2.028221 17.85658 
1 1 1   23    3   16 o  105.580   8.0144  4563.68  681.929  4365.64  1015.71  4726.21  920.145  102.629   12.443  107.110   10.724 -4.480949 16.42679 
1 1 1   23    3   17 o   87.361   10.214  3159.53  710.814  5044.13  1465.30  2579.57  812.860  109.276   17.073   78.249   13.268 31.02768 21.62213 
1 1 1   23    3   18 o   95.495   11.534  3797.89  876.245  4682.32  2131.57  3618.04  961.218  102.533   25.664   92.829   13.118 9.703705 28.82210 
1 1 1   23    3   19 o  164.121   10.141 11106.25  1344.81 11370.18  1722.42 10694.15  2152.30  165.281   12.938  158.872   16.946 6.409195 21.32036 
1 1 1   23    3   20 o   89.956   10.252  3376.83  735.431  2921.13  965.757  4005.86  1134.65   82.311   15.003   96.752   14.923 -14.44109 21.16105 
1 1 1   23    3   21 o  207.143   9.9033 17735.04  1665.67 18424.67  2401.40 17095.60  2312.35  208.726   14.255  201.022   14.259 7.703827 20.16236 
1 1 1   23    3   22 o   64.917   13.189  1839.10  671.508  1606.90  867.349  2186.54  1060.95   59.992   17.019   69.384   18.495 -9.391918 25.13415 
1 1 1   23    3   23 o  111.968   12.691  5403.75  1133.45  5898.48  1278.56  3587.81  2449.53  116.446   13.790   82.944   29.240 33.50147 32.32856 
1 1 1   23    3   24 o   48.375   15.771  1048.20  711.351  1441.64  955.285  558.502  1065.76   55.612   18.283   44.748   18.352 10.86468 25.90487 
1 1 1   23    3   25 o   24.110   11.468 -651.0452  613.628 -594.1537  815.350 -725.3608  931.880   29.209   13.685   30.654   14.446 -1.445009 19.89889 
1 1 1   23    5    0 o  610.806   42.839 154405.70 21111.72   0.0000   0.0000 154405.70 21111.72  ?   ?   610.806   42.839 0.000000 42.83892 
1 1 1   23    5    1 f  1182.64   57.383 582020.81 55102.48 589899.62 77949.00 574151.00 77904.36  1173.13   82.354  1156.43   83.529 16.70056 117.3001 
1 1 1   23    5    2 o  428.988   14.342 74820.48  4995.65 75125.68  7065.15 74515.34  7064.70  429.556   20.256  427.802   20.338 1.753387 28.70480 
1 1 1   23    5    3 o  370.711   12.872 55852.10  3874.43 57505.41  5489.00 54210.46  5469.60  375.968   17.981  364.546   18.540 11.42218 25.82666 
1 1 1   23    5    4 o  617.493   20.221 155172.20 10138.33 155673.91 14349.68 154672.30 14325.87  617.749   28.608  615.754   28.653 1.995117 40.49014 
1 1 1   23    5    5 o  761.312   25.323 236134.50 15653.60 232634.91 22156.56 239622.00 22118.55  754.275   36.177  765.607   35.581 -11.33264 50.74208 
1 1 1   23    5    6 o  448.953   17.953 81976.87  6544.59 89480.30 11315.69 78205.34  8022.51  467.353   29.977  437.690   22.651 29.66327 37.57299 
1 1 1   23    5    7 o  312.698   10.887 39727.17  2764.20 42757.98  3932.01 36765.77  3886.72  324.297   14.932  300.260   16.000 24.03766 21.88552 
1 1 1   23    5    8 o  273.488   10.002 30392.40  2221.06 29716.38  3162.46 31050.43  3120.09  269.913   14.483  275.966   13.970 -6.052307 20.12228 
1 1 1   23    5    9 o  539.919   18.633 118870.60  8168.61 119006.00 11576.61 118736.40 11527.86  539.027   26.450  538.431   26.368 0.5961914 37.34845 
1 1 1   23    5   10 o  326.807   11.625 43458.48  3084.64 42541.75  4386.05 44355.66  4339.01  322.513   16.807  329.812   16.203 -7.299500 23.34538 
1 1 1   23    5   11 o  645.391   21.561 170601.91 11298.67 163539.00 16003.60 177621.00 15953.97  628.824   31.344  655.860   29.958 -27.03552 43.35822 
1 1 1   23    5   12 o  143.919   8.0758  8447.36  939.903 11472.74  1748.26  7217.41  1114.70  167.303   12.971  132.770   10.424 34.53258 16.64036 
1 1 1   23    5   13 f  344.528   12.357 48374.06  3456.88 46749.54  4911.92 49968.28  4865.93  337.509   17.989  349.546   17.144 -12.03638 24.84999 
1 1 1   23    5   14 o  356.449   12.758 51827.85  3692.53 52227.87  5249.25 51436.03  5195.23  356.501   18.195  353.793   18.146 2.707214 25.69682 
1 1 1   23    5   15 o  180.917   9.6479 13368.47  1412.15 15845.73  2651.93 12388.02  1668.35  195.904   16.835  173.857   11.890 22.04662 20.61044 
1 1 1   23    5   16 o  207.480   10.634 17609.74  1785.48 16923.05  3298.03 17894.45  2123.59  201.327   20.459  208.842   12.582 -7.513977 24.01848 
1 1 1   23    5   17 o   98.192   9.1396  3969.02  720.318  3877.70  887.855  4144.88  1232.10   96.646   11.542   99.064   15.852 -2.417976 19.60913 
1 1 1   23    5   18 o  214.932   10.985 19012.55  1910.62 20549.12  2404.96 16383.24  3145.96  222.760   13.358  196.364   20.011 26.39651 24.05966 
1 1 1   23    5   19 o   63.029   10.953  1681.32  540.185  3042.78  766.003  334.454  761.887   85.200   11.355   39.279   15.731 45.92040 19.40152 
1 1 1   23    5   20 o   65.469   11.475  1823.69  587.779  2282.27  886.328  1463.69  785.303   72.376   15.546   58.012   16.102 14.36414 22.38206 
1 1 1   23    5   21 o   59.158   13.057  1520.75  610.409  833.142  776.646  2631.88  987.265   46.585   16.460   77.291   16.247 -30.70579 23.12781 
1 1 1   23    5   22 o   78.131   11.818  2614.12  726.289  1785.52  964.892  3697.29  1103.20   62.929   17.985   91.789   15.344 -28.85958 23.64069 
1 1 1   23    5   23 o   87.199   11.240  3260.05  777.311  3465.24  1004.59  2953.91  1227.06   88.483   14.484   79.222   19.262 9.261635 24.10013 
1 1 1   23    5   24 o   46.901   16.805  935.044  812.245  1145.86  880.699 -265.0956  2101.32   50.605   17.552   50.125   22.946 0.4805298 28.88939 
1 1 1   23    7    0 o  1198.18   85.245 614974.88 82393.03   0.0000   0.0000 614974.88 82393.03  ?   ?   1198.18   85.245 0.000000 85.24545 
1 1 1   23    7    1 o  535.015   20.332 116530.90  8832.38 125979.60 15401.20 111900.40 10781.51  553.816   34.420  523.877   25.346 29.93848 42.74500 
1 1 1   23    7    2 o  647.689   24.719 170967.80 12999.66 181648.30 22604.10 165689.70 15890.42  663.891   42.151  636.945   30.725 26.94556 52.16087 
1 1 1   23    7    3 o  676.208   25.392 186345.00 13941.80 216129.30 24243.49 171628.00 17041.65  724.835   41.364  648.188   32.380 76.64703 52.53019 
1 1 1   23    7    4 o  1430.21   54.535 844184.81 63329.95 939614.38 109791.70 796601.38 77527.38  1484.67   91.522  1382.53   69.062 102.1332 114.6553 
1 1 1   23    7    5 o  989.921   38.363 401092.00 30835.53 395306.91 53334.27 403996.81 37792.05  972.168   67.994  991.502   46.943 -19.33392 82.62438 
1 1 1   23    7    6 o  1429.61   47.256 840982.88 54854.43 904432.50 77592.34 777586.88 77559.43  1473.89   64.836  1361.98   70.374 111.9084 95.68768 
1 1 1   23    7    7 o  736.167   25.188 221073.30 15056.04 246556.20 21314.22 195694.30 21270.76  775.952   33.830  689.483   38.143 86.46960 50.98344 
1 1 1   23    7    8 o  724.894   23.918 214648.30 14078.03 218836.00 19932.18 210479.59 19886.57  729.747   33.639  715.526   34.229 14.22119 47.99193 
1 1 1   23    7    9 f  354.032   12.189 50997.47  3504.01 50155.28  4979.38 51823.64  4931.80  350.690   17.487  356.516   17.037 -5.825745 24.41404 
1 1 1   23    7   10 o  210.993   9.4339 18102.51  1616.21 17856.02  1993.24 18575.63  2761.51  209.129   11.786  212.810   16.101 -3.681107 19.95367 
1 1 1   23    7   11 f  344.067   12.104 48202.27  3381.60 46259.76  4805.74 50107.34  4759.20  336.049   17.675  350.333   16.731 -14.28336 24.33733 
1 1 1   23    7   12 o  520.181   20.948 110954.00  8847.83 111037.20 15483.97 110913.70 10781.38  513.619   37.385  518.821   25.593 -5.202393 45.30572 
1 1 1   23    7   13 o  842.020   33.504 296365.50 22906.74 306385.00 39855.59 291423.19 27991.94  829.188   59.594  827.475   41.797 1.712646 72.79072 
1 1 1   23    7   14 o  289.207   15.353 34297.29  3592.29 38624.42  5235.94 30449.05  4937.71  305.625   21.231  270.827   22.662 34.79755 31.05384 
1 1 1   23    7   15 o  438.534   18.121 79018.48  6452.53 80491.53  7934.97 76142.97 11086.49  440.744   22.245  423.840   32.461 16.90387 39.35188 
1 1 1   23    7   16 o  236.147   11.199 22778.22  2147.36 23862.57  2666.97 20779.43  3620.92  240.963   13.688  223.169   20.201 17.79459 24.40166 
1 1 1   23    7   17 f  112.844   8.1342  5220.93  740.309  5003.33  1070.58  5420.33  1024.83  109.769   12.219  114.505   11.165 -4.736404 16.55161 
1 1 1   23    7   18 o  106.159   8.2315  4633.46  703.992  4412.20  995.308  4854.98  995.882  102.809   12.159  108.051   11.529 -5.242416 16.75567 
1 1 1   23    7   19 o   99.342   8.7315  4075.65  697.149  2917.62  988.906  5219.77  982.956   82.323   15.359  112.028   10.946 -29.70557 18.86059 
1 1 1   23    7   20 o   80.180   10.570  2699.67  671.368  2415.39  859.955  3143.37  1074.35   74.663   14.708   84.979   16.161 -10.31627 21.85204 
1 1 1   23    7   21 o   63.603   12.498  1747.90  622.449  1859.95  762.307  1523.75  1078.21   65.069   14.767   59.505   19.417 5.563774 24.39386 
1 1 1   23    7   22 o  135.709   9.4797  7685.67  1038.02  7289.51  1444.79  8108.32  1492.32  130.156   13.885  137.521   13.540 -7.365280 19.39430 
1 1 1   23    7   23 o   49.987   15.043  1114.98  660.491  1151.65  856.029  1061.04  1038.28   51.362   17.318   51.257   18.907 0.1055946 25.63961 
1 1 1   23    7   24 o   45.529   15.080  922.487  649.459  884.197  745.231  1043.40  1324.29   45.419   16.115   51.921   20.759 -6.501961 26.28024 
1 1 1   23    9    0 o  658.240   31.955 177016.20 17078.86   0.0000   0.0000 177016.20 17078.86  ?   ?   658.240   31.955 0.000000 31.95483 
1 1 1   23    9    1 o  896.309   35.192 328569.41 25611.86 348407.41 44377.18 318661.31 31362.29  914.719   60.084  880.905   43.847 33.81396 74.38145 
1 1 1   23    9    2 o  113.990   8.6182  5307.60  791.772   0.0000   0.0000  5307.60  791.772  ?   ?   113.990   8.6182 0.000000 8.618170 
1 1 1   23    9    3 o  180.889   9.5546 13327.99  1398.35   0.0000   0.0000 13327.99  1398.35  ?   ?   180.889   9.5546 0.000000 9.554565 
1 1 1   23    9    4 o  943.617   35.070 364014.81 26870.09 429872.69 46663.70 331346.00 32865.66  1018.28   56.663  897.112   45.265 121.1638 72.52297 
1 1 1   23    9    5 o  378.256   14.214 58159.12  4365.58 82057.41  7683.54 46766.46  5305.06  448.966   21.077  338.460   19.385 110.5064 28.63566 
1 1 1   23    9    6 o  447.979   15.277 81614.56  5557.01 90564.85  7858.17 72661.36  7859.44  471.579   20.522  421.611   23.046 49.96790 30.85891 
1 1 1   23    9    7 o  887.188   28.628 322158.91 20622.32 351297.00 29170.66 293045.91 29158.08  923.279   38.911  840.912   42.846 82.36707 57.87815 
1 1 1   23    9    8 o  980.012   34.506 396226.31 27457.94 425011.91 38843.99 367478.00 38818.80  1007.85   47.467  933.508   51.412 74.34253 69.97337 
1 1 1   23    9    9 o  594.129   23.720 144689.50 11442.90 149951.50 14033.50 134250.09 19766.64  603.518   28.638  564.473   43.461 39.04517 52.04812 
1 1 1   23    9   10 o  176.975   9.0891 12768.99  1301.68 14420.75  2414.88 12092.53  1545.40  187.332   16.031  172.025   11.124 15.30721 19.51181 
1 1 1   23    9   11 o  210.824   10.189 18084.94  1744.21 17044.37  3212.89 18519.77  2076.92  203.117   19.730  212.910   12.063 -9.793610 23.12571 
1 1 1   23    9   12 o   63.858   12.208  1716.93  609.899  2987.11  1114.58  1174.05  728.670   84.002   16.926   53.241   15.751 30.76113 23.12107 
1 1 1   23    9   13 o  508.594   20.215 106230.40  8347.96 105728.60 10246.99 107220.50 14395.03  505.880   24.947  503.928   35.406 1.951538 43.31148 
1 1 1   23    9   14 o  473.830   19.586 92304.14  7535.35 94065.45  9256.27 88843.24 12975.17  476.265   24.013  457.339   35.212 18.92599 42.62049 
1 1 1   23    9   15 o  308.731   11.475 38903.01  2876.53 37985.42  4097.27 39794.87  4039.40  303.730   16.678  311.060   16.048 -7.330109 23.14466 
1 1 1   23    9   16 o  459.210   16.484 86917.36  6146.11 90301.00  8730.11 83592.30  8654.20  464.688   23.138  446.034   23.984 18.65408 33.32528 
1 1 1   23    9   17 o  170.592   8.4910 11884.55  1176.13 12760.82  1717.87 11111.41  1613.61  175.837   12.106  164.002   12.205 11.83427 17.19041 
1 1 1   23    9   18 o  309.734   11.970 39555.96  3010.48 41726.46  4304.00 37476.88  4212.39  315.332   16.871  298.454   17.459 16.87772 24.27833 
1 1 1   23    9   19 o  151.770   8.5614  9474.51  1050.73  8933.84  1510.29  9981.67  1462.75  146.170   12.856  154.933   11.714 -8.763107 17.39241 
1 1 1   23    9   20 o  114.196   8.9225  5397.57  820.751  5171.28  1133.85  5646.66  1189.58  110.628   12.863  115.652   12.887 -5.023872 18.20794 
1 1 1   23    9   21 o   42.433   12.757  766.337  475.168  1447.64  540.507 -1551.6479  996.979   57.846   11.905   28.620   13.868 29.22575 18.27674 
1 1 1   23    9   22 o   69.619   11.576  2089.44  631.418  2027.67  771.811  2214.46  1097.97   67.564   14.502   69.229   18.970 -1.664360 23.87885 
1 1 1   23    9   23 o   55.083   13.659  1367.12  607.887  1186.13  722.145  1807.24  1126.09   51.282   15.791   61.833   19.815 -10.55169 25.33703 
1 1 1   23    9   24 o   46.679   14.355  998.164  596.995  1130.36  685.724  584.206  1213.45   49.340   15.420   45.941   19.275 3.399143 24.68382 
1 1 1   23   11    0 o  871.356   41.981 311414.69 29702.32   0.0000   0.0000 311414.69 29702.32  ?   ?   871.356   41.981 0.000000 41.98135 
1 1 1   23   11    1 o  250.093   11.481 25412.23  2331.32 27210.40  4070.36 24534.37  2844.02  257.864   19.587  245.265   14.344 12.59880 24.27710 
1 1 1   23   11    2 o  164.145   10.996 10995.50  1457.11 11997.91  2089.85 10047.20  2032.68  171.121   15.199  156.354   16.248 14.76717 22.24906 
1 1 1   23   11    3 o  433.581   17.128 76457.55  6030.12 82238.01 10600.06 73691.83  7332.15  447.965   29.304  425.465   21.224 22.49979 36.18267 
1 1 1   23   11    4 o  755.560   28.972 233056.20 17774.13 251816.59 30935.35 223811.09 21716.43  779.878   49.104  739.277   36.178 40.60059 60.99183 
1 1 1   23   11    5 o  322.752   14.278 42358.94  3741.79 36402.18  6638.77 45132.28  4529.85  297.253   27.830  332.623   16.827 -35.36990 32.52139 
1 1 1   23   11    6 o  455.832   18.162 84643.34  6722.09 92053.55 11798.98 81082.33  8179.32  472.871   30.900  445.145   22.705 27.72565 38.34488 
1 1 1   23   11    7 o  428.419   17.675 74830.63  6148.50 69137.03 10807.48 77555.27  7476.30  408.430   32.867  435.755   21.130 -27.32550 39.07343 
1 1 1   23   11    8 o  426.084   31.366 75309.71 10775.42 75309.71 10775.42   0.0000   0.0000  426.084   31.366  ?   ?  0.000000 31.36646 
1 1 1   23   11    9 o  604.571   29.572 150832.30 14516.50 156849.50 20650.65 144954.30 20410.31  610.251   41.931  585.900   43.208 24.35101 60.20875 
1 1 1   23   11   10 o  373.471   14.864 56887.58  4507.34 53700.46  5519.38 63268.54  7809.69  361.874   18.849  391.538   24.692 -29.66367 31.06423 
1 1 1   23   11   11 o  514.180   20.685 108412.90  8635.98 103939.90 10583.21 117326.90 14940.05  501.346   26.088  528.977   34.981 -27.63077 43.63814 
1 1 1   23   11   12 o   14.899   7.3848 -802.6911  337.028 -502.5605  602.153 -939.6033  406.699   26.104   12.070   16.537   8.1816 9.567530 14.58160 
1 1 1   23   11   13 o  243.513   9.8694 24146.80  1951.42 23604.65  2771.96 24679.47  2747.65  239.951   14.292  245.444   13.844 -5.493347 19.89750 
1 1 1   23   11   14 o  458.852   16.084 86283.00  5992.63 87380.01  8510.08 85203.96  8440.07  459.598   22.804  453.217   23.011 6.381012 32.39637 
1 1 1   23   11   15 o  260.391   10.161 27660.54  2148.38 28593.18  3070.28 26765.79  3007.24  263.725   14.392  255.092   14.579 8.633514 20.48660 
1 1 1   23   11   16 o  322.622   11.975 42666.16  3136.94 43257.57  4471.48 42093.01  4401.95  322.813   17.121  318.440   17.087 4.372833 24.18844 
1 1 1   23   11   17 o  240.653   10.063 23736.45  1966.27 26247.20  2808.17 21321.53  2754.06  251.661   13.795  226.289   15.075 25.37233 20.43451 
1 1 1   23   11   18 o  179.323   8.5401 13169.50  1243.47 14507.86  1775.70 11881.65  1741.86  187.142   11.745  168.966   12.791 18.17570 17.36565 
1 1 1   23   11   19 o   63.062   10.015  1677.26  495.683  1938.38  575.868  930.555  973.810   67.704   10.841   50.550   18.361 17.15439 21.32313 
1 1 1   23   11   20 o   65.750   10.537  1833.21  543.556  1807.35  632.955  1905.85  1060.84   64.772   12.488   65.484   18.901 -0.7119522 22.65356 
1 1 1   23   11   21 o   61.895   11.435  1649.71  553.533  1963.94  657.723  886.792  1024.84   67.352   12.487   49.795   18.701 17.55696 22.48690 
1 1 1   23   11   22 o   77.166   10.826  2547.84  659.628  2319.98  773.641  3154.56  1262.40   72.527   13.638   82.151   19.260 -9.623489 23.59959 
1 1 1   23   11   23 o   50.815   13.290  1166.84  554.570  1404.15  618.142  187.909  1255.50   55.594   13.766   43.789   19.013 11.80561 23.47341 
1 1 1   23   11   24 o   30.888   12.635  219.873  503.503 -34.2592  557.996  1333.64  1168.15   28.602   12.542   53.213   19.970 -24.61095 23.58152 
1 1 1   23   13    0 o  372.697   19.290 56682.51  5817.52   0.0000   0.0000 56682.51  5817.52  ?   ?   372.697   19.290 0.000000 19.29009 
1 1 1   23   13    1 o  137.825   8.6007  7745.82  957.695  6616.35  1702.76  8268.44  1158.26  126.403   17.023  142.305   10.090 -15.90165 19.78875 
1 1 1   23   13    2 o  732.325   29.175 219065.91 17348.20 236985.70 30029.58 210089.59 21253.62  755.935   49.192  714.974   36.734 40.96014 61.39470 
1 1 1   23   13    3 o  434.406   22.131 77111.69  7780.09 74381.14 11058.83 79787.50 10947.44  425.059   32.283  440.586   30.795 -15.52701 44.61569 
1 1 1   23   13    4 o  175.319   8.1364 12486.60  1158.24 19461.99  2232.85  9918.75  1354.76  218.415   12.645  155.848   10.772 62.56708 16.61083 
1 1 1   23   13    5 o  379.255   15.112 58553.15  4653.61 69319.64  8266.59 53558.34  5630.53  410.964   24.891  361.911   19.230 49.05234 31.45355 
1 1 1   23   13    6 o  183.630   17.696 13878.23  2605.81 13878.23  2605.81   0.0000   0.0000  183.630   17.696  ?   ?  0.000000 17.69585 
1 1 1   23   13    7 o  152.377   11.291  9498.94  1387.07  9277.37  2063.87  9681.46  1873.18  149.800   17.285  153.367   15.244 -3.567307 23.04705 
1 1 1   23   13    8 o  320.608   16.962 42074.73  4399.84 45562.24  6338.06 38830.84  6112.69  332.428   23.635  306.518   24.772 25.91037 34.23868 
1 1 1   23   13    9 o  381.061   15.847 59260.30  4903.27 58548.72  8714.61 59589.91  5931.16  375.478   28.804  381.178   19.225 -5.700714 34.63047 
1 1 1   23   13   10 o  367.807   13.956 55170.12  4167.91 54888.38  5902.33 55450.32  5886.32  365.478   19.965  367.384   19.806 -1.905701 28.12247 
1 1 1   23   13   11 o  397.879   14.186 64608.89  4582.85 61123.43  6490.54 68074.23  6471.77  385.292   20.824  407.449   19.562 -22.15717 28.57124 
1 1 1   23   13   12 o  261.534   11.354 27876.19  2411.20 38601.52  4480.81 23504.56  2860.70  306.340   18.094  239.386   14.790 66.95427 23.36990 
1 1 1   23   13   13 o  271.641   10.017 30060.41  2209.39 29057.20  3144.91 31038.05  3104.59  266.162   14.608  275.234   13.937 -9.071686 20.19014 
1 1 1   23   13   14 o  205.377   8.1715 17172.60  1362.67 17524.50  1919.87 16815.35  1934.43  206.875   11.474  202.581   11.811 4.294220 16.46736 
1 1 1   23   13   15 o   42.983   10.199  784.824  350.618  363.129  445.284  1472.86  568.778   33.571   12.382   58.898   12.291 -25.32633 17.44656 
1 1 1   23   13   16 o  113.640   7.7752  5293.23  713.118  5313.10  969.654  5269.83  1052.43  113.383   10.658  112.719   11.668 0.6640320 15.80253 
1 1 1   23   13   17 o  174.903   8.5884 12518.37  1219.69 14315.94  1737.88 10773.52  1712.21  186.101   11.558  160.877   13.225 25.22482 17.56366 
1 1 1   23   13   18 o  141.172   8.0321  8186.99  916.894  7542.08  1271.48  8885.68  1323.44  134.570   11.755  146.298   11.227 -11.72878 16.25448 
1 1 1   23   13   19 o  131.153   8.3010  7090.50  879.435  6973.30  1186.28  7233.51  1310.38  129.194   11.426  131.262   12.443 -2.068298 16.89382 
1 1 1   23   13   20 o   38.662   10.907  638.859  357.266  843.362  388.960 -464.7930  903.589   44.181   10.908   33.480   15.219 10.70088 18.72403 
1 1 1   23   13   21 o   37.443   12.042  580.688  415.598  763.475  450.912 -451.0525  1071.29   42.095   12.372   36.728   16.647 5.366768 20.74096 
1 1 1   23   13   22 o   90.812   10.241  3509.56  741.927  3909.90  912.366  2728.01  1274.79   95.090   12.090   75.287   20.363 19.80310 23.68133 
1 1 1   23   13   23 o   64.112   11.481  1817.73  575.717  1996.88  635.568  998.674  1358.98   66.966   12.136   51.780   20.914 15.18638 24.17958 
1 1 1   23   15    0 o  258.501   14.797 27277.23  3092.93   0.0000   0.0000 27277.23  3092.93  ?   ?   258.501   14.797 0.000000 14.79711 
1 1 1   23   15    1 o  325.284   14.293 43049.23  3775.19 45027.21  6603.28 42088.78  4601.34  331.059   24.744  320.965   17.725 10.09393 30.43710 
1 1 1   23   15    2 o  269.191   15.359 29594.25  3343.19 29203.37  4789.41 29965.70  4668.87  266.519   22.338  270.128   21.463 -3.608643 30.97829 
1 1 1   23   15    3 o  901.992   44.601 338747.09 32665.42 319340.50 46267.73 358033.59 46124.36  860.463   66.745  914.615   62.483 -54.15173 91.42759 
1 1 1   23   15    4 o  351.931   26.971 51110.20  7648.45 51110.20  7648.45   0.0000   0.0000  351.931   26.971  ?   ?  0.000000 26.97089 
1 1 1   23   15    5 o  356.445   18.812 52031.20  5425.31 53258.39  7756.49 50855.73  7591.28  359.062   26.798  350.811   26.854 8.250763 37.93774 
1 1 1   23   15    6 o  335.040   13.124 45717.82  3570.38 52925.02  6437.84 42516.41  4290.70  358.754   22.210  322.391   16.446 36.36215 27.63588 
1 1 1   23   15    7 o  253.505   14.427 26281.62  2957.42 31030.29  4318.24 22086.69  4058.67  274.759   19.482  231.148   21.886 43.61180 29.30088 
1 1 1   23   15    8 o  130.695   8.0211  6970.33  847.086 10337.50  1693.87  5847.41  978.188  158.724   13.265  119.449   10.183 39.27516 16.72257 
1 1 1   23   15    9 o  177.449   9.2581 12844.24  1329.31 15938.97  2590.26 11737.76  1548.82  196.856   16.353  169.404   11.325 27.45255 19.89204 
1 1 1   23   15   10 o  491.603   20.565 99206.67  8208.75 91551.05 14512.55 102808.30  9954.12  464.316   38.851  499.279   24.554 -34.96350 45.95966 
1 1 1   23   15   11 o  201.680   10.346 16608.86  1688.47 17992.22  3251.01 16097.87  1975.86  208.481   19.429  198.302   12.332 10.17848 23.01226 
1 1 1   23   15   12 o  329.751   14.742 44468.78  3947.23 41020.82  7173.71 45965.97  4727.17  312.389   28.599  334.322   17.475 -21.93347 33.51549 
1 1 1   23   15   13 o  179.375   9.9772 13155.14  1447.40 16204.02  2851.48 12096.93  1679.91  197.722   17.957  171.688   12.129 26.03316 21.66948 
1 1 1   23   15   14 o  308.469   12.451 38946.18  3118.57 40781.01  4435.83 37152.98  4385.24  313.960   17.470  299.411   18.123 14.54852 25.17234 
1 1 1   23   15   15 o  232.610   8.8145 22093.68  1664.81 22099.69  2372.32 22087.86  2336.86  231.601   12.663  231.589   12.473 0.1260376E-01 17.77470 
1 1 1   23   15   16 o  384.307   12.360 60871.80  3857.01 62495.77  5517.59 59319.87  5393.79  386.448   17.584  376.462   17.646 9.986572 24.91113 
1 1 1   23   15   17 o  178.811   8.6007 13099.73  1248.73 12779.06  1770.52 13417.13  1761.46  175.301   12.521  179.771   12.139 -4.469543 17.43908 
1 1 1   23   15   18 o  234.729   9.8873 22701.99  1884.43 23835.20  2687.57 21606.07  2642.97  238.423   13.943  226.706   14.433 11.71611 20.06816 
1 1 1   23   15   19 o  126.420   8.5267  6605.33  870.142  7200.38  1132.89  5749.27  1358.82  131.361   10.715  115.836   14.784 15.52576 18.25875 
1 1 1   23   15   20 o   20.702   9.1427 -85.8994  301.467 -210.9326  319.012  957.945  921.748   19.559   8.9491   49.719   17.892 -30.15963 20.00560 
1 1 1   23   15   21 o   38.712   12.280  631.381  433.340  843.503  470.091 -568.3477  1117.97   43.946   12.551   36.541   16.731 7.404724 20.91561 
1 1 1   23   15   22 o   64.620   11.326  1827.50  572.579  2207.16  653.964  580.572  1185.15   70.976   11.759   46.633   19.264 24.34296 22.56975 
1 1 1   23   15   23 o   29.960   11.270  311.681  372.498  417.617  392.985 -625.6185  1168.94   32.657   11.690   35.684   16.608 -3.026768 20.31008 
1 1 1   23   17    2 o  356.798   15.531 51900.33  4499.33 47244.13  7803.23 54219.35  5506.94  337.545   28.745  363.870   18.702 -26.32468 34.29352 
1 1 1   23   17    3 o  526.723   21.740 113609.80  9297.99 112041.50 16089.36 114396.20 11393.06  517.003   38.606  526.739   26.726 -9.736267 46.95395 
1 1 1   23   17    4 o  244.875   14.670 24530.97  2903.42 24561.07  4189.82 24503.17  4027.13  243.991   21.364  243.848   20.530 0.1428070 29.62963 
1 1 1   23   17    5 o  198.311   8.8726 15991.37  1428.69 19936.50  2787.65 14585.99  1663.81  220.511   15.671  189.010   10.887 31.50150 19.08207 
1 1 1   23   17    6 o  206.128   13.417 17387.92  2233.34 17737.08  3299.05 17092.53  3034.36  207.232   19.849  203.621   18.557 3.610794 27.17236 
1 1 1   23   17    7 o  1067.31   43.087 481967.41 37340.30 471471.19 65017.49 487133.19 45612.77  1004.62   80.379  1062.19   52.887 -57.56512 96.21707 
1 1 1   23   17    8 o  510.448   21.871 107031.80  9064.66 99922.23 16054.97 110358.70 10982.62  484.525   41.200  516.351   26.282 -31.82642 48.86903 
1 1 1   23   17    9 o   87.270   8.9922  3131.52  628.069  1559.19  1530.61  3449.87  688.723   65.603   23.115   91.595   9.3934 -25.99274 24.95051 
1 1 1   23   17   10 o  509.163   20.313 106566.60  8398.00 113736.00 14923.21 103243.90 10159.34  518.297   35.678  498.924   25.159 19.37350 43.65641 
1 1 1   23   17   11 o  206.197   10.042 17320.74  1681.29 24629.77  3359.45 14878.35  1941.98  244.525   17.027  190.507   12.626 54.01814 21.19712 
1 1 1   23   17   12 o  182.631   10.424 13643.92  1539.35 13387.59  3038.95 13732.39  1785.35  178.766   21.359  182.989   12.084 -4.222092 24.54055 
1 1 1   23   17   13 o  373.255   16.027 57303.15  4857.35 61320.94  8883.60 55589.70  5801.37  379.586   29.043  365.973   19.594 13.61389 35.03488 
1 1 1   23   17   14 o  346.332   14.792 49448.74  4159.68 63459.15  7920.24 44112.26  4888.10  385.928   25.417  325.191   18.590 60.73715 31.48998 
1 1 1   23   17   15 o  125.932   10.708  6553.45  1084.57 13557.03  2771.45  5286.92  1178.57  178.650   19.419  112.475   13.154 66.17533 23.45413 
1 1 1   23   17   16 o  312.893   14.201 40689.27  3607.92 50049.82  7069.05 37392.04  4195.51  337.178   26.022  297.756   17.429 39.42209 31.31956 
1 1 1   23   17   17 o  121.665   11.955  6187.73  1165.76  6912.73  3100.04  6068.32  1258.10  120.029   31.435  120.126   13.111 -0.9752655E-01 34.06009 
1 1 1   23   17   18 o  102.987   13.200  4501.86  1078.40  3800.49  3665.44  4568.32  1128.34   92.327   35.208  103.566   13.758 -11.23916 37.80031 
1 1 1   23   17   19 o  155.787   9.1791 10064.85  1155.97 11242.00  1600.43  8780.87  1671.47  163.416   12.148  143.183   14.580 20.23335 18.97822 
1 1 1   23   17   20 o   24.256   10.009   81.092  319.390  196.762  339.217 -822.4918  948.094   27.202   10.620   31.558   14.776 -4.355545 18.19708 
1 1 1   23   17   21 o   40.731   11.014  726.480  372.995  1042.71  398.360 -1522.1479  1062.27   48.897   10.356   29.656   14.357 19.24109 17.70178 
1 1 1   23   17   22 o   76.542   22.260  3062.85  1466.52   0.0000   0.0000  3062.85  1466.52  ?   ?    76.542   22.260 0.000000 22.26037 
1 1 1   23   19    0 o  204.228   13.679 17074.29  2255.26   0.0000   0.0000 17074.29  2255.26  ?   ?   204.228   13.679 0.000000 13.67922 
1 1 1   23   19    1 o  477.994   24.904 94196.71  9632.30   0.0000   0.0000 94196.71  9632.30  ?   ?   477.994   24.904 0.000000 24.90431 
1 1 1   23   19    2 o  488.419   20.514 97704.39  8135.48 94153.55 14146.11 99459.20  9944.60  473.459   37.094  491.128   25.020 -17.66840 44.74360 
1 1 1   23   19    3 o  155.174   10.713  9846.15  1341.49  9448.17  2361.33 10035.81  1630.10  150.663   19.781  156.413   12.952 -5.750137 23.64353 
1 1 1   23   19    4 o  379.930   20.638 59326.94  6342.64 55694.63  9110.76 62742.90  8835.27  365.267   31.012  388.736   28.183 -23.46912 41.90495 
1 1 1   23   19    5 o  173.633   13.206 12359.76  1847.91 10457.54  2742.05 13942.49  2501.20  158.152   21.944  183.939   16.937 -25.78668 27.72050 
1 1 1   23   19    6 o  503.943   20.302 104157.00  8307.18 108861.80 14797.37 101991.90 10038.31  508.531   36.071  497.424   24.854 11.10620 43.80436 
1 1 1   23   19    7 o  573.838   23.778 135703.30 11079.18 131568.30 19619.04 137639.41 13424.67  553.675   44.003  575.963   28.706 -22.28827 52.53842 
1 1 1   23   19    8 o  524.399   20.037 112945.00  8531.60 126335.20 15244.14 106838.00 10294.92  547.500   34.467  508.418   24.938 39.08154 42.54270 
1 1 1   23   19    9 o  410.076   18.042 68981.01  6007.34 62853.70 10895.94 71656.96  7200.61  384.471   35.297  416.573   21.360 -32.10266 41.25703 
1 1 1   23   19   10 o  119.489   9.7476  5854.38  937.483  2999.75  2074.18  6587.25  1050.96   85.247   26.847  126.726   10.303 -41.47874 28.75580 
1 1 1   23   19   11 o   85.522   10.702  3029.44  726.854  3163.56  1853.35  3005.06  790.156   86.216   25.011   84.997   11.764 1.218468 27.63931 
1 1 1   23   19   12 o   91.981   10.491  3498.70  769.510  7327.67  1957.09  2798.50  836.919  131.880   18.809   81.670   13.061 50.21004 22.89932 
1 1 1   23   19   13 o  174.142   10.901 12462.63  1533.59 14472.51  3728.67 12053.40  1682.48  183.000   25.810  170.986   12.199 12.01465 28.54791 
1 1 1   23   19   14 o  357.719   15.724 53147.22  4567.18 60073.18  8666.98 50484.55  5373.85  369.470   29.126  346.270   19.188 23.19980 34.87884 
1 1 1   23   19   15 o  134.107   11.025  7451.26  1189.88 10875.34  3559.15  7020.40  1262.53  154.189   29.503  129.873   12.112 24.31534 31.89296 
1 1 1   23   19   16 f  154.130   11.977  9892.60  1487.18  7109.56  4092.72 10315.97  1596.30  119.285   37.728  157.201   12.612 -37.91569 39.77982 
1 1 1   23   19   17 o   90.204   13.327  3467.59  946.722  4829.67  3730.33  3373.82  978.768  100.112   35.998   88.725   14.055 11.38730 38.64435 
1 1 1   23   19   18 o   43.224   17.103  500.658  890.100  1559.25  3152.85  408.979  927.843   74.248   31.106   42.689   17.267 31.55907 35.57740 
1 1 1   23   19   19 o   43.200   17.575  426.319  967.584 -6944.6338  4266.50  825.978  993.469   53.737   26.571   48.501   18.369 5.235958 32.30222 
1 1 1   23   19   20 o   84.745   19.279  3370.38  1296.65   0.0000   0.0000  3370.38  1296.65  ?   ?    84.745   19.279 0.000000 19.27857 
1 1 1   23   19   21 o   31.691   15.014 -974.4733  1031.46   0.0000   0.0000 -974.4733  1031.46  ?   ?    31.691   15.014 0.000000 15.01386 
1 1 1   23   19   22 o   37.091   17.986 -1853.9550  1685.27   0.0000   0.0000 -1853.9550  1685.27  ?   ?    37.091   17.986 0.000000 17.98602 
1 1 1   23   21    0 o  312.227   17.960 40020.58  4534.03   0.0000   0.0000 40020.58  4534.03  ?   ?   312.227   17.960 0.000000 17.96017 
1 1 1   23   21    1 o  350.758   19.731 50582.59  5596.65   0.0000   0.0000 50582.59  5596.65  ?   ?   350.758   19.731 0.000000 19.73104 
1 1 1   23   21    2 o  181.596   11.665 13488.47  1710.91 12521.04  3062.18 13927.53  2062.94  173.172   22.296  184.259   13.891 -11.08641 26.26882 
1 1 1   23   21    3 o  215.040   12.271 18906.67  2133.72 19268.84  3759.29 18734.55  2591.62  215.494   21.784  213.680   15.033 1.814056 26.46762 
1 1 1   23   21    4 o  214.397   12.289 18797.21  2130.43 18671.91  3711.99 18858.76  2601.57  212.029   21.875  214.366   15.042 -2.336594 26.54792 
1 1 1   23   21    5 o  173.191   13.860 12319.94  1932.75 11828.06  2921.57 12702.74  2577.32  168.206   21.911  175.124   18.400 -6.917557 28.61268 
1 1 1   23   21    6 o  147.952   8.9494  8940.41  1070.05  9289.49  2354.53  8849.54  1201.28  149.114   19.947  147.072   10.121 2.041977 22.36752 
1 1 1   23   21    7 o  494.794   22.402 100983.80  8999.97 92323.34 16133.38 104896.50 10844.08  461.429   43.577  501.970   26.702 -40.54095 51.10698 
1 1 1   23   21    8 o  132.434   8.9691  7172.83  958.785  9959.49  2372.78  6629.05  1048.17  154.472   19.342  127.145   10.240 27.32716 21.88515 
1 1 1   23   21    9 f  199.911   10.507 16338.58  1699.52 19110.82  3647.39 15569.76  1920.78  214.103   21.262  194.899   12.199 19.20485 24.51294 
1 1 1   23   21   10 f   30.208   11.746  229.912  413.592  1832.67  1596.20  114.562  428.217   69.035   23.646   28.491   11.653 40.54368 26.36157 
1 1 1   23   21   11 o   23.896   10.929 -325.9982  475.221  3928.19  2360.99 -505.6299  485.151   95.353   28.385   22.428   10.523 72.92434 30.27271 
1 1 1   23   21   12 o  320.034   13.804 42178.45  3587.01 53817.45  7022.30 38069.50  4172.41  355.424   24.482  302.474   17.058 52.95029 29.83900 
1 1 1   23   21   13 o  112.376   10.285  5220.87  928.062  5383.44  2683.56  5198.79  989.092  108.764   29.597  111.988   11.020 -3.224510 31.58220 
1 1 1   23   21   14 o  204.331   11.941 17287.24  1972.43 16236.50  4843.54 17496.14  2159.62  186.546   33.194  205.187   13.030 -18.64145 35.65955 
1 1 1   23   21   15 o  121.201   12.043  6139.90  1169.44  7408.81  3815.48  6008.33  1228.57  122.295   36.003  119.648   12.847 2.646904 38.22677 
1 1 1   23   21   16 o  124.856   12.726  6559.95  1272.16 10737.96  4143.08  6125.02  1336.74  145.869   35.350  120.177   13.959 25.69228 38.00631 
1 1 1   23   21   17 o  108.323   13.259  4995.39  1141.88  3818.92  4351.07  5082.41  1183.36   92.909   37.458  109.125   13.654 -16.21632 39.86900 
1 1 1   23   21   18 f   76.039   17.652  2614.22  1068.89  8337.07  3900.09  2149.45  1111.44  121.596   36.547   68.604   19.197 52.99211 41.28169 
1 1 1   23   21   19 o   77.873   18.377  2809.86  1143.28   0.0000   0.0000  2809.86  1143.28  ?   ?    77.873   18.377 0.000000 18.37737 
1 1 1   23   21   20 o  153.995   15.686 10656.86  1933.99   0.0000   0.0000 10656.86  1933.99  ?   ?   153.995   15.686 0.000000 15.68608 
1 1 1   23   21   21 o   79.299   20.706  3247.79  1347.62   0.0000   0.0000  3247.79  1347.62  ?   ?    79.299   20.706 0.000000 20.70582 
1 1 1   23   23    0 o  393.218   21.699 63844.95  6901.21   0.0000   0.0000 63844.95  6901.21  ?   ?   393.218   21.699 0.000000 21.69892 
1 1 1   23   23    1 o  339.436   19.590 47467.06  5376.23   0.0000   0.0000 47467.06  5376.23  ?   ?   339.436   19.590 0.000000 19.58987 
1 1 1   23   23    2 o  164.658   14.641 11164.66  1936.99   0.0000   0.0000 11164.66  1936.99  ?   ?   164.658   14.641 0.000000 14.64064 
1 1 1   23   23    3 o  315.228   19.053 40942.56  4853.80   0.0000   0.0000 40942.56  4853.80  ?   ?   315.228   19.053 0.000000 19.05303 
1 1 1   23   23    4 o  287.853   15.017 33975.19  3497.66 37549.75  6164.81 32278.34  4247.46  299.951   25.556  279.762   18.808 20.18900 31.73060 
1 1 1   23   23    5 o  547.875   23.380 124123.80 10400.68 131182.59 18027.66 120602.00 12733.53  552.041   40.502  536.519   29.341 15.52258 50.01264 
1 1 1   23   23    6 o  333.592   13.077 45457.81  3542.00 51436.39  6848.74 43274.83  4138.44  351.494   24.143  325.048   15.680 26.44522 28.78826 
1 1 1   23   23    7 o  321.519   13.344 42261.43  3483.73 44606.05  6730.71 41403.46  4071.54  326.374   25.604  317.801   15.779 8.573730 30.07522 
1 1 1   23   23    8 o   68.504   9.7326  1950.99  526.130  5647.30  1684.39  1551.36  553.841  115.679   18.561   60.626   11.675 55.05325 21.92689 
1 1 1   23   23    9 o   58.622   11.272  1451.28  517.075  7565.75  1968.63  998.198  535.890  134.094   18.580   48.579   13.229 85.51547 22.80836 
1 1 1   23   23   10 o  217.613   10.444 19364.97  1845.40 31440.98  4509.84 16936.33  2022.47  273.812   20.432  202.859   12.337 70.95390 23.86775 
1 1 1   23   23   11 o   99.800   11.097  4134.15  884.008  5278.40  3146.53  4036.10  921.107  108.202   32.895   98.463   11.753 9.738617 34.93217 
1 1 1   23   23   12 o   25.309   11.374 -229.6255  487.888 -949.7589  2810.00 -207.2416  495.413   60.543   27.243   25.808   11.539 34.73524 29.58623 
1 1 1   23   23   13 o   98.618   11.238  4058.31  883.811 -4150.3418  3437.53  4639.34  914.556   55.282   26.524  105.622   10.817 -50.33916 28.64454 
1 1 1   23   23   14 o   51.607   16.256  1115.67  760.470  5383.20  3288.73  874.592  781.654  105.817   33.857   47.616   16.534 58.20130 37.67863 
1 1 1   23   23   15 o  171.146   12.031 12236.82  1661.32  8867.99  4354.01 12810.86  1797.29  129.633   38.537  174.833   12.749 -45.19994 40.59050 
1 1 1   23   23   16 o   73.006   16.753  2367.70  972.032  2307.08  4465.53  2370.71  995.913   85.500   36.470   72.954   17.109 12.54566 40.28397 
1 1 1   23   23   17 o  134.160   13.159  7676.94  1415.02  3733.09  5429.25  7964.36  1465.67   92.234   39.792  136.553   13.391 -44.31936 41.98518 
1 1 1   23   23   18 o   42.445   17.683  326.467  1010.82   0.0000   0.0000  326.467  1010.82  ?   ?    42.445   17.683 0.000000 17.68335 
1 1 1   23   23   19 o   43.689   17.322  601.988  914.748   0.0000   0.0000  601.988  914.748  ?   ?    43.689   17.322 0.000000 17.32192 
1 1 1   23   23   20 o   49.420   19.310  978.203  1122.08   0.0000   0.0000  978.203  1122.08  ?   ?    49.420   19.310 0.000000 19.30996 
1 1 1   23   25    0 o  464.976   25.297 90103.77  9514.76   0.0000   0.0000 90103.77  9514.76  ?   ?   464.976   25.297 0.000000 25.29682 
1 1 1   23   25    1 o   46.865   17.611  667.624  909.036   0.0000   0.0000  667.624  909.036  ?   ?    46.865   17.611 0.000000 17.61081 
1 1 1   23   25    2 o  365.127   21.408 55236.23  6319.15   0.0000   0.0000 55236.23  6319.15  ?   ?   365.127   21.408 0.000000 21.40815 
1 1 1   23   25    3 f   61.795   17.968  1600.70  955.529  285.780  1884.19  2055.96  1108.67   57.531   24.070   69.576   19.061 -12.04467 30.70381 
1 1 1   23   25    4 o  286.314   15.562 33703.42  3604.20 31038.30  6371.50 34957.53  4370.69  270.344   29.505  290.836   18.606 -20.49179 34.88145 
1 1 1   23   25    5 o  105.452   15.668  4658.83  1300.76  4113.81  2450.43  4872.67  1534.86   97.962   28.857  107.348   18.263 -9.386169 34.15026 
1 1 1   23   25    6 o  143.691   16.141  8589.74  1850.58  7977.89  3031.08  8953.34  2336.62  135.221   28.505  145.753   20.295 -10.53247 34.99150 
1 1 1   23   25    7 o   49.627   10.170  1042.10  396.041  7061.56  2883.19  926.343  399.831  126.695   28.693   46.695   10.766 80.00056 30.64636 
1 1 1   23   25    8 o   78.414   9.7146  2549.62  605.282 11424.16  3043.32  2184.12  617.620  163.241   23.649   72.281   10.859 90.96003 26.02323 
1 1 1   23   25    9 o   76.818   9.9044  2453.70  603.384  4047.26  3105.70  2391.19  615.104   97.479   32.985   75.750   10.265 21.72857 34.54568 
1 1 1   23   25   10 o   38.996   12.122  623.167  424.399 -892.8729  3010.51  653.906  428.680   63.227   28.345   39.781   12.153 23.44616 30.83998 
1 1 1   23   25   11 o  269.741   13.728 30243.82  2996.83 31383.83  6796.23 29968.65  3338.99  261.298   32.752  267.692   15.427 -6.393982 36.20364 
1 1 1   23   25   12 o  208.109   11.974 17969.08  2014.76 19089.79  5432.57 17790.35  2169.47  199.977   34.716  206.676   12.994 -6.699631 37.06837 
1 1 1   23   25   13 o  184.797   11.477 14192.44  1713.62 14351.54  4713.65 14168.21  1839.49  170.742   35.171  184.299   12.364 -13.55681 37.28070 
1 1 1   23   25   14 o   23.666   11.024 -461.2087  516.647 -2901.5569  3945.35 -418.6313  521.134   62.664   29.590   24.207   11.205 38.45665 31.64038 
1 1 1   23   25   15 o   97.359   12.612  4033.93  973.552 14396.90  4027.62  3390.87  1003.30  171.732   29.975   88.491   14.463 83.24063 33.28152 
1 1 1   23   25   16 o   33.032   14.995 -419.4187  873.541 -703.2214  4596.71 -408.7856  889.755   71.945   33.295   33.470   15.170 38.47541 36.58809 
1 1 1   23   25   17 o   80.735   17.551  2984.65  1117.72   0.0000   0.0000  2984.65  1117.72  ?   ?    80.735   17.551 0.000000 17.55108 
1 1 1   23   25   18 o   79.968   19.727  3086.74  1272.96   0.0000   0.0000  3086.74  1272.96  ?   ?    79.968   19.727 0.000000 19.72704 
1 1 1   23   25   19 o   59.891   20.873  1771.43  1246.18   0.0000   0.0000  1771.43  1246.18  ?   ?    59.891   20.873 0.000000 20.87255 
1 1 1   23   27    0 o  581.767   47.444 153390.30 22216.02   0.0000   0.0000 153390.30 22216.02  ?   ?   581.767   47.444 0.000000 47.44357 
1 1 1   23   27    1 o  195.784   24.730 16265.82  3843.62   0.0000   0.0000 16265.82  3843.62  ?   ?   195.784   24.730 0.000000 24.72983 
1 1 1   23   27    2 o  368.794   31.443 58390.02  9325.59   0.0000   0.0000 58390.02  9325.59  ?   ?   368.794   31.443 0.000000 31.44284 
1 1 1   23   27    3 o  149.433   17.361  9332.05  2067.28  9285.95  3240.06  9363.71  2684.76  145.833   28.384  148.131   23.073 -2.297882 36.57861 
1 1 1   23   27    4 o   91.234   19.267  3577.85  1382.53  6842.65  3181.55  2817.83  1535.04  123.899   31.543   80.886   22.535 43.01245 38.76548 
1 1 1   23   27    5 o  167.361   15.550 11648.32  2089.00 15269.72  4259.02 10501.09  2397.16  186.962   28.994  157.867   19.089 29.09460 34.71401 
1 1 1   23   27    6 o  259.814   16.600 28085.04  3483.69 30941.11  6403.31 26884.27  4151.92  265.651   30.224  252.617   20.416 13.03439 36.47371 
1 1 1   23   27    7 o  165.625   10.818 11297.08  1446.87 14564.95  4608.50 10939.75  1523.92  178.998   32.921  162.800   11.604 16.19855 34.90672 
1 1 1   23   27    8 o  353.269   15.696 51919.38  4502.40 62472.01  9258.63 48650.98  5152.70  374.002   30.761  339.764   18.750 34.23776 36.02510 
1 1 1   23   27    9 o  163.253   10.299 10992.34  1358.14 18846.39  4593.40 10239.96  1421.70  204.884   28.373  157.316   11.203 47.56833 30.50461 
1 1 1   23   27   10 o  410.840   17.457 71204.60  5823.34 83222.09 11673.53 67223.27  6719.07  421.053   34.447  395.417   21.003 25.63571 40.34456 
1 1 1   23   27   11 o  124.989   11.388  6511.97  1143.01  5130.35  4580.55  6603.71  1180.34  105.097   39.524  125.786   11.691 -20.68859 41.21694 
1 1 1   23   27   12 o  148.112   11.365  9145.95  1356.31 16145.50  4628.69  8488.49  1418.58  182.740   32.380  142.301   12.401 40.43869 34.67406 
1 1 1   23   27   13 o   78.816   14.230  2689.88  877.155  7079.47  4088.64  2478.10  898.065  115.073   37.823   75.273   15.217 39.79969 40.76948 
1 1 1   23   27   14 o  183.304   12.669 14184.94  1874.02 16792.58  6483.85 13947.25  1957.57  163.200   46.614  181.351   13.389 -18.15132 48.49841 
1 1 1   23   27   15 o  169.875   13.839 12372.37  1892.28  8577.43  6877.77 12683.16  1968.24  110.729   46.129  171.741   14.243 -61.01218 48.27763 
1 1 1   23   27   16 o   73.001   18.661  2489.25  1110.37   0.0000   0.0000  2489.25  1110.37  ?   ?    73.001   18.661 0.000000 18.66115 
1 1 1   23   27   17 o   73.662   19.242  2618.45  1163.53   0.0000   0.0000  2618.45  1163.53  ?   ?    73.662   19.242 0.000000 19.24241 
1 1 1   23   27   18 o   48.302   18.739  932.689  1050.99   0.0000   0.0000  932.689  1050.99  ?   ?    48.302   18.739 0.000000 18.73943 
1 1 1   23   29    0 o   91.554   21.623  3664.81  1581.75   0.0000   0.0000  3664.81  1581.75  ?   ?    91.554   21.623 0.000000 21.62270 
1 1 1   23   29    1 o  149.208   18.864  9433.96  2234.32   0.0000   0.0000  9433.96  2234.32  ?   ?   149.208   18.864 0.000000 18.86378 
1 1 1   23   29    2 o   86.417   23.574  3279.17  1699.97   0.0000   0.0000  3279.17  1699.97  ?   ?    86.417   23.574 0.000000 23.57367 
1 1 1   23   29    3 o  157.296   19.468 10524.66  2433.31   0.0000   0.0000 10524.66  2433.31  ?   ?   157.296   19.468 0.000000 19.46775 
1 1 1   23   29    4 o  135.111   17.708  7750.60  1895.86  9148.25  3895.61  7316.83  2170.21  139.816   34.521  129.978   21.301 9.838379 40.56423 
1 1 1   23   29    5 o  127.755   18.054  6969.81  1820.64  5968.70  3736.71  7281.45  2084.85  113.143   36.078  129.763   20.465 -16.62020 41.47800 
1 1 1   23   29    6 o  219.093   17.225 20250.57  3039.53 21698.98  5784.34 19698.07  3572.51  215.810   34.146  214.247   20.798 1.563385 39.98165 
1 1 1   23   29    7 o   78.317   20.637  2713.61  1330.71  1850.02  3787.66  2835.22  1421.32   83.572   34.474   79.937   21.451 3.635353 40.60289 
1 1 1   23   29    8 o   79.328   9.2053  2617.38  581.914  5753.32  3775.92  2541.09  588.949  109.314   36.368   78.091   9.4829 31.22241 37.58416 
1 1 1   23   29    9 o  244.329   11.700 24728.73  2321.17 33533.59  6328.17 23359.96  2495.07  269.648   29.378  236.571   13.040 33.07710 32.14215 
1 1 1   23   29   10 o  156.887   10.625 10222.88  1345.53 14633.27  5624.55  9955.16  1385.77  164.542   41.967  154.649   11.110 9.893372 43.41239 
1 1 1   23   29   11 o  148.878   11.313  9260.62  1357.36  9344.05  5115.18  9254.30  1407.83  128.356   42.311  148.659   11.759 -20.30302 43.91505 
1 1 1   23   29   12 f   41.283   14.853  628.421  635.143  579.390  5234.64  629.153  639.870   81.678   36.928   41.359   14.905 40.31929 39.82290 
1 1 1   23   29   13 o  113.575   12.727  5501.94  1153.49  2020.72  6338.45  5621.18  1173.08   88.658   40.303  114.778   12.806 -26.11973 42.28820 
1 1 1   23   29   14 o   29.870   13.553 -343.7507  712.549  1361.12  5150.52 -377.0176  719.467   79.676   36.262   29.737   13.541 49.93944 38.70819 
1 1 1   23   29   15 o  206.673   14.982 18762.93  2497.03   0.0000   0.0000 18762.93  2497.03  ?   ?   206.673   14.982 0.000000 14.98169 
1 1 1   23   29   16 o  189.007   14.786 15934.65  2251.11   0.0000   0.0000 15934.65  2251.11  ?   ?   189.007   14.786 0.000000 14.78617 
1 1 1   23   29   17 o   50.401   19.907  1037.37  1203.96   0.0000   0.0000  1037.37  1203.96  ?   ?    50.401   19.907 0.000000 19.90738 
1 1 1   23   31    0 o  212.470   19.993 19368.57  3408.59   0.0000   0.0000 19368.57  3408.59  ?   ?   212.470   19.993 0.000000 19.99294 
1 1 1   23   31    1 o   56.542   22.672  785.486  1584.48   0.0000   0.0000  785.486  1584.48  ?   ?    56.542   22.672 0.000000 22.67163 
1 1 1   23   31    2 o  275.603   21.488 32779.88  4770.52   0.0000   0.0000 32779.88  4770.52  ?   ?   275.603   21.488 0.000000 21.48767 
1 1 1   23   31    3 o  167.941   20.751 12234.21  2769.47   0.0000   0.0000 12234.21  2769.47  ?   ?   167.941   20.751 0.000000 20.75095 
1 1 1   23   31    4 o   25.269   12.658 -3069.1279  1106.82   0.0000   0.0000 -3069.1279  1106.82  ?   ?    25.269   12.658 0.000000 12.65832 
1 1 1   23   31    5 o  193.255   18.469 16016.00  2862.83 17781.73  6370.56 15569.19  3204.65  183.622   43.412  188.920   21.261 -5.298248 48.33887 
1 1 1   23   31    6 o  249.240   19.467 26792.01  3908.36 28032.93  7813.75 26377.95  4513.55  230.957   43.256  244.508   23.005 -13.55046 48.99333 
1 1 1   23   31    7 o  149.877   21.861  9977.65  2582.07  7193.24  5851.24 10650.99  2877.39  116.741   44.491  153.754   23.818 -37.01303 50.46582 
1 1 1   23   31    8 f   46.156   10.514  915.719  385.216  5273.72  4854.28  888.102  386.435  103.968   40.291   45.433   10.659 58.53486 41.67710 
1 1 1   23   31    9 o  223.991   13.159 21112.72  2382.72 30316.63  7998.00 20216.29  2496.05  232.799   43.922  218.577   14.140 14.22136 46.14225 
1 1 1   23   31   10 o  ?   ?  -1286.1801  265.830 -1368.9220  5817.91 -1286.0070  266.108   78.552   36.724  ?   ?  0.000000 36.72422 
1 1 1   23   31   11 o  103.897   11.431  4569.22  948.368 11245.77  6815.87  4437.41  957.683  125.722   47.994  102.256   11.748 23.46611 49.41090 
1 1 1   23   31   12 o   83.645   12.846  3028.22  844.568  9993.17  5915.19  2883.27  853.310  118.529   44.839   81.373   13.380 37.15562 46.79225 
1 1 1   23   31   13 o  233.018   15.411 23820.19  2899.39   0.0000   0.0000 23820.19  2899.39  ?   ?   233.018   15.411 0.000000 15.41125 
1 1 1   23   31   14 o  138.461   14.135  8454.40  1566.91   0.0000   0.0000  8454.40  1566.91  ?   ?   138.461   14.135 0.000000 14.13549 
1 1 1   23   31   15 f   69.019   19.366  2361.72  1129.50   0.0000   0.0000  2361.72  1129.50  ?   ?    69.019   19.366 0.000000 19.36604 
1 1 1   23   31   16 o   26.652   12.984 -1357.4290  906.189   0.0000   0.0000 -1357.4290  906.189  ?   ?    26.652   12.984 0.000000 12.98400 
1 1 1   23   33    0 f  159.221   22.895 11352.51  2874.77   0.0000   0.0000 11352.51  2874.77  ?   ?   159.221   22.895 0.000000 22.89483 
1 1 1   23   33    1 o  117.979   28.375  6619.90  2684.89   0.0000   0.0000  6619.90  2684.89  ?   ?   117.979   28.375 0.000000 28.37467 
1 1 1   23   33    2 o  302.246   24.643 41075.88  5994.98   0.0000   0.0000 41075.88  5994.98  ?   ?   302.246   24.643 0.000000 24.64254 
1 1 1   23   33    3 o  184.568   24.490 15439.56  3579.46   0.0000   0.0000 15439.56  3579.46  ?   ?   184.568   24.490 0.000000 24.48953 
1 1 1   23   33    4 o  165.261   26.227 12639.76  3401.81   0.0000   0.0000 12639.76  3401.81  ?   ?   165.261   26.227 0.000000 26.22743 
1 1 1   23   33    5 o   75.427   27.811  2382.16  2246.05  3087.41  5995.97  2267.05  2422.43   95.673   41.546   75.327   28.646 20.34618 50.46431 
1 1 1   23   33    6 o  101.185   27.224  4936.85  2285.75 14049.92  6380.12  3594.95  2448.26  150.304   47.044   87.022   29.287 63.28190 55.41607 
1 1 1   23   33    7 o  200.575   22.248 18202.76  3562.22 19063.69  7556.34 17956.76  4039.21  168.324   50.933  195.620   26.080 -27.29619 57.22203 
1 1 1   23   33    8 o  110.912   9.8748  5144.50  879.991 12697.68  5866.44  4970.63  890.062  140.542   45.246  108.906   10.184 31.63513 46.37740 
1 1 1   23   33    9 o   24.834   8.9310  216.967  229.617 -32052.5801  6673.39  255.216  229.753  ?   ?    25.988   8.9676 0.000000 8.967568 
1 1 1   23   33   10 o   85.245   11.212  3102.38  757.208 -6881.7778  8228.75  3187.65  760.435   74.704   36.932   86.472   11.086 -11.76745 38.55965 
1 1 1   23   33   11 o  180.645   12.993 14039.81  1893.06   0.0000   0.0000 14039.81  1893.06  ?   ?   180.645   12.993 0.000000 12.99301 
1 1 1   23   33   12 o   80.787   15.251  2956.28  963.705   0.0000   0.0000  2956.28  963.705  ?   ?    80.787   15.251 0.000000 15.25052 
1 1 1   23   33   13 f  140.731   14.282  8850.54  1609.40   0.0000   0.0000  8850.54  1609.40  ?   ?   140.731   14.282 0.000000 14.28216 
1 1 1   23   33   14 o   63.708   18.898  2039.67  1047.88   0.0000   0.0000  2039.67  1047.88  ?   ?    63.708   18.898 0.000000 18.89769 
1 1 1   23   35    0 o  231.116   24.408 24730.21  4511.06   0.0000   0.0000 24730.21  4511.06  ?   ?   231.116   24.408 0.000000 24.40785 
1 1 1   23   35    1 o  112.722   30.797  6480.14  2898.78   0.0000   0.0000  6480.14  2898.78  ?   ?   112.722   30.797 0.000000 30.79736 
1 1 1   23   35    2 o   97.683   31.603  4885.60  2859.34   0.0000   0.0000  4885.60  2859.34  ?   ?    97.683   31.603 0.000000 31.60265 
1 1 1   23   35    3 o  204.770   28.854 20471.61  4664.41   0.0000   0.0000 20471.61  4664.41  ?   ?   204.770   28.854 0.000000 28.85385 
1 1 1   23   35    4 o   48.469   23.059 -2303.8750  2483.37   0.0000   0.0000 -2303.8750  2483.37  ?   ?    48.469   23.059 0.000000 23.05914 
1 1 1   23   35    5 o  125.809   33.440  8531.98  3474.55   0.0000   0.0000  8531.98  3474.55  ?   ?   125.809   33.440 0.000000 33.43979 
1 1 1   23   35    6 o   62.689   27.063  722.096  2514.56 -7021.5449  7822.56  1614.45  2655.49   73.880   36.427   69.372   28.761 4.508179 46.41269 
1 1 1   23   35    7 o   74.688   30.183  2367.55  2832.43 -10214.9902  8295.93  4027.84  3013.51   70.575   35.249   87.286   32.208 -16.71046 47.74827 
1 1 1   23   35    8 o  159.598   12.791 10938.12  1643.67   0.0000   0.0000 10938.12  1643.67  ?   ?   159.598   12.791 0.000000 12.79122 
1 1 1   23   35    9 o   92.189   11.290  3652.44  827.416   0.0000   0.0000  3652.44  827.416  ?   ?    92.189   11.290 0.000000 11.28956 
1 1 1   23   35   10 o   89.898   11.274  3494.61  804.864   0.0000   0.0000  3494.61  804.864  ?   ?    89.898   11.274 0.000000 11.27442 
1 1 1   23   35   11 o   64.538   13.157  1881.38  666.089   0.0000   0.0000  1881.38  666.089  ?   ?    64.538   13.157 0.000000 13.15716 
1 1 1   23   35   12 o   54.574   15.913  1420.65  748.566   0.0000   0.0000  1420.65  748.566  ?   ?    54.574   15.913 0.000000 15.91321 
1 1 1   23   35   13 o   72.586   18.702  2715.51  1109.11   0.0000   0.0000  2715.51  1109.11  ?   ?    72.586   18.702 0.000000 18.70238 
1 1 1   23   37    0 o   99.083   32.681  5560.70  3051.54   0.0000   0.0000  5560.70  3051.54  ?   ?    99.083   32.681 0.000000 32.68124 
1 1 1   23   37    1 o   94.329   34.203  5124.97  3376.86   0.0000   0.0000  5124.97  3376.86  ?   ?    94.329   34.203 0.000000 34.20315 
1 1 1   23   37    2 o  132.484   34.384 10087.85  3730.97   0.0000   0.0000 10087.85  3730.97  ?   ?   132.484   34.384 0.000000 34.38427 
1 1 1   23   37    3 o  143.306   35.525 12039.41  4113.04   0.0000   0.0000 12039.41  4113.04  ?   ?   143.306   35.525 0.000000 35.52500 
1 1 1   23   37    4 o   79.391   33.038  3082.20  3522.51   0.0000   0.0000  3082.20  3522.51  ?   ?    79.391   33.038 0.000000 33.03778 
1 1 1   23   37    5 o   75.482   31.775  2626.81  3315.66   0.0000   0.0000  2626.81  3315.66  ?   ?    75.482   31.775 0.000000 31.77537 
1 1 1   23   37    6 o   53.778   25.572 -1725.4700  3046.59   0.0000   0.0000 -1725.4700  3046.59  ?   ?    53.778   25.572 0.000000 25.57194 
1 1 1   23   37    7 f   69.974   31.006  1900.18  3495.47   0.0000   0.0000  1900.18  3495.47  ?   ?    69.974   31.006 0.000000 31.00609 
1 1 1   23   37    8 o   76.451   10.744  2540.22  648.540   0.0000   0.0000  2540.22  648.540  ?   ?    76.451   10.744 0.000000 10.74416 
1 1 1   23   37    9 o   93.528   11.205  3826.65  833.990   0.0000   0.0000  3826.65  833.990  ?   ?    93.528   11.205 0.000000 11.20509 
1 1 1   23   37   10 o   60.717   11.974  1668.40  569.318   0.0000   0.0000  1668.40  569.318  ?   ?    60.717   11.974 0.000000 11.97355 
1 1 1   23   39    0 o   60.397   28.150 -34.7546  3376.97   0.0000   0.0000 -34.7546  3376.97  ?   ?    60.397   28.150 0.000000 28.15011 
1 1 1   23   39    1 o  157.916   41.376 18613.72  5369.12   0.0000   0.0000 18613.72  5369.12  ?   ?   157.916   41.376 0.000000 41.37590 
1 1 1   23   39    2 o  122.790   39.124 11523.65  4394.99   0.0000   0.0000 11523.65  4394.99  ?   ?   122.790   39.124 0.000000 39.12361 
1 1 1   23   39    3 o   87.536   36.726  6136.35  4405.44   0.0000   0.0000  6136.35  4405.44  ?   ?    87.536   36.726 0.000000 36.72649 
1 1 1   23   39    4 f   54.085   26.001 -1566.9700  3340.09   0.0000   0.0000 -1566.9700  3340.09  ?   ?    54.085   26.001 0.000000 26.00090 
1 1 1   23   39    5 o   73.163   31.657  3428.77  3456.49   0.0000   0.0000  3428.77  3456.49  ?   ?    73.163   31.657 0.000000 31.65689 
1 1 1   23   39    6 o   72.692   33.330  3787.56  4458.03   0.0000   0.0000  3787.56  4458.03  ?   ?    72.692   33.330 0.000000 33.33027 
1 1 1   23   39    7 o   68.943   31.108  3275.56  3693.29   0.0000   0.0000  3275.56  3693.29  ?   ?    68.943   31.108 0.000000 31.10843 
1 1 1   23   41    0 o   75.058   33.939  5891.42  4422.83   0.0000   0.0000  5891.42  4422.83  ?   ?    75.058   33.939 0.000000 33.93896 
1 1 1   23   41    1 o   71.920   33.428  5257.06  4709.60   0.0000   0.0000  5257.06  4709.60  ?   ?    71.920   33.428 0.000000 33.42793 
1 1 1   23   41    2 o   50.725   25.190 -2825.5449  3991.96   0.0000   0.0000 -2825.5449  3991.96  ?   ?    50.725   25.190 0.000000 25.18979 
1 1 1   24    0    0 o  310.116   23.474 39810.23  5833.09   0.0000   0.0000 39810.23  5833.09  310.116   23.474  310.116   23.474 0.000000 0.000000 
1 1 1   24    0    1 o  657.701   32.223 177669.30 17114.05 175800.91 24236.45 179527.41 24169.53  650.134   46.457  657.309   45.796 0.000000 0.000000 
1 1 1   24    0    2 o  992.031   69.578 413028.50 55411.27   0.0000   0.0000 413028.50 55411.27  992.031   69.578  992.031   69.578 0.000000 0.000000 
1 1 1   24    0    4 o  196.626   10.912 15846.84  1729.85 20194.05  2493.59 11813.95  2401.75  221.642   13.983  167.603   18.192 0.000000 0.000000 
1 1 1   24    0    5 o  617.417   30.091 156288.30 15003.81 156187.59 21269.84 156388.00 21167.73  614.043   43.150  614.512   42.904 0.000000 0.000000 
1 1 1   24    0    6 o  284.047   14.671 33038.04  3363.01 35689.27  4802.52 30487.08  4710.83  294.229   20.325  271.275   21.707 0.000000 0.000000 
1 1 1   24    0    7 o  825.871   39.906 280273.69 26617.64 283076.91 37689.08 277484.19 37597.14  824.940   56.888  816.471   57.362 0.000000 0.000000 
1 1 1   24    0    8 o   85.489   11.358  3122.04  749.507   0.0000   0.0000  3122.04  749.507   85.489   11.358   85.489   11.358 0.000000 0.000000 
1 1 1   24    0    9 o  788.029   38.095 256187.30 24245.29 268302.91 34335.43 244138.30 34240.80  800.589   53.364  761.984   56.039 0.000000 0.000000 
1 1 1   24    0   10 o  1044.29   50.220 455698.69 42358.66 513122.69 59954.10 398465.50 59854.39  1096.03   67.968  956.334   78.288 0.000000 0.000000 
1 1 1   24    0   11 o  387.629   19.051 61674.55  5962.99 74841.40  8492.47 48870.51  8374.66  425.859   24.751  341.213   30.805 0.000000 0.000000 
1 1 1   24    0   12 o  629.803   45.197 167396.20 22839.42 167396.20 22839.42   0.0000   0.0000  629.803   45.197  629.803   45.197 0.000000 0.000000 
1 1 1   24    0   13 o  107.667   10.132  4836.67  867.771  3152.93  1258.48  6362.88  1198.17   80.022   22.383  123.275   12.248 0.000000 0.000000 
1 1 1   24    0   14 o  116.564   10.591  5661.44  983.357  5679.32  1468.65  5646.91  1323.94  114.487   16.875  114.961   14.869 0.000000 0.000000 
1 1 1   24    0   15 o  350.772   18.503 50700.51  5236.35 49162.60  7494.04 52167.69  7319.68  342.327   27.363  353.424   25.824 0.000000 0.000000 
1 1 1   24    0   16 o   97.891   12.011  4075.83  916.205  4468.71  1415.24  3792.38  1202.11   99.161   19.806   91.399   18.251 0.000000 0.000000 
1 1 1   24    0   17 o  172.298   12.112 12292.59  1675.26 11273.91  2536.80 13080.41  2230.91  161.938   20.132  176.632   15.849 0.000000 0.000000 
1 1 1   24    0   18 o   37.670   19.464  859.324  765.245  153.611  1172.65  1382.77  1009.93   32.200   20.479   47.587   22.756 0.000000 0.000000 
1 1 1   24    0   19 o   31.239   21.445 -1102.4240  1758.12 -1102.4240  1758.12   0.0000   0.0000   31.239   21.445   31.239   21.445 0.000000 0.000000 
1 1 1   24    0   20 o   61.479   29.100  2397.31  1647.17  2397.31  1647.17   0.0000   0.0000   61.479   29.100   61.479   29.100 0.000000 0.000000 
1 1 1   24    0   21 o   37.756   20.605  864.543  897.950   0.0000   0.0000  864.543  897.950   37.756   20.605   37.756   20.605 0.000000 0.000000 
1 1 1   24    0   22 o   96.573   19.133  4361.00  1333.24   0.0000   0.0000  4361.00  1333.24   96.573   19.133   96.573   19.133 0.000000 0.000000 
1 1 1   24    0   23 o   23.815   15.967 -252.6615  864.513 -1997.9170  1625.34  435.904  1020.91   25.431   18.099   32.292   19.910 0.000000 0.000000 
1 1 1   24    0   24 o   38.919   21.432  1006.40  981.420  3445.33  2012.87  245.786  1124.09   68.368   32.190   30.931   19.820 0.000000 0.000000 
1 1 1   24    0   25 o   35.610   20.571  846.974  962.489   0.0000   0.0000  846.974  962.489   35.610   20.571   35.610   20.571 0.000000 0.000000 
1 1 1   24    2    0 o  760.080   36.781 237365.41 22699.49 229908.70 32092.52 244831.00 32111.34  741.306   53.681  765.801   51.949 -24.49481 74.70180 
1 1 1   24    2    1 o  774.974   26.376 245225.70 16597.06 248262.80 23459.94 242182.41 23483.66  777.580   37.157  767.880   37.665 9.699829 52.90832 
1 1 1   24    2    2 o  1113.87   53.610 514575.69 48485.66 556883.50 68595.80 472333.69 68542.39  1145.68   74.136  1050.40   80.990 95.28638 109.7976 
1 1 1   24    2    3 o  484.577   16.103 95497.73  6335.73 92099.43  8949.89 98911.56  8970.31  475.433   23.184  492.759   22.420 -17.32669 32.25145 
1 1 1   24    2    4 o  749.759   25.273 229108.09 15385.45 228687.80 21759.06 229528.30 21757.55  747.605   35.845  748.988   35.776 -1.383667 50.64407 
1 1 1   24    2    5 o  1112.51   37.574 506424.91 33941.58 504946.50 48008.79 507902.31 47992.50  1106.48   53.436  1109.78   53.260 -3.291016 75.44580 
1 1 1   24    2    6 o  583.080   19.989 138326.70  9463.46 137049.50 13391.67 139600.80 13375.07  579.739   28.449  585.137   28.151 -5.397949 40.02296 
1 1 1   24    2    7 o  942.045   36.766 363212.81 28122.71 358262.81 48686.52 365691.50 34451.45  925.538   65.202  943.371   44.977 -17.83331 79.20981 
1 1 1   24    2    8 o  252.855   10.927 25981.20  2243.37 26016.40  2761.69 25912.91  3846.56  252.604   13.514  251.577   18.970 1.027451 23.29129 
1 1 1   24    2    9 o  492.299   16.611 98708.12  6639.93 102188.40  9404.56 95248.93  9376.06  500.152   23.158  482.771   23.919 17.38034 33.29263 
1 1 1   24    2   10 o  323.940   11.406 42690.66  3000.15 44490.30  4257.35 40915.34  4228.49  330.378   15.870  316.348   16.519 14.02969 22.90759 
1 1 1   24    2   11 o  290.910   12.259 34453.15  2895.62 32493.44  3546.60 38371.23  5014.80  281.854   15.557  305.609   20.325 -23.75510 25.59569 
1 1 1   24    2   12 o  111.574   7.8240  5085.22  704.328  4179.21  1319.62  5446.13  832.880   99.811   16.885  115.378   8.9607 -15.56789 19.11557 
1 1 1   24    2   13 o  730.154   25.082 219730.20 14870.34 223480.50 21045.39 215990.91 21014.30  730.914   35.461  717.302   36.198 13.61218 50.67297 
1 1 1   24    2   14 o  100.903   7.2315  4160.81  588.547  3877.93  832.565  4443.37  832.097   96.986   10.753  103.997   9.9765 -7.010605 14.66848 
1 1 1   24    2   15 o  203.294   8.6832 16820.81  1433.31 17858.55  2048.51 15825.53  2006.17  208.875   12.131  196.513   12.640 12.36226 17.51931 
1 1 1   24    2   16 f  185.564   8.5186 14022.39  1283.51 13495.14  1829.45 14533.48  1801.19  181.300   12.504  188.282   11.842 -6.981796 17.22166 
1 1 1   24    2   17 o  167.977   9.9437 11564.12  1350.19 11071.21  2522.36 11762.08  1598.49  162.168   19.550  169.109   11.714 -6.941422 22.79066 
1 1 1   24    2   18 o  128.607   10.670  6827.73  1104.11 12310.33  2422.79  5390.64  1240.41  170.932   17.713  113.499   13.740 57.43350 22.41741 
1 1 1   24    2   19 o   69.908   11.519  2065.11  631.085  2360.52  866.525  1731.44  920.935   74.052   14.927   63.196   17.397 10.85655 22.92325 
1 1 1   24    2   20 o   43.649   14.218  773.693  578.213  372.453  741.499  1396.21  923.601   39.294   15.590   57.304   17.893 -18.01010 23.73252 
1 1 1   24    2   21 o   43.347   16.412  608.698  792.888  476.521  909.317  1027.98  1619.54   43.346   17.244   58.310   23.071 -14.96458 28.80279 
1 1 1   24    2   22 f  130.061   11.563  7134.76  1208.38  6944.48  1420.39  7633.31  2299.12  127.221   13.981  128.075   22.952 -0.8538208 26.87445 
1 1 1   24    2   23 o   31.904   13.835 -25.2332  663.071  446.787  948.451 -476.4866  927.353   42.748   17.397   33.447   15.286 9.300888 23.15867 
1 1 1   24    2   24 f   82.785   12.421  3020.48  809.163  3204.22  1138.89  2833.19  1149.85   82.296   17.578   76.595   18.660 5.700684 25.63567 
1 1 1   24    2   25 o   58.370   16.020  1657.53  782.252  1064.64  962.825  2808.85  1341.71   48.600   18.151   71.981   21.391 -23.38069 28.05440 
1 1 1   24    4    0 o  156.083   14.592  9993.67  1827.83   0.0000   0.0000  9993.67  1827.83  ?   ?   156.083   14.592 0.000000 14.59187 
1 1 1   24    4    1 o  750.267   36.198 230805.00 22051.31 243095.20 31207.38 218549.59 31163.19  764.845   50.536  724.061   53.383 40.78448 73.50932 
1 1 1   24    4    2 o  485.103   16.478 95719.28  6490.48 96565.59  9166.85 94868.49  9191.06  486.791   23.192  482.474   23.461 4.317627 32.98951 
1 1 1   24    4    3 o  982.279   36.695 395100.50 29267.52 369713.81 35836.01 445952.31 50718.98  947.727   46.569  1034.30   60.658 -86.57239 76.47286 
1 1 1   24    4    4 o  1395.67   67.577 811977.62 76580.93 825389.12 108344.20 798587.12 108259.40  1385.39   96.926  1361.29   98.612 24.09314 138.2716 
1 1 1   24    4    5 o  1014.95   34.256 420892.31 28230.26 413751.19 39941.13 428020.91 39906.12  1002.95   49.046  1020.34   48.168 -17.38348 68.74320 
1 1 1   24    4    6 o  608.188   20.120 150507.80  9935.84 162873.00 14072.99 138218.20 14029.92  632.070   27.421  581.296   29.825 50.77466 40.51488 
1 1 1   24    4    7 o  325.284   11.271 42991.86  2976.78 47770.77  4233.27 38317.50  4186.71  342.773   15.210  306.473   16.890 36.29926 22.72901 
1 1 1   24    4    8 o  567.322   19.317 131092.91  8898.30 131401.70 12606.48 130786.30 12561.84  567.062   27.379  565.737   27.346 1.325012 38.69705 
1 1 1   24    4    9 o  266.584   9.8209 28887.30  2125.81 29682.02  3028.00 28114.90  2985.16  269.709   13.874  262.455   14.059 7.253326 19.75191 
1 1 1   24    4   10 o  171.062   7.3642 11890.69  1022.86 11737.99  1470.90 12033.68  1423.36  169.535   10.741  171.709   10.256 -2.174149 14.85078 
1 1 1   24    4   11 o  646.376   25.418 171694.80 13340.17 164146.00 16349.72 186729.41 23073.67  628.973   32.121  665.441   42.933 -36.46814 53.61915 
1 1 1   24    4   12 o  717.794   28.291 212771.09 16488.73 227109.30 28677.53 205690.20 20153.07  728.160   48.786  701.532   35.495 26.62787 60.33234 
1 1 1   24    4   13 o  255.880   9.7339 26644.20  2022.37 26382.24  2886.51 26896.78  2834.33  253.913   14.055  256.440   13.661 -2.526443 19.60075 
1 1 1   24    4   14 o  387.455   14.069 61296.52  4426.00 60027.54  6282.27 62547.12  6236.60  381.716   20.343  389.822   19.768 -8.106445 28.36555 
1 1 1   24    4   15 o  134.997   8.9420  7451.27  974.607  8055.55  1790.90  7197.02  1161.69  139.337   16.128  132.432   10.900 6.905060 19.46574 
1 1 1   24    4   16 o  230.742   11.206 21735.16  2099.51 20092.17  3816.28 22448.25  2514.18  219.184   21.730  233.865   13.295 -14.68137 25.47431 
1 1 1   24    4   17 o   42.091   13.352  715.412  512.341  556.037  653.221  970.184  825.896   40.948   15.013   50.180   17.010 -9.232292 22.68771 
1 1 1   24    4   18 o  123.054   9.5318  6235.23  944.939  6449.25  1202.36  5889.52  1528.16  124.653   12.029  117.947   16.401 6.706123 20.33890 
1 1 1   24    4   19 o  129.678   8.6977  6918.93  910.518  6773.56  1337.11  7044.63  1243.33  127.231   13.132  130.116   11.900 -2.885162 17.72176 
1 1 1   24    4   20 o   77.751   10.663  2540.08  655.460  4027.85  1004.86  1438.28  864.755   97.580   13.007   57.744   17.176 39.83564 21.54495 
1 1 1   24    4   21 o   61.888   12.952  1659.92  629.965  1809.08  789.985  1399.40  1044.03   64.115   15.374   57.602   19.121 6.513603 24.53522 
1 1 1   24    4   22 o   97.173   10.455  3976.78  811.934  4136.78  1070.94  3760.50  1245.15   97.852   13.867   91.711   17.357 6.140846 22.21583 
1 1 1   24    4   23 o   40.607   15.503  554.126  711.194  641.790  795.252  203.967  1589.38   43.068   16.405   49.121   21.360 -6.052940 26.93304 
1 1 1   24    4   24 o   50.250   16.278  1149.69  758.466  1234.27  804.669  475.998  2271.00   51.832   16.764   55.614   24.797 -3.782658 29.93236 
1 1 1   24    6    0 o  990.190   69.600 413575.59 55602.73   0.0000   0.0000 413575.59 55602.73  ?   ?   990.190   69.600 0.000000 69.59982 
1 1 1   24    6    1 o  1171.80   56.709 569670.88 53956.64 576566.38 76331.60 562784.62 76280.86  1163.34   81.320  1148.62   82.336 14.72021 115.7249 
1 1 1   24    6    2 o  1071.27   51.623 473866.91 44903.34 487054.81 63525.02 460697.31 63480.84  1074.76   73.230  1044.00   75.394 30.76331 105.1043 
1 1 1   24    6    3 f  989.354   37.299 400695.50 29963.04 445068.31 52000.90 378641.09 36660.69  1033.36   62.267  959.398   47.061 73.95850 78.05064 
1 1 1   24    6    5 o  1525.25   73.194 972257.31 90646.74   0.0000   0.0000 972257.31 90646.74  ?   ?   1525.25   73.194 0.000000 73.19365 
1 1 1   24    6    6 o  625.235   20.842 159115.50 10581.05 170270.59 14983.81 148019.59 14944.00  646.052   28.564  601.366   30.707 44.68640 41.93832 
1 1 1   24    6    7 o  646.713   21.796 170385.91 11445.51 185013.59 16210.67 155845.59 16162.21  672.911   29.669  616.384   32.407 56.52753 43.93712 
1 1 1   24    6    8 o  131.081   6.3132  6978.60  671.941  8235.22  965.697  5799.21  935.555  142.124   8.4057  119.060   9.7635 23.06404 12.88334 
1 1 1   24    6    9 o  355.842   14.160 51555.86  4091.20 54692.00  5026.91 45403.34  7040.92  366.281   16.902  331.745   26.356 34.53589 31.31027 
1 1 1   24    6   10 o  712.915   27.491 209095.91 15913.43 203861.30 19507.93 219507.41 27512.08  701.385   34.254  719.824   47.336 -18.43909 58.42963 
1 1 1   24    6   11 o  451.394   15.485 83113.52  5675.37 81645.07  8052.32 84563.05  8000.30  446.275   22.222  454.284   21.689 -8.008911 31.05196 
1 1 1   24    6   12 o  298.698   10.966 36319.76  2659.51 36302.62  3792.21 36336.35  3730.78  297.793   15.739  297.973   15.473 -0.1800232 22.07137 
1 1 1   24    6   13 o  721.525   28.669 215864.70 16795.74 219766.00 29256.31 213946.91 20512.81  710.632   51.043  714.432   35.361 -3.799866 62.09539 
1 1 1   24    6   14 o  380.545   15.854 59240.07  4898.87 59672.52  8670.57 59037.29  5937.38  377.776   28.476  378.710   19.373 -0.9335632 34.44142 
1 1 1   24    6   15 o  287.209   12.771 33686.63  2978.20 34617.49  3679.55 31918.44  5071.28  290.310   15.668  276.933   22.754 13.37735 27.62661 
1 1 1   24    6   16 o  201.188   10.181 16555.79  1657.81 16279.89  2059.19 17064.02  2794.83  199.069   12.807  202.909   17.124 -3.839478 21.38333 
1 1 1   24    6   17 o  132.695   7.9278  7205.58  850.266  7172.83  1191.74  7239.54  1213.47  131.868   11.237  132.456   11.394 -0.5876617 16.00307 
1 1 1   24    6   18 o  140.529   8.2658  8098.67  939.011  6864.24  1331.30  9320.79  1324.65  128.358   12.951  150.258   10.932 -21.90010 16.94808 
1 1 1   24    6   19 o  249.549   10.253 25615.23  2077.51 29202.52  2991.38 22272.83  2887.47  264.642   13.971  230.297   15.532 34.34506 20.89095 
1 1 1   24    6   20 o  144.724   9.0699  8645.50  1060.42  9751.56  1495.40  7526.74  1503.97  152.771   12.156  133.423   14.096 19.34801 18.61344 
1 1 1   24    6   21 o  128.776   9.2594  6880.03  961.720  6594.54  1350.01  7174.19  1370.38  124.548   13.569  130.132   13.150 -5.584633 18.89527 
1 1 1   24    6   22 o  156.177   9.9227 10188.50  1251.77 10528.51  1756.30  9837.44  1784.59  156.671   13.952  150.936   14.750 5.734543 20.30331 
1 1 1   24    6   23 o   43.737   14.694  804.126  616.278  261.866  747.679  1953.24  1088.41   37.041   15.301   64.484   19.290 -27.44308 24.62171 
1 1 1   24    6   24 o   45.817   15.402  928.394  677.103  1388.64  924.756  396.494  994.140   54.389   17.993   41.797   17.486 12.59158 25.08994 
1 1 1   24    8    0 o  532.128   37.553 116553.90 16121.21   0.0000   0.0000 116553.90 16121.21  ?   ?   532.128   37.553 0.000000 37.55257 
1 1 1   24    8    1 o  918.601   44.257 346713.59 33010.14 352834.19 46713.25 340608.81 46653.59  919.087   62.975  902.509   64.081 16.57800 89.84570 
1 1 1   24    8    2 o  713.576   27.499 207640.30 15933.17 229771.59 27704.45 196702.70 19476.44  746.337   45.940  693.638   34.581 52.69965 57.50074 
1 1 1   24    8    3 o  691.440   32.686 195257.70 18351.02   0.0000   0.0000 195257.70 18351.02  ?   ?   691.440   32.686 0.000000 32.68643 
1 1 1   24    8    4 o  1247.38   58.483 643711.88 59233.36   0.0000   0.0000 643711.88 59233.36  ?   ?   1247.38   58.483 0.000000 58.48293 
1 1 1   24    8    5 o  257.667   8.6604 26966.12  1811.90 25590.93  2558.86 28348.98  2565.98  250.632   12.614  264.138   11.964 -13.50574 17.38571 
1 1 1   24    8    6 o  1311.85   42.293 707312.50 45049.64 750053.62 63717.63 664592.38 63702.00  1343.48   58.410  1262.72   62.131 80.76245 85.27608 
1 1 1   24    8    7 o  534.619   18.316 116398.20  7950.84 126203.90 11259.27 106644.90 11229.16  555.945   24.942  510.065   27.212 45.88055 36.91344 
1 1 1   24    8    8 o  507.456   17.636 104962.30  7266.60 112049.00 10296.48 97930.38 10256.67  523.385   24.229  488.361   25.959 35.02441 35.50920 
1 1 1   24    8    9 o  649.002   25.220 172801.70 13290.03 181145.20 16300.11 156256.41 22953.75  662.963   30.281  607.830   46.870 55.13300 55.80096 
1 1 1   24    8   10 o  387.765   15.906 61333.29  5008.08 62751.70  8843.29 60663.62  6076.38  389.299   28.167  384.700   19.517 4.599152 34.26752 
1 1 1   24    8   11 o  175.577   9.3007 12573.06  1321.21 10179.35  2441.30 13564.53  1571.18  156.517   19.642  182.261   10.663 -25.74405 22.35015 
1 1 1   24    8   12 o  459.462   23.255 87027.03  8647.47 86664.05 12370.53 87373.90 12092.92  454.723   33.745  456.980   32.809 -2.256714 47.06574 
1 1 1   24    8   13 o  116.970   8.5598  5595.60  807.326  6792.37  1025.87  3648.58  1308.49  128.797   9.8849   92.836   18.008 35.96109 20.54292 
1 1 1   24    8   14 o  327.690   14.115 43874.77  3755.58 44822.62  4633.71 42060.04  6411.59  330.234   17.342  317.745   25.055 12.48868 30.47071 
1 1 1   24    8   15 o   72.620   8.5118  2176.33  492.380  3762.98  666.845  274.335  730.109   95.744   8.6719   38.207   15.365 57.53667 17.64338 
1 1 1   24    8   16 o  173.087   8.5200 12210.58  1197.41 13057.32  1708.03 11392.26  1679.12  178.277   11.867  166.353   12.523 11.92412 17.25279 
1 1 1   24    8   17 o   88.648   8.8088  3241.00  625.649  2721.41  874.353  3786.20  895.633   80.154   13.941   95.342   11.823 -15.18773 18.27920 
1 1 1   24    8   18 o  106.391   8.5557  4660.17  732.843  4137.68  1033.25  5189.08  1039.57   99.234   13.147  111.679   11.635 -12.44539 17.55634 
1 1 1   24    8   19 o   66.363   10.747  1859.62  559.276  1812.93  827.073  1898.95  759.155   64.505   15.894   66.243   14.515 -1.738121 21.52474 
1 1 1   24    8   20 f  173.785   9.1488 12465.03  1286.42 11702.97  1809.79 13243.26  1828.90  166.782   13.479  177.797   12.753 -11.01483 18.55631 
1 1 1   24    8   21 o   75.512   10.899  2417.53  648.883  2403.10  823.392  2441.19  1054.07   74.279   14.169   73.749   17.805 0.5299377 22.75463 
1 1 1   24    8   22 o   31.006   13.116   70.188  569.379 -226.9465  708.500  612.031  956.753   30.937   13.818   45.153   17.774 -14.21659 22.51369 
1 1 1   24    8   23 o  127.421   10.762  6914.87  1102.99  7803.71  1526.70  5944.38  1595.28  133.086   14.355  113.594   17.887 19.49134 22.93545 
1 1 1   24    8   24 o   61.891   13.864  1762.86  679.427  1869.01  806.562  1503.50  1260.78   62.798   15.824   56.413   20.830 6.385712 26.15887 
1 1 1   24   10    0 o  364.499   18.847 54194.14  5558.77   0.0000   0.0000 54194.14  5558.77  ?   ?   364.499   18.847 0.000000 18.84654 
1 1 1   24   10    1 o  1052.83   50.910 456707.50 43521.18   0.0000   0.0000 456707.50 43521.18  ?   ?   1052.83   50.910 0.000000 50.91029 
1 1 1   24   10    2 o  1366.12   66.002 776440.81 73212.38 819010.19 103569.10 733922.81 103506.80  1384.29   92.679  1306.03   98.328 78.26050 135.1209 
1 1 1   24   10    3 o  859.164   32.866 301558.59 22928.02 339714.19 39844.79 282669.91 28034.55  905.449   54.449  829.217   41.772 76.23175 68.62664 
1 1 1   24   10    4 o  1250.65   48.318 644194.31 49066.11 706671.62 85121.58 613105.81 60045.35  1290.67   81.645  1213.48   61.137 77.19360 101.9983 
1 1 1   24   10    5 o  326.431   13.629 43318.32  3612.51 47702.48  6399.83 41268.19  4376.39  341.338   23.229  318.044   17.009 23.29413 28.79048 
1 1 1   24   10    6 o  489.178   16.684 97400.70  6626.67 111483.80  9369.24 83303.88  9373.80  522.845   22.070  450.878   25.711 71.96652 33.88401 
1 1 1   24   10    7 o  244.298   10.216 24261.06  2026.51 35842.95  3656.38 19125.86  2434.67  296.315   15.249  216.342   13.934 79.97235 20.65626 
1 1 1   24   10    8 o  435.789   22.247 77906.07  7845.66 74685.27 11232.79 80974.02 10963.00  424.065   32.880  442.272   30.719 -18.20734 44.99675 
1 1 1   24   10    9 o  535.263   26.242 117779.40 11405.31 123462.30 16248.27 112259.60 16013.39  543.526   37.038  517.624   38.374 25.90204 53.33237 
1 1 1   24   10   10 o  407.787   15.646 67844.84  5180.59 66861.77  6350.12 69801.30  8958.35  404.296   19.344  410.782   27.009 -6.485870 33.22144 
1 1 1   24   10   11 o  460.217   17.701 86598.99  6614.62 82392.76  8111.94 94945.16 11426.73  447.972   22.302  478.005   29.586 -30.03299 37.05010 
1 1 1   24   10   12 o  585.498   23.918 141240.30 11370.86 132177.59 19934.36 145611.20 13844.00  554.925   44.619  592.554   28.774 -37.62946 53.09190 
1 1 1   24   10   13 o  358.558   12.515 52439.59  3643.64 51960.94  5181.58 52907.79  5124.67  355.590   18.005  359.344   17.564 -3.753998 25.15284 
1 1 1   24   10   14 o  417.012   14.884 71147.92  5039.65 70053.20  7161.52 72221.88  7093.25  411.537   21.506  418.593   20.870 -7.055573 29.96781 
1 1 1   24   10   15 o  203.542   9.0161 16880.55  1490.09 17863.05  2128.74 15936.66  2086.49  208.646   12.625  196.945   13.123 11.70073 18.20969 
1 1 1   24   10   16 o  109.389   7.6700  4899.88  676.945  5932.57  939.187  3783.27  976.597  120.138   9.7110   95.176   12.975 24.96177 16.20687 
1 1 1   24   10   17 o   72.870   8.5297  2198.96  495.140  2083.56  671.397  2336.56  733.137   70.192   12.224   74.351   12.593 -4.159370 17.55088 
1 1 1   24   10   18 o  144.840   8.4805  8616.55  993.000 11073.21  1417.56  6249.62  1391.43  163.728   10.722  121.852   14.338 41.87569 17.90354 
1 1 1   24   10   19 o  196.218   9.1082 15818.72  1451.14 16863.71  2071.65 14812.04  2033.32  201.077   12.755  188.140   13.398 12.93739 18.49816 
1 1 1   24   10   20 o   27.737   11.180  150.144  387.505  356.822  424.888 -871.7867  944.795   32.733   12.091   31.497   14.749 1.235237 19.07140 
1 1 1   24   10   21 o   43.615   12.479  820.189  464.273  1031.48  530.226  125.811  961.203   48.627   13.124   39.966   16.981 8.661335 21.46141 
1 1 1   24   10   22 o   38.734   14.051  556.333  569.955  951.272  690.296 -289.6130  1010.28   47.255   15.542   36.667   16.430 10.58757 22.61626 
1 1 1   24   10   23 o   91.732   10.796  3619.25  788.752  3738.85  971.227  3387.55  1351.78   91.922   13.407   83.298   20.195 8.623695 24.24065 
1 1 1   24   10   24 o   76.705   11.955  2626.02  720.316  2007.18  845.497  4264.15  1375.61   64.563   16.165   92.569   18.940 -28.00626 24.90041 
1 1 1   24   12    0 o  1376.61   66.844 790668.62 74715.13   0.0000   0.0000 790668.62 74715.13  ?   ?   1376.61   66.844 0.000000 66.84357 
1 1 1   24   12    1 o  528.184   21.329 113583.30  9147.15 117190.90 15883.98 111793.30 11188.63  533.761   36.876  522.948   26.436 10.81384 45.37289 
1 1 1   24   12    2 o  1115.49   43.902 511521.81 39763.68 566214.81 68845.45 484142.81 48710.00  1158.61   73.563  1079.79   55.748 78.82397 92.29989 
1 1 1   24   12    3 o  792.619   29.254 256608.41 18827.56 287568.50 32794.17 241386.59 22994.76  833.280   48.681  767.380   36.905 65.89978 61.08845 
1 1 1   24   12    4 o  397.355   15.380 64226.93  4962.22 76499.44  8765.81 58439.52  6019.59  432.240   25.084  378.288   19.666 53.95255 31.87399 
1 1 1   24   12    5 o  658.295   24.378 177017.91 13030.46 214448.09 22747.95 158738.30 15896.97  720.106   39.051  621.306   31.616 98.80035 50.24506 
1 1 1   24   12    6 o  552.269   27.366 125044.50 12271.79 124067.60 17438.50 126003.00 17272.54  545.858   39.615  550.362   38.902 -4.504089 55.52241 
1 1 1   24   12    7 o  462.223   33.772 88783.32 12587.24 88783.32 12587.24   0.0000   0.0000  462.223   33.772  ?   ?  0.000000 33.77207 
1 1 1   24   12    8 o  295.384   16.372 35704.25  3911.35 31896.72  5632.84 39249.55  5435.42  277.573   25.269  308.837   21.816 -31.26395 33.38352 
1 1 1   24   12    9 o  505.229   19.555 104423.30  8021.91 102428.40  9818.44 108428.80 13912.38  499.369   24.215  509.955   33.791 -10.58640 41.57140 
1 1 1   24   12   10 o  322.091   11.714 42246.32  3063.45 41551.38  4340.31 42936.21  4324.47  318.478   16.844  323.813   16.502 -5.335297 23.58073 
1 1 1   24   12   11 o  696.117   24.160 199611.20 13656.09 196732.41 19332.09 202478.50 19293.22  684.943   34.876  696.115   34.134 -11.17255 48.80009 
1 1 1   24   12   12 o   77.601   9.7926  2490.12  603.286  1794.69  1344.42  2665.46  675.068   67.012   21.669   80.204   10.628 -13.19234 24.13487 
1 1 1   24   12   13 o  147.139   7.7736  8831.44  925.434  9306.40  1303.26  8348.37  1314.34  150.742   10.718  142.638   11.445 8.104065 15.67952 
1 1 1   24   12   14 o  182.287   8.4436 13528.50  1249.74 14151.55  1758.07 12892.05  1776.87  185.832   11.711  177.228   12.426 8.603790 17.07533 
1 1 1   24   12   15 o  186.669   8.8101 14205.48  1335.34 13703.48  1880.71 14715.83  1896.28  182.491   12.773  189.212   12.412 -6.720749 17.81000 
1 1 1   24   12   16 o  134.816   8.1397  7443.13  886.846  8773.18  1233.49  6019.90  1275.96  146.021   10.473  120.253   13.290 25.76819 16.92072 
1 1 1   24   12   17 o  244.934   10.500 24632.26  2088.17 26677.42  3001.69 22714.32  2906.83  253.158   14.666  233.219   15.438 19.93900 21.29320 
1 1 1   24   12   18 o  229.198   9.9096 21596.49  1844.19 24131.60  2655.43 19234.46  2563.18  240.577   13.650  214.186   14.830 26.39088 20.15547 
1 1 1   24   12   19 o  215.150   10.675 19133.59  1864.83 22309.74  2666.45 16092.75  2609.03  230.284   14.331  194.206   16.708 36.07738 22.01249 
1 1 1   24   12   20 o  107.119   8.6228  4756.20  743.636  4212.29  941.468  5658.43  1212.56   99.842   11.844  115.419   13.175 -15.57724 17.71605 
1 1 1   24   12   21 o   68.093   10.181  1970.37  545.598  2481.95  617.545  150.632  1164.72   76.575   10.185   43.485   18.589 33.09069 21.19628 
1 1 1   24   12   22 o   33.296   13.112  304.105  520.865  249.297  601.330  468.780  1042.32   34.072   13.858   44.224   18.145 -10.15176 22.83130 
1 1 1   24   12   23 o   55.758   12.425  1396.90  548.154  1677.17  620.306  397.985  1171.06   61.009   12.924   44.272   18.774 16.73782 22.79192 
1 1 1   24   14    0 o  602.690   29.675 148552.91 14522.01   0.0000   0.0000 148552.91 14522.01  ?   ?   602.690   29.675 0.000000 29.67522 
1 1 1   24   14    1 o  518.128   20.972 109407.60  8823.08 109530.50 15340.19 109346.90 10785.63  515.081   36.924  517.492   25.669 -2.410950 44.96953 
1 1 1   24   14    2 o  617.623   24.609 155764.50 12340.96 159125.59 21372.19 154083.20 15115.59  619.259   42.767  613.360   30.351 5.899109 52.44219 
1 1 1   24   14    3 o  544.295   26.808 121217.90 11847.98 129377.50 16824.43 113190.50 16687.55  559.109   37.274  522.135   39.658 36.97491 54.42488 
1 1 1   24   14    4 o  272.409   15.344 30312.53  3380.15 29617.68  4838.15 30975.09  4724.38  268.320   22.412  274.603   21.357 -6.282837 30.95814 
1 1 1   24   14    5 o  693.665   49.923 203633.80 27930.34 203633.80 27930.34   0.0000   0.0000  693.665   49.923  ?   ?  0.000000 49.92317 
1 1 1   24   14    6 o  117.513   10.746  5664.33  1013.96  4624.28  1519.94  6498.33  1361.08  104.886   18.525  125.591   13.562 -20.70516 22.95867 
1 1 1   24   14    7 f  477.121   18.428 93012.09  7139.23 104360.80 12603.97 87650.91  8662.94  501.537   31.104  462.330   23.077 39.20694 38.72960 
1 1 1   24   14    8 o  508.275   21.439 105867.60  8847.80 93268.38 15566.31 111880.70 10753.85  469.604   41.242  521.534   25.395 -51.92966 48.43318 
1 1 1   24   14    9 o  668.240   26.852 184218.30 14569.73 179799.20 25487.01 186363.41 17757.24  646.844   48.888  669.572   32.662 -22.72742 58.79453 
1 1 1   24   14   10 o  617.691   25.449 157406.41 12763.68 147592.30 22377.82 162138.70 15539.19  585.063   47.517  624.677   30.636 -39.61328 56.53672 
1 1 1   24   14   11 o  537.748   22.116 119017.70  9656.63 115426.20 17019.59 120722.90 11726.98  519.882   40.642  539.890   26.751 -20.00751 48.65586 
1 1 1   24   14   12 o  262.612   10.897 28105.49  2323.65 29367.54  3291.62 26851.82  3280.67  267.539   15.215  255.663   15.882 11.87593 21.99430 
1 1 1   24   14   13 o  191.804   8.0367 14971.92  1251.63 13657.17  1759.53 16318.64  1780.79  182.539   11.937  199.731   11.023 -17.19264 16.24841 
1 1 1   24   14   14 o  280.057   11.162 32033.15  2538.30 31493.45  3602.69 32565.13  3576.84  276.341   16.126  281.124   15.733 -4.782959 22.52961 
1 1 1   24   14   15 o  179.275   8.9153 13118.60  1297.76 14445.18  1839.24 11803.32  1831.40  187.306   12.159  168.955   13.461 18.35149 18.13988 
1 1 1   24   14   16 o   71.523   7.6659  2111.69  438.253  2359.03  545.124  1659.67  736.937   75.407   9.0862   62.093   14.822 13.31393 17.38541 
1 1 1   24   14   17 o  106.111   8.0246  4631.33  686.276  4750.54  900.897  4466.52  1059.32  106.988   10.506  103.124   12.936 3.863838 16.66459 
1 1 1   24   14   18 o  226.134   9.8928 21054.67  1816.45 20699.76  2571.36 21408.21  2566.36  222.103   14.335  226.027   14.053 -3.924683 20.07439 
1 1 1   24   14   19 o  117.147   8.6335  5674.67  815.428  5901.43  1029.10  5292.11  1336.69  118.886   10.778  111.003   15.232 7.882881 18.65955 
1 1 1   24   14   20 o  154.502   9.1516  9904.29  1142.96  9582.59  1513.96 10330.64  1742.88  150.576   12.496  155.647   13.938 -5.070969 18.71954 
1 1 1   24   14   21 o   71.281   10.337  2165.35  580.853  2042.28  698.756  2440.58  1044.94   68.273   13.081   72.966   17.797 -4.692886 22.08691 
1 1 1   24   14   22 o   45.092   12.049  901.723  449.557  1063.69  492.457   91.745  1101.28   48.853   12.395   41.017   17.808 7.835102 21.69728 
1 1 1   24   14   23 o   49.671   11.897  1114.59  473.480  1369.72  514.290 -304.3214  1212.83   55.188   11.832   38.676   17.600 16.51171 21.20764 
1 1 1   24   16    0 o  259.609   21.656 27725.99  4523.26   0.0000   0.0000 27725.99  4523.26  ?   ?   259.609   21.656 0.000000 21.65583 
1 1 1   24   16    1 o  439.836   32.831 80164.61 11640.65 80164.61 11640.65   0.0000   0.0000  439.836   32.831  ?   ?  0.000000 32.83143 
1 1 1   24   16    2 o  573.903   41.656 137887.00 19279.15 137887.00 19279.15   0.0000   0.0000  573.903   41.656  ?   ?  0.000000 41.65630 
1 1 1   24   16    3 o  519.226   26.807 111030.60 11262.91 114978.10 15800.97 106953.30 16058.48  524.955   37.313  505.414   39.443 19.54019 54.29573 
1 1 1   24   16    4 o  305.668   16.742 38234.63  4139.49 41382.07  5948.50 35279.30  5764.11  316.905   23.280  292.225   24.519 24.68079 33.81091 
1 1 1   24   16    5 o  437.224   16.279 77998.95  5779.23 88435.77 10286.63 73185.26  6986.00  462.639   27.508  422.925   20.344 39.71411 34.21301 
1 1 1   24   16    6 o  578.683   21.767 137241.59 10227.68 149056.70 18009.14 131616.70 12426.00  596.585   37.366  565.251   27.074 31.33368 46.14358 
1 1 1   24   16    7 o  861.174   42.818 312909.19 29940.45 317629.09 42490.95 308254.91 42194.98  848.439   62.111  835.164   62.680 13.27509 88.24136 
1 1 1   24   16    8 o  201.020   10.343 16489.44  1682.52 16151.69  3249.69 16613.14  1966.63  197.452   20.571  201.589   12.070 -4.137100 23.85120 
1 1 1   24   16    9 o  145.100   9.7366  8606.71  1140.48  4267.96  2319.51  9990.09  1309.74  100.021   27.641  156.309   10.379 -56.28794 29.52496 
1 1 1   24   16   10 f  171.757   9.5853 12045.32  1331.44 13258.10  2678.98 11647.49  1534.36  178.872   18.723  168.702   11.266 10.17006 21.85114 
1 1 1   24   16   11 f  200.408   10.693 16411.77  1733.66 15092.84  3389.97 16878.88  2017.43  190.035   22.400  203.040   12.295 -13.00517 25.55251 
1 1 1   24   16   12 o  253.143   12.734 26237.06  2608.94 18691.17  4896.91 29227.88  3082.91  209.325   29.640  266.935   14.276 -57.61055 32.89837 
1 1 1   24   16   13 o  376.944   16.525 58411.79  5057.62 55376.53  9217.96 59719.06  6049.51  359.771   31.885  379.669   19.691 -19.89758 37.47566 
1 1 1   24   16   14 o   46.424   13.784  897.482  557.298 -3058.7400  1948.47  1249.96  581.594   40.313   19.498   54.124   13.323 -13.81117 23.61546 
1 1 1   24   16   15 o  269.410   12.717 29878.96  2781.89 38203.30  5671.34 27241.48  3192.32  298.876   23.561  255.979   15.431 42.89755 28.16447 
1 1 1   24   16   16 o  268.576   12.920 29822.53  2817.49 38806.89  5821.32 27074.11  3219.73  298.908   24.193  254.386   15.664 44.52228 28.82107 
1 1 1   24   16   17 o   45.906   9.7837  898.810  353.531  894.029  398.862  916.327  763.531   45.665   10.907   48.180   16.355 -2.515709 19.65833 
1 1 1   24   16   18 o  139.702   8.4288  8044.18  951.635  7588.61  1259.20  8650.90  1453.17  134.762   11.621  143.606   12.590 -8.843613 17.13343 
1 1 1   24   16   19 o  147.578   8.8956  9014.87  1060.96  9098.43  1413.09  8906.91  1606.25  147.152   11.929  144.753   13.835 2.399429 18.26775 
1 1 1   24   16   20 o   28.851   11.070  243.718  363.728  295.530  387.237 -144.5469  1060.05   30.493   11.487   39.049   17.200 -8.555454 20.68310 
1 1 1   24   16   21 o   40.731   11.735  722.055  409.279  781.447  436.365  287.697  1180.07   42.283   12.098   44.346   18.828 -2.063416 22.37951 
1 1 1   24   16   22 o  109.053   9.6068  5062.23  841.967  5722.96  1023.60  3679.91  1480.55  115.144   11.085   85.331   21.405 29.81349 24.10550 
1 1 1   24   16   23 o   17.708   8.3461 -315.6232  311.229 -192.4041  317.803 -3202.0481  1538.15   19.446   8.9099   30.602   15.267 -11.15558 17.67714 
1 1 1   24   18    0 o  247.708   14.952 25109.22  2993.30   0.0000   0.0000 25109.22  2993.30  ?   ?   247.708   14.952 0.000000 14.95246 
1 1 1   24   18    1 o  197.906   13.412 16029.50  2142.51   0.0000   0.0000 16029.50  2142.51  ?   ?   197.906   13.412 0.000000 13.41208 
1 1 1   24   18    2 o  349.170   15.535 49733.04  4404.54 45062.47  7660.67 52039.43  5383.30  329.243   28.950  356.322   18.672 -27.07880 34.44892 
1 1 1   24   18    3 o  221.580   11.710 20043.32  2099.35 18722.36  3639.60 20701.93  2569.95  212.732   21.359  224.922   14.144 -12.18965 25.61785 
1 1 1   24   18    4 o  413.043   21.846 70140.96  7300.70 68064.05 10451.09 72120.41 10202.88  403.935   32.130  416.445   30.383 -12.50967 44.22104 
1 1 1   24   18    5 o  332.019   18.292 45214.88  4912.30 45177.03  7081.23 45250.00  6820.19  330.009   26.654  330.544   25.611 -0.5358582 36.96474 
1 1 1   24   18    6 f  416.093   16.828 70750.21  5685.42 71933.77 10217.06 70219.33  6842.71  415.434   30.502  413.904   20.361 1.530396 36.67348 
1 1 1   24   18    7 o  596.665   24.594 146711.91 11915.24 142753.30 21027.36 148584.20 14461.01  576.944   45.249  598.401   29.762 -21.45673 54.15968 
1 1 1   24   18    8 o  507.743   22.263 106070.80  9178.31 92425.94 16311.45 112392.70 11102.79  463.451   43.868  520.646   26.349 -57.19543 51.17316 
1 1 1   24   18    9 o  374.378   15.820 57327.21  4809.15 60018.50  8774.21 56171.53  5749.73  378.842   28.738  369.447   19.234 9.395111 34.58052 
1 1 1   24   18   10 o  447.492   19.894 82365.77  7228.42 70489.13 12952.08 87738.25  8711.23  404.450   39.963  460.157   23.392 -55.70697 46.30553 
1 1 1   24   18   11 o  325.709   14.753 43425.13  3901.76 40585.08  7210.13 44601.24  4639.85  310.054   28.975  329.115   17.425 -19.06082 33.81126 
1 1 1   24   18   12 o  179.053   10.552 13128.10  1527.26 14279.34  3175.02 12781.53  1742.04  184.372   21.619  176.405   12.238 7.967209 24.84235 
1 1 1   24   18   13 o   58.420   14.406  1458.53  679.070  3222.39  2494.58  1317.36  705.722   88.498   29.564   55.670   15.190 32.82820 33.23824 
1 1 1   24   18   14 o  132.426   10.970  7239.18  1168.98  3784.89  2877.47  7921.96  1279.30   94.295   31.751  138.465   11.482 -44.16972 33.76347 
1 1 1   24   18   15 o  127.639   10.973  6746.33  1126.16  7072.47  3372.74  6705.41  1194.72  122.784   33.084  127.076   11.711 -4.292549 35.09572 
1 1 1   24   18   16 o   70.819   13.333  2146.90  738.568  452.133  3130.64  2246.78  760.021   70.352   30.284   72.471   13.410 -2.118866 33.12059 
1 1 1   24   18   17 o  193.041   12.204 15539.26  1903.05 21963.75  4804.56 14343.76  2072.57  218.730   27.671  184.702   13.922 34.02847 30.97626 
1 1 1   24   18   18 o   97.919   13.915  4106.64  1075.24  5716.76  3382.72  3925.67  1134.06  105.770   34.386   95.243   15.174 10.52681 37.58494 
1 1 1   24   18   19 f   57.158   17.901  1434.44  923.599 -5851.5649  4112.30  1821.49  947.814   55.028   26.988   63.628   17.700 -8.600124 32.27441 
1 1 1   24   18   20 o   61.948   18.373  1759.31  990.568   0.0000   0.0000  1759.31  990.568  ?   ?    61.948   18.373 0.000000 18.37316 
1 1 1   24   18   21 o   29.209   14.075 -1305.3370  992.523   0.0000   0.0000 -1305.3370  992.523  ?   ?    29.209   14.075 0.000000 14.07489 
1 1 1   24   18   22 o   54.491   21.374  1320.01  1378.85   0.0000   0.0000  1320.01  1378.85  ?   ?    54.491   21.374 0.000000 21.37375 
1 1 1   24   20    0 o  251.114   15.484 25837.11  3141.76   0.0000   0.0000 25837.11  3141.76  ?   ?   251.114   15.484 0.000000 15.48414 
1 1 1   24   20    1 o  215.723   14.474 19067.69  2520.51   0.0000   0.0000 19067.69  2520.51  ?   ?   215.723   14.474 0.000000 14.47367 
1 1 1   24   20    2 o  528.297   22.218 114604.90  9530.82 112910.30 16600.52 115438.20 11640.46  516.563   39.888  528.050   27.242 -11.48730 48.30263 
1 1 1   24   20    3 f  271.572   13.295 30067.42  2931.64 29225.65  5130.61 30475.48  3572.25  265.443   24.066  272.660   16.208 -7.216919 29.01548 
1 1 1   24   20    4 o  172.856   11.331 12220.45  1581.55 10394.68  2792.92 13082.26  1918.85  157.510   22.475  178.629   13.326 -21.11871 26.12870 
1 1 1   24   20    5 o  441.040   23.400 80303.23  8349.93 78899.80 11987.96 81625.69 11637.03  433.039   34.377  441.217   32.716 -8.178253 47.45622 
1 1 1   24   20    6 o  212.513   8.5895 18372.04  1482.14 21028.93  2328.93 16563.49  1921.48  226.737   12.701  201.258   11.810 25.47923 17.34352 
1 1 1   24   20    7 o  174.074   8.4810 12328.20  1198.73 20578.26  2644.01 10193.63  1344.90  223.964   14.620  157.847   10.554 66.11702 18.03116 
1 1 1   24   20    8 o  619.043   25.142 158735.50 12637.32 162068.09 22419.91 157183.59 15299.36  610.447   45.560  612.221   30.876 -1.774536 55.03738 
1 1 1   24   20    9 o  367.917   15.685 55432.46  4685.64 57650.15  8691.57 54523.86  5563.30  370.275   29.145  363.710   18.903 6.565094 34.73836 
1 1 1   24   20   10 o  402.132   17.765 66490.96  5800.54 63650.01 10654.28 67687.80  6915.26  385.515   34.398  404.153   21.146 -18.63797 40.37791 
1 1 1   24   20   11 o  150.352   10.177  9266.24  1235.14  6920.24  2890.18  9790.43  1366.18  125.629   28.931  154.450   10.965 -28.82140 30.93890 
1 1 1   24   20   12 o  332.736   14.267 45543.95  3854.59 54745.52  7393.61 42109.55  4517.02  358.876   25.540  318.430   17.538 40.44635 30.98156 
1 1 1   24   20   13 f  346.164   15.012 49586.80  4219.55 61623.10  8117.64 45130.70  4939.26  377.524   26.653  328.102   18.617 49.42221 32.51111 
1 1 1   24   20   14 o  169.311   11.358 11848.88  1552.45 10019.33  4070.91 12160.23  1679.36  145.403   34.920  171.312   12.152 -25.90915 36.97395 
1 1 1   24   20   15 o  135.829   11.388  7665.40  1244.41  7746.23  3783.52  7655.60  1317.72  126.001   35.476  135.545   12.100 -9.544769 37.48275 
1 1 1   24   20   16 o   97.061   13.336  3995.73  1023.24  8271.22  3696.76  3640.99  1064.84  128.925   34.594   92.147   14.728 36.77764 37.59887 
1 1 1   24   20   17 o   39.013   15.945  281.311  800.969  3749.50  3774.80  117.798  819.633   91.746   35.537   37.415   15.777 54.33113 38.88158 
1 1 1   24   20   18 o   61.284   18.341  1672.93  983.833  4652.43  3615.73  1434.69  1022.41   95.275   35.256   57.661   18.912 37.61405 40.00769 
1 1 1   24   20   19 o  104.149   15.122  4764.19  1241.40  2295.58  5140.67  4917.07  1279.26   83.164   37.178  105.715   15.352 -22.55132 40.22289 
1 1 1   24   20   20 o  112.323   16.053  5683.92  1422.45   0.0000   0.0000  5683.92  1422.45  ?   ?   112.323   16.053 0.000000 16.05334 
1 1 1   24   20   21 o   68.946   20.768  2419.97  1258.36   0.0000   0.0000  2419.97  1258.36  ?   ?    68.946   20.768 0.000000 20.76757 
1 1 1   24   22    0 o  159.176   13.588 10412.92  1739.33   0.0000   0.0000 10412.92  1739.33  ?   ?   159.176   13.588 0.000000 13.58772 
1 1 1   24   22    1 o  402.662   22.148 66908.45  7213.32   0.0000   0.0000 66908.45  7213.32  ?   ?   402.662   22.148 0.000000 22.14773 
1 1 1   24   22    2 o  577.487   24.219 137611.91 11356.34 129541.30 19837.70 141546.00 13850.36  548.061   44.975  582.798   29.363 -34.73712 53.71150 
1 1 1   24   22    3 o  458.465   19.986 86310.61  7439.95 87374.36 12982.56 85790.42  9078.60  454.569   35.454  455.108   24.660 -0.5390930 43.18706 
1 1 1   24   22    4 o  752.323   30.624 236191.30 18707.07 235130.59 32450.22 236719.30 22894.25  727.041   55.386  746.991   37.870 -19.95044 67.09505 
1 1 1   24   22    5 o  317.368   18.447 41460.55  4733.03 43564.47  6952.69 39643.51  6461.31  322.956   26.755  308.208   26.063 14.74844 37.35113 
1 1 1   24   22    6 o  120.321   9.2348  5928.51  895.332  5679.20  2286.92  5973.64  973.000  114.920   25.202  120.689   10.020 -5.769577 27.12107 
1 1 1   24   22    7 o  234.145   13.639 22479.23  2581.77 15079.98  5162.93 24946.43  2981.29  185.861   35.506  246.462   14.968 -60.60121 38.53225 
1 1 1   24   22    8 o  281.912   12.534 32464.58  2869.06 35492.70  5688.79 31431.62  3322.56  291.385   24.265  276.663   14.845 14.72287 28.44570 
1 1 1   24   22    9 o  324.396   14.038 43105.84  3697.47 46696.68  7164.92 41802.46  4316.66  332.809   26.740  318.431   16.754 14.37762 31.55514 
1 1 1   24   22   10 o  387.177   16.028 61734.57  5038.76 75333.97  9642.85 56626.57  5909.77  420.541   28.406  368.946   19.800 51.59415 34.62568 
1 1 1   24   22   11 o  212.605   10.927 18556.50  1879.90 26539.69  4238.88 16601.90  2097.45  250.919   20.999  200.607   12.946 50.31184 24.66853 
1 1 1   24   22   12 o   15.661   7.8053 -1031.5909  397.601 -2709.9590  2532.93 -989.1903  402.592   49.737   23.553   16.067   7.9824 33.67013 24.86900 
1 1 1   24   22   13 o  167.080   11.027 11533.54  1487.58 13335.98  4036.18 11250.21  1600.23  171.010   30.170  164.730   12.047 6.279984 32.48690 
1 1 1   24   22   14 o   99.788   11.649  4166.98  926.054  1555.42  3347.40  4383.42  963.664   78.413   32.383  102.336   11.814 -23.92297 34.47071 
1 1 1   24   22   15 o  120.180   12.278  6058.15  1181.31  8421.87  3636.73  5779.32  1249.05  130.414   33.996  117.002   13.389 13.41251 36.53749 
1 1 1   24   22   16 o   98.837   14.073  4182.37  1097.51  4949.39  4352.00  4130.28  1134.17  100.651   38.368   97.981   14.710 2.669609 41.09110 
1 1 1   24   22   17 o  116.518   14.041  5823.65  1301.66  1601.38  4891.37  6145.44  1350.35   83.133   36.765  119.673   14.172 -36.53991 39.40209 
1 1 1   24   22   18 o   74.066   18.476  2522.17  1107.46  1147.92  4230.15  2623.29  1147.49   75.531   33.748   75.426   18.803 0.1047211 38.63254 
1 1 1   24   22   19 o   42.765   17.522  440.221  970.280   0.0000   0.0000  440.221  970.280  ?   ?    42.765   17.522 0.000000 17.52174 
1 1 1   24   22   20 o  133.227   15.951  8120.29  1691.21   0.0000   0.0000  8120.29  1691.21  ?   ?   133.227   15.951 0.000000 15.95108 
1 1 1   24   22   21 f   76.470   27.193  3725.59  2123.04   0.0000   0.0000  3725.59  2123.04  ?   ?    76.470   27.193 0.000000 27.19297 
1 1 1   24   24    0 o  227.874   15.987 21365.13  2939.31   0.0000   0.0000 21365.13  2939.31  ?   ?   227.874   15.987 0.000000 15.98717 
1 1 1   24   24    1 o  330.329   19.674 45032.75  5252.91   0.0000   0.0000 45032.75  5252.91  ?   ?   330.329   19.674 0.000000 19.67376 
1 1 1   24   24    2 o  564.071   30.103 133528.70 13737.55   0.0000   0.0000 133528.70 13737.55  ?   ?   564.071   30.103 0.000000 30.10296 
1 1 1   24   24    3 o  334.719   16.326 45911.13  4437.12 39708.91  7859.33 48812.88  5375.80  305.750   32.139  343.975   19.326 -38.22531 37.50198 
1 1 1   24   24    4 o  148.152   12.809  9029.80  1525.64  8865.12  2744.85  9103.42  1835.24  144.387   24.274  148.316   15.467 -3.929001 28.78298 
1 1 1   24   24    5 o  464.355   21.156 89046.47  7976.64 85148.88 13880.85 90968.11  9746.63  443.833   38.910  466.758   25.818 -22.92545 46.69649 
1 1 1   24   24    6 o  330.998   19.823 45361.50  5303.19 45665.81  7871.56 45108.58  7176.25  328.131   29.872  327.274   27.253 0.8569336 40.43553 
1 1 1   24   24    7 o  207.169   9.4526 17497.36  1590.07 25722.09  3672.89 15600.34  1763.93  249.128   18.285  195.141   11.179 53.98688 21.43149 
1 1 1   24   24    8 o  198.146   12.087 16126.15  1935.35 12575.16  4449.75 16954.60  2149.28  168.232   33.749  202.987   13.110 -34.75481 36.20623 
1 1 1   24   24    9 o  105.371   9.3722  4569.70  793.495  3854.02  3114.60  4619.38  820.571   96.530   33.031  105.905   9.6484 -9.374290 34.41112 
1 1 1   24   24   10 o   37.097   13.016  501.891  484.953 -2807.3999  2865.72  599.455  492.050   53.781   25.341   39.269   13.130 14.51146 28.54060 
1 1 1   24   24   11 o   65.379   13.305  1827.86  682.294  9421.22  3198.31  1465.82  698.370  144.597   28.254   58.335   14.739 86.26186 31.86715 
1 1 1   24   24   12 o  193.944   11.671 15570.16  1829.40 20612.73  4881.82 14746.36  1973.18  213.682   28.877  188.294   12.985 25.38783 31.66192 
1 1 1   24   24   13 o  122.455   11.152  6240.43  1096.67  7844.00  4055.34  6113.90  1139.12  125.268   37.180  121.037   11.738 4.230286 38.98943 
1 1 1   24   24   14 o  112.560   12.037  5318.61  1083.02  3888.32  4206.81  5420.13  1120.80   95.406   37.358  113.541   12.357 -18.13468 39.34892 
1 1 1   24   24   15 o  159.642   12.346 10701.80  1587.88  9242.71  4519.41 10907.29  1696.00  129.851   39.412  160.844   13.100 -30.99289 41.53228 
1 1 1   24   24   16 o  106.629   13.932  4886.98  1177.36  4300.97  4759.52  4925.17  1215.13   94.684   38.802  106.868   14.368 -12.18322 41.37676 
1 1 1   24   24   17 o   37.456   16.194   9.8947  903.037  7035.56  5144.13 -213.4978  917.281  105.198   41.277   35.615   15.827 69.58343 44.20753 
1 1 1   24   24   18 f   54.833   18.790  1327.07  1007.89   0.0000   0.0000  1327.07  1007.89  ?   ?    54.833   18.790 0.000000 18.78973 
1 1 1   24   24   19 o   74.254   20.803  2769.45  1304.35   0.0000   0.0000  2769.45  1304.35  ?   ?    74.254   20.803 0.000000 20.80281 
1 1 1   24   24   20 o   56.475   23.668  1381.54  1826.22   0.0000   0.0000  1381.54  1826.22  ?   ?    56.475   23.668 0.000000 23.66783 
1 1 1   24   26    0 o  318.718   19.768 42082.30  5090.42   0.0000   0.0000 42082.30  5090.42  ?   ?   318.718   19.768 0.000000 19.76774 
1 1 1   24   26    1 o  191.073   16.874 15115.81  2591.00   0.0000   0.0000 15115.81  2591.00  ?   ?   191.073   16.874 0.000000 16.87392 
1 1 1   24   26    2 o  323.253   20.189 43342.20  5272.46   0.0000   0.0000 43342.20  5272.46  ?   ?   323.253   20.189 0.000000 20.18883 
1 1 1   24   26    3 o  157.735   13.716 10263.16  1739.15  7656.01  3225.69 11331.62  2064.99  132.016   30.677  165.444   15.555 -33.42828 34.39499 
1 1 1   24   26    4 o   76.416   20.406  2503.22  1290.02  3469.20  2145.46  1956.23  1614.47   90.225   27.104   70.559   23.783 19.66593 36.05879 
1 1 1   24   26    5 f   48.626   18.717  658.472  1042.03  1439.66  1686.96  176.527  1325.03   65.301   24.098   48.031   20.146 17.27076 31.40975 
1 1 1   24   26    6 o  252.630   15.599 26395.60  3184.14 29815.08  5872.97 24971.99  3789.42  263.490   27.874  244.525   19.241 18.96469 33.87015 
1 1 1   24   26    7 o  116.611   8.7871  5582.48  825.889  8801.04  3151.38  5345.12  855.801  140.938   28.517  114.010   9.3263 26.92796 30.00364 
1 1 1   24   26    8 o  128.634   9.6601  6808.48  1001.60 10222.18  3843.64  6559.78  1037.44  149.624   32.562  126.149   10.216 23.47480 34.12750 
1 1 1   24   26    9 o   51.313   11.828  1126.39  482.704 -1482.4910  2712.67  1211.70  490.533   56.963   26.075   53.260   11.666 3.702682 28.56526 
1 1 1   24   26   10 o  114.170   10.175  5395.37  933.345  7746.02  3872.01  5250.36  961.703  126.794   35.955  112.509   10.654 14.28532 37.50016 
1 1 1   24   26   11 o  205.536   12.615 17568.33  2095.04 17640.77  5679.56 17556.92  2254.00  189.111   38.301  205.070   13.614 -15.95955 40.64861 
1 1 1   24   26   12 o   89.935   12.522  3420.00  889.591 -4096.1401  4258.97  3762.88  909.656   62.804   29.967   94.519   12.133 -31.71503 32.32978 
1 1 1   24   26   13 o  147.186   11.210  9033.02  1329.70 17920.51  4538.93  8198.67  1390.71  194.714   29.645  139.778   12.382 54.93564 32.12664 
1 1 1   24   26   14 o  124.611   11.856  6533.71  1185.14 18273.41  5144.64  5875.79  1217.90  189.392   34.735  117.713   12.957 71.67947 37.07253 
1 1 1   24   26   15 o  102.711   13.899  4546.22  1129.37  9777.34  4652.00  4218.60  1164.19  128.570   40.160   98.402   15.049 30.16741 42.88667 
1 1 1   24   26   16 f   70.003   17.799  2246.44  1013.99  6931.19  5646.51  2090.32  1030.74  103.008   42.244   67.409   18.343 35.59944 46.05463 
1 1 1   24   26   17 o   36.791   16.509 -269.2816  1023.77   0.0000   0.0000 -269.2816  1023.77  ?   ?    36.791   16.509 0.000000 16.50872 
1 1 1   24   26   18 o   41.163   17.367  321.740  993.961   0.0000   0.0000  321.740  993.961  ?   ?    41.163   17.367 0.000000 17.36660 
1 1 1   24   26   19 o   90.363   26.841  4962.57  2112.92   0.0000   0.0000  4962.57  2112.92  ?   ?    90.363   26.841 0.000000 26.84143 
1 1 1   24   28    0 o  398.099   23.745 66875.50  7640.63   0.0000   0.0000 66875.50  7640.63  ?   ?   398.099   23.745 0.000000 23.74549 
1 1 1   24   28    1 o  176.861   17.775 13081.94  2517.98   0.0000   0.0000 13081.94  2517.98  ?   ?   176.861   17.775 0.000000 17.77467 
1 1 1   24   28    2 o   45.606   19.364   66.597  1248.51   0.0000   0.0000   66.597  1248.51  ?   ?    45.606   19.364 0.000000 19.36446 
1 1 1   24   28    3 o  105.360   19.676  4771.08  1621.35   0.0000   0.0000  4771.08  1621.35  ?   ?   105.360   19.676 0.000000 19.67603 
1 1 1   24   28    4 o  132.996   16.567  7441.61  1750.31  7718.26  4020.79  7376.92  1944.18  129.091   36.650  131.796   18.691 -2.704575 41.14146 
1 1 1   24   28    5 o  234.398   16.345 22926.87  3091.31 31274.92  6014.27 19929.51  3603.80  267.327   28.130  216.662   20.738 50.66451 34.94817 
1 1 1   24   28    6 o  315.372   17.899 41751.16  4564.45 45767.53  8387.20 40061.07  5440.70  318.302   32.928  306.340   22.020 11.96167 39.61229 
1 1 1   24   28    7 o  179.818   12.458 13407.11  1807.80  7590.65  4981.94 14289.13  1940.03  124.961   41.780  185.507   12.961 -60.54624 43.74412 
1 1 1   24   28    8 o  291.876   14.751 35565.20  3484.48 40236.70  8094.99 34502.79  3860.42  293.380   34.651  286.383   16.674 6.996918 38.45381 
1 1 1   24   28    9 o   45.420   11.315  884.738  415.745  1546.71  4016.47  877.569  417.990   82.979   34.954   45.237   11.388 37.74119 36.76225 
1 1 1   24   28   10 o   72.688   11.323  2234.30  646.506  6760.91  4364.41  2132.75  653.718  115.666   39.103   70.871   11.773 44.79591 40.83662 
1 1 1   24   28   11 o  136.295   11.293  7750.44  1238.55  8160.34  4571.01  7717.96  1286.69  123.785   39.948  135.847   11.782 -12.06216 41.64907 
1 1 1   24   28   12 o   41.186   14.962  608.006  646.598  2272.48  3935.37  561.825  655.507   83.445   34.839   40.530   15.009 42.91471 37.93418 
1 1 1   24   28   13 o   65.031   16.086  1880.60  844.723 11027.77  5496.15  1659.30  854.880  134.081   43.842   61.076   16.740 73.00479 46.92963 
1 1 1   24   28   14 o  159.665   12.995 10854.54  1670.04  9811.93  6097.49 10939.10  1736.44  119.501   45.448  160.002   13.492 -40.50161 47.40813 
1 1 1   24   28   15 f   90.810   17.195  3738.94  1221.43   0.0000   0.0000  3738.94  1221.43  ?   ?    90.810   17.195 0.000000 17.19486 
1 1 1   24   28   16 o   43.314   18.406  289.294  1129.57   0.0000   0.0000  289.294  1129.57  ?   ?    43.314   18.406 0.000000 18.40595 
1 1 1   24   28   17 f   44.880   18.200  630.817  1033.61   0.0000   0.0000  630.817  1033.61  ?   ?    44.880   18.200 0.000000 18.19968 
1 1 1   24   28   18 o   32.983   16.088 -1882.8810  1403.59   0.0000   0.0000 -1882.8810  1403.59  ?   ?    32.983   16.088 0.000000 16.08835 
1 1 1   24   30    0 o   85.415   23.042  3232.58  1634.84   0.0000   0.0000  3232.58  1634.84  ?   ?    85.415   23.042 0.000000 23.04176 
1 1 1   24   30    1 o   88.391   24.113  3477.97  1778.59   0.0000   0.0000  3477.97  1778.59  ?   ?    88.391   24.113 0.000000 24.11286 
1 1 1   24   30    2 o  225.747   19.713 21697.64  3577.10   0.0000   0.0000 21697.64  3577.10  ?   ?   225.747   19.713 0.000000 19.71291 
1 1 1   24   30    3 o  149.437   19.637  9595.89  2325.01   0.0000   0.0000  9595.89  2325.01  ?   ?   149.437   19.637 0.000000 19.63687 
1 1 1   24   30    4 o   61.985   22.489  1425.91  1460.22   80.897  3990.31  1633.87  1569.05   76.385   33.515   65.256   23.359 11.12883 40.85203 
1 1 1   24   30    5 o  106.177   21.051  4973.54  1750.72  6883.46  3851.32  4476.07  1965.55  119.010   36.437   99.504   24.493 19.50568 43.90382 
1 1 1   24   30    6 o  110.211   20.784  5357.16  1791.75  6723.56  4616.79  5114.86  1944.13  116.618   40.201  106.739   23.102 9.879295 46.36654 
1 1 1   24   30    7 o  125.296   21.443  6944.69  2103.14 12051.38  4978.66  5835.47  2320.34  153.027   39.722  112.653   25.908 40.37407 47.42368 
1 1 1   24   30    8 f  117.040   10.049  5688.44  945.710  5403.29  5143.00  5698.42  962.116  106.857   41.455  117.099   10.221 -10.24210 42.69626 
1 1 1   24   30    9 o  263.924   13.692 29256.63  2924.11 39971.17  8245.40 27715.24  3127.38  281.855   36.916  255.927   15.117 25.92859 39.89115 
1 1 1   24   30   10 o  214.890   11.982 19312.88  2082.32 25093.09  6600.86 18674.08  2194.37  218.713   38.580  210.817   12.881 7.895432 40.67329 
1 1 1   24   30   11 o  222.559   12.851 20879.52  2312.42 31307.87  7809.33 19877.28  2420.99  235.941   42.318  216.498   13.845 19.44319 44.52538 
1 1 1   24   30   12 o  213.493   13.553 19398.51  2337.19 11108.98  8170.12 20137.33  2439.11  120.647   50.270  217.279   13.898 -96.63251 52.15549 
1 1 1   24   30   13 o  168.074   12.941 12072.47  1752.51 13103.44  7807.13 12017.76  1798.41  123.589   50.053  167.433   13.339 -43.84322 51.80010 
1 1 1   24   30   14 o   85.036   17.485  3327.55  1166.97   0.0000   0.0000  3327.55  1166.97  ?   ?    85.036   17.485 0.000000 17.48517 
1 1 1   24   30   15 o   55.950   19.739  1419.81  1116.50   0.0000   0.0000  1419.81  1116.50  ?   ?    55.950   19.739 0.000000 19.73882 
1 1 1   24   30   16 o   48.076   19.170  859.943  1126.21   0.0000   0.0000  859.943  1126.21  ?   ?    48.076   19.170 0.000000 19.16982 
1 1 1   24   32    0 o  213.615   20.991 19865.50  3593.84   0.0000   0.0000 19865.50  3593.84  ?   ?   213.615   20.991 0.000000 20.99105 
1 1 1   24   32    1 o  156.322   21.958 10777.41  2710.22   0.0000   0.0000 10777.41  2710.22  ?   ?   156.322   21.958 0.000000 21.95793 
1 1 1   24   32    2 o  346.984   24.602 53456.79  6886.30   0.0000   0.0000 53456.79  6886.30  ?   ?   346.984   24.602 0.000000 24.60153 
1 1 1   24   32    3 o  291.295   23.648 37558.33  5545.07   0.0000   0.0000 37558.33  5545.07  ?   ?   291.295   23.648 0.000000 23.64832 
1 1 1   24   32    4 o  232.538   23.485 24037.90  4373.53   0.0000   0.0000 24037.90  4373.53  ?   ?   232.538   23.485 0.000000 23.48508 
1 1 1   24   32    5 o   86.686   26.305  3475.01  2013.35  9573.63  5480.60  2523.58  2164.71  130.872   43.821   77.008   27.451 53.86391 51.70863 
1 1 1   24   32    6 o  175.852   21.403 13708.59  2993.00 18321.70  6752.08 12580.50  3338.96  178.349   46.240  165.441   25.689 12.90805 52.89717 
1 1 1   24   32    7 o   54.828   24.005 -27.7838  2037.25 -2241.1819  5270.62  360.996  2208.94   74.282   34.800   59.288   25.479 14.99381 43.12981 
1 1 1   24   32    8 o  137.426   9.8896  7858.01  1096.16 21110.69  6393.44  7456.65  1112.63  194.660   41.705  133.705   10.329 60.95528 42.96541 
1 1 1   24   32    9 o   41.435   11.821  737.432  417.208 10805.71  6188.47  691.462  418.159  128.331   46.337   40.287   11.935 88.04480 47.84973 
1 1 1   24   32   10 o  118.802   10.776  5939.88  1028.15 16847.65  6466.13  5656.94  1041.40  159.025   46.884  115.744   11.222 43.28054 48.20879 
1 1 1   24   32   11 o  150.040   11.661  9541.45  1409.47 15122.53  8431.61  9381.01  1429.59  128.625   52.043  148.612   11.948 -19.98653 53.39706 
1 1 1   24   32   12 o   35.244   14.087  315.726  609.557   0.0000   0.0000  315.726  609.557  ?   ?    35.244   14.087 0.000000 14.08669 
1 1 1   24   32   13 o   80.365   16.860  2993.42  1065.11   0.0000   0.0000  2993.42  1065.11  ?   ?    80.365   16.860 0.000000 16.86047 
1 1 1   24   32   14 o  136.525   14.028  8327.82  1532.91   0.0000   0.0000  8327.82  1532.91  ?   ?   136.525   14.028 0.000000 14.02767 
1 1 1   24   32   15 o   40.110   16.696  413.631  900.005   0.0000   0.0000  413.631  900.005  ?   ?    40.110   16.696 0.000000 16.69619 
1 1 1   24   34    0 o  216.350   22.972 21120.12  3973.80   0.0000   0.0000 21120.12  3973.80  ?   ?   216.350   22.972 0.000000 22.97241 
1 1 1   24   34    1 f  216.497   23.885 21315.52  4128.89   0.0000   0.0000 21315.52  4128.89  ?   ?   216.497   23.885 0.000000 23.88545 
1 1 1   24   34    2 o  128.134   30.893  8165.03  3176.64   0.0000   0.0000  8165.03  3176.64  ?   ?   128.134   30.893 0.000000 30.89312 
1 1 1   24   34    3 o  169.635   27.892 13707.85  3708.20   0.0000   0.0000 13707.85  3708.20  ?   ?   169.635   27.892 0.000000 27.89176 
1 1 1   24   34    4 o  126.178   32.584  8168.78  3361.49   0.0000   0.0000  8168.78  3361.49  ?   ?   126.178   32.584 0.000000 32.58363 
1 1 1   24   34    5 o   83.793   28.731  3344.62  2356.50   0.0000   0.0000  3344.62  2356.50  ?   ?    83.793   28.731 0.000000 28.73070 
1 1 1   24   34    6 o   87.803   28.547  3796.02  2331.35  7152.32  7283.28  3412.87  2460.83  108.337   46.403   84.085   29.329 24.25162 54.89502 
1 1 1   24   34    7 o  146.197   26.638 10385.39  3045.66 14717.11  7196.88  9440.37  3361.51  139.883   50.032  134.944   31.288 4.939636 59.00983 
1 1 1   24   34    8 o  171.289   10.998 12351.66  1521.54 22447.62  8791.95 12039.94  1544.85  160.498   55.468  168.923   11.329 -8.424911 56.61353 
1 1 1   24   34    9 o   95.877   10.629  3901.99  813.560 -3247.9299  8192.01  3973.21  817.602   78.790   38.526   96.779   10.577 -17.98829 39.95105 
1 1 1   24   34   10 o   28.943   12.200   76.833  489.862   0.0000   0.0000   76.833  489.862  ?   ?    28.943   12.200 0.000000 12.20033 
1 1 1   24   34   11 o   66.935   13.760  2014.13  722.885   0.0000   0.0000  2014.13  722.885  ?   ?    66.935   13.760 0.000000 13.76047 
1 1 1   24   34   12 o   22.549   10.865 -820.8485  591.259   0.0000   0.0000 -820.8485  591.259  ?   ?    22.549   10.865 0.000000 10.86506 
1 1 1   24   34   13 o   84.704   16.545  3425.21  1097.12   0.0000   0.0000  3425.21  1097.12  ?   ?    84.704   16.545 0.000000 16.54540 
1 1 1   24   36    0 o   58.881   25.412  522.188  2215.69   0.0000   0.0000  522.188  2215.69  ?   ?    58.881   25.412 0.000000 25.41166 
1 1 1   24   36    1 o   72.926   29.444  2089.01  2692.59   0.0000   0.0000  2089.01  2692.59  ?   ?    72.926   29.444 0.000000 29.44378 
1 1 1   24   36    2 o  106.668   33.129  6253.09  3170.81   0.0000   0.0000  6253.09  3170.81  ?   ?   106.668   33.129 0.000000 33.12878 
1 1 1   24   36    3 f  115.017   34.227  7438.42  3433.37   0.0000   0.0000  7438.42  3433.37  ?   ?   115.017   34.227 0.000000 34.22728 
1 1 1   24   36    4 o  117.359   34.121  7797.52  3446.06   0.0000   0.0000  7797.52  3446.06  ?   ?   117.359   34.121 0.000000 34.12106 
1 1 1   24   36    5 o   86.832   31.347  4024.29  2831.94   0.0000   0.0000  4024.29  2831.94  ?   ?    86.832   31.347 0.000000 31.34705 
1 1 1   24   36    6 o   39.046   19.155 -3355.3789  2076.55   0.0000   0.0000 -3355.3789  2076.55  ?   ?    39.046   19.155 0.000000 19.15539 
1 1 1   24   36    7 o  133.954   38.142 11562.77  4348.15   0.0000   0.0000 11562.77  4348.15  ?   ?   133.954   38.142 0.000000 38.14189 
1 1 1   24   36    8 o  129.199   11.986  7206.17  1243.08   0.0000   0.0000  7206.17  1243.08  ?   ?   129.199   11.986 0.000000 11.98600 
1 1 1   24   36    9 o   28.298   11.294  199.048  391.241   0.0000   0.0000  199.048  391.241  ?   ?    28.298   11.294 0.000000 11.29399 
1 1 1   24   36   10 o   91.426   12.162  3692.32  880.474   0.0000   0.0000  3692.32  880.474  ?   ?    91.426   12.162 0.000000 12.16246 
1 1 1   24   36   11 o   43.137   14.971  820.320  640.809   0.0000   0.0000  820.320  640.809  ?   ?    43.137   14.971 0.000000 14.97124 
1 1 1   24   38    0 o   68.624   30.059  1574.23  3197.80   0.0000   0.0000  1574.23  3197.80  ?   ?    68.624   30.059 0.000000 30.05879 
1 1 1   24   38    1 o   59.073   27.224 -275.1637  3026.02   0.0000   0.0000 -275.1637  3026.02  ?   ?    59.073   27.224 0.000000 27.22369 
1 1 1   24   38    2 o   63.880   28.813  668.096  3164.67   0.0000   0.0000  668.096  3164.67  ?   ?    63.880   28.813 0.000000 28.81263 
1 1 1   24   38    3 o   86.956   35.438  4915.43  3942.54   0.0000   0.0000  4915.43  3942.54  ?   ?    86.956   35.438 0.000000 35.43822 
1 1 1   24   38    4 o   70.132   30.795  2000.85  3374.79   0.0000   0.0000  2000.85  3374.79  ?   ?    70.132   30.795 0.000000 30.79542 
1 1 1   24   38    5 o   71.440   30.683  2520.50  3199.84   0.0000   0.0000  2520.50  3199.84  ?   ?    71.440   30.683 0.000000 30.68252 
1 1 1   24   38    6 o   91.127   37.026  6694.71  4287.44   0.0000   0.0000  6694.71  4287.44  ?   ?    91.127   37.026 0.000000 37.02624 
1 1 1   24   38    7 f   47.443   23.476 -4163.3218  3352.45   0.0000   0.0000 -4163.3218  3352.45  ?   ?    47.443   23.476 0.000000 23.47607 
1 1 1   24   38    8 o   56.698   11.603  1448.24  516.154   0.0000   0.0000  1448.24  516.154  ?   ?    56.698   11.603 0.000000 11.60260 
1 1 1   24   38    9 o   32.771   12.351  393.846  447.779   0.0000   0.0000  393.846  447.779  ?   ?    32.771   12.351 0.000000 12.35115 
1 1 1   24   40    0 o   47.575   23.469 -3452.7920  3261.35   0.0000   0.0000 -3452.7920  3261.35  ?   ?    47.575   23.469 0.000000 23.46902 
1 1 1   24   40    1 o   47.052   23.360 -4232.8340  3424.42   0.0000   0.0000 -4232.8340  3424.42  ?   ?    47.052   23.360 0.000000 23.35972 
1 1 1   24   40    2 o   64.384   29.943  1678.62  3788.10   0.0000   0.0000  1678.62  3788.10  ?   ?    64.384   29.943 0.000000 29.94338 
1 1 1   24   40    3 f   69.060   31.846  3074.26  4150.30   0.0000   0.0000  3074.26  4150.30  ?   ?    69.060   31.846 0.000000 31.84605 
1 1 1   24   40    4 o   85.921   36.335  7580.35  4367.56   0.0000   0.0000  7580.35  4367.56  ?   ?    85.921   36.335 0.000000 36.33533 
1 1 1   24   40    5 o   73.161   33.722  5224.67  4645.87   0.0000   0.0000  5224.67  4645.87  ?   ?    73.161   33.722 0.000000 33.72178 
1 1 1   25    1    0 o  800.280   38.717 263293.31 25158.10 260808.41 35574.23 265779.59 35583.63  789.380   55.863  797.133   55.319 -7.753174 78.61884 
1 1 1   25    1    1 o  444.424   15.642 80341.86  5644.59 80295.61  7977.61 80388.23  7987.71  443.867   22.135  444.122   22.150 -0.2547607 31.31461 
1 1 1   25    1    2 o  899.452   30.239 330620.69 22084.65 338199.41 31223.94 323033.91 31240.89  906.824   42.406  885.982   43.427 20.84247 60.69736 
1 1 1   25    1    3 o  138.439   6.3576  7782.85  714.646  7821.13  1004.80  7743.67  1016.62  138.469   8.9855  137.768   9.1400 0.7017059 12.81715 
1 1 1   25    1    4 o  790.506   26.409 254754.00 16951.24 252906.09 23973.09 256601.80 23972.26  785.971   37.565  791.741   37.290 -5.769958 52.93028 
1 1 1   25    1    5 o  1220.09   41.222 609976.88 40837.16 616928.81 57755.13 603026.31 57749.80  1221.44   58.235  1207.34   58.909 14.09717 82.83460 
1 1 1   25    1    6 o  883.701   30.138 318614.91 21625.00 320861.91 30586.78 316369.31 30577.96  884.640   42.582  878.366   42.874 6.274231 60.42711 
1 1 1   25    1    7 o  491.628   16.798 98295.76  6705.61 105182.40  9490.11 91429.25  9476.25  508.172   23.000  473.024   24.759 35.14816 33.79314 
1 1 1   25    1    8 o  764.139   29.482 238760.70 18291.97 246092.59 22417.67 224154.30 31641.23  774.508   35.647  732.596   53.564 41.91150 64.34138 
1 1 1   25    1    9 o  239.278   9.0424 23267.10  1756.80 23116.14  2489.77 23416.79  2479.25  238.028   12.931  239.588   12.791 -1.560486 18.18805 
1 1 1   25    1   10 o  299.555   10.748 36498.53  2614.11 37724.54  3703.00 35280.55  3690.86  304.276   14.988  293.810   15.526 10.46555 21.58031 
1 1 1   25    1   11 o  535.435   18.289 117115.20  7951.45 107978.40 11249.89 126236.30 11240.21  511.526   27.183  554.417   24.969 -42.89069 36.91048 
1 1 1   25    1   12 o   99.667   7.9589  4063.93  638.710  5170.73  1170.88  3595.07  762.081  111.893   13.138   93.447   10.210 18.44580 16.63844 
1 1 1   25    1   13 o  599.738   20.589 147533.20 10026.25 149682.00 14188.10 145389.70 14170.44  601.047   29.072  592.202   29.470 8.844910 41.39629 
1 1 1   25    1   14 o  670.601   23.282 185387.00 12677.09 181846.09 17935.12 188922.41 17921.12  657.955   33.684  671.933   32.847 -13.97754 47.04876 
1 1 1   25    1   15 o  223.917   9.2824 20414.40  1687.67 20672.68  2400.33 20161.90  2373.36  224.614   13.219  221.809   13.238 2.804550 18.70843 
1 1 1   25    1   16 o  213.392   9.0432 18551.84  1566.90 18437.68  2228.89 18663.38  2203.18  211.947   13.015  213.286   12.781 -1.339233 18.24079 
1 1 1   25    1   17 o   74.915   10.953  2342.94  646.559  2897.82  1318.55  2167.29  741.873   81.874   20.005   71.563   13.256 10.31056 23.99777 
1 1 1   25    1   18 o   55.266   15.114  1306.10  697.777  1182.96  1257.71  1360.85  838.691   57.526   20.871   56.764   16.922 0.7627335 26.86964 
1 1 1   25    1   19 o   66.817   25.870  1420.64  1999.76  1420.64  1999.76   0.0000   0.0000   66.817   25.870  ?   ?  0.000000 25.86972 
1 1 1   25    1   20 o   30.224   13.833 -490.3277  763.146 -490.3277  763.146   0.0000   0.0000   30.224   13.833  ?   ?  0.000000 13.83309 
1 1 1   25    1   21 o   61.070   14.099  1628.73  684.967  1632.00  961.633  1625.37  975.903   60.959   18.108   60.883   18.278 0.7597351E-01 25.72884 
1 1 1   25    1   22 o  162.972   10.431 11103.52  1373.07 11831.89  2145.99 10598.65  1786.66  164.977   16.230  157.331   14.137 7.645569 21.52367 
1 1 1   25    1   23 o   34.353   13.581  316.773  560.797  930.970  767.413 -387.0887  821.521   47.349   16.386   31.909   14.507 15.43941 21.88527 
1 1 1   25    1   24 o   81.868   13.259  2987.63  851.248  2552.91  1171.84  3473.32  1238.63   72.105   19.532   85.129   18.452 -13.02372 26.86937 
1 1 1   25    3    0 o  383.578   19.462 60066.34  6041.58 58394.44  8536.97 61743.83  8551.21  377.048   28.086  387.884   27.326 -10.83545 39.18591 
1 1 1   25    3    1 o  1211.76   58.862 611719.31 57914.70 616796.81 81926.99 606647.62 81880.52  1198.01   84.770  1187.51   85.491 10.49255 120.3936 
1 1 1   25    3    4 o  1365.88   66.779 776995.88 74060.80 727965.38 104785.10 825937.88 104690.50  1298.65  100.146  1388.99   93.368 -90.34631 136.9195 
1 1 1   25    3    5 o  783.609   26.517 250243.00 16871.98 247879.50 23871.95 252602.00 23849.24  778.378   37.771  785.820   37.378 -7.442139 53.13892 
1 1 1   25    3    6 f  305.915   11.124 38019.80  2763.03 39032.42  3921.72 37021.72  3893.46  309.463   15.658  301.342   15.969 8.120819 22.36526 
1 1 1   25    3    7 o  1047.52   41.041 450323.81 34907.71 468966.09 60440.66 440992.81 42760.57  1055.63   70.926  1033.61   50.951 22.02307 87.33000 
1 1 1   25    3    8 o  987.315   32.824 399534.09 26313.90 412157.81 37232.88 386936.69 37194.09  998.269   45.935  966.673   47.387 31.59613 65.99612 
1 1 1   25    3    9 o  161.727   7.0633 10625.58  927.529 10652.54  1330.18 10600.06  1294.02  161.557   10.192  161.177   9.9362 0.3795319 14.23425 
1 1 1   25    3   10 o  456.216   15.509 84838.67  5745.03 86871.22  8146.95 82828.16  8102.63  460.753   21.777  449.837   22.184 10.91647 31.08585 
1 1 1   25    3   11 o  706.409   27.212 205425.80 15608.10 194504.00 19123.32 227219.00 27013.19  683.677   34.561  732.584   45.640 -48.90680 57.24892 
1 1 1   25    3   12 o  329.364   13.910 44224.16  3719.96 43327.53  6547.61 44651.52  4520.38  323.567   25.119  330.200   16.917 -6.633545 30.28418 
1 1 1   25    3   13 o  375.315   13.550 57447.53  4129.34 55633.48  5860.85 59235.70  5818.91  367.906   19.691  380.308   18.844 -12.40128 27.25464 
1 1 1   25    3   14 o  461.814   16.273 87248.30  6101.96 90054.63  8654.21 84473.84  8604.93  467.474   22.800  451.960   23.530 15.51398 32.76388 
1 1 1   25    3   15 o   96.731   9.5375  3847.25  739.353  4363.03  1439.14  3662.31  861.775  101.623   18.105   94.071   11.523 7.551781 21.46097 
1 1 1   25    3   16 o  429.819   18.034 76084.00  6293.99 68425.32 11043.54 79768.41  7659.75  398.946   34.430  438.792   21.499 -39.84570 40.59063 
1 1 1   25    3   17 o  175.408   12.477 12679.31  1765.42 12275.54  2697.49 12981.84  2334.93  170.660   19.837  176.540   16.479 -5.880722 25.78891 
1 1 1   25    3   18 f   91.199   10.667  3457.10  774.954  3289.48  1026.46  3679.30  1181.78   87.973   14.902   92.804   16.277 -4.830536 22.06794 
1 1 1   25    3   19 o  272.694   11.194 30640.35  2478.53 32916.25  3554.87 28487.40  3457.51  280.264   15.684  260.265   16.446 19.99887 22.72560 
1 1 1   25    3   20 o  149.980   9.2473  9282.96  1120.64 10308.48  1598.47  8291.72  1571.53  157.004   12.646  140.236   13.988 16.76823 18.85702 
1 1 1   25    3   21 o  215.193   12.296 19393.62  2139.60 20360.71  2603.12 17379.72  3756.47  219.078   14.719  195.411   24.192 23.66708 28.31809 
1 1 1   25    3   22 o  126.936   11.727  6810.64  1195.01  6898.61  1362.38  6517.14  2488.42  127.001   13.415  115.060   27.085 11.94070 30.22497 
1 1 1   25    3   23 f  121.573   10.887  6274.25  1063.31  6878.56  1493.75  5653.50  1513.94  124.982   15.020  111.828   17.226 13.15375 22.85502 
1 1 1   25    3   24 o   76.372   12.527  2586.17  749.883  2405.19  1019.80  2799.24  1106.49   70.829   17.764   76.309   18.127 -5.479324 25.37977 
1 1 1   25    5    0 o  660.881   46.229 180889.91 24651.12   0.0000   0.0000 180889.91 24651.12  ?   ?   660.881   46.229 0.000000 46.22948 
1 1 1   25    5    1 f  245.662   13.654 24608.19  2712.76 24170.89  3858.84 25035.48  3814.39  242.880   19.738  247.279   19.147 -4.399094 27.49890 
1 1 1   25    5    2 o  1117.23   53.936 516245.59 48927.70 521021.09 69218.27 511476.59 69170.18  1109.30   77.332  1098.63   78.048 10.66626 109.8718 
1 1 1   25    5    3 o  297.282   10.315 35902.40  2489.79 35423.87  3527.04 36377.73  3515.19  295.197   14.715  299.151   14.472 -3.954346 20.63884 
1 1 1   25    5    4 o  477.997   17.185 92912.16  6669.93 98985.56  9443.99 86867.70  9421.46  493.015   23.592  461.065   25.262 31.95062 34.56516 
1 1 1   25    5    5 o  936.996   30.773 358277.91 23412.55 379651.81 33128.45 336950.69 33092.27  962.323   42.398  906.039   44.982 56.28430 61.81393 
1 1 1   25    5    6 o  530.630   20.821 114602.30  8970.95 107368.80 15511.73 118237.60 10996.50  510.790   37.666  538.668   25.142 -27.87833 45.28652 
1 1 1   25    5    7 o  144.922   9.0205  8564.58  1056.20  6401.78  1807.95  9685.15  1301.35  124.069   18.513  154.038   10.467 -29.96941 21.26725 
1 1 1   25    5    8 o  318.442   11.096 41220.41  2869.10 43112.66  4082.67 39374.07  4032.83  325.479   15.448  310.605   16.045 14.87329 22.27341 
1 1 1   25    5    9 o  481.091   16.643 94334.41  6501.09 95953.00  9220.24 92734.19  9167.84  484.266   23.449  476.031   23.719 8.234558 33.35307 
1 1 1   25    5   10 o  151.778   6.9928  9360.43  861.780  8592.21  1233.41 10093.17  1204.58  144.955   10.552  157.266   9.4776 -12.31068 14.18328 
1 1 1   25    5   11 o  155.758   7.0667  9859.05  893.724  9529.67  1279.35 10173.01  1249.03  152.697   10.380  157.846   9.7938 -5.148529 14.27118 
1 1 1   25    5   12 o  254.921   11.360 26458.42  2351.36 27705.33  4221.73 25897.67  2831.14  259.293   20.212  251.646   13.910 7.646713 24.53567 
1 1 1   25    5   13 o  500.236   20.354 102673.20  8267.17 97964.50 14473.01 104953.60 10072.06  481.397   37.319  504.543   24.586 -23.14639 44.68924 
1 1 1   25    5   14 o  533.362   21.672 117118.60  9385.50 112255.80 16419.31 119478.50 11438.44  512.503   39.768  536.977   26.235 -24.47437 47.64188 
1 1 1   25    5   15 o  185.930   9.6895 14119.74  1457.74 14839.04  1828.20 12864.06  2415.49  190.337   11.889  176.288   17.090 14.04935 20.81836 
1 1 1   25    5   16 o   59.119   11.151  1473.60  515.631  704.821  662.953  2650.80  820.367   43.779   15.226   79.449   13.179 -35.66970 20.13719 
1 1 1   25    5   17 o  146.320   8.0666  8757.58  954.661  9406.22  1351.52  8111.67  1348.67  151.171   11.088  140.158   11.966 11.01302 16.31318 
1 1 1   25    5   18 o  175.317   8.8341 12604.00  1253.51 12742.77  1808.58 12475.71  1738.94  175.333   12.792  173.579   12.420 1.753693 17.82972 
1 1 1   25    5   19 o  132.705   8.5878  7244.14  920.401  7436.57  1329.53  7067.04  1275.44  133.536   12.404  130.202   12.207 3.333847 17.40290 
1 1 1   25    5   20 o   69.345   11.291  2038.94  613.862  2323.56  821.556  1679.17  923.647   73.334   14.311   61.963   17.557 11.37108 22.65087 
1 1 1   25    5   21 o   28.289   12.388 -100.9894  542.839  340.291  644.580 -1177.3430  1006.69   36.782   14.554   30.893   14.693 5.889656 20.68078 
1 1 1   25    5   22 o   22.863   10.664 -433.5992  485.928 -475.8618  567.162 -316.9462  942.273   24.906   11.584   35.327   15.846 -10.42103 19.62868 
1 1 1   25    5   23 o   55.415   16.688  1392.31  812.568  1261.33  888.937  2057.88  2003.80   53.372   17.641   67.664   25.977 -14.29235 31.40065 
1 1 1   25    5   24 o   51.346   16.157  1218.01  751.425  1260.18  797.147  881.683  2251.09   52.142   16.667   57.491   25.200 -5.348957 30.21339 
1 1 1   25    7    0 o  996.677   69.901 417986.00 56210.60   0.0000   0.0000 417986.00 56210.60  ?   ?   996.677   69.901 0.000000 69.90078 
1 1 1   25    7    1 o  395.392   20.031 63791.54  6409.76 67067.11  9093.06 60556.44  9036.73  404.513   27.854  384.093   29.194 20.42035 40.35074 
1 1 1   25    7    2 o  716.906   28.476 209660.91 16576.21 206039.20 28814.33 211452.30 20265.33  705.309   50.652  719.126   34.706 -13.81683 61.40127 
1 1 1   25    7    3 o  436.802   17.431 77592.09  6182.10 44177.86 10585.04 94890.32  7616.01  325.865   40.907  482.945   19.422 -157.0797 45.28321 
1 1 1   25    7    4 o  545.873   22.673 121315.90 10049.22 152163.59 17304.34 105618.40 12344.07  609.152   35.135  507.914   30.065 101.2374 46.24273 
1 1 1   25    7    5 o  778.643   25.301 247048.59 15996.21 261781.20 22632.03 232341.80 22612.10  800.211   34.832  753.546   36.957 46.66486 50.78463 
1 1 1   25    7    6 o  506.927   17.526 104540.30  7213.79 112467.10 10220.57 96671.27 10183.21  525.331   23.961  486.211   25.887 39.12030 35.27444 
1 1 1   25    7    7 o  194.332   7.8018 15340.15  1231.06 17008.19  1764.07 13756.64  1718.79  204.299   10.671  183.606   11.589 20.69357 15.75354 
1 1 1   25    7    8 o  779.956   26.178 249050.00 16578.23 244605.00 23471.34 253475.20 23419.06  769.573   37.562  783.669   36.804 -14.09595 52.58773 
1 1 1   25    7    9 o  285.588   11.878 33187.27  2754.46 31952.17  3384.28 35610.97  4740.82  279.642   14.959  294.565   19.939 -14.92236 24.92648 
1 1 1   25    7   10 o  218.645   12.862 19534.18  2273.35 18139.14  3331.55 20749.75  3109.88  209.709   19.800  224.822   17.166 -15.11302 26.20490 
1 1 1   25    7   11 o  307.078   13.359 38423.64  3330.94 34099.52  5933.43 40413.52  4025.03  286.755   25.758  314.306   15.822 -27.55130 30.22953 
1 1 1   25    7   12 o  326.571   17.507 43731.02  4625.28 41106.09  6681.44 46146.48  6409.31  314.584   26.402  334.124   23.780 -19.53992 35.53206 
1 1 1   25    7   13 o  342.526   14.042 47886.35  3905.45 41767.34  4810.22 59721.67  6689.82  318.715   18.669  380.513   21.743 -61.79800 28.65798 
1 1 1   25    7   14 o  393.309   16.356 63333.37  5223.46 64430.47  6430.13 61204.66  8956.83  395.368   20.096  382.183   29.081 13.18555 35.34941 
1 1 1   25    7   15 o  351.001   12.982 50341.39  3700.00 51800.82  5272.00 48924.80  5194.06  354.454   18.381  344.370   18.645 10.08344 26.18212 
1 1 1   25    7   16 o  418.871   15.268 72100.80  5192.91 74811.38  7382.21 69445.80  7306.15  423.647   21.532  407.826   22.147 15.82129 30.88815 
1 1 1   25    7   17 f  128.704   8.2799  6787.94  860.687  6992.87  1231.39  6592.19  1203.48  130.032   11.791  126.203   11.884 3.829529 16.74126 
1 1 1   25    7   18 o  297.312   11.476 36376.76  2770.29 38860.90  3960.25 33996.38  3876.66  304.952   16.050  284.764   16.841 20.18784 23.26447 
1 1 1   25    7   19 o   86.108   9.3245  3078.74  641.525  3437.26  898.437  2705.79  916.335   90.266   12.602   79.335   14.768 10.93079 19.41423 
1 1 1   25    7   20 f   49.687   13.210  1067.06  542.148  1352.97  684.532  585.924  888.006   55.750   14.854   44.574   17.244 11.17650 22.75982 
1 1 1   25    7   21 o   46.069   14.464  896.126  602.545  391.900  784.213  1622.78  941.424   40.033   15.986   60.580   17.898 -20.54684 23.99752 
1 1 1   25    7   22 o  116.881   9.8294  5725.77  924.180  6303.60  1227.44  4969.41  1404.31  121.481   12.628  105.648   16.943 15.83322 21.13178 
1 1 1   25    7   23 o  127.333   10.584  6888.96  1084.34  7871.15  1513.31  5852.57  1554.50  133.926   14.130  113.107   17.491 20.81906 22.48494 
1 1 1   25    7   24 o   52.001   15.516  1262.22  704.886  1667.17  909.171  652.008  1116.06   58.752   17.643   45.811   18.783 12.94075 25.76969 
1 1 1   25    9    0 o  431.589   21.332 75825.82  7475.64   0.0000   0.0000 75825.82  7475.64  ?   ?   431.589   21.332 0.000000 21.33240 
1 1 1   25    9    1 o  409.589   20.747 68451.86  6877.21   0.0000   0.0000 68451.86  6877.21  ?   ?   409.589   20.747 0.000000 20.74652 
1 1 1   25    9    2 o  1315.54   93.362 740306.12 99079.23   0.0000   0.0000 740306.12 99079.23  ?   ?   1315.54   93.362 0.000000 93.36226 
1 1 1   25    9    3 o  242.423   11.084 23875.84  2181.85 22993.11  3894.01 24279.80  2634.19  236.827   20.451  244.064   13.343 -7.237152 24.41859 
1 1 1   25    9    4 f  783.502   30.943 250636.70 19685.45 260047.80 34225.27 245984.09 24064.40  791.921   53.541  775.044   38.239 16.87714 65.79418 
1 1 1   25    9    5 o  1100.24   36.213 495774.91 32350.96 519499.00 45746.50 472041.09 45755.83  1121.75   50.225  1068.37   52.745 53.37805 72.83311 
1 1 1   25    9    6 o  945.420   31.635 365952.00 24284.43 392760.59 34345.14 339148.81 34341.60  975.845   43.346  904.444   46.924 71.40094 63.88046 
1 1 1   25    9    7 o  438.039   17.036 78158.70  6059.26 94540.38 10644.98 70306.99  7369.66  479.733   27.442  414.426   21.979 65.30695 35.15898 
1 1 1   25    9    8 o  412.488   17.070 69379.64  5717.31 66201.42 10065.39 70893.50  6946.77  399.715   31.262  416.557   20.539 -16.84149 37.40498 
1 1 1   25    9    9 o  518.771   24.848 110459.80 10466.72 121816.70 14948.75 99537.65 14659.83  541.158   34.197  487.834   37.292 53.32376 50.59770 
1 1 1   25    9   10 o  955.964   47.537 387501.81 36899.09 387809.09 52315.11 387197.50 52052.26  932.067   69.629  931.724   69.300 0.3428955 98.23773 
1 1 1   25    9   11 o  240.839   11.437 23616.46  2236.54 22984.36  2752.60 24844.49  3836.70  236.967   14.374  245.613   19.396 -8.646027 24.14167 
1 1 1   25    9   12 o  141.696   10.656  8220.45  1217.06  9218.70  1894.34  7518.77  1588.21  149.391   15.859  134.930   14.736 14.46136 21.64888 
1 1 1   25    9   13 o  714.798   23.730 210829.50 13772.71 208309.41 19516.04 213329.70 19439.30  704.480   34.118  713.295   33.564 -8.814941 47.86001 
1 1 1   25    9   14 o  416.694   15.519 71069.08  5250.88 71377.99  7460.93 70765.89  7391.29  415.276   22.207  413.526   22.093 1.749146 31.32506 
1 1 1   25    9   15 f  464.795   16.978 88787.07  6407.62 94429.50  9107.71 83257.13  9016.47  476.672   23.532  446.295   24.982 30.37698 34.31949 
1 1 1   25    9   16 o  399.366   15.100 65648.33  4896.66 67068.90  6963.77 64259.02  6886.71  400.338   21.502  391.711   21.738 8.627716 30.57540 
1 1 1   25    9   17 o  282.811   11.213 32825.10  2574.87 35984.79  3698.08 29851.94  3587.27  294.275   15.532  267.513   16.597 26.76138 22.73107 
1 1 1   25    9   18 o  218.056   9.5716 19502.50  1694.68 20513.87  2452.67 18578.53  2344.29  222.074   13.668  211.273   13.740 10.80112 19.38095 
1 1 1   25    9   19 o  191.146   8.9885 15001.87  1395.05 15440.90  1996.19 14582.75  1950.41  192.401   12.852  186.926   12.930 5.475052 18.23050 
1 1 1   25    9   20 o  147.315   9.2194  8974.73  1097.22  9150.62  1501.59  8773.23  1607.19  147.583   12.653  143.982   13.921 3.601624 18.81223 
1 1 1   25    9   21 o   37.588   12.943  549.357  478.520  711.083  562.316  124.765  911.124   41.924   14.036   39.076   16.564 2.848309 21.71156 
1 1 1   25    9   22 o  122.790   9.9905  6335.00  987.432  7761.23  1280.12  4239.70  1551.60  135.133   11.785   95.059   20.690 40.07419 23.81068 
1 1 1   25    9   23 o  103.395   10.885  4584.28  900.080  4417.16  1122.20  4885.70  1507.08   99.633   14.280  101.711   18.946 -2.078117 23.72460 
1 1 1   25    9   24 o   41.363   14.233  740.565  578.572  1050.77  639.411 -660.7894  1359.03   47.683   14.888   38.430   17.894 9.252808 23.27733 
1 1 1   25   11    0 o  667.805   32.351 182179.09 17541.93   0.0000   0.0000 182179.09 17541.93  ?   ?   667.805   32.351 0.000000 32.35112 
1 1 1   25   11    1 o  316.371   13.759 40680.91  3534.39 40595.62  6159.88 40722.77  4315.43  314.737   24.292  315.995   16.880 -1.258728 29.58101 
1 1 1   25   11    2 o  408.471   20.671 68087.10  6833.52 77214.77  9701.41 59098.66  9627.13  434.229   27.660  379.097   31.563 55.13223 41.96725 
1 1 1   25   11    3 o  671.115   28.086 183790.41 15304.56 163991.91 26668.13 193513.30 18688.42  627.797   52.806  687.903   33.459 -60.10516 62.51401 
1 1 1   25   11    4 f  1173.88   42.881 567035.50 40871.65 672521.38 70941.51 514625.50 50004.66  1263.06   69.440  1113.37   55.314 149.6892 88.77769 
1 1 1   25   11    5 o  848.648   34.818 295644.91 23992.14 285747.59 41720.55 300535.19 29326.44  821.966   62.991  853.398   42.322 -31.43207 75.88794 
1 1 1   25   11    6 o  428.017   18.018 74661.39  6261.99 71724.22 11013.18 76064.63  7612.24  416.424   32.838  431.093   21.818 -14.66867 39.42550 
1 1 1   25   11    7 o  488.820   35.446 99322.55 13973.11 99322.55 13973.11   0.0000   0.0000  488.820   35.446  ?   ?  0.000000 35.44600 
1 1 1   25   11    8 o  649.573   23.954 173040.09 12634.24 171656.50 15464.26 175817.41 21909.98  645.295   29.514  646.866   41.941 -1.571167 51.28475 
1 1 1   25   11    9 o  259.602   11.815 27434.34  2490.52 28071.66  3043.20 26141.80  4333.86  262.044   14.357  251.757   21.404 10.28667 25.77328 
1 1 1   25   11   10 o  347.373   13.619 49183.94  3841.25 51597.32  5441.92 46787.49  5422.82  354.640   18.967  337.479   19.877 17.16055 27.47487 
1 1 1   25   11   11 o  454.452   16.479 84396.54  6080.60 83348.85  8620.88 85433.78  8577.82  449.459   23.706  455.188   23.287 -5.728943 33.23019 
1 1 1   25   11   12 o  155.829   9.4797  9919.09  1193.75  6989.30  2277.98 11028.26  1401.62  128.479   22.665  164.226   10.567 -35.74695 25.00711 
1 1 1   25   11   13 o  610.090   21.978 153430.00 10887.07 152420.70 15431.47 154430.30 15362.04  602.459   31.657  606.656   31.293 -4.197449 44.51309 
1 1 1   25   11   14 o  193.307   8.8626 15215.78  1391.07 16653.85  1974.42 13798.35  1960.20  201.618   12.117  183.277   13.262 18.34065 17.96358 
1 1 1   25   11   15 o  207.969   8.7243 17626.21  1473.22 19308.40  2097.06 15987.00  2070.09  216.984   11.949  197.188   13.002 19.79585 17.65868 
1 1 1   25   11   16 o   80.991   7.9689  2700.78  517.262  3870.18  693.444  1233.93  776.645   96.956   8.9081   54.314   16.305 42.64219 18.57995 
1 1 1   25   11   17 o  213.383   9.3288 18643.68  1616.30 21986.24  2338.07 15584.19  2236.88  230.612   12.533  193.477   14.341 37.13541 19.04602 
1 1 1   25   11   18 o  131.943   8.3195  7155.72  886.730  7990.02  1245.83  6299.11  1262.38  138.798   11.149  122.684   12.864 16.11496 17.02270 
1 1 1   25   11   19 o  219.845   9.8178 19911.93  1752.54 20191.25  2498.50 19641.40  2458.91  219.277   14.108  216.274   14.079 3.002991 19.93110 
1 1 1   25   11   20 o  108.402   8.5700  4866.32  748.172  4458.06  974.151  5453.48  1168.25  102.784   11.892  113.449   12.912 -10.66524 17.55419 
1 1 1   25   11   21 o   68.779   10.182  2007.72  551.469  2480.51  626.870  389.390  1159.78   76.540   10.352   45.784   18.997 30.75560 21.63451 
1 1 1   25   11   22 o   54.004   13.019  1294.38  564.197  823.435  656.280  2628.28  1104.50   44.535   15.163   75.202   18.269 -30.66725 23.74153 
1 1 1   25   11   23 o   77.202   12.103  2623.30  733.722  2773.21  898.669  2323.56  1270.71   78.062   14.718   68.251   20.935 9.810257 25.59106 
1 1 1   25   11   24 o   58.879   13.160  1603.90  613.318  1418.74  698.072  2230.57  1284.23   54.440   15.207   64.559   21.197 -10.11898 26.08730 
1 1 1   25   13    0 o  355.427   18.618 51556.86  5354.43   0.0000   0.0000 51556.86  5354.43  ?   ?   355.427   18.618 0.000000 18.61819 
1 1 1   25   13    1 o  535.666   21.658 116903.50  9419.95 111268.00 16366.79 119695.10 11519.14  519.114   39.117  541.583   26.195 -22.46936 47.07773 
1 1 1   25   13    2 o  318.253   14.007 41185.38  3619.55 43548.62  6271.68 40005.13  4432.17  325.903   23.866  313.034   17.508 12.86899 29.59949 
1 1 1   25   13    3 o  737.024   35.648 223141.41 21332.91 239024.20 30232.05 207389.80 30106.92  757.228   49.442  703.711   53.081 53.51691 72.54037 
1 1 1   25   13    4 f  1046.62   50.668 457407.59 43059.00 498628.00 60958.00 416358.31 60831.44  1077.33   70.067  978.367   77.202 98.96252 104.2571 
1 1 1   25   13    5 o  310.161   16.822 39317.85  4220.56 39159.41  6046.98 39468.34  5893.52  308.411   24.345  309.759   23.610 -1.347778 33.91357 
1 1 1   25   13    6 o  352.455   26.955 51309.40  7655.44 51309.40  7655.44   0.0000   0.0000  352.455   26.955  ?   ?  0.000000 26.95466 
1 1 1   25   13    7 o  108.425   7.9831  4804.11  697.872  4622.65  1474.39  4856.50  792.240  104.954   17.946  108.918   9.0398 -3.964111 20.09420 
1 1 1   25   13    8 o  240.799   14.329 23717.70  2788.93 20948.38  4072.31 26163.88  3827.36  224.937   22.603  252.303   18.818 -27.36655 29.41081 
1 1 1   25   13    9 o  153.915   8.8128  9665.10  1096.80 12470.46  2121.06  8641.18  1281.42  174.185   15.148  145.297   10.942 28.88771 18.68641 
1 1 1   25   13   10 o  119.944   6.2997  5862.35  611.388  4507.37  831.563  7456.56  901.990  104.783   9.8909  135.162   8.2584 -30.37963 12.88531 
1 1 1   25   13   11 o  181.692   8.2110 13426.63  1211.35 13780.01  1692.77 13055.75  1734.19  183.562   11.414  178.580   12.030 4.981857 16.58302 
1 1 1   25   13   12 o  241.924   11.508 23857.59  2260.59 24274.05  4232.77 23691.40  2673.85  241.829   21.790  240.487   13.750 1.342834 25.76623 
1 1 1   25   13   13 o  233.853   9.3943 22271.73  1783.79 21510.45  2533.59 23020.01  2511.88  229.018   13.687  237.043   13.102 -8.024826 18.94715 
1 1 1   25   13   14 o  172.198   7.8394 12071.37  1096.10 12215.26  1522.55 11916.56  1579.25  172.660   10.917  170.445   11.478 2.215454 15.84027 
1 1 1   25   13   15 o   50.065   9.4147  1056.34  368.667  715.096  462.505  1650.99  610.543   41.632   12.602   62.384   12.489 -20.75141 17.74205 
1 1 1   25   13   16 o   92.392   7.4400  3504.47  553.412  3357.94  741.028  3689.25  832.162   89.954   10.333   94.195   11.093 -4.240364 15.16008 
1 1 1   25   13   17 o   74.860   8.3855  2320.94  500.952  2787.40  638.621  1574.78  807.700   81.857   9.8033   60.361   16.159 21.49675 18.90043 
1 1 1   25   13   18 o  130.228   8.1357  6974.39  855.961  6965.82  1157.04  6984.75  1272.16  129.436   11.117  129.286   12.265 0.1497498 16.55374 
1 1 1   25   13   19 o  111.846   8.7361  5174.45  787.073  5138.44  995.440  5234.52  1285.58  110.794   11.220  110.692   14.665 0.1024933 18.46456 
1 1 1   25   13   20 o   92.064   9.1034  3533.67  671.591  3541.08  826.476  3519.24  1152.30   91.504   11.369   89.363   16.488 2.140984 20.02756 
1 1 1   25   13   21 o   58.100   11.384  1463.11  517.833  1371.58  592.376  1759.70  1066.30   55.750   13.276   62.285   19.190 -6.534855 23.33465 
1 1 1   25   13   22 o   68.989   11.091  2061.60  600.208  2107.19  689.177  1918.43  1221.29   69.112   12.751   63.645   20.660 5.467461 24.27786 
1 1 1   25   13   23 o  118.039   10.352  5995.42  982.126  6502.76  1243.11  5152.78  1602.07  121.191   12.828  101.941   20.069 19.24939 23.81878 
1 1 1   25   15    0 o  468.066   34.058 90590.99 12855.05   0.0000   0.0000 90590.99 12855.05  ?   ?   468.066   34.058 0.000000 34.05779 
1 1 1   25   15    1 o  422.763   22.057 73180.81  7545.22 68526.84 10739.27 77717.55 10603.14  406.955   32.778  434.120   30.270 -27.16541 44.61725 
1 1 1   25   15    2 o   77.915   11.973  2526.45  733.208  2743.52  1027.94  2301.62  1046.13   80.632   16.262   73.679   17.706 6.953438 24.04096 
1 1 1   25   15    3 o  418.666   31.216 72539.17 10535.50 72539.17 10535.50   0.0000   0.0000  418.666   31.216  ?   ?  0.000000 31.21636 
1 1 1   25   15    4 o   63.576   8.0627  1668.94  406.856  1737.97  880.778  1650.22  458.730   64.113   16.739   63.047   9.2347 1.065525 19.11733 
1 1 1   25   15    5 o  344.599   15.042 48404.94  4208.87 45694.21  7549.24 49627.54  5069.94  331.972   28.276  348.165   17.996 -16.19305 33.51698 
1 1 1   25   15    6 o  235.996   10.673 22659.88  2045.19 23019.00  3823.04 22515.91  2420.70  236.374   20.110  234.794   12.745 1.579346 23.80890 
1 1 1   25   15    7 o  538.885   27.205 119961.00 11865.14 120372.10 16919.27 119563.10 16643.81  534.905   39.229  533.345   38.697 1.560608 55.10289 
1 1 1   25   15    8 o  230.361   11.589 21661.80  2160.69 17413.11  4037.80 23366.57  2557.70  204.272   24.857  239.085   13.227 -34.81288 28.15676 
1 1 1   25   15    9 o  419.560   17.718 72010.28  6036.10 68623.55 10751.56 73569.05  7294.08  404.577   33.017  422.845   21.313 -18.26862 39.29840 
1 1 1   25   15   10 o  187.315   9.6539 14318.32  1463.30 16814.28  2800.31 13380.78  1716.26  201.981   17.240  180.830   11.753 21.15030 20.86487 
1 1 1   25   15   11 o  493.751   20.791 100278.70  8335.43 91730.47 14770.64 104273.00 10096.79  462.906   39.681  502.123   24.765 -39.21756 46.77511 
1 1 1   25   15   12 o  452.863   19.448 84356.13  7151.31 77166.97 12769.71 87641.05  8631.86  424.345   37.446  459.788   23.196 -35.44244 44.04797 
1 1 1   25   15   13 o  138.897   7.7100  7876.18  866.116  8757.57  1173.28  6820.73  1283.93  146.232   9.9405  128.606   12.451 17.62631 15.93260 
1 1 1   25   15   14 o  201.014   8.5973 16473.32  1403.22 16342.00  1988.15 16603.68  1980.78  199.398   12.340  201.023   12.193 -1.625626 17.34805 
1 1 1   25   15   15 o  309.155   11.510 39210.37  2889.33 42672.64  4149.44 35951.63  4025.63  320.994   15.920  293.796   16.947 27.19806 23.25222 
1 1 1   25   15   16 o   18.692   8.4197 -137.3546  269.187   64.062  305.710 -832.4611  567.920   23.670   9.7816   22.320   10.728 1.350237 14.51768 
1 1 1   25   15   17 o  169.641   8.2205 11784.13  1132.32 12016.03  1584.47 11542.09  1618.78  170.231   11.531  166.668   12.043 3.562790 16.67332 
1 1 1   25   15   18 o  125.946   8.7906  6547.94  893.319  6848.62  1172.11  6131.23  1379.84  128.118   11.386  120.182   14.429 7.936935 18.37992 
1 1 1   25   15   19 o  228.871   10.517 21717.46  1954.35 22776.04  2789.03 20696.23  2739.37  231.547   14.914  220.355   15.408 11.19269 21.44330 
1 1 1   25   15   20 o   28.134   11.142  189.611  378.096 -232.5734  419.093  2036.28  876.503   22.863   10.382   67.463   16.204 -44.59978 19.24470 
1 1 1   25   15   21 o  116.522   9.4549  5700.01  886.836  6376.15  1122.63  4577.72  1446.34  122.381   11.430   99.811   18.529 22.56910 21.77048 
1 1 1   25   15   22 o   31.713   11.489  371.824  380.877  564.467  400.733 -1428.8700  1225.17   36.520   11.833   32.888   15.794 3.632172 19.73462 
1 1 1   25   15   23 o   31.669   12.382  313.746  461.573  375.212  507.828   21.700  1106.94   33.600   13.029   39.257   17.419 -5.656815 21.75257 
1 1 1   25   17    0 o  1164.76   59.035 585790.31 55650.17   0.0000   0.0000 585790.31 55650.17  ?   ?   1164.76   59.035 0.000000 59.03527 
1 1 1   25   17    1 o  930.899   46.256 365270.81 34962.86   0.0000   0.0000 365270.81 34962.86  ?   ?   930.899   46.256 0.000000 46.25580 
1 1 1   25   17    2 o  427.748   18.276 74739.59  6347.69 67633.82 11020.03 78267.89  7765.34  402.536   34.035  436.596   21.975 -34.05984 40.51305 
1 1 1   25   17    3 f  395.852   17.324 63980.59  5568.33 63880.68  9639.09 64030.63  6821.75  392.088   30.518  394.863   21.356 -2.775421 37.24803 
1 1 1   25   17    4 o  260.541   15.406 27782.79  3244.56 26831.24  4705.46 28645.29  4479.86  254.753   22.996  263.653   21.103 -8.899567 31.21152 
1 1 1   25   17    5 o  184.668   9.7404 13910.44  1455.35 14549.54  2869.20 13689.05  1688.72  187.658   19.096  183.027   11.420 4.631317 22.25066 
1 1 1   25   17    6 o  248.523   15.063 25290.06  3025.25 24593.35  4413.75 25907.39  4154.69  243.772   22.555  250.637   20.597 -6.865021 30.54451 
1 1 1   25   17    7 f  338.398   14.131 46707.48  3882.77 50031.49  7089.55 45283.27  4640.62  347.580   25.294  332.382   17.254 15.19754 30.61843 
1 1 1   25   17    8 o  871.711   35.983 318667.31 25468.81 305695.50 44486.24 324992.19 31063.39  819.759   67.433  872.531   43.988 -52.77197 80.51116 
1 1 1   25   17    9 o  193.002   9.4045 15160.34  1473.79 21701.92  2971.94 13027.01  1697.18  229.831   16.026  178.398   11.783 51.43280 19.89129 
1 1 1   25   17   10 o   88.198   9.7062  3205.38  683.595  1784.37  1521.62  3564.71  765.158   68.142   23.088   92.985   10.308 -24.84315 25.28485 
1 1 1   25   17   11 o  333.854   14.456 45582.96  3918.66 48591.78  7198.15 44315.65  4671.59  340.935   26.203  328.149   17.597 12.78616 31.56333 
1 1 1   25   17   12 o  187.369   10.208 14357.37  1547.23 19348.60  3171.39 12798.27  1772.48  216.062   18.248  176.546   12.444 39.51622 22.08739 
1 1 1   25   17   13 o  169.901   10.797 11840.89  1481.74 13638.74  3478.30 11442.30  1637.78  178.839   24.605  166.769   12.179 12.06940 27.45430 
1 1 1   25   17   14 o  177.559   10.917 12962.03  1566.29 19981.61  3736.38 11465.51  1725.19  217.154   21.472  166.537   12.858 50.61722 25.02739 
1 1 1   25   17   15 o   75.540   13.509  2425.86  798.176  2019.57  2807.33  2461.60  832.535   78.796   30.611   75.995   14.008 2.801079 33.66409 
1 1 1   25   17   16 o   21.040   10.276 -1071.4460  577.782 -3799.1340  2707.31 -941.2814  591.408   47.850   23.105   22.248   10.756 25.60287 25.48584 
1 1 1   25   17   17 o  203.964   12.234 17319.16  2016.80 19535.57  4882.19 16863.11  2214.59  204.655   30.295  200.633   13.676 4.021713 33.23913 
1 1 1   25   17   18 f  125.224   12.796  6614.02  1282.82 10614.92  3524.28  6002.97  1377.30  148.218   30.306  118.567   14.616 29.65129 33.64672 
1 1 1   25   17   19 o  184.097   9.6757 14080.42  1441.26 14722.67  2000.56 13387.37  2078.17  186.400   13.305  176.955   14.594 9.444305 19.74884 
1 1 1   25   17   20 o   94.752   17.343  4045.38  1285.15 -682.9914  4714.51  4424.93  1335.73   71.338   33.253   99.276   17.193 -27.93779 37.43508 
1 1 1   25   17   21 o   92.322   20.030  4080.03  1458.32   0.0000   0.0000  4080.03  1458.32  ?   ?    92.322   20.030 0.000000 20.02991 
1 1 1   25   17   22 o  119.687   10.351  6164.82  995.987  7871.49  1248.51  3177.79  1651.72  134.434   11.550   76.365   23.942 58.06882 26.58261 
1 1 1   25   19    0 o  313.068   17.643 40180.43  4466.68   0.0000   0.0000 40180.43  4466.68  ?   ?   313.068   17.643 0.000000 17.64342 
1 1 1   25   19    1 o  147.109   12.767  8882.33  1509.86   0.0000   0.0000  8882.33  1509.86  ?   ?   147.109   12.767 0.000000 12.76688 
1 1 1   25   19    2 o  160.895   10.624 10581.09  1380.13 12156.21  2476.56  9871.58  1662.15  171.507   18.055  155.069   13.331 16.43788 22.44304 
1 1 1   25   19    3 o  112.802   10.792  5226.21  976.376  5821.38  1732.03  4948.98  1182.10  117.870   18.723  109.352   13.608 8.518303 23.14592 
1 1 1   25   19    4 o  127.953   12.623  6735.22  1294.40  6969.64  1959.44  6553.72  1724.16  129.093   19.285  125.450   17.395 3.642784 25.97067 
1 1 1   25   19    5 o  221.536   14.446 20108.87  2584.38 19875.59  3818.04 20306.12  3510.96  218.975   21.762  221.762   19.704 -2.786560 29.35679 
1 1 1   25   19    6 o  555.432   19.872 126512.60  8962.13 147206.70 15949.14 116963.10 10834.41  592.974   33.260  532.490   25.059 60.48407 41.64303 
1 1 1   25   19    7 o  221.179   9.9014 19914.38  1778.19 25105.71  3573.76 18206.24  2049.97  246.949   17.946  211.009   12.015 35.94002 21.59619 
1 1 1   25   19    8 o  545.708   23.086 122827.00 10229.28 119089.00 18200.49 124553.00 12367.43  525.796   43.008  546.876   27.945 -21.08075 51.28919 
1 1 1   25   19    9 o  274.305   13.031 30717.88  2902.29 28316.90  5510.13 31639.75  3414.31  259.871   26.484  277.708   15.199 -17.83640 30.53530 
1 1 1   25   19   10 o  166.647   10.130 11358.66  1364.20 12193.27  2991.19 11139.46  1532.90  170.423   22.139  164.845   11.525 5.578156 24.95929 
1 1 1   25   19   11 o  284.562   13.027 33119.43  3010.04 35620.34  5806.10 32200.21  3520.02  291.343   24.779  279.727   15.559 11.61646 29.25911 
1 1 1   25   19   12 o  399.330   17.855 65905.04  5789.29 61896.25 10660.69 67581.70  6894.47  376.134   35.320  402.423   21.174 -26.28870 41.18079 
1 1 1   25   19   13 o  248.443   12.607 25423.76  2534.78 27068.77  5188.87 24908.15  2904.99  250.813   25.850  245.288   14.653 5.524628 29.71362 
1 1 1   25   19   14 o  261.815   13.316 28379.62  2821.38 29093.77  5894.70 28167.41  3213.35  256.293   28.826  260.034   15.286 -3.740601 32.62862 
1 1 1   25   19   15 o  166.801   11.305 11516.98  1522.06 12874.69  3693.64 11239.27  1670.48  168.806   27.924  164.385   12.611 4.421661 30.64016 
1 1 1   25   19   16 o   88.225   13.924  3319.37  964.390  8015.01  3518.45  2937.94  1002.79  128.260   33.441   82.424   15.554 45.83652 36.88097 
1 1 1   25   19   17 o  114.555   13.033  5546.67  1190.69  6664.94  3532.16  5403.31  1264.71  114.603   34.856  112.661   14.137 1.941391 37.61329 
1 1 1   25   19   18 o  102.520   13.486  4495.64  1095.34 12118.43  3734.47  3778.15  1145.73  156.749   30.439   92.999   15.734 63.75034 34.26499 
1 1 1   25   19   19 o   51.139   18.115  1056.25  941.274 -5226.9521  3756.88  1477.09  972.286   52.812   25.880   57.783   18.401 -4.970230 31.75430 
1 1 1   25   19   20 o   69.047   18.418  2232.35  1051.66   0.0000   0.0000  2232.35  1051.66  ?   ?    69.047   18.418 0.000000 18.41833 
1 1 1   25   19   21 o   94.247   19.056  4285.52  1408.12   0.0000   0.0000  4285.52  1408.12  ?   ?    94.247   19.056 0.000000 19.05565 
1 1 1   25   19   22 o   79.207   28.062  4093.30  2258.88   0.0000   0.0000  4093.30  2258.88  ?   ?    79.207   28.062 0.000000 28.06189 
1 1 1   25   21    0 o  109.225   12.961  4931.61  1127.00   0.0000   0.0000  4931.61  1127.00  ?   ?   109.225   12.961 0.000000 12.96052 
1 1 1   25   21    1 o  185.916   13.908 14179.50  2084.30   0.0000   0.0000 14179.50  2084.30  ?   ?   185.916   13.908 0.000000 13.90794 
1 1 1   25   21    2 o  567.068   23.847 132465.00 10979.99 125202.30 19151.90 136021.00 13401.04  540.464   44.025  571.992   28.949 -31.52826 52.68963 
1 1 1   25   21    3 o  326.218   15.250 43469.82  4039.46 41788.97  7071.31 44284.00  4921.49  316.471   27.800  328.272   18.540 -11.80087 33.41542 
1 1 1   25   21    4 o  235.205   12.611 22621.42  2399.74 23599.33  4187.88 22143.35  2928.15  238.579   21.861  232.253   15.618 6.326309 26.86721 
1 1 1   25   21    5 f   94.615   14.196  3735.22  1056.97  3913.23  1749.92  3632.97  1326.23   95.582   22.856   92.572   18.293 3.009918 29.27536 
1 1 1   25   21    6 o  203.986   12.427 17034.94  2048.51 12094.67  4077.48 18702.85  2369.21  167.672   31.095  213.585   13.734 -45.91301 33.99269 
1 1 1   25   21    7 o  400.416   16.266 65657.80  5288.40 74985.15  9750.21 61770.16  6294.75  423.264   28.537  387.004   20.101 36.26001 34.90579 
1 1 1   25   21    8 o   82.114   9.9159  2786.61  647.749 -3000.5039  1921.05  3528.97  688.041   40.315   19.466   92.632   9.2723 -52.31714 21.56114 
1 1 1   25   21    9 o   63.110   11.359  1674.58  560.689  4553.02  1538.48  1233.71  602.098  103.585   18.992   53.894   13.723 49.69115 23.43060 
1 1 1   25   21   10 o  102.048   9.9048  4287.21  810.370  7608.05  2179.62  3754.54  872.947  134.050   20.691   95.180   11.531 38.87077 23.68720 
1 1 1   25   21   11 o  219.989   12.135 19884.77  2159.15 19286.89  4634.57 20050.51  2440.14  211.499   27.649  220.550   13.694 -9.051025 30.85458 
1 1 1   25   21   12 o  164.045   11.188 11084.71  1481.39  5658.88  3811.52 12050.15  1607.79  112.378   36.499  170.970   11.651 -58.59153 38.31322 
1 1 1   25   21   13 f   53.825   14.631  1240.92  656.213  2893.11  2710.93  1138.09  676.326   85.114   30.679   51.835   15.129 33.27868 34.20638 
1 1 1   25   21   14 o  195.682   12.129 15877.51  1917.69 17097.42  4753.86 15640.42  2095.78  192.418   31.519  193.765   13.403 -1.346741 34.25027 
1 1 1   25   21   15 f  221.482   12.540 20422.84  2245.91 23995.20  5136.48 19578.42  2497.28  229.331   28.177  216.028   14.318 13.30319 31.60649 
1 1 1   25   21   16 o  160.868   11.873 10811.40  1539.86 15930.80  4213.99 10022.46  1654.26  183.930   29.191  154.286   13.336 29.64410 32.09353 
1 1 1   25   21   17 o  122.022   13.456  6334.92  1310.98  2993.23  4052.58  6725.50  1385.48   87.032   35.752  125.616   13.812 -38.58402 38.32668 
1 1 1   25   21   18 o   75.043   16.975  2535.68  1010.10  7139.24  4768.74  2319.43  1033.55  108.688   40.435   71.449   17.863 37.23926 44.20490 
1 1 1   25   21   19 o   92.693   16.943  3893.97  1228.21   0.0000   0.0000  3893.97  1228.21  ?   ?    92.693   16.943 0.000000 16.94326 
1 1 1   25   21   20 o   65.227   20.260  2075.73  1185.89   0.0000   0.0000  2075.73  1185.89  ?   ?    65.227   20.260 0.000000 20.26044 
1 1 1   25   21   21 o   85.271   20.177  3718.54  1375.22   0.0000   0.0000  3718.54  1375.22  ?   ?    85.271   20.177 0.000000 20.17711 
1 1 1   25   23    0 o  463.887   24.804 89268.70  9308.95   0.0000   0.0000 89268.70  9308.95  ?   ?   463.887   24.804 0.000000 24.80427 
1 1 1   25   23    1 o  395.958   22.114 64808.39  7081.21   0.0000   0.0000 64808.39  7081.21  ?   ?   395.958   22.114 0.000000 22.11357 
1 1 1   25   23    2 o  527.254   27.791 115895.80 11855.78   0.0000   0.0000 115895.80 11855.78  ?   ?   527.254   27.791 0.000000 27.79128 
1 1 1   25   23    3 o  287.927   14.941 33987.65  3480.99 31509.31  6178.62 35140.11  4213.31  273.774   28.198  292.181   17.845 -18.40674 33.37036 
1 1 1   25   23    4 o  398.331   18.052 65116.79  5838.66 63260.79 10208.97 66018.93  7117.60  386.611   32.832  399.456   22.030 -12.84491 39.53788 
1 1 1   25   23    5 o  156.826   12.884 10109.31  1626.06  9432.80  2919.74 10413.48  1957.77  148.907   25.037  158.776   15.379 -9.869293 29.38285 
1 1 1   25   23    6 o  298.203   15.922 36543.78  3841.37 25904.93  7400.18 40467.83  4494.31  243.389   38.745  313.405   17.734 -70.01631 42.61034 
1 1 1   25   23    7 o  263.859   9.7808 28375.99  2095.48 29530.43  3267.27 27569.32  2731.18  268.042   15.073  259.700   12.952 8.342682 19.87365 
1 1 1   25   23    8 o  272.485   14.096 30503.59  3107.99 25530.13  6216.31 32161.18  3588.74  243.086   32.294  279.371   15.886 -36.28459 35.98971 
1 1 1   25   23    9 o  323.757   13.434 42989.98  3531.65 57488.99  7172.18 38349.20  4057.67  369.598   24.030  304.586   16.468 65.01205 29.13119 
1 1 1   25   23   10 f   96.831   10.633  3882.37  822.247 10278.57  3108.33  3401.11  852.620  153.694   25.823   90.313   11.918 63.38038 28.44099 
1 1 1   25   23   11 o   65.384   12.331  1814.82  630.644  2586.96  2481.66  1761.52  652.049   81.590   29.359   64.283   12.940 17.30765 32.08418 
1 1 1   25   23   12 o  168.513   11.158 11731.16  1518.08 13238.71  4239.23 11509.40  1625.91  169.532   31.969  166.654   12.098 2.877304 34.18119 
1 1 1   25   23   13 o   21.736   10.484 -850.6453  553.576  3804.90  3068.90 -1007.2210  562.808   93.137   32.738   20.988   10.226 72.14893 34.29826 
1 1 1   25   23   14 o  160.507   11.408 10709.63  1477.07 16057.92  4481.77 10057.92  1564.48  184.768   30.969  155.148   12.526 29.61940 33.40657 
1 1 1   25   23   15 o  137.296   12.488  7917.72  1376.95  5756.60  3931.30  8219.91  1470.07  106.680   37.079  139.673   13.116 -32.99333 39.33008 
1 1 1   25   23   16 o  103.426   14.640  4610.25  1195.11  2829.14  3974.75  4787.28  1253.09   85.750   35.337  105.238   15.097 -19.48790 38.42678 
1 1 1   25   23   17 o  128.373   12.975  7032.27  1333.91 10763.52  4766.67  6715.24  1389.42  133.571   40.461  124.964   13.930 8.606781 42.79234 
1 1 1   25   23   18 o   39.015   16.564  161.901  913.261   0.0000   0.0000  161.901  913.261  ?   ?    39.015   16.564 0.000000 16.56364 
1 1 1   25   23   19 o  109.135   17.357  5503.32  1486.60   0.0000   0.0000  5503.32  1486.60  ?   ?   109.135   17.357 0.000000 17.35740 
1 1 1   25   23   20 o  103.590   18.980  5263.53  1537.63   0.0000   0.0000  5263.53  1537.63  ?   ?   103.590   18.980 0.000000 18.98026 
1 1 1   25   25    0 o  211.984   16.074 18526.64  2746.12   0.0000   0.0000 18526.64  2746.12  ?   ?   211.984   16.074 0.000000 16.07397 
1 1 1   25   25    1 o  135.887   15.525  7661.44  1682.26   0.0000   0.0000  7661.44  1682.26  ?   ?   135.887   15.525 0.000000 15.52533 
1 1 1   25   25    2 f  257.237   17.719 27316.41  3678.34   0.0000   0.0000 27316.41  3678.34  ?   ?   257.237   17.719 0.000000 17.71887 
1 1 1   25   25    3 o  354.405   17.386 51611.96  5003.19 48597.01  8939.98 52986.85  6037.15  337.247   33.073  357.570   20.885 -20.32266 39.11516 
1 1 1   25   25    4 o  192.174   13.439 15179.95  2083.83 15805.51  3745.36 14899.47  2507.83  193.484   24.382  189.803   16.435 3.680923 29.40355 
1 1 1   25   25    5 o  111.834   15.846  5234.06  1398.62  7716.40  2575.73  4196.10  1665.55  134.080   24.564   98.808   21.381 35.27163 32.56610 
1 1 1   25   25    6 o  389.167   22.407 63255.40  7050.60 65267.34 10437.20 61566.65  9562.26  388.848   33.381  378.912   31.362 9.935974 45.80246 
1 1 1   25   25    7 o  184.046   9.9944 13873.59  1487.95 22891.70  4245.06 12610.44  1588.75  232.896   22.738  175.235   11.225 57.66048 25.35813 
1 1 1   25   25    8 o  308.684   13.658 39201.35  3423.26 53405.82  7263.73 35145.67  3881.32  353.789   25.456  290.964   16.497 62.82425 30.33386 
1 1 1   25   25    9 o  188.557   10.751 14623.73  1639.18 22132.47  4540.14 13498.25  1757.73  226.257   25.138  180.831   12.040 45.42563 27.87281 
1 1 1   25   25   10 o   67.670   11.276  1931.69  597.792  1111.55  3269.12  1960.06  608.045   76.333   31.801   68.152   11.390 8.180687 33.77962 
1 1 1   25   25   11 o  140.952   10.598  8216.32  1204.01 14232.12  4204.41  7678.90  1256.64  176.107   30.508  136.019   11.486 40.08824 32.59851 
1 1 1   25   25   12 o  180.771   11.634 13561.93  1698.63 12411.56  5028.82 13710.08  1804.70  156.333   39.579  181.523   12.317 -25.19029 41.45084 
1 1 1   25   25   13 o   96.219   12.825  3916.91  976.996 -1310.1210  4207.89  4214.75  1004.45   70.920   32.468   99.915   12.665 -28.99443 34.85075 
1 1 1   25   25   14 o   44.257   16.191  697.789  759.154 -4107.5049  4210.61  859.240  771.802   61.416   29.437   47.024   16.424 14.39135 33.70879 
1 1 1   25   25   15 o   43.824   16.963  585.020  859.638  2842.47  3755.18  460.177  883.088   84.564   34.539   42.540   16.971 42.02438 38.48278 
1 1 1   25   25   16 o   76.982   17.387  2679.50  1061.14 -4754.3599  5167.93  3006.71  1084.24   64.674   31.393   81.865   16.872 -17.19098 35.63947 
1 1 1   25   25   17 o   80.613   18.981  3035.06  1221.81   0.0000   0.0000  3035.06  1221.81  ?   ?    80.613   18.981 0.000000 18.98059 
1 1 1   25   25   18 o  124.195   15.396  6929.35  1519.23   0.0000   0.0000  6929.35  1519.23  ?   ?   124.195   15.396 0.000000 15.39553 
1 1 1   25   25   19 o   90.874   19.565  4111.12  1400.91   0.0000   0.0000  4111.12  1400.91  ?   ?    90.874   19.565 0.000000 19.56480 
1 1 1   25   27    0 o  424.739   36.049 78671.86 12315.05   0.0000   0.0000 78671.86 12315.05  ?   ?   424.739   36.049 0.000000 36.04929 
1 1 1   25   27    1 o  152.604   25.333 10008.35  3028.91   0.0000   0.0000 10008.35  3028.91  ?   ?   152.604   25.333 0.000000 25.33288 
1 1 1   25   27    2 o  225.256   24.335 21490.61  4380.12   0.0000   0.0000 21490.61  4380.12  ?   ?   225.256   24.335 0.000000 24.33470 
1 1 1   25   27    3 o   42.388   18.936 -523.0565  1331.09   0.0000   0.0000 -523.0565  1331.09  ?   ?    42.388   18.936 0.000000 18.93605 
1 1 1   25   27    4 f  128.826   19.577  7046.38  1983.31  8766.71  3704.72  6355.26  2348.14  139.559   33.180  120.755   24.779 18.80424 41.41153 
1 1 1   25   27    5 o  207.430   15.575 17865.76  2604.18 17797.01  4846.71 17893.67  3087.76  200.891   30.687  206.624   18.604 -5.733963 35.88569 
1 1 1   25   27    6 o  179.786   15.725 13481.00  2272.40 19500.22  4237.29 11050.99  2692.29  212.595   25.026  160.880   21.121 51.71487 32.74726 
1 1 1   25   27    7 o   48.534   10.085  1000.55  384.469 -1304.7100  3377.22  1030.82  386.984   65.456   29.622   49.288   10.011 16.16759 31.26769 
1 1 1   25   27    8 o  385.503   16.116 61979.72  5044.66 75336.03 10245.29 57705.19  5795.96  409.738   31.025  369.338   19.395 40.40021 36.58842 
1 1 1   25   27    9 o  159.657   10.629 10530.65  1370.00 16564.94  4764.69  9986.81  1430.40  189.063   32.191  155.251   11.427 33.81195 34.15937 
1 1 1   25   27   10 o  299.362   14.147 37346.85  3438.68 44005.11  7710.43 35693.76  3841.91  309.008   31.156  291.014   16.325 17.99411 35.17361 
1 1 1   25   27   11 o   23.276   10.784 -400.6942  484.264 -469.8733  3935.29 -399.6305  487.973   72.207   32.386   23.405   10.837 48.80281 34.15137 
1 1 1   25   27   12 o  114.874   11.825  5537.75  1087.24  3019.74  4302.67  5709.49  1123.71   90.239   36.927  116.589   12.044 -26.34995 38.84107 
1 1 1   25   27   13 o  164.639   12.394 11391.67  1644.69 12090.75  5444.94 11321.49  1725.27  144.299   43.140  163.814   13.080 -19.51575 45.07931 
1 1 1   25   27   14 o   89.979   13.879  3499.00  981.394 -1566.9110  5563.65  3661.69  997.028   75.937   35.632   92.137   13.748 -16.19930 38.19229 
1 1 1   25   27   15 o   69.194   18.742  2201.45  1079.06   49.166  5812.20  2278.28  1098.15   79.215   36.924   70.341   18.847 8.873810 41.45576 
1 1 1   25   27   16 o   61.798   19.003  1769.29  1046.27   0.0000   0.0000  1769.29  1046.27  ?   ?    61.798   19.003 0.000000 19.00335 
1 1 1   25   27   17 o   38.103   16.554   59.226  952.791   0.0000   0.0000   59.226  952.791  ?   ?    38.103   16.554 0.000000 16.55375 
1 1 1   25   27   18 o   55.882   19.981  1500.45  1147.80   0.0000   0.0000  1500.45  1147.80  ?   ?    55.882   19.981 0.000000 19.98143 
1 1 1   25   29    0 o  259.996   19.444 28475.95  4075.08   0.0000   0.0000 28475.95  4075.08  ?   ?   259.996   19.444 0.000000 19.44401 
1 1 1   25   29    1 o  120.422   20.530  6253.66  1935.43   0.0000   0.0000  6253.66  1935.43  ?   ?   120.422   20.530 0.000000 20.53041 
1 1 1   25   29    2 o  174.984   18.923 12964.84  2645.74   0.0000   0.0000 12964.84  2645.74  ?   ?   174.984   18.923 0.000000 18.92262 
1 1 1   25   29    3 o  195.599   18.953 16193.85  2972.43   0.0000   0.0000 16193.85  2972.43  ?   ?   195.599   18.953 0.000000 18.95346 
1 1 1   25   29    4 o  164.939   17.110 11480.97  2258.07 17480.44  4979.97  9928.25  2533.48  195.527   32.509  151.744   21.136 43.78362 38.77595 
1 1 1   25   29    5 o  268.059   17.397 30243.58  3766.05 36670.16  7336.30 27944.05  4388.41  283.559   32.448  255.345   21.362 28.21448 38.84853 
1 1 1   25   29    6 o  223.210   17.678 21081.87  3177.74 28724.18  6292.11 18465.19  3681.79  250.448   31.648  206.341   22.332 44.10657 38.73357 
1 1 1   25   29    7 o  161.001   10.453 10712.34  1359.09 18015.51  5009.15 10131.99  1412.06  196.246   32.578  156.356   11.197 39.88954 34.44864 
1 1 1   25   29    8 o  292.104   13.328 35494.60  3161.19 53552.86  7705.60 31840.34  3466.32  344.436   27.789  275.055   15.585 69.38156 31.86076 
1 1 1   25   29    9 o  130.418   10.052  7051.52  1056.28 14529.69  4581.68  6631.74  1085.52  172.851   33.856  126.283   10.687 46.56844 35.50270 
1 1 1   25   29   10 f  121.913   11.335  6214.71  1109.18  4316.93  5478.87  6295.82  1132.63  100.873   41.519  122.658   11.507 -21.78526 43.08374 
1 1 1   25   29   11 o   38.518   12.918  589.366  476.284 -7818.7808  5092.85  663.553  478.381   60.185   29.620   40.187   12.919 19.99824 32.31419 
1 1 1   25   29   12 o   56.497   15.239  1407.35  715.135 -303.7714  5569.50  1436.04  721.104   80.177   36.944   57.048   15.267 23.12926 39.97371 
1 1 1   25   29   13 o   89.879   13.445  3491.78  951.075  3449.01  6291.61  3492.78  962.131   92.567   41.274   89.824   13.619 2.742310 43.46244 
1 1 1   25   29   14 o  162.332   13.405 11329.88  1751.12   0.0000   0.0000 11329.88  1751.12  ?   ?   162.332   13.405 0.000000 13.40525 
1 1 1   25   29   15 o  123.441   15.199  6771.49  1491.20   0.0000   0.0000  6771.49  1491.20  ?   ?   123.441   15.199 0.000000 15.19881 
1 1 1   25   29   16 o  107.001   18.480  5439.17  1547.49   0.0000   0.0000  5439.17  1547.49  ?   ?   107.001   18.480 0.000000 18.47980 
1 1 1   25   29   17 o   54.113   22.111  1221.36  1539.93   0.0000   0.0000  1221.36  1539.93  ?   ?    54.113   22.111 0.000000 22.11140 
1 1 1   25   31    0 o  184.316   20.030 14638.36  2949.43   0.0000   0.0000 14638.36  2949.43  ?   ?   184.316   20.030 0.000000 20.03015 
1 1 1   25   31    1 f   84.446   25.085  3197.25  1845.42   0.0000   0.0000  3197.25  1845.42  ?   ?    84.446   25.085 0.000000 25.08513 
1 1 1   25   31    2 o  241.840   21.013 25258.80  4085.28   0.0000   0.0000 25258.80  4085.28  ?   ?   241.840   21.013 0.000000 21.01326 
1 1 1   25   31    3 o   73.427   24.983  2270.85  1781.67   0.0000   0.0000  2270.85  1781.67  ?   ?    73.427   24.983 0.000000 24.98295 
1 1 1   25   31    4 o  223.677   20.897 21693.85  3751.32   0.0000   0.0000 21693.85  3751.32  ?   ?   223.677   20.897 0.000000 20.89705 
1 1 1   25   31    5 o  183.551   18.945 14521.40  2782.92 13487.84  5844.71 14824.42  3164.68  157.906   43.964  183.922   21.603 -26.01579 48.98497 
1 1 1   25   31    6 o   91.582   24.823  3859.32  1892.06  4493.56  4940.85  3750.33  2048.19  101.467   40.249   90.069   26.340 11.39835 48.10129 
1 1 1   25   31    7 o  283.699   13.237 33630.10  3049.15 38974.85  8207.07 32774.21  3284.23  278.544   37.218  278.905   14.553 -0.3615723 39.96228 
1 1 1   25   31    8 o   12.001   5.9447 -507.7835  217.110  6175.00  4883.57 -521.0178  217.325  108.866   40.836   11.904   5.9057 96.96135 41.26104 
1 1 1   25   31    9 o  196.646   12.223 16219.74  1941.93 23437.77  6871.31 15593.19  2024.45  204.874   42.691  192.372   13.038 12.50212 44.63742 
1 1 1   25   31   10 o   46.029   12.123  919.755  459.356 -6774.7212  6341.33  960.343  460.566   69.362   33.911   47.010   12.019 22.35218 35.97831 
1 1 1   25   31   11 o  124.178   11.651  6521.69  1161.04  6001.85  6246.64  6540.29  1181.63  102.128   43.336  124.270   11.854 -22.14116 44.92838 
1 1 1   25   31   12 o   97.987   12.885  4141.27  1000.30  3662.86  6293.12  4153.67  1013.18   90.450   40.729   98.065   13.048 -7.614761 42.76809 
1 1 1   25   31   13 o   31.019   13.810 -182.9694  701.581   0.0000   0.0000 -182.9694  701.581  ?   ?    31.019   13.810 0.000000 13.81008 
1 1 1   25   31   14 o   82.296   18.623  3227.90  1215.36   0.0000   0.0000  3227.90  1215.36  ?   ?    82.296   18.623 0.000000 18.62272 
1 1 1   25   31   15 o   50.769   19.319  1090.03  1102.21   0.0000   0.0000  1090.03  1102.21  ?   ?    50.769   19.319 0.000000 19.31927 
1 1 1   25   31   16 o   38.867   17.846 -343.2886  1283.98   0.0000   0.0000 -343.2886  1283.98  ?   ?    38.867   17.846 0.000000 17.84554 
1 1 1   25   33    0 f   95.448   27.332  4307.94  2226.36   0.0000   0.0000  4307.94  2226.36  ?   ?    95.448   27.332 0.000000 27.33229 
1 1 1   25   33    1 o   46.711   20.704 -308.1542  1559.66   0.0000   0.0000 -308.1542  1559.66  ?   ?    46.711   20.704 0.000000 20.70408 
1 1 1   25   33    2 o  175.389   24.810 14003.50  3434.54   0.0000   0.0000 14003.50  3434.54  ?   ?   175.389   24.810 0.000000 24.80953 
1 1 1   25   33    3 o  232.050   24.289 24333.02  4508.64   0.0000   0.0000 24333.02  4508.64  ?   ?   232.050   24.289 0.000000 24.28897 
1 1 1   25   33    4 o  230.082   24.872 24119.56  4572.64   0.0000   0.0000 24119.56  4572.64  ?   ?   230.082   24.872 0.000000 24.87213 
1 1 1   25   33    5 o   73.244   27.316  2195.08  2179.05 10542.45  5125.25  353.269  2407.48  135.671   42.116   61.190   26.448 74.48068 49.73206 
1 1 1   25   33    6 o  245.571   22.608 27196.53  4457.22 35025.72  9564.16 25024.36  5037.74  235.961   51.376  230.212   27.495 5.748993 58.27039 
1 1 1   25   33    7 o  152.169   25.351 10890.38  3022.03  2707.93  7543.60 12454.59  3298.26   96.059   43.783  162.460   25.871 -66.40108 50.85527 
1 1 1   25   33    8 o   34.684   10.870  499.372  340.500 -3165.9309  6562.70  509.266  340.960   76.618   36.731   34.957   10.865 41.66093 38.30383 
1 1 1   25   33    9 o  106.693   10.898  4810.42  930.835  6633.46  6288.93  4769.59  941.202  103.215   43.622  106.166   11.082 -2.950287 45.00797 
1 1 1   25   33   10 o   20.055   9.2906 -289.3312  359.301 -3253.9099  7861.34 -283.1255  359.677   78.270   38.155   20.141   9.3182 58.12974 39.27674 
1 1 1   25   33   11 o  102.483   12.485  4543.52  1017.48   0.0000   0.0000  4543.52  1017.48  ?   ?   102.483   12.485 0.000000 12.48542 
1 1 1   25   33   12 o  129.633   13.357  7364.59  1385.77   0.0000   0.0000  7364.59  1385.77  ?   ?   129.633   13.357 0.000000 13.35680 
1 1 1   25   33   13 o   54.620   17.943  1401.83  920.195   0.0000   0.0000  1401.83  920.195  ?   ?    54.620   17.943 0.000000 17.94310 
1 1 1   25   33   14 o   64.209   19.825  2119.84  1137.36   0.0000   0.0000  2119.84  1137.36  ?   ?    64.209   19.825 0.000000 19.82470 
1 1 1   25   35    0 o  150.387   27.237 10926.26  3203.42   0.0000   0.0000 10926.26  3203.42  ?   ?   150.387   27.237 0.000000 27.23695 
1 1 1   25   35    1 o  204.181   25.690 19660.55  4164.81   0.0000   0.0000 19660.55  4164.81  ?   ?   204.181   25.690 0.000000 25.69001 
1 1 1   25   35    2 o   92.180   30.546  4286.34  2664.72   0.0000   0.0000  4286.34  2664.72  ?   ?    92.180   30.546 0.000000 30.54620 
1 1 1   25   35    3 o  149.546   32.577 11614.95  3843.82   0.0000   0.0000 11614.95  3843.82  ?   ?   149.546   32.577 0.000000 32.57725 
1 1 1   25   35    4 o   85.443   32.000  3558.13  2996.51   0.0000   0.0000  3558.13  2996.51  ?   ?    85.443   32.000 0.000000 32.00006 
1 1 1   25   35    5 o   77.610   30.560  2636.75  2828.90   0.0000   0.0000  2636.75  2828.90  ?   ?    77.610   30.560 0.000000 30.55951 
1 1 1   25   35    6 o   89.695   31.931  4248.99  2928.03 17226.67  8700.74  2591.56  3109.40  136.617   53.658   77.688   31.544 58.92930 62.24300 
1 1 1   25   35    7 o  122.956   33.498  8516.42  3435.22  7681.00  9349.87  8646.79  3693.54  101.528   47.160  121.671   35.311 -20.14316 58.91420 
1 1 1   25   35    8 o   94.864   10.210  3817.68  774.059   0.0000   0.0000  3817.68  774.059  ?   ?    94.864   10.210 0.000000 10.21011 
1 1 1   25   35    9 o   84.255   10.663  3043.92  713.164   0.0000   0.0000  3043.92  713.164  ?   ?    84.255   10.663 0.000000 10.66313 
1 1 1   25   35   10 o   33.934   12.235  435.618  431.193   0.0000   0.0000  435.618  431.193  ?   ?    33.934   12.235 0.000000 12.23467 
1 1 1   25   35   11 o   91.363   12.459  3695.07  900.190   0.0000   0.0000  3695.07  900.190  ?   ?    91.363   12.459 0.000000 12.45942 
1 1 1   25   35   12 o   32.691   13.538  224.566  587.407   0.0000   0.0000  224.566  587.407  ?   ?    32.691   13.538 0.000000 13.53823 
1 1 1   25   37    0 o  154.668   35.389 13831.17  4348.11   0.0000   0.0000 13831.17  4348.11  ?   ?   154.668   35.389 0.000000 35.38912 
1 1 1   25   37    1 o   99.886   34.188  5890.68  3336.61   0.0000   0.0000  5890.68  3336.61  ?   ?    99.886   34.188 0.000000 34.18771 
1 1 1   25   37    2 o  132.117   35.626 10388.86  3909.07   0.0000   0.0000 10388.86  3909.07  ?   ?   132.117   35.626 0.000000 35.62571 
1 1 1   25   37    3 o   99.901   34.991  6097.09  3504.32   0.0000   0.0000  6097.09  3504.32  ?   ?    99.901   34.991 0.000000 34.99109 
1 1 1   25   37    4 o   62.009   28.264   47.964  3143.77   0.0000   0.0000   47.964  3143.77  ?   ?    62.009   28.264 0.000000 28.26367 
1 1 1   25   37    5 o   44.743   21.917 -3683.8821  2687.12   0.0000   0.0000 -3683.8821  2687.12  ?   ?    44.743   21.917 0.000000 21.91711 
1 1 1   25   37    6 o   61.654   27.841  514.023  2964.78   0.0000   0.0000  514.023  2964.78  ?   ?    61.654   27.841 0.000000 27.84086 
1 1 1   25   37    7 o  104.497   36.338  7774.71  3776.05   0.0000   0.0000  7774.71  3776.05  ?   ?   104.497   36.338 0.000000 36.33804 
1 1 1   25   37    8 o   30.824   11.316  345.380  371.288   0.0000   0.0000  345.380  371.288  ?   ?    30.824   11.316 0.000000 11.31614 
1 1 1   25   37    9 o   66.598   12.139  1990.98  632.237   0.0000   0.0000  1990.98  632.237  ?   ?    66.598   12.139 0.000000 12.13909 
1 1 1   25   37   10 f   95.583   11.528  4055.93  876.608   0.0000   0.0000  4055.93  876.608  ?   ?    95.583   11.528 0.000000 11.52761 
1 1 1   25   39    0 o   78.135   33.132  3921.63  3647.06   0.0000   0.0000  3921.63  3647.06  ?   ?    78.135   33.132 0.000000 33.13183 
1 1 1   25   39    1 o   97.167   36.192  7165.51  3822.85   0.0000   0.0000  7165.51  3822.85  ?   ?    97.167   36.192 0.000000 36.19248 
1 1 1   25   39    2 o   99.281   39.352  8729.00  4720.00   0.0000   0.0000  8729.00  4720.00  ?   ?    99.281   39.352 0.000000 39.35238 
1 1 1   25   39    3 o   77.864   34.249  4193.50  4189.86   0.0000   0.0000  4193.50  4189.86  ?   ?    77.864   34.249 0.000000 34.24891 
1 1 1   25   39    4 o   48.431   23.534 -2389.2871  2925.50   0.0000   0.0000 -2389.2871  2925.50  ?   ?    48.431   23.534 0.000000 23.53401 
1 1 1   25   39    5 o   64.276   29.842  1422.79  3737.04   0.0000   0.0000  1422.79  3737.04  ?   ?    64.276   29.842 0.000000 29.84237 
1 1 1   25   39    6 o   52.642   25.304 -1066.0110  3161.65   0.0000   0.0000 -1066.0110  3161.65  ?   ?    52.642   25.304 0.000000 25.30436 
1 1 1   25   39    7 o   62.597   29.908  1459.06  4272.49   0.0000   0.0000  1459.06  4272.49  ?   ?    62.597   29.908 0.000000 29.90849 
1 1 1   25   41    0 o   76.951   34.446  6724.37  4428.31   0.0000   0.0000  6724.37  4428.31  ?   ?    76.951   34.446 0.000000 34.44560 
1 1 1   25   41    1 o   64.425   30.867  2942.77  4619.74   0.0000   0.0000  2942.77  4619.74  ?   ?    64.425   30.867 0.000000 30.86742 
1 1 1   26    0    0 o  234.906   19.036 22873.01  3576.05   0.0000   0.0000 22873.01  3576.05  234.906   19.036  234.906   19.036 0.000000 0.000000 
1 1 1   26    0    1 o  617.822   30.185 156620.09 15059.75 164393.91 21338.53 148905.59 21257.10  630.012   42.146  598.529   44.298 0.000000 0.000000 
1 1 1   26    0    2 o  750.055   36.407 231098.70 22053.71 236719.09 31233.64 225510.70 31143.87  754.833   51.511  736.085   52.730 0.000000 0.000000 
1 1 1   26    0    3 o  304.491   16.091 37987.65  3952.98 35017.04  5643.02 40849.90  5539.14  290.392   24.325  314.687   21.923 0.000000 0.000000 
1 1 1   26    0    4 o  206.185   11.840 17436.90  1967.17 16474.21  2839.67 18325.18  2727.71  198.962   17.911  210.528   16.177 0.000000 0.000000 
1 1 1   26    0    5 f  1113.86   54.166 511608.31 48724.80 495985.41 68968.41 527175.88 68846.30  1087.00   79.104  1122.38   76.355 0.000000 0.000000 
1 1 1   26    0    6 o  1623.40   79.647 1098337.00 104410.00 1053011.00 147715.09 1143594.00 147601.20  1565.36  117.750  1636.25  112.312 0.000000 0.000000 
1 1 1   26    0    7 o  102.774   8.4207  4375.04  691.851  5516.39  1061.37  3531.76  912.312  114.795   11.663   90.466   13.252 0.000000 0.000000 
1 1 1   26    0    8 o  650.300   45.593 175973.30 23802.36   0.0000   0.0000 175973.30 23802.36  650.300   45.593  650.300   45.593 0.000000 0.000000 
1 1 1   26    0    9 o   33.342   13.106  620.788  340.288  1437.97  626.832  279.328  405.194   53.144   16.570   23.369   13.414 0.000000 0.000000 
1 1 1   26    0   10 o   43.522   11.251  907.968  343.609  564.904  670.713  1030.05  400.102   31.855   17.654   46.108   12.367 0.000000 0.000000 
1 1 1   26    0   11 o  479.488   23.909 94617.00  9255.84 94766.93 13155.32 94470.02 13025.11  476.433   34.419  475.789   34.119 0.000000 0.000000 
1 1 1   26    0   12 o   11.785   8.3166 -384.8960  318.819 -693.0623  595.848 -261.2769  377.386   16.264   11.455   14.502   9.9500 0.000000 0.000000 
1 1 1   26    0   13 o  151.242   10.618  9438.27  1289.19  9493.72  1877.65  9388.81  1773.20  150.220   15.793  149.645   14.935 0.000000 0.000000 
1 1 1   26    0   14 o  364.153   19.076 54614.66  5605.12 52357.27  8015.08 56775.31  7841.45  353.376   28.354  368.960   26.488 0.000000 0.000000 
1 1 1   26    0   15 o  364.478   19.372 54802.63  5695.99 50166.71  8149.40 59230.54  7964.47  344.773   29.613  376.599   26.342 0.000000 0.000000 
1 1 1   26    0   16 o  121.236   11.842  6157.96  1140.15  4697.32  1656.12  7473.96  1571.98   99.718   23.553  132.799   15.081 0.000000 0.000000 
1 1 1   26    0   17 o   42.597   19.039  1076.12  700.348  771.971  1161.30  1249.97  877.975   38.810   22.519   45.537   21.279 0.000000 0.000000 
1 1 1   26    0   18 o   51.232   26.174  1625.84  1374.78  1625.84  1374.78   0.0000   0.0000   51.232   26.174   51.232   26.174 0.000000 0.000000 
1 1 1   26    0   20 o   69.315   21.991  2527.35  1089.13   0.0000   0.0000  2527.35  1089.13   69.315   21.991   69.315   21.991 0.000000 0.000000 
1 1 1   26    0   21 o  155.952   13.596 10305.72  1691.49  9274.43  2851.18 10865.81  2101.20  138.094   28.854  158.558   16.748 0.000000 0.000000 
1 1 1   26    0   22 o  203.874   15.713 17792.36  2565.56 12765.28  4044.83 21176.18  3318.53  154.577   37.161  220.339   18.867 0.000000 0.000000 
1 1 1   26    0   23 o   20.134   13.822 -447.1651  730.784 -1524.7610  1683.69 -197.0366  811.175   27.646   19.427   23.401   15.619 0.000000 0.000000 
1 1 1   26    0   24 o   28.589   18.098  257.915  903.927   0.0000   0.0000  257.915  903.927   28.589   18.098   28.589   18.098 0.000000 0.000000 
1 1 1   26    2    0 o  415.247   20.758 70237.63  6998.90 68345.88  9888.83 72136.36  9907.07  407.787   30.078  419.130   29.295 -11.34286 41.98698 
1 1 1   26    2    1 f  862.562   29.257 303954.81 20490.91 305999.91 28966.86 301906.31 28990.20  862.777   41.349  856.905   41.666 5.872131 58.70076 
1 1 1   26    2    2 f  933.951   31.387 356487.81 23802.18 353018.50 33643.43 359964.50 33679.32  926.236   44.734  935.413   44.343 -9.176941 62.98751 
1 1 1   26    2    3 f  434.305   15.354 76689.63  5414.57 80607.61  7643.81 72743.76  7670.99  444.967   21.156  422.038   22.466 22.92932 30.85977 
1 1 1   26    2    4 o  866.516   29.368 306329.59 20662.97 305558.41 29220.43 307101.00 29223.26  863.287   41.686  865.484   41.584 -2.197083 58.88134 
1 1 1   26    2    5 o  474.110   16.620 91393.48  6397.98 91755.96  9053.70 91031.88  9042.52  474.696   23.489  472.816   23.554 1.880585 33.26453 
1 1 1   26    2    6 o  510.257   17.802 105890.10  7375.52 104441.70 10439.90 107333.40 10421.25  505.646   25.510  513.280   25.005 -7.633514 35.72145 
1 1 1   26    2    7 o  430.708   17.273 75462.08  6040.71 72485.65 10433.42 76962.92  7408.78  420.124   30.800  434.767   20.987 -14.64301 37.27048 
1 1 1   26    2    8 o  512.313   19.778 106940.70  8227.34 112324.60 10092.28 96273.73 14205.54  524.640   23.691  482.680   36.516 41.96085 43.52831 
1 1 1   26    2    9 o  602.111   20.151 147970.00  9851.48 154048.80 13945.53 141914.59 13918.71  612.836   28.025  587.958   29.155 24.87817 40.44065 
1 1 1   26    2   10 o  681.713   22.554 190294.00 12484.27 193281.30 17669.98 187316.50 17640.90  684.169   31.808  673.366   32.265 10.80322 45.30748 
1 1 1   26    2   11 o  836.115   32.257 289416.00 21899.47 274429.31 26819.99 319398.00 37934.58  808.453   40.991  861.614   54.504 -53.16040 68.19782 
1 1 1   26    2   12 o  616.608   24.529 156356.09 12280.86 160956.70 21354.12 154082.50 15011.82  616.219   42.947  610.059   30.306 6.160034 52.56302 
1 1 1   26    2   13 o  187.680   8.1353 14323.74  1239.73 13399.13  1773.34 15207.60  1733.82  180.936   12.141  192.928   11.115 -11.99249 16.46050 
1 1 1   26    2   14 o  629.355   21.934 163050.80 11208.59 163517.30 15865.84 162586.00 15836.89  625.847   31.222  623.253   31.395 2.594055 44.27696 
1 1 1   26    2   15 o  408.070   16.875 68267.49  5591.34 72826.93  9807.01 66071.66  6805.84  416.546   29.180  399.854   21.036 16.69238 35.97233 
1 1 1   26    2   16 o  637.471   26.402 170144.59 13666.03 155494.91 23795.98 177354.30 16693.48  584.690   50.623  646.425   31.805 -61.73523 59.78465 
1 1 1   26    2   17 o   29.282   13.001 -218.6735  617.559 -479.7877  1082.88 -92.8170  751.800   37.830   16.977   34.075   14.754 3.754940 22.49187 
1 1 1   26    2   18 o  173.662   10.284 12406.50  1443.64 12283.21  1846.55 12600.32  2315.29  172.033   13.323  173.206   16.669 -1.173615 21.33899 
1 1 1   26    2   19 o  144.188   8.9031  8551.86  1037.23  7986.83  1497.41  9073.02  1438.12  138.142   13.523  147.740   12.094 -9.597961 18.14258 
1 1 1   26    2   20 o   66.032   15.010  1898.45  786.514  2532.93  941.629  434.260  1430.44   76.297   15.723   50.959   21.117 25.33849 26.32713 
1 1 1   26    2   21 o   43.455   15.994  664.449  742.360  768.057  826.281  230.710  1690.62   46.157   16.891   52.279   22.374 -6.122856 28.03358 
1 1 1   26    2   22 o   86.110   11.612  3158.70  791.190  3105.59  1118.76  3211.84  1119.06   83.256   17.121   84.820   16.843 -1.563843 24.01681 
1 1 1   26    2   23 o  101.642   10.333  4379.46  840.927  4687.40  1175.24  4056.39  1203.77  103.231   14.414   94.987   16.188 8.244118 21.67549 
1 1 1   26    2   24 o   28.940   12.980 -193.3321  632.194 -750.9711  812.477  662.384  1006.47   28.508   13.451   45.090   18.073 -16.58134 22.52919 
1 1 1   26    4    0 o  483.053   34.275 96003.84 13356.32   0.0000   0.0000 96003.84 13356.32  ?   ?   483.053   34.275 0.000000 34.27541 
1 1 1   26    4    1 o  976.966   47.221 393435.41 37458.50 388034.09 53000.14 398826.19 52948.55  960.114   68.433  973.961   67.368 -13.84692 96.02870 
1 1 1   26    4    2 o  1119.55   54.008 518399.50 49095.05 528358.38 69456.74 508455.50 69405.07  1117.34   77.028  1095.11   78.577 22.23535 110.0347 
1 1 1   26    4    3 o  826.889   26.536 278759.50 17816.37 276374.81 25193.94 281145.09 25198.37  821.578   37.767  828.697   37.449 -7.118835 53.18586 
1 1 1   26    4    4 o  387.927   13.521 61157.29  4258.95 57777.69  6028.52 64524.66  6017.62  376.320   19.799  398.284   18.608 -21.96338 27.17077 
1 1 1   26    4    5 o  175.803   7.4602 12551.44  1064.91 11710.37  1516.22 13370.25  1496.02  169.418   11.083  181.135   10.213 -11.71706 15.07149 
1 1 1   26    4    6 o  388.054   15.670 61222.93  4937.45 61230.76  8527.70 61218.98  6055.73  386.558   27.346  387.901   19.227 -1.342346 33.42844 
1 1 1   26    4    7 o  514.587   17.138 107730.60  7160.89 118776.80 10150.60 96786.53 10103.61  539.857   23.157  486.446   25.671 53.41089 34.57211 
1 1 1   26    4    8 f  1551.87   52.756 1005415.00 66475.50 1002335.00 94035.82 1008492.00 93985.30  1527.23   75.832  1532.23   75.543 -5.004517 107.0385 
1 1 1   26    4    9 o  396.970   13.790 64149.82  4444.74 65376.07  6309.35 62941.69  6262.55  400.216   19.416  392.174   19.730 8.042419 27.68092 
1 1 1   26    4   10 o  632.870   21.164 163874.30 10875.48 159976.00 15405.76 167747.00 15354.86  622.718   30.469  637.934   29.644 -15.21631 42.50982 
1 1 1   26    4   11 o  289.410   12.334 34105.08  2898.41 33075.55  3559.02 36132.55  4994.44  284.353   15.473  296.356   20.889 -12.00366 25.99563 
1 1 1   26    4   12 o  480.286   19.571 94443.03  7632.39 87718.27 13346.02 97711.28  9304.01  456.917   36.271  487.622   23.499 -30.70447 43.21807 
1 1 1   26    4   13 o  236.982   10.933 22869.91  2103.79 22354.35  3777.45 23101.72  2532.99  232.594   20.202  237.656   13.178 -5.061798 24.12024 
1 1 1   26    4   14 o  301.050   13.165 36984.86  3218.15 36673.56  5727.81 37128.45  3890.22  297.112   23.946  300.854   15.982 -3.741394 28.78966 
1 1 1   26    4   15 o  209.056   13.128 17921.04  2217.07 17180.33  3310.44 18523.47  2985.50  203.255   20.332  211.749   17.522 -8.493286 26.83997 
1 1 1   26    4   16 o  235.164   11.199 22584.42  2138.38 23264.12  2658.16 21337.80  3599.91  237.921   13.819  226.362   19.785 11.55949 24.13332 
1 1 1   26    4   17 o  259.460   10.546 27542.35  2221.71 29118.82  3163.96 26008.95  3120.44  265.421   14.739  250.594   15.410 14.82703 21.32422 
1 1 1   26    4   18 o  270.841   10.764 30114.28  2367.11 32419.78  3403.54 27954.36  3294.32  279.158   15.071  258.876   15.747 20.28192 21.79731 
1 1 1   26    4   19 o  284.560   11.437 33403.06  2642.58 34736.11  3790.27 32142.18  3686.25  287.428   16.308  276.341   16.504 11.08768 23.20188 
1 1 1   26    4   20 o  176.708   9.3777 12883.28  1340.71 13428.59  1922.84 12367.33  1870.35  178.985   13.326  171.646   13.530 7.339355 18.99060 
1 1 1   26    4   21 o   35.238   14.729  139.021  704.561  1101.04  795.321 -3369.0049  1518.74   51.240   16.674   31.568   15.653 19.67220 22.86981 
1 1 1   26    4   22 o  104.873   11.975  4677.82  1001.42  4485.63  1122.36  5428.17  2217.72  101.869   13.934  105.194   26.091 -3.324501 29.57905 
1 1 1   26    4   23 o  121.645   10.698  6280.29  1045.88  5971.06  1470.29  6597.04  1488.06  115.530   16.112  122.005   15.362 -6.474937 22.26169 
1 1 1   26    4   24 o   28.463   12.438 -41.3111  544.665  183.438  669.347 -481.7992  937.063   34.073   14.307   32.982   15.181 1.091785 20.86008 
1 1 1   26    6    0 o  835.178   58.311 290831.19 39294.45   0.0000   0.0000 290831.19 39294.45  ?   ?   835.178   58.311 0.000000 58.31060 
1 1 1   26    6    1 o  1054.15   50.876 458552.81 43546.55 461074.00 61613.94 456036.41 61554.36  1045.86   73.013  1039.92   73.369 5.939697 103.5083 
1 1 1   26    6    2 o  330.670   10.688 44421.71  2869.52 42206.07  4042.79 46671.25  4073.62  322.197   15.453  338.832   14.807 -16.63492 21.40192 
1 1 1   26    6    3 o  276.840   10.214 31133.10  2295.88 31421.89  3251.02 30845.77  3242.72  277.662   14.470  275.091   14.569 2.570831 20.53417 
1 1 1   26    6    4 o  2040.03  155.749 1920401.00 256037.91 1920401.00 256037.91   0.0000   0.0000  2040.03  155.749  ?   ?  0.000000 155.7486 
1 1 1   26    6    5 f  1103.58   43.255 499677.91 38758.99 532303.38 67083.91 483329.59 47487.09  1125.63   73.806  1082.20   54.042 43.43604 91.47639 
1 1 1   26    6    6 o  190.709   7.2561 14770.60  1123.60 15372.65  1606.87 14194.60  1571.73  194.255   10.224  186.630   10.413 7.625809 14.59320 
1 1 1   26    6    7 o  229.544   8.7046 21405.28  1622.38 22694.70  2320.43 20172.16  2269.21  235.973   12.152  222.399   12.618 13.57394 17.51819 
1 1 1   26    6    8 o  380.469   13.133 58889.30  4057.21 58097.95  5762.87 59667.02  5712.99  377.499   18.801  382.597   18.390 -5.098236 26.29978 
1 1 1   26    6    9 o  898.736   35.306 334369.59 25764.33 362125.91 31571.41 279032.59 44578.06  931.735   41.731  796.816   69.599 134.9194 81.15159 
1 1 1   26    6   10 o  775.051   29.896 247829.41 18813.96 249291.30 23062.65 244920.91 32529.42  774.216   36.687  755.855   53.345 18.36102 64.74287 
1 1 1   26    6   11 o  911.103   36.142 345946.41 26737.01 356201.69 46463.90 340869.41 32691.96  898.217   64.130  898.169   44.828 0.4797363E-01 78.24414 
1 1 1   26    6   12 o   49.377   11.005  1031.79  429.946  1871.32  864.579  755.964  495.566   66.379   16.187   42.983   13.052 23.39605 20.79340 
1 1 1   26    6   13 o  516.239   20.174 109372.40  8456.18 112661.10 10387.34 102910.00 14560.89  522.617   24.478  493.505   36.599 29.11188 44.03001 
1 1 1   26    6   14 o  573.033   23.687 135640.50 11020.95 135618.20 13527.64 135684.41 19005.42  569.686   29.344  561.592   41.983 8.094238 51.22159 
1 1 1   26    6   15 o   90.449   8.1080  3356.14  589.143  2228.39  849.965  4398.98  817.341   72.476   14.940  103.440   9.8504 -30.96452 17.89514 
1 1 1   26    6   16 o  128.712   7.8767  6772.31  819.235  8171.92  1188.34  5504.64  1130.94  141.100   10.447  115.362   12.262 25.73793 16.10827 
1 1 1   26    6   17 o  128.153   8.0238  6725.88  830.714  6609.58  1184.23  6838.55  1165.60  126.425   11.668  128.692   11.268 -2.266579 16.22082 
1 1 1   26    6   18 o  221.720   9.7967 20153.52  1763.69 20324.80  2529.73 19991.52  2460.18  221.069   14.168  219.345   13.885 1.724152 19.83731 
1 1 1   26    6   19 o  125.434   8.6893  6479.61  879.539  7515.42  1264.69  5509.35  1224.02  134.394   11.706  114.444   13.427 19.95008 17.81381 
1 1 1   26    6   20 o  118.317   9.4912  5800.86  904.135  5420.12  1219.78  6265.12  1346.93  113.156   13.545  121.642   13.886 -8.485771 19.39829 
1 1 1   26    6   21 o   73.491   12.786  2324.02  735.284  2059.94  952.011  2714.45  1157.56   67.942   17.231   77.656   18.603 -9.713409 25.35718 
1 1 1   26    6   22 o   70.220   12.627  2141.05  693.499  2031.83  858.203  2346.58  1177.28   67.293   15.950   71.252   19.693 -3.959061 25.34168 
1 1 1   26    6   23 o   90.431   14.381  3629.90  1020.60  3974.11  1145.99  2310.17  2243.96   94.060   15.548   70.279   27.350 23.78108 31.46027 
1 1 1   26    6   24 o   50.426   16.233  1174.48  755.126  915.938  825.222  2505.33  1872.27   46.457   16.898   68.297   25.350 -21.84002 30.46626 
1 1 1   26    8    0 o  954.315   66.699 381319.91 51358.13   0.0000   0.0000 381319.91 51358.13  ?   ?   954.315   66.699 0.000000 66.69894 
1 1 1   26    8    1 o  718.856   34.823 211275.91 20325.85 211738.09 28780.39 210816.00 28709.93  715.354   49.861  713.791   49.849 1.563171 70.50585 
1 1 1   26    8    2 o  635.980   24.244 164752.41 12519.34 190336.80 21798.03 152159.09 15293.20  680.583   39.617  609.779   30.990 70.80365 50.29777 
1 1 1   26    8    3 o  1177.53   54.865 572352.62 52456.77   0.0000   0.0000 572352.62 52456.77  ?   ?   1177.53   54.865 0.000000 54.86456 
1 1 1   26    8    4 o  758.199   30.079 234599.80 18517.64 234817.91 32201.89 234492.00 22634.40  752.687   53.029  757.050   36.822 -4.363037 64.55958 
1 1 1   26    8    5 o  226.563   8.8341 20849.80  1625.14 24741.75  2301.37 16978.57  2295.24  246.762   11.486  203.900   13.947 42.86235 18.06801 
1 1 1   26    8    6 o  1131.16   37.915 525370.31 34823.43 584686.81 49258.65 466106.09 49236.88  1187.89   51.070  1056.27   57.626 131.6238 76.99976 
1 1 1   26    8    7 o  137.783   6.9519  7730.92  775.237  9740.30  1109.92  5816.92  1083.26  154.572   8.8808  119.079   11.341 35.49330 14.40415 
1 1 1   26    8    8 o  370.344   14.838 55859.09  4462.00 66893.00  7890.09 50671.14  5410.22  403.513   24.193  351.866   19.007 51.64673 30.76658 
1 1 1   26    8    9 o  614.950   44.261 159487.70 21952.50 159487.70 21952.50   0.0000   0.0000  614.950   44.261  ?   ?  0.000000 44.26087 
1 1 1   26    8   10 o  551.444   27.098 125198.60 12133.15 128796.80 17287.11 121705.30 17033.43  554.106   38.665  538.307   39.241 15.79913 55.08929 
1 1 1   26    8   11 o  305.748   12.818 38086.75  3182.09 37041.34  3919.22 40108.96  5450.94  300.793   16.105  312.014   21.650 -11.22128 26.98331 
1 1 1   26    8   12 o  336.314   14.637 46161.90  3997.01 45604.05  4921.87 47242.33  6849.71  333.303   18.256  337.606   25.168 -4.303070 31.09232 
1 1 1   26    8   13 o  582.455   20.368 139356.00  9632.52 138493.91 13660.60 140208.50 13584.61  576.391   29.285  580.859   28.803 -4.468506 41.07579 
1 1 1   26    8   14 o  142.646   7.8170  8302.34  901.952  8932.45  1306.33  7728.32  1246.85  147.633   10.976  137.223   11.291 10.41043 15.74655 
1 1 1   26    8   15 o  227.172   9.6369 21032.15  1777.59 21354.25  2532.84 20719.52  2495.35  228.049   13.743  224.621   13.748 3.428146 19.43888 
1 1 1   26    8   16 o   73.340   8.8618  2225.22  517.014  1899.75  780.060  2480.20  690.450   66.702   14.791   77.060   11.377 -10.35810 18.66008 
1 1 1   26    8   17 o   37.128   11.899  553.220  406.081  808.438  570.667  291.428  577.971   44.554   14.087   35.051   13.809 9.502956 19.72700 
1 1 1   26    8   18 o  229.134   9.8383 21541.05  1830.42 22865.28  2643.17 20320.80  2537.27  234.447   13.948  220.865   14.224 13.58179 19.92134 
1 1 1   26    8   19 o  253.933   10.643 26585.29  2194.39 27762.61  3164.87 25495.28  3045.26  257.035   15.232  246.241   15.307 10.79410 21.59434 
1 1 1   26    8   20 f  160.197   9.1640 10600.96  1187.05 10578.67  1661.79 10624.19  1696.23  158.659   13.014  158.896   13.269 -0.2371826 18.58552 
1 1 1   26    8   21 o   20.241   9.5536 -452.1712  410.458   32.729  485.042 -1675.3370  770.363   28.440   12.072   22.895   11.315 5.544886 16.54627 
1 1 1   26    8   22 o  180.764   10.711 13736.26  1565.15 16819.06  2191.55 10527.07  2236.02  197.973   13.718  153.175   18.343 44.79799 22.90549 
1 1 1   26    8   23 o   46.741   14.471  967.965  605.531  1264.07  689.270 -33.3901  1267.54   52.743   15.239   42.487   18.756 10.25578 24.16646 
1 1 1   26    8   24 o   41.552   14.451  740.009  597.212  932.907  676.080   54.903  1274.13   45.612   15.390   42.119   18.689 3.493053 24.21009 
1 1 1   26   10    0 o  1283.13   91.060 703573.12 94255.05   0.0000   0.0000 703573.12 94255.05  ?   ?   1283.13   91.060 0.000000 91.05980 
1 1 1   26   10    1 o  1497.08   72.773 937757.81 88461.84 963095.38 125148.00 912455.62 125059.90  1491.36  103.999  1448.77  107.070 42.58228 149.2643 
1 1 1   26   10    2 o  731.985   25.263 218338.70 15014.77 269455.69 26165.14 193241.41 18333.89  810.949   39.737  687.751   32.831 123.1979 51.54492 
1 1 1   26   10    3 o  917.346   34.094 344074.81 25395.00 395926.50 44120.79 318386.41 31054.88  976.747   55.864  880.502   43.437 96.24561 70.76394 
1 1 1   26   10    4 o  360.673   15.103 52894.24  4423.02 54366.11  7806.42 52198.35  5367.72  364.108   26.589  357.675   18.546 6.433594 32.41791 
1 1 1   26   10    5 o  527.776   21.386 113511.20  9164.58 118971.50 16027.31 110858.50 11171.07  537.093   36.977  520.383   26.526 16.70990 45.50728 
1 1 1   26   10    6 o  494.097   20.160 99548.40  8087.93 100769.40 14162.31 98957.45  9852.65  493.619   35.573  491.471   24.769 2.148285 43.34725 
1 1 1   26   10    7 o  289.079   15.524 34137.92  3630.44 36556.44  5231.61 31891.45  5042.08  298.314   21.748  278.404   22.497 19.90979 31.29058 
1 1 1   26   10    8 o  561.820   27.429 129784.20 12512.74 129784.20 12512.74   0.0000   0.0000  561.820   27.429  ?   ?  0.000000 27.42943 
1 1 1   26   10    9 o  499.707   20.116 102146.10  8161.87 101064.20  9997.85 104307.70 14132.12  495.451   24.932  500.017   35.030 -4.565430 42.99635 
1 1 1   26   10   10 o  302.058   10.875 37132.64  2667.27 35998.30  3271.80 39380.35  4605.60  297.207   13.558  309.827   18.390 -12.61996 22.84734 
1 1 1   26   10   11 o  478.214   16.173 93411.82  6279.90 91422.66  8906.95 95378.08  8855.51  471.564   23.262  481.817   22.636 -10.25327 32.45769 
1 1 1   26   10   12 o  174.609   9.5679 12445.02  1351.34 12742.50  2586.31 12333.30  1584.89  175.430   18.432  173.635   11.303 1.794876 21.62205 
1 1 1   26   10   13 o  293.298   11.507 35066.52  2740.31 35459.21  3903.02 34684.78  3848.33  293.871   16.423  290.644   16.374 3.227295 23.19059 
1 1 1   26   10   14 o  118.373   7.2174  5720.64  690.390  5447.65  984.268  5985.03  968.637  115.115   10.651  120.792   9.9651 -5.677216 14.58592 
1 1 1   26   10   15 o  171.424   7.9446 11966.18  1105.82 11638.41  1569.56 12289.23  1558.23  168.391   11.549  173.120   11.144 -4.728653 16.04943 
1 1 1   26   10   16 o  276.500   10.590 31278.06  2377.58 33971.02  3403.06 28710.05  3323.18  286.794   14.663  263.287   15.615 23.50732 21.41982 
1 1 1   26   10   17 o  345.099   12.762 49094.25  3575.98 51540.99  5115.13 46755.30  5001.19  350.537   18.033  333.518   18.541 17.01883 25.86396 
1 1 1   26   10   18 o  232.885   10.202 22292.39  1929.09 25205.66  2774.61 19566.41  2683.95  245.959   13.951  215.992   15.405 29.96634 20.78283 
1 1 1   26   10   19 o   76.821   9.6368  2465.22  587.878  2317.46  732.617  2732.40  985.153   73.702   12.701   79.289   15.856 -5.586479 20.31562 
1 1 1   26   10   20 o  135.959   9.0044  7648.57  988.410  6205.24  1350.59  9313.09  1450.39  120.732   14.039  149.010   12.092 -28.27770 18.52875 
1 1 1   26   10   21 o   21.598   9.8481 -233.6818  382.135 -66.4898  418.481 -1072.6899  937.456   25.027   10.920   29.875   14.200 -4.847992 17.91342 
1 1 1   26   10   22 o   56.118   13.307  1397.89  597.168  742.383  703.456  3088.84  1129.84   43.626   15.638   82.181   17.470 -38.55515 23.44676 
1 1 1   26   10   23 o   46.206   13.857  955.513  561.156  1020.86  658.693  782.573  1071.59   47.764   15.138   47.453   18.769 0.3118629 24.11326 
1 1 1   26   10   24 o   29.566   12.445  125.269  508.469   82.614  573.195  282.788  1101.49   30.429   13.025   41.394   17.891 -10.96562 22.12998 
1 1 1   26   12    0 o  514.878   25.458 108087.50 10642.85   0.0000   0.0000 108087.50 10642.85  ?   ?   514.878   25.458 0.000000 25.45750 
1 1 1   26   12    1 o  621.368   24.848 157404.59 12536.44 157681.59 21764.24 157267.09 15336.18  617.753   43.671  620.450   30.442 -2.696838 53.23447 
1 1 1   26   12    2 o  914.456   35.815 342625.81 26592.88 356162.31 46041.00 335849.31 32576.29  922.137   61.849  903.149   44.423 18.98767 76.14912 
1 1 1   26   12    3 o  170.355   32.290 12266.28  4302.95 12341.79  6140.33 12193.42  6031.70  169.893   44.119  168.872   43.666 1.020340 62.07423 
1 1 1   26   12    4 o  1278.37   62.254 688389.88 64619.27 744143.88 91444.66 632780.12 91326.33  1304.78   86.810  1194.56   94.939 110.2181 128.6442 
1 1 1   26   12    5 o  142.748   10.825  8331.72  1245.31  8069.93  1869.25  8540.63  1669.85  139.756   16.810  144.143   14.462 -4.387268 22.17485 
1 1 1   26   12    6 o  645.343   31.531 171554.30 16522.24 179366.59 23458.11 163863.70 23274.91  653.863   44.448  624.001   46.267 29.86182 64.15803 
1 1 1   26   12    7 o  672.933   48.615 192208.20 26384.35 192208.20 26384.35   0.0000   0.0000  672.933   48.615  ?   ?  0.000000 48.61485 
1 1 1   26   12    8 o  426.570   21.326 74505.63  7386.63 81027.34 10567.10 68273.90 10329.51  442.174   29.603  405.120   31.653 37.05441 43.33929 
1 1 1   26   12    9 o  231.691   8.4898 21825.84  1597.15 20135.82  2246.77 23552.25  2270.84  221.998   12.515  240.524   11.628 -18.52638 17.08327 
1 1 1   26   12   10 o  137.237   7.2066  7676.48  800.237  7679.74  1102.63  7672.85  1163.21  137.019   9.9794  136.898   10.546 0.1218109 14.51906 
1 1 1   26   12   11 o  709.368   23.877 207301.30 13752.65 201189.50 19472.47 213383.91 19425.99  693.325   34.590  714.708   33.475 -21.38269 48.13516 
1 1 1   26   12   12 o  105.825   9.2887  4592.92  790.071  4835.57  1660.24  4521.89  898.307  106.856   19.867  104.820   10.705 2.035522 22.56702 
1 1 1   26   12   13 o  334.706   12.534 45724.36  3406.29 46848.28  4847.10 44627.73  4787.89  337.443   17.753  329.272   17.976 8.171173 25.26484 
1 1 1   26   12   14 o  307.275   11.876 38559.14  2963.04 38909.84  4217.18 38217.22  4164.08  307.277   16.968  304.538   16.906 2.739075 23.95305 
1 1 1   26   12   15 o  104.972   7.7146  4512.99  652.934  5404.82  876.618  3401.72  978.544  114.694   9.4985   90.031   13.828 24.66319 16.77617 
1 1 1   26   12   16 o  148.576   7.7527  9030.30  932.032  8873.48  1311.24  9190.45  1325.05  146.697   11.090  149.324   11.006 -2.627350 15.62471 
1 1 1   26   12   17 o  229.398   9.9558 21589.70  1854.40 23859.14  2671.06 19478.04  2576.53  239.636   13.786  216.070   14.775 23.56592 20.20723 
1 1 1   26   12   18 o  212.126   9.7317 18497.12  1676.19 21875.52  2405.42 15308.07  2337.04  229.245   12.976  190.730   15.217 38.51501 19.99852 
1 1 1   26   12   19 o  336.430   13.179 47252.23  3600.23 48946.36  5159.35 45644.40  5026.25  337.079   18.927  325.296   19.113 11.78354 26.89911 
1 1 1   26   12   20 o  163.465   9.0949 11062.89  1202.37  9439.73  1660.56 12851.78  1743.28  149.024   13.883  174.830   12.360 -25.80652 18.58799 
1 1 1   26   12   21 o   34.759   12.206  458.381  426.584  189.993  479.863  1469.68  931.482   30.661   12.412   57.556   17.969 -26.89502 21.83919 
1 1 1   26   12   22 o   52.046   12.883  1205.81  541.515  1429.96  601.020  238.995  1248.21   56.598   13.303   44.769   19.194 11.82848 23.35315 
1 1 1   26   12   23 o  157.242   10.843 10637.84  1375.96 11101.23  1847.51 10060.67  2061.90  157.091   14.653  146.334   17.714 10.75713 22.98952 
1 1 1   26   14    0 o  391.179   29.010 62964.88  9148.67   0.0000   0.0000 62964.88  9148.67  ?   ?   391.179   29.010 0.000000 29.01010 
1 1 1   26   14    1 o  410.763   21.152 68991.12  7030.96 72657.18 10017.16 65431.27  9871.00  420.176   29.549  398.396   30.753 21.77972 42.64840 
1 1 1   26   14    2 o  382.231   19.931 59734.42  6164.45 61878.41  8772.53 57643.06  8664.18  387.737   28.054  374.031   28.749 13.70645 40.16852 
1 1 1   26   14    3 o  187.878   12.465 14421.05  1890.69 13640.30  2721.72 15149.18  2628.40  181.958   18.687  192.077   17.030 -10.11909 25.28278 
1 1 1   26   14    4 o  398.219   21.585 64997.34  6953.37 56472.12 10108.73 72653.56  9579.67  368.381   34.185  419.711   28.275 -51.33078 44.36325 
1 1 1   26   14    5 o  405.409   20.171 67173.83  6639.88 69617.33  9650.79 64977.50  9149.65  410.239   29.163  396.403   28.619 13.83636 40.85974 
1 1 1   26   14    6 o  184.811   10.333 13936.57  1544.43  8536.42  2924.04 16026.00  1818.83  141.918   26.345  198.127   11.353 -56.20898 28.68726 
1 1 1   26   14    7 o  246.637   10.457 24748.32  2094.15 32754.89  3883.57 21465.76  2486.65  282.750   16.995  229.153   13.423 53.59651 21.65629 
1 1 1   26   14    8 o  591.542   29.411 144644.09 14126.38 146685.00 20119.27 142659.59 19839.11  588.737   42.371  580.560   42.379 8.176514 59.92689 
1 1 1   26   14    9 o  376.231   15.961 57804.90  4875.98 57791.16  8711.23 57811.16  5884.09  372.622   29.021  375.244   19.378 -2.622498 34.89595 
1 1 1   26   14   10 o  554.259   22.585 126357.40 10163.94 124135.60 17886.22 127417.00 12352.09  539.977   41.104  554.877   27.416 -14.89990 49.40791 
1 1 1   26   14   11 o  138.862   8.8935  7878.39  997.482 12443.68  1968.28  6300.73  1157.07  174.019   14.050  123.793   11.648 50.22536 18.25048 
1 1 1   26   14   12 o  250.088   11.793 25508.47  2394.82 27725.52  4513.81 24639.91  2825.24  258.456   21.710  245.130   14.256 13.32645 25.97234 
1 1 1   26   14   13 o  219.279   8.1946 19572.62  1459.02 18138.88  2057.61 21022.51  2069.17  210.426   12.094  226.992   11.227 -16.56679 16.50121 
1 1 1   26   14   14 o  395.797   16.318 64477.12  5244.10 69285.67  7454.17 59765.13  7378.95  407.160   22.637  377.284   24.215 29.87595 33.14808 
1 1 1   26   14   15 o   24.472   10.066   75.457  321.779 -38.8690  372.059  414.778  640.980   24.162   10.420   38.356   14.700 -14.19394 18.01873 
1 1 1   26   14   16 o  193.410   9.5982 15322.97  1507.32 18309.64  2162.99 12503.26  2101.67  210.348   12.724  172.964   15.117 37.38470 19.75893 
1 1 1   26   14   17 o   38.792   10.861  637.144  355.649  992.726  411.351 -415.5927  707.786   48.184   10.783   29.566   13.451 18.61825 17.23958 
1 1 1   26   14   18 o  107.997   8.2995  4810.75  722.214  5097.79  929.418  4373.29  1147.42  110.691   10.465  101.346   14.344 9.345833 17.75603 
1 1 1   26   14   19 o  160.851   9.3513 10705.80  1216.07 11674.85  1705.13  9702.72  1734.81  166.706   12.692  151.202   14.300 15.50447 19.12051 
1 1 1   26   14   20 o   29.517   10.512  315.232  317.402  450.683  337.740 -708.9173  928.694   33.369   10.866   32.085   14.889 1.284309 18.43280 
1 1 1   26   14   21 o   29.988   11.697  247.757  411.224   72.183  441.062  1415.25  1137.36   27.673   11.616   57.243   19.941 -29.57050 23.07754 
1 1 1   26   14   22 f   66.073   11.663  1914.11  602.810  2201.38  695.010  1041.74  1211.15   70.572   12.591   51.963   20.129 18.60872 23.74222 
1 1 1   26   14   23 o   74.957   10.785  2464.09  637.480  2542.15  706.220  2120.69  1481.32   75.571   11.903   63.544   22.702 12.02655 25.63316 
1 1 1   26   16    0 o  888.266   64.729 342335.50 46363.92   0.0000   0.0000 342335.50 46363.92  ?   ?   888.266   64.729 0.000000 64.72877 
1 1 1   26   16    1 f  267.615   22.353 29504.47  4812.68   0.0000   0.0000 29504.47  4812.68  ?   ?   267.615   22.353 0.000000 22.35277 
1 1 1   26   16    2 o  267.382   15.899 29248.90  3436.17 30113.95  4822.56 28356.84  4897.26  270.364   22.163  262.107   23.253 8.257507 32.12272 
1 1 1   26   16    3 o  838.861   33.428 291332.09 22768.53 294239.50 39411.60 289875.69 27894.37  824.358   59.276  832.546   41.264 -8.188354 72.22429 
1 1 1   26   16    4 o  832.086   27.421 285032.09 18526.51 333233.91 32389.47 261593.09 22586.17  888.309   45.053  793.670   35.048 94.63928 57.08024 
1 1 1   26   16    5 o  686.597   24.224 193573.50 13504.91 219246.30 23685.54 181206.80 16438.87  722.372   40.546  662.088   30.579 60.28461 50.78381 
1 1 1   26   16    6 o  395.221   15.918 63745.57  5108.08 64561.77  9141.92 63375.07  6159.26  394.444   28.742  393.595   19.273 0.8484802 34.60518 
1 1 1   26   16    7 o  493.291   25.426 100454.00 10149.44 97448.62 14505.50 103336.50 14206.13  481.231   37.417  496.504   35.472 -15.27365 51.55850 
1 1 1   26   16    8 o  466.907   19.932 89349.38  7556.52 83795.72 13428.26 91923.05  9141.25  445.453   37.474  472.022   23.929 -26.56882 44.46266 
1 1 1   26   16    9 o  277.407   13.575 31394.55  3057.75 24494.41  5649.33 34253.62  3636.48  241.215   29.456  289.135   15.547 -47.92073 33.30687 
1 1 1   26   16   10 o  541.056   22.042 120547.40  9683.31 121112.60 17122.71 120281.70 11741.16  532.577   39.886  538.627   26.846 -6.050293 48.07902 
1 1 1   26   16   11 o  333.708   14.521 45526.12  3934.73 47918.00  7186.75 44502.21  4702.08  338.737   26.337  328.928   17.670 9.809143 31.71526 
1 1 1   26   16   12 o  208.055   10.892 17702.25  1833.71 21146.81  3612.37 16506.57  2128.30  225.661   19.919  200.547   13.143 25.11423 23.86458 
1 1 1   26   16   13 o  425.774   17.728 74738.83  6128.79 81317.28 11103.17 71856.13  7349.96  435.980   31.579  415.298   21.874 20.68185 38.41447 
1 1 1   26   16   14 o  210.565   11.352 18209.92  1933.73 24642.58  4262.60 16543.05  2169.85  241.527   21.976  200.200   13.426 41.32669 25.75272 
1 1 1   26   16   15 o  190.153   11.305 14901.30  1737.57 17056.12  4038.34 14411.75  1924.86  197.717   25.767  186.606   12.781 11.11060 28.76271 
1 1 1   26   16   16 o  131.757   7.7332  7119.69  823.687  6905.39  1125.82  7366.54  1208.29  129.123   10.838  133.289   11.270 -4.166351 15.63602 
1 1 1   26   16   17 o  136.159   8.9040  7640.78  978.971  9306.20  1318.11  5591.94  1461.99  149.792   10.912  114.292   16.208 35.49937 19.53923 
1 1 1   26   16   18 o   47.722   10.510  977.366  396.255  1006.94  446.866  868.535  857.203   48.320   11.547   48.186   17.264 0.1335144 20.76952 
1 1 1   26   16   19 o  109.927   8.5517  5009.17  757.294  6087.15  976.171  3379.79  1200.14  120.796   10.044   87.151   17.567 33.64500 20.23512 
1 1 1   26   16   20 o   76.764   8.9375  2473.23  546.646  2195.46  623.290  3398.91  1137.83   71.637   11.073   87.175   16.683 -15.53825 20.02282 
1 1 1   26   16   21 o  189.056   11.069 15168.65  1691.81 16635.72  2441.38 13813.28  2346.59  193.940   15.636  175.685   16.649 18.25490 22.84018 
1 1 1   26   16   22 o   80.177   9.9177  2764.39  631.880  3000.73  703.104  1771.94  1440.80   83.235   10.647   60.660   22.288 22.57501 24.70103 
1 1 1   26   18    0 o  384.773   20.481 60780.58  6375.69   0.0000   0.0000 60780.58  6375.69  ?   ?   384.773   20.481 0.000000 20.48099 
1 1 1   26   18    1 o  199.964   13.408 16364.66  2164.31   0.0000   0.0000 16364.66  2164.31  ?   ?   199.964   13.408 0.000000 13.40764 
1 1 1   26   18    2 o  487.463   20.573 97299.69  8142.89 91886.44 14156.48 99976.33  9954.52  467.693   37.596  492.522   24.974 -24.82831 45.13461 
1 1 1   26   18    3 o  669.889   27.410 185029.50 14909.21 185501.91 25837.14 184793.70 18255.16  658.412   48.674  665.976   33.871 -7.563965 59.29910 
1 1 1   26   18    4 o  494.307   25.657 100859.20 10262.48 96193.82 14647.78 105357.10 14382.53  478.010   38.055  501.499   35.551 -23.48831 52.07710 
1 1 1   26   18    5 o  158.166   9.6014 10214.66  1227.23  7694.83  2478.71 11032.95  1412.51  134.958   23.472  164.299   10.645 -29.34123 25.77325 
1 1 1   26   18    6 o  474.013   24.714 92790.95  9478.91 90255.20 13564.27 95211.16 13251.61  462.941   36.379  476.405   34.491 -13.46454 50.12988 
1 1 1   26   18    7 o  544.919   20.704 121880.00  9160.79 134290.41 16264.91 116114.10 11086.46  564.971   35.638  530.296   25.748 34.67480 43.96629 
1 1 1   26   18    8 o  175.010   10.829 12522.81  1531.21  8056.17  3117.90 13942.50  1757.79  136.808   28.970  184.587   11.790 -47.77979 31.27715 
1 1 1   26   18    9 o  619.007   24.487 158429.00 12307.52 161385.20 21765.34 157039.50 14922.31  611.121   44.160  613.535   29.954 -2.413696 53.36103 
1 1 1   26   18   10 o  146.546   9.3261  8779.82  1103.94 14384.10  2482.19  7397.96  1232.55  186.644   16.550  134.212   11.419 52.43248 20.10740 
1 1 1   26   18   11 o   66.292   12.122  1850.11  628.427  3736.02  1673.54  1540.53  678.047   93.182   22.396   60.169   14.121 33.01352 26.47659 
1 1 1   26   18   12 f  131.510   9.9978  7096.50  1059.59  6243.44  2287.79  7329.46  1195.55  120.248   24.268  133.498   11.131 -13.24955 26.69894 
1 1 1   26   18   13 o   68.686   13.665  2005.79  735.289  2439.30  2188.62  1950.64  780.664   79.112   27.656   67.561   14.653 11.55090 31.29788 
1 1 1   26   18   14 o  188.976   11.466 14719.56  1751.11 16245.92  4102.90 14379.60  1936.32  192.408   27.006  186.408   12.872 5.999741 29.91654 
1 1 1   26   18   15 o   90.819   12.552  3467.46  900.860  3914.52  2652.78  3409.18  957.778   93.735   30.450   89.789   13.560 3.945778 33.33233 
1 1 1   26   18   16 f   64.857   16.661  1836.63  882.021  1872.34  3236.03  1833.76  916.730   79.487   32.213   64.789   17.155 14.69829 36.49674 
1 1 1   26   18   17 o   35.374   14.829  117.750  717.268 -1200.6960  2769.36  212.553  742.608   57.626   26.366   37.106   15.281 20.51966 30.47406 
1 1 1   26   18   18 o  207.092   13.013 18051.18  2176.97 23281.79  5632.10 17132.44  2360.43  216.449   33.098  200.833   14.574 15.61641 36.16459 
1 1 1   26   18   19 o   75.564   18.314  2596.41  1111.94  2908.47  3721.71  2565.82  1165.16   83.334   34.250   74.864   19.105 8.470589 39.21797 
1 1 1   26   18   20 o   61.552   20.394  1726.10  1187.78   0.0000   0.0000  1726.10  1187.78  ?   ?    61.552   20.394 0.000000 20.39373 
1 1 1   26   18   21 o   83.568   21.235  3476.75  1443.88   0.0000   0.0000  3476.75  1443.88  ?   ?    83.568   21.235 0.000000 21.23536 
1 1 1   26   18   22 o   49.473   19.990  941.002  1242.13   0.0000   0.0000  941.002  1242.13  ?   ?    49.473   19.990 0.000000 19.98990 
1 1 1   26   20    0 f  653.184   33.107 178116.91 17501.47   0.0000   0.0000 178116.91 17501.47  ?   ?   653.184   33.107 0.000000 33.10719 
1 1 1   26   20    1 o  526.704   27.100 114868.00 11550.34   0.0000   0.0000 114868.00 11550.34  ?   ?   526.704   27.100 0.000000 27.09967 
1 1 1   26   20    2 o  560.115   23.531 129056.10 10701.56 124589.30 18645.79 131250.20 13068.26  540.770   42.815  562.375   28.715 -21.60504 51.55242 
1 1 1   26   20    3 o  396.793   17.427 64395.90  5614.83 62129.97  9785.01 65508.27  6855.87  385.331   31.551  398.945   21.241 -13.61392 38.03491 
1 1 1   26   20    4 o  175.409   11.400 12585.10  1614.84 10443.83  2862.10 13585.08  1955.89  157.742   23.024  182.035   13.325 -24.29256 26.60235 
1 1 1   26   20    5 o  436.318   16.463 77847.92  5832.43 86785.19 10596.28 73963.38  6985.90  456.499   28.734  424.508   20.267 31.99158 35.16270 
1 1 1   26   20    6 o  372.121   12.152 56453.68  3671.82 70907.03  6868.12 50669.44  4344.86  415.482   20.359  352.128   15.196 63.35352 25.40469 
1 1 1   26   20    7 o   83.346   7.8821  2850.63  527.082  7753.57  1450.65  2104.91  565.747  137.212   13.183   71.197   10.067 66.01424 16.58721 
1 1 1   26   20    8 o  432.991   19.215 77043.65  6755.53 68727.76 12257.42 80671.65  8096.14  400.361   38.168  441.480   22.662 -41.11923 44.38873 
1 1 1   26   20    9 o  366.685   15.957 55096.54  4750.84 54207.95  8813.28 55460.50  5640.52  358.147   30.600  366.714   19.008 -8.566711 36.02361 
1 1 1   26   20   10 o  339.763   14.911 47310.72  4113.57 49292.89  7733.88 46528.72  4857.70  341.694   28.125  335.799   17.881 5.895264 33.32778 
1 1 1   26   20   11 o   50.828   14.011  1092.30  596.880  2710.39  2039.55  940.735  624.209   81.460   26.711   47.840   14.673 33.62018 30.47557 
1 1 1   26   20   12 o  384.148   16.550 61064.05  5162.25 69391.55  9765.94 57834.97  6081.30  399.796   30.310  371.624   20.230 28.17227 36.44061 
1 1 1   26   20   13 o  142.514   11.038  8384.70  1267.33  7197.00  3441.25  8571.06  1363.14  124.757   33.336  143.939   11.766 -19.18149 35.35126 
1 1 1   26   20   14 o  351.668   15.477 51536.84  4419.27 63197.21  8727.35 47516.03  5124.88  376.926   28.732  335.082   18.914 41.84460 34.39873 
1 1 1   26   20   15 o  206.567   12.426 17736.29  2074.50 21305.20  5035.19 17006.64  2276.71  215.700   29.524  201.631   13.993 14.06883 32.67246 
1 1 1   26   20   16 o   43.503   16.106  645.558  754.799 -3082.6130  2860.91  924.481  782.525   51.459   24.556   48.363   16.556 3.096176 29.61573 
1 1 1   26   20   17 o  156.161   12.507 10252.60  1572.49 12261.39  4319.93  9945.78  1688.32  154.530   35.214  153.267   13.711 1.262665 37.78910 
1 1 1   26   20   18 o   79.193   16.202  2784.57  1006.71  819.022  4606.86  2883.14  1031.65   78.158   35.049   80.566   16.329 -2.408470 38.66629 
1 1 1   26   20   19 o   73.225   19.864  2511.47  1211.00   0.0000   0.0000  2511.47  1211.00  ?   ?    73.225   19.864 0.000000 19.86403 
1 1 1   26   20   20 o   50.942   19.443  1007.49  1118.39   0.0000   0.0000  1007.49  1118.39  ?   ?    50.942   19.443 0.000000 19.44254 
1 1 1   26   20   21 o   68.375   20.673  2392.08  1245.21   0.0000   0.0000  2392.08  1245.21  ?   ?    68.375   20.673 0.000000 20.67296 
1 1 1   26   22    0 o  192.519   14.484 15221.30  2247.61   0.0000   0.0000 15221.30  2247.61  ?   ?   192.519   14.484 0.000000 14.48450 
1 1 1   26   22    1 o  260.417   16.583 27858.24  3488.19   0.0000   0.0000 27858.24  3488.19  ?   ?   260.417   16.583 0.000000 16.58282 
1 1 1   26   22    2 o  320.238   15.351 41918.11  3991.50 42152.91  7078.71 41808.66  4833.13  317.588   27.729  318.754   18.757 -1.166229 33.47662 
1 1 1   26   22    3 o  250.234   13.707 25638.22  2774.48 25179.92  4922.10 25851.65  3358.95  245.572   25.035  250.786   16.589 -5.214645 30.03256 
1 1 1   26   22    4 o  408.018   18.589 68304.55  6158.63 93073.25 10742.49 56178.35  7516.50  472.319   28.139  367.562   25.340 104.7577 37.86701 
1 1 1   26   22    5 o  110.319   15.104  5067.78  1317.44  5304.27  2107.84  4916.17  1687.71  111.208   24.044  107.677   20.041 3.530777 31.30097 
1 1 1   26   22    6 o  296.409   12.709 35865.59  3058.80 40732.14  5972.58 34135.32  3561.29  312.924   23.682  288.428   15.261 24.49603 28.17304 
1 1 1   26   22    7 o  360.904   17.974 53509.08  5267.25 44367.77  9803.38 57218.97  6245.28  320.057   38.495  371.926   20.763 -51.86884 43.73796 
1 1 1   26   22    8 o  135.623   10.264  7542.27  1121.92  3545.97  2803.92  8304.05  1224.19   93.755   31.344  142.289   10.674 -48.53386 33.11125 
1 1 1   26   22    9 o   89.039   9.3581  3267.49  666.436  4704.70  1922.84  3071.27  710.473  104.326   23.289   86.143   10.366 18.18314 25.49178 
1 1 1   26   22   10 o  249.878   12.667 25659.47  2561.69 26725.83  5403.98 25350.39  2909.34  249.822   27.074  247.897   14.517 1.924667 30.72045 
1 1 1   26   22   11 o   59.054   13.144  1489.98  614.054  3807.14  2305.94  1313.12  637.056   93.273   28.117   55.395   14.121 37.87730 31.46386 
1 1 1   26   22   12 o   86.748   12.040  3154.13  825.220 -433.3913  3121.21  3423.76  855.669   66.688   29.437   90.465   11.941 -23.77724 31.76628 
1 1 1   26   22   13 o  119.470   11.510  5934.14  1102.69  2150.74  3578.76  6331.01  1159.08   84.385   33.989  123.384   11.710 -38.99886 35.94956 
1 1 1   26   22   14 o  169.721   12.027 11978.63  1646.68  8829.01  4418.97 12486.51  1774.48  132.154   38.701  173.060   12.717 -40.90639 40.73663 
1 1 1   26   22   15 o  252.929   13.716 26819.21  2806.39 28243.93  6482.74 26490.63  3113.23  241.430   34.012  250.355   15.390 -8.925110 37.33191 
1 1 1   26   22   16 o  180.223   12.564 13638.88  1827.06 17249.91  4935.97 13065.57  1966.76  185.525   34.020  175.730   13.897 9.794830 36.74931 
1 1 1   26   22   17 o   91.415   14.306  3622.80  1027.08  865.616  4128.10  3804.73  1060.42   75.864   33.652   93.688   14.401 -17.82406 36.60344 
1 1 1   26   22   18 o  116.394   14.348  5890.62  1327.33 14977.38  5606.35  5351.04  1366.17  151.303   43.386  110.152   15.721 41.15129 46.14676 
1 1 1   26   22   19 f   81.399   19.616  3165.58  1281.18   0.0000   0.0000  3165.58  1281.18  ?   ?    81.399   19.616 0.000000 19.61561 
1 1 1   26   22   20 o   55.014   20.414  1369.61  1213.98   0.0000   0.0000  1369.61  1213.98  ?   ?    55.014   20.414 0.000000 20.41429 
1 1 1   26   24    0 o  118.389   15.176  5827.61  1425.21   0.0000   0.0000  5827.61  1425.21  ?   ?   118.389   15.176 0.000000 15.17552 
1 1 1   26   24    1 o  368.005   21.110 56013.19  6281.40   0.0000   0.0000 56013.19  6281.40  ?   ?   368.005   21.110 0.000000 21.10977 
1 1 1   26   24    2 o  323.554   19.658 43234.61  5139.90   0.0000   0.0000 43234.61  5139.90  ?   ?   323.554   19.658 0.000000 19.65767 
1 1 1   26   24    3 o  379.567   17.760 59159.68  5473.42 56729.24  9711.67 60291.03  6625.98  365.304   33.101  381.613   21.471 -16.30933 39.45511 
1 1 1   26   24    4 o  180.484   13.527 13389.02  1967.96 15337.93  3570.74 12538.77  2358.49  191.044   23.515  174.013   16.906 17.03090 28.96163 
1 1 1   26   24    5 o  495.661   21.850 101650.50  8793.74 98785.47 15291.35 103066.20 10749.02  476.988   39.847  496.109   26.783 -19.12164 48.01180 
1 1 1   26   24    6 o  127.883   9.2599  6698.92  955.012  7540.88  2699.57  6578.48  1021.04  132.190   26.077  126.626   10.012 5.564812 27.93345 
1 1 1   26   24    7 o  184.212   9.4589 13874.02  1410.04 15645.92  2402.39 12942.84  1741.57  194.592   15.329  177.490   12.158 17.10245 19.56487 
1 1 1   26   24    8 o  356.516   13.322 52146.39  3856.52 72187.82  7706.24 45450.15  4454.44  414.640   22.979  331.906   16.529 82.73373 28.30619 
1 1 1   26   24    9 o  120.607   9.6927  5983.54  941.180 10301.09  3366.19  5617.39  980.277  152.878   28.155  116.707   10.455 36.17109 30.03391 
1 1 1   26   24   10 o  329.678   14.806 44985.98  3963.44 52857.45  8159.63 42555.28  4534.28  346.922   29.239  318.961   17.576 27.96063 34.11518 
1 1 1   26   24   11 o  166.701   10.662 11462.02  1435.55 16727.90  3951.30 10661.26  1540.83  195.065   25.563  160.431   11.914 34.63391 28.20241 
1 1 1   26   24   12 o  129.760   11.342  6993.59  1182.99 10943.21  4064.00  6627.94  1236.54  151.578   33.873  126.063   12.234 25.51433 36.01465 
1 1 1   26   24   13 o  160.046   11.711 10654.60  1511.26 12516.01  4689.12 10438.84  1596.45  158.367   37.114  158.135   12.536 0.2320099 39.17379 
1 1 1   26   24   14 o  219.234   13.032 20123.64  2309.33 18431.08  6112.79 20405.42  2494.17  186.214   41.490  220.247   14.020 -34.03329 43.79506 
1 1 1   26   24   15 o   47.005   17.524  768.247  896.654  3935.57  4217.04  618.271  917.637   93.572   37.163   45.235   17.521 48.33638 41.08600 
1 1 1   26   24   16 o  121.799   13.701  6351.96  1331.50 -529.3449  4470.44  7021.83  1394.80   72.466   33.282  128.167   13.611 -55.70055 35.95770 
1 1 1   26   24   17 o   49.524   18.760  887.211  1036.35   0.0000   0.0000  887.211  1036.35  ?   ?    49.524   18.760 0.000000 18.76001 
1 1 1   26   24   18 o  108.790   17.132  5395.45  1463.31   0.0000   0.0000  5395.45  1463.31  ?   ?   108.790   17.132 0.000000 17.13224 
1 1 1   26   24   19 o   35.638   16.062 -248.1380  981.280   0.0000   0.0000 -248.1380  981.280  ?   ?    35.638   16.062 0.000000 16.06190 
1 1 1   26   24   20 o   60.987   24.816  1952.26  1929.54   0.0000   0.0000  1952.26  1929.54  ?   ?    60.987   24.816 0.000000 24.81622 
1 1 1   26   26    0 o  294.805   19.005 35996.72  4525.13   0.0000   0.0000 35996.72  4525.13  ?   ?   294.805   19.005 0.000000 19.00546 
1 1 1   26   26    1 o  366.331   21.764 55831.47  6444.71   0.0000   0.0000 55831.47  6444.71  ?   ?   366.331   21.764 0.000000 21.76443 
1 1 1   26   26    2 o  100.622   19.067  4311.74  1500.75   0.0000   0.0000  4311.74  1500.75  ?   ?   100.622   19.067 0.000000 19.06652 
1 1 1   26   26    3 o   58.766   19.102  1382.72  1043.96  703.359  2106.57  1603.89  1201.94   63.442   25.885   63.143   20.495 0.2984543 33.01682 
1 1 1   26   26    4 o  312.258   16.466 40253.28  4160.10 38364.97  7420.64 41118.75  5023.80  298.602   31.061  314.464   19.776 -15.86252 36.82219 
1 1 1   26   26    5 o  196.896   17.490 16137.79  2767.07 21380.62  4666.62 13294.95  3436.34  223.734   26.183  176.348   24.674 47.38576 35.97763 
1 1 1   26   26    6 o   80.668   21.647  2818.00  1447.44  3201.76  3065.05  2707.85  1642.07   90.978   32.639   79.540   23.671 11.43805 40.31900 
1 1 1   26   26    7 f   27.122   9.8758  244.918  281.954 -3056.0249  3179.49  271.082  283.069   56.802   26.742   27.841   9.9263 28.96065 28.52526 
1 1 1   26   26    8 o  263.347   13.790 28715.29  2938.51 32363.24  6730.57 27856.20  3266.24  269.252   31.374  258.653   15.626 10.59912 35.05010 
1 1 1   26   26    9 o  144.656   10.391  8633.95  1212.40 14943.47  3807.36  7921.96  1278.97  183.911   26.240  138.279   11.495 45.63139 28.64787 
1 1 1   26   26   10 o  102.231   10.495  4341.63  858.842  8238.15  3912.92  4144.41  880.309  130.439   35.841   99.732   11.057 30.70707 37.50753 
1 1 1   26   26   11 f   80.001   12.776  2716.76  801.994  1384.03  3951.30  2774.02  819.042   81.574   34.532   80.821   12.916 0.7530746 36.86848 
1 1 1   26   26   12 o   84.897   12.613  3057.43  843.013  4899.90  4397.06  2987.12  858.948  102.646   38.700   83.774   13.053 18.87165 40.84184 
1 1 1   26   26   13 o  123.950   12.192  6456.76  1211.15 16683.30  5064.83  5836.51  1247.34  181.910   35.565  117.400   13.321 64.50915 37.97768 
1 1 1   26   26   14 o   83.714   15.054  3055.09  985.626 -3910.9409  5033.07  3332.89  1005.09   67.537   32.321   87.677   14.634 -20.14017 35.47997 
1 1 1   26   26   15 o   41.062   16.274  453.424  807.161  1932.37  4262.73  398.425  822.032   80.574   35.009   40.583   16.310 39.99081 38.62201 
1 1 1   26   26   16 o   42.409   17.429  385.135  963.739   0.0000   0.0000  385.135  963.739  ?   ?    42.409   17.429 0.000000 17.42924 
1 1 1   26   26   17 o   43.502   17.312  574.185  916.817   0.0000   0.0000  574.185  916.817  ?   ?    43.502   17.312 0.000000 17.31182 
1 1 1   26   26   18 o   43.005   18.383  316.482  1139.01   0.0000   0.0000  316.482  1139.01  ?   ?    43.005   18.383 0.000000 18.38340 
1 1 1   26   26   19 o   71.407   26.057  3101.93  1964.42   0.0000   0.0000  3101.93  1964.42  ?   ?    71.407   26.057 0.000000 26.05727 
1 1 1   26   28    0 o  320.013   20.907 42996.25  5402.50   0.0000   0.0000 42996.25  5402.50  ?   ?   320.013   20.907 0.000000 20.90653 
1 1 1   26   28    1 o  331.808   21.351 46300.27  5721.76   0.0000   0.0000 46300.27  5721.76  ?   ?   331.808   21.351 0.000000 21.35093 
1 1 1   26   28    2 o  275.944   19.698 31938.95  4384.57   0.0000   0.0000 31938.95  4384.57  ?   ?   275.944   19.698 0.000000 19.69844 
1 1 1   26   28    3 o   39.903   17.831 -457.1142  1181.13   0.0000   0.0000 -457.1142  1181.13  ?   ?    39.903   17.831 0.000000 17.83078 
1 1 1   26   28    4 o   79.035   21.482  2722.16  1414.70 -164.4095  3495.01  3287.79  1547.11   72.166   31.522   86.609   21.967 -14.44256 38.42130 
1 1 1   26   28    5 o  115.566   19.114  5737.25  1730.90  3283.17  3843.64  6361.52  1938.59   94.363   36.037  121.403   20.389 -27.04009 41.40473 
1 1 1   26   28    6 o  153.184   17.731  9948.51  2164.57 14390.30  4573.36  8666.25  2457.23  176.602   33.110  141.169   22.168 35.43391 39.84551 
1 1 1   26   28    7 o   49.573   9.7986  1042.91  380.433 -2165.7051  3475.89  1081.81  382.733   62.475   28.926   50.532   9.6805 11.94236 30.50317 
1 1 1   26   28    8 o  256.478   12.124 27190.04  2524.84 38693.29  6755.64 25322.38  2722.10  293.159   28.751  246.577   13.649 46.58195 31.82625 
1 1 1   26   28    9 o   72.485   11.373  2220.03  647.351  6975.76  4362.33  2112.95  654.598  118.175   39.080   70.565   11.844 47.61066 40.83505 
1 1 1   26   28   10 o   71.194   11.708  2152.15  653.278 -2637.4509  4521.74  2254.25  660.204   69.184   32.354   72.946   11.530 -3.761559 34.34740 
1 1 1   26   28   11 o  120.455   10.988  6058.33  1062.90  9981.25  4522.79  5829.00  1093.52  137.177   38.845  117.959   11.566 19.21828 40.53034 
1 1 1   26   28   12 o  182.822   12.612 14047.32  1860.67 10865.43  6509.60 14330.41  1941.68  131.641   47.526  184.443   13.049 -52.80278 49.28461 
1 1 1   26   28   13 o  179.018   12.951 13559.50  1869.75 21450.94  7001.07 12953.41  1940.22  186.699   46.388  174.472   13.809 12.22714 48.40002 
1 1 1   26   28   14 f  164.645   12.849 11540.51  1704.09 13647.57  6396.25 11379.52  1767.99  138.158   47.335  163.115   13.469 -24.95724 49.21368 
1 1 1   26   28   15 o   92.383   18.033  3915.20  1304.16   0.0000   0.0000  3915.20  1304.16  ?   ?    92.383   18.033 0.000000 18.03327 
1 1 1   26   28   16 o  108.279   15.175  5257.35  1297.49   0.0000   0.0000  5257.35  1297.49  ?   ?   108.279   15.175 0.000000 15.17454 
1 1 1   26   28   17 o   53.595   20.340  1262.00  1219.74   0.0000   0.0000  1262.00  1219.74  ?   ?    53.595   20.340 0.000000 20.34030 
1 1 1   26   30    0 f  173.361   19.166 12827.21  2652.80   0.0000   0.0000 12827.21  2652.80  ?   ?   173.361   19.166 0.000000 19.16640 
1 1 1   26   30    1 o   32.244   15.379 -1421.0900  1119.41   0.0000   0.0000 -1421.0900  1119.41  ?   ?    32.244   15.379 0.000000 15.37917 
1 1 1   26   30    2 o  237.606   20.080 24109.90  3837.68   0.0000   0.0000 24109.90  3837.68  ?   ?   237.606   20.080 0.000000 20.07976 
1 1 1   26   30    3 o  246.534   20.699 26063.00  4105.15   0.0000   0.0000 26063.00  4105.15  ?   ?   246.534   20.699 0.000000 20.69915 
1 1 1   26   30    4 o  278.142   21.595 33357.51  4838.85   0.0000   0.0000 33357.51  4838.85  ?   ?   278.142   21.595 0.000000 21.59513 
1 1 1   26   30    5 o  141.721   19.838  8704.70  2220.21 10895.10  5108.80  8194.70  2465.17  145.630   41.301  135.932   23.166 9.697906 47.35434 
1 1 1   26   30    6 o  187.909   18.346 15118.70  2763.45 19914.13  5577.11 13558.20  3181.47  203.429   35.028  175.391   22.885 28.03806 41.84152 
1 1 1   26   30    7 o  329.224   14.095 45298.17  3767.96 49989.61  9509.72 44424.49  4103.83  318.463   37.495  325.027   15.550 -6.564362 40.59149 
1 1 1   26   30    8 f  211.725   11.877 18666.15  2033.65 22422.78  6624.72 18275.31  2136.82  207.404   40.792  209.143   12.642 -1.739334 42.70578 
1 1 1   26   30    9 o  286.463   12.424 34220.92  2889.75 57390.21  8426.35 31132.80  3076.31  348.555   30.068  271.958   13.978 76.59659 33.15821 
1 1 1   26   30   10 o  142.977   10.975  8540.53  1264.36 17037.97  6475.13  8203.70  1289.18  169.150   45.952  139.940   11.446 29.20923 47.35590 
1 1 1   26   30   11 o   35.675   12.995  449.011  488.215 -4670.6079  5936.73  483.869  489.874   71.044   34.282   36.399   13.050 34.64501 36.68161 
1 1 1   26   30   12 o   66.906   14.235  1973.87  749.568 11414.12  6536.97  1848.09  754.545  126.429   47.281   64.558   14.721 61.87038 49.51964 
1 1 1   26   30   13 o  138.988   13.072  8295.45  1457.87   0.0000   0.0000  8295.45  1457.87  ?   ?   138.988   13.072 0.000000 13.07175 
1 1 1   26   30   14 o  129.346   14.209  7338.91  1467.68   0.0000   0.0000  7338.91  1467.68  ?   ?   129.346   14.209 0.000000 14.20876 
1 1 1   26   30   15 o  144.817   14.347  9329.90  1664.83   0.0000   0.0000  9329.90  1664.83  ?   ?   144.817   14.347 0.000000 14.34717 
1 1 1   26   30   16 o   44.255   18.586  508.525  1130.02   0.0000   0.0000  508.525  1130.02  ?   ?    44.255   18.586 0.000000 18.58587 
1 1 1   26   32    0 o   94.593   26.028  4139.86  2061.93   0.0000   0.0000  4139.86  2061.93  ?   ?    94.593   26.028 0.000000 26.02814 
1 1 1   26   32    1 o  207.506   21.084 18806.66  3503.07   0.0000   0.0000 18806.66  3503.07  ?   ?   207.506   21.084 0.000000 21.08406 
1 1 1   26   32    2 o  292.808   23.360 37896.46  5507.54   0.0000   0.0000 37896.46  5507.54  ?   ?   292.808   23.360 0.000000 23.35960 
1 1 1   26   32    3 o  213.589   22.503 20158.52  3843.97   0.0000   0.0000 20158.52  3843.97  ?   ?   213.589   22.503 0.000000 22.50335 
1 1 1   26   32    4 o   91.893   29.215  3958.89  2451.72   0.0000   0.0000  3958.89  2451.72  ?   ?    91.893   29.215 0.000000 29.21486 
1 1 1   26   32    5 o  178.808   20.957 14095.75  2984.94 13130.92  7100.83 14302.83  3289.71  145.557   49.873  178.569   23.240 -33.01250 55.02220 
1 1 1   26   32    6 o  187.581   22.089 15695.14  3299.85 17337.58  7315.38 15275.57  3697.39  166.771   50.037  182.266   25.696 -15.49524 56.24916 
1 1 1   26   32    7 o  231.979   13.215 22651.28  2478.79 25248.56  8313.86 22397.87  2596.91  200.822   50.915  230.204   13.959 -29.38197 52.79436 
1 1 1   26   32    8 o  176.357   11.337 13016.42  1614.83 23970.22  7313.44 12455.01  1655.70  200.933   45.840  172.230   11.913 28.70354 47.36237 
1 1 1   26   32    9 o  211.193   12.076 18772.19  2062.15 24832.54  8140.53 18356.63  2131.68  191.527   51.312  208.476   12.653 -16.94916 52.84878 
1 1 1   26   32   10 o   57.843   13.171  1470.98  604.719 22803.92  7534.79  1332.68  606.676  181.495   49.679   54.946   13.657 126.5493 51.52255 
1 1 1   26   32   11 o  136.027   12.158  7890.70  1328.73  5620.45  8621.03  7945.94  1344.80   97.561   45.306  136.446   12.270 -38.88437 46.93827 
1 1 1   26   32   12 f  203.343   14.205 18007.74  2330.55   0.0000   0.0000 18007.74  2330.55  ?   ?   203.343   14.205 0.000000 14.20456 
1 1 1   26   32   13 o  170.209   14.431 12819.35  1975.58   0.0000   0.0000 12819.35  1975.58  ?   ?   170.209   14.431 0.000000 14.43050 
1 1 1   26   32   14 o   52.875   19.193  1264.38  1063.78   0.0000   0.0000  1264.38  1063.78  ?   ?    52.875   19.193 0.000000 19.19328 
1 1 1   26   32   15 o   38.880   17.569 -151.5576  1183.02   0.0000   0.0000 -151.5576  1183.02  ?   ?    38.880   17.569 0.000000 17.56896 
1 1 1   26   34    0 o   97.716   27.824  4635.33  2313.81   0.0000   0.0000  4635.33  2313.81  ?   ?    97.716   27.824 0.000000 27.82375 
1 1 1   26   34    1 o  153.304   26.036 11023.25  3124.99   0.0000   0.0000 11023.25  3124.99  ?   ?   153.304   26.036 0.000000 26.03605 
1 1 1   26   34    2 o  212.590   25.855 21025.21  4371.04   0.0000   0.0000 21025.21  4371.04  ?   ?   212.590   25.855 0.000000 25.85457 
1 1 1   26   34    3 o  128.295   31.603  8327.56  3270.51   0.0000   0.0000  8327.56  3270.51  ?   ?   128.295   31.603 0.000000 31.60261 
1 1 1   26   34    4 o  180.505   28.169 15674.00  3993.67   0.0000   0.0000 15674.00  3993.67  ?   ?   180.505   28.169 0.000000 28.16851 
1 1 1   26   34    5 o  126.738   31.731  8263.29  3257.96   0.0000   0.0000  8263.29  3257.96  ?   ?   126.738   31.731 0.000000 31.73114 
1 1 1   26   34    6 o   62.338   25.893  1027.34  2157.86  7782.84  7238.00  368.337  2260.66  109.775   46.618   58.819   25.526 50.95619 53.14933 
1 1 1   26   34    7 o   35.757   17.620 -3428.1870  1820.99  9543.33  6806.04 -4428.3682  1889.90  115.326   46.724   34.011   16.961 81.31476 49.70771 
1 1 1   26   34    8 o  122.427   10.079  6298.51  993.030 11874.28  8448.51  6220.40  999.962  116.607   49.962  121.602   10.222 -4.994781 50.99732 
1 1 1   26   34    9 o   74.597   11.355  2397.10  666.050   0.0000   0.0000  2397.10  666.050  ?   ?    74.597   11.355 0.000000 11.35459 
1 1 1   26   34   10 o   16.294   7.7880 -384.0526  290.266   0.0000   0.0000 -384.0526  290.266  ?   ?    16.294   7.7880 0.000000 7.788022 
1 1 1   26   34   11 f   57.618   13.695  1503.75  631.302   0.0000   0.0000  1503.75  631.302  ?   ?    57.618   13.695 0.000000 13.69543 
1 1 1   26   34   12 o   37.393   14.723  442.398  656.648   0.0000   0.0000  442.398  656.648  ?   ?    37.393   14.723 0.000000 14.72345 
1 1 1   26   34   13 f   85.190   17.351  3530.96  1159.44   0.0000   0.0000  3530.96  1159.44  ?   ?    85.190   17.351 0.000000 17.35114 
1 1 1   26   36    0 o   88.343   31.122  4060.86  2774.57   0.0000   0.0000  4060.86  2774.57  ?   ?    88.343   31.122 0.000000 31.12176 
1 1 1   26   36    1 o  132.119   30.934  9175.17  3259.98   0.0000   0.0000  9175.17  3259.98  ?   ?   132.119   30.934 0.000000 30.93398 
1 1 1   26   36    2 o   87.262   31.549  3958.18  2870.08   0.0000   0.0000  3958.18  2870.08  ?   ?    87.262   31.549 0.000000 31.54897 
1 1 1   26   36    3 o   89.233   32.226  4246.35  2993.38   0.0000   0.0000  4246.35  2993.38  ?   ?    89.233   32.226 0.000000 32.22598 
1 1 1   26   36    4 o   67.804   29.498  1100.99  3033.72   0.0000   0.0000  1100.99  3033.72  ?   ?    67.804   29.498 0.000000 29.49766 
1 1 1   26   36    5 o  165.755   34.322 15429.11  4467.31   0.0000   0.0000 15429.11  4467.31  ?   ?   165.755   34.322 0.000000 34.32232 
1 1 1   26   36    6 o   93.021   34.500  5171.01  3466.45   0.0000   0.0000  5171.01  3466.45  ?   ?    93.021   34.500 0.000000 34.50045 
1 1 1   26   36    7 o  165.332   36.733 16739.16  4803.10   0.0000   0.0000 16739.16  4803.10  ?   ?   165.332   36.733 0.000000 36.73307 
1 1 1   26   36    8 o  180.851   12.291 14144.07  1794.15   0.0000   0.0000 14144.07  1794.15  ?   ?   180.851   12.291 0.000000 12.29095 
1 1 1   26   36    9 o   79.405   11.665  2764.21  729.678   0.0000   0.0000  2764.21  729.678  ?   ?    79.405   11.665 0.000000 11.66509 
1 1 1   26   36   10 o   64.067   13.598  1880.63  685.508   0.0000   0.0000  1880.63  685.508  ?   ?    64.067   13.598 0.000000 13.59835 
1 1 1   26   36   11 o   48.285   15.255  1095.86  669.322   0.0000   0.0000  1095.86  669.322  ?   ?    48.285   15.255 0.000000 15.25546 
1 1 1   26   38    0 o  106.541   37.440  7938.59  4013.51   0.0000   0.0000  7938.59  4013.51  ?   ?   106.541   37.440 0.000000 37.43972 
1 1 1   26   38    1 o   48.523   23.333 -2307.6030  2694.26   0.0000   0.0000 -2307.6030  2694.26  ?   ?    48.523   23.333 0.000000 23.33333 
1 1 1   26   38    2 o   83.386   33.872  4260.98  3586.95   0.0000   0.0000  4260.98  3586.95  ?   ?    83.386   33.872 0.000000 33.87227 
1 1 1   26   38    3 o   99.504   37.249  7182.13  4059.30   0.0000   0.0000  7182.13  4059.30  ?   ?    99.504   37.249 0.000000 37.24918 
1 1 1   26   38    4 o   67.573   29.677  1765.77  3135.59   0.0000   0.0000  1765.77  3135.59  ?   ?    67.573   29.677 0.000000 29.67748 
1 1 1   26   38    5 o   97.286   35.948  6990.07  3756.50   0.0000   0.0000  6990.07  3756.50  ?   ?    97.286   35.948 0.000000 35.94802 
1 1 1   26   38    6 o   68.860   31.342  2060.31  3848.61   0.0000   0.0000  2060.31  3848.61  ?   ?    68.860   31.342 0.000000 31.34209 
1 1 1   26   38    7 o   74.236   32.250  3725.56  3616.10   0.0000   0.0000  3725.56  3616.10  ?   ?    74.236   32.250 0.000000 32.25029 
1 1 1   26   38    8 o   55.012   11.893  1375.12  515.772   0.0000   0.0000  1375.12  515.772  ?   ?    55.012   11.893 0.000000 11.89335 
1 1 1   26   40    0 f   67.510   31.487  2512.76  4236.70   0.0000   0.0000  2512.76  4236.70  ?   ?    67.510   31.487 0.000000 31.48702 
1 1 1   26   40    1 o   56.268   26.800 -238.2150  3374.00   0.0000   0.0000 -238.2150  3374.00  ?   ?    56.268   26.800 0.000000 26.79954 
1 1 1   26   40    2 o   60.447   28.733  629.327  3840.10   0.0000   0.0000  629.327  3840.10  ?   ?    60.447   28.733 0.000000 28.73323 
1 1 1   26   40    3 o   49.309   24.315 -2939.3960  3488.30   0.0000   0.0000 -2939.3960  3488.30  ?   ?    49.309   24.315 0.000000 24.31451 
1 1 1   26   40    4 o   59.398   28.569  509.472  4044.46   0.0000   0.0000  509.472  4044.46  ?   ?    59.398   28.569 0.000000 28.56919 
1 1 1   27    1    0 o  609.635   29.680 151886.00 14691.75 151092.70 20772.09 152680.20 20782.46  604.503   42.592  607.738   42.381 -3.235535 60.08512 
1 1 1   27    1    1 o  225.289   8.9724 20617.44  1641.30 21434.77  2316.36 19793.33  2325.96  229.311   12.488  220.285   13.062 9.025879 18.07121 
1 1 1   27    1    3 o  1111.53   43.716 507404.50 39454.66 464359.00 68377.38 528889.69 48307.82  1046.02   81.142  1131.93   52.561 -85.90796 96.67819 
1 1 1   27    1    4 o  1069.00   35.985 467299.69 31235.08 442641.59 44170.23 491964.31 44175.92  1034.87   52.741  1093.27   49.765 -58.39587 72.51286 
1 1 1   27    1    5 f  631.150   21.610 162130.09 11074.50 157920.00 15663.64 166338.20 15659.79  622.077   31.011  638.526   30.204 -16.44958 43.28924 
1 1 1   27    1    6 o  532.271   18.439 115242.80  7968.90 116239.60 11272.71 114247.10 11266.75  534.058   25.996  529.444   26.208 4.613708 36.91417 
1 1 1   27    1    7 o   59.736   5.7441  1462.44  275.176  1412.60  404.695  1505.31  375.281   58.316   8.8225   60.373   7.8406 -2.057266 11.80303 
1 1 1   27    1    8 o  422.111   16.778 72534.84  5750.60 73067.77  7060.21 71484.41  9912.27  423.371   20.538  416.845   29.476 6.526428 35.92560 
1 1 1   27    1    9 f  460.161   15.705 86256.49  5867.99 89246.55  8305.80 83276.79  8291.41  467.328   21.889  450.753   22.728 16.57468 31.55407 
1 1 1   27    1   10 o  350.045   12.100 49870.37  3439.03 47442.05  4868.10 52289.60  4858.97  340.485   17.669  358.029   16.714 -17.54449 24.32220 
1 1 1   27    1   11 o  526.286   17.779 113127.40  7597.62 104559.50 10749.53 121679.70 10739.77  503.487   26.386  544.400   24.296 -40.91293 35.86833 
1 1 1   27    1   12 o  198.520   9.7012 16032.51  1563.76 16220.83  2791.09 15946.35  1887.88  198.472   17.499  197.537   11.825 0.9348297 21.11933 
1 1 1   27    1   13 o  306.198   11.359 38186.96  2824.11 37842.01  4003.29 38528.69  3984.56  303.868   16.285  306.659   16.058 -2.791504 22.87045 
1 1 1   27    1   14 o  570.247   19.806 133534.09  9170.59 136131.80 12977.54 130943.10 12960.81  572.570   27.914  560.586   28.569 11.98413 39.94232 
1 1 1   27    1   15 o  246.812   9.9043 24815.52  1984.86 25528.23  2820.38 24116.15  2793.85  249.527   13.977  242.457   14.254 7.070099 19.96318 
1 1 1   27    1   16 o  429.915   17.844 76134.34  6228.89 74193.67 10900.82 77075.18  7590.09  416.430   32.496  430.532   21.783 -14.10220 39.12155 
1 1 1   27    1   17 o  255.346   15.253 26979.96  3147.94 24079.42  4627.00 29479.42  4295.21  237.726   24.313  265.154   20.100 -27.42882 31.54559 
1 1 1   27    1   18 o  133.725   12.016  7415.72  1290.74  7415.72  1290.74   0.0000   0.0000  133.725   12.016  ?   ?  0.000000 12.01573 
1 1 1   27    1   19 o   52.821   18.934  1029.76  1031.28  1029.76  1031.28   0.0000   0.0000   52.821   18.934  ?   ?  0.000000 18.93436 
1 1 1   27    1   20 o  122.632   9.8996  6234.09  977.336  7608.56  1529.18  5284.94  1270.75  134.171   14.255  111.540   14.365 22.63034 20.23738 
1 1 1   27    1   21 o  158.151   9.4429 10361.29  1207.06  9862.85  1665.99 10912.08  1751.28  152.670   13.581  160.653   13.552 -7.982391 19.18608 
1 1 1   27    1   22 o   84.083   11.660  3015.84  774.657  3018.84  1126.07  3013.15  1067.34   81.896   17.467   82.183   16.567 -0.2872467 24.07431 
1 1 1   27    1   23 o   57.428   15.724  1496.24  754.681  1368.92  1040.13  1637.79  1096.68   55.757   19.088   59.880   19.584 -4.123051 27.34771 
1 1 1   27    1   24 o   42.597   15.731  716.500  719.117  612.437  1112.07  791.288  942.750   45.702   18.746   45.968   17.772 -0.2660027 25.83108 
1 1 1   27    3    0 o  340.022   17.591 47166.52  4840.07 47426.67  6839.03 46905.48  6850.77  340.134   24.937  338.224   25.125 1.909393 35.39957 
1 1 1   27    3    1 o  131.820   6.6530  7074.65  709.790  7342.70  983.509  6783.28  1025.39  134.140   9.0834  128.840   9.8769 5.299988 13.41868 
1 1 1   27    3    3 o  846.919   27.969 292548.59 19233.21 282282.50 27186.32 302835.19 27213.44  829.862   40.347  859.815   38.980 -29.95313 56.10054 
1 1 1   27    3    5 o  539.171   18.248 118234.60  7988.75 119362.00 11306.51 117110.70 11289.10  541.254   25.727  536.110   25.934 5.144043 36.53004 
1 1 1   27    3    6 o  377.557   13.329 57933.06  4086.06 60136.48  5792.86 55751.26  5764.38  384.482   18.556  369.669   19.271 14.81265 26.75246 
1 1 1   27    3    7 o  187.374   8.7724 14261.68  1334.64 14574.87  2282.89 14099.05  1645.07  188.723   15.022  185.952   10.944 2.771362 18.58570 
1 1 1   27    3    8 o  658.464   22.343 176939.70 11945.45 173115.00 16911.07 180748.41 16875.81  649.530   32.065  663.860   31.308 -14.33026 44.81453 
1 1 1   27    3    9 o  739.842   24.704 224170.91 14840.55 236339.70 21008.77 212050.70 20966.70  756.650   34.195  715.132   36.226 41.51758 49.81641 
1 1 1   27    3   10 o  669.041   33.976 185820.20 18396.28 207975.59 22553.49 141776.30 31799.27  705.183   39.548  563.450   71.088 141.7326 81.34878 
1 1 1   27    3   11 o  272.902   11.773 30317.38  2608.78 29230.21  3200.27 32470.76  4504.01  267.352   14.800  281.046   19.865 -13.69363 24.77217 
1 1 1   27    3   12 o  511.183   20.538 107076.30  8524.68 110788.00 14882.67 105264.00 10399.75  513.974   35.887  504.981   25.445 8.992554 43.99239 
1 1 1   27    3   13 o  782.870   31.302 255049.80 19897.73 259251.59 34587.08 252971.20 24326.44  767.523   55.883  774.710   38.672 -7.187134 67.95895 
1 1 1   27    3   14 o  444.208   18.348 80912.20  6617.97 80010.68 11603.96 81346.80  8056.72  435.779   33.040  443.772   22.432 -7.992554 39.93582 
1 1 1   27    3   15 o  148.193   11.300  9007.83  1349.50 11237.73  2081.95  7392.06  1772.22  164.917   15.739  133.257   16.749 31.66052 22.98351 
1 1 1   27    3   16 o  284.237   12.842 33056.78  2963.72 32783.52  3663.97 33573.96  5040.62  282.001   16.068  283.512   22.070 -1.511230 27.29992 
1 1 1   27    3   17 o   94.057   9.4263  3649.55  710.211  4096.22  885.028  2841.68  1190.25   99.406   11.158   81.141   18.479 18.26470 21.58651 
1 1 1   27    3   18 o  151.823   8.5569  9453.60  1050.55  9731.69  1528.18  9204.41  1446.58  153.212   12.390  149.060   12.055 4.151642 17.28714 
1 1 1   27    3   19 o  173.738   9.0764 12411.22  1275.96 12618.34  1831.07 12215.72  1779.02  174.027   13.053  171.269   12.887 2.757889 18.34317 
1 1 1   27    3   20 o   30.022   13.016 -64.0237  586.587 -451.7376  643.135  1854.41  1430.60   27.444   12.611   66.386   22.388 -38.94225 25.69546 
1 1 1   27    3   21 o   51.772   16.336  1140.54  767.678  1325.85  857.534  392.704  1722.66   55.446   17.230   53.864   22.801 1.581352 28.57921 
1 1 1   27    3   22 o  113.542   10.842  5431.61  987.360  5683.24  1392.93  5177.50  1399.77  114.132   15.426  108.370   16.422 5.761810 22.53120 
1 1 1   27    3   23 o   85.813   12.006  3184.94  813.633  3289.41  1129.52  3072.26  1173.01   84.817   16.993   81.258   18.227 3.559135 24.92009 
1 1 1   27    3   24 o   95.104   12.788  4004.74  962.446  4805.04  1314.22  3079.09  1413.40  101.715   16.476   77.467   21.638 24.24768 27.19678 
1 1 1   27    5    0 o  400.038   28.929 65666.05  9333.30   0.0000   0.0000 65666.05  9333.30  ?   ?   400.038   28.929 0.000000 28.92907 
1 1 1   27    5    1 o  442.720   22.110 79821.57  7948.14 78435.19 11269.63 81193.64 11211.33  436.971   31.985  444.747   31.244 -7.775452 44.71296 
1 1 1   27    5    2 o  535.291   18.081 116558.30  7858.82 111535.40 11097.13 121612.00 11131.06  523.070   26.128  546.274   25.095 -23.20441 36.22781 
1 1 1   27    5    3 f  766.784   24.500 239509.59 15253.71 232601.50 21575.84 246412.70 21568.16  754.286   35.228  776.511   34.208 -22.22491 49.10424 
1 1 1   27    5    4 o  1679.56   82.200 1187448.00 112100.10 1185744.00 158578.41 1189151.00 158488.59  1642.65  119.718  1645.30  119.450 -2.646118 169.1179 
1 1 1   27    5    5 o  500.416   17.751 101844.80  7212.74 107094.10 10217.32 96630.23 10183.47  512.738   24.542  486.272   25.885 26.46628 35.66949 
1 1 1   27    5    6 o  766.958   29.869 240168.70 18600.95 241542.41 32185.43 239479.80 22792.88  763.017   52.265  764.754   36.706 -1.737061 63.86691 
1 1 1   27    5    7 o  438.629   14.918 78255.02  5313.02 88909.66  7540.56 67750.65  7487.21  467.200   19.878  407.000   22.747 60.19922 30.20848 
1 1 1   27    5    8 o  459.919   15.592 86121.02  5822.65 88312.52  8261.88 83958.37  8207.33  465.093   21.878  453.434   22.292 11.65881 31.23403 
1 1 1   27    5    9 o  358.873   12.668 52417.44  3691.36 55283.56  5248.77 49612.54  5192.42  368.130   17.560  348.173   18.433 19.95627 25.45790 
1 1 1   27    5   10 o  417.828   16.397 71219.33  5562.80 73516.49  6829.63 66691.36  9588.54  424.040   19.836  401.101   29.652 22.93967 35.67474 
1 1 1   27    5   11 o  502.869   20.107 103498.90  8209.89 108972.50 14361.29 100841.70 10006.15  510.790   34.835  494.679   24.993 16.11176 42.87300 
1 1 1   27    5   12 o  301.858   13.128 37138.62  3217.77 35364.66  5734.19 37953.98  3887.55  292.181   24.393  304.486   15.778 -12.30573 29.05160 
1 1 1   27    5   13 o  687.624   33.800 197766.41 18871.64 203973.09 26832.40 191691.00 26546.95  686.405   48.455  664.382   49.567 22.02277 69.31684 
1 1 1   27    5   14 o  306.223   13.249 38276.27  3294.31 39795.95  4069.68 35387.89  5610.65  311.428   16.149  291.757   23.893 19.67154 28.83924 
1 1 1   27    5   15 o  273.960   12.412 30646.40  2761.10 30014.46  3412.84 31843.69  4697.62  270.231   15.621  277.020   21.042 -6.788971 26.20622 
1 1 1   27    5   16 f   57.349   10.371  1383.45  465.165  846.521  653.762  1933.99  662.001   46.271   15.120   67.699   12.504 -21.42867 19.62056 
1 1 1   27    5   17 o  147.246   8.2413  8874.35  981.366 10635.72  1432.90  7318.22  1346.82  160.754   11.045  132.890   12.634 27.86365 16.78098 
1 1 1   27    5   18 o   95.408   8.6699  3753.57  664.309  3420.06  948.018  4075.32  931.159   90.049   13.372   98.818   11.841 -8.768341 17.86100 
1 1 1   27    5   19 o  269.063   11.115 29853.88  2428.35 31561.11  3488.31 28248.59  3382.56  274.116   15.739  259.051   16.162 15.06454 22.55910 
1 1 1   27    5   20 o  204.905   9.6334 17297.14  1602.77 17733.39  2314.14 16894.95  2221.99  205.411   13.958  200.589   13.725 4.822037 19.57531 
1 1 1   27    5   21 o   92.215   12.171  3610.12  889.030  3923.05  1044.78  2788.97  1692.45   95.603   13.864   77.789   24.211 17.81388 27.89910 
1 1 1   27    5   22 o   93.671   13.165  3783.78  973.631  4020.41  1098.26  2915.09  2104.27   96.016   14.543   78.107   27.128 17.90811 30.78047 
1 1 1   27    5   23 o   58.759   14.293  1556.59  675.386  1867.46  824.943  924.643  1176.20   63.852   15.956   50.776   19.789 13.07562 25.42098 
1 1 1   27    5   24 o   25.148   11.817 -552.1263  615.460 -671.8037  762.245 -327.9571  1043.22   27.830   13.100   35.991   16.357 -8.160688 20.95615 
1 1 1   27    7    0 o  974.066   68.142 397879.69 53554.74   0.0000   0.0000 397879.69 53554.74  ?   ?   974.066   68.142 0.000000 68.14211 
1 1 1   27    7    1 o  546.458   26.872 121750.60 11923.22 119096.30 16896.59 124383.20 16827.57  537.844   38.954  549.907   37.919 -12.06293 54.36255 
1 1 1   27    7    2 o  531.503   26.075 115129.50 11252.85 117717.40 15945.73 112562.20 15882.33  535.173   36.921  523.141   37.642 12.03241 52.72649 
1 1 1   27    7    3 o  705.451   24.099 202690.59 13803.94 210000.30 19517.50 195374.50 19525.96  716.986   33.525  690.519   34.939 26.46698 48.42217 
1 1 1   27    7    4 o  324.768   14.043 42868.36  3703.12 53559.52  6321.26 37282.22  4569.27  362.099   21.598  302.163   18.716 59.93680 28.57917 
1 1 1   27    7    5 o  398.327   13.489 64487.21  4362.70 70512.85  6184.31 58517.80  6155.39  416.325   18.294  378.655   20.092 37.66980 27.17332 
1 1 1   27    7    6 o  472.233   15.216 90693.52  5834.44 99353.05  8270.86 82116.05  8231.57  493.906   20.624  448.304   22.688 45.60144 30.66047 
1 1 1   27    7    7 o  775.811   24.720 245889.00 15571.91 274596.59 22047.76 217315.00 21996.34  817.800   33.203  725.487   37.469 92.31317 50.06343 
1 1 1   27    7    8 o  510.522   19.359 106362.40  8024.69 140547.80 14056.74 89835.00  9773.88  584.079   29.738  467.546   25.846 116.5333 39.40015 
1 1 1   27    7    9 o  626.871   30.384 162051.70 15465.47 170729.41 21981.66 153545.80 21762.94  637.335   42.724  603.275   44.748 34.05969 61.86860 
1 1 1   27    7   10 o  930.690   45.111 365183.81 34089.75 389998.59 48340.67 340635.09 48080.74  943.182   63.491  876.418   68.100 66.76416 93.10593 
1 1 1   27    7   11 o  143.509   8.3391  8401.69  967.516  8229.40  1194.36  8730.58  1650.13  141.827   10.445  145.661   14.130 -3.833511 17.57109 
1 1 1   27    7   12 o   64.713   8.4849  1732.21  435.095  1421.52  569.972  2166.08  673.552   57.960   12.480   71.971   11.945 -14.01176 17.27520 
1 1 1   27    7   13 o  403.333   14.043 66408.10  4598.91 65841.13  6539.41 66962.89  6468.84  399.946   20.203  403.940   19.723 -3.994476 28.23366 
1 1 1   27    7   14 o  324.749   12.337 43027.65  3253.08 46661.36  4639.97 39514.85  4562.12  337.019   17.011  309.793   18.217 27.22647 24.92435 
1 1 1   27    7   15 o  191.717   8.4917 14965.62  1321.88 14961.52  1887.60 14969.57  1851.75  191.008   12.235  191.096   11.995 -0.8840942E-01 17.13420 
1 1 1   27    7   16 o  189.670   8.4918 14665.11  1307.78 14885.05  1876.21 14457.27  1823.86  190.291   12.207  187.557   12.040 2.733658 17.14571 
1 1 1   27    7   17 o   55.111   12.167  1295.94  529.880  1774.22  759.057  841.334  740.032   64.280   14.843   46.954   16.100 17.32526 21.89849 
1 1 1   27    7   18 o  118.271   8.6217  5753.86  822.263  5749.53  1194.28  5757.76  1133.79  117.333   12.740  117.592   12.044 -0.2584839 17.53244 
1 1 1   27    7   19 o  144.584   8.8032  8606.01  1028.55  8661.91  1501.19  8556.54  1412.06  143.898   12.988  143.243   12.259 0.6553345 17.85977 
1 1 1   27    7   20 o  238.179   10.532 23458.59  2036.76 24012.09  2926.40 22938.57  2836.54  238.203   15.210  232.877   15.082 5.326157 21.41976 
1 1 1   27    7   21 o  136.379   9.6474  7735.60  1061.41  7188.10  1424.37  8419.25  1591.64  129.868   13.715  140.444   14.150 -10.57549 19.70615 
1 1 1   27    7   22 o  111.860   10.197  5264.32  915.974  5139.40  1189.64  5446.21  1435.49  108.993   13.748  110.843   16.449 -1.850060 21.43783 
1 1 1   27    7   23 f   24.483   11.722 -841.7526  663.654 -1004.2960  736.785 -142.7401  1527.92   25.284   12.169   45.367   20.276 -20.08234 23.64736 
1 1 1   27    7   24 o   33.680   14.111  197.835  648.884  191.479  680.592  261.313  2150.94   34.206   14.398   52.379   23.678 -18.17327 27.71140 
1 1 1   27    9    0 o  160.604   15.479 10583.20  1993.54   0.0000   0.0000 10583.20  1993.54  ?   ?   160.604   15.479 0.000000 15.47898 
1 1 1   27    9    1 o  428.439   18.786 74672.26  6535.21   0.0000   0.0000 74672.26  6535.21  ?   ?   428.439   18.786 0.000000 18.78589 
1 1 1   27    9    2 o  1606.52  116.898 1133885.00 151441.80   0.0000   0.0000 1133885.00 151441.80  ?   ?   1606.52  116.898 0.000000 116.8985 
1 1 1   27    9    3 o  165.163   8.4591 11108.54  1130.62 15246.14  2092.31  9402.10  1343.69  193.221   13.419  151.730   10.981 41.49031 17.33954 
1 1 1   27    9    4 o  326.804   12.784 43404.66  3392.29 56810.97  6014.81 37151.19  4107.98  373.076   19.928  301.763   16.833 71.31235 26.08573 
1 1 1   27    9    5 o  545.359   20.848 121143.70  9231.56 146995.20 16136.75 108567.00 11255.32  598.302   33.349  515.007   27.010 83.29498 42.91525 
1 1 1   27    9    6 o  498.970   19.178 101446.50  7769.98 126784.40 13608.72 89191.58  9464.27  555.506   30.285  466.601   25.073 88.90472 39.31713 
1 1 1   27    9    7 o  298.590   12.483 36269.72  3026.38 43780.73  5394.63 32820.23  3655.86  326.868   20.428  283.409   15.952 43.45917 25.91866 
1 1 1   27    9    8 o  612.742   30.393 154729.80 15121.19 149674.00 21490.78 159686.80 21279.95  595.996   44.735  616.664   42.764 -20.66803 61.88687 
1 1 1   27    9    9 o  554.280   23.343 125971.90 10505.51 127869.10 12873.14 122188.90 18177.53  556.369   28.593  538.560   41.898 17.80865 50.72461 
1 1 1   27    9   10 o  580.045   22.560 138000.91 10625.29 137989.09 13025.24 138024.50 18369.80  578.516   27.729  572.744   39.747 5.771912 48.46339 
1 1 1   27    9   11 o  146.466   7.0442  8719.07  837.737  7490.71  1195.49  9904.22  1174.28  135.205   10.985  155.759   9.3279 -20.55392 14.41078 
1 1 1   27    9   12 o  220.438   9.2900 19772.14  1662.79 18798.02  2383.27 20696.05  2321.04  214.215   13.775  224.949   12.760 -10.73332 18.77690 
1 1 1   27    9   13 o  220.617   9.3085 19811.34  1667.47 20932.01  2387.13 18743.47  2330.22  226.117   13.057  213.868   13.488 12.24925 18.77279 
1 1 1   27    9   14 o  313.641   11.189 40113.19  2849.36 39336.91  4070.56 40859.00  3989.87  309.421   16.259  315.896   15.555 -6.474854 22.50153 
1 1 1   27    9   15 f  221.844   9.4710 20062.33  1706.02 21580.19  2459.17 18654.07  2368.73  229.260   13.267  213.001   13.770 16.25891 19.12138 
1 1 1   27    9   16 o  179.878   8.5236 13198.97  1244.92 13995.88  1775.15 12427.70  1746.36  184.437   11.917  173.639   12.470 10.79718 17.24849 
1 1 1   27    9   17 o  155.148   8.4463  9864.72  1060.02 10886.59  1529.52  8920.34  1470.40  162.340   11.682  146.686   12.464 15.65417 17.08214 
1 1 1   27    9   18 o   96.301   8.8315  3830.11  682.871  5041.74  936.923  2457.13  997.358  110.235   10.598   75.184   16.765 35.05070 19.83380 
1 1 1   27    9   19 o  104.282   9.0354  4499.17  757.495  4539.44  1039.30  4453.54  1106.37  103.857   12.581  102.549   13.624 1.308983 18.54468 
1 1 1   27    9   20 o   28.329   12.123  -2.4330  496.295  1229.05  610.870 -2393.5630  851.211   53.137   13.973   22.039   11.049 31.09821 17.81327 
1 1 1   27    9   21 o   21.174   9.8946 -394.7514  421.559 -96.3544  464.365 -1793.0820  1005.23   26.033   11.427   27.632   13.508 -1.598763 17.69298 
1 1 1   27    9   22 o   64.859   12.376  1837.70  627.984  1700.93  757.531  2138.22  1122.87   61.481   15.249   67.770   19.412 -6.288845 24.68525 
1 1 1   27    9   23 f   25.099   11.067 -89.1721  440.002  542.602  487.242 -2881.5620  1024.36   36.996   13.041   23.673   11.902 13.32397 17.65597 
1 1 1   27    9   24 o   48.110   15.344  1076.70  675.920  1294.72  824.867  631.119  1179.24   52.087   16.982   45.722   19.079 6.364582 25.54198 
1 1 1   27   11    0 o  533.288   26.037 115947.20 11274.50   0.0000   0.0000 115947.20 11274.50  ?   ?   533.288   26.037 0.000000 26.03738 
1 1 1   27   11    1 o  624.013   24.861 158702.41 12596.76 168456.50 21867.46 153858.20 15410.50  639.190   42.374  612.976   31.064 26.21484 52.54069 
1 1 1   27   11    2 o  759.505   28.739 235465.91 17723.30 215164.00 35542.11 242184.91 20446.83  716.618   61.684  769.648   32.719 -53.03021 69.82391 
1 1 1   27   11    3 o  732.092   30.090 219017.30 17886.76 212247.20 31143.89 222349.59 21849.71  713.584   54.155  736.502   36.537 -22.91852 65.32799 
1 1 1   27   11    4 o  446.937   22.505 81651.20  8140.99 84597.09 11572.21 78764.73 11454.88  453.471   31.627  437.322   32.491 16.14938 45.34239 
1 1 1   27   11    5 o  304.353   16.415 37823.95  4041.45 38572.98  5795.94 37115.11  5638.28  306.453   23.471  300.600   23.282 5.853210 33.05977 
1 1 1   27   11    6 o  413.228   20.478 69715.91  6871.07 81871.49  9810.52 58012.27  9626.42  446.044   27.218  374.133   31.996 71.91132 42.00695 
1 1 1   27   11    7 o  874.002   63.814 332152.50 44972.93 332152.50 44972.93   0.0000   0.0000  874.002   63.814  ?   ?  0.000000 63.81354 
1 1 1   27   11    8 f  123.586   6.8305  6224.98  682.768  6651.84  943.170  5754.99  989.665  127.577   9.1661  118.492   10.391 9.084541 13.85628 
1 1 1   27   11    9 o  376.219   13.131 57660.26  4011.32 56380.53  5683.38 58930.56  5662.40  370.863   18.937  379.720   18.365 -8.857117 26.37967 
1 1 1   27   11   10 o  154.123   7.8070  9681.42  973.797 11607.57  1368.76  7707.24  1385.71  168.604   10.044  136.969   12.601 31.63445 16.11410 
1 1 1   27   11   11 o  147.558   6.7406  8849.65  807.606  8025.43  1129.91  9710.51  1154.75  140.070   10.001  154.215   9.2649 -14.14493 13.63272 
1 1 1   27   11   12 o  240.041   11.460 23479.93  2233.54 21636.70  4134.25 24239.67  2654.23  228.134   22.617  243.352   13.485 -15.21783 26.33200 
1 1 1   27   11   13 o  562.539   19.833 130126.90  9059.07 125129.00 12850.89 135063.80 12772.39  546.966   29.040  569.726   27.610 -22.75970 40.07027 
1 1 1   27   11   14 o  425.247   15.355 74107.36  5301.94 72412.49  7540.04 75765.01  7456.81  417.637   22.316  427.537   21.550 -9.899506 31.02222 
1 1 1   27   11   15 o  117.883   7.3701  5680.32  701.905  5035.94  956.194  6433.26  1033.61  110.508   10.794  125.110   10.265 -14.60155 14.89601 
1 1 1   27   11   16 o  151.274   7.8930  9360.44  966.135  9470.55  1376.04  9253.39  1356.81  151.583   11.260  149.830   11.234 1.752533 15.90635 
1 1 1   27   11   17 o   30.811   11.562  291.534  391.594  616.600  494.948 -252.4901  640.298   39.617   13.166   29.440   13.144 10.17670 18.60424 
1 1 1   27   11   18 o  202.546   9.3511 16841.01  1537.88 19693.24  2224.05 14227.71  2128.86  217.696   12.637  184.291   14.340 33.40457 19.11300 
1 1 1   27   11   19 o  222.010   10.337 20346.38  1863.40 21397.80  2647.68 19314.49  2622.98  225.439   14.542  213.782   15.210 11.65730 21.04300 
1 1 1   27   11   20 o  102.258   9.0937  4346.25  747.171  4056.98  949.828  4815.82  1210.16   97.854   12.221  105.918   14.448 -8.063667 18.92356 
1 1 1   27   11   21 f   74.064   10.285  2325.50  601.803  2246.91  711.851  2522.39  1126.71   72.038   12.630   74.273   18.696 -2.234077 22.56263 
1 1 1   27   11   22 o   50.849   14.234  1154.66  610.955  1383.10  728.730  614.237  1120.85   55.311   15.568   46.864   18.970 8.447086 24.54052 
1 1 1   27   11   23 o   64.933   11.882  1867.56  603.395  2665.36  675.396 -1287.1150  1343.05   78.309   10.919   35.398   16.873 42.91115 20.09778 
1 1 1   27   13    0 o  354.824   26.643 51696.11  7619.94   0.0000   0.0000 51696.11  7619.94  ?   ?   354.824   26.643 0.000000 26.64295 
1 1 1   27   13    1 o  442.587   22.439 80073.02  8037.37 85435.88 11432.77 74832.63 11301.47  455.815   31.076  426.109   32.920 29.70547 45.27052 
1 1 1   27   13    2 o  952.476   46.201 375760.00 35731.10 394455.59 50584.26 357142.41 50478.72  964.685   64.957  915.642   68.390 49.04376 94.32169 
1 1 1   27   13    3 o  184.769   12.062 13940.92  1799.70 16125.68  2625.09 12003.36  2472.12  198.333   16.449  170.696   18.113 27.63681 24.46774 
1 1 1   27   13    4 o  490.677   24.348 98482.58  9700.63 106573.50 13788.86 90554.12 13649.72  507.649   33.643  467.053   36.278 40.59628 49.47657 
1 1 1   27   13    5 o  598.941   27.288 147268.30 13270.95 170616.09 18992.60 124993.30 18551.10  640.850   36.652  546.125   42.161 94.72485 55.86540 
1 1 1   27   13    6 o  513.391   26.208 108542.70 10888.37 103401.50 15634.46 113384.70 15172.88  496.764   39.076  521.504   36.053 -24.74011 53.16777 
1 1 1   27   13    7 o  426.154   17.989 74173.79  6224.50 67211.79 11015.47 77439.55  7544.46  401.195   34.140  434.900   21.365 -33.70486 40.27366 
1 1 1   27   13    8 o  376.861   20.019 58284.62  6103.87 54362.26  8767.12 61974.45  8503.28  361.448   30.148  386.912   27.241 -25.46408 40.63164 
1 1 1   27   13    9 o  370.650   16.151 56096.00  4860.64 48585.82  8665.40 59543.78  5871.29  340.813   31.676  381.458   18.956 -40.64468 36.91488 
1 1 1   27   13   10 o  421.264   14.601 72425.48  4994.35 71317.48  7073.77 73526.80  7052.44  416.360   20.992  423.379   20.515 -7.019501 29.35146 
1 1 1   27   13   11 o  140.910   7.6986  8098.25  877.495  7086.72  1207.06  9231.98  1277.89  131.390   11.428  150.199   10.545 -18.80911 15.54994 
1 1 1   27   13   12 o   71.330   11.530  2126.58  645.019  2305.92  1450.07  2082.35  720.192   74.368   22.269   70.312   13.097 4.055267 25.83506 
1 1 1   27   13   13 o  565.962   20.222 132017.00  9292.72 136016.20 13182.54 128066.70 13101.60  570.297   28.468  552.192   29.326 18.10510 40.87133 
1 1 1   27   13   14 o  182.539   8.6395 13575.91  1280.51 14846.26  1794.50 12258.01  1827.78  190.258   11.673  172.561   13.144 17.69678 17.57864 
1 1 1   27   13   15 o   52.385   9.7708  1157.03  400.311  1447.79  504.449  662.513  657.874   58.540   11.017   42.854   15.148 15.68613 18.73075 
1 1 1   27   13   16 o  245.756   10.085 24748.90  2012.40 26640.67  2904.57 23002.48  2790.76  253.462   14.170  235.282   14.681 18.18062 20.40431 
1 1 1   27   13   17 o   55.925   9.9217  1321.25  434.036  1055.16  531.585  1853.41  751.766   49.602   13.030   65.547   14.509 -15.94566 19.50085 
1 1 1   27   13   18 f   89.951   8.3827  3345.45  605.195  3268.43  751.696  3487.35  1020.34   88.401   10.690   90.345   14.392 -1.944595 17.92751 
1 1 1   27   13   19 o  277.121   11.876 31944.26  2672.27 32544.48  3832.40 31376.28  3728.07  275.651   17.209  270.777   17.043 4.873901 24.22024 
1 1 1   27   13   20 o   83.999   9.3679  2953.18  628.048  2943.17  732.948  2980.84  1218.29   83.359   11.105   81.150   18.850 2.208176 21.87780 
1 1 1   27   13   21 o   41.944   12.397  759.158  451.613  656.008  488.896  1359.11  1179.08   39.831   13.078   56.896   20.262 -17.06511 24.11596 
1 1 1   27   13   22 o  118.720   10.028  5975.66  957.655  6120.42  1229.27  5752.15  1527.44  118.506   12.988  111.976   17.362 6.529984 21.68225 
1 1 1   27   13   23 o  106.180   10.434  4871.73  887.976  5777.75  1053.06  2642.18  1651.92  115.037   11.425   69.691   24.046 45.34550 26.62216 
1 1 1   27   15    0 o  947.656   68.779 388849.00 52562.57   0.0000   0.0000 388849.00 52562.57  ?   ?   947.656   68.779 0.000000 68.77905 
1 1 1   27   15    1 o  919.134   36.954 349369.00 27578.73 313066.69 47846.99 367430.09 33749.01  847.831   70.133  938.863   44.271 -91.03192 82.93739 
1 1 1   27   15    2 o  443.576   23.108 80716.95  8293.92 83246.02 11686.00 78149.99 11773.22  448.305   32.320  433.922   33.679 14.38287 46.67859 
1 1 1   27   15    3 o  149.061   17.575  9188.94  2086.29  9188.94  2086.29   0.0000   0.0000  149.061   17.575  ?   ?  0.000000 17.57523 
1 1 1   27   15    4 o  840.125   32.166 291716.09 21942.11 297413.69 38275.71 288927.19 26779.23  831.006   57.072  832.292   39.626 -1.285767 69.47974 
1 1 1   27   15    5 f  197.571   9.5969 15874.41  1539.55 16999.05  2926.75 15444.16  1810.24  203.245   17.918  194.464   11.516 8.781097 21.29965 
1 1 1   27   15    6 o  430.677   17.524 75755.77  6128.00 74052.26 10879.39 76547.41  7416.42  421.734   32.010  432.336   21.127 -10.60190 38.35308 
1 1 1   27   15    7 o  271.263   12.800 29976.42  2819.32 26091.17  5161.44 31628.59  3365.80  250.512   25.741  278.067   14.962 -27.55562 29.77365 
1 1 1   27   15    8 o  439.240   18.023 78906.30  6428.05 83425.66 11448.03 76825.34  7768.24  447.166   31.736  432.036   22.220 15.13004 38.74138 
1 1 1   27   15    9 o  177.410   9.4246 12842.42  1352.75 16630.44  2663.76 11526.01  1570.31  201.054   16.461  167.816   11.595 33.23816 20.13536 
1 1 1   27   15   10 f  408.774   17.131 68393.97  5686.11 70406.50 10169.99 67478.77  6858.21  409.992   30.774  404.697   20.943 5.295135 37.22430 
1 1 1   27   15   11 o  503.539   20.982 104360.80  8578.72 98770.88 15208.07 106969.50 10389.46  480.339   39.338  508.274   25.174 -27.93439 46.70362 
1 1 1   27   15   12 o  198.257   10.954 16075.09  1756.50 14045.29  3469.04 16774.91  2036.91  182.649   23.970  202.327   12.459 -19.67740 27.01476 
1 1 1   27   15   13 o  193.162   7.5435 15186.71  1183.13 12538.52  1655.92 17948.40  1691.03  174.811   11.734  209.795   9.9270 -34.98465 15.37011 
1 1 1   27   15   14 o  127.593   8.5930  6669.17  885.062  9912.75  1242.26  3325.42  1261.29  155.480   9.8915   88.049   18.242 67.43095 20.75122 
1 1 1   27   15   15 o   76.812   7.9096  2433.11  486.263  3351.14  622.684  998.255  778.472   90.169   8.6096   50.053   16.507 40.11607 18.61700 
1 1 1   27   15   16 o  140.319   8.4966  8084.19  963.494  9644.02  1345.43  6442.19  1380.41  152.778   10.918  123.949   13.959 28.82974 17.72150 
1 1 1   27   15   17 f  260.580   10.808 27990.08  2286.89 30330.24  3300.95 25830.22  3171.24  268.899   15.181  247.728   15.849 21.17067 21.94626 
1 1 1   27   15   18 o  149.510   9.0731  9226.85  1096.24  9686.44  1481.60  8670.86  1629.59  152.251   12.084  143.218   14.201 9.033585 18.64626 
1 1 1   27   15   19 o   98.586   8.8220  4036.70  698.726  4347.98  848.834  3382.50  1230.56  101.912   10.404   87.161   17.984 14.75066 20.77692 
1 1 1   27   15   20 o  129.127   9.1678  6942.75  954.973  7393.56  1206.72  6187.27  1562.13  132.419   11.332  118.509   16.697 13.91013 20.17940 
1 1 1   27   15   21 o   43.610   12.162  833.764  446.899  754.886  481.613  1322.51  1198.84   41.853   12.897   56.062   20.371 -14.20860 24.11072 
1 1 1   27   15   22 o   55.536   11.699  1370.06  510.879  1152.33  562.875  2387.91  1217.01   50.405   13.488   69.412   20.305 -19.00776 24.37642 
1 1 1   27   17    0 o  268.814   15.687 29571.65  3409.13   0.0000   0.0000 29571.65  3409.13  ?   ?   268.814   15.687 0.000000 15.68712 
1 1 1   27   17    1 o  915.802   46.279 355095.59 34301.52   0.0000   0.0000 355095.59 34301.52  ?   ?   915.802   46.279 0.000000 46.27896 
1 1 1   27   17    2 o  260.275   12.740 27588.38  2692.50 23656.74  4696.94 29512.70  3286.00  238.793   24.575  268.608   15.128 -29.81470 28.85844 
1 1 1   27   17    3 o  909.979   36.501 344970.00 26969.31 335076.41 46704.97 349919.09 33033.09  869.456   66.665  910.725   44.671 -41.26849 80.24770 
1 1 1   27   17    4 o  384.668   13.256 60287.11  4140.31 73131.75  7530.45 54722.03  4956.73  421.786   22.065  366.105   16.674 55.68018 27.65679 
1 1 1   27   17    5 o  263.579   12.705 28301.73  2719.10 25012.74  5062.89 29634.96  3223.44  245.189   25.819  269.149   14.807 -23.96005 29.76327 
1 1 1   27   17    6 o  178.505   10.227 13008.98  1476.18 10699.09  2895.56 13820.15  1715.91  159.819   22.974  183.867   11.552 -24.04823 25.71486 
1 1 1   27   17    7 o  459.140   23.782 86976.50  8835.80 88504.15 12673.37 85531.59 12325.33  459.284   34.230  451.621   33.858 7.662628 48.14575 
1 1 1   27   17    8 o  412.137   17.463 69511.81  5843.79 66050.55 10511.28 71060.24  7030.44  396.484   32.949  415.481   20.907 -18.99716 39.02220 
1 1 1   27   17    9 o  326.700   15.558 43635.20  4127.00 34817.64  7553.70 47387.29  4927.45  286.642   33.061  339.610   17.933 -52.96786 37.61150 
1 1 1   27   17   10 o  441.574   18.435 80026.38  6609.73 80101.41 11879.51 79992.74  7954.75  435.055   33.897  439.829   22.348 -4.774200 40.60059 
1 1 1   27   17   11 o  145.624   10.055  8682.07  1181.64  9256.00  2520.43  8520.38  1337.77  148.269   21.568  144.063   11.533 4.206100 24.45774 
1 1 1   27   17   12 o  278.193   13.376 31671.21  3021.35 27560.23  5735.69 33250.02  3554.49  254.664   28.212  284.258   15.458 -29.59416 32.16983 
1 1 1   27   17   13 o  122.707   10.438  6196.24  1030.11  4902.29  2598.85  6437.42  1122.01  105.541   29.292  124.970   11.175 -19.42869 31.35130 
1 1 1   27   17   14 o  187.630   11.167 14486.13  1693.59 20511.08  3976.97 13151.48  1871.80  219.245   22.667  178.311   13.018 40.93402 26.13970 
1 1 1   27   17   15 o  156.919   10.845 10163.93  1373.33 10893.48  3375.23 10019.18  1503.40  155.966   27.665  155.506   11.999 0.4603882 30.15563 
1 1 1   27   17   16 o  336.371   14.946 47218.00  4082.19 59859.97  8008.61 42780.37  4744.88  366.806   27.081  317.431   18.489 49.37463 32.79082 
1 1 1   27   17   17 o  124.390   12.347  6484.77  1230.61  5949.16  3365.89  6567.41  1322.14  110.143   34.120  124.900   13.239 -14.75666 36.59862 
1 1 1   27   17   18 o  136.463   12.567  7839.00  1376.81 10490.35  4331.25  7540.98  1452.12  141.067   37.259  133.423   13.594 7.643646 39.66171 
1 1 1   27   17   19 o   65.241   8.8270  1788.67  455.586  1934.74  511.515  1228.14  1002.02   67.706   9.5713   54.429   18.731 13.27671 21.03442 
1 1 1   27   17   20 o  159.744   9.3066 10653.15  1201.90 11077.24  1604.12 10110.33  1814.81  161.246   12.346  152.425   14.852 8.821075 19.31338 
1 1 1   27   17   21 o  131.307   9.9111  7300.18  1048.91  8148.33  1352.45  6020.00  1661.58  137.308   12.260  113.479   18.683 23.82965 22.34652 
1 1 1   27   17   22 o   30.620   11.885  291.181  422.875  470.366  446.544 -1265.8950  1316.34   34.650   12.455   34.728   16.595 -0.7877731E-01 20.74944 
1 1 1   27   19    0 o  646.012   32.599 173819.20 17044.47   0.0000   0.0000 173819.20 17044.47  ?   ?   646.012   32.599 0.000000 32.59931 
1 1 1   27   19    1 o  278.016   16.414 31674.68  3688.94   0.0000   0.0000 31674.68  3688.94  ?   ?   278.016   16.414 0.000000 16.41434 
1 1 1   27   19    2 o  338.720   15.414 46826.46  4239.34 40012.75  7435.65 50108.00  5160.18  309.490   29.964  349.553   18.244 -40.06311 35.08155 
1 1 1   27   19    3 o  127.886   10.591  6702.19  1089.85  6372.23  1974.20  6846.83  1307.07  123.098   20.471  129.017   12.639 -5.919556 24.05820 
1 1 1   27   19    4 o  260.759   12.976 27715.08  2747.48 26774.14  4781.91 28178.77  3356.87  254.119   23.440  262.206   15.842 -8.087158 28.29075 
1 1 1   27   19    5 o  407.357   21.695 68343.63  7150.03 69791.41 10289.46 66991.78  9942.79  408.574   31.253  400.412   30.819 8.162933 43.89220 
1 1 1   27   19    6 o  541.539   24.355 120926.60 10709.20 103256.40 18994.73 129160.80 12966.51  487.343   48.652  557.292   28.753 -69.94934 56.51360 
1 1 1   27   19    7 o  521.915   22.704 112207.20  9621.45 102843.70 17119.66 116530.20 11632.34  488.660   43.605  529.589   27.143 -40.92816 51.36264 
1 1 1   27   19    8 o  819.732   32.110 281483.00 21372.13 290068.41 37508.80 277355.81 26006.79  803.297   57.895  807.167   39.681 -3.869080 70.18839 
1 1 1   27   19    9 o  415.986   18.408 71059.90  6217.76 66062.43 11318.26 73220.01  7441.17  393.517   35.814  420.747   21.856 -27.22992 41.95680 
1 1 1   27   19   10 o  328.036   14.160 44024.86  3771.67 49293.46  7088.10 41943.86  4454.69  343.251   25.616  319.148   17.255 24.10382 30.88566 
1 1 1   27   19   11 o  147.213   9.9667  8879.23  1184.32  8411.02  2582.93  9003.87  1332.67  140.384   23.490  148.078   11.166 -7.693665 26.00862 
1 1 1   27   19   12 o  219.152   11.952 19726.06  2118.82 21495.24  4555.81 19237.77  2393.42  224.423   25.451  216.019   13.717 8.404480 28.91209 
1 1 1   27   19   13 o   93.112   11.854  3615.16  875.856  1249.76  2939.03  3845.70  917.547   75.082   30.598   96.042   12.030 -20.96056 32.87791 
1 1 1   27   19   14 o  226.473   12.416 21210.25  2274.37 24891.49  5095.28 20294.29  2541.62  237.856   26.853  220.876   14.248 16.98032 30.39837 
1 1 1   27   19   15 o  233.475   12.839 22641.49  2424.60 26125.64  5472.31 21790.46  2704.55  240.758   28.549  228.248   14.671 12.51024 32.09838 
1 1 1   27   19   16 o  150.613   11.808  9451.90  1432.47 12990.25  3760.14  8851.19  1549.31  167.485   28.681  145.224   13.286 22.26085 31.60915 
1 1 1   27   19   17 o  129.174   12.478  7018.89  1292.43 12479.49  4382.08  6498.64  1352.60  156.904   35.256  123.815   13.683 33.08968 37.81764 
1 1 1   27   19   18 o  142.791   13.189  8651.61  1511.88 10635.03  5005.72  8452.51  1585.95  134.550   41.598  140.712   14.070 -6.161972 43.91298 
1 1 1   27   19   19 f  123.135   14.702  6588.01  1440.84  4787.69  4584.43  6785.33  1517.75   93.898   38.235  124.648   15.318 -30.74967 41.18929 
1 1 1   27   19   20 o   44.690   18.667  408.464  1130.56   0.0000   0.0000  408.464  1130.56  ?   ?    44.690   18.667 0.000000 18.66702 
1 1 1   27   19   21 o   38.236   17.493 -434.9525  1218.82   0.0000   0.0000 -434.9525  1218.82  ?   ?    38.236   17.493 0.000000 17.49339 
1 1 1   27   21    0 o  347.973   19.517 49803.27  5492.02   0.0000   0.0000 49803.27  5492.02  ?   ?   347.973   19.517 0.000000 19.51662 
1 1 1   27   21    1 o   93.324   13.547  3626.08  996.533   0.0000   0.0000  3626.08  996.533  ?   ?    93.324   13.547 0.000000 13.54681 
1 1 1   27   21    2 o  559.315   23.604 128894.90 10719.72 121485.30 18721.10 132509.41 13075.47  532.096   43.718  564.486   28.621 -32.39014 52.25356 
1 1 1   27   21    3 o  356.040   16.352 51840.77  4727.37 51223.59  8272.72 52140.03  5760.57  349.950   29.386  355.879   20.017 -5.929016 35.55584 
1 1 1   27   21    4 o  412.906   18.472 69886.83  6193.10 69189.87 10753.06 70232.77  7575.72  405.413   32.951  412.318   22.716 -6.905518 40.02246 
1 1 1   27   21    5 o  204.340   11.062 17062.76  1828.55 15633.08  3737.62 17512.62  2096.58  193.085   24.384  206.834   12.543 -13.74940 27.42086 
1 1 1   27   21    6 o  547.692   22.873 123793.70 10171.66 112339.10 18187.42 129007.10 12270.00  508.804   44.470  557.272   27.117 -48.46808 52.08553 
1 1 1   27   21    7 o  110.685   8.4353  5014.54  752.398 10442.41  2105.59  4220.02  805.585  158.803   16.574  101.305   9.9210 57.49852 19.31626 
1 1 1   27   21    8 o  249.210   10.853 25324.23  2196.15 32634.81  4497.57 23035.41  2516.57  280.803   19.854  237.088   13.124 43.71524 23.79936 
1 1 1   27   21    9 o  302.992   13.758 37571.29  3384.73 42187.31  6588.59 35916.28  3945.11  316.926   25.828  295.278   16.521 21.64792 30.65986 
1 1 1   27   21   10 o  274.849   13.012 30937.74  2903.83 34467.57  5877.90 29798.11  3339.85  285.529   25.626  268.858   15.363 16.67056 29.87834 
1 1 1   27   21   11 o  218.928   12.396 19719.47  2194.49 17789.03  4905.11 20202.54  2453.75  201.055   31.047  221.274   13.725 -20.21835 33.94495 
1 1 1   27   21   12 o  211.480   11.767 18426.81  2012.58 19788.30  4473.43 18081.30  2253.53  213.189   26.408  209.046   13.346 4.142120 29.58872 
1 1 1   27   21   13 o   90.046   12.652  3408.76  899.541  1258.06  3064.35  3611.56  940.998   75.383   31.042   92.686   12.849 -17.30293 33.59583 
1 1 1   27   21   14 o  252.601   13.422 26553.01  2743.02 24937.92  5834.00 27011.38  3107.98  232.405   31.746  253.938   15.142 -21.53313 35.17260 
1 1 1   27   21   15 o  163.989   12.383 11222.58  1636.64 10754.25  4666.97 11288.26  1747.62  144.656   38.893  164.161   13.223 -19.50464 41.07895 
1 1 1   27   21   16 o  108.292   14.031  4996.79  1204.77  3479.00  4347.48  5123.04  1253.87   92.634   37.409  109.517   14.454 -16.88309 40.10413 
1 1 1   27   21   17 o  105.121   14.013  4742.11  1166.31  6607.20  4687.59  4619.04  1204.18  109.003   40.180  103.431   14.757 5.571892 42.80374 
1 1 1   27   21   18 o   38.524   16.618   26.442  946.671  1312.23  4759.08 -26.5306  965.975   79.373   35.607   38.368   16.668 41.00498 39.31495 
1 1 1   27   21   19 o   41.257   17.697  146.790  1062.03   0.0000   0.0000  146.790  1062.03  ?   ?    41.257   17.697 0.000000 17.69676 
1 1 1   27   21   20 o   78.041   21.157  3058.13  1374.34   0.0000   0.0000  3058.13  1374.34  ?   ?    78.041   21.157 0.000000 21.15741 
1 1 1   27   21   21 f   45.411   20.912 -281.0381  1781.24   0.0000   0.0000 -281.0381  1781.24  ?   ?    45.411   20.912 0.000000 20.91237 
1 1 1   27   23    0 o  284.074   17.621 33211.73  4044.38   0.0000   0.0000 33211.73  4044.38  ?   ?   284.074   17.621 0.000000 17.62101 
1 1 1   27   23    1 o  252.534   16.630 26230.98  3390.93   0.0000   0.0000 26230.98  3390.93  ?   ?   252.534   16.630 0.000000 16.63020 
1 1 1   27   23    2 o   87.903   17.319  3275.72  1192.17   0.0000   0.0000  3275.72  1192.17  ?   ?    87.903   17.319 0.000000 17.31896 
1 1 1   27   23    3 o  303.557   15.424 37801.01  3789.14 38097.39  6740.52 37664.09  4581.56  301.278   27.870  302.259   18.761 -0.9803162 33.59606 
1 1 1   27   23    4 o  404.267   18.362 67121.74  6027.29 68701.59 10559.62 66358.30  7340.53  402.903   32.556  400.147   22.686 2.755310 39.68094 
1 1 1   27   23    5 o  405.176   18.787 67499.71  6180.70 70214.50 10762.73 66163.88  7549.71  406.835   32.862  399.121   23.399 7.713959 40.34075 
1 1 1   27   23    6 o  308.863   17.036 39280.82  4255.90 31180.53  8164.05 42303.51  4987.15  267.171   38.766  319.940   19.288 -52.76913 43.29895 
1 1 1   27   23    7 o  350.107   16.188 50326.84  4602.00 44106.97  8724.37 52724.65  5416.90  320.142   34.087  357.204   18.742 -37.06189 38.89937 
1 1 1   27   23    8 o  180.370   11.310 13343.93  1648.08 14363.28  3814.91 13110.03  1827.40  183.241   26.402  178.541   12.688 4.700394 29.29287 
1 1 1   27   23    9 o  599.897   24.129 151338.41 11753.31 173290.70 21255.86 141670.70 14105.92  618.753   42.567  573.987   30.374 44.76581 52.29300 
1 1 1   27   23   10 o  241.996   12.834 24140.92  2512.74 24276.63  5474.75 24104.70  2828.23  235.472   29.265  241.311   14.502 -5.838470 32.66140 
1 1 1   27   23   11 o   75.915   12.359  2431.78  735.627  3993.49  2683.25  2304.86  764.935   95.225   30.594   73.664   13.277 21.56062 33.35072 
1 1 1   27   23   12 o  218.601   12.484 19796.81  2206.70 20466.44  5379.33 19661.33  2419.66  210.947   32.446  217.377   13.780 -6.429794 35.25091 
1 1 1   27   23   13 o  173.810   11.876 12543.53  1665.97 12934.65  4692.27 12487.11  1782.07  162.718   36.423  173.118   12.768 -10.40050 38.59602 
1 1 1   27   23   14 o   43.723   16.537  609.513  804.564  3120.32  2952.36  408.090  836.214   86.034   31.853   41.449   16.521 44.58485 35.88293 
1 1 1   27   23   15 o  101.711   13.645  4407.25  1098.51  4540.35  4247.24  4397.71  1137.20   98.376   37.807  101.405   14.201 -3.029625 40.38626 
1 1 1   27   23   16 f  103.898   14.040  4636.07  1154.10  5762.95  3936.13  4530.08  1207.16  104.019   37.023  102.313   14.974 1.705872 39.93612 
1 1 1   27   23   17 o  150.186   13.327  9639.45  1608.31  8787.03  5341.54  9724.43  1686.58  116.246   42.884  150.492   13.961 -34.24567 45.09923 
1 1 1   27   23   18 o   68.634   19.058  2208.59  1099.84   0.0000   0.0000  2208.59  1099.84  ?   ?    68.634   19.058 0.000000 19.05804 
1 1 1   27   23   19 o   37.551   16.586 -73.7245  992.507   0.0000   0.0000 -73.7245  992.507  ?   ?    37.551   16.586 0.000000 16.58630 
1 1 1   27   23   20 o  144.981   16.512  9874.84  1909.12   0.0000   0.0000  9874.84  1909.12  ?   ?   144.981   16.512 0.000000 16.51213 
1 1 1   27   25    0 o  234.396   16.886 22670.88  3192.22   0.0000   0.0000 22670.88  3192.22  ?   ?   234.396   16.886 0.000000 16.88585 
1 1 1   27   25    1 o  247.992   17.283 25383.18  3458.38   0.0000   0.0000 25383.18  3458.38  ?   ?   247.992   17.283 0.000000 17.28306 
1 1 1   27   25    2 o  112.260   17.364  5295.81  1531.66   0.0000   0.0000  5295.81  1531.66  ?   ?   112.260   17.364 0.000000 17.36394 
1 1 1   27   25    3 o   39.670   16.449  164.791  868.690  1056.72  1762.66 -121.3360  998.350   62.520   24.265   39.330   17.016 23.18987 29.63639 
1 1 1   27   25    4 o  344.112   17.433 48845.28  4854.92 49816.37  8637.53 48396.80  5869.91  341.556   31.500  341.207   21.294 0.3486938 38.02193 
1 1 1   27   25    5 o  416.663   19.655 71807.22  6649.46 71916.30 11678.33 71754.87  8088.67  407.184   35.682  413.917   24.172 -6.732971 43.09916 
1 1 1   27   25    6 o  379.377   10.304 58772.85  3174.18 67867.06  5628.42 54531.53  3843.74  405.619   17.090  364.812   12.976 40.80637 21.45768 
1 1 1   27   25    7 o  288.384   11.519 34052.91  2697.34 54180.99  6145.27 29249.66  3001.98  359.597   21.140  266.401   13.927 93.19604 25.31481 
1 1 1   27   25    8 o  221.829   11.838 20248.81  2124.48 21867.62  5279.01 19935.97  2320.70  222.964   29.914  219.783   13.063 3.180099 32.64176 
1 1 1   27   25    9 o  155.773   10.298  9988.81  1295.12 17143.52  4129.56  9208.30  1363.94  197.917   26.352  149.315   11.335 48.60178 28.68614 
1 1 1   27   25   10 o  207.317   11.914 17768.14  1997.14 20139.67  5227.94 17362.92  2161.04  210.270   31.598  204.557   13.079 5.712219 34.19791 
1 1 1   27   25   11 o  146.902   10.912  8934.53  1292.31 11228.43  3961.90  8661.41  1367.09  154.453   32.615  144.400   11.762 10.05330 34.67065 
1 1 1   27   25   12 o  262.475   12.929 28620.99  2755.51 42128.03  6794.92 25962.56  3014.51  305.355   27.707  248.603   15.004 56.75125 31.50913 
1 1 1   27   25   13 o  137.361   11.897  7887.88  1313.84  1139.30  4857.89  8420.47  1364.70   84.763   37.090  141.934   11.953 -57.17088 38.96876 
1 1 1   27   25   14 o  171.876   12.457 12397.74  1726.64  6916.00  5727.31 12945.76  1810.89  112.637   43.733  175.495   12.797 -62.85780 45.56629 
1 1 1   27   25   15 o   43.659   16.626  620.226  816.722  2516.16  4800.99  563.724  828.803   86.732   37.419   43.036   16.657 43.69574 40.95865 
1 1 1   27   25   16 o   56.476   19.134  1372.72  1045.00 -417.4626  4408.78  1479.28  1075.65   71.128   32.808   58.179   19.413 12.94912 38.12133 
1 1 1   27   25   17 o   67.369   18.137  2111.84  1014.15   0.0000   0.0000  2111.84  1014.15  ?   ?    67.369   18.137 0.000000 18.13726 
1 1 1   27   25   18 o   40.743   17.781   71.858  1109.82   0.0000   0.0000   71.858  1109.82  ?   ?    40.743   17.781 0.000000 17.78081 
1 1 1   27   25   19 o   61.590   20.639  1931.76  1215.78   0.0000   0.0000  1931.76  1215.78  ?   ?    61.590   20.639 0.000000 20.63907 
1 1 1   27   27    0 o   71.374   26.546  1709.45  2055.02   0.0000   0.0000  1709.45  2055.02  ?   ?    71.374   26.546 0.000000 26.54563 
1 1 1   27   27    1 o  236.815   18.104 23319.23  3454.73   0.0000   0.0000 23319.23  3454.73  ?   ?   236.815   18.104 0.000000 18.10380 
1 1 1   27   27    2 o  137.867   17.955  7987.50  1962.28   0.0000   0.0000  7987.50  1962.28  ?   ?   137.867   17.955 0.000000 17.95529 
1 1 1   27   27    3 o   97.697   23.623  4164.59  1853.30   0.0000   0.0000  4164.59  1853.30  ?   ?    97.697   23.623 0.000000 23.62267 
1 1 1   27   27    4 o  271.651   19.406 30881.80  4252.32 33478.28  6655.85 29091.05  5527.50  277.333   30.037  260.284   26.525 17.04916 40.07254 
1 1 1   27   27    5 o   31.152   14.912 -1464.2791  1072.47 -30.3802  2817.26 -1707.2910  1159.79   66.116   28.594   31.755   15.280 34.36100 32.42052 
1 1 1   27   27    6 o  145.579   17.204  8936.67  1994.24 14108.23  4141.19  7375.28  2275.46  177.870   29.723  130.406   22.291 47.46411 37.15255 
1 1 1   27   27    7 o   91.375   8.7227  3445.30  639.306 10592.79  3624.11  3215.75  649.491  152.699   30.299   88.167   9.2084 64.53242 31.66766 
1 1 1   27   27    8 o  438.991   17.400 80833.80  6202.08 104724.30 12450.43 72948.90  7152.71  480.788   32.077  413.186   21.393 67.60178 38.55645 
1 1 1   27   27    9 o  280.661   13.201 32659.86  3008.25 45996.95  7275.71 29909.70  3303.88  320.465   28.250  267.240   15.289 53.22427 32.12236 
1 1 1   27   27   10 o  157.554   10.903 10287.95  1386.18 15355.09  4497.20  9756.00  1457.13  180.712   31.811  153.135   11.810 27.57738 33.93234 
1 1 1   27   27   11 o  188.649   11.477 14792.24  1749.64 25400.24  5668.40 13675.13  1839.46  232.620   30.766  180.927   12.600 51.69295 33.24572 
1 1 1   27   27   12 o  243.765   12.797 24875.21  2524.13 32088.78  6609.22 23643.40  2731.16  257.751   32.288  236.768   14.273 20.98334 35.30250 
1 1 1   27   27   13 o  216.478   12.947 19727.63  2265.38 21174.08  6553.77 19531.36  2414.19  193.909   42.773  214.806   13.916 -20.89685 44.98029 
1 1 1   27   27   14 o  258.552   14.345 28520.99  2999.61 31068.39  8565.44 28164.92  3202.40  220.307   49.134  255.913   15.484 -35.60526 51.51604 
1 1 1   27   27   15 o   34.073   15.081 -171.3409  824.720  7183.87  4687.57 -406.2869  837.789  106.779   40.017   32.242   14.655 74.53728 42.61632 
1 1 1   27   27   16 o   95.837   16.671  4167.62  1250.15   0.0000   0.0000  4167.62  1250.15  ?   ?    95.837   16.671 0.000000 16.67075 
1 1 1   27   27   17 o   43.812   18.083  496.540  1042.95   0.0000   0.0000  496.540  1042.95  ?   ?    43.812   18.083 0.000000 18.08297 
1 1 1   27   27   18 o   57.723   23.657  1491.59  1769.26   0.0000   0.0000  1491.59  1769.26  ?   ?    57.723   23.657 0.000000 23.65667 
1 1 1   27   29    0 o  146.152   19.249  9103.29  2228.75   0.0000   0.0000  9103.29  2228.75  ?   ?   146.152   19.249 0.000000 19.24929 
1 1 1   27   29    1 o  104.673   21.079  4780.02  1729.59   0.0000   0.0000  4780.02  1729.59  ?   ?   104.673   21.079 0.000000 21.07934 
1 1 1   27   29    2 f  101.550   22.550  4546.01  1810.95   0.0000   0.0000  4546.01  1810.95  ?   ?   101.550   22.550 0.000000 22.55008 
1 1 1   27   29    3 o  108.678   21.641  5175.41  1842.58   0.0000   0.0000  5175.41  1842.58  ?   ?   108.678   21.641 0.000000 21.64122 
1 1 1   27   29    4 o   82.170   21.648  2980.40  1464.48  5246.77  4006.95  2630.99  1573.33  107.722   37.434   77.609   23.187 30.11301 44.03334 
1 1 1   27   29    5 o  231.957   17.580 22723.54  3286.49 29625.25  6596.39 20444.66  3790.43  253.793   32.776  217.746   21.729 36.04622 39.32455 
1 1 1   27   29    6 o  203.652   17.802 17602.29  2914.20 17505.77  6016.18 17631.88  3331.08  187.284   40.723  202.388   20.556 -15.10336 45.61681 
1 1 1   27   29    7 o  164.815   10.009 11212.66  1333.12 17269.94  4631.37 10665.44  1392.04  193.244   30.531  160.526   10.742 32.71812 32.36526 
1 1 1   27   29    8 o  134.872   10.663  7549.75  1158.18 10221.28  5250.33  7413.11  1187.43  138.613   42.561  133.531   11.051 5.082718 43.97202 
1 1 1   27   29    9 o   77.986   10.967  2562.07  675.255  8181.99  5052.08  2459.85  681.369  123.677   42.069   76.290   11.345 47.38642 43.57221 
1 1 1   27   29   10 o  224.015   13.371 21076.11  2420.99 23347.28  6855.39 20752.50  2587.73  208.556   41.937  221.662   14.457 -13.10591 44.35844 
1 1 1   27   29   11 o  201.855   13.054 17157.85  2128.13 21623.90  7213.28 16732.05  2227.27  190.638   46.918  198.861   13.881 -8.223145 48.92788 
1 1 1   27   29   12 o  141.944   12.956  8547.72  1476.73  9400.15  6671.39  8503.80  1514.30  119.644   46.987  141.392   13.348 -21.74833 48.84631 
1 1 1   27   29   13 o   77.829   15.583  2691.10  950.411  1562.39  6465.40  2716.03  960.849   86.572   39.858   78.156   15.686 8.416100 42.83386 
1 1 1   27   29   14 o  ?   ?  -3171.0349  758.166   0.0000   0.0000 -3171.0349  758.166  ?   ?   ?   ?  0.000000      ? 
1 1 1   27   29   15 o   91.808   18.662  3962.05  1343.72   0.0000   0.0000  3962.05  1343.72  ?   ?    91.808   18.662 0.000000 18.66160 
1 1 1   27   29   16 o  145.068   15.561  9571.42  1804.32   0.0000   0.0000  9571.42  1804.32  ?   ?   145.068   15.561 0.000000 15.56114 
1 1 1   27   29   17 o   60.850   23.634  1923.84  1673.12   0.0000   0.0000  1923.84  1673.12  ?   ?    60.850   23.634 0.000000 23.63388 
1 1 1   27   31    0 o  176.393   20.194 13456.44  2840.12   0.0000   0.0000 13456.44  2840.12  ?   ?   176.393   20.194 0.000000 20.19362 
1 1 1   27   31    1 o  142.327   21.940  8910.09  2454.06   0.0000   0.0000  8910.09  2454.06  ?   ?   142.327   21.940 0.000000 21.94037 
1 1 1   27   31    2 o  136.485   22.886  8266.50  2446.46   0.0000   0.0000  8266.50  2446.46  ?   ?   136.485   22.886 0.000000 22.88597 
1 1 1   27   31    3 o  201.042   21.584 17624.71  3468.20   0.0000   0.0000 17624.71  3468.20  ?   ?   201.042   21.584 0.000000 21.58387 
1 1 1   27   31    4 o  296.044   22.599 38366.32  5391.21   0.0000   0.0000 38366.32  5391.21  ?   ?   296.044   22.599 0.000000 22.59880 
1 1 1   27   31    5 o  211.689   19.985 19428.19  3394.52 27067.70  7214.79 17256.27  3846.91  230.641   39.974  196.216   24.693 34.42485 46.98566 
1 1 1   27   31    6 o  102.672   24.393  4849.63  2003.49  4843.71  4547.72  4851.06  2231.74  102.093   39.149  101.776   26.680 0.3164139 47.37569 
1 1 1   27   31    7 o  140.867   11.218  8278.58  1272.42  7340.82  6061.21  8321.81  1301.42  116.440   45.051  141.157   11.454 -24.71696 46.48372 
1 1 1   27   31    8 o   83.718   10.311  2942.50  686.071 -623.1938  5510.43  2998.65  691.451   80.656   37.009   84.530   10.286 -3.873932 38.41211 
1 1 1   27   31    9 o   42.622   12.990  768.980  490.199  1230.55  6042.64  765.922  491.820   87.999   39.741   42.563   13.019 45.43653 41.81943 
1 1 1   27   31   10 o  106.700   11.541  4811.70  983.955  4820.38  7080.91  4811.53  993.595  100.769   44.416  106.655   11.663 -5.885956 45.92220 
1 1 1   27   31   11 o  180.823   12.380 13852.18  1806.75 24734.30  7343.00 13150.91  1864.05  195.958   46.795  175.692   13.162 20.26631 48.61082 
1 1 1   27   31   12 o   75.782   15.162  2562.65  900.372   0.0000   0.0000  2562.65  900.372  ?   ?    75.782   15.162 0.000000 15.16180 
1 1 1   27   31   13 o  172.161   14.473 12981.44  2004.35   0.0000   0.0000 12981.44  2004.35  ?   ?   172.161   14.473 0.000000 14.47262 
1 1 1   27   31   14 o  138.936   14.425  8588.16  1603.55   0.0000   0.0000  8588.16  1603.55  ?   ?   138.936   14.425 0.000000 14.42467 
1 1 1   27   31   15 o   99.709   18.066  4791.00  1408.76   0.0000   0.0000  4791.00  1408.76  ?   ?    99.709   18.066 0.000000 18.06583 
1 1 1   27   33    0 o   92.905   27.488  4090.91  2219.16   0.0000   0.0000  4090.91  2219.16  ?   ?    92.905   27.488 0.000000 27.48780 
1 1 1   27   33    1 o   43.071   20.101 -1361.8361  1730.90   0.0000   0.0000 -1361.8361  1730.90  ?   ?    43.071   20.101 0.000000 20.10101 
1 1 1   27   33    2 o   88.114   29.822  3628.04  2538.58   0.0000   0.0000  3628.04  2538.58  ?   ?    88.114   29.822 0.000000 29.82201 
1 1 1   27   33    3 o  104.124   31.542  5371.64  2896.80   0.0000   0.0000  5371.64  2896.80  ?   ?   104.124   31.542 0.000000 31.54246 
1 1 1   27   33    4 o  180.593   25.666 15076.27  3657.65   0.0000   0.0000 15076.27  3657.65  ?   ?   180.593   25.666 0.000000 25.66597 
1 1 1   27   33    5 o   68.406   26.392  1743.05  2075.71   0.0000   0.0000  1743.05  2075.71  ?   ?    68.406   26.392 0.000000 26.39228 
1 1 1   27   33    6 o  111.567   29.349  6181.46  2694.37 -1468.7950  6997.24  7513.26  2919.49   84.144   39.633  123.128   29.573 -38.98380 49.45010 
1 1 1   27   33    7 o   63.610   10.046  1718.23  501.624  7987.92  6528.50  1681.00  503.112  112.850   45.748   62.860   10.207 49.98947 46.87243 
1 1 1   27   33    8 o  116.536   10.848  5717.83  1014.66  3914.06  7572.40  5750.80  1023.89   96.833   44.031  116.847   10.918 -20.01409 45.36488 
1 1 1   27   33    9 o  168.395   11.821 12002.17  1606.07 18745.77  8517.02 11753.53  1635.41  145.710   54.071  166.421   12.187 -20.71127 55.42795 
1 1 1   27   33   10 o   47.147   13.745  977.360  558.532   0.0000   0.0000  977.360  558.532  ?   ?    47.147   13.745 0.000000 13.74520 
1 1 1   27   33   11 o   43.087   14.310  785.760  584.721   0.0000   0.0000  785.760  584.721  ?   ?    43.087   14.310 0.000000 14.31036 
1 1 1   27   33   12 o   48.393   16.892  1010.29  816.359   0.0000   0.0000  1010.29  816.359  ?   ?    48.393   16.892 0.000000 16.89215 
1 1 1   27   33   13 o   73.748   18.412  2660.98  1099.13   0.0000   0.0000  2660.98  1099.13  ?   ?    73.748   18.412 0.000000 18.41201 
1 1 1   27   33   14 o   45.183   18.857  626.337  1152.28   0.0000   0.0000  626.337  1152.28  ?   ?    45.183   18.857 0.000000 18.85686 
1 1 1   27   35    0 o  141.782   27.331  9792.90  3032.30   0.0000   0.0000  9792.90  3032.30  ?   ?   141.782   27.331 0.000000 27.33059 
1 1 1   27   35    1 o   79.125   28.930  2893.11  2423.12   0.0000   0.0000  2893.11  2423.12  ?   ?    79.125   28.930 0.000000 28.92992 
1 1 1   27   35    2 o  206.742   26.644 20484.79  4368.52   0.0000   0.0000 20484.79  4368.52  ?   ?   206.742   26.644 0.000000 26.64365 
1 1 1   27   35    3 o  115.438   32.383  7079.72  3158.64   0.0000   0.0000  7079.72  3158.64  ?   ?   115.438   32.383 0.000000 32.38350 
1 1 1   27   35    4 o  196.146   29.671 19289.26  4577.89   0.0000   0.0000 19289.26  4577.89  ?   ?   196.146   29.671 0.000000 29.67107 
1 1 1   27   35    5 o   70.325   28.596  1838.34  2559.97   0.0000   0.0000  1838.34  2559.97  ?   ?    70.325   28.596 0.000000 28.59642 
1 1 1   27   35    6 o   72.299   28.630  2217.21  2496.11 11493.87  8844.09  1414.31  2601.89  113.750   49.903   67.197   28.210 46.55332 57.32466 
1 1 1   27   35    7 o   68.070   9.4576  1967.01  508.608 -12281.1602  8842.99  2014.30  509.451   69.421   34.914   68.932   9.3428 0.4887543 36.14217 
1 1 1   27   35    8 o  117.547   11.075  5889.98  1044.59   0.0000   0.0000  5889.98  1044.59  ?   ?   117.547   11.075 0.000000 11.07514 
1 1 1   27   35    9 o   72.328   10.971  2264.50  624.097   0.0000   0.0000  2264.50  624.097  ?   ?    72.328   10.971 0.000000 10.97118 
1 1 1   27   35   10 o   67.162   13.592  2036.35  715.763   0.0000   0.0000  2036.35  715.763  ?   ?    67.162   13.592 0.000000 13.59186 
1 1 1   27   35   11 o   75.002   14.278  2579.62  837.773   0.0000   0.0000  2579.62  837.773  ?   ?    75.002   14.278 0.000000 14.27828 
1 1 1   27   35   12 o   92.285   17.014  4119.54  1227.90   0.0000   0.0000  4119.54  1227.90  ?   ?    92.285   17.014 0.000000 17.01357 
1 1 1   27   37    0 f  151.319   35.818 13519.59  4332.54   0.0000   0.0000 13519.59  4332.54  ?   ?   151.319   35.818 0.000000 35.81836 
1 1 1   27   37    1 o  102.047   34.511  6284.62  3399.52   0.0000   0.0000  6284.62  3399.52  ?   ?   102.047   34.511 0.000000 34.51056 
1 1 1   27   37    2 o   56.266   26.271 -1083.3610  2962.17   0.0000   0.0000 -1083.3610  2962.17  ?   ?    56.266   26.271 0.000000 26.27138 
1 1 1   27   37    3 o   81.172   33.385  3470.40  3539.20   0.0000   0.0000  3470.40  3539.20  ?   ?    81.172   33.385 0.000000 33.38496 
1 1 1   27   37    4 o   61.212   28.166 -183.8925  3222.17   0.0000   0.0000 -183.8925  3222.17  ?   ?    61.212   28.166 0.000000 28.16600 
1 1 1   27   37    5 o   62.258   27.833  682.057  2881.45   0.0000   0.0000  682.057  2881.45  ?   ?    62.258   27.833 0.000000 27.83290 
1 1 1   27   37    6 o   75.054   31.512  2967.08  3247.04   0.0000   0.0000  2967.08  3247.04  ?   ?    75.054   31.512 0.000000 31.51206 
1 1 1   27   37    7 o   68.262   30.832  1678.38  3638.54   0.0000   0.0000  1678.38  3638.54  ?   ?    68.262   30.832 0.000000 30.83201 
1 1 1   27   37    8 o   82.429   10.959  2965.99  715.313   0.0000   0.0000  2965.99  715.313  ?   ?    82.429   10.959 0.000000 10.95915 
1 1 1   27   37    9 o  145.442   12.126  9349.19  1418.91   0.0000   0.0000  9349.19  1418.91  ?   ?   145.442   12.126 0.000000 12.12559 
1 1 1   27   37   10 o   99.947   12.562  4513.71  996.906   0.0000   0.0000  4513.71  996.906  ?   ?    99.947   12.562 0.000000 12.56162 
1 1 1   27   39    0 o  134.771   42.385 15421.32  5171.88   0.0000   0.0000 15421.32  5171.88  ?   ?   134.771   42.385 0.000000 42.38466 
1 1 1   27   39    1 o   83.162   33.886  4980.29  3603.77   0.0000   0.0000  4980.29  3603.77  ?   ?    83.162   33.886 0.000000 33.88556 
1 1 1   27   39    2 o   80.648   34.325  4764.85  3939.99   0.0000   0.0000  4764.85  3939.99  ?   ?    80.648   34.325 0.000000 34.32544 
1 1 1   27   39    3 o   46.420   23.092 -4904.4590  3412.96   0.0000   0.0000 -4904.4590  3412.96  ?   ?    46.420   23.092 0.000000 23.09176 
1 1 1   27   39    4 o   50.577   24.682 -2520.8469  3315.23   0.0000   0.0000 -2520.8469  3315.23  ?   ?    50.577   24.682 0.000000 24.68234 
1 1 1   27   39    5 o   63.485   29.857  1236.49  3944.05   0.0000   0.0000  1236.49  3944.05  ?   ?    63.485   29.857 0.000000 29.85677 
1 1 1   27   39    6 o   73.390   32.762  4357.35  3976.87   0.0000   0.0000  4357.35  3976.87  ?   ?    73.390   32.762 0.000000 32.76191 
1 1 1   28    0    1 o  219.744   12.675 19809.80  2244.30 20851.65  3215.60 18820.28  3133.81  224.387   17.912  212.817   18.455 0.000000 0.000000 
1 1 1   28    0    3 o  469.110   23.367 90158.68  8850.31 89614.54 12576.51 90692.52 12456.81  465.390   33.687  468.366   33.136 0.000000 0.000000 
1 1 1   28    0    4 o  277.700   14.340 31577.13  3213.86 37117.52  4610.25 26339.31  4482.59  300.404   19.077  251.596   22.348 0.000000 0.000000 
1 1 1   28    0    5 o  331.178   17.170 44924.89  4588.82 43238.88  6561.55 46538.91  6419.92  323.093   25.371  335.784   23.822 0.000000 0.000000 
1 1 1   28    0    6 o  1701.44  122.177 1250068.00 166788.70 1250068.00 166788.70   0.0000   0.0000  1701.44  122.177  1701.44  122.177 0.000000 0.000000 
1 1 1   28    0    7 o  355.788   17.341 51820.54  4982.53 63902.29  7117.88 40212.46  6976.96  394.438   22.390  310.441   28.215 0.000000 0.000000 
1 1 1   28    0    8 f   25.641   12.789  392.772  323.870   0.0000   0.0000  392.772  323.870   25.641   12.789   25.641   12.789 0.000000 0.000000 
1 1 1   28    0    9 o  191.373   11.186 15035.90  1724.55 16940.40  2516.84 13350.38  2367.73  202.303   15.533  178.857   16.635 0.000000 0.000000 
1 1 1   28    0   10 o  788.288   37.481 257582.70 23866.90 297640.81 33820.21 217842.09 33685.96  841.363   49.908  713.102   59.113 0.000000 0.000000 
1 1 1   28    0   11 o  247.648   13.831 25185.46  2761.32 23963.71  3976.20 26323.56  3837.68  239.713   20.788  251.998   19.004 0.000000 0.000000 
1 1 1   28    0   12 o   71.668   11.593  2245.36  621.673  2301.36  960.834  2205.03  815.332   67.763   20.077   68.057   17.057 0.000000 0.000000 
1 1 1   28    0   13 o  387.093   19.804 61675.66  6187.29 62999.00  8835.73 60402.39  8667.01  388.506   28.357  380.260   28.436 0.000000 0.000000 
1 1 1   28    0   14 o  451.068   22.998 84034.38  8373.02 82733.26 11944.41 85291.50 11740.69  443.231   33.635  450.684   32.471 0.000000 0.000000 
1 1 1   28    0   15 o  364.982   19.487 54991.25  5737.56 50843.49  8219.65 58932.66  8012.58  346.909   29.681  375.360   26.596 0.000000 0.000000 
1 1 1   28    0   16 o  276.638   23.388 32221.25  5166.96 32221.25  5166.96   0.0000   0.0000  276.638   23.388  276.638   23.388 0.000000 0.000000 
1 1 1   28    0   17 o   66.841   27.141  2583.87  1443.95  2583.87  1443.95   0.0000   0.0000   66.841   27.141   66.841   27.141 0.000000 0.000000 
1 1 1   28    0   18 o   55.763   22.161  1778.42  968.740   0.0000   0.0000  1778.42  968.740   55.763   22.161   55.763   22.161 0.000000 0.000000 
1 1 1   28    0   19 o  151.376   17.528  9880.32  2079.19   0.0000   0.0000  9880.32  2079.19  151.376   17.528  151.376   17.528 0.000000 0.000000 
1 1 1   28    0   20 o   50.460   20.780  1491.47  843.015 -922.6403  1668.82  2318.57  976.810   30.828   21.091   66.820   20.581 0.000000 0.000000 
1 1 1   28    0   21 o  138.331   14.271  8202.30  1563.83  7883.60  2676.27  8367.53  1927.05  124.612   30.540  137.638   18.114 0.000000 0.000000 
1 1 1   28    0   22 o   41.404   20.684  1094.87  847.780  2915.46  1731.03  520.385  972.382   66.757   29.934   33.025   19.910 0.000000 0.000000 
1 1 1   28    0   23 o   41.440   22.387  1134.30  1050.10  1660.66  2367.76  1005.42  1171.63   50.494   30.748   39.917   22.855 0.000000 0.000000 
1 1 1   28    0   24 f   45.802   24.413  1506.43  1232.99   0.0000   0.0000  1506.43  1232.99   45.802   24.413   45.802   24.413 0.000000 0.000000 
1 1 1   28    2    0 o  216.384   12.435 19092.27  2175.63 16904.23  3068.23 21304.95  3085.46  202.937   18.835  228.244   16.766 -25.30684 25.21636 
1 1 1   28    2    1 f  203.766   8.4900 16864.71  1404.68 17602.01  1975.17 16110.21  1998.07  207.795   11.755  198.712   12.446 9.083328 17.11984 
1 1 1   28    2    3 o  340.970   12.674 47243.87  3508.75 49834.54  4949.22 44626.01  4975.13  350.050   17.413  330.691   18.604 19.35956 25.48183 
1 1 1   28    2    4 o  1516.67  109.023 998316.69 133363.70 998316.69 133363.70   0.0000   0.0000  1516.67  109.023  ?   ?  0.000000 109.0226 
1 1 1   28    2    5 f  797.324   27.243 259136.59 17637.08 256005.80 24946.27 262265.50 24938.94  790.851   38.848  800.541   38.367 -9.690552 54.60046 
1 1 1   28    2    6 o  674.099   23.143 185074.20 12666.97 185803.30 17922.16 184346.50 17905.44  674.348   32.732  671.686   32.831 2.661987 46.35966 
1 1 1   28    2    7 o  352.865   14.435 50630.27  4135.73 49104.75  7128.29 51404.36  5077.74  345.997   25.554  355.416   17.595 -9.419067 31.02575 
1 1 1   28    2    8 o  668.589   25.722 182778.80 13963.72 187907.91 17120.08 172585.41 24134.96  676.781   31.154  642.940   46.546 33.84143 56.01038 
1 1 1   28    2    9 o  329.116   11.798 44065.33  3152.67 44595.14  4471.43 43541.59  4445.77  330.329   16.725  326.380   16.833 3.949341 23.72970 
1 1 1   28    2   10 o  1030.56   34.267 440029.00 28674.03 443231.59 40565.82 436831.19 40536.59  1023.78   48.800  1016.08   49.134 7.697693 69.24982 
1 1 1   28    2   11 o  718.603   27.623 212769.91 16117.52 203753.91 19736.60 230819.70 27925.54  700.242   34.712  737.049   46.906 -36.80719 58.35373 
1 1 1   28    2   12 o  105.073   8.1619  4515.80  690.872  3360.56  1306.59  4964.13  813.966   88.995   18.677  110.093   9.1896 -21.09785 20.81530 
1 1 1   28    2   13 o  431.839   15.602 76182.84  5470.65 73448.63  7751.63 78896.04  7721.79  421.970   22.708  438.191   21.703 -16.22113 31.41103 
1 1 1   28    2   14 o  195.907   10.199 15671.92  1616.69 15187.05  2909.43 15888.52  1944.54  191.478   18.963  197.015   12.216 -5.537094 22.55685 
1 1 1   28    2   15 o  142.846   11.175  8371.46  1285.85  8605.24  1930.91  8185.17  1723.62  143.906   16.844  140.583   15.349 3.322891 22.78844 
1 1 1   28    2   16 o   34.930   13.086  372.051  501.218  460.002  639.708  232.214  806.623   39.168   14.763   39.187   16.007 -0.1908112E-01 21.77492 
1 1 1   28    2   17 o  155.565   9.7279  9929.25  1222.60  8526.41  1533.19 12379.13  2026.11  143.421   13.318  172.725   14.583 -29.30293 19.74915 
1 1 1   28    2   18 o   48.825   15.117  988.269  660.773  1247.64  759.616  181.632  1339.58   54.312   16.085   47.887   20.180 6.424671 25.80627 
1 1 1   28    2   19 o  132.852   10.431  7304.33  1116.14  7380.65  1301.91  7092.69  2168.08  133.094   12.182  127.013   21.808 6.080467 24.98018 
1 1 1   28    2   20 o  143.225   10.036  8496.63  1159.77  8998.61  1802.70  8142.14  1514.91  145.483   15.499  139.047   13.592 6.435440 20.61472 
1 1 1   28    2   21 o   57.107   13.733  1424.73  628.955  850.629  840.735  2154.39  947.814   47.552   17.091   69.621   16.930 -22.06901 24.05651 
1 1 1   28    2   22 o   86.519   10.662  3168.13  733.146  3452.64  1008.52  2849.28  1067.65   88.954   14.460   79.628   17.029 9.326347 22.33957 
1 1 1   28    2   23 o   97.904   11.580  4115.65  902.758  4178.65  1257.51  4048.65  1296.78   95.981   16.745   93.913   17.654 2.067284 24.33216 
1 1 1   28    2   24 o   62.488   15.513  1825.78  783.422  2169.63  1178.11  1553.19  1048.95   65.964   20.145   57.094   19.171 8.869976 27.80901 
1 1 1   28    4    0 o   88.399   12.498  3238.73  872.047   0.0000   0.0000  3238.73  872.047  ?   ?    88.399   12.498 0.000000 12.49782 
1 1 1   28    4    1 o  721.965   34.967 213255.20 20498.34 213208.70 29020.38 213301.50 28957.78  717.312   50.141  717.504   50.018 -0.1920776 70.82361 
1 1 1   28    4    2 o  1164.35   56.392 560899.88 53313.65 542375.12 75429.80 579392.31 75364.02  1130.17   82.774  1170.06   79.803 -39.88904 114.9781 
1 1 1   28    4    4 o  1200.55   47.257 592240.62 46066.62 550013.62 79873.13 613288.12 56390.43  1137.83   87.116  1218.38   57.001 -80.54919 104.1069 
1 1 1   28    4    5 o  593.376   19.926 143262.80  9600.50 150321.70 13588.52 136227.50 13565.81  607.203   27.561  577.184   29.039 30.01910 40.03615 
1 1 1   28    4    6 o  634.162   25.026 163925.09 12886.59 173833.09 22283.14 158946.30 15795.95  649.271   42.503  623.770   31.188 25.50079 52.71758 
1 1 1   28    4    7 o  759.693   25.579 235596.91 15778.48 254001.20 22336.81 217267.20 22291.54  786.940   34.958  726.207   37.936 60.73303 51.58655 
1 1 1   28    4    8 o  465.891   15.873 88383.11  6004.39 92182.11  8517.83 84630.75  8465.38  475.140   22.079  454.580   23.010 20.56006 31.88912 
1 1 1   28    4    9 o  161.848   7.2183 10643.30  948.588 10953.55  1365.42 10353.86  1318.80  163.797   10.319  159.238   10.254 4.559784 14.54786 
1 1 1   28    4   10 o  335.458   12.066 45805.20  3286.58 47228.75  4674.70 44413.81  4621.61  340.203   16.923  329.418   17.340 10.78479 24.22910 
1 1 1   28    4   11 o  571.748   22.728 134088.09 10551.24 138556.41 18412.02 131903.20 12875.03  573.934   39.754  565.561   28.037 8.373596 48.64642 
1 1 1   28    4   12 o  213.751   10.101 18592.32  1753.06 20854.91  3181.37 17605.73  2100.78  225.190   17.537  207.498   12.528 17.69199 21.55231 
1 1 1   28    4   13 o  336.246   17.430 46389.66  4742.37 49388.43  6858.69 43642.69  6564.44  345.200   24.632  324.256   25.129 20.94370 35.18781 
1 1 1   28    4   14 o  393.342   16.320 63326.58  5212.29 65237.26  6417.44 59622.89  8934.80  398.461   19.835  377.196   29.405 21.26456 35.46970 
1 1 1   28    4   15 o  127.539   8.6484  6652.53  890.320  7417.20  1108.91  5265.54  1493.46  134.518   10.229  112.070   16.941 22.44833 19.78966 
1 1 1   28    4   16 o  368.431   13.719 55638.72  4104.02 55483.81  5826.67 55791.22  5781.52  365.576   19.702  366.677   19.489 -1.101105 27.71244 
1 1 1   28    4   17 o  101.904   8.2400  4264.62  675.962  5218.00  973.036  3375.37  939.742  112.376   10.797   89.653   13.314 22.72292 17.14139 
1 1 1   28    4   18 o  130.278   8.4191  6967.87  885.821  6071.83  1298.46  7747.95  1211.54  120.483   13.505  136.891   10.993 -16.40883 17.41347 
1 1 1   28    4   19 o  146.898   9.2903  8890.66  1102.41 11539.28  1585.40  6411.12  1533.95  166.735   11.786  122.846   15.740 43.88869 19.66420 
1 1 1   28    4   20 o   82.121   12.609  2866.15  813.914  2884.66  924.722  2802.49  1714.75   81.859   14.440   78.894   24.339 2.964920 28.30070 
1 1 1   28    4   21 o   54.437   16.014  1291.19  755.109  1786.69  840.586 -780.2000  1718.68   63.503   16.239   45.820   20.890 17.68282 26.45896 
1 1 1   28    4   22 o   46.442   14.673  921.498  619.207  1204.00  762.976  376.418  1059.82   52.477   16.243   44.034   18.206 8.443134 24.39866 
1 1 1   28    4   23 o   53.019   15.056  1268.21  678.480  2117.43  922.838  269.146  1000.95   67.699   16.854   41.379   17.441 26.31927 24.25369 
1 1 1   28    4   24 o   29.667   13.182 -124.9050  636.012  355.130  845.066 -752.0502  965.912   39.132   16.225   31.597   14.833 7.535244 21.98292 
1 1 1   28    6    0 o  640.217   44.801 169262.70 23142.31   0.0000   0.0000 169262.70 23142.31  ?   ?   640.217   44.801 0.000000 44.80095 
1 1 1   28    6    1 o  230.956   13.121 21747.39  2450.37 24790.39  3496.93 18811.90  3434.60  246.257   17.605  214.080   19.990 32.17697 26.63721 
1 1 1   28    6    2 o  354.008   13.315 50929.52  3827.18 48322.38  4661.27 56323.15  6704.44  344.730   16.653  371.276   22.344 -26.54645 27.86672 
1 1 1   28    6    3 o  613.259   20.831 153050.20 10372.84 157190.80 14671.28 148911.70 14667.55  620.794   29.106  604.147   29.900 16.64728 41.72757 
1 1 1   28    6    4 o  475.689   16.747 92009.49  6468.25 96410.12  9160.41 87633.59  9134.63  486.584   23.186  463.200   24.373 23.38382 33.63971 
1 1 1   28    6    5 o  602.560   23.492 147896.00 11493.47 150215.41 19851.58 146726.50 14096.38  603.928   40.721  599.656   28.951 4.272217 49.96344 
1 1 1   28    6    6 o  235.043   8.5274 22440.54  1627.43 24971.24  2322.57 19999.50  2281.05  247.888   11.539  221.453   12.739 26.43459 17.18856 
1 1 1   28    6    7 o  816.343   27.194 272550.69 18025.34 308122.81 25518.52 237127.91 25464.92  865.503   36.312  756.657   41.608 108.8465 55.22477 
1 1 1   28    6    8 o  853.961   28.410 299304.91 19698.90 327803.81 27887.87 270926.00 27829.13  889.622   38.607  805.961   42.677 83.66113 57.54902 
1 1 1   28    6    9 o  197.820   11.814 15981.01  1888.97 17751.40  2781.81 14466.22  2573.18  207.967   16.613  187.541   17.086 20.42598 23.83045 
1 1 1   28    6   10 o  638.931   31.500 168806.50 16341.91 167520.50 23232.89 170065.91 22990.92  628.678   45.829  633.959   44.955 -5.280640 64.19710 
1 1 1   28    6   11 o  141.897   10.538  8238.25  1205.51  8668.63  1851.23  7921.38  1588.47  144.867   16.005  138.658   14.315 6.209381 21.47301 
1 1 1   28    6   12 o  410.963   16.969 69038.59  5662.41 70088.63  6962.67 66987.66  9730.75  412.853   20.838  400.825   30.119 12.02768 36.62453 
1 1 1   28    6   13 o  422.502   17.101 73055.45  5866.52 75089.03  7217.29 69095.39 10071.56  427.526   20.791  406.208   30.764 21.31772 37.13076 
1 1 1   28    6   14 o  503.931   17.704 104135.50  7244.24 108565.30 10282.62 99770.03 10207.58  512.119   24.728  489.910   25.751 22.20877 35.70163 
1 1 1   28    6   15 o   74.843   9.0449  2314.45  538.510  1509.72  759.678  3127.24  763.471   59.603   15.538   86.861   11.077 -27.25879 19.08231 
1 1 1   28    6   16 o  226.701   9.6608 20973.96  1778.29 21478.46  2539.47 20488.54  2490.99  228.400   13.757  223.041   13.823 5.359329 19.50222 
1 1 1   28    6   17 o  172.770   8.8021 12225.25  1230.70 13559.14  1807.92 11073.38  1680.05  181.232   12.360  163.606   12.748 17.62503 17.75556 
1 1 1   28    6   18 o  149.085   8.4420  9120.01  1017.73  9534.97  1459.15  8726.89  1420.23  151.662   11.946  144.994   12.176 6.668015 17.05753 
1 1 1   28    6   19 o  246.957   10.310 25109.04  2067.38 26062.14  2975.28 24219.27  2874.74  249.391   14.759  240.362   14.802 9.029205 20.90229 
1 1 1   28    6   20 o  153.925   9.5929  9800.77  1192.98  9486.44  1703.88 10103.03  1670.86  149.797   14.177  154.941   13.413 -5.143829 19.51712 
1 1 1   28    6   21 o   71.289   11.593  2170.60  647.970  1824.88  846.755  2659.12  1006.56   64.099   16.248   77.453   16.510 -13.35371 23.16382 
1 1 1   28    6   22 o   61.296   15.825  1687.86  793.057  1856.37  876.294  925.119  1864.34   64.067   16.681   58.377   24.142 5.690727 29.34488 
1 1 1   28    6   23 o   52.093   14.555  1225.22  639.407  821.446  799.298  1942.85  1065.59   45.557   16.622   64.072   19.068 -18.51546 25.29592 
1 1 1   28    6   24 o   45.161   15.678  894.178  702.792  1346.93  919.161  256.970  1090.44   53.425   17.945   41.496   17.868 11.92942 25.32400 
1 1 1   28    8    0 o  563.326   39.673 130632.20 18030.56   0.0000   0.0000 130632.20 18030.56  ?   ?   563.326   39.673 0.000000 39.67289 
1 1 1   28    8    1 f  655.774   31.877 175597.70 16973.44 177899.20 24046.55 173312.41 23961.82  656.616   45.381  647.948   45.841 8.667480 64.50459 
1 1 1   28    8    2 o  542.419   24.812 119860.60 10927.88   0.0000   0.0000 119860.60 10927.88  ?   ?   542.419   24.812 0.000000 24.81208 
1 1 1   28    8    3 o  1348.32   95.962 780234.69 104372.00   0.0000   0.0000 780234.69 104372.00  ?   ?   1348.32   95.962 0.000000 95.96165 
1 1 1   28    8    4 o  560.640   22.505 128004.50 10244.66 154755.30 14487.01 101245.50 14489.25  615.817   28.973  496.097   36.220 119.7199 46.38245 
1 1 1   28    8    5 o  1845.93   71.954 1434654.00 107846.70 1612400.00 186938.91 1345985.00 132034.20  1891.32  122.386  1765.64   92.418 125.6776 153.3605 
1 1 1   28    8    6 o  848.223   33.014 295073.31 22737.35 324010.59 39527.54 280763.31 27796.50  879.110   55.663  823.934   41.684 55.17560 69.54102 
1 1 1   28    8    7 o  604.032   24.152 149198.70 11845.57 151360.70 20674.23 148142.09 14453.19  602.459   42.537  600.799   29.628 1.659424 51.83782 
1 1 1   28    8    8 o  913.602   44.552 349499.50 33049.27 361137.69 46848.15 337969.41 46630.07  912.596   63.621  880.906   65.664 31.68994 91.43002 
1 1 1   28    8    9 f  197.910   10.424 15976.68  1669.18 15976.68  1669.18   0.0000   0.0000  197.910   10.424  ?   ?  0.000000 10.42396 
1 1 1   28    8   10 o  301.971   12.244 37130.25  3002.14 36759.61  3692.00 37853.61  5157.78  299.838   15.215  303.306   21.074 -3.468353 25.99230 
1 1 1   28    8   11 o  282.593   11.033 32509.29  2531.60 32370.24  3611.51 32643.63  3549.73  281.139   15.886  282.379   15.542 -1.240204 22.22400 
1 1 1   28    8   12 o  422.309   15.254 72833.61  5230.56 72728.95  7436.81 72936.08  7358.08  420.153   21.875  420.828   21.607 -0.6753845 30.74667 
1 1 1   28    8   13 o  307.781   11.579 38609.67  2893.68 39472.26  4132.15 37779.60  4053.54  310.154   16.467  303.402   16.516 6.751648 23.32299 
1 1 1   28    8   14 o  276.849   10.626 31237.65  2388.68 30828.40  3409.66 31632.08  3347.42  274.027   15.386  277.682   14.901 -3.655212 21.41918 
1 1 1   28    8   15 o  232.664   9.7560 22069.52  1843.05 21531.13  2635.66 22584.71  2578.22  228.834   14.256  234.517   13.598 -5.682999 19.70119 
1 1 1   28    8   16 o  380.406   13.872 59469.60  4284.64 60290.87  6107.02 58673.48  6012.85  380.139   19.854  375.012   19.817 5.127380 28.05211 
1 1 1   28    8   17 o  125.921   8.4335  6506.48  857.287  7264.55  1261.16  5855.29  1168.87  132.433   11.854  118.686   12.308 13.74731 17.08790 
1 1 1   28    8   18 o   75.015   9.7484  2346.57  579.739  2985.24  812.951  1685.68  826.977   84.205   12.249   62.366   16.189 21.83904 20.30099 
1 1 1   28    8   19 o  116.202   8.8056  5572.55  824.650  5856.31  1135.52  5255.88  1199.58  118.343   11.982  111.603   13.513 6.739952 18.06041 
1 1 1   28    8   20 f   46.552   13.729  925.519  554.395  829.047  659.513  1157.89  1023.55   45.378   15.201   54.055   18.912 -8.677250 24.26399 
1 1 1   28    8   21 o   86.081   11.548  3146.98  786.793  2918.98  1010.64  3497.78  1253.58   81.340   15.872   88.310   18.091 -6.970741 24.06660 
1 1 1   28    8   22 o   86.399   11.169  3186.10  765.197  2924.01  1036.34  3500.25  1134.63   80.565   16.400   88.323   16.426 -7.758308 23.21122 
1 1 1   28    8   23 o   90.237   13.546  3605.95  961.874  3589.71  1045.31  3695.61  2456.87   89.253   14.953   81.105   29.209 8.148354 32.81389 
1 1 1   28    8   24 o   40.575   15.067  656.603  661.576  663.635  690.906  579.008  2295.00   40.997   15.363   54.591   24.588 -13.59428 28.99281 
1 1 1   28   10    0 o  964.878   45.688 382687.91 35794.00   0.0000   0.0000 382687.91 35794.00  ?   ?   964.878   45.688 0.000000 45.68773 
1 1 1   28   10    1 o  291.173   12.897 34454.45  3049.16 35220.73  5338.79 34083.48  3714.59  293.227   22.598  289.091   15.886 4.135529 27.62254 
1 1 1   28   10    2 o  509.092   21.572 105524.60  8917.21 99266.02 15597.35 108563.60 10868.64  490.566   39.492  515.379   26.057 -24.81326 47.31367 
1 1 1   28   10    3 f  366.722   15.588 54687.62  4641.71 55184.05  8188.25 54452.54  5634.49  366.710   27.704  365.291   19.063 1.419373 33.62905 
1 1 1   28   10    4 o   88.288   7.3292  3187.68  520.656  4521.16  1095.04  2798.16  591.835  104.635   13.181   82.507   8.9792 22.12786 15.94911 
1 1 1   28   10    5 o  195.859   12.066 15654.92  1909.46 19129.49  2783.10 12564.76  2624.64  216.215   15.966  174.622   18.808 41.59323 24.67055 
1 1 1   28   10    6 o  832.873   35.729 286090.41 24162.18 309739.00 29574.45 238619.20 41901.35  863.970   42.158  741.403   70.451 122.5667 82.10119 
1 1 1   28   10    7 o  506.557   19.683 104801.80  8095.82 103507.60  9902.23 107411.00 14059.60  502.640   24.263  508.668   34.240 -6.028015 41.96501 
1 1 1   28   10    8 o  310.537   13.864 39283.48  3495.75 41706.70  4298.31 34549.47  6007.81  319.306   16.636  288.895   25.886 30.41083 30.77111 
1 1 1   28   10    9 o  358.897   13.001 52464.28  3788.62 52383.51  5373.77 52544.10  5342.21  357.542   18.574  358.116   18.435 -0.5737915 26.16945 
1 1 1   28   10   10 o  519.944   18.358 110547.50  7750.46 109987.80 10983.84 111102.60 10937.92  516.043   26.301  519.396   25.936 -3.353455 36.93785 
1 1 1   28   10   11 o  567.016   18.903 131654.20  8702.76 123543.00 12336.50 139689.70 12278.83  545.841   27.928  581.849   25.990 -36.00800 38.15068 
1 1 1   28   10   12 o  149.777   7.7060  9146.42  933.975  9661.84  1329.01  8643.50  1312.82  153.654   10.720  145.231   11.220 8.423416 15.51754 
1 1 1   28   10   13 o  332.760   12.672 45183.32  3423.94 44735.16  4876.74 45619.00  4808.35  329.712   18.288  333.070   17.844 -3.358307 25.55131 
1 1 1   28   10   14 o  323.105   12.776 42648.47  3351.69 44513.20  4784.21 40851.10  4697.00  328.615   17.999  314.640   18.466 13.97543 25.78659 
1 1 1   28   10   15 o   56.563   9.8878  1343.09  437.584  757.929  640.532  1855.19  599.208   44.445   14.980   66.436   11.526 -21.99086 18.90126 
1 1 1   28   10   16 o  268.098   10.589 29423.27  2305.14 31945.75  3305.00 27033.75  3216.71  277.925   14.698  255.305   15.592 22.61986 21.42738 
1 1 1   28   10   17 o  226.493   9.4855 21011.77  1744.42 22465.75  2518.58 19671.12  2418.44  232.823   13.379  217.686   13.753 15.13696 19.18717 
1 1 1   28   10   18 o  231.555   10.057 22039.56  1890.91 22950.95  2719.69 21186.75  2630.83  234.395   14.359  225.126   14.469 9.269592 20.38469 
1 1 1   28   10   19 o  118.282   9.1933  5786.26  875.998  6303.40  1164.72  5112.75  1329.21  122.772   11.830  109.311   15.403 13.46039 19.42167 
1 1 1   28   10   20 o   90.311   9.4310  3401.64  681.371  3707.65  853.860  2865.16  1130.58   93.762   11.454   80.215   17.821 13.54699 21.18461 
1 1 1   28   10   21 o   37.738   12.965  558.386  479.961  474.591  545.787  844.276  1008.12   37.056   13.700   49.008   18.518 -11.95176 23.03477 
1 1 1   28   10   22 o  124.982   10.205  6591.27  1026.58  7860.72  1367.44  4951.80  1554.00  135.269   12.595  103.351   19.226 31.91790 22.98393 
1 1 1   28   10   23 o   28.579   12.638 -106.8938  577.789 -60.3891  669.499 -242.6166  1143.74   31.273   13.725   38.591   17.372 -7.317619 22.13900 
1 1 1   28   12    0 o  232.848   13.674 22117.65  2573.93   0.0000   0.0000 22117.65  2573.93  ?   ?   232.848   13.674 0.000000 13.67399 
1 1 1   28   12    1 o  711.007   34.509 207091.00 19922.62 217222.20 28239.52 197052.09 28110.60  723.557   48.345  688.264   50.657 35.29254 70.02425 
1 1 1   28   12    2 o   98.034   10.486  3949.87  821.748  4628.35  1240.34  3419.08  1097.06  105.644   14.871   90.414   15.502 15.22988 21.48140 
1 1 1   28   12    3 o  174.294   11.652 12404.01  1639.51 13898.37  2400.29 11097.02  2244.76  184.085   16.224  164.222   17.085 19.86351 23.56092 
1 1 1   28   12    4 o  137.271   10.789  7707.42  1192.83  9211.74  1781.52  6484.98  1605.95  149.714   14.851  125.170   16.180 24.54493 21.96249 
1 1 1   28   12    5 o  407.663   17.945 67765.64  5940.07 55495.47 10484.12 73566.69  7208.75  364.883   35.850  424.422   20.918 -59.53845 41.50615 
1 1 1   28   12    6 o  212.826   12.014 18490.32  2067.66 21891.74  3129.86 15856.34  2754.23  231.084   16.796  196.380   17.455 34.70361 24.22322 
1 1 1   28   12    7 o  486.598   19.311 96771.90  7629.98 106666.00 13431.20 92057.59  9271.22  506.697   32.822  473.098   24.216 33.59814 40.78882 
1 1 1   28   12    8 o  251.244   14.669 25820.83  2979.58 23826.93  4349.73 27583.54  4089.78  240.046   22.582  258.972   19.595 -18.92647 29.89820 
1 1 1   28   12    9 o  314.430   13.351 40290.26  3408.73 44514.82  4822.70 36072.80  4818.65  329.498   18.095  296.137   20.160 33.36102 27.08983 
1 1 1   28   12   10 o  318.221   12.016 41252.24  3104.79 44532.65  4402.61 38006.67  4379.17  330.144   16.424  304.319   17.800 25.82434 24.21931 
1 1 1   28   12   11 o  302.564   10.943 37284.41  2688.34 35951.07  3815.81 38598.47  3788.12  296.158   15.927  307.397   15.177 -11.23969 21.99997 
1 1 1   28   12   12 o  343.341   15.339 48200.34  4276.19 40199.62  7735.35 51721.40  5131.59  308.675   31.296  354.775   17.871 -46.10004 36.03902 
1 1 1   28   12   13 o  104.225   7.3091  4440.03  614.632  3575.12  818.006  5561.46  931.441   92.994   11.050  116.417   9.9493 -23.42303 14.86886 
1 1 1   28   12   14 o   57.449   8.7999  1375.34  397.408  1854.34  482.931  370.566  699.445   66.845   9.1369   38.928   15.236 27.91742 17.76554 
1 1 1   28   12   15 o  160.304   7.9863 10474.83  1039.51 10876.64  1478.52 10082.04  1461.81  162.648   11.265  156.506   11.586 6.141998 16.15928 
1 1 1   28   12   16 o  135.429   8.1583  7515.93  892.925  7760.00  1253.53  7264.53  1272.25  137.029   11.369  132.425   11.961 4.603867 16.50232 
1 1 1   28   12   17 o  164.144   8.7541 11061.59  1162.53 12595.31  1672.55  9628.10  1616.99  174.397   11.882  151.994   13.234 22.40334 17.78568 
1 1 1   28   12   18 o  169.495   8.9097 11820.86  1221.89 13333.79  1738.29 10343.16  1717.93  179.092   12.024  157.104   13.601 21.98834 18.15400 
1 1 1   28   12   19 o  156.635   9.1927 10134.67  1164.03 10751.76  1597.56  9436.29  1699.53  160.255   12.373  149.359   14.184 10.89638 18.82250 
1 1 1   28   12   20 o   58.613   11.298  1476.92  518.201  1485.90  598.116  1449.88  1037.71   58.407   12.951   58.127   19.052 0.2803078 23.03770 
1 1 1   28   12   21 o   31.443   11.359  353.735  371.969  563.265  394.832 -1299.9110  1109.20   36.806   11.726   32.040   15.289 4.766247 19.26842 
1 1 1   28   12   22 o   74.657   11.089  2406.33  651.770  2577.98  764.448  1949.36  1247.27   76.642   12.731   64.128   20.881 12.51346 24.45622 
1 1 1   28   12   23 f   59.560   13.644  1624.47  645.651  2157.12  751.375  121.130  1262.30   68.701   13.946   42.779   18.808 25.92160 23.41447 
1 1 1   28   14    0 o   95.405   14.796  3791.47  1109.08   0.0000   0.0000  3791.47  1109.08  ?   ?    95.405   14.796 0.000000 14.79613 
1 1 1   28   14    1 o  123.196   8.9127  6199.67  885.524  6136.43  1638.52  6225.76  1052.46  121.558   17.071  123.298   10.616 -1.739632 20.10315 
1 1 1   28   14    2 o  393.797   16.930 63187.29  5413.44 60718.53  9389.25 64416.59  6625.55  383.322   30.417  396.732   20.639 -13.40936 36.75784 
1 1 1   28   14    3 o  936.917   39.495 364241.59 30045.96 336604.59 52300.12 377856.19 36708.07  874.573   74.355  948.428   47.821 -73.85474 88.40506 
1 1 1   28   14    4 o  530.115   25.874 115309.60 11136.93 118015.50 16027.97 112783.50 15486.01  532.048   37.338  520.223   36.901 11.82489 52.49572 
1 1 1   28   14    5 o  351.158   15.615 50277.89  4452.18 43194.44  7946.80 53518.34  5374.92  322.114   30.758  361.543   18.370 -39.42929 35.82580 
1 1 1   28   14    6 o  426.492   17.614 74275.94  6099.67 73065.46 10823.77 74839.27  7383.83  419.061   32.053  427.541   21.270 -8.479767 38.46824 
1 1 1   28   14    7 o  353.634   13.955 50968.96  4007.13 59456.95  7207.99 47172.31  4820.73  379.895   23.483  339.379   17.554 40.51666 29.31860 
1 1 1   28   14    8 o  529.334   26.917 115826.30 11531.02 113948.40 16465.25 117633.90 16153.87  519.810   39.301  528.889   37.867 -9.078308 54.57531 
1 1 1   28   14    9 o  277.470   12.599 31374.89  2838.55 30400.80  5207.90 31786.57  3385.66  270.786   23.933  278.664   15.019 -7.878021 28.25479 
1 1 1   28   14   10 o  240.258   11.680 23520.07  2278.64 22831.20  4258.25 23796.47  2697.32  234.504   22.645  241.099   13.836 -6.595810 26.53787 
1 1 1   28   14   11 o  284.416   10.379 32946.96  2396.99 31771.54  3392.00 34119.42  3387.72  278.404   15.061  288.999   14.437 -10.59491 20.86300 
1 1 1   28   14   12 o  254.471   12.192 26423.20  2519.14 25464.57  4769.01 26794.20  2966.83  246.905   24.095  255.608   14.353 -8.702744 28.04614 
1 1 1   28   14   13 o   23.211   9.2801  105.761  264.638 -76.3353  293.756  890.099  609.660   20.731   9.0948   46.755   14.528 -26.02431 17.13952 
1 1 1   28   14   14 f  147.735   8.1741  8921.16  976.717  8666.82  1374.01  9180.96  1388.68  145.077   11.766  149.384   11.538 -4.307022 16.47905 
1 1 1   28   14   15 f  261.770   10.386 28054.86  2207.47 29899.20  3180.87 26341.35  3065.98  268.752   14.632  252.066   15.049 16.68633 20.98936 
1 1 1   28   14   16 f  132.921   7.8508  7242.44  843.556  6725.57  1152.19  7839.57  1238.41  127.416   11.252  137.654   11.176 -10.23830 15.85967 
1 1 1   28   14   17 o  162.578   8.4157 10853.87  1107.13 11315.63  1551.44 10374.72  1580.40  165.168   11.643  157.882   12.429 7.286407 17.03013 
1 1 1   28   14   18 o  165.310   8.7313 11253.44  1167.82 10487.90  1609.25 12105.08  1697.35  158.351   12.621  170.287   12.360 -11.93616 17.66508 
1 1 1   28   14   19 o   49.081   11.019  1038.24  428.395  1030.61  470.432  1075.32  1036.78   48.788   11.966   52.896   18.982 -4.107563 22.43925 
1 1 1   28   14   20 o   39.214   10.740  661.806  352.041  866.620  378.553 -648.6581  957.546   44.748   10.585   33.112   15.279 11.63564 18.58694 
1 1 1   28   14   21 o   25.437   10.856   14.271  395.994 -154.4649  427.938  1019.60  1044.55   24.030   10.736   51.138   18.944 -27.10774 21.77465 
1 1 1   28   14   22 o   37.128   12.474  571.982  444.145  380.757  487.837  1498.35  1073.73   33.808   12.856   56.913   19.394 -23.10480 23.26815 
1 1 1   28   14   23 o   61.483   12.653  1721.12  610.592  1750.33  687.538  1612.10  1328.30   61.279   14.110   57.243   21.332 4.036251 25.57578 
1 1 1   28   16    0 o  714.006   51.645 217305.91 29738.84   0.0000   0.0000 217305.91 29738.84  ?   ?   714.006   51.645 0.000000 51.64452 
1 1 1   28   16    1 o  915.282   67.775 368639.00 50010.57   0.0000   0.0000 368639.00 50010.57  ?   ?   915.282   67.775 0.000000 67.77451 
1 1 1   28   16    2 o  621.975   25.411 158875.00 12833.21 155446.00 22260.23 160582.09 15705.96  606.074   45.568  623.560   31.020 -17.48639 55.12413 
1 1 1   28   16    3 o  582.635   23.834 139275.50 11275.31 139379.20 19517.07 139223.50 13813.75  575.128   42.086  580.231   29.417 -5.103271 51.34764 
1 1 1   28   16    4 o   79.462   7.1667  2586.86  457.426  5819.66  1177.09  2011.82  496.445  118.915   12.372   69.769   8.9712 49.14671 15.28230 
1 1 1   28   16    5 o  554.457   17.474 125574.50  7866.96 170851.70 13932.73 104383.20  9531.80  644.140   26.639  504.323   23.277 139.8163 35.37592 
1 1 1   28   16    6 o  182.792   9.0469 13588.68  1342.76 16288.56  2668.67 12673.46  1553.76  199.030   16.667  176.123   10.919 22.90694 19.92503 
1 1 1   28   16    7 o  711.636   35.498 211513.80 20511.63 213462.91 29179.46 209610.00 28839.17  702.609   51.507  696.321   51.370 6.288391 72.74503 
1 1 1   28   16    8 o  434.131   17.888 77123.72  6305.69 78224.20 11277.81 76623.22  7605.62  432.247   32.368  431.370   21.785 0.8766479 39.01643 
1 1 1   28   16    9 o  124.107   9.0693  6300.47  907.594  6220.59  1902.43  6324.01  1032.69  121.584   19.964  124.201   10.334 -2.616585 22.47962 
1 1 1   28   16   10 o   47.373   13.745  934.367  559.715  261.882  1346.70  1074.79  615.384   49.419   20.485   50.644   14.324 -1.225010 24.99633 
1 1 1   28   16   11 o  405.698   17.131 67493.00  5643.30 69823.72 10199.46 66464.69  6774.79  406.955   31.102  401.113   20.873 5.842194 37.45741 
1 1 1   28   16   12 f  497.441   20.558 102198.80  8303.68 105073.10 14838.53 100888.30 10019.38  493.701   37.291  491.560   25.188 2.141235 45.00039 
1 1 1   28   16   13 o   38.268   14.218  462.659  589.185 -520.6556  1277.76  728.188  663.986   41.448   18.532   44.182   15.245 -2.733738 23.99656 
1 1 1   28   16   14 o  281.255   13.468 32543.58  3075.61 34367.24  6144.93 31934.03  3552.63  282.313   27.141  277.487   15.833 4.826538 31.42221 
1 1 1   28   16   15 o  127.784   7.7804  6691.98  803.425  6607.37  1081.65  6796.12  1199.97  126.457   10.633  128.039   11.670 -1.582573 15.78794 
1 1 1   28   16   16 o  116.075   8.2092  5540.20  768.719  6755.21  1016.21  3914.88  1175.34  127.896   9.8617   95.689   15.670 32.20702 18.51482 
1 1 1   28   16   17 o  223.344   9.8836 20534.06  1792.37 20853.18  2575.36 20234.28  2496.07  222.986   14.299  219.755   14.063 3.230820 20.05559 
1 1 1   28   16   18 o   39.426   9.9121  666.536  316.975  882.230  337.477 -948.6954  923.511   45.450   9.4528   30.540   14.389 14.90943 17.21616 
1 1 1   28   16   19 o   94.649   8.9710  3730.90  681.202  4319.54  816.568  2383.64  1235.35  101.599   10.029   72.326   20.239 29.27246 22.58751 
1 1 1   28   16   20 o   60.400   23.918  1285.19  1742.03  1957.40  2090.13 -244.0408  3152.49   68.675   26.487   62.868   28.519 5.807110 38.92174 
1 1 1   28   16   21 o   73.062   10.687  2296.87  615.277  2188.45  708.779  2628.38  1239.42   70.432   12.868   73.905   20.115 -3.472771 23.87923 
1 1 1   28   16   22 o  171.457   10.813 12651.93  1497.60 13103.06  2057.04 12143.15  2184.56  170.106   15.048  161.603   16.898 8.503860 22.62768 
1 1 1   28   18    0 o  411.082   21.701 69465.63  7217.76   0.0000   0.0000 69465.63  7217.76  ?   ?   411.082   21.701 0.000000 21.70091 
1 1 1   28   18    1 o  684.849   34.551 195596.20 19151.06   0.0000   0.0000 195596.20 19151.06  ?   ?   684.849   34.551 0.000000 34.55113 
1 1 1   28   18    2 o  210.432   11.707 18084.79  1992.44 18646.64  3522.85 17820.54  2415.97  212.379   20.692  208.572   14.353 3.807129 25.18256 
1 1 1   28   18    3 o  697.420   28.108 200820.70 15916.86 203078.70 27592.26 199694.70 19485.81  687.695   49.750  691.585   34.812 -3.890991 60.72026 
1 1 1   28   18    4 o  548.442   20.876 123298.40  9296.53 129554.40 16502.28 120390.00 11251.89  555.492   36.795  540.619   25.633 14.87280 44.84354 
1 1 1   28   18    5 o  455.873   19.716 85135.70  7297.98 81460.66 13039.11 86812.12  8806.59  439.634   36.868  458.832   23.719 -19.19775 43.83881 
1 1 1   28   18    6 o  276.275   16.464 31304.16  3676.58 29752.71  5383.96 32659.79  5032.73  267.520   25.079  281.070   22.234 -13.55017 33.51537 
1 1 1   28   18    7 o  271.116   11.996 29955.50  2640.78 32262.49  5007.54 29066.72  3108.11  279.210   22.273  266.454   14.420 12.75565 26.53346 
1 1 1   28   18    8 o  271.934   12.662 30160.93  2795.89 29121.90  5314.41 30558.56  3287.63  264.318   25.062  273.083   14.883 -8.764984 29.14785 
1 1 1   28   18    9 f  372.104   15.052 56617.46  4547.71 66126.78  8382.09 52650.60  5413.79  398.518   26.047  357.665   18.707 40.85309 32.06866 
1 1 1   28   18   10 o  615.424   25.965 157447.50 12975.04 145592.59 22974.31 162999.50 15722.50  572.435   49.928  623.037   31.079 -50.60223 58.81126 
1 1 1   28   18   11 o  189.221   10.884 14656.06  1665.16 14777.61  3449.36 14619.13  1901.38  187.361   23.167  188.739   12.477 -1.378372 26.31374 
1 1 1   28   18   12 o  153.273   10.868  9645.55  1343.82  8388.09  3334.55  9889.37  1468.34  137.837   30.593  155.063   11.749 -17.22603 32.77152 
1 1 1   28   18   13 o   56.208   14.134  1351.48  644.405 -1432.9910  2610.38  1532.18  664.986   56.460   25.742   59.837   13.945 -3.377045 29.27670 
1 1 1   28   18   14 o   71.528   12.744  2169.24  713.030  4759.24  2342.02  1904.65  748.566  102.849   27.509   66.638   14.265 36.21075 30.98779 
1 1 1   28   18   15 f  132.619   11.233  7292.67  1198.23 11776.83  3585.04  6728.75  1271.35  161.268   28.416  127.035   12.487 34.23354 31.03894 
1 1 1   28   18   16 o  156.442   11.692 10175.70  1474.41 13211.79  4199.72  9748.89  1574.64  167.079   32.124  152.745   12.815 14.33415 34.58543 
1 1 1   28   18   17 o  138.904   12.533  8095.90  1398.34 13895.77  4337.73  7423.28  1477.20  168.909   32.811  132.451   13.945 36.45784 35.65103 
1 1 1   28   18   18 o  207.877   13.022 18205.74  2186.96 23049.49  5353.72 17235.59  2395.98  216.901   31.305  201.203   14.769 15.69832 34.61398 
1 1 1   28   18   19 o   81.185   17.380  2969.52  1111.09  5344.01  4727.36  2830.68  1143.12   98.306   39.251   78.896   18.213 19.41031 43.27089 
1 1 1   28   18   20 o   62.029   19.665  1777.69  1111.45   0.0000   0.0000  1777.69  1111.45  ?   ?    62.029   19.665 0.000000 19.66509 
1 1 1   28   18   21 f   35.160   16.232 -579.7752  1082.60   0.0000   0.0000 -579.7752  1082.60  ?   ?    35.160   16.232 0.000000 16.23160 
1 1 1   28   18   22 o   44.717   20.866 -574.9036  1864.21   0.0000   0.0000 -574.9036  1864.21  ?   ?    44.717   20.866 0.000000 20.86630 
1 1 1   28   20    0 o  420.390   22.407 72828.93  7620.87   0.0000   0.0000 72828.93  7620.87  ?   ?   420.390   22.407 0.000000 22.40700 
1 1 1   28   20    1 o  339.739   19.120 47424.80  5252.88   0.0000   0.0000 47424.80  5252.88  ?   ?   339.739   19.120 0.000000 19.11978 
1 1 1   28   20    2 o  313.656   14.879 40160.04  3789.29 36431.35  6689.76 41921.54  4598.06  295.387   28.236  319.603   17.789 -24.21677 33.37243 
1 1 1   28   20    3 o  138.464   11.034  7856.87  1230.26  8226.16  2240.71  7697.51  1471.97  140.214   20.270  136.734   13.432 3.480118 24.31603 
1 1 1   28   20    4 o  502.285   21.357 103656.90  8710.13 101959.60 15098.65 104503.60 10663.36  490.478   38.214  502.168   26.243 -11.69012 46.35736 
1 1 1   28   20    5 o  158.375   13.566 10308.90  1727.62 11726.06  2636.94  9243.13  2286.77  167.938   19.713  148.907   19.372 19.03072 27.63845 
1 1 1   28   20    6 o  288.326   14.806 34054.88  3454.51 27953.99  6513.03 36443.06  4074.92  256.802   31.924  297.891   16.917 -41.08911 36.12950 
1 1 1   28   20    7 o  344.677   16.165 48628.45  4523.96 42992.53  8363.51 50959.51  5378.77  318.557   32.803  351.826   18.898 -33.26938 37.85745 
1 1 1   28   20    8 o  482.621   20.455 95915.11  8015.89 94564.32 14448.24 96515.77  9634.67  469.724   38.213  481.986   24.702 -12.26151 45.50198 
1 1 1   28   20    9 o  364.372   15.242 54381.04  4509.55 60567.95  8455.52 51921.73  5331.01  379.826   27.606  354.815   18.569 25.01111 33.26957 
1 1 1   28   20   10 o  167.312   11.646 11489.17  1572.31  3484.22  3454.40 13580.92  1765.83   96.406   34.644  181.912   12.023 -85.50586 36.67050 
1 1 1   28   20   11 o   48.814   14.462  993.115  613.959 -3248.6011  2503.75  1264.49  633.295   47.857   22.874   54.491   14.178 -6.634144 26.91153 
1 1 1   28   20   12 o  202.104   10.945 16780.66  1789.40 25406.82  3978.27 14592.84  2003.51  245.682   20.119  187.907   13.216 57.77496 24.07131 
1 1 1   28   20   13 o   28.693   12.790 -230.9902  603.667 -1098.6610  2035.99 -147.3607  632.090   49.934   22.754   30.389   13.336 19.54491 26.37443 
1 1 1   28   20   14 o  155.495   11.249 10007.84  1410.63  9025.34  3710.88 10173.79  1525.12  138.094   33.449  156.553   12.092 -18.45950 35.56754 
1 1 1   28   20   15 o   49.316   16.332  983.462  761.782 -5935.0112  3362.33  1357.81  782.120   49.553   24.323   56.165   16.234 -6.612011 29.24282 
1 1 1   28   20   16 o   84.264   15.441  3077.16  1017.53 -4174.7490  3888.62  3610.19  1054.26   58.836   28.224   91.699   14.653 -32.86249 31.80084 
1 1 1   28   20   17 o   47.015   16.998  821.568  833.168 -773.0302  4071.24  891.270  851.183   70.312   32.093   48.289   17.213 22.02318 36.41788 
1 1 1   28   20   18 o  117.845   14.419  5991.30  1350.94 12012.75  5116.75  5540.11  1400.64  140.873   41.753  112.639   15.745 28.23452 44.62259 
1 1 1   28   20   19 o   69.378   19.213  2245.30  1119.37   0.0000   0.0000  2245.30  1119.37  ?   ?    69.378   19.213 0.000000 19.21290 
1 1 1   28   20   20 o   37.847   16.758 -106.5588  1019.29   0.0000   0.0000 -106.5588  1019.29  ?   ?    37.847   16.758 0.000000 16.75807 
1 1 1   28   20   21 o   79.551   20.681  3255.15  1348.27   0.0000   0.0000  3255.15  1348.27  ?   ?    79.551   20.681 0.000000 20.68138 
1 1 1   28   22    0 f   80.667   15.567  2749.64  982.682   0.0000   0.0000  2749.64  982.682  ?   ?    80.667   15.567 0.000000 15.56697 
1 1 1   28   22    1 o   74.129   16.997  2339.06  1001.23   0.0000   0.0000  2339.06  1001.23  ?   ?    74.129   16.997 0.000000 16.99699 
1 1 1   28   22    2 o   82.097   15.457  2844.79  992.568   0.0000   0.0000  2844.79  992.568  ?   ?    82.097   15.457 0.000000 15.45711 
1 1 1   28   22    3 o  451.027   19.621 83562.91  7185.76 80821.99 12587.53 84887.95  8751.97  436.369   35.843  452.720   23.893 -16.35132 43.07674 
1 1 1   28   22    4 o  133.720   12.084  7351.78  1297.91  7008.10  2359.90  7500.83  1554.06  128.345   23.512  134.725   14.431 -6.380798 27.58707 
1 1 1   28   22    5 o  204.365   8.8822 17000.48  1473.90 22079.46  3497.97 15904.09  1625.22  231.112   18.803  197.324   10.178 33.78732 21.38145 
1 1 1   28   22    6 o  263.175   11.277 28245.21  2409.77 33364.90  4901.51 26613.30  2767.30  283.613   21.443  254.876   13.419 28.73668 25.29575 
1 1 1   28   22    7 f  203.508   9.9409 16877.94  1642.65 24237.54  3642.09 14998.57  1840.47  242.026   18.678  191.322   11.906 50.70390 22.14988 
1 1 1   28   22    8 o  551.020   23.953 126352.30 10716.73 119690.70 19298.70 129322.40 12886.18  517.695   46.403  553.825   28.755 -36.12964 54.59041 
1 1 1   28   22    9 o  372.215   14.919 56899.71  4508.90 73857.81  8757.75 50783.48  5259.52  418.546   25.897  350.076   18.570 68.47025 31.86669 
1 1 1   28   22   10 o  178.746   10.901 13120.18  1574.55 17721.85  3807.51 12170.88  1729.35  204.095   23.398  171.825   12.481 32.27084 26.51887 
1 1 1   28   22   11 o   54.120   14.248  1252.59  634.673 -642.0596  2827.01  1353.16  651.299   62.767   27.845   56.190   14.253 6.577312 31.28085 
1 1 1   28   22   12 o  154.267   10.937  9825.38  1361.03  9700.39  3613.59  9846.04  1469.23  145.164   31.558  154.215   11.823 -9.050461 33.70021 
1 1 1   28   22   13 f  184.841   11.679 14148.36  1743.78 17892.90  4313.47 13416.84  1906.52  199.959   27.279  179.500   13.173 20.45859 30.29316 
1 1 1   28   22   14 o   75.956   15.630  2503.39  931.791  5309.85  2978.59  2198.95  981.029  105.625   31.982   70.793   17.230 34.83203 36.32770 
1 1 1   28   22   15 f  141.182   12.265  8348.43  1392.03  6620.01  4397.17  8540.94  1467.50  113.335   39.224  142.616   12.809 -29.28136 41.26273 
1 1 1   28   22   16 o  121.869   13.095  6294.19  1275.50 12375.96  4782.78  5828.53  1323.43  151.214   38.771  116.776   14.253 34.43816 41.30765 
1 1 1   28   22   17 o   47.926   18.084  800.855  960.627 -4808.8809  4863.94  1028.55  979.929   63.162   30.612   51.286   18.449 11.87693 35.74137 
1 1 1   28   22   18 o   46.110   18.477  598.771  1051.60   0.0000   0.0000  598.771  1051.60  ?   ?    46.110   18.477 0.000000 18.47654 
1 1 1   28   22   19 o   51.151   18.351  1108.67  968.855   0.0000   0.0000  1108.67  968.855  ?   ?    51.151   18.351 0.000000 18.35065 
1 1 1   28   22   20 o   62.580   20.939  1968.06  1251.39   0.0000   0.0000  1968.06  1251.39  ?   ?    62.580   20.939 0.000000 20.93929 
1 1 1   28   24    0 o  363.202   20.923 54577.02  6144.30   0.0000   0.0000 54577.02  6144.30  ?   ?   363.202   20.923 0.000000 20.92317 
1 1 1   28   24    1 o  133.344   15.389  7374.66  1635.58   0.0000   0.0000  7374.66  1635.58  ?   ?   133.344   15.389 0.000000 15.38900 
1 1 1   28   24    2 f  124.271   15.589  6421.92  1538.35   0.0000   0.0000  6421.92  1538.35  ?   ?   124.271   15.589 0.000000 15.58873 
1 1 1   28   24    3 o  165.293   12.992 11230.23  1729.59 12734.29  3280.57 10651.20  2035.47  173.734   23.887  160.462   15.829 13.27199 28.65592 
1 1 1   28   24    4 o  227.665   13.824 21277.22  2543.46 21370.34  4584.57 21235.82  3057.06  225.235   25.519  226.868   16.713 -1.633286 30.50466 
1 1 1   28   24    5 o  102.911   15.222  4432.61  1233.58  5006.40  2185.36  4164.28  1494.43  107.507   25.433   98.867   19.309 8.640625 31.93190 
1 1 1   28   24    6 o  151.709   9.6731  9422.33  1185.35 14287.96  2092.40  7122.88  1438.42  186.249   13.937  131.188   13.706 55.06152 19.54733 
1 1 1   28   24    7 o  154.176   11.083  9763.11  1378.22  7946.45  3989.01 10009.37  1468.66  133.023   36.038  156.020   11.678 -22.99623 37.88255 
1 1 1   28   24    8 o  223.911   12.441 20619.61  2253.01 17285.51  5085.77 21433.70  2513.07  197.455   32.877  228.010   13.637 -30.55481 35.59315 
1 1 1   28   24    9 o  497.358   21.475 104068.90  8672.36 115378.30 16148.54 99485.18 10280.68  501.477   39.992  481.393   26.402 20.08395 47.92105 
1 1 1   28   24   10 o  403.264   16.744 67766.37  5482.45 82844.87 10786.28 62513.91  6366.11  431.818   30.969  384.406   20.470 47.41205 37.12265 
1 1 1   28   24   11 o   31.693   13.084  127.633  546.242  1346.45  2670.41   74.408  558.042   72.415   29.293   31.221   13.084 41.19463 32.08167 
1 1 1   28   24   12 o   84.781   12.442  3034.37  831.031 -2254.1230  3754.99  3306.74  852.162   64.527   29.943   88.646   12.160 -24.11852 32.31801 
1 1 1   28   24   13 o  124.071   11.613  6424.92  1156.29  8955.93  4337.38  6231.28  1199.70  132.379   38.221  121.976   12.280 10.40282 40.14495 
1 1 1   28   24   14 o  122.267   12.577  6291.73  1230.76  6871.08  4110.88  6234.69  1289.93  115.022   37.932  121.457   13.297 -6.435501 40.19487 
1 1 1   28   24   15 o   95.586   15.068  3957.31  1130.76 -7758.6191  4828.01  4637.26  1163.11   57.981   28.593  103.985   14.143 -46.00418 31.89966 
1 1 1   28   24   16 o   37.530   16.389 -82.7089  944.296  4010.70  3859.81 -343.3081  973.890   90.497   35.676   35.804   16.081 54.69298 39.13317 
1 1 1   28   24   17 o   46.430   18.027  708.451  973.176   0.0000   0.0000  708.451  973.176  ?   ?    46.430   18.027 0.000000 18.02699 
1 1 1   28   24   18 o   52.996   19.937  1138.53  1165.68   0.0000   0.0000  1138.53  1165.68  ?   ?    52.996   19.937 0.000000 19.93698 
1 1 1   28   24   19 o   61.514   20.341  1872.52  1181.89   0.0000   0.0000  1872.52  1181.89  ?   ?    61.514   20.341 0.000000 20.34130 
1 1 1   28   26    0 o  277.208   18.569 31842.15  4155.34   0.0000   0.0000 31842.15  4155.34  ?   ?   277.208   18.569 0.000000 18.56868 
1 1 1   28   26    1 o  133.622   16.187  7442.49  1720.45   0.0000   0.0000  7442.49  1720.45  ?   ?   133.622   16.187 0.000000 16.18749 
1 1 1   28   26    2 o  276.436   19.055 31720.35  4250.96   0.0000   0.0000 31720.35  4250.96  ?   ?   276.436   19.055 0.000000 19.05528 
1 1 1   28   26    3 o  208.051   17.116 17955.30  2865.75   0.0000   0.0000 17955.30  2865.75  ?   ?   208.051   17.116 0.000000 17.11587 
1 1 1   28   26    4 o  470.076   63.643 110802.30 23666.98   0.0000   0.0000 110802.30 23666.98  ?   ?   470.076   63.643 0.000000 63.64262 
1 1 1   28   26    5 o  356.506   17.979 52777.41  5187.54 56311.98  9343.62 51202.41  6237.13  359.571   32.349  349.145   22.115 10.42596 39.18626 
1 1 1   28   26    6 o  274.904   13.383 31078.59  2987.26 36813.05  6645.22 29626.27  3344.22  291.581   28.430  267.408   15.468 24.17313 32.36530 
1 1 1   28   26    7 o  102.042   9.4253  4294.13  772.107  3795.07  3730.81  4316.46  789.192   97.863   35.880  102.277   9.6161 -4.414009 37.14584 
1 1 1   28   26    8 o  254.336   11.545 26598.21  2384.11 43133.52  5979.28 23472.40  2599.71  316.991   23.396  238.008   13.508 78.98245 27.01559 
1 1 1   28   26    9 o  123.149   9.7638  6258.77  968.312 12340.11  3575.54  5777.46  1005.90  165.962   27.496  118.113   10.602 47.84848 29.46917 
1 1 1   28   26   10 o   30.633   12.521  146.764  493.936  2589.49  3606.36  100.065  498.635   86.879   34.410   30.023   12.457 56.85607 36.59550 
1 1 1   28   26   11 o   89.159   12.228  3351.49  861.920 -2552.6370  4189.19  3612.47  880.764   67.118   31.306   92.686   11.984 -25.56734 33.52157 
1 1 1   28   26   12 o   83.929   13.412  3007.44  883.239  6003.90  4542.94  2889.73  900.420  109.576   39.681   82.057   14.018 27.51860 42.08384 
1 1 1   28   26   13 o   71.275   15.165  2222.39  850.656  2824.15  4826.89  2203.10  864.181   90.692   38.267   70.882   15.451 19.80955 41.26863 
1 1 1   28   26   14 o   71.363   15.979  2255.99  902.879  8768.98  5181.60  2052.05  916.906  121.538   42.550   67.836   16.747 53.70196 45.72715 
1 1 1   28   26   15 o   87.943   15.821  3418.96  1088.16  969.160  4796.94  3551.86  1117.29   78.729   35.495   89.625   15.937 -10.89560 38.90884 
1 1 1   28   26   16 o   48.127   18.057  859.497  954.916   0.0000   0.0000  859.497  954.916  ?   ?    48.127   18.057 0.000000 18.05662 
1 1 1   28   26   17 o   48.554   18.735  869.058  1046.03   0.0000   0.0000  869.058  1046.03  ?   ?    48.554   18.735 0.000000 18.73487 
1 1 1   28   26   18 o   26.510   12.910 -1384.3030  893.475   0.0000   0.0000 -1384.3030  893.475  ?   ?    26.510   12.910 0.000000 12.90992 
1 1 1   28   28    0 o  132.719   28.713  7845.59  3004.34   0.0000   0.0000  7845.59  3004.34  ?   ?   132.719   28.713 0.000000 28.71342 
1 1 1   28   28    1 o  208.066   26.698 18775.31  4406.44   0.0000   0.0000 18775.31  4406.44  ?   ?   208.066   26.698 0.000000 26.69834 
1 1 1   28   28    2 o  108.619   27.251  5258.65  2399.43   0.0000   0.0000  5258.65  2399.43  ?   ?   108.619   27.251 0.000000 27.25147 
1 1 1   28   28    3 o  178.364   24.624 13783.02  3471.03   0.0000   0.0000 13783.02  3471.03  ?   ?   178.364   24.624 0.000000 24.62355 
1 1 1   28   28    4 o  232.414   16.382 22563.02  3071.63 28405.66  5956.96 20446.93  3584.97  253.456   29.497  219.525   20.344 33.93039 35.83240 
1 1 1   28   28    5 o  106.836   19.627  4943.52  1639.88  5418.19  3396.26  4799.21  1872.64  108.777   34.364  104.274   22.757 4.503052 41.21600 
1 1 1   28   28    6 o  130.864   18.403  7328.16  1901.39  8266.45  3870.66  7029.72  2182.92  131.686   35.425  126.787   22.002 4.898773 41.70185 
1 1 1   28   28    7 f  121.849   9.9998  6137.46  980.632  3928.20  4308.40  6258.17  1007.07   99.006   38.072  123.010   10.174 -24.00418 39.40759 
1 1 1   28   28    8 o  191.035   11.510 15118.82  1777.02 19800.67  5799.02 14633.62  1866.83  202.418   36.632  187.661   12.320 14.75725 38.64795 
1 1 1   28   28    9 o   99.566   10.875  4137.77  864.867 -36.0348  4783.64  4278.82  879.359   80.668   35.977  101.270   10.864 -20.60141 37.58165 
1 1 1   28   28   10 o  312.723   17.084 41628.14  4321.49 33973.64  9919.60 43421.22  4801.04  240.789   52.238  317.982   18.677 -77.19278 55.47679 
1 1 1   28   28   11 o  179.491   12.713 13512.32  1840.77 12925.26  5744.19 13579.50  1943.25  150.565   44.133  179.613   13.422 -29.04747 46.12856 
1 1 1   28   28   12 f  189.963   12.451 15162.04  1909.89 19054.57  6802.31 14828.92  1989.94  178.164   46.519  187.491   13.155 -9.326706 48.34343 
1 1 1   28   28   13 o   58.581   16.690  1524.65  832.268 -288.0638  4786.22  1581.17  845.143   75.253   34.516   59.590   16.763 15.66355 38.37123 
1 1 1   28   28   14 o   41.733   16.442  500.774  819.299 -4621.1162  5222.52  630.008  829.570   64.760   31.463   43.668   16.726 21.09279 35.63263 
1 1 1   28   28   15 o  127.869   15.071  7205.16  1534.66   0.0000   0.0000  7205.16  1534.66  ?   ?   127.869   15.071 0.000000 15.07070 
1 1 1   28   28   16 f   49.997   19.381  944.913  1123.51   0.0000   0.0000  944.913  1123.51  ?   ?    49.997   19.381 0.000000 19.38125 
1 1 1   28   28   17 o   38.556   17.164 -69.5694  1083.58   0.0000   0.0000 -69.5694  1083.58  ?   ?    38.556   17.164 0.000000 17.16448 
1 1 1   28   30    0 o   90.999   23.074  3699.98  1707.29   0.0000   0.0000  3699.98  1707.29  ?   ?    90.999   23.074 0.000000 23.07363 
1 1 1   28   30    1 o   73.945   24.176  2326.69  1671.23   0.0000   0.0000  2326.69  1671.23  ?   ?    73.945   24.176 0.000000 24.17576 
1 1 1   28   30    2 o  109.224   22.336  5288.48  1914.11   0.0000   0.0000  5288.48  1914.11  ?   ?   109.224   22.336 0.000000 22.33646 
1 1 1   28   30    3 o  148.516   21.249  9602.29  2489.36   0.0000   0.0000  9602.29  2489.36  ?   ?   148.516   21.249 0.000000 21.24872 
1 1 1   28   30    4 o   40.029   18.458 -973.1495  1394.11   0.0000   0.0000 -973.1495  1394.11  ?   ?    40.029   18.458 0.000000 18.45831 
1 1 1   28   30    5 o  175.789   18.396 13234.47  2586.87 14737.60  5866.46 12871.65  2882.22  168.017   42.863  171.970   21.083 -3.953644 47.76768 
1 1 1   28   30    6 o   80.201   25.832  2853.19  1912.07 -66.0040  4562.91  3474.99  2105.89   78.944   35.178   87.380   26.975 -8.436073 44.33009 
1 1 1   28   30    7 o  163.832   10.250 11113.24  1356.72 14895.84  5713.25 10887.19  1396.67  167.366   42.084  162.017   10.677 5.348877 43.41762 
1 1 1   28   30    8 o  108.085   10.176  4864.53  882.550 11534.75  4484.27  4595.75  900.156  149.860   37.060  104.886   10.720 44.97441 38.57917 
1 1 1   28   30    9 o   64.242   11.835  1768.50  594.574  146.945  5722.99  1786.19  597.809   84.536   38.378   64.569   11.839 19.96770 40.16224 
1 1 1   28   30   10 o   36.047   13.113  457.687  496.884  2876.25  5906.01  440.446  498.651   93.419   40.887   35.739   13.115 57.68045 42.93864 
1 1 1   28   30   11 o   40.326   14.310  614.488  587.606 -7941.5659  6238.42  691.077  590.230   66.478   32.729   41.808   14.376 24.66957 35.74722 
1 1 1   28   30   12 o   92.058   13.953  3681.97  1010.24  6109.24  5887.12  3608.33  1025.45  101.421   42.499   90.942   14.364 10.47881 44.86069 
1 1 1   28   30   13 o   96.105   14.902  4075.59  1125.18   0.0000   0.0000  4075.59  1125.18  ?   ?    96.105   14.902 0.000000 14.90159 
1 1 1   28   30   14 o   43.364   17.495  524.730  949.924   0.0000   0.0000  524.730  949.924  ?   ?    43.364   17.495 0.000000 17.49541 
1 1 1   28   30   15 o   71.864   20.309  2571.57  1237.54   0.0000   0.0000  2571.57  1237.54  ?   ?    71.864   20.309 0.000000 20.30873 
1 1 1   28   30   16 o   49.842   20.977  804.160  1444.41   0.0000   0.0000  804.160  1444.41  ?   ?    49.842   20.977 0.000000 20.97663 
1 1 1   28   32    0 o   59.522   23.781  981.308  1736.39   0.0000   0.0000  981.308  1736.39  ?   ?    59.522   23.781 0.000000 23.78057 
1 1 1   28   32    1 o   42.499   19.684 -1147.0410  1611.60   0.0000   0.0000 -1147.0410  1611.60  ?   ?    42.499   19.684 0.000000 19.68427 
1 1 1   28   32    2 o  113.693   26.661  6033.46  2418.51   0.0000   0.0000  6033.46  2418.51  ?   ?   113.693   26.661 0.000000 26.66059 
1 1 1   28   32    3 o  178.297   23.475 14233.50  3315.90   0.0000   0.0000 14233.50  3315.90  ?   ?   178.297   23.475 0.000000 23.47511 
1 1 1   28   32    4 o   69.750   27.964  1510.39  2410.23   0.0000   0.0000  1510.39  2410.23  ?   ?    69.750   27.964 0.000000 27.96398 
1 1 1   28   32    5 o   56.782   24.305  309.317  1995.83  5549.87  5511.36 -481.6455  2141.16  106.364   42.408   53.558   23.965 52.80609 48.71117 
1 1 1   28   32    6 o  101.051   26.301  4845.10  2178.87  1886.32  5242.94  5462.78  2395.53   88.093   38.540  106.765   27.474 -18.67139 47.33024 
1 1 1   28   32    7 o  224.253   12.393 21101.57  2247.88 30672.64  8204.07 20324.72  2337.32  230.786   45.398  219.618   13.168 11.16820 47.26917 
1 1 1   28   32    8 o  174.783   11.469 12806.16  1618.63 18595.90  7564.54 12528.35  1657.01  164.810   51.167  172.665   11.891 -7.855469 52.53040 
1 1 1   28   32    9 o   67.179   10.951  1928.77  576.779  3666.80  5468.51  1909.21  580.014   92.358   39.891   66.793   11.083 25.56483 41.40170 
1 1 1   28   32   10 o   99.818   11.655  4241.48  926.847 16241.64  8127.18  4083.35  932.934  138.232   52.494   97.783   12.002 40.44941 53.84861 
1 1 1   28   32   11 o   40.844   14.633  640.310  615.845   0.0000   0.0000  640.310  615.845  ?   ?    40.844   14.633 0.000000 14.63285 
1 1 1   28   32   12 o   73.653   16.044  2478.40  932.346   0.0000   0.0000  2478.40  932.346  ?   ?    73.653   16.044 0.000000 16.04409 
1 1 1   28   32   13 o   56.142   18.911  1460.26  1020.77   0.0000   0.0000  1460.26  1020.77  ?   ?    56.142   18.911 0.000000 18.91106 
1 1 1   28   32   14 o   44.219   17.915  628.334  1000.52   0.0000   0.0000  628.334  1000.52  ?   ?    44.219   17.915 0.000000 17.91495 
1 1 1   28   34    0 o   62.530   24.848  1263.72  1886.26   0.0000   0.0000  1263.72  1886.26  ?   ?    62.530   24.848 0.000000 24.84808 
1 1 1   28   34    1 o  177.516   25.601 14712.68  3583.36   0.0000   0.0000 14712.68  3583.36  ?   ?   177.516   25.601 0.000000 25.60083 
1 1 1   28   34    2 o  151.930   28.562 11181.43  3394.16   0.0000   0.0000 11181.43  3394.16  ?   ?   151.930   28.562 0.000000 28.56228 
1 1 1   28   34    3 o  199.263   27.708 18968.79  4361.77   0.0000   0.0000 18968.79  4361.77  ?   ?   199.263   27.708 0.000000 27.70844 
1 1 1   28   34    4 o   75.325   30.389  2106.73  2865.86   0.0000   0.0000  2106.73  2865.86  ?   ?    75.325   30.389 0.000000 30.38903 
1 1 1   28   34    5 o  199.848   27.840 19326.21  4394.86   0.0000   0.0000 19326.21  4394.86  ?   ?   199.848   27.840 0.000000 27.83970 
1 1 1   28   34    6 o   66.173   27.627  1241.05  2474.66 -6789.7690  7537.35  2211.31  2619.89   74.049   36.361   73.977   29.320 0.7234192E-01 46.70924 
1 1 1   28   34    7 o   16.793   7.6673 -149.7386  232.605 -2193.0811  7467.01 -147.7539  232.718   80.534   38.756   16.830   7.6783 63.70393 39.50910 
1 1 1   28   34    8 o  137.780   12.308  8104.72  1362.40 -14870.9004  9084.15  8633.40  1377.98   68.665   34.641  142.383   12.032 -73.71814 36.67105 
1 1 1   28   34    9 o   84.088   10.975  3027.48  731.447   0.0000   0.0000  3027.48  731.447  ?   ?    84.088   10.975 0.000000 10.97474 
1 1 1   28   34   10 o   85.401   12.304  3179.63  828.568   0.0000   0.0000  3179.63  828.568  ?   ?    85.401   12.304 0.000000 12.30402 
1 1 1   28   34   11 o   51.538   15.389  1216.53  693.197   0.0000   0.0000  1216.53  693.197  ?   ?    51.538   15.389 0.000000 15.38912 
1 1 1   28   34   12 o   65.997   17.680  2119.49  966.470   0.0000   0.0000  2119.49  966.470  ?   ?    65.997   17.680 0.000000 17.67970 
1 1 1   28   34   13 o   63.638   18.602  2057.48  1021.75   0.0000   0.0000  2057.48  1021.75  ?   ?    63.638   18.602 0.000000 18.60169 
1 1 1   28   36    0 o   45.124   21.256 -1548.2419  2013.84   0.0000   0.0000 -1548.2419  2013.84  ?   ?    45.124   21.256 0.000000 21.25644 
1 1 1   28   36    1 o   81.834   30.340  3342.71  2680.38   0.0000   0.0000  3342.71  2680.38  ?   ?    81.834   30.340 0.000000 30.34024 
1 1 1   28   36    2 o   81.340   31.221  3261.61  2894.22   0.0000   0.0000  3261.61  2894.22  ?   ?    81.340   31.221 0.000000 31.22145 
1 1 1   28   36    3 o  117.655   35.959  8200.24  3752.77   0.0000   0.0000  8200.24  3752.77  ?   ?   117.655   35.959 0.000000 35.95871 
1 1 1   28   36    4 o   66.443   29.344  816.834  3105.60   0.0000   0.0000  816.834  3105.60  ?   ?    66.443   29.344 0.000000 29.34412 
1 1 1   28   36    5 o   74.170   30.787  2356.05  3048.04   0.0000   0.0000  2356.05  3048.04  ?   ?    74.170   30.787 0.000000 30.78749 
1 1 1   28   36    6 o  118.719   36.820  8994.81  3918.28   0.0000   0.0000  8994.81  3918.28  ?   ?   118.719   36.820 0.000000 36.81983 
1 1 1   28   36    7 o   56.863   11.581  1423.54  516.556   0.0000   0.0000  1423.54  516.556  ?   ?    56.863   11.581 0.000000 11.58137 
1 1 1   28   36    8 o   39.833   12.575  687.365  454.818   0.0000   0.0000  687.365  454.818  ?   ?    39.833   12.575 0.000000 12.57452 
1 1 1   28   36    9 o   61.565   12.883  1710.76  623.344   0.0000   0.0000  1710.76  623.344  ?   ?    61.565   12.883 0.000000 12.88329 
1 1 1   28   36   10 o   33.477   13.213  339.813  530.071   0.0000   0.0000  339.813  530.071  ?   ?    33.477   13.213 0.000000 13.21345 
1 1 1   28   36   11 o   59.226   15.887  1706.92  779.817   0.0000   0.0000  1706.92  779.817  ?   ?    59.226   15.887 0.000000 15.88731 
1 1 1   28   38    0 o   78.600   32.543  3520.68  3392.89   0.0000   0.0000  3520.68  3392.89  ?   ?    78.600   32.543 0.000000 32.54252 
1 1 1   28   38    1 o  110.963   36.648  8489.94  3836.75   0.0000   0.0000  8489.94  3836.75  ?   ?   110.963   36.648 0.000000 36.64764 
1 1 1   28   38    2 o  113.305   39.124  9640.96  4373.43   0.0000   0.0000  9640.96  4373.43  ?   ?   113.305   39.124 0.000000 39.12355 
1 1 1   28   38    3 o   72.519   32.175  2405.27  3776.00   0.0000   0.0000  2405.27  3776.00  ?   ?    72.519   32.175 0.000000 32.17541 
1 1 1   28   38    4 o   75.657   31.607  3321.76  3241.89   0.0000   0.0000  3321.76  3241.89  ?   ?    75.657   31.607 0.000000 31.60679 
1 1 1   28   38    5 f   73.746   32.454  3108.52  3766.37   0.0000   0.0000  3108.52  3766.37  ?   ?    73.746   32.454 0.000000 32.45408 
1 1 1   28   38    6 o   50.492   24.811 -3357.4319  3528.99   0.0000   0.0000 -3357.4319  3528.99  ?   ?    50.492   24.811 0.000000 24.81089 
1 1 1   28   38    7 o   26.219   9.9378  225.186  290.920   0.0000   0.0000  225.186  290.920  ?   ?    26.219   9.9378 0.000000 9.937767 
1 1 1   28   38    8 o   66.626   11.542  1994.36  601.777   0.0000   0.0000  1994.36  601.777  ?   ?    66.626   11.542 0.000000 11.54184 
1 1 1   28   40    0 o   53.254   25.959 -1615.0260  3637.35   0.0000   0.0000 -1615.0260  3637.35  ?   ?    53.254   25.959 0.000000 25.95905 
1 1 1   28   40    1 o   69.190   31.335  3319.29  3787.65   0.0000   0.0000  3319.29  3787.65  ?   ?    69.190   31.335 0.000000 31.33547 
1 1 1   28   40    2 o   63.882   30.437  1695.73  4359.98   0.0000   0.0000  1695.73  4359.98  ?   ?    63.882   30.437 0.000000 30.43655 
1 1 1   28   40    3 f  100.146   39.763 11529.46  4826.69   0.0000   0.0000 11529.46  4826.69  ?   ?   100.146   39.763 0.000000 39.76322 
1 1 1   28   40    4 o   54.611   26.781 -1221.5670  4047.07   0.0000   0.0000 -1221.5670  4047.07  ?   ?    54.611   26.781 0.000000 26.78131 
1 1 1   29    1    0 o  1369.14   66.660 783962.62 74105.88 743799.62 104796.60 824133.12 104806.50  1307.37   99.467  1381.35   94.002 -73.98132 136.8576 
1 1 1   29    1    1 f  516.084   17.785 108350.90  7452.76 108550.00 10532.87 108151.30 10546.74  516.036   25.138  515.081   25.218 0.9552612 35.60677 
1 1 1   29    1    2 o  845.080   28.963 291416.31 19873.70 290392.09 28095.13 292442.00 28116.20  841.428   41.122  844.417   41.007 -2.988708 58.07436 
1 1 1   29    1    3 o  924.399   31.593 348886.19 23713.07 335965.31 33529.07 361816.69 33541.63  903.182   45.871  938.890   43.998 -35.70746 63.56047 
1 1 1   29    1    4 o  131.367   6.4163  7007.77  684.402  7110.43  962.448  6902.75  973.427  132.003   9.0339  130.033   9.2805 1.969757 12.95143 
1 1 1   29    1    5 o  1208.70   41.220 598670.00 40453.74 599739.62 57210.86 597600.62 57209.61  1204.12   58.515  1201.94   58.620 2.189331 82.82745 
1 1 1   29    1    6 o  1093.56   37.424 489723.81 33229.80 492619.41 46997.72 486829.09 46990.34  1092.08   53.001  1085.53   53.312 6.546509 75.17529 
1 1 1   29    1    7 o  1090.31   43.047 489816.41 38109.28 512844.00 65958.02 478276.81 46691.56  1097.53   74.454  1073.06   53.589 24.46460 91.73443 
1 1 1   29    1    8 o  564.953   22.000 130292.90 10091.97 134544.30 12379.41 121869.20 17425.56  573.372   26.590  541.609   39.905 31.76324 47.95308 
1 1 1   29    1    9 o  359.863   12.459 52699.89  3640.49 53174.79  5157.19 52228.20  5139.71  361.058   17.591  357.820   17.690 3.237640 24.94798 
1 1 1   29    1   10 o  511.843   17.190 106915.40  7144.34 108202.40 10111.42 105632.40 10095.85  513.599   24.247  507.407   24.505 6.192047 34.47276 
1 1 1   29    1   11 o  341.311   13.843 47473.09  3836.29 45142.36  4684.23 52220.84  6685.53  332.012   17.437  356.019   23.255 -24.00696 29.06617 
1 1 1   29    1   12 o  164.247   8.8030 11002.64  1169.73 11732.53  2088.99 10669.26  1411.82  168.857   15.406  161.538   10.826 7.319031 18.82952 
1 1 1   29    1   13 o  640.339   22.055 168566.30 11467.06 172428.00 16225.95 164713.20 16207.80  643.711   31.044  627.985   31.891 15.72559 44.50576 
1 1 1   29    1   14 o  157.133   9.2977 10085.16  1180.98 11844.36  2141.38  9316.19  1415.76  169.460   15.743  150.729   11.659 18.73083 19.58973 
1 1 1   29    1   15 o  295.044   13.032 35561.04  3122.05 36697.82  5513.24 35024.41  3787.93  296.939   23.047  291.918   16.042 5.021271 28.08083 
1 1 1   29    1   16 o  227.471   13.968 21288.58  2567.35 21288.58  2567.35   0.0000   0.0000  227.471   13.968  ?   ?  0.000000 13.96780 
1 1 1   29    1   17 o   96.146   12.162  3851.83  928.222  3851.83  928.222   0.0000   0.0000   96.146   12.162  ?   ?  0.000000 12.16200 
1 1 1   29    1   18 o   92.467   10.221  3548.40  754.571  3096.41  1285.90  3785.77  931.881   84.225   19.226   95.091   12.362 -10.86543 22.85745 
1 1 1   29    1   19 o  220.375   11.377 20084.87  2028.88 22063.63  3352.06 18940.86  2548.76  227.793   18.277  212.618   14.857 15.17471 23.55373 
1 1 1   29    1   20 o  219.533   10.359 19892.00  1846.47 19802.25  2626.48 19979.71  2596.39  216.625   15.025  217.732   14.774 -1.107605 21.07170 
1 1 1   29    1   21 o   80.806   11.260  2764.53  718.699  543.506  1032.59  4851.47  1000.94   45.958   18.346  107.312   11.676 -61.35400 21.74640 
1 1 1   29    1   22 o   40.403   14.863  583.800  640.978  506.950  829.615  697.618  1009.62   42.074   16.555   47.061   18.337 -4.986378 24.70410 
1 1 1   29    1   23 o   88.679   11.427  3381.91  803.679  3001.24  1098.56  3820.23  1178.82   80.713   17.284   91.825   16.413 -11.11131 23.83520 
1 1 1   29    1   24 f  100.420   13.270  4491.92  1055.49  4037.91  1387.44  5115.64  1626.21   90.772   19.412  101.587   20.423 -10.81518 28.17699 
1 1 1   29    3    0 o  341.453   17.698 47557.11  4890.03 47154.88  6910.78 47960.46  6920.33  339.172   25.275  342.096   25.089 -2.924072 35.61305 
1 1 1   29    3    1 o  674.438   26.284 185467.70 14393.91 181407.80 17622.49 193605.00 24949.06  666.246   32.576  684.778   45.124 -18.53198 55.65382 
1 1 1   29    3    2 o  1027.43   34.316 431542.31 28628.00 430420.41 40458.96 432667.19 40513.31  1022.51   48.732  1025.19   48.669 -2.683472 68.87276 
1 1 1   29    3    3 o  1690.92  123.726 1264270.00 168691.91   0.0000   0.0000 1264270.00 168691.91  ?   ?   1690.92  123.726 0.000000 123.7257 
1 1 1   29    3    4 o  1302.92   42.988 696081.88 45478.24 673801.31 64311.19 718369.31 64320.70  1275.05   62.118  1317.40   60.131 -42.34143 86.45452 
1 1 1   29    3    5 o  1267.83   42.715 659285.62 43971.89 654057.50 62191.21 664511.62 62180.09  1256.17   60.973  1266.39   60.471 -10.21252 85.87492 
1 1 1   29    3    6 f  575.844   19.617 134959.91  9172.23 143791.41 12984.92 126164.80 12958.12  593.731   26.935  555.223   28.843 38.50763 39.46352 
1 1 1   29    3    7 o  162.786   7.2371 10763.08  956.577 11299.64  1369.05 10251.25  1337.12  166.446   10.179  158.485   10.449 7.960953 14.58762 
1 1 1   29    3    8 o  768.905   25.750 241947.91 16076.37 246711.00 22754.39 237200.80 22716.48  773.428   36.233  758.154   36.902 15.27399 51.71629 
1 1 1   29    3    9 o  306.266   10.911 38152.22  2713.28 38586.51  3855.33 37726.03  3819.24  307.324   15.500  303.865   15.531 3.458954 21.94248 
1 1 1   29    3   10 o  463.710   15.723 87684.30  5920.00 96186.47  8395.76 79277.15  8348.72  484.774   21.330  439.118   23.501 45.65582 31.73682 
1 1 1   29    3   11 o  395.789   20.189 64279.71  6466.44 65987.16  9209.31 62619.19  9081.88  398.916   28.622  388.443   29.004 10.47357 40.74863 
1 1 1   29    3   12 o  278.382   12.285 31570.80  2776.81 31173.62  4937.58 31754.53  3358.20  274.663   22.333  278.573   14.901 -3.910217 26.84781 
1 1 1   29    3   13 o  557.211   27.630 128591.00 12500.92 130258.00 17813.30 126973.40 17547.64  553.670   39.891  546.663   39.807 7.006897 56.35467 
1 1 1   29    3   14 o  118.640   8.8552  5759.88  846.888  6237.22  1099.55  5063.74  1327.85  123.220   11.109  110.269   15.238 12.95121 18.85758 
1 1 1   29    3   15 o  334.001   14.255 45635.75  3866.03 47319.45  4774.51 42429.96  6588.19  339.049   17.402  318.399   25.702 20.64981 31.03926 
1 1 1   29    3   16 o  233.528   9.8320 22251.21  1864.31 21665.82  2643.70 22830.31  2629.44  229.378   14.265  235.587   13.806 -6.209061 19.85210 
1 1 1   29    3   17 o  128.017   8.2477  6714.90  852.750  7174.65  1221.59  6277.94  1190.94  131.787   11.532  123.105   12.070 8.681831 16.69327 
1 1 1   29    3   18 o  104.907   11.190  4573.58  938.433  4511.06  1115.45  4725.01  1736.02  103.618   13.585  103.825   21.307 -0.2072144 25.26942 
1 1 1   29    3   19 o  183.860   11.244 13993.34  1670.53 14144.85  1994.53 13637.27  3057.63  184.106   13.435  176.975   21.735 7.130753 25.55219 
1 1 1   29    3   20 o  199.200   11.160 16474.39  1797.71 18399.18  2909.41 15285.66  2286.42  207.337   17.444  190.201   14.925 17.13608 22.95731 
1 1 1   29    3   21 o   88.626   11.171  3315.33  786.010  2972.75  1128.14  3638.50  1095.74   81.730   17.526   91.499   15.288 -9.768562 23.25675 
1 1 1   29    3   22 o   31.833   13.261  128.556  568.375 -437.1600  743.684  923.084  881.340   29.872   13.666   48.633   17.496 -18.76088 22.20094 
1 1 1   29    3   23 o   30.586   13.186   6.0018  595.334  419.389  720.433 -884.1111  1057.15   38.645   15.356   33.076   15.524 5.568966 21.83621 
1 1 1   29    3   24 o   71.720   13.623  2332.93  764.349  2374.60  1012.52  2277.72  1165.44   70.024   17.777   67.426   19.912 2.597511 26.69251 
1 1 1   29    5    0 o  875.541   61.114 319865.00 43173.76   0.0000   0.0000 319865.00 43173.76  ?   ?   875.541   61.114 0.000000 61.11354 
1 1 1   29    5    1 o  643.495   31.112 169078.50 16255.85 182261.00 23026.55 155981.20 22952.13  665.072   42.869  614.255   46.360 50.81635 63.14287 
1 1 1   29    5    2 o  689.626   23.833 193701.41 13345.47 203491.20 18851.14 183865.41 18895.63  705.814   32.893  669.775   34.866 36.03894 47.93317 
1 1 1   29    5    3 o  1103.52   42.999 499411.59 38527.79 499904.09 66812.14 499166.19 47158.48  1090.13   75.956  1100.45   52.778 -10.32629 92.49205 
1 1 1   29    5    4 o  693.567   23.316 195880.09 13130.76 195675.70 18577.67 196084.09 18561.73  692.157   33.056  692.887   32.993 -0.7298584 46.70341 
1 1 1   29    5    5 o  615.888   23.861 154523.00 11932.45 137609.59 20614.43 163045.41 14633.12  577.164   44.327  632.184   28.507 -55.01965 52.70201 
1 1 1   29    5    6 o  809.873   26.969 267685.31 17734.62 289725.31 25102.29 245721.59 25058.85  840.662   36.775  772.490   40.089 68.17242 54.40160 
1 1 1   29    5    7 o  361.619   12.575 53172.79  3692.32 53721.79  5247.66 52634.51  5196.17  363.196   17.795  359.502   17.801 3.694580 25.16982 
1 1 1   29    5    8 o  151.668   7.0824  9345.23  872.190  9671.47  1256.58  9041.94  1211.57  153.908   10.111  148.794   10.088 5.114105 14.28312 
1 1 1   29    5    9 o  392.174   15.796 62700.80  5029.86 71302.45  8861.60 58612.43  6109.37  415.861   26.380  378.187   19.966 37.67435 33.08421 
1 1 1   29    5   10 o  608.619   29.726 152846.20 14689.79 157938.80 20882.63 147857.59 20668.03  612.355   42.258  591.867   43.307 20.48737 60.50849 
1 1 1   29    5   11 o  511.915   25.359 107812.80 10540.55 108909.10 15033.89 106752.90 14782.47  509.700   36.569  504.716   36.314 4.983704 51.53645 
1 1 1   29    5   12 o  201.743   12.332 16644.48  2010.36 16544.46  2981.53 16727.86  2722.28  200.219   18.551  201.631   16.780 -1.411545 25.01401 
1 1 1   29    5   13 o  274.975   12.373 30825.36  2762.57 31127.11  3420.17 30258.93  4685.89  275.589   15.345  270.477   21.514 5.111938 26.42611 
1 1 1   29    5   14 o  236.943   9.5806 22859.40  1843.22 24208.10  2630.68 21558.77  2583.37  243.135   13.377  229.316   13.941 13.81903 19.32045 
1 1 1   29    5   15 o  202.124   8.9765 16639.02  1473.21 16628.65  2113.85 16648.81  2054.30  201.299   13.002  201.483   12.621 -0.1841125 18.12025 
1 1 1   29    5   16 o   91.575   8.5514  3447.88  628.488  4173.66  878.326  2686.36  899.693  100.475   10.943   79.693   14.435 20.78214 18.11447 
1 1 1   29    5   17 o  145.200   8.3925  8635.97  985.232  9840.21  1426.41  7537.31  1362.45  154.463   11.455  134.836   12.590 19.62694 17.02126 
1 1 1   29    5   18 o  205.829   9.4271 17360.16  1575.52 18720.80  2265.17 16085.01  2192.85  212.418   13.198  196.631   13.823 15.78729 19.11186 
1 1 1   29    5   19 o   15.899   7.9217 -1049.0620  408.222 -311.2184  534.423 -2082.6521  632.524   25.771   11.710   17.987   9.0824 7.783775 14.81961 
1 1 1   29    5   20 o   95.284   12.317  3834.69  930.622  4340.16  1083.05  2408.43  1819.28  101.079   13.536   74.456   25.246 26.62382 28.64559 
1 1 1   29    5   21 o   88.162   13.066  3328.97  907.010  3634.02  1068.56  2542.62  1715.59   91.523   14.891   74.746   24.497 16.77647 28.66807 
1 1 1   29    5   22 o   41.340   14.769  651.698  626.984 -159.5596  764.997  2311.74  1094.31   32.927   14.552   70.897   18.730 -37.96986 23.71818 
1 1 1   29    5   23 o   84.942   12.004  3133.18  804.874  2567.09  1062.29  3896.16  1233.28   74.007   17.878   92.084   17.125 -18.07770 24.75662 
1 1 1   29    5   24 o   70.278   13.396  2241.85  736.521  2343.24  949.380  2088.59  1167.25   69.870   16.915   64.361   20.119 5.508522 26.28472 
1 1 1   29    7    0 o  559.560   39.413 128880.40 17792.87   0.0000   0.0000 128880.40 17792.87  ?   ?   559.560   39.413 0.000000 39.41346 
1 1 1   29    7    1 o  650.011   31.697 172510.70 16729.53 169091.20 23701.67 175905.80 23616.81  639.965   45.918  653.050   44.810 -13.08514 64.15874 
1 1 1   29    7    2 o  542.629   26.498 120008.20 11674.83 129328.60 16550.40 110776.70 16471.30  561.162   36.522  518.661   39.406 42.50110 53.72810 
1 1 1   29    7    3 o  703.951   26.737 201994.50 15282.32 186865.80 26332.81 209677.80 18765.94  672.304   48.565  716.560   32.254 -44.25562 58.29992 
1 1 1   29    7    4 o  151.931   7.4511  9374.44  919.190  9381.12  1515.73  9370.56  1156.02  151.431   12.437  151.591   9.4387 -0.1602631 15.61320 
1 1 1   29    7    5 o  1398.03   52.979 808870.69 60139.37 911651.69 104303.70 757685.62 73606.30  1457.31   88.567  1343.49   67.692 113.8202 111.4737 
1 1 1   29    7    6 o  276.892   11.803 31165.08  2653.65 34406.73  4745.73 29690.46  3200.81  289.883   20.290  269.773   14.668 20.10904 25.03671 
1 1 1   29    7    7 o  913.355   34.998 343648.81 25954.85 403506.50 45112.28 314031.19 31732.93  976.545   57.143  867.847   45.189 108.6982 72.85148 
1 1 1   29    7    8 o  1068.89   51.881 483105.19 45027.62 518948.31 63787.65 447505.91 63570.25  1085.23   72.812  1000.74   78.873 84.49207 107.3430 
1 1 1   29    7    9 o  346.446   18.407 49155.33  5159.39 49155.33  5159.39   0.0000   0.0000  346.446   18.407  ?   ?  0.000000 18.40713 
1 1 1   29    7   10 o   84.214   7.5775  2905.77  512.595  3020.56  641.991  2703.89  851.391   85.673   9.3822   80.380   13.525 5.292961 16.46080 
1 1 1   29    7   11 o  186.760   8.1454 14181.06  1235.20 13906.24  1770.10 14441.90  1724.46  184.411   11.885  188.001   11.350 -3.590240 16.43381 
1 1 1   29    7   12 o  346.172   12.908 48853.69  3628.05 49497.18  5170.19 48229.43  5092.38  347.226   18.404  342.746   18.365 4.479431 25.99955 
1 1 1   29    7   13 o  104.256   7.2843  4440.97  612.758  5030.81  856.438  3822.36  877.070  110.756   9.6189   96.177   11.457 14.57911 14.95923 
1 1 1   29    7   14 o  122.943   7.7815  6173.53  772.787  6674.80  1125.58  5726.55  1062.89  127.497   10.980  117.988   11.230 9.509315 15.70577 
1 1 1   29    7   15 o   97.460   8.0796  3893.46  633.602  3710.17  897.761  4075.36  894.346   94.567   11.959   99.287   11.295 -4.720184 16.44971 
1 1 1   29    7   16 o   96.682   8.3340  3839.22  647.851  3898.81  951.269  3787.67  884.744   96.769   12.391   95.497   11.652 1.271889 17.00906 
1 1 1   29    7   17 o   71.681   9.9300  2142.88  562.428  1980.40  842.941  2273.26  755.079   67.814   15.630   73.204   13.188 -5.390297 20.45035 
1 1 1   29    7   18 o  147.441   8.7649  8931.63  1044.59  9509.42  1501.97  8390.33  1453.76  151.295   12.334  141.941   12.750 9.353882 17.73921 
1 1 1   29    7   19 o  130.580   8.6448  7023.81  911.393  6847.98  1326.06  7181.23  1254.70  127.787   12.959  131.208   11.907 -3.420830 17.59890 
1 1 1   29    7   20 o   38.534   13.960  526.815  562.390 -248.2094  674.828  2288.91  1017.54   30.192   13.485   71.838   17.586 -41.64642 22.16148 
1 1 1   29    7   21 o  173.687   9.8787 12545.54  1387.42 12657.14  2012.11 12444.38  1915.66  172.122   14.533  171.011   13.917 1.111252 20.12181 
1 1 1   29    7   22 o   42.313   14.988  698.606  644.392  992.213  688.094 -1394.9900  1837.43   48.068   15.498   43.450   20.416 4.618549 25.63232 
1 1 1   29    7   23 f   87.865   11.493  3341.56  800.267  4029.09  1067.09  2457.86  1209.78   95.131   14.254   71.122   20.073 24.00937 24.61890 
1 1 1   29    7   24 o   36.934   14.761  413.462  669.252  528.923  851.233  226.563  1083.01   41.041   16.560   40.927   17.714 0.1136627 24.24973 
1 1 1   29    9    0 f  713.645   49.873 210745.20 28717.66   0.0000   0.0000 210745.20 28717.66  ?   ?   713.645   49.873 0.000000 49.87323 
1 1 1   29    9    1 o  833.954   58.158 289240.41 39134.71   0.0000   0.0000 289240.41 39134.71  ?   ?   833.954   58.158 0.000000 58.15796 
1 1 1   29    9    2 o  1203.85   46.677 596032.38 45625.75 621747.88 79165.68 583242.38 55830.75  1211.66   80.933  1186.75   57.940 24.90759 99.53447 
1 1 1   29    9    3 o  679.524   28.241 188413.80 15582.18 170057.09 27127.48 197452.91 19035.83  639.533   52.710  694.886   33.738 -55.35278 62.58287 
1 1 1   29    9    4 o  490.441   21.482 97977.10  8554.51 79167.12 14963.19 107110.10 10426.48  436.718   42.745  512.484   25.056 -75.76642 49.54783 
1 1 1   29    9    5 o  827.599   39.920 282046.00 26825.60 294823.31 38011.45 269368.31 37863.24  838.660   56.144  800.324   58.675 38.33569 81.20901 
1 1 1   29    9    6 o  469.313   21.738 89910.44  8283.81 101153.80 10133.48 67262.15 14382.31  496.701   25.209  399.998   45.068 96.70325 51.63910 
1 1 1   29    9    7 o  189.262   9.4626 14561.62  1454.17 15693.67  1776.26 12260.96  2532.22  196.111   11.201  172.393   18.373 23.71883 21.51862 
1 1 1   29    9    8 o  526.180   24.127 113534.00 10307.95 113534.00 10307.95   0.0000   0.0000  526.180   24.127  ?   ?  0.000000 24.12678 
1 1 1   29    9    9 o  133.380   8.7488  7263.89  942.242  8463.92  1156.59  4895.67  1624.78  143.911   9.9592  107.843   19.262 36.06810 21.68421 
1 1 1   29    9   10 o  404.759   14.354 66798.66  4717.41 67297.12  6701.03 66308.92  6642.21  404.870   20.450  401.885   20.422 2.984131 28.90110 
1 1 1   29    9   11 o  224.740   8.7560 20542.47  1597.81 19810.19  2283.95 21244.40  2236.12  220.100   12.836  228.040   12.120 -7.940475 17.65362 
1 1 1   29    9   12 o  296.137   10.863 35716.48  2612.06 35745.07  3734.22 35689.09  3655.09  295.352   15.627  295.176   15.303 0.1759033 21.87172 
1 1 1   29    9   13 f  101.743   7.4890  4232.56  614.333  4527.18  861.062  3927.12  876.745  104.935   10.236   97.517   11.281 7.418129 15.23294 
1 1 1   29    9   14 o   92.205   8.0129  3485.78  593.938  2888.27  822.282  4137.57  858.818   83.187   12.565  100.174   10.725 -16.98758 16.52036 
1 1 1   29    9   15 o  247.168   10.019 24925.61  2010.71 25789.43  2880.08 24104.23  2808.43  250.395   14.224  242.021   14.355 8.374512 20.20925 
1 1 1   29    9   16 o  137.091   7.9044  7689.22  876.138  7200.62  1251.80  8158.41  1226.68  132.012   11.803  140.768   10.815 -8.755157 16.00839 
1 1 1   29    9   17 o  280.977   11.154 32434.19  2544.73 35580.28  3664.84 29505.10  3536.19  292.310   15.496  265.677   16.474 26.63297 22.61670 
1 1 1   29    9   18 o  262.994   10.887 28479.55  2324.90 31822.28  3353.05 25384.52  3226.43  275.881   15.025  245.695   16.265 30.18614 22.14277 
1 1 1   29    9   19 o   95.076   9.3891  3752.49  715.362  3382.58  937.776  4267.32  1106.34   89.202   13.358  100.203   13.978 -11.00091 19.33512 
1 1 1   29    9   20 o   51.671   12.978  1160.09  543.758  1461.46  653.090  479.118  981.712   57.842   14.046   44.517   17.847 13.32553 22.71136 
1 1 1   29    9   21 o  106.395   9.7544  4734.75  833.292  4347.76  1075.25  5316.67  1318.52  100.576   13.508  110.681   15.063 -10.10530 20.23258 
1 1 1   29    9   22 o   32.522   12.947  264.023  512.979  260.855  591.014  273.698  1032.93   34.111   13.787   42.184   17.745 -8.072651 22.47169 
1 1 1   29    9   23 o   98.072   12.854  4232.75  998.913  4667.79  1086.19  1847.24  2543.48  102.763   13.332   66.088   27.826 36.67436 30.85497 
1 1 1   29   11    0 o  465.203   23.512 88410.82  8852.52   0.0000   0.0000 88410.82  8852.52  ?   ?   465.203   23.512 0.000000 23.51242 
1 1 1   29   11    1 o  585.296   23.379 139605.70 11110.51 146564.41 19313.79 136163.80 13583.06  596.216   40.129  576.717   29.101 19.49902 49.57005 
1 1 1   29   11    2 o  587.733   28.781 141099.59 13734.95 148915.00 19474.29 133364.09 19374.40  600.768   40.154  567.878   42.322 32.88953 58.33914 
1 1 1   29   11    3 o  749.184   36.301 230390.20 22082.24 239326.00 31292.28 221526.20 31166.10  757.896   51.149  728.326   53.066 29.56927 73.70362 
1 1 1   29   11    4 o  283.817   15.433 32877.85  3543.23 37324.93  5076.15 28652.36  4948.07  301.841   20.839  263.922   23.330 37.91870 31.28226 
1 1 1   29   11    5 o  649.384   31.235 173278.00 16469.71 197316.20 23374.86 149579.00 23209.38  688.445   42.017  596.612   48.326 91.83258 64.03773 
1 1 1   29   11    6 o  495.753   20.372 100404.80  8200.63 93050.69 14393.22 103939.50  9978.71  472.243   37.855  503.723   24.397 -31.48029 45.03574 
1 1 1   29   11    7 o  588.906   22.978 142091.00 10987.53 147904.09 13478.47 130575.60 18970.46  599.602   27.685  557.095   42.253 42.50696 50.51484 
1 1 1   29   11    8 o  239.987   10.455 23430.11  2037.31 28420.21  2879.70 18429.71  2882.68  263.789   13.490  211.830   16.900 51.95883 21.62414 
1 1 1   29   11    9 o   50.822   7.1272  1070.22  286.026  739.585  360.776  1629.68  469.298   41.830   10.607   62.588   9.5359 -20.75808 14.26326 
1 1 1   29   11   10 o  316.704   11.383 40841.38  2927.22 40896.19  4156.54 40787.45  4123.09  316.022   16.254  315.618   16.143 0.4035339 22.90783 
1 1 1   29   11   11 o   45.547   9.1871  874.432  328.039  575.719  406.519  1432.03  555.412   37.830   11.881   58.205   12.145 -20.37453 16.98965 
1 1 1   29   11   12 o  175.717   10.058 12613.36  1429.13  9681.76  2730.78 13719.14  1677.15  151.649   22.890  183.135   11.334 -31.48529 25.54235 
1 1 1   29   11   13 o  174.818   8.4312 12437.35  1196.77 13142.97  1695.40 11736.53  1689.61  179.130   11.721  169.139   12.389 9.990646 17.05490 
1 1 1   29   11   14 o  149.007   7.5484  9059.05  910.292  8639.32  1282.97  9484.57  1291.77  145.098   10.971  152.129   10.522 -7.031921 15.20123 
1 1 1   29   11   15 o  468.157   17.098 90527.99  6499.32 92178.06  9251.27 88919.95  9132.73  467.679   24.447  459.227   24.582 8.451477 34.66872 
1 1 1   29   11   16 o  166.859   8.5220 11400.64  1150.74 12466.51  1638.48 10363.14  1616.53  173.875   11.673  158.227   12.689 15.64818 17.24192 
1 1 1   29   11   17 o  148.405   8.4398  9037.54  1012.79  9843.65  1446.37  8262.04  1418.64  154.187   11.639  140.958   12.525 13.22958 17.09815 
1 1 1   29   11   18 o  208.421   9.7610 17856.48  1651.85 19511.63  2364.12 16277.59  2309.00  216.246   13.532  197.026   14.536 19.21980 19.85995 
1 1 1   29   11   19 o   87.577   9.5199  3194.79  666.049  2220.27  844.709  4796.48  1082.94   71.415   15.042  106.602   12.765 -35.18616 19.72862 
1 1 1   29   11   20 o  102.840   9.4634  4406.00  781.354  4194.95  968.714  4798.95  1321.84   99.476   12.252  105.035   16.005 -5.558517 20.15632 
1 1 1   29   11   21 o   72.236   11.222  2233.33  636.846  2162.88  765.398  2391.83  1148.07   70.168   13.926   72.078   19.252 -1.909760 23.76083 
1 1 1   29   11   22 o   16.722   8.1852 -701.8495  372.680 -448.0251  393.774 -2882.4170  1154.16   19.577   9.2754   26.228   13.107 -6.650820 16.05693 
1 1 1   29   11   23 o  108.267   10.431  5041.56  905.619  4713.40  1128.72  5634.56  1517.29  102.486   13.924  109.188   17.722 -6.701317 22.53774 
1 1 1   29   13    0 o   84.144   15.124  2968.62  995.347   0.0000   0.0000  2968.62  995.347  ?   ?    84.144   15.124 0.000000 15.12441 
1 1 1   29   13    1 o  612.507   30.094 153713.80 14966.72 160769.00 21243.08 146759.80 21090.03  622.289   42.293  593.873   44.051 28.41577 61.06704 
1 1 1   29   13    2 o  505.570   20.536 104256.20  8430.00 106953.50 14614.36 102911.20 10319.95  508.499   35.621  501.041   25.450 7.458069 43.77851 
1 1 1   29   13    3 o  475.071   17.692 91986.56  6824.52 109437.30 12061.06 83768.23  8276.95  515.713   28.920  452.806   22.512 62.90741 36.64907 
1 1 1   29   13    4 o  161.925   7.6771 10653.80  1009.37 11832.19  1515.57  9714.46  1353.14  170.214   11.025  154.174   10.879 16.03966 15.48888 
1 1 1   29   13    5 o  343.788   17.174 48216.79  4794.05 53107.52  7023.04 43949.41  6560.23  359.152   24.224  326.426   24.940 32.72684 34.76812 
1 1 1   29   13    6 o  562.627   22.105 129645.00 10098.40 135835.70 17730.68 126672.70 12285.75  569.652   38.561  554.878   27.269 14.77338 47.22818 
1 1 1   29   13    7 f  303.828   12.592 37591.25  3106.50 45066.99  5634.08 34325.74  3723.67  331.115   21.065  289.641   15.894 41.47336 26.38888 
1 1 1   29   13    8 o  398.957   20.734 65368.08  6693.42 66577.52  9612.02 64229.46  9326.30  400.233   29.791  393.184   29.426 7.049011 41.87378 
1 1 1   29   13    9 o   77.938   9.2189  2505.22  572.095  4355.47  1242.71  2007.64  644.445  102.167   15.464   69.241   11.891 32.92558 19.50718 
1 1 1   29   13   10 o  307.564   12.440 38555.69  3106.72 39342.00  4402.23 37775.54  4384.93  309.591   17.585  303.287   17.885 6.303925 25.08222 
1 1 1   29   13   11 o  299.177   11.485 36475.80  2789.92 37060.80  3960.68 35899.65  3930.59  300.563   16.290  295.776   16.431 4.787201 23.13759 
1 1 1   29   13   12 o  146.076   9.4788  8724.55  1118.19 10112.21  2339.15  8313.52  1273.06  155.822   18.873  142.387   11.099 13.43521 21.89467 
1 1 1   29   13   13 o  203.146   8.1804 16798.23  1349.33 15331.88  1903.19 18280.27  1913.34  193.393   12.182  211.386   11.187 -17.99304 16.53981 
1 1 1   29   13   14 o   97.778   7.2048  3912.88  567.980  4024.58  745.903  3758.74  876.237   98.897   9.4019   95.203   11.573 3.694275 14.91103 
1 1 1   29   13   15 o  316.325   11.836 41040.03  3039.96 44039.68  4371.99 38232.27  4229.84  325.695   16.587  303.126   17.257 22.56836 23.93596 
1 1 1   29   13   16 o   58.484   9.2842  1433.84  426.149  1507.36  516.557  1277.18  754.031   59.657   11.072   54.846   15.965 4.811588 19.42845 
1 1 1   29   13   17 o  131.374   8.1794  7089.38  868.176  7316.05  1198.68  6839.29  1259.13  132.795   11.222  128.097   12.255 4.697723 16.61700 
1 1 1   29   13   18 o   27.685   10.548  222.447  328.804  277.140  354.601 -112.9566  878.127   29.559   11.020   36.353   15.842 -6.794125 19.29799 
1 1 1   29   13   19 o  128.923   9.2494  6884.95  961.804  8326.40  1262.73  4893.01  1484.39  141.251   11.099  105.547   17.964 35.70405 21.11649 
1 1 1   29   13   20 o   62.279   9.8325  1645.33  480.717  1831.76  541.756  955.015  1042.47   65.599   10.527   50.985   18.918 14.61401 21.64950 
1 1 1   29   13   21 f   67.907   10.080  1965.19  538.934  1847.32  620.859  2325.51  1085.50   65.125   12.189   70.888   18.619 -5.763519 22.25397 
1 1 1   29   13   22 o   80.619   10.850  2802.16  692.209  2449.74  790.647  3959.01  1432.48   74.075   13.648   90.589   20.009 -16.51380 24.22050 
1 1 1   29   13   23 o   96.554   10.427  4042.89  804.513  4559.35  951.491  2747.73  1506.78  101.765   11.730   71.223   22.931 30.54131 25.75661 
1 1 1   29   15    0 o  268.421   21.697 29644.54  4688.39   0.0000   0.0000 29644.54  4688.39  ?   ?   268.421   21.697 0.000000 21.69692 
1 1 1   29   15    1 o  200.415   18.803 16537.51  3024.09   0.0000   0.0000 16537.51  3024.09  ?   ?   200.415   18.803 0.000000 18.80328 
1 1 1   29   15    2 o  578.170   29.314 137948.59 13716.79 143053.80 19366.37 132809.30 19430.75  584.305   41.081  562.103   42.897 22.20178 59.39526 
1 1 1   29   15    3 o  580.686   22.355 138084.30 10540.19 142889.70 18407.40 135740.20 12856.55  584.385   39.017  574.451   27.563 9.933655 47.77139 
1 1 1   29   15    4 o  397.679   16.837 64540.03  5436.65 61635.85  9700.92 65869.83  6564.38  384.987   31.304  400.795   20.237 -15.80832 37.27588 
1 1 1   29   15    5 o  364.144   16.229 54105.44  4798.52 50712.20  8590.15 55644.54  5785.31  349.042   30.619  368.390   19.410 -19.34732 36.25290 
1 1 1   29   15    6 o  670.883   27.548 185535.70 15006.59 175659.50 26277.68 190315.41 18280.73  639.412   51.039  677.132   33.249 -37.72009 60.91375 
1 1 1   29   15    7 o  206.592   10.926 17420.65  1826.35 12575.70  3483.76 19256.88  2144.70  172.995   25.572  217.098   12.216 -44.10350 28.34038 
1 1 1   29   15    8 o  358.701   19.031 52826.54  5523.02 56182.41  7989.40 49754.93  7643.52  367.937   26.930  345.995   27.432 21.94186 38.44125 
1 1 1   29   15    9 o  191.358   9.7081 14940.72  1503.47 19622.69  2901.65 13222.44  1757.84  218.473   16.478  179.723   12.117 38.75011 20.45360 
1 1 1   29   15   10 o  398.917   16.538 65115.85  5356.63 70234.43  9633.70 62825.10  6444.76  409.984   29.129  390.529   20.395 19.45502 35.55905 
1 1 1   29   15   11 f  387.196   16.533 61405.02  5197.68 61453.05  9395.48 61383.84  6239.41  382.219   30.529  385.853   19.984 -3.634705 36.48759 
1 1 1   29   15   12 o  364.118   15.633 54326.90  4622.00 56633.55  8441.87 53339.43  5523.43  366.830   28.568  359.527   18.988 7.302917 34.30242 
1 1 1   29   15   13 o  173.435   10.568 12322.89  1481.09 10619.77  3002.28 12870.68  1702.70  157.844   24.197  177.050   11.913 -19.20598 26.97073 
1 1 1   29   15   14 o  202.880   8.4090 16789.89  1385.24 16362.32  1979.38 17200.31  1939.28  199.378   12.287  204.562   11.724 -5.183243 16.98305 
1 1 1   29   15   15 o  228.747   9.8947 21429.50  1837.79 22092.46  2624.70 20791.86  2574.08  230.830   14.071  223.853   14.236 6.977188 20.01641 
1 1 1   29   15   16 o  136.848   8.0754  7684.20  893.327  7476.21  1230.25  7916.18  1299.28  134.275   11.391  138.120   11.695 -3.844757 16.32607 
1 1 1   29   15   17 o  217.953   10.425 19569.58  1844.85 21700.84  2639.87 17535.13  2579.21  227.628   14.357  203.906   15.699 23.72142 21.27364 
1 1 1   29   15   18 o  216.439   9.5325 19302.98  1675.25 18712.17  2377.80 19885.28  2360.61  210.914   13.964  217.738   13.418 -6.823578 19.36519 
1 1 1   29   15   19 o   40.833   11.407  715.109  392.789  357.516  434.030  2333.07  923.230   32.877   12.205   72.632   16.079 -39.75483 20.18692 
1 1 1   29   15   20 o   47.489   11.547  983.120  440.960  622.807  485.070  2698.34  1058.34   39.142   13.036   77.283   17.297 -38.14074 21.65923 
1 1 1   29   15   21 o   26.750   11.317   48.700  423.986  200.998  463.123 -739.8618  1053.82   30.270   12.215   33.991   15.803 -3.721539 19.97362 
1 1 1   29   15   22 o   45.072   13.272  912.301  518.441  830.769  561.512  1383.43  1349.78   43.433   14.000   56.082   21.370 -12.64859 25.54741 
1 1 1   29   17    0 o  380.942   20.264 59555.74  6245.44   0.0000   0.0000 59555.74  6245.44  ?   ?   380.942   20.264 0.000000 20.26424 
1 1 1   29   17    1 o  189.847   13.280 14754.32  2034.20   0.0000   0.0000 14754.32  2034.20  ?   ?   189.847   13.280 0.000000 13.27989 
1 1 1   29   17    2 o  953.058   38.680 379725.91 29932.60 350540.41 51906.82 394266.41 36637.92  881.397   73.192  964.718   46.773 -83.32104 86.86018 
1 1 1   29   17    3 o  558.450   23.141 127989.00 10493.02 122323.90 18188.81 130814.90 12846.19  537.917   41.976  563.149   28.094 -25.23157 50.51007 
1 1 1   29   17    4 o  278.750   12.030 31641.26  2722.83 33475.58  5095.44 30908.13  3221.32  284.844   22.207  274.938   14.481 9.905548 26.51094 
1 1 1   29   17    5 o  582.723   22.219 139353.20 10512.87 145564.41 18565.51 136421.59 12754.80  587.819   39.121  574.985   27.320 12.83466 47.71630 
1 1 1   29   17    6 o  239.254   10.229 23296.06  1987.23 29337.87  3827.00 21065.54  2325.30  267.266   17.736  227.015   12.665 40.25148 21.79385 
1 1 1   29   17    7 o  561.176   28.719 130809.80 13042.21 129850.40 18634.19 131731.20 18260.42  552.176   41.874  556.914   40.663 -4.737915 58.36827 
1 1 1   29   17    8 o  405.525   17.659 67331.05  5814.55 63534.62 10496.81 69011.66  6983.95  388.346   33.621  409.300   21.086 -20.95404 39.68601 
1 1 1   29   17    9 o  243.813   11.564 24230.18  2289.27 25612.99  4424.87 23724.77  2675.12  248.412   22.171  240.674   13.746 7.738297 26.08628 
1 1 1   29   17   10 o  544.388   22.509 122342.40  9949.65 124671.80 17695.89 121265.60 12031.56  538.178   40.799  539.108   27.578 -0.9300537 49.24553 
1 1 1   29   17   11 o  372.211   16.076 56805.82  4858.44 58953.35  8914.08 55898.30  5794.77  373.745   29.616  367.889   19.468 5.856079 35.44224 
1 1 1   29   17   12 f  257.411   13.141 27193.43  2737.44 21512.93  5278.36 29283.40  3201.66  223.754   29.793  266.757   14.840 -43.00278 33.28490 
1 1 1   29   17   13 o  102.755   11.428  4374.97  937.352  4661.08  2815.00  4339.29  994.082  103.101   31.063  102.182   12.224 0.9195557 33.38165 
1 1 1   29   17   14 o   26.057   12.017 -459.4124  591.106 -1357.0270  2037.62 -376.9313  617.667   48.736   22.415   27.601   12.560 21.13505 25.69424 
1 1 1   29   17   15 o   92.367   12.340  3579.02  902.376  5864.04  3107.50  3368.59  943.011  112.301   32.330   89.303   13.420 22.99799 35.00478 
1 1 1   29   17   16 o  230.898   12.553 22146.11  2344.69 29135.17  5397.92 20520.77  2603.09  255.649   26.383  221.372   14.563 34.27766 30.13600 
1 1 1   29   17   17 o  129.670   12.251  7042.84  1274.64  7934.91  4074.63  6946.08  1341.99  124.507   37.341  128.507   13.042 -4.000130 39.55265 
1 1 1   29   17   18 o  169.942   9.2506 11948.23  1271.67 12541.16  1729.49 11250.38  1876.27  172.853   12.405  162.773   14.343 10.08020 18.96328 
1 1 1   29   17   19 o   46.201   10.500  922.800  384.941  1148.41  414.476 -493.0991  1038.33   51.702   10.235   35.926   16.324 15.77567 19.26748 
1 1 1   29   17   20 o   90.674   19.268  3816.42  1374.88   0.0000   0.0000  3816.42  1374.88  ?   ?    90.674   19.268 0.000000 19.26832 
1 1 1   29   17   21 o  143.697   9.9886  8754.49  1158.20  8814.03  1513.71  8670.41  1798.81  141.919   13.291  138.287   16.336 3.631790 21.05935 
1 1 1   29   17   22 o  107.983   9.6962  5007.42  841.093  5297.77  997.110  4291.22  1566.05  110.029   11.322   90.709   21.577 19.31999 24.36703 
1 1 1   29   19    0 o  601.013   30.505 150134.41 14837.57   0.0000   0.0000 150134.41 14837.57  ?   ?   601.013   30.505 0.000000 30.50472 
1 1 1   29   19    1 o  273.047   16.252 30557.10  3586.95   0.0000   0.0000 30557.10  3586.95  ?   ?   273.047   16.252 0.000000 16.25240 
1 1 1   29   19    2 o  155.870   10.925  9939.06  1373.95  8961.09  2499.60 10362.46  1644.70  146.236   21.710  158.945   12.854 -12.70946 25.23013 
1 1 1   29   19    3 o  226.366   12.565 20944.74  2300.32 27316.49  4064.63 17942.34  2790.14  257.499   19.587  208.900   16.586 48.59886 25.66619 
1 1 1   29   19    4 o  496.604   21.121 101220.30  8516.55 101306.40 14747.62 101177.20 10431.84  489.920   37.355  494.443   26.076 -4.523071 45.55584 
1 1 1   29   19    5 o  327.785   17.545 44089.09  4652.81 29526.89  8516.53 50284.75  5555.11  261.137   41.558  349.663   19.646 -88.52576 45.96799 
1 1 1   29   19    6 o  117.991   12.760  5742.76  1203.04  5865.14  1874.75  5657.09  1568.59  117.912   20.315  116.367   17.112 1.544746 26.56177 
1 1 1   29   19    7 o  358.485   16.085 52570.51  4682.05 49875.72  8608.03 53702.71  5579.59  344.347   31.124  361.281   19.088 -16.93396 36.51065 
1 1 1   29   19    8 o  313.647   12.945 40151.93  3296.67 49835.34  6261.98 36439.05  3877.51  346.920   22.349  297.939   16.088 48.98093 27.53736 
1 1 1   29   19    9 o  836.288   33.616 295229.81 22826.60 302227.19 40109.61 291877.81 27760.65  809.165   61.509  822.223   41.718 -13.05853 74.32187 
1 1 1   29   19   10 o  171.777   10.987 12086.86  1524.45  5800.25  3321.20 13764.92  1715.89  115.519   33.472  183.272   11.590 -67.75233 35.42154 
1 1 1   29   19   11 o  368.853   16.705 56014.11  5003.03 52772.68  9321.67 57325.62  5929.39  349.598   33.239  371.641   19.720 -22.04309 38.64824 
1 1 1   29   19   12 o  255.216   12.895 26803.52  2663.59 27440.19  5361.85 26594.93  3069.06  252.926   26.502  253.629   14.969 -0.7022247 30.43746 
1 1 1   29   19   13 o   38.944   14.256  508.200  588.695 -870.8811  2141.78  620.903  612.277   52.804   23.771   41.363   14.615 11.44094 27.90389 
1 1 1   29   19   14 o   39.169   14.362  516.468  597.797  632.594  2913.99  511.366  610.788   70.128   29.669   39.294   14.500 30.83399 33.02295 
1 1 1   29   19   15 o  140.676   11.502  8220.62  1302.29 10734.98  3939.82  7912.21  1379.85  150.208   33.188  137.719   12.475 12.48856 35.45486 
1 1 1   29   19   16 o   81.765   14.643  2878.67  936.460  5104.98  3703.15  2726.58  967.920  103.181   35.980   79.250   15.597 23.93011 39.21483 
1 1 1   29   19   17 o   62.271   18.194  1708.09  977.660  6933.24  4026.37  1380.72  1007.82  114.739   37.525   57.187   18.778 57.55231 41.96133 
1 1 1   29   19   18 f  153.333   12.739  9949.13  1571.68 11575.04  4718.54  9746.23  1666.87  142.801   39.407  151.266   13.721 -8.464783 41.72755 
1 1 1   29   19   19 o   46.763   18.161  711.646  987.958  2933.23  5024.58  622.302  1007.63   85.465   37.551   45.914   18.188 39.55115 41.72365 
1 1 1   29   19   20 o   48.262   18.878  809.875  1073.29   0.0000   0.0000  809.875  1073.29  ?   ?    48.262   18.878 0.000000 18.87768 
1 1 1   29   19   21 o   85.363   20.402  3659.59  1394.86   0.0000   0.0000  3659.59  1394.86  ?   ?    85.363   20.402 0.000000 20.40206 
1 1 1   29   21    0 o  560.526   28.917 130797.60 13116.10   0.0000   0.0000 130797.60 13116.10  ?   ?   560.526   28.917 0.000000 28.91701 
1 1 1   29   21    1 o  342.032   19.438 48135.77  5376.03   0.0000   0.0000 48135.77  5376.03  ?   ?   342.032   19.438 0.000000 19.43808 
1 1 1   29   21    2 o  400.189   18.118 65610.41  5887.10 64399.52 10356.22 66188.52  7155.74  391.191   32.910  400.487   22.091 -9.296967 39.63675 
1 1 1   29   21    3 o  488.380   21.138 98062.02  8382.32 92181.63 14628.52 100936.70 10227.99  465.086   39.100  493.415   25.617 -28.32959 46.74476 
1 1 1   29   21    4 o  131.966   40.464  7470.81  4747.68  9916.89  6927.74  5304.63  6519.32  151.900   49.196  124.889   47.114 27.01090 68.11729 
1 1 1   29   21    5 o  594.034   22.534 145505.30 10869.08 152397.00 19421.54 142362.59 13115.26  596.747   40.319  585.334   27.595 11.41290 48.85820 
1 1 1   29   21    6 o  376.699   18.447 58250.97  5642.42 47655.43 10392.34 62679.96  6719.00  332.391   39.264  389.482   21.327 -57.09189 44.68235 
1 1 1   29   21    7 o  291.724   14.293 34798.18  3385.63 32193.66  6486.89 35773.25  3969.11  276.028   29.395  294.955   16.641 -18.92697 33.77878 
1 1 1   29   21    8 o   61.641   11.184  1597.65  539.145  982.622  1583.36  1678.31  573.410   59.710   23.047   63.148   11.611 -3.438309 25.80652 
1 1 1   29   21    9 o  114.127   9.7290  5348.77  892.954  8228.88  2382.86  4878.23  963.138  139.321   21.777  108.762   11.060 30.55836 24.42465 
1 1 1   29   21   10 o  222.383   11.738 20288.58  2111.99 25635.50  4785.08 18994.95  2353.65  246.163   24.255  214.778   13.566 31.38591 27.79134 
1 1 1   29   21   11 o   46.521   14.648  882.451  617.492  1094.98  2645.01  870.200  635.040   71.544   29.077   46.437   14.880 25.10676 32.66324 
1 1 1   29   21   12 o  131.873   11.106  7188.09  1178.09  3275.02  3541.96  7674.84  1249.21   92.833   34.786  136.231   11.398 -43.39867 36.60601 
1 1 1   29   21   13 o   67.320   13.859  1944.02  732.331 -769.1223  2543.05  2189.36  764.727   58.163   26.065   71.583   13.655 -13.41936 29.42502 
1 1 1   29   21   14 o   69.342   16.137  2093.90  891.508 -294.9310  3227.01  2291.28  927.609   67.447   29.843   72.574   16.157 -5.127716 33.93628 
1 1 1   29   21   15 f   29.146   13.411 -520.2200  730.638  9788.32  3529.91 -981.6360  746.811  142.990   31.274   26.150   12.497 116.8403 33.67836 
1 1 1   29   21   16 o  141.834   12.762  8467.38  1453.99 10485.31  4909.00  8273.33  1522.29  137.923   40.900  139.865   13.576 -1.941879 43.09436 
1 1 1   29   21   17 o   26.967   12.986 -1206.1140  841.775  1294.84  4388.00 -1301.6680  857.705   79.670   35.046   26.808   12.959 52.86171 37.36544 
1 1 1   29   21   18 o   79.679   17.110  2867.76  1073.91  2124.96  4395.81  2914.91  1107.47   80.655   35.288   80.177   17.503 0.4779434 39.38995 
1 1 1   29   21   19 o  203.430   15.330 18234.90  2513.50   0.0000   0.0000 18234.90  2513.50  ?   ?   203.430   15.330 0.000000 15.32955 
1 1 1   29   21   20 o   33.034   15.464 -761.7578  1037.39   0.0000   0.0000 -761.7578  1037.39  ?   ?    33.034   15.464 0.000000 15.46408 
1 1 1   29   23    0 f  451.421   24.463 84612.84  8933.23   0.0000   0.0000 84612.84  8933.23  ?   ?   451.421   24.463 0.000000 24.46320 
1 1 1   29   23    1 o  277.290   17.603 31661.20  3942.86   0.0000   0.0000 31661.20  3942.86  ?   ?   277.290   17.603 0.000000 17.60334 
1 1 1   29   23    2 o  341.691   19.988 48195.14  5521.48   0.0000   0.0000 48195.14  5521.48  ?   ?   341.691   19.988 0.000000 19.98849 
1 1 1   29   23    3 o   99.815   14.039  4150.61  1106.34  3078.17  2113.04  4555.63  1298.56   86.297   27.084  104.332   15.825 -18.03551 31.36853 
1 1 1   29   23    4 o  184.797   13.236 14021.24  1972.89 15600.96  3558.73 13320.32  2370.52  192.883   23.188  179.540   16.444 13.34286 28.42627 
1 1 1   29   23    5 o  225.119   14.187 20810.89  2579.91 18199.97  4594.97 22012.87  3117.71  206.967   28.067  231.052   16.732 -24.08594 32.67564 
1 1 1   29   23    6 o  207.124   10.540 17540.75  1766.72 20292.30  3970.65 16861.54  1972.76  220.219   22.523  202.845   12.031 17.37376 25.53497 
1 1 1   29   23    7 o  201.514   11.202 16631.81  1825.62 15114.31  4053.94 17017.85  2044.68  187.980   27.363  203.643   12.425 -15.66347 30.05181 
1 1 1   29   23    8 o   34.982   13.854  271.842  584.560   0.0000   0.0000  271.842  584.560  ?   ?    34.982   13.854 0.000000 13.85433 
1 1 1   29   23    9 o  350.869   13.797 50618.27  3930.61 71867.05  7822.22 43440.61  4546.26  412.608   23.445  323.413   17.376 89.19446 29.18215 
1 1 1   29   23   10 o  170.674   10.745 11984.61  1481.42 17948.54  3815.53 10925.99  1607.53  204.549   23.394  162.599   12.266 41.95041 26.41457 
1 1 1   29   23   11 o  179.102   11.237 13235.55  1625.84 19250.23  4508.68 12336.53  1743.12  208.855   27.235  172.548   12.527 36.30675 29.97781 
1 1 1   29   23   12 o  219.726   12.347 20004.67  2193.87 23181.72  5181.37 19310.67  2421.67  227.106   28.741  215.279   13.929 11.82701 31.93868 
1 1 1   29   23   13 o   27.495   12.541 -384.0795  620.309  427.506  2706.32 -429.0813  637.275   66.061   28.290   27.536   12.617 38.52423 30.97639 
1 1 1   29   23   14 f  293.241   14.885 36197.92  3532.45 42263.84  7922.92 34692.95  3946.40  296.894   33.449  285.448   17.106 11.44608 37.56891 
1 1 1   29   23   15 o  164.814   13.057 11435.70  1733.08  4361.92  5288.23 12286.87  1834.39   99.439   40.843  170.741   13.338 -71.30215 42.96560 
1 1 1   29   23   16 o  106.643   15.343  4936.16  1290.35  276.585  4885.32  5285.61  1337.86   78.346   35.525  110.417   15.336 -32.07077 38.69444 
1 1 1   29   23   17 o   31.531   14.496 -535.5501  851.049  1289.31  4994.09 -590.1288  863.682   79.900   36.102   31.390   14.493 48.51033 38.90282 
1 1 1   29   23   18 o   98.637   16.749  4406.87  1293.47   0.0000   0.0000  4406.87  1293.47  ?   ?    98.637   16.749 0.000000 16.74933 
1 1 1   29   23   19 o   41.474   18.040  127.532  1134.43   0.0000   0.0000  127.532  1134.43  ?   ?    41.474   18.040 0.000000 18.04042 
1 1 1   29   23   20 o   63.340   25.217  2141.66  1945.99   0.0000   0.0000  2141.66  1945.99  ?   ?    63.340   25.217 0.000000 25.21683 
1 1 1   29   25    0 o  205.293   16.357 17406.53  2703.94   0.0000   0.0000 17406.53  2703.94  ?   ?   205.293   16.357 0.000000 16.35700 
1 1 1   29   25    1 o  125.031   15.943  6514.21  1581.69   0.0000   0.0000  6514.21  1581.69  ?   ?   125.031   15.943 0.000000 15.94280 
1 1 1   29   25    2 o   84.420   19.398  3054.53  1301.76   0.0000   0.0000  3054.53  1301.76  ?   ?    84.420   19.398 0.000000 19.39815 
1 1 1   29   25    3 o  153.238   14.114  9696.98  1736.35 10351.56  3332.73  9453.10  2034.25  155.003   27.487  150.727   16.913 4.276001 32.27354 
1 1 1   29   25    4 o  131.901   14.259  7212.12  1502.85  8961.32  2850.55  6538.76  1768.62  144.486   25.215  124.734   17.982 19.75227 30.97026 
1 1 1   29   25    5 o  274.990   15.962 31209.71  3548.67 33581.21  6389.10 30151.72  4267.45  280.471   28.449  269.138   19.664 11.33331 34.58335 
1 1 1   29   25    6 o  179.352   11.957 13227.85  1731.31  9914.26  4442.57 13821.21  1879.94  147.574   37.112  183.198   12.717 -35.62407 39.23041 
1 1 1   29   25    7 o  171.780   9.9657 12103.10  1384.03 20620.36  4272.30 11104.43  1462.92  219.662   24.364  164.323   11.028 55.33920 26.74364 
1 1 1   29   25    8 o  392.402   16.912 63993.99  5388.42 72979.41 10685.50 60929.89  6239.90  405.388   32.742  380.494   20.270 24.89417 38.50887 
1 1 1   29   25    9 o  139.389   10.627  8018.88  1193.66 11461.02  4075.21  7695.85  1248.41  157.663   32.897  136.373   11.378 21.28951 34.80925 
1 1 1   29   25   10 o  289.657   14.629 34951.25  3429.56 37986.95  7594.27 34173.53  3843.85  287.728   33.110  285.334   16.664 2.393707 37.06668 
1 1 1   29   25   11 o   25.642   11.656 -312.0245  530.050  5367.25  2861.39 -513.8311  539.385  106.967   31.090   23.956   11.194 83.01180 33.04361 
1 1 1   29   25   12 o  198.291   12.244 16365.30  1961.78 21011.74  5695.17 15739.75  2089.66  208.536   34.866  194.002   13.347 14.53331 37.33304 
1 1 1   29   25   13 o  169.584   12.273 12023.11  1678.47  7483.35  5557.37 12478.80  1760.70  118.030   43.702  172.629   12.649 -54.59917 45.49563 
1 1 1   29   25   14 o   63.823   16.713  1804.94  876.360   40.250  3907.20  1898.42  899.272   72.452   32.399   65.411   16.833 7.041328 36.51115 
1 1 1   29   25   15 o   63.795   18.561  1827.41  1019.37 -6098.4248  5181.09  2146.57  1039.69   62.985   30.763   68.908   18.281 -5.923092 35.78534 
1 1 1   29   25   16 o   59.633   18.592  1597.46  997.524 -495.7227  4675.59  1697.28  1021.03   71.996   33.410   61.243   18.763 10.75301 38.31835 
1 1 1   29   25   17 o   88.003   19.117  3636.56  1326.91   0.0000   0.0000  3636.56  1326.91  ?   ?    88.003   19.117 0.000000 19.11663 
1 1 1   29   25   18 o   67.289   20.162  2232.57  1188.38   0.0000   0.0000  2232.57  1188.38  ?   ?    67.289   20.162 0.000000 20.16234 
1 1 1   29   25   19 o   60.440   24.055  1825.78  1770.37   0.0000   0.0000  1825.78  1770.37  ?   ?    60.440   24.055 0.000000 24.05526 
1 1 1   29   27    0 o  102.977   19.770  4545.68  1592.91   0.0000   0.0000  4545.68  1592.91  ?   ?   102.977   19.770 0.000000 19.76954 
1 1 1   29   27    1 o  182.872   17.603 13955.61  2581.46   0.0000   0.0000 13955.61  2581.46  ?   ?   182.872   17.603 0.000000 17.60259 
1 1 1   29   27    2 f  152.527   17.743  9757.14  2156.40   0.0000   0.0000  9757.14  2156.40  ?   ?   152.527   17.743 0.000000 17.74340 
1 1 1   29   27    3 o  223.508   18.160 20866.98  3267.25   0.0000   0.0000 20866.98  3267.25  ?   ?   223.508   18.160 0.000000 18.16026 
1 1 1   29   27    4 o  246.239   16.312 25210.08  3242.82 27755.17  6301.26 24293.19  3782.11  250.692   31.662  240.475   19.539 10.21790 37.20572 
1 1 1   29   27    5 o  304.057   20.568 39007.36  5048.16 45253.39  7957.97 34801.48  6530.24  320.212   30.995  281.990   28.930 38.22235 42.39883 
1 1 1   29   27    6 o  312.009   20.873 41274.39  5257.58 48077.75  8325.71 36761.89  6780.61  328.169   31.637  288.504   29.354 39.66504 43.15765 
1 1 1   29   27    7 o  341.095   14.226 48220.90  3940.08 53106.66  8929.57 47039.71  4390.61  342.452   32.503  335.931   16.097 6.521362 36.27079 
1 1 1   29   27    8 o  143.275   10.194  8473.69  1178.20 17238.46  4720.55  7891.42  1216.70  194.058   31.002  138.064   10.943 55.99428 32.87676 
1 1 1   29   27    9 o  184.197   10.642 14016.50  1584.91 26625.69  5315.36 12786.04  1660.44  243.730   27.329  175.574   11.715 68.15547 29.73424 
1 1 1   29   27   10 o  196.450   11.198 15994.77  1778.82 27859.45  5219.93 14435.93  1892.07  249.168   26.193  186.092   12.596 63.07610 29.06432 
1 1 1   29   27   11 f  152.998   11.218  9741.90  1383.90 23542.33  5383.60  8765.47  1432.02  223.786   30.416  144.723   12.303 79.06264 32.81001 
1 1 1   29   27   12 o  212.761   12.877 18988.76  2214.17 16831.65  6272.41 19295.81  2366.52  172.057   44.547  214.036   13.689 -41.97903 46.60323 
1 1 1   29   27   13 o   30.178   13.451 -222.0457  667.639 -1592.4800  4282.81 -187.9132  675.902   68.562   31.871   30.742   13.628 37.82053 34.66193 
1 1 1   29   27   14 o  121.613   12.910  6307.24  1255.34  7724.76  6475.29  6251.88  1279.62  109.981   45.187  120.922   13.250 -10.94053 47.08923 
1 1 1   29   27   15 o   42.594   17.630  355.523  995.363   0.0000   0.0000  355.523  995.363  ?   ?    42.594   17.630 0.000000 17.62987 
1 1 1   29   27   16 o   74.287   18.704  2608.37  1127.51   0.0000   0.0000  2608.37  1127.51  ?   ?    74.287   18.704 0.000000 18.70443 
1 1 1   29   27   17 o   52.745   20.465  1132.24  1253.59   0.0000   0.0000  1132.24  1253.59  ?   ?    52.745   20.465 0.000000 20.46536 
1 1 1   29   27   18 o   27.177   13.503 -2394.3101  1153.19   0.0000   0.0000 -2394.3101  1153.19  ?   ?    27.177   13.503 0.000000 13.50332 
1 1 1   29   29    0 o   97.034   22.177  4152.95  1709.13   0.0000   0.0000  4152.95  1709.13  ?   ?    97.034   22.177 0.000000 22.17683 
1 1 1   29   29    1 o  297.838   21.076 37760.56  5063.94   0.0000   0.0000 37760.56  5063.94  ?   ?   297.838   21.076 0.000000 21.07583 
1 1 1   29   29    2 o  150.512   20.148  9723.01  2400.58   0.0000   0.0000  9723.01  2400.58  ?   ?   150.512   20.148 0.000000 20.14845 
1 1 1   29   29    3 o   75.339   22.653  2467.70  1498.25   0.0000   0.0000  2467.70  1498.25  ?   ?    75.339   22.653 0.000000 22.65350 
1 1 1   29   29    4 o   46.191   19.292  243.311  1207.37  6013.73  3833.22 -392.2209  1272.12  112.964   36.595   41.864   18.620 71.10056 41.06007 
1 1 1   29   29    5 o   66.629   22.589  1816.89  1456.50  2483.26  3320.66  1658.15  1620.72   84.716   33.186   65.909   23.725 18.80642 40.79434 
1 1 1   29   29    6 o  171.777   18.518 12622.32  2541.99 11949.81  5473.96 12807.22  2870.24  151.872   42.640  171.825   21.011 -19.95264 47.53558 
1 1 1   29   29    7 o  155.716   10.781 10045.49  1354.73  9060.97  5260.23 10115.43  1402.02  131.462   42.886  156.157   11.130 -24.69505 44.30725 
1 1 1   29   29    8 o   23.792   9.5842  106.441  284.600 -5535.2070  4383.53  130.322  285.202   60.277   29.176   24.341   9.6653 35.93619 30.73525 
1 1 1   29   29    9 o  187.581   11.861 14666.11  1797.29 24171.45  6551.63 13892.57  1868.98  218.008   38.415  182.196   12.713 35.81290 40.46421 
1 1 1   29   29   10 o  135.422   11.296  7665.44  1230.76 11135.70  5287.55  7466.65  1265.52  140.424   42.632  133.469   11.799 6.955231 44.23476 
1 1 1   29   29   11 o   38.957   14.312  529.126  594.039 -1212.8650  5606.52  548.904  597.402   78.490   36.478   39.364   14.369 39.12589 39.20639 
1 1 1   29   29   12 o  141.216   12.071  8422.28  1370.77 26093.02  6860.31  7687.45  1398.98  215.091   40.773  134.471   12.974 80.62071 42.78759 
1 1 1   29   29   13 o  114.345   13.061  5611.44  1190.93 10961.99  7076.94  5455.50  1208.16  119.683   47.941  112.528   13.492 7.155533 49.80290 
1 1 1   29   29   14 o   65.420   18.226  1984.96  1004.16   0.0000   0.0000  1984.96  1004.16  ?   ?    65.420   18.226 0.000000 18.22607 
1 1 1   29   29   15 o  128.260   15.325  7361.39  1564.34   0.0000   0.0000  7361.39  1564.34  ?   ?   128.260   15.325 0.000000 15.32453 
1 1 1   29   29   16 f   88.426   20.067  3891.78  1407.79   0.0000   0.0000  3891.78  1407.79  ?   ?    88.426   20.067 0.000000 20.06714 
1 1 1   29   31    0 o  270.144   21.500 31679.13  4676.85   0.0000   0.0000 31679.13  4676.85  ?   ?   270.144   21.500 0.000000 21.49951 
1 1 1   29   31    1 o  225.220   20.880 21985.35  3774.98   0.0000   0.0000 21985.35  3774.98  ?   ?   225.220   20.880 0.000000 20.88031 
1 1 1   29   31    2 o  100.685   25.112  4640.25  2046.02   0.0000   0.0000  4640.25  2046.02  ?   ?   100.685   25.112 0.000000 25.11152 
1 1 1   29   31    3 o   72.217   25.085  2174.11  1799.20   0.0000   0.0000  2174.11  1799.20  ?   ?    72.217   25.085 0.000000 25.08482 
1 1 1   29   31    4 o   84.947   28.911  3212.94  2386.04   0.0000   0.0000  3212.94  2386.04  ?   ?    84.947   28.911 0.000000 28.91133 
1 1 1   29   31    5 o  184.512   20.500 14872.64  3019.40 11171.54  6818.86 15775.31  3367.54  137.984   48.770  188.833   22.400 -50.84848 53.66796 
1 1 1   29   31    6 o  103.574   26.787  5045.49  2269.54  7959.84  5506.42  4449.09  2490.97  120.752   43.693   96.696   29.240 24.05600 52.57403 
1 1 1   29   31    7 o  331.514   12.933 45943.15  3481.20 69777.07  9765.09 42473.14  3726.00  381.019   31.856  317.615   14.448 63.40408 34.97939 
1 1 1   29   31    8 o   93.609   10.443  3673.89  780.191  9899.82  5837.36  3560.65  787.254  128.514   45.153   92.055   10.734 36.45864 46.41103 
1 1 1   29   31    9 o   42.696   12.906  774.457  485.360 -1660.9790  6054.36  790.210  486.928   79.197   37.164   43.067   12.907 36.13013 39.34175 
1 1 1   29   31   10 o  158.550   11.663 10582.54  1490.88 29065.18  6899.45  9677.25  1526.95  230.674   38.171  151.155   12.555 79.51855 40.18312 
1 1 1   29   31   11 o  158.304   12.889 10683.31  1642.34 14060.86  8472.72 10551.44  1674.10  127.281   51.921  157.110   13.247 -29.82965 53.58382 
1 1 1   29   31   12 f   85.778   15.141  3271.75  1016.02   0.0000   0.0000  3271.75  1016.02  ?   ?    85.778   15.141 0.000000 15.14118 
1 1 1   29   31   13 o   61.870   16.628  1769.97  853.279   0.0000   0.0000  1769.97  853.279  ?   ?    61.870   16.628 0.000000 16.62818 
1 1 1   29   31   14 o   70.354   19.912  2442.64  1188.72   0.0000   0.0000  2442.64  1188.72  ?   ?    70.354   19.912 0.000000 19.91183 
1 1 1   29   31   15 o   79.630   19.664  3204.99  1263.89   0.0000   0.0000  3204.99  1263.89  ?   ?    79.630   19.664 0.000000 19.66446 
1 1 1   29   33    0 o   46.049   20.418 -294.1073  1518.13   0.0000   0.0000 -294.1073  1518.13  ?   ?    46.049   20.418 0.000000 20.41780 
1 1 1   29   33    1 f   79.786   27.841  2844.95  2217.53   0.0000   0.0000  2844.95  2217.53  ?   ?    79.786   27.841 0.000000 27.84114 
1 1 1   29   33    2 o  149.590   26.972 10508.98  3155.55   0.0000   0.0000 10508.98  3155.55  ?   ?   149.590   26.972 0.000000 26.97188 
1 1 1   29   33    3 o  109.601   31.169  5985.98  2905.56   0.0000   0.0000  5985.98  2905.56  ?   ?   109.601   31.169 0.000000 31.16938 
1 1 1   29   33    4 o   89.668   29.881  3860.56  2548.63   0.0000   0.0000  3860.56  2548.63  ?   ?    89.668   29.881 0.000000 29.88105 
1 1 1   29   33    5 o  141.686   27.695  9634.09  3071.97   0.0000   0.0000  9634.09  3071.97  ?   ?   141.686   27.695 0.000000 27.69522 
1 1 1   29   33    6 o  160.604   24.223 11970.19  3060.64 13756.39  7173.89 11572.72  3384.08  140.400   49.980  154.794   27.953 -14.39363 57.26621 
1 1 1   29   33    7 o  146.792   11.122  9048.92  1315.73 18353.55  6775.46  8684.29  1341.27  167.748   47.560  143.577   11.604 24.17116 48.95479 
1 1 1   29   33    8 o  114.119   10.935  5493.62  1000.84 14377.28  6670.35  5289.01  1012.30  141.165   48.338  111.812   11.306 29.35265 49.64273 
1 1 1   29   33    9 o   71.421   11.997  2206.21  671.055  5876.69  7748.32  2178.47  673.586   98.840   44.786   70.914   12.135 27.92590 46.40081 
1 1 1   29   33   10 o  104.459   11.651  4670.76  971.365   0.0000   0.0000  4670.76  971.365  ?   ?   104.459   11.651 0.000000 11.65096 
1 1 1   29   33   11 o   37.081   14.482  419.241  630.858   0.0000   0.0000  419.241  630.858  ?   ?    37.081   14.482 0.000000 14.48164 
1 1 1   29   33   12 o   44.906   17.064  763.023  859.163   0.0000   0.0000  763.023  859.163  ?   ?    44.906   17.064 0.000000 17.06426 
1 1 1   29   33   13 o   60.644   18.993  1816.60  1039.75   0.0000   0.0000  1816.60  1039.75  ?   ?    60.644   18.993 0.000000 18.99306 
1 1 1   29   35    0 o  122.478   29.488  7618.90  2897.39   0.0000   0.0000  7618.90  2897.39  ?   ?   122.478   29.488 0.000000 29.48836 
1 1 1   29   35    1 o  176.420   27.090 15086.90  3756.50   0.0000   0.0000 15086.90  3756.50  ?   ?   176.420   27.090 0.000000 27.08977 
1 1 1   29   35    2 o  182.992   27.825 16385.13  4004.03   0.0000   0.0000 16385.13  4004.03  ?   ?   182.992   27.825 0.000000 27.82460 
1 1 1   29   35    3 o  122.143   32.436  7964.68  3270.97   0.0000   0.0000  7964.68  3270.97  ?   ?   122.143   32.436 0.000000 32.43586 
1 1 1   29   35    4 o  132.919   33.251  9560.61  3579.72   0.0000   0.0000  9560.61  3579.72  ?   ?   132.919   33.251 0.000000 33.25148 
1 1 1   29   35    5 o  147.343   31.741 11501.41  3685.31   0.0000   0.0000 11501.41  3685.31  ?   ?   147.343   31.741 0.000000 31.74095 
1 1 1   29   35    6 o   74.382   29.025  2513.86  2532.58  8321.43  7670.23  1803.25  2683.05  104.416   46.115   69.901   28.940 34.51501 54.44378 
1 1 1   29   35    7 o   65.421   10.920  1847.24  559.597   0.0000   0.0000  1847.24  559.597  ?   ?    65.421   10.920 0.000000 10.91951 
1 1 1   29   35    8 o   40.848   11.545  729.957  399.896   0.0000   0.0000  729.957  399.896  ?   ?    40.848   11.545 0.000000 11.54494 
1 1 1   29   35    9 o   60.088   12.539  1607.80  591.980   0.0000   0.0000  1607.80  591.980  ?   ?    60.088   12.539 0.000000 12.53874 
1 1 1   29   35   10 o   89.455   12.627  3537.78  891.671   0.0000   0.0000  3537.78  891.671  ?   ?    89.455   12.627 0.000000 12.62728 
1 1 1   29   35   11 o  122.385   13.472  6720.27  1316.62   0.0000   0.0000  6720.27  1316.62  ?   ?   122.385   13.472 0.000000 13.47246 
1 1 1   29   35   12 o   54.370   18.437  1465.90  970.343   0.0000   0.0000  1465.90  970.343  ?   ?    54.370   18.437 0.000000 18.43740 
1 1 1   29   37    0 o   92.793   33.774  5150.32  3297.18   0.0000   0.0000  5150.32  3297.18  ?   ?    92.793   33.774 0.000000 33.77410 
1 1 1   29   37    1 o  107.473   34.089  6986.60  3339.59   0.0000   0.0000  6986.60  3339.59  ?   ?   107.473   34.089 0.000000 34.08941 
1 1 1   29   37    2 o   92.891   34.959  5330.85  3584.70   0.0000   0.0000  5330.85  3584.70  ?   ?    92.891   34.959 0.000000 34.95879 
1 1 1   29   37    3 o  139.260   36.837 12164.89  4229.56   0.0000   0.0000 12164.89  4229.56  ?   ?   139.260   36.837 0.000000 36.83727 
1 1 1   29   37    4 o   77.953   32.563  3177.86  3440.73   0.0000   0.0000  3177.86  3440.73  ?   ?    77.953   32.563 0.000000 32.56343 
1 1 1   29   37    5 o   83.519   32.539  4211.38  3178.98   0.0000   0.0000  4211.38  3178.98  ?   ?    83.519   32.539 0.000000 32.53856 
1 1 1   29   37    6 o   78.320   33.300  3636.29  3701.06   0.0000   0.0000  3636.29  3701.06  ?   ?    78.320   33.300 0.000000 33.29977 
1 1 1   29   37    7 f   62.983   11.378  1752.32  560.466   0.0000   0.0000  1752.32  560.466  ?   ?    62.983   11.378 0.000000 11.37821 
1 1 1   29   37    8 o  126.166   11.203  6931.66  1135.68   0.0000   0.0000  6931.66  1135.68  ?   ?   126.166   11.203 0.000000 11.20261 
1 1 1   29   37    9 o   61.320   13.384  1739.07  647.662   0.0000   0.0000  1739.07  647.662  ?   ?    61.320   13.384 0.000000 13.38367 
1 1 1   29   39    0 o   91.488   36.564  7007.25  4106.58   0.0000   0.0000  7007.25  4106.58  ?   ?    91.488   36.564 0.000000 36.56423 
1 1 1   29   39    1 o  146.854   41.000 17255.30  5075.83   0.0000   0.0000 17255.30  5075.83  ?   ?   146.854   41.000 0.000000 41.00007 
1 1 1   29   39    2 o   74.717   32.881  3733.14  3866.08   0.0000   0.0000  3733.14  3866.08  ?   ?    74.717   32.881 0.000000 32.88114 
1 1 1   29   39    3 o   66.912   30.170  2175.78  3466.61   0.0000   0.0000  2175.78  3466.61  ?   ?    66.912   30.170 0.000000 30.17015 
1 1 1   29   39    4 o   56.961   27.380 -742.1924  3701.00   0.0000   0.0000 -742.1924  3701.00  ?   ?    56.961   27.380 0.000000 27.37992 
1 1 1   29   39    5 o   47.724   23.624 -3623.9341  3406.58   0.0000   0.0000 -3623.9341  3406.58  ?   ?    47.724   23.624 0.000000 23.62364 
1 1 1   29   39    6 o   60.301   29.062  589.393  4235.05   0.0000   0.0000  589.393  4235.05  ?   ?    60.301   29.062 0.000000 29.06154 
1 1 1   30    0    0 f  1242.55   87.533 651875.81 87306.05   0.0000   0.0000 651875.81 87306.05  1242.55   87.533  1242.55   87.533 0.000000 0.000000 
1 1 1   30    0    1 o  895.045   42.938 329414.31 31041.59 358553.31 43960.53 300436.81 43838.59  929.120   58.811  847.387   64.577 0.000000 0.000000 
1 1 1   30    0    2 o  1093.69   53.287 493347.91 47065.04 471573.69 66609.38 515057.69 66510.77  1059.30   78.431  1109.51   74.603 0.000000 0.000000 
1 1 1   30    0    3 o  255.249   14.431 26719.75  2968.91 20759.10  4264.99 32323.58  4135.37  222.005   24.413  280.239   18.354 0.000000 0.000000 
1 1 1   30    0    4 o  789.733   37.632 255980.20 24006.35 276516.00 34031.32 235639.20 33869.48  817.232   51.762  752.213   56.174 0.000000 0.000000 
1 1 1   30    0    6 o  870.636   42.610 312003.69 29957.79 300081.91 42447.58 323834.91 42286.30  846.941   62.508  881.421   59.714 0.000000 0.000000 
1 1 1   30    0    7 o  561.159   27.147 129211.50 12303.36 138221.41 17481.05 120367.60 17319.24  577.829   37.625  537.930   40.167 0.000000 0.000000 
1 1 1   30    0    8 o  119.474   9.2336  5901.62  883.430  6077.16  1377.11  5778.86  1151.63  119.603   14.788  117.318   12.407 0.000000 0.000000 
1 1 1   30    0    9 o  469.969   22.314 90690.10  8471.10 111176.10 12063.36 70761.14 11898.23  518.925   28.834  410.295   36.372 0.000000 0.000000 
1 1 1   30    0   10 o  431.042   21.041 76323.58  7324.19 88042.34 10440.61 64968.65 10277.25  461.217   28.119  393.865   32.652 0.000000 0.000000 
1 1 1   30    0   11 o  219.485   12.913 19799.20  2283.03 17676.16  3312.34 21720.54  3151.08  205.203   20.338  228.994   17.169 0.000000 0.000000 
1 1 1   30    0   12 o  172.495   11.439 12260.24  1585.98 10689.05  2336.03 13603.71  2160.11  158.637   18.836  180.953   14.936 0.000000 0.000000 
1 1 1   30    0   13 o  596.014   30.237 147465.80 14547.00 136216.50 20668.83 158507.91 20477.64  564.493   45.787  612.230   41.635 0.000000 0.000000 
1 1 1   30    0   14 o  270.421   22.280 30564.28  4815.63 30564.28  4815.63   0.0000   0.0000  270.421   22.280  270.421   22.280 0.000000 0.000000 
1 1 1   30    0   15 f   27.520   18.180 -233.3098  1052.85 -233.3098  1052.85   0.0000   0.0000   27.520   18.180   27.520   18.180 0.000000 0.000000 
1 1 1   30    0   17 o  308.112   24.386 40355.37  6012.83   0.0000   0.0000 40355.37  6012.83  308.112   24.386  308.112   24.386 0.000000 0.000000 
1 1 1   30    0   18 o  130.408   13.057  7183.55  1350.75  6832.36  2136.08  7417.55  1743.62  121.234   24.496  130.744   17.262 0.000000 0.000000 
1 1 1   30    0   19 o   95.353   14.602  3998.61  1051.76  3752.31  1871.81  4112.25  1271.46   80.692   30.485   94.628   18.596 0.000000 0.000000 
1 1 1   30    0   20 o   84.583   18.526  3369.18  1113.97  3830.27  1967.22  3151.54  1351.55   80.102   31.518   76.900   24.562 0.000000 0.000000 
1 1 1   30    0   21 o  213.813   17.190 19624.22  2939.97  6191.28  4654.23 28542.84  3792.37   87.639   47.200  257.692   18.338 0.000000 0.000000 
1 1 1   30    0   22 o   75.317   21.341  2929.01  1130.44  3422.05  2054.60  2714.97  1353.77   70.900   32.580   67.446   26.048 0.000000 0.000000 
1 1 1   30    0   23 o   40.211   21.457  1071.23  953.483  2954.82  2507.30  752.784  1030.94   60.994   34.013   35.810   21.019 0.000000 0.000000 
1 1 1   30    0   24 f   34.897   20.544  758.477  989.948   0.0000   0.0000  758.477  989.948   34.897   20.544   34.897   20.544 0.000000 0.000000 
1 1 1   30    2    0 o  1184.29   57.313 581422.81 55112.02 581439.38 77933.51 581406.31 77946.82  1168.83   82.650  1168.79   82.668 0.4492188E-01 116.8974 
1 1 1   30    2    1 o  1118.73   37.588 512523.69 34143.43 511659.00 48268.85 513389.69 48303.36  1112.91   53.416  1114.80   53.363 -1.899780 75.50411 
1 1 1   30    2    2 o  873.636   29.345 311405.59 20816.45 315188.69 29420.19 307612.81 29457.67  876.795   41.325  866.077   41.889 10.71796 58.84253 
1 1 1   30    2    3 o  859.743   29.242 301496.31 20413.03 304086.81 28855.80 298901.31 28880.99  861.436   41.255  853.983   41.651 7.452759 58.62370 
1 1 1   30    2    4 o  146.408   6.8645  8704.56  816.035  8643.93  1144.57  8767.24  1163.76  145.552   9.7409  146.585   9.8347 -1.032272 13.84223 
1 1 1   30    2    5 o  563.811   19.292 129330.00  8831.70 131031.90 12491.38 127629.00 12488.46  566.919   27.136  559.478   27.491 7.440796 38.62801 
1 1 1   30    2    6 o  1168.24   39.082 559762.88 37071.89 592382.00 52434.72 527161.62 52420.44  1196.30   53.981  1125.69   57.544 70.60901 78.90032 
1 1 1   30    2    7 o  451.783   18.494 83121.96  6784.04 96824.49 11704.80 76190.34  8324.94  485.503   29.836  431.443   23.857 54.06000 38.20125 
1 1 1   30    2    8 o  192.236   9.0328 15018.28  1409.92 15624.11  1747.76 13889.36  2385.83  195.714   11.043  183.964   16.135 11.75026 19.55254 
1 1 1   30    2    9 o  445.739   14.934 80951.19  5404.89 83317.60  7656.72 78600.84  7630.70  451.436   20.889  438.391   21.437 13.04568 29.93119 
1 1 1   30    2   10 o  555.730   19.144 126210.80  8638.29 130480.10 12231.36 121962.40 12201.45  563.294   26.742  543.662   27.733 19.63202 38.52604 
1 1 1   30    2   11 o  243.917   11.112 24214.34  2200.77 23167.70  2687.53 26344.80  3834.35  238.010   13.968  253.155   18.788 -15.14432 23.41112 
1 1 1   30    2   12 f  570.632   22.746 133770.59 10538.96 139305.20 18361.45 131051.40 12870.04  574.273   39.620  563.043   28.151 11.22919 48.60301 
1 1 1   30    2   13 o  799.670   32.070 266704.09 20823.34 268520.09 36181.80 265804.69 25463.00  778.046   57.683  792.849   39.553 -14.80298 69.94154 
1 1 1   30    2   14 o  203.255   10.118 16825.20  1669.76 16988.57  2084.22 16532.43  2790.04  203.670   12.666  200.139   17.340 3.530457 21.47336 
1 1 1   30    2   15 o  207.568   10.534 17610.17  1769.55 17048.07  2190.39 18666.36  3002.50  203.808   13.309  212.482   17.560 -8.674133 22.03409 
1 1 1   30    2   16 o  259.426   12.322 27543.12  2595.51 27339.49  3156.34 27968.39  4561.31  257.508   15.163  258.333   21.954 -0.8249817 26.68090 
1 1 1   30    2   17 o  219.602   11.475 19829.13  2039.05 19641.56  2469.60 20230.90  3614.29  217.878   14.034  218.820   20.584 -0.9418945 24.91319 
1 1 1   30    2   18 o  131.624   9.5892  7135.75  1017.79  5527.99  1611.77  8202.06  1312.61  113.555   18.088  140.723   11.591 -27.16812 21.48264 
1 1 1   30    2   19 f   75.555   12.225  2418.17  724.356  3350.21  1169.84  1838.63  922.463   87.879   17.010   64.925   17.217 22.95392 24.20260 
1 1 1   30    2   20 o  151.809   9.6666  9531.43  1185.35 10484.29  1692.42  8613.95  1660.70  157.981   13.318  142.628   14.543 15.35371 19.71994 
1 1 1   30    2   21 o  155.197   9.6118  9995.20  1205.27 10697.20  1735.06  9340.56  1675.52  158.902   13.578  148.174   14.096 10.72766 19.57207 
1 1 1   30    2   22 o   87.999   11.160  3291.56  779.470  4623.90  1035.85  1552.26  1183.53  103.970   12.522   59.749   20.362 44.22073 23.90405 
1 1 1   30    2   23 f   86.768   11.694  3251.96  802.856  3581.97  1110.41  2890.46  1162.18   89.001   15.952   78.409   18.545 10.59192 24.46171 
1 1 1   30    2   24 o  123.408   12.677  6721.25  1252.26  5993.35  1638.65  7743.13  1941.55  111.470   18.772  126.070   19.604 -14.60027 27.14206 
1 1 1   30    4    0 o  579.868   40.735 138566.41 19057.67   0.0000   0.0000 138566.41 19057.67  ?   ?   579.868   40.735 0.000000 40.73494 
1 1 1   30    4    1 o  956.674   36.348 374459.41 28234.62 378527.81 34564.96 366301.19 48946.96  960.047   44.341  936.291   64.782 23.75690 78.50370 
1 1 1   30    4    2 o  923.519   31.777 348225.69 23828.44 348112.69 33665.08 348339.09 33732.01  920.751   45.030  921.033   45.105 -0.2818604 63.73521 
1 1 1   30    4    3 o  1230.05   48.038 622018.81 47977.95 647046.88 83160.68 609531.88 58739.43  1236.70   83.301  1213.56   59.611 23.14124 102.4334 
1 1 1   30    4    4 o  334.475   12.103 45455.52  3286.83 46892.56  4645.94 44015.56  4650.62  339.592   16.849  328.525   17.497 11.06653 24.29096 
1 1 1   30    4    5 o  709.375   24.302 205022.59 13997.47 214782.20 19804.94 195281.70 19785.90  724.886   33.648  690.057   35.432 34.82947 48.86381 
1 1 1   30    4    6 o  727.471   28.387 216118.70 16767.89 201309.70 28992.52 223561.70 20554.25  695.597   51.702  738.905   34.259 -43.30743 62.02218 
1 1 1   30    4    7 o  1244.36   41.839 639671.88 42272.79 682481.88 59804.36 596923.69 59761.16  1275.41   57.749  1188.33   62.152 87.07642 84.84008 
1 1 1   30    4    8 o  598.470   20.733 146258.20 10074.88 156076.30 14273.00 136508.50 14223.17  616.641   28.507  575.449   30.550 41.19202 41.78424 
1 1 1   30    4    9 o  385.287   15.315 60502.84  4791.11 74719.20  8438.89 53740.89  5820.06  426.191   24.489  362.102   19.871 64.08887 31.53684 
1 1 1   30    4   10 o  302.044   12.905 37152.08  3164.90 38452.64  5616.31 36546.91  3831.13  305.466   22.808  298.928   15.841 6.537598 27.76958 
1 1 1   30    4   11 o  367.390   18.639 55331.18  5541.90 58881.82  7969.50 52006.51  7711.72  377.296   26.176  354.257   27.013 23.03857 37.61536 
1 1 1   30    4   12 o  279.189   15.089 31906.60  3407.88 33701.59  4972.78 30317.09  4679.52  285.761   21.591  270.980   21.443 14.78088 30.43001 
1 1 1   30    4   13 o  420.735   17.105 72439.63  5843.35 74244.34  7191.79 68933.84 10023.63  425.131   20.834  405.832   30.645 19.29852 37.05611 
1 1 1   30    4   14 o  474.483   16.792 92219.02  6469.54 97231.90  9181.36 87275.53  9117.59  485.219   23.304  458.657   24.572 26.56247 33.86511 
1 1 1   30    4   15 f  222.456   9.6129 20164.36  1736.35 23115.60  2495.74 17395.82  2417.26  237.474   12.993  205.632   14.572 31.84212 19.52301 
1 1 1   30    4   16 o  206.200   9.1791 17343.33  1536.84 18598.07  2194.30 16135.23  2153.13  212.691   12.765  197.908   13.479 14.78383 18.56432 
1 1 1   30    4   17 o  132.171   8.3399  7159.65  890.437  8113.47  1261.75  6213.31  1256.80  140.233   11.174  122.255   12.853 17.97830 17.03117 
1 1 1   30    4   18 o  192.826   10.959 15332.22  1708.78 17147.53  2083.58 11603.08  2986.34  203.439   12.677  163.187   23.190 40.25174 26.42892 
1 1 1   30    4   19 o   67.052   13.536  1932.28  711.564  1601.66  801.856  3157.33  1543.50   60.708   16.030   83.990   22.270 -23.28160 27.43971 
1 1 1   30    4   20 o  210.894   11.532 18498.24  1967.26 21702.31  3182.20 16516.19  2502.84  225.055   17.553  197.199   15.763 27.85658 23.59173 
1 1 1   30    4   21 o   77.702   12.797  2592.95  779.274  3099.06  1149.79  2162.95  1059.82   83.411   17.533   69.353   18.485 14.05853 25.47773 
1 1 1   30    4   22 o   63.992   13.562  1802.90  682.793  1514.51  934.707  2132.87  999.808   58.228   17.971   68.373   17.826 -10.14552 25.31242 
1 1 1   30    4   23 o   83.674   12.427  3055.02  818.637  2302.49  1030.06  4345.33  1348.80   69.995   18.018   96.952   17.789 -26.95695 25.31974 
1 1 1   30    4   24 o   55.551   15.365  1449.90  716.393  1723.20  868.642  868.644  1266.77   59.840   17.051   49.455   20.114 10.38424 26.36865 
1 1 1   30    6    0 o  583.334   40.990 140167.09 19291.71   0.0000   0.0000 140167.09 19291.71  ?   ?   583.334   40.990 0.000000 40.99035 
1 1 1   30    6    1 o  807.388   39.055 266940.31 25603.42 264678.69 36252.99 269190.91 36164.59  798.414   56.282  805.424   55.641 -7.009888 79.14224 
1 1 1   30    6    2 o  683.214   25.021 190164.20 13880.07 184273.41 16974.74 202049.59 24111.57  671.913   31.114  700.692   42.582 -28.77881 52.73777 
1 1 1   30    6    3 o  1359.56   65.807 768566.12 72645.85 777852.50 102778.40 759294.81 102695.20  1348.17   94.487  1331.08   95.656 17.09290 134.4542 
1 1 1   30    6    4 o  830.033   32.407 281436.91 21840.72 286397.31 37740.28 278939.00 26780.93  830.371   56.308  825.016   39.978 5.354919 69.05680 
1 1 1   30    6    5 o  944.458   31.536 364572.59 24184.21 392268.09 34218.10 336930.31 34185.18  976.836   43.142  903.180   46.775 73.65576 63.63273 
1 1 1   30    6    6 o  541.501   20.251 119469.40  8903.80 160662.50 15559.62 99412.92 10857.13  626.526   30.586  492.511   27.255 134.0149 40.96782 
1 1 1   30    6    7 o  212.568   9.6640 18364.46  1667.99 24641.94  3047.44 15679.45  1993.04  245.551   15.362  195.937   12.594 49.61407 19.86453 
1 1 1   30    6    8 o  521.542   20.498 111135.70  8680.26 126397.60 15196.14 103744.20 10575.36  552.128   34.063  502.274   26.020 49.85406 42.86396 
1 1 1   30    6    9 o  290.332   15.734 34468.89  3695.19 33932.12  5351.57 34958.01  5108.48  286.850   23.175  291.448   21.743 -4.598083 31.77800 
1 1 1   30    6   10 f  386.150   16.132 60840.92  5058.03 61708.96  6219.45 59145.41  8692.26  387.908   19.812  377.700   28.554 10.20816 34.75431 
1 1 1   30    6   11 o  305.699   12.994 38078.88  3225.35 38916.53  3977.76 36471.04  5510.96  308.354   15.942  297.160   23.020 11.19473 28.00093 
1 1 1   30    6   12 o  367.985   13.717 55231.30  4098.55 56258.39  5832.52 54229.40  5760.60  370.022   19.482  363.243   19.604 6.779358 27.63774 
1 1 1   30    6   13 o   88.763   7.8084  3228.88  557.041  3854.27  817.486  2686.81  761.084   96.710   10.583   80.308   12.043 16.40200 16.03251 
1 1 1   30    6   14 o  246.015   9.9751 24653.09  1992.58 26886.09  2854.95 22532.27  2782.32  256.167   13.776  234.290   14.700 21.87685 20.14650 
1 1 1   30    6   15 o  148.305   7.8722  8978.06  944.570  8746.84  1339.44  9206.80  1332.24  145.940   11.394  149.802   11.030 -3.861832 15.85832 
1 1 1   30    6   16 f  153.763   8.4477  9669.51  1050.66  9984.62  1512.57  9375.72  1460.51  155.674   12.060  150.831   12.025 4.843460 17.03126 
1 1 1   30    6   17 o  119.425   8.4970  5855.14  818.578  6147.48  1174.08  5578.62  1141.88  121.726   12.037  115.838   12.330 5.887276 17.23095 
1 1 1   30    6   18 o  107.590   8.7381  4769.35  756.765  5780.52  1055.77  3700.81  1085.30  118.018   11.150   93.292   14.823 24.72609 18.54834 
1 1 1   30    6   19 f  107.142   9.1833  4747.55  791.190  4072.01  1156.26  5342.34  1084.96   97.613   15.074  113.006   12.008 -15.39278 19.27248 
1 1 1   30    6   20 o  139.098   10.907  8059.66  1222.01  9359.66  1436.66  4657.89  2323.99  149.599   11.926   99.066   27.773 50.53236 30.22502 
1 1 1   30    6   21 o  116.685   12.860  5785.08  1198.14  5413.56  1426.30  6675.77  2208.40  111.394   16.247  119.788   23.545 -8.394806 28.60651 
1 1 1   30    6   22 f   22.034   10.401 -523.0569  486.869 -635.3527  570.509 -222.0715  934.013   23.604   11.178   35.839   15.947 -12.23554 19.47419 
1 1 1   30    6   23 o  105.648   11.934  4828.88  1005.81  7361.72  1344.53  1610.25  1515.66  130.046   12.903   60.348   22.728 69.69765 26.13517 
1 1 1   30    6   24 o   63.640   14.999  1901.60  762.363  1631.86  916.196  2508.73  1374.54   57.864   17.781   68.905   21.872 -11.04161 28.18752 
1 1 1   30    8    0 f  460.018   32.960 86886.38 12229.57   0.0000   0.0000 86886.38 12229.57  ?   ?   460.018   32.960 0.000000 32.95988 
1 1 1   30    8    1 o  208.588   17.748 17823.40  2977.40   0.0000   0.0000 17823.40  2977.40  ?   ?   208.588   17.748 0.000000 17.74834 
1 1 1   30    8    2 o   89.512   13.185  3326.07  929.620   0.0000   0.0000  3326.07  929.620  ?   ?    89.512   13.185 0.000000 13.18547 
1 1 1   30    8    3 o  652.739   26.407 173715.80 13995.94 169384.30 24380.76 175844.80 17092.92  639.888   47.259  656.063   32.087 -16.17426 57.12309 
1 1 1   30    8    4 f  800.298   31.712 261818.00 20607.26 268929.19 35842.49 258306.70 25186.21  803.727   55.258  793.502   39.091 10.22565 67.68745 
1 1 1   30    8    5 f  1421.53   57.765 843567.00 66673.91 793073.62 115641.80 868709.62 81602.40  1330.41  107.983  1433.26   70.120 -102.8470 128.7517 
1 1 1   30    8    6 o  399.457   20.293 65241.34  6560.46 67412.04  9365.32 63149.85  9192.88  404.663   28.689  391.513   29.126 13.14941 40.88277 
1 1 1   30    8    7 o  385.582   15.817 60573.37  4951.89 64145.03  6066.85 53444.51  8571.14  396.493   18.845  359.416   29.634 37.07681 35.11841 
1 1 1   30    8    8 o  548.178   23.069 123095.90 10268.06 128441.00 12585.22 112454.00 17758.10  558.844   27.735  516.791   42.702 42.05304 50.91887 
1 1 1   30    8    9 o  574.526   29.955 136583.00 13925.56 136583.00 13925.56   0.0000   0.0000  574.526   29.955  ?   ?  0.000000 29.95514 
1 1 1   30    8   10 o  838.705   27.841 290118.91 18960.06 293458.59 26852.28 286798.41 26775.05  836.902   39.516  827.121   39.868 9.781250 56.13309 
1 1 1   30    8   11 o  319.379   12.179 41553.37  3158.22 41702.94  4502.88 41408.56  4430.79  318.914   17.455  317.821   17.234 1.092133 24.52966 
1 1 1   30    8   12 o  311.395   26.919 40398.21  6739.43 35832.08 11928.73 42539.05  8167.94  282.650   53.945  317.938   32.078 -35.28873 62.76164 
1 1 1   30    8   13 o  421.340   15.104 72571.45  5167.21 72157.89  7354.67 72974.59  7261.31  418.063   21.741  420.557   21.334 -2.494598 30.46029 
1 1 1   30    8   14 o  508.149   17.753 106025.90  7324.84 103278.70 10408.69 108721.20 10309.80  497.774   25.842  511.826   24.808 -14.05185 35.82213 
1 1 1   30    8   15 o  465.634   16.758 89208.81  6336.04 92753.41  9013.03 85745.66  8908.89  471.760   23.529  452.591   24.332 19.16882 33.84786 
1 1 1   30    8   16 o   24.903   10.600  -0.7396  375.734  651.141  480.406 -1027.6990  602.978   40.314   12.944   22.103   10.727 18.21097 16.81177 
1 1 1   30    8   17 o  298.050   11.692 36527.01  2829.50 38811.05  4060.56 34371.14  3944.99  304.931   16.461  286.635   17.027 18.29657 23.68285 
1 1 1   30    8   18 o   41.375   13.490  687.044  520.486 -59.1442  720.502  1501.44  752.711   33.519   14.478   58.925   15.518 -25.40614 21.22316 
1 1 1   30    8   19 o   54.224   12.884  1269.93  558.879  1699.83  788.085  834.992  792.682   62.421   15.594   47.077   16.629 15.34421 22.79721 
1 1 1   30    8   20 o   31.466   12.789  180.416  511.661  211.446  591.597   88.301  1019.29   33.800   13.746   40.929   17.440 -7.129429 22.20627 
1 1 1   30    8   21 f  264.558   11.547 29284.44  2480.52 28708.44  3553.09 29832.08  3464.55  256.955   17.128  262.750   16.320 -5.794006 23.65816 
1 1 1   30    8   22 o   73.615   13.503  2382.43  777.340  2903.55  837.282 -871.1573  2092.10   81.623   13.075   49.044   22.614 32.57908 26.12168 
1 1 1   30    8   23 o   82.039   15.325  3068.24  983.278  3033.02  1080.61  3237.79  2370.72   80.554   17.053   76.657   28.512 3.896957 33.22195 
1 1 1   30   10    0 o  576.206   40.702 136871.91 18920.51   0.0000   0.0000 136871.91 18920.51  ?   ?   576.206   40.702 0.000000 40.70232 
1 1 1   30   10    1 o  734.354   29.753 220196.09 17741.12 213179.50 30930.87 223636.20 21657.85  716.092   53.585  739.072   36.090 -22.98010 64.60556 
1 1 1   30   10    2 o  384.606   19.754 60372.54  6148.08 65869.72  8742.57 54994.14  8647.60  400.898   27.015  365.806   29.362 35.09167 39.89891 
1 1 1   30   10    3 o  610.516   29.810 152350.50 14777.16 157574.91 20958.30 147185.80 20838.32  617.465   42.053  596.341   43.332 21.12451 60.38317 
1 1 1   30   10    4 o  381.316   19.578 59393.29  6041.10 63510.48  8608.02 55397.44  8480.23  393.274   27.123  366.911   28.693 26.36255 39.48344 
1 1 1   30   10    5 o  768.897   37.472 243872.09 23394.38 247621.41 33164.67 240158.70 33005.21  766.794   53.604  754.791   54.215 12.00366 76.24104 
1 1 1   30   10    6 f  211.366   9.1673 18159.12  1573.31 21539.42  2222.20 14761.74  2227.80  229.794   11.951  189.845   14.563 39.94902 18.83931 
1 1 1   30   10    7 o  243.234   11.297 24070.41  2231.08 27033.93  2751.31 18379.22  3812.75  257.336   13.212  210.684   22.643 46.65187 26.21587 
1 1 1   30   10    8 o  383.201   14.048 59830.85  4371.00 60968.73  6192.95 58701.32  6170.19  385.639   19.845  378.322   20.159 7.317017 28.28796 
1 1 1   30   10    9 o  510.391   20.143 106616.10  8347.55 106113.00 10226.73 107620.30 14449.59  508.136   24.787  507.453   35.288 0.6832275 43.12367 
1 1 1   30   10   10 o  528.607   18.667 114320.10  8012.16 112329.10 11358.89 116291.70 11303.11  521.162   26.935  531.169   26.208 -10.00677 37.58080 
1 1 1   30   10   11 o  389.500   13.810 61886.19  4367.66 59554.77  6206.50 64173.51  6147.53  380.556   20.158  395.770   19.130 -15.21387 27.79023 
1 1 1   30   10   12 o  201.667   8.7181 16547.04  1427.57 16000.34  2028.26 17083.75  2009.64  197.666   12.705  204.345   12.167 -6.679230 17.59105 
1 1 1   30   10   13 o  208.926   8.6650 17764.92  1469.93 16821.70  2096.73 18676.54  2061.31  202.610   12.811  213.655   11.930 -11.04533 17.50548 
1 1 1   30   10   14 o  197.250   8.6227 15843.67  1381.02 14976.97  1970.77 16679.89  1935.80  191.015   12.780  201.772   11.868 -10.75784 17.44097 
1 1 1   30   10   15 o  251.279   10.049 25780.78  2050.25 26133.47  2934.05 25444.23  2866.13  251.842   14.408  248.524   14.263 3.317642 20.27386 
1 1 1   30   10   16 o  164.126   8.0281 10992.23  1069.86 10401.96  1521.29 11569.83  1504.88  158.747   11.889  167.633   11.119 -8.886780 16.27816 
1 1 1   30   10   17 o  192.674   9.2978 15205.52  1454.60 16144.48  2104.26 14346.25  2013.00  197.232   13.216  185.808   13.433 11.42424 18.84448 
1 1 1   30   10   18 o   71.545   10.403  2148.80  586.632  3479.53  820.613  757.981  838.937   91.170   11.330   46.563   17.023 44.60741 20.44838 
1 1 1   30   10   19 o   85.554   9.7152  3052.42  662.920  2810.29  844.338  3441.55  1070.39   81.118   13.279   89.321   15.310 -8.203087 20.26596 
1 1 1   30   10   20 o  126.826   9.5618  6682.43  977.421  7251.92  1291.69  5919.48  1495.07  131.213   12.266  116.859   16.192 14.35355 20.31324 
1 1 1   30   10   21 o   64.608   12.711  1817.73  643.073  2278.08  755.967  612.396  1223.25   72.298   13.370   48.866   19.805 23.43235 23.89547 
1 1 1   30   10   22 o   78.008   11.743  2632.36  720.730  2504.81  847.177  2966.57  1371.30   74.938   14.447   78.418   21.082 -3.479393 25.55660 
1 1 1   30   10   23 o  102.557   12.636  4632.93  1029.95  4284.27  1120.13  6540.56  2620.08   97.329   14.626  105.165   29.491 -7.836349 32.91881 
1 1 1   30   12    0 o  754.144   53.188 237498.70 32360.22   0.0000   0.0000 237498.70 32360.22  ?   ?   754.144   53.188 0.000000 53.18769 
1 1 1   30   12    1 o  362.044   19.053 53532.80  5581.31 55538.07  7966.79 51600.00  7821.53  367.724   26.868  354.291   27.402 13.43277 38.37684 
1 1 1   30   12    2 o  452.093   22.834 83611.38  8354.79 91383.80 11874.74 75992.27 11757.05  471.191   31.214  428.914   34.039 42.27716 46.18422 
1 1 1   30   12    3 o  366.974   15.429 54819.52  4597.49 62342.78  8172.17 51335.89  5560.97  389.548   25.986  354.324   19.403 35.22372 32.43047 
1 1 1   30   12    4 o  316.321   14.006 40726.45  3597.38 42551.10  6432.20 39895.94  4339.52  321.516   24.831  312.412   17.173 9.103668 30.19108 
1 1 1   30   12    5 o  141.382   8.7113  8155.33  995.159  6920.21  1945.14  8593.25  1158.22  128.812   19.183  145.042   9.8937 -16.23074 21.58390 
1 1 1   30   12    6 f  261.665   14.419 27981.11  3051.76 29022.79  4534.81 27118.86  4125.81  265.511   21.212  256.812   19.942 8.699463 29.11422 
1 1 1   30   12    7 o  128.808   8.0857  6770.58  841.377 11855.44  1716.01  5161.26  965.383  170.183   12.506  112.121   10.735 58.06147 16.48167 
1 1 1   30   12    8 o  156.590   7.7475  9966.89  985.066 11381.37  1373.60  8469.18  1413.44  166.951   10.182  143.702   12.230 23.24976 15.91342 
1 1 1   30   12    9 o  310.279   24.578 39842.19  6141.50 43141.84  7515.12 33207.72 10656.26  321.762   29.079  275.086   49.530 46.67599 57.43556 
1 1 1   30   12   10 o  588.945   20.808 142313.50  9950.59 142716.41 14095.92 141913.41 14048.71  585.880   29.728  584.232   29.713 1.647400 42.03143 
1 1 1   30   12   11 o  243.621   11.276 24180.22  2230.49 28103.93  3163.65 20302.12  3145.21  261.880   14.940  221.998   17.593 39.88217 23.08048 
1 1 1   30   12   12 o  132.523   9.4359  7185.88  1008.71  7237.86  2122.67  7170.71  1146.43  131.128   20.617  132.226   10.772 -1.097397 23.26120 
1 1 1   30   12   13 o  326.378   12.270 43489.16  3251.52 43316.82  4631.49 43656.66  4565.91  324.300   17.655  325.658   17.330 -1.358093 24.73922 
1 1 1   30   12   14 o  169.525   8.5583 11738.60  1174.23 14273.38  1663.35  9220.46  1657.89  186.632   11.025  149.389   13.824 37.24200 17.68259 
1 1 1   30   12   15 o  184.204   8.6156 13845.90  1288.61 14819.97  1862.65 12951.73  1784.61  189.720   12.155  177.239   12.480 12.48112 17.42167 
1 1 1   30   12   16 f   24.309   10.363  -3.6556  360.226 -191.1175  441.303  370.664  623.594   24.311   10.879   37.239   14.438 -12.92747 18.07787 
1 1 1   30   12   17 o   58.066   9.9947  1422.47  454.229  2541.49  594.731 -144.1034  703.682   78.147   9.5730   32.185   14.099 45.96158 17.04192 
1 1 1   30   12   18 o  178.696   9.4783 13162.95  1370.33 13734.72  1945.35 12599.79  1930.62  181.237   13.313  173.346   13.832 7.890228 19.19742 
1 1 1   30   12   19 o  244.041   11.121 24694.61  2203.67 25236.65  3158.08 24180.24  3076.43  243.502   16.063  238.384   15.986 5.118149 22.66253 
1 1 1   30   12   20 o   56.748   11.821  1393.42  526.985  1853.47  614.460  113.865  1024.76   65.622   11.973   41.055   17.490 24.56736 21.19608 
1 1 1   30   12   21 o   74.287   10.302  2346.15  604.671  2279.40  703.352  2535.23  1183.77   72.504   12.392   73.863   19.464 -1.358452 23.07449 
1 1 1   30   12   22 o  140.466   10.506  8381.86  1189.58  7681.67  1560.89  9352.06  1837.37  131.583   14.870  144.436   15.932 -12.85204 21.79353 
1 1 1   30   12   23 o  159.119   11.204 10983.14  1438.26 12526.89  1959.48  9179.95  2117.75  166.296   14.662  136.897   19.613 29.39903 24.48719 
1 1 1   30   14    0 o  457.047   23.474 85634.70  8681.83   0.0000   0.0000 85634.70  8681.83  ?   ?   457.047   23.474 0.000000 23.47362 
1 1 1   30   14    1 o  211.623   13.460 18299.61  2300.89   0.0000   0.0000 18299.61  2300.89  ?   ?   211.623   13.460 0.000000 13.46038 
1 1 1   30   14    2 o  186.441   10.429 14178.38  1572.42 14966.17  2756.69 13798.46  1914.40  190.713   18.015  183.684   12.918 7.028992 22.16818 
1 1 1   30   14    3 o  354.676   17.978 51462.77  5160.57 53613.68  7622.58 49642.70  7011.90  360.513   26.220  347.081   25.049 13.43216 36.26201 
1 1 1   30   14    4 o  479.260   25.404 94547.55  9850.44 84511.15 14217.25 103813.50 13660.67  448.664   39.426  499.656   33.872 -50.99252 51.97799 
1 1 1   30   14    5 o  310.945   13.923 39392.86  3515.27 36352.61  6331.40 40747.68  4226.56  296.169   26.612  315.589   16.552 -19.41986 31.33972 
1 1 1   30   14    6 o  652.166   25.827 174904.59 13676.16 179962.30 23958.78 172460.20 16656.41  651.403   45.585  645.479   31.781 5.923889 55.56977 
1 1 1   30   14    7 o  529.077   20.497 114633.50  8805.19 125285.90 15537.14 109593.60 10687.06  547.516   35.135  516.097   25.503 31.41919 43.41470 
1 1 1   30   14    8 o  384.014   20.347 60590.96  6321.81 60360.57  9117.81 60804.24  8772.95  380.732   29.730  382.536   28.448 -1.804626 41.14788 
1 1 1   30   14    9 o  237.119   11.943 22964.63  2292.05 18259.46  4274.15 24863.89  2715.52  208.871   25.747  246.538   13.618 -37.66644 29.12655 
1 1 1   30   14   10 o  264.488   11.696 28507.14  2511.80 37540.58  4695.57 24886.05  2972.91  301.953   19.252  246.385   14.931 55.56862 24.36340 
1 1 1   30   14   11 o  433.471   15.783 76871.56  5555.02 76978.76  7879.25 76765.63  7832.93  431.491   22.568  430.927   22.464 0.5642395 31.84232 
1 1 1   30   14   12 o  561.442   23.697 130545.90 10802.75 117478.60 19122.96 136670.59 13091.83  517.094   46.027  572.130   28.182 -55.03601 53.96930 
1 1 1   30   14   13 o  285.224   10.865 33203.02  2516.18 33491.72  3583.28 32922.18  3534.05  285.270   15.528  282.848   15.446 2.422272 21.90254 
1 1 1   30   14   14 o  217.129   10.161 19262.39  1791.40 22675.54  2575.62 16064.08  2493.24  234.619   13.578  196.816   15.733 37.80302 20.78201 
1 1 1   30   14   15 o  194.637   8.9977 15484.45  1421.99 14624.59  2037.49 16301.00  1985.51  187.919   13.442  198.740   12.365 -10.82051 18.26441 
1 1 1   30   14   16 o   66.469   8.7519  1838.61  460.860  2575.98  583.159  612.049  752.127   78.766   9.2975   43.226   16.063 35.53978 18.55957 
1 1 1   30   14   17 o  220.381   9.8817 19966.22  1768.25 22171.71  2550.82 17926.00  2453.39  230.544   13.688  206.784   14.708 23.76035 20.09186 
1 1 1   30   14   18 o  106.370   8.4229  4672.70  721.532  5110.60  919.351  3970.37  1164.30  110.815   10.337   96.037   15.455 14.77828 18.59350 
1 1 1   30   14   19 o   64.896   10.161  1783.01  517.853  1405.97  602.547  2848.56  1012.94   56.798   13.299   80.525   16.056 -23.72638 20.84847 
1 1 1   30   14   20 o   81.350   9.4883  2780.05  614.960  2718.63  723.643  2939.72  1166.71   79.820   11.497   80.485   18.271 -0.6651611 21.58696 
1 1 1   30   14   21 o   31.266   12.436  243.308  472.904  333.470  514.573 -246.7326  1199.64   33.719   13.104   40.237   17.976 -6.518383 22.24492 
1 1 1   30   14   22 o   39.047   12.756  650.872  465.312  576.433  496.533  1187.56  1333.25   37.736   13.174   54.130   21.077 -16.39394 24.85526 
1 1 1   30   16    0 o  414.415   21.614 70509.66  7247.87   0.0000   0.0000 70509.66  7247.87  ?   ?   414.415   21.614 0.000000 21.61442 
1 1 1   30   16    1 o  270.737   15.952 30001.22  3491.17   0.0000   0.0000 30001.22  3491.17  ?   ?   270.737   15.952 0.000000 15.95172 
1 1 1   30   16    2 o  400.120   17.307 65364.36  5622.71 61190.36  9794.71 67415.92  6866.87  383.352   31.753  405.295   20.938 -21.94281 38.03479 
1 1 1   30   16    3 o  348.271   16.281 49494.83  4603.99 36089.35  9415.35 53707.48  5278.04  290.902   40.998  362.594   17.927 -71.69214 44.74661 
1 1 1   30   16    4 o  382.239   14.813 59576.23  4597.47 65632.94  8303.75 56898.89  5520.88  398.642   25.792  373.135   18.222 25.50723 31.57980 
1 1 1   30   16    5 f  372.888   14.350 56692.14  4344.66 64278.68  7850.43 53342.58  5216.33  394.685   24.619  361.292   17.781 33.39264 30.36928 
1 1 1   30   16    6 o  374.193   14.531 57110.79  4415.08 67914.63  7964.61 52318.13  5304.73  405.674   24.291  357.197   18.352 48.47739 30.44456 
1 1 1   30   16    7 o  548.336   23.065 123606.00 10269.33 116657.80 18139.81 126883.20 12457.91  523.131   43.089  554.039   27.693 -30.90692 51.22041 
1 1 1   30   16    8 o  357.717   15.539 52273.33  4513.40 51849.91  8209.86 52456.73  5403.16  352.481   28.941  357.378   18.685 -4.896881 34.44863 
1 1 1   30   16    9 o  186.107   9.9372 14140.74  1496.21 18758.16  3018.95 12637.30  1722.65  213.314   17.587  175.649   12.153 37.66498 21.37750 
1 1 1   30   16   10 o  455.870   19.399 85368.85  7180.75 81173.39 12855.44 87271.52  8657.22  436.713   36.591  459.179   23.296 -22.46570 43.37748 
1 1 1   30   16   11 o  415.562   17.436 70874.11  5883.40 75278.56 10642.17 68935.47  7060.46  422.238   31.263  408.205   21.376 14.03336 37.87246 
1 1 1   30   16   12 o  378.884   16.509 58977.23  5078.96 57338.45  9264.89 59681.30  6072.77  366.784   31.413  379.681   19.767 -12.89740 37.11423 
1 1 1   30   16   13 o  123.659   10.482  6291.96  1042.51  6902.28  2936.06  6203.91  1115.18  124.911   29.432  122.646   11.326 2.264412 31.53587 
1 1 1   30   16   14 o   91.436   11.298  3478.91  820.981  4106.56  2417.01  3397.05  872.878   96.489   28.719   90.146   12.242 6.343834 31.21911 
1 1 1   30   16   15 o   92.618   7.8288  3528.50  583.231  4438.64  754.263  2175.12  919.772  103.752   9.0438   70.896   16.316 32.85566 18.65518 
1 1 1   30   16   16 o  150.481   8.4750  9302.41  1031.31  9666.11  1439.56  8918.93  1478.18  152.606   11.707  146.309   12.565 6.296951 17.17329 
1 1 1   30   16   17 o  250.945   10.662 25993.86  2172.45 27466.77  3128.80 24622.74  3018.76  255.421   15.154  241.611   15.469 13.80963 21.65489 
1 1 1   30   16   18 o   10.879   5.3856 -410.5531  177.104 -382.2255  181.659 -954.2678  795.860   11.380   5.5994   27.489   13.071 -16.10826 14.21963 
1 1 1   30   16   19 o   25.510   9.8250  181.892  287.264  227.304  306.849 -140.1716  817.174   27.119   10.224   34.449   15.140 -7.329554 18.26826 
1 1 1   30   16   20 o  118.603   8.8553  5867.42  846.629  5221.59  1050.57  7063.84  1429.91  110.668   11.877  127.776   14.012 -17.10797 18.36860 
1 1 1   30   16   21 o   80.909   10.166  2798.06  653.089  2846.97  757.048  2655.74  1291.32   80.912   11.877   73.800   20.707 7.112236 23.87097 
1 1 1   30   16   22 o   66.455   10.767  1937.03  561.081  1977.34  607.448  1702.81  1464.24   66.765   11.628   59.375   22.343 7.390461 25.18776 
1 1 1   30   18    0 o  792.946   39.624 263920.41 25511.76   0.0000   0.0000 263920.41 25511.76  ?   ?   792.946   39.624 0.000000 39.62401 
1 1 1   30   18    1 o  502.005   26.054 104075.50 10583.35   0.0000   0.0000 104075.50 10583.35  ?   ?   502.005   26.054 0.000000 26.05388 
1 1 1   30   18    2 o  471.934   20.032 91212.06  7675.98 84891.13 13395.03 94302.63  9366.40  449.213   37.055  478.325   24.195 -29.11209 44.25455 
1 1 1   30   18    3 o  394.503   17.165 63599.28  5498.26 68385.70  9574.58 61244.24  6716.04  405.572   29.271  385.830   21.524 19.74203 36.33274 
1 1 1   30   18    4 o  408.585   16.964 68225.38  5628.05 65368.15 10181.27 69482.65  6753.73  395.423   31.984  411.765   20.200 -16.34174 37.82912 
1 1 1   30   18    5 o  299.028   14.395 36484.17  3495.01 29985.67  6488.03 39140.85  4148.35  267.181   30.451  309.035   16.593 -41.85403 34.67808 
1 1 1   30   18    6 o  175.090   9.7512 12515.00  1380.81 10731.44  2857.71 13058.24  1577.13  160.017   22.625  178.740   10.919 -18.72302 25.12245 
1 1 1   30   18    7 o  567.979   23.882 133031.59 11013.80 126005.00 19509.16 136318.70 13343.55  540.762   44.836  572.268   28.809 -31.50659 53.29393 
1 1 1   30   18    8 o  180.031   10.727 13250.18  1561.00 10274.15  3231.44 14156.03  1782.81  155.404   26.563  185.966   11.869 -30.56186 29.09444 
1 1 1   30   18    9 o  350.468   16.879 50333.16  4803.30 38489.97  8826.44 55316.22  5725.32  299.240   37.124  366.393   19.313 -67.15399 41.84740 
1 1 1   30   18   10 o  198.632   10.302 16124.03  1655.83 26161.00  3476.48 13178.93  1883.16  251.916   17.097  179.139   13.036 72.77719 21.50006 
1 1 1   30   18   11 o  226.634   11.929 21043.47  2187.38 21331.45  4406.92 20949.34  2519.68  224.967   24.523  225.777   13.811 -0.8101807 28.14443 
1 1 1   30   18   12 o  180.577   11.012 13381.68  1606.88 17255.30  3715.10 12490.24  1782.22  201.821   23.086  174.124   12.693 27.69746 26.34540 
1 1 1   30   18   13 o  233.453   12.008 22432.99  2268.43 28869.15  4765.98 20547.88  2579.32  260.561   22.755  222.747   14.337 37.81363 26.89545 
1 1 1   30   18   14 o   29.297   12.984 -199.3905  613.295 -2391.0830  2725.88 -82.5305  629.433   53.341   25.001   31.064   13.475 22.27682 28.40117 
1 1 1   30   18   15 o  193.971   11.513 15566.74  1805.18 22870.68  4223.06 13933.79  1996.80  229.344   22.987  182.812   13.549 46.53226 26.68291 
1 1 1   30   18   16 o  256.088   13.368 27368.35  2769.96 36465.13  6224.68 25122.20  3093.09  284.128   27.318  244.076   15.690 40.05226 31.50350 
1 1 1   30   18   17 o  150.112   12.162  9435.00  1469.68 10765.05  4119.60  9241.03  1573.19  145.859   35.189  148.149   13.217 -2.289352 37.58968 
1 1 1   30   18   18 o  155.259   13.297 10211.13  1660.17  7739.97  5204.23 10491.09  1751.69  115.451   42.369  157.102   13.875 -41.65023 44.58307 
1 1 1   30   18   19 o   31.065   14.636 -929.1097  955.374 -1128.9730  3751.79 -915.2512  987.942   64.389   29.897   31.844   14.966 32.54441 33.43354 
1 1 1   30   18   20 o  162.908   15.539 11729.28  2030.46   0.0000   0.0000 11729.28  2030.46  ?   ?   162.908   15.539 0.000000 15.53855 
1 1 1   30   18   21 o   51.678   20.072  1066.80  1206.85   0.0000   0.0000  1066.80  1206.85  ?   ?    51.678   20.072 0.000000 20.07217 
1 1 1   30   20    0 o  298.298   17.497 36529.01  4219.30   0.0000   0.0000 36529.01  4219.30  ?   ?   298.298   17.497 0.000000 17.49669 
1 1 1   30   20    1 o  633.836   32.545 167905.20 16692.97   0.0000   0.0000 167905.20 16692.97  ?   ?   633.836   32.545 0.000000 32.54506 
1 1 1   30   20    2 o  536.134   22.709 118247.20  9885.92 109206.30 17274.31 122650.40 12055.24  505.484   42.482  543.758   27.392 -38.27463 50.54727 
1 1 1   30   20    3 o  173.980   11.574 12386.14  1625.69 13434.88  2927.36 11918.46  1954.85  179.809   20.412  170.293   14.269 9.515930 24.90521 
1 1 1   30   20    4 o  199.779   12.140 16328.12  1959.92 13967.80  3459.85 17443.43  2378.32  182.582   23.913  206.220   14.292 -23.63814 27.85803 
1 1 1   30   20    5 o  442.084   23.605 80831.34  8442.67 81536.29 12178.07 80179.01 11714.87  439.539   34.397  436.354   33.316 3.184662 47.88650 
1 1 1   30   20    6 o  324.198   14.820 42955.85  3901.26 41257.46  7325.83 43628.16  4609.20  313.527   29.109  325.847   17.485 -12.32004 33.95667 
1 1 1   30   20    7 o  156.327   9.8912  9992.58  1249.04  9472.04  2838.52 10117.57  1390.94  149.527   24.207  157.178   10.968 -7.650436 26.57544 
1 1 1   30   20    8 o  254.326   11.636 26386.24  2402.93 32447.32  4817.13 24378.46  2772.50  279.664   21.375  243.792   14.066 35.87187 25.58817 
1 1 1   30   20    9 f  160.102   9.7294 10484.44  1258.80 13335.20  2813.09  9770.69  1407.59  178.803   19.703  154.327   11.312 24.47650 22.71964 
1 1 1   30   20   10 o  262.905   12.544 28277.85  2677.73 31802.62  5386.01 27120.58  3086.16  274.919   24.381  256.655   14.873 18.26337 28.55944 
1 1 1   30   20   11 o  105.863   11.042  4633.55  935.159  3312.05  2587.52  4832.09  1002.95   89.719   30.109  108.030   11.617 -18.31095 32.27254 
1 1 1   30   20   12 o   96.409   11.245  3862.30  863.721 -1183.7930  2949.48  4335.61  903.320   61.575   27.790  102.255   11.056 -40.67947 29.90887 
1 1 1   30   20   13 o  121.815   11.403  6153.90  1114.74  5643.97  3322.81  6218.58  1183.31  110.577   33.843  122.305   12.073 -11.72852 35.93195 
1 1 1   30   20   14 o   88.959   13.516  3351.73  945.563 -1923.9670  3319.28  3817.66  986.435   61.567   28.422   95.167   13.114 -33.59956 31.30150 
1 1 1   30   20   15 o  147.888   12.251  9124.69  1457.87 10140.90  3923.55  8961.92  1570.29  144.379   34.026  146.179   13.378 -1.800522 36.56137 
1 1 1   30   20   16 o  149.291   12.035  9322.45  1446.54 12793.85  4179.48  8850.02  1541.83  161.649   32.960  144.987   13.243 16.66222 35.52115 
1 1 1   30   20   17 o  160.747   12.999 10909.84  1682.13  8954.69  4734.47 11192.30  1799.54  125.529   40.671  162.450   13.772 -36.92118 42.93977 
1 1 1   30   20   18 o   42.313   16.781  488.218  858.810 -971.7151  3887.58  563.121  880.565   66.353   30.676   43.617   17.088 22.73592 35.11447 
1 1 1   30   20   19 o  149.088   15.447  9780.17  1842.74   0.0000   0.0000  9780.17  1842.74  ?   ?   149.088   15.447 0.000000 15.44652 
1 1 1   30   20   20 o   26.235   13.021 -2298.7781  1060.52   0.0000   0.0000 -2298.7781  1060.52  ?   ?    26.235   13.021 0.000000 13.02058 
1 1 1   30   20   21 o   38.471   17.667 -414.0128  1259.45   0.0000   0.0000 -414.0128  1259.45  ?   ?    38.471   17.667 0.000000 17.66743 
1 1 1   30   22    0 o  179.510   14.427 13249.32  2084.99   0.0000   0.0000 13249.32  2084.99  ?   ?   179.510   14.427 0.000000 14.42654 
1 1 1   30   22    1 o  243.924   16.238 24456.55  3197.76   0.0000   0.0000 24456.55  3197.76  ?   ?   243.924   16.238 0.000000 16.23837 
1 1 1   30   22    2 o  145.532   14.095  8731.19  1644.71   0.0000   0.0000  8731.19  1644.71  ?   ?   145.532   14.095 0.000000 14.09511 
1 1 1   30   22    3 o  370.384   17.395 56231.16  5231.30 55496.66  9227.63 56579.02  6350.39  362.740   31.647  370.086   21.222 -7.346619 38.10340 
1 1 1   30   22    4 o  120.046   13.075  5952.09  1253.87  5160.58  2317.42  6279.71  1490.95  109.363   26.398  122.979   15.259 -13.61585 30.49095 
1 1 1   30   22    5 o  118.131   8.1738  5705.51  779.197  5507.65  2291.20  5731.38  828.584  113.045   25.561  118.346   8.6833 -5.301437 26.99582 
1 1 1   30   22    6 o  267.444   11.901 29190.02  2584.47 36224.32  5258.32 26949.46  2967.67  295.283   22.092  256.287   14.318 38.99561 26.32595 
1 1 1   30   22    7 o  147.653   9.5306  8920.22  1136.51  9187.53  2795.90  8867.31  1243.92  146.877   24.293  147.093   10.484 -0.2156830 26.45871 
1 1 1   30   22    8 o  242.700   11.252 24055.51  2217.45 28870.14  4614.80 22610.14  2528.48  262.910   21.815  234.649   13.326 28.26134 25.56282 
1 1 1   30   22    9 o   85.261   11.232  3022.67  758.648  3592.79  2877.50  2980.07  786.475   93.812   31.750   84.549   11.776 9.262657 33.86375 
1 1 1   30   22   10 o   79.164   11.569  2621.20  721.682  3760.06  3019.26  2552.19  743.226   95.169   32.522   77.983   12.132 17.18503 34.71075 
1 1 1   30   22   11 o  195.726   11.337 15780.25  1793.93 24533.18  4588.71 14201.11  1949.05  238.807   23.989  185.201   13.044 53.60522 27.30652 
1 1 1   30   22   12 o  162.312   10.950 10877.94  1434.68 14461.09  4113.46 10381.71  1530.81  179.101   29.299  158.282   12.000 20.81886 31.66169 
1 1 1   30   22   13 o   75.637   14.990  2464.57  888.076  868.521  3528.61  2572.50  917.613   76.254   32.470   77.269   15.167 -1.014984 35.83798 
1 1 1   30   22   14 o  202.294   12.429 17042.53  2031.68 23046.70  5323.78 16019.04  2198.03  222.873   30.196  195.471   13.940 27.40222 33.25874 
1 1 1   30   22   15 o  115.780   13.508  5677.58  1245.99  5900.90  3750.68  5649.88  1321.02  108.158   36.251  115.158   14.446 -6.999893 39.02301 
1 1 1   30   22   16 o   22.327   11.117 -1979.5570  798.971 -762.0274  4038.11 -2029.1620  815.085   69.880   31.922   22.506   11.210 47.37405 33.83281 
1 1 1   30   22   17 o   65.011   18.301  1913.37  1006.96  6189.69  5271.39  1751.41  1025.85  103.329   41.380   62.409   18.740 40.91997 45.42624 
1 1 1   30   22   18 o   26.940   13.139 -1574.5010  935.305   0.0000   0.0000 -1574.5010  935.305  ?   ?    26.940   13.139 0.000000 13.13883 
1 1 1   30   22   19 o   96.646   18.828  4416.74  1424.41   0.0000   0.0000  4416.74  1424.41  ?   ?    96.646   18.828 0.000000 18.82841 
1 1 1   30   22   20 o   40.952   18.323 -72.2775  1251.42   0.0000   0.0000 -72.2775  1251.42  ?   ?    40.952   18.323 0.000000 18.32273 
1 1 1   30   24    0 f  212.304   16.050 18578.50  2746.38   0.0000   0.0000 18578.50  2746.38  ?   ?   212.304   16.050 0.000000 16.05033 
1 1 1   30   24    1 o  192.644   15.781 15306.87  2446.87   0.0000   0.0000 15306.87  2446.87  ?   ?   192.644   15.781 0.000000 15.78136 
1 1 1   30   24    2 o  298.873   18.678 36884.92  4509.94   0.0000   0.0000 36884.92  4509.94  ?   ?   298.873   18.678 0.000000 18.67793 
1 1 1   30   24    3 o  415.454   19.292 71101.40  6508.01 72141.78 11574.37 70620.41  7869.91  410.432   35.068  411.931   23.628 -1.499054 42.28498 
1 1 1   30   24    4 o  417.159   19.796 71799.41  6705.16 73880.47 11811.88 70809.96  8144.63  414.650   35.423  411.873   24.464 2.777588 43.04965 
1 1 1   30   24    5 o  423.481   19.979 74111.42  6869.70 75186.48 12023.72 73590.40  8370.44  417.218   35.840  419.387   24.690 -2.168579 43.52151 
1 1 1   30   24    6 o  360.866   15.917 53541.27  4663.73 52114.59  9053.22 54056.64  5441.27  347.954   32.417  361.314   18.610 -13.36011 37.37905 
1 1 1   30   24    7 f  447.999   17.184 82892.48  6251.02 108118.70 11979.93 73454.66  7327.64  502.675   29.480  419.152   21.604 83.52344 36.54890 
1 1 1   30   24    8 o   86.907   9.6130  3123.25  666.986  5476.23  3215.30  3017.44  681.817  110.782   33.158   85.335   10.032 25.44727 34.64214 
1 1 1   30   24    9 o  251.620   11.449 25988.67  2339.18 41328.76  5343.47 22352.01  2601.72  312.552   21.180  232.371   13.852 80.18126 25.30795 
1 1 1   30   24   10 o   71.300   12.646  2156.37  705.288  9255.72  2817.50  1681.77  728.482  144.930   24.836   62.485   14.618 82.44507 28.81879 
1 1 1   30   24   11 o  172.640   11.114 12319.51  1549.67 17731.80  4688.59 11655.75  1641.94  197.385   30.216  167.615   12.147 29.76993 32.56614 
1 1 1   30   24   12 o  224.293   12.398 20895.60  2249.12 24816.33  5519.09 20114.82  2462.91  232.732   29.897  219.418   13.896 13.31401 32.96893 
1 1 1   30   24   13 o  116.584   12.611  5711.26  1174.74  6678.60  3912.31  5615.40  1231.57  115.289   36.932  115.342   13.400 -0.5285645E-01 39.28754 
1 1 1   30   24   14 o   86.798   15.697  3275.99  1065.56  2760.27  3921.38  3317.10  1107.22   86.782   35.352   87.167   16.241 -0.3851471 38.90462 
1 1 1   30   24   15 o   96.960   15.647  4094.03  1189.92  1219.67  5078.75  4260.98  1223.99   83.467   37.159   98.904   15.771 -15.43773 40.36744 
1 1 1   30   24   16 o   63.000   18.788  1790.98  1033.67  5157.17  5237.54  1654.55  1054.41   97.869   40.469   60.903   19.135 36.96533 44.76500 
1 1 1   30   24   17 o   44.022   18.201  409.413  1059.20   0.0000   0.0000  409.413  1059.20  ?   ?    44.022   18.201 0.000000 18.20084 
1 1 1   30   24   18 o   77.699   19.221  2898.11  1205.97   0.0000   0.0000  2898.11  1205.97  ?   ?    77.699   19.221 0.000000 19.22121 
1 1 1   30   24   19 o   58.725   20.308  1688.27  1178.58   0.0000   0.0000  1688.27  1178.58  ?   ?    58.725   20.308 0.000000 20.30798 
1 1 1   30   26    0 o  209.543   16.951 18197.91  2859.36   0.0000   0.0000 18197.91  2859.36  ?   ?   209.543   16.951 0.000000 16.95092 
1 1 1   30   26    1 o  361.168   21.656 54409.36  6321.37   0.0000   0.0000 54409.36  6321.37  ?   ?   361.168   21.656 0.000000 21.65574 
1 1 1   30   26    2 o  149.764   17.299  9366.79  2064.97   0.0000   0.0000  9366.79  2064.97  ?   ?   149.764   17.299 0.000000 17.29942 
1 1 1   30   26    3 o  253.143   18.410 26643.03  3758.23   0.0000   0.0000 26643.03  3758.23  ?   ?   253.143   18.410 0.000000 18.41040 
1 1 1   30   26    4 o   75.576   19.463  2461.30  1201.57  4118.35  3127.50  2174.36  1301.46   99.150   33.103   71.546   21.017 27.60468 39.21146 
1 1 1   30   26    5 o  199.017   15.717 16450.18  2519.16 15310.08  5024.25 16833.06  2911.60  184.233   34.863  200.620   18.068 -16.38647 39.26704 
1 1 1   30   26    6 o  198.247   8.8778 16054.43  1429.06 28579.43  4414.20 14588.00  1510.41  260.063   21.086  188.582   9.8986 71.48108 23.29367 
1 1 1   30   26    7 o  227.444   12.051 21331.88  2217.68 24678.08  5720.81 20740.11  2405.80  235.385   30.660  223.883   13.294 11.50244 33.41801 
1 1 1   30   26    8 o   13.333   6.3783 -272.0250  195.551 -4170.8501  3443.16 -259.4084  195.867   55.713   26.681   13.510   6.4409 42.20261 27.44776 
1 1 1   30   26    9 o   85.953   10.829  3085.25  738.979  5424.72  3916.95  2998.91  752.492  108.351   37.042   84.635   11.227 23.71588 38.70600 
1 1 1   30   26   10 o  171.605   11.229 12197.30  1556.04 22133.30  5100.73 11177.75  1633.92  220.506   29.208  163.896   12.369 56.60968 31.71864 
1 1 1   30   26   11 o  307.681   14.346 39573.78  3584.03 51150.84  8326.20 36940.82  3970.73  331.439   31.310  295.408   16.622 36.03101 35.44833 
1 1 1   30   26   12 o   91.158   13.555  3542.85  972.754  4684.36  4753.79  3492.96  993.783  101.398   39.711   90.365   13.997 11.03381 42.10517 
1 1 1   30   26   13 o  124.302   12.845  6528.48  1277.71 -3294.9590  5539.56  7080.46  1313.11   73.248   34.728  129.575   12.642 -56.32708 36.95781 
1 1 1   30   26   14 o   47.132   17.628  779.032  908.788  1428.81  5325.79  759.544  922.315   84.647   37.841   47.024   17.725 37.62376 41.78691 
1 1 1   30   26   15 o   98.702   16.519  4323.73  1277.06 15587.45  6186.72  3822.43  1305.17  152.323   46.086   91.906   18.134 60.41763 49.52512 
1 1 1   30   26   16 o  100.992   16.509  4583.37  1306.95   0.0000   0.0000  4583.37  1306.95  ?   ?   100.992   16.509 0.000000 16.50855 
1 1 1   30   26   17 o   46.295   18.416  701.592  1037.09   0.0000   0.0000  701.592  1037.09  ?   ?    46.295   18.416 0.000000 18.41591 
1 1 1   30   26   18 o   36.687   16.640 -286.1365  1072.74   0.0000   0.0000 -286.1365  1072.74  ?   ?    36.687   16.640 0.000000 16.63988 
1 1 1   30   28    0 o  219.933   27.955 21146.35  4879.44   0.0000   0.0000 21146.35  4879.44  ?   ?   219.933   27.955 0.000000 27.95548 
1 1 1   30   28    1 o  225.952   27.418 22266.75  4927.19   0.0000   0.0000 22266.75  4927.19  ?   ?   225.952   27.418 0.000000 27.41786 
1 1 1   30   28    2 o  105.404   27.678  4977.33  2399.08   0.0000   0.0000  4977.33  2399.08  ?   ?   105.404   27.678 0.000000 27.67756 
1 1 1   30   28    3 o  372.302   33.563 62324.00 10036.98   0.0000   0.0000 62324.00 10036.98  ?   ?   372.302   33.563 0.000000 33.56321 
1 1 1   30   28    4 o  220.051   19.806 20545.67  3500.99 26180.98  6051.70 17710.91  4292.16  241.106   31.679  200.502   27.055 40.60321 41.65999 
1 1 1   30   28    5 o  165.720   17.442 11615.29  2311.70 12764.79  4919.53 11289.54  2618.84  162.952   37.897  162.213   20.330 0.7391510 43.00581 
1 1 1   30   28    6 o  188.296   9.6500 14581.66  1470.44 22569.40  4686.44 13709.41  1548.65  226.225   25.985  182.344   10.504 43.88086 28.02761 
1 1 1   30   28    7 o  105.631   9.0234  4607.09  766.500 13076.26  4182.56  4312.77  779.704  167.449   31.928  102.079   9.5168 65.37006 33.31599 
1 1 1   30   28    8 o  276.003   13.512 31677.89  3028.22 39029.45  7667.86 30319.44  3296.15  288.373   33.364  268.811   15.163 19.56235 36.64801 
1 1 1   30   28    9 o  206.790   12.105 17789.56  2023.67 19270.27  6460.02 17628.44  2130.93  191.674   42.612  205.543   12.832 -13.86923 44.50205 
1 1 1   30   28   10 f  131.472   11.184  7207.98  1182.59  9634.51  5539.23  7092.10  1210.50  131.514   44.054  130.286   11.563 1.228149 45.54647 
1 1 1   30   28   11 o  105.714   12.501  4724.52  1052.29  3945.93  4752.65  4764.66  1079.07   95.961   38.986  106.073   12.786 -10.11214 41.02936 
1 1 1   30   28   12 o  215.913   13.548 19711.71  2363.04 18084.78  6973.21 19922.78  2511.66  169.227   48.343  216.538   14.367 -47.31099 50.43242 
1 1 1   30   28   13 o  122.142   13.226  6372.75  1290.70 11691.84  5623.11  6076.92  1326.11  134.925   44.357  118.893   14.005 16.03128 46.51543 
1 1 1   30   28   14 o   99.335   15.597  4360.15  1216.59   0.0000   0.0000  4360.15  1216.59  ?   ?    99.335   15.597 0.000000 15.59740 
1 1 1   30   28   15 o  121.946   15.892  6636.46  1536.17   0.0000   0.0000  6636.46  1536.17  ?   ?   121.946   15.892 0.000000 15.89204 
1 1 1   30   28   16 o   72.257   19.019  2530.61  1131.08   0.0000   0.0000  2530.61  1131.08  ?   ?    72.257   19.019 0.000000 19.01911 
1 1 1   30   28   17 o   50.565   21.780  683.741  1621.27   0.0000   0.0000  683.741  1621.27  ?   ?    50.565   21.780 0.000000 21.78018 
1 1 1   30   30    0 o  350.404   23.653 53426.20  6690.28   0.0000   0.0000 53426.20  6690.28  ?   ?   350.404   23.653 0.000000 23.65299 
1 1 1   30   30    1 o   49.170   20.519  308.994  1364.16   0.0000   0.0000  308.994  1364.16  ?   ?    49.170   20.519 0.000000 20.51892 
1 1 1   30   30    2 o  204.079   19.846 17871.96  3246.94   0.0000   0.0000 17871.96  3246.94  ?   ?   204.079   19.846 0.000000 19.84565 
1 1 1   30   30    3 o  144.078   21.814  9097.52  2472.10   0.0000   0.0000  9097.52  2472.10  ?   ?   144.078   21.814 0.000000 21.81397 
1 1 1   30   30    4 o   72.361   24.605  2196.86  1728.15   0.0000   0.0000  2196.86  1728.15  ?   ?    72.361   24.605 0.000000 24.60495 
1 1 1   30   30    5 o  158.127   19.123 10795.98  2405.40 13427.36  5742.12 10235.96  2649.02  159.047   43.300  152.471   22.037 6.575974 48.58521 
1 1 1   30   30    6 o   58.121   23.783  741.059  1784.66  6676.16  4440.50 -402.3081  1948.99  115.001   39.439   51.963   23.083 63.03813 45.69702 
1 1 1   30   30    7 o  193.719   9.9388 15512.67  1558.05 30650.04  5606.40 14245.75  1621.94  259.229   27.033  185.307   10.827 73.92157 29.12070 
1 1 1   30   30    8 o  200.185   13.184 16819.98  2131.01 17130.36  6603.96 16783.90  2251.45  172.673   46.197  199.565   13.983 -26.89183 48.26695 
1 1 1   30   30    9 o  134.493   11.554  7578.62  1249.53 12159.79  5769.62  7353.18  1279.91  143.656   44.700  132.286   12.048 11.36960 46.29524 
1 1 1   30   30   10 o  104.483   11.593  4606.85  966.935 14707.39  6682.45  4390.85  977.219  150.636   48.268  101.821   12.054 48.81575 49.75072 
1 1 1   30   30   11 o   43.436   14.715  762.458  618.042 -8359.1641  6575.12  843.770  620.790   67.432   33.276   45.028   14.735 22.40423 36.39217 
1 1 1   30   30   12 o   75.417   15.764  2541.14  934.241 -52.5916  6035.71  2604.80  945.638   79.865   37.359   76.377   15.771 3.488541 40.55172 
1 1 1   30   30   13 o   78.609   16.733  2814.14  1035.28   0.0000   0.0000  2814.14  1035.28  ?   ?    78.609   16.733 0.000000 16.73325 
1 1 1   30   30   14 o  157.618   14.443 10956.05  1827.93   0.0000   0.0000 10956.05  1827.93  ?   ?   157.618   14.443 0.000000 14.44348 
1 1 1   30   30   15 f  130.106   16.423  7808.87  1696.31   0.0000   0.0000  7808.87  1696.31  ?   ?   130.106   16.423 0.000000 16.42306 
1 1 1   30   30   16 o   48.005   20.685  595.530  1463.40   0.0000   0.0000  595.530  1463.40  ?   ?    48.005   20.685 0.000000 20.68510 
1 1 1   30   32    0 o   60.112   23.330  1169.84  1629.46   0.0000   0.0000  1169.84  1629.46  ?   ?    60.112   23.330 0.000000 23.33017 
1 1 1   30   32    1 o  155.569   23.319 10864.61  2854.84   0.0000   0.0000 10864.61  2854.84  ?   ?   155.569   23.319 0.000000 23.31918 
1 1 1   30   32    2 o  149.789   25.179 10247.28  2953.73   0.0000   0.0000 10247.28  2953.73  ?   ?   149.789   25.179 0.000000 25.17905 
1 1 1   30   32    3 f  133.512   27.097  8338.92  2837.15   0.0000   0.0000  8338.92  2837.15  ?   ?   133.512   27.097 0.000000 27.09710 
1 1 1   30   32    4 o  133.786   29.429  8593.71  3109.97   0.0000   0.0000  8593.71  3109.97  ?   ?   133.786   29.429 0.000000 29.42893 
1 1 1   30   32    5 o  220.278   20.854 21404.14  3685.55 25917.81  7847.01 20126.64  4174.66  212.132   46.812  210.051   24.966 2.080643 53.05343 
1 1 1   30   32    6 o   89.322   26.998  3792.85  2123.91  4052.24  6235.88  3758.81  2258.98   99.602   42.807   88.827   28.022 10.77533 51.16303 
1 1 1   30   32    7 o   66.444   9.7542  1863.94  510.574 -2460.0110  6174.47  1893.72  512.329   78.043   36.902   66.995   9.7004 11.04732 38.15580 
1 1 1   30   32    8 o   96.895   10.587  3950.25  819.401  4846.40  6862.02  3937.28  825.307  100.734   44.080   96.701   10.690 4.033150 45.35803 
1 1 1   30   32    9 o   37.270   12.904  539.674  475.932  1782.91  5527.08  530.386  477.706   84.829   38.187   37.097   12.923 47.73237 40.31410 
1 1 1   30   32   10 o  115.280   11.696  5650.08  1079.62 -4264.6758  8382.46  5817.32  1088.69   79.582   38.925  117.026   11.611 -37.44350 40.61977 
1 1 1   30   32   11 o   36.425   14.667  320.244  666.157   0.0000   0.0000  320.244  666.157  ?   ?    36.425   14.667 0.000000 14.66669 
1 1 1   30   32   12 o   64.353   17.552  1937.83  942.486   0.0000   0.0000  1937.83  942.486  ?   ?    64.353   17.552 0.000000 17.55183 
1 1 1   30   32   13 o   32.401   14.884 -461.1140  894.638   0.0000   0.0000 -461.1140  894.638  ?   ?    32.401   14.884 0.000000 14.88374 
1 1 1   30   32   14 o   42.642   17.750  482.180  1017.09   0.0000   0.0000  482.180  1017.09  ?   ?    42.642   17.750 0.000000 17.74952 
1 1 1   30   34    0 o  114.399   28.002  6417.65  2580.04   0.0000   0.0000  6417.65  2580.04  ?   ?   114.399   28.002 0.000000 28.00219 
1 1 1   30   34    1 o   82.903   29.054  3232.00  2416.25   0.0000   0.0000  3232.00  2416.25  ?   ?    82.903   29.054 0.000000 29.05438 
1 1 1   30   34    2 o  161.387   27.116 12453.83  3427.30   0.0000   0.0000 12453.83  3427.30  ?   ?   161.387   27.116 0.000000 27.11607 
1 1 1   30   34    3 o   91.831   32.076  4223.51  2943.75   0.0000   0.0000  4223.51  2943.75  ?   ?    91.831   32.076 0.000000 32.07581 
1 1 1   30   34    4 o  100.791   33.604  5368.78  3223.19   0.0000   0.0000  5368.78  3223.19  ?   ?   100.791   33.604 0.000000 33.60431 
1 1 1   30   34    5 o  150.299   31.696 11629.66  3746.38   0.0000   0.0000 11629.66  3746.38  ?   ?   150.299   31.696 0.000000 31.69628 
1 1 1   30   34    6 o   72.491   28.798  2109.83  2532.86  3430.93  6721.50  1891.19  2734.43   92.668   41.876   71.986   29.445 20.68249 51.19203 
1 1 1   30   34    7 o  115.564   10.610  5634.60  984.502  6774.72  7283.47  5613.39  993.621  101.861   44.965  115.293   10.738 -13.43204 46.22882 
1 1 1   30   34    8 o   35.533   12.045  505.202  414.163   0.0000   0.0000  505.202  414.163  ?   ?    35.533   12.045 0.000000 12.04546 
1 1 1   30   34    9 o   33.329   12.485  375.903  456.220   0.0000   0.0000  375.903  456.220  ?   ?    33.329   12.485 0.000000 12.48542 
1 1 1   30   34   10 o   31.893   11.951  345.711  418.023   0.0000   0.0000  345.711  418.023  ?   ?    31.893   11.951 0.000000 11.95062 
1 1 1   30   34   11 o  140.478   13.404  8718.33  1510.36   0.0000   0.0000  8718.33  1510.36  ?   ?   140.478   13.404 0.000000 13.40397 
1 1 1   30   34   12 o   62.108   17.983  1895.95  958.961   0.0000   0.0000  1895.95  958.961  ?   ?    62.108   17.983 0.000000 17.98291 
1 1 1   30   36    0 o   46.543   21.720 -1224.1801  2020.66   0.0000   0.0000 -1224.1801  2020.66  ?   ?    46.543   21.720 0.000000 21.72031 
1 1 1   30   36    1 o  124.252   31.932  8429.31  3239.01   0.0000   0.0000  8429.31  3239.01  ?   ?   124.252   31.932 0.000000 31.93169 
1 1 1   30   36    2 o   40.598   19.888 -3487.8059  2213.98   0.0000   0.0000 -3487.8059  2213.98  ?   ?    40.598   19.888 0.000000 19.88825 
1 1 1   30   36    3 o  118.640   34.864  8249.16  3580.74   0.0000   0.0000  8249.16  3580.74  ?   ?   118.640   34.864 0.000000 34.86421 
1 1 1   30   36    4 f  152.195   34.341 13192.29  4142.88   0.0000   0.0000 13192.29  4142.88  ?   ?   152.195   34.341 0.000000 34.34081 
1 1 1   30   36    5 o   63.644   28.498  523.987  3033.68   0.0000   0.0000  523.987  3033.68  ?   ?    63.644   28.498 0.000000 28.49801 
1 1 1   30   36    6 o   65.381   29.307  805.759  3217.26   0.0000   0.0000  805.759  3217.26  ?   ?    65.381   29.307 0.000000 29.30655 
1 1 1   30   36    7 o   41.995   12.190  777.313  440.144   0.0000   0.0000  777.313  440.144  ?   ?    41.995   12.190 0.000000 12.18991 
1 1 1   30   36    8 o   90.772   11.162  3572.85  805.362   0.0000   0.0000  3572.85  805.362  ?   ?    90.772   11.162 0.000000 11.16218 
1 1 1   30   36    9 o   17.971   8.3940 -271.3313  302.841   0.0000   0.0000 -271.3313  302.841  ?   ?    17.971   8.3940 0.000000 8.393990 
1 1 1   30   36   10 o   58.848   14.707  1632.85  700.801   0.0000   0.0000  1632.85  700.801  ?   ?    58.848   14.707 0.000000 14.70740 
1 1 1   30   38    0 o   57.419   26.262   74.597  2743.82   0.0000   0.0000   74.597  2743.82  ?   ?    57.419   26.262 0.000000 26.26160 
1 1 1   30   38    1 o   76.002   31.416  3250.20  3154.59   0.0000   0.0000  3250.20  3154.59  ?   ?    76.002   31.416 0.000000 31.41569 
1 1 1   30   38    2 o   62.637   28.655  596.056  3269.42   0.0000   0.0000  596.056  3269.42  ?   ?    62.637   28.655 0.000000 28.65481 
1 1 1   30   38    3 o   56.573   26.931 -1206.2670  3397.97   0.0000   0.0000 -1206.2670  3397.97  ?   ?    56.573   26.931 0.000000 26.93101 
1 1 1   30   38    4 o  107.780   37.497  8938.48  4021.01   0.0000   0.0000  8938.48  4021.01  ?   ?   107.780   37.497 0.000000 37.49710 
1 1 1   30   38    5 o   58.400   27.696 -493.3731  3527.85   0.0000   0.0000 -493.3731  3527.85  ?   ?    58.400   27.696 0.000000 27.69615 
1 1 1   30   38    6 o   62.077   28.549  1108.26  3304.24   0.0000   0.0000  1108.26  3304.24  ?   ?    62.077   28.549 0.000000 28.54855 
1 1 1   30   38    7 o   28.382   10.372  296.877  311.385   0.0000   0.0000  296.877  311.385  ?   ?    28.382   10.372 0.000000 10.37166 
1 1 1   30   40    0 o   65.623   30.723  2579.06  4096.81   0.0000   0.0000  2579.06  4096.81  ?   ?    65.623   30.723 0.000000 30.72333 
1 1 1   30   40    1 o   62.510   29.546  1660.98  3950.91   0.0000   0.0000  1660.98  3950.91  ?   ?    62.510   29.546 0.000000 29.54561 
1 1 1   30   40    2 o   76.069   33.902  5638.37  4239.50   0.0000   0.0000  5638.37  4239.50  ?   ?    76.069   33.902 0.000000 33.90175 
1 1 1   30   40    3 o   81.370   35.964  7708.17  4673.36   0.0000   0.0000  7708.17  4673.36  ?   ?    81.370   35.964 0.000000 35.96357 
1 1 1   31    1    0 o  938.676   45.288 362309.41 34517.64 371018.81 48811.48 353597.31 48819.16  941.875   64.208  918.689   65.884 23.18579 91.99611 
1 1 1   31    1    1 o  380.473   13.658 58835.46  4219.34 58459.31  5958.73 59213.71  5975.40  378.542   19.452  380.989   19.380 -2.447266 27.45859 
1 1 1   31    1    2 o  1208.71   40.791 598730.19 40033.40 596149.38 56607.31 601312.81 56624.25  1200.35   58.080  1205.63   57.843 -5.279297 81.96976 
1 1 1   31    1    3 o  876.842   29.910 313662.41 21294.91 318305.41 30109.91 309015.81 30121.19  881.217   42.081  868.134   42.731 13.08331 59.97331 
1 1 1   31    1    4 o  273.261   10.562 30333.94  2343.40 31169.00  3308.81 29493.54  3319.36  276.522   14.790  268.928   15.264 7.594055 21.25444 
1 1 1   31    1    5 o  254.526   9.4857 26314.95  1960.37 27570.33  2769.63 25054.57  2775.14  260.131   13.155  247.896   13.843 12.23466 19.09662 
1 1 1   31    1    6 o  1401.68   48.298 810814.31 54968.81 824510.69 77741.86 797120.81 77733.41  1402.14   68.285  1376.11   69.798 26.03528 97.64494 
1 1 1   31    1    7 o  850.216   33.530 296663.09 23147.15 296128.31 40032.83 296931.69 28370.35  838.086   59.210  848.282   41.189 -10.19556 72.12737 
1 1 1   31    1    8 o  388.709   15.614 61539.53  4928.04 62574.78  6056.55 59511.35  8477.25  391.659   19.045  379.972   27.667 11.68658 33.58805 
1 1 1   31    1    9 o  458.731   15.433 85767.27  5748.44 88238.76  8137.50 83305.46  8121.55  464.430   21.579  451.166   22.170 13.26459 30.93803 
1 1 1   31    1   10 o  391.846   13.404 62540.19  4264.81 61760.90  6040.48 63314.79  6022.26  388.739   19.137  393.639   18.842 -4.899841 26.85593 
1 1 1   31    1   11 o   43.564   11.738  798.618  424.579  485.091  524.125  1397.08  724.130   37.625   13.497   57.515   15.256 -19.89059 20.36932 
1 1 1   31    1   12 o  251.211   11.385 25697.73  2322.22 27024.56  4117.91 25079.02  2812.01  256.063   19.964  247.581   14.046 8.481369 24.40969 
1 1 1   31    1   13 o  783.924   31.350 256075.59 19954.84 255126.91 34656.98 256546.09 24406.50  759.139   56.633  779.522   38.560 -20.38269 68.51395 
1 1 1   31    1   14 o   91.875   19.061  3591.40  1375.34  3591.40  1375.34   0.0000   0.0000   91.875   19.061  ?   ?  0.000000 19.06104 
1 1 1   31    1   15 o  246.018   14.333 24850.60  2850.73 24850.60  2850.73   0.0000   0.0000  246.018   14.333  ?   ?  0.000000 14.33299 
1 1 1   31    1   16 o  216.751   13.597 19340.33  2380.96 20127.56  3257.91 18437.84  3488.25  219.894   18.416  209.690   20.760 10.20340 27.75168 
1 1 1   31    1   17 o  317.435   14.343 41572.88  3696.77 42260.89  6291.68 41210.12  4568.56  314.228   24.862  314.143   17.986 0.8520508E-01 30.68586 
1 1 1   31    1   18 o   69.213   11.407  2020.64  618.704  1566.86  833.270  2578.19  923.651   60.312   16.526   77.506   15.220 -17.19402 22.46686 
1 1 1   31    1   19 o   50.469   14.599  1086.38  632.305  782.578  886.889  1400.44  901.724   47.541   17.484   57.423   17.639 -9.881489 24.83614 
1 1 1   31    1   20 o   40.634   14.419  609.978  596.615   49.807  891.416  1064.51  802.979   38.227   16.300   50.900   16.763 -12.67280 23.38161 
1 1 1   31    1   21 o  133.472   19.659  7919.81  2066.72  5901.61  3860.45  8730.64  2446.91  105.771   36.744  138.464   22.540 -32.69264 43.10641 
1 1 1   31    1   22 o   92.530   11.579  3647.71  850.909  3677.37  1229.88  3620.48  1178.50   90.425   17.382   90.007   16.742 0.4182358 24.13350 
1 1 1   31    1   23 o  115.654   11.296  5723.98  1047.24  5557.56  1437.20  5912.36  1529.11  110.900   16.460  114.044   17.035 -3.143509 23.68823 
1 1 1   31    1   24 o   43.912   15.745  812.295  713.111  881.240  962.804  728.511  1061.37   47.042   18.019   46.112   18.532 0.9301453 25.84829 
1 1 1   31    3    0 o  210.161   12.355 18010.00  2099.01 17367.65  2963.84 18656.35  2973.08  205.856   17.910  213.476   17.301 -7.619919 24.90189 
1 1 1   31    3    1 o  500.546   19.754 101949.80  8028.46 105014.00  9829.46 95808.60 13915.23  507.749   23.842  482.693   35.759 25.05603 42.97815 
1 1 1   31    3    2 o  911.312   30.768 338945.50 22766.74 345662.00 32170.85 332207.19 32223.28  917.965   43.162  899.717   44.109 18.24841 61.71319 
1 1 1   31    3    4 o  1627.73   64.451 1100502.00 85182.34 1067127.00 147613.30 1117164.00 104300.80  1559.12  117.465  1630.94   78.761 -71.82214 141.4262 
1 1 1   31    3    5 o  628.750   21.567 160952.50 11010.57 156611.20 15572.00 165293.09 15570.59  618.499   31.107  636.312   30.137 -17.81348 43.31117 
1 1 1   31    3    6 o  527.597   21.250 113393.70  9103.42 125843.00 15704.32 107093.40 11171.94  553.093   35.151  511.497   26.995 41.59589 44.32124 
1 1 1   31    3    7 o  894.335   29.849 327722.50 21675.34 344123.69 30670.70 311358.00 30636.44  912.589   41.391  866.159   43.702 46.43018 60.19259 
1 1 1   31    3    8 o  447.286   18.018 81589.39  6543.85 86859.23  8037.52 71228.18 11270.12  461.070   21.469  414.275   33.799 46.79520 40.04115 
1 1 1   31    3    9 o  432.011   17.156 76144.75  6018.01 87150.23 10543.29 70826.42  7329.25  459.373   28.406  415.466   21.802 43.90720 35.80838 
1 1 1   31    3   10 o  417.012   16.987 70977.79  5751.68 70696.04 10076.95 71113.92  7004.80  412.751   30.279  416.875   20.694 -4.124634 36.67535 
1 1 1   31    3   11 o  616.985   24.607 156491.30 12327.56 164023.20 21483.81 152794.00 15052.13  622.599   42.757  606.853   30.647 15.74609 52.60569 
1 1 1   31    3   12 o  478.901   23.277 94306.82  9051.33 103967.40 12939.25 85049.73 12666.15  499.034   32.103  449.999   34.939 49.03555 47.44873 
1 1 1   31    3   13 o  447.723   18.267 82123.59  6640.88 85359.29  8168.91 75817.80 11403.80  455.509   22.087  424.556   33.349 30.95297 39.99986 
1 1 1   31    3   14 o  280.783   10.709 32124.22  2441.52 33387.66  3478.72 30897.71  3427.51  285.354   15.067  274.407   15.446 10.94714 21.57792 
1 1 1   31    3   15 o  399.467   14.408 65323.01  4673.45 67545.11  6631.91 63131.02  6586.82  404.602   20.187  390.424   20.853 14.17798 29.02372 
1 1 1   31    3   16 o  308.875   14.151 39173.89  3548.98 40484.71  4331.34 36495.93  6190.89  312.740   17.122  293.073   26.296 19.66699 31.37865 
1 1 1   31    3   17 o  110.818   10.976  5082.19  974.640  4540.87  1163.44  6356.04  1784.74  104.012   14.143  122.158   18.579 -18.14536 23.34947 
1 1 1   31    3   18 o  306.650   17.448 39509.42  4326.34 40567.40  5918.97 38295.81  6339.37  306.223   23.997  295.327   26.726 10.89542 35.91863 
1 1 1   31    3   19 o  114.097   10.331  5400.86  946.717  5051.49  1451.35  5659.61  1249.04  108.339   17.063  115.963   13.519 -7.624390 21.76962 
1 1 1   31    3   20 o  230.469   10.665 21963.28  1995.80 16477.29  2801.57 27616.27  2843.89  195.784   17.818  256.591   13.700 -60.80692 22.47591 
1 1 1   31    3   21 o   50.599   14.677  1110.96  638.290  1145.80  811.682  1054.50  1033.26   52.035   16.838   52.407   18.932 -0.3725128 25.33686 
1 1 1   31    3   22 o   79.257   12.596  2715.06  783.492  1891.04  1014.41  3933.46  1233.50   64.390   18.453   93.811   16.811 -29.42147 24.96234 
1 1 1   31    3   23 o  132.103   10.266  7396.60  1092.54  7764.17  1487.40  6965.93  1610.03  133.047   13.977  124.310   16.347 8.737259 21.50827 
1 1 1   31    3   24 o   47.204   15.276  1013.60  668.059  877.000  856.300  1226.07  1067.93   46.021   17.132   52.204   19.188 -6.182220 25.72280 
1 1 1   31    5    0 o  918.473   64.101 352269.50 47504.84   0.0000   0.0000 352269.50 47504.84  ?   ?   918.473   64.101 0.000000 64.10100 
1 1 1   31    5    1 o  361.258   18.683 53229.93  5461.67 54746.05  7769.02 51748.47  7679.68  365.561   26.351  355.300   26.818 10.26059 37.59706 
1 1 1   31    5    2 o  827.024   28.275 278909.19 18987.31 280977.81 26822.62 276831.31 26881.70  828.281   39.883  822.076   40.272 6.204895 56.67882 
1 1 1   31    5    3 o  258.806   9.7477 27207.32  2048.41 27787.37  2882.97 26615.93  2911.00  261.128   13.645  255.517   14.085 5.611588 19.61040 
1 1 1   31    5    4 o  229.101   9.1961 21319.53  1710.68 24107.38  2422.98 18548.72  2415.56  243.261   12.307  213.164   14.035 30.09700 18.66637 
1 1 1   31    5    5 o  637.337   25.559 165635.20 13226.82 197065.91 22846.57 149789.50 16221.87  691.664   40.862  604.287   33.188 87.37665 52.64191 
1 1 1   31    5    6 o  281.329   10.359 32161.89  2366.41 35693.18  3365.40 28708.43  3328.11  296.257   13.990  265.190   15.524 31.06717 20.89787 
1 1 1   31    5    7 o  744.577   29.169 227313.41 17634.62 240810.50 30684.89 220657.20 21548.62  757.586   50.167  731.628   36.274 25.95831 61.90728 
1 1 1   31    5    8 o   98.796   7.4580  3988.57  593.870  4098.85  1143.27  3947.81  694.988   99.266   14.622   98.159   8.8138 1.107262 17.07333 
1 1 1   31    5    9 o  314.980   15.674 40450.50  4008.57 49944.85  5802.81 31784.23  5543.98  348.870   20.576  277.234   24.894 71.63556 32.29670 
1 1 1   31    5   10 o  386.081   20.500 61170.59  6403.35 61170.59  6403.35   0.0000   0.0000  386.081   20.500  ?   ?  0.000000 20.49980 
1 1 1   31    5   11 o  241.000   10.870 23640.04  2127.01 22952.07  2632.60 24933.48  3609.70  236.894   13.746  246.288   18.179 -9.394150 22.79074 
1 1 1   31    5   12 o   46.017   12.000  894.551  453.005  1032.26  956.470  854.729  514.353   52.883   18.294   45.356   13.181 7.527733 22.54814 
1 1 1   31    5   13 o  438.101   15.453 78448.13  5497.01 83090.41  7811.92 73895.02  7736.52  449.493   21.404  423.005   22.607 26.48822 31.13197 
1 1 1   31    5   14 o  440.577   15.612 79442.01  5585.00 85408.45  7937.22 73590.95  7860.11  455.196   21.475  421.456   23.056 33.74042 31.50809 
1 1 1   31    5   15 o  215.424   9.2106 18908.80  1611.09 18144.68  2304.73 19639.01  2252.99  210.156   13.579  218.823   12.735 -8.666702 18.61667 
1 1 1   31    5   16 o   43.230   13.103  771.150  499.760  2116.69  732.341 -401.5866  683.699   70.712   13.242   29.227   13.267 41.48497 18.74452 
1 1 1   31    5   17 o  418.597   14.913 72492.11  5068.60 77679.38  7215.25 67438.28  7121.84  429.625   20.683  398.795   22.080 30.82950 30.25450 
1 1 1   31    5   18 o  107.372   11.108  4791.89  954.450  6772.96  1141.83  197.341  1738.89  127.842   11.110   53.765   22.842 74.07613 25.40049 
1 1 1   31    5   19 o  197.276   11.353 16126.53  1810.91 15636.77  2188.01 17191.59  3226.62  193.217   14.043  199.483   20.199 -6.266495 24.60073 
1 1 1   31    5   20 o  202.021   11.051 16957.11  1805.85 16108.66  2841.56 17531.96  2338.92  193.073   18.346  203.920   14.215 -10.84697 23.20881 
1 1 1   31    5   21 o  119.947   10.201  6010.63  984.090  5648.90  1412.39  6351.93  1371.92  114.123   15.655  121.805   14.134 -7.681526 21.09130 
1 1 1   31    5   22 o   47.397   15.023  966.818  648.711  856.761  853.794  1117.12  997.772   47.215   17.186   52.324   18.638 -5.109528 25.35258 
1 1 1   31    5   23 o  129.226   10.351  7095.95  1077.01  6511.00  1441.85  7834.26  1619.87  120.865   15.016  132.445   15.347 -11.58026 21.47109 
1 1 1   31    5   24 o   95.666   12.022  4045.99  913.247  3602.76  1170.58  4735.35  1459.85   86.646   17.245   98.095   19.015 -11.44959 25.67007 
1 1 1   31    7    0 o  423.473   30.599 73570.63 10450.51   0.0000   0.0000 73570.63 10450.51  ?   ?   423.473   30.599 0.000000 30.59901 
1 1 1   31    7    1 o  728.785   34.956 217126.09 20685.30 240738.91 29306.22 193682.59 29200.93  763.754   47.492  683.303   53.047 80.45081 71.20069 
1 1 1   31    7    2 o  549.062   26.919 122899.70 12000.90 127332.30 17018.53 118515.50 16925.52  556.491   37.889  536.560   39.119 19.93054 54.46014 
1 1 1   31    7    3 o  350.486   17.845 50095.35  5061.71   0.0000   0.0000 50095.35  5061.71  ?   ?   350.486   17.845 0.000000 17.84542 
1 1 1   31    7    4 o  1042.84   39.540 446109.91 33480.16 525735.50 58129.78 406584.69 40955.28  1121.03   64.129  990.914   51.076 130.1105 81.98307 
1 1 1   31    7    5 o  619.883   25.142 156800.00 12654.44 147080.30 22069.82 161560.80 15445.65  595.124   46.030  628.504   30.266 -33.38068 55.08933 
1 1 1   31    7    6 o  514.631   24.979 108239.30 10437.99 119885.70 14847.86 96859.78 14676.72  539.038   34.100  483.396   37.691 55.64246 50.82689 
1 1 1   31    7    7 o  529.007   22.426 114401.30  9632.92 121158.50 11804.22 100930.30 16666.82  543.617   26.743  490.934   42.222 52.68396 49.97863 
1 1 1   31    7    8 o  942.575   36.495 368684.31 27930.98 395989.69 34222.11 314205.09 48338.99  972.544   43.337  842.557   71.327 129.9868 83.46075 
1 1 1   31    7    9 o  361.142   19.431 53465.68  5677.01 53465.68  5677.01   0.0000   0.0000  361.142   19.431  ?   ?  0.000000 19.43140 
1 1 1   31    7   10 o  290.734   11.343 34405.43  2677.67 32675.95  3815.27 36084.22  3758.95  282.418   16.712  296.989   15.643 -14.57120 22.89106 
1 1 1   31    7   11 o  341.262   12.713 47454.49  3522.67 48074.13  5016.54 46851.71  4947.77  342.370   18.110  337.981   18.095 4.389069 25.60073 
1 1 1   31    7   12 o  244.197   9.0641 24261.24  1797.24 24037.32  2576.97 24473.30  2507.80  242.432   13.140  244.691   12.666 -2.258133 18.25064 
1 1 1   31    7   13 o  621.157   21.610 158825.70 10899.44 160865.59 15460.47 156810.00 15368.21  620.821   30.670  612.041   31.026 8.780823 43.62663 
1 1 1   31    7   14 o  145.398   7.8381  8626.31  921.935  9361.40  1319.03  7924.18  1289.11  151.154   10.819  138.909   11.534 12.24541 15.81365 
1 1 1   31    7   15 o  217.649   9.3273 19310.48  1648.36 18341.29  2365.80 20224.87  2297.94  211.154   13.876  221.983   12.803 -10.82925 18.88050 
1 1 1   31    7   16 o   30.924   11.520  298.105  387.322  411.425  535.588  173.870  560.793   36.289   13.541   32.865   13.377 3.423405 19.03390 
1 1 1   31    7   17 o  123.815   8.3805  6292.17  837.560  6566.18  1216.39  6045.13  1154.97  125.782   12.058  120.668   11.945 5.114120 16.97269 
1 1 1   31    7   18 o  183.554   8.9897 13806.03  1339.82 13500.94  1928.03 14090.96  1863.22  180.076   13.280  184.236   12.530 -4.160629 18.25789 
1 1 1   31    7   19 o  112.604   9.7047  5253.89  878.645  5808.85  1217.07  4649.81  1269.79  117.553   12.967  104.241   15.472 13.31171 20.18691 
1 1 1   31    7   20 o   64.262   15.679  1815.78  810.864  2373.10  919.793 -127.9815  1717.75   73.535   15.870   50.191   22.007 23.34407 27.13212 
1 1 1   31    7   21 o   19.766   9.6338 -886.9148  500.542 -820.9673  530.800 -1416.3850  1504.02   21.133   10.210   38.788   18.301 -17.65540 20.95698 
1 1 1   31    7   22 o  112.002   11.283  5332.18  1012.15  6639.03  1390.56  3859.68  1476.06  123.619   14.106   90.528   20.551 33.09059 24.92633 
1 1 1   31    7   23 o   26.820   12.004 -175.0107  537.624   76.184  641.238 -769.4194  986.409   32.342   13.809   32.185   15.071 0.1575470 20.44016 
1 1 1   31    9    0 o  425.681   30.856 74377.63 10592.73   0.0000   0.0000 74377.63 10592.73  ?   ?   425.681   30.856 0.000000 30.85633 
1 1 1   31    9    1 o  634.182   30.841 164247.91 15881.32 173007.41 22520.31 155582.30 22399.34  647.687   43.068  613.538   45.283 34.14911 62.49318 
1 1 1   31    9    2 o  388.079   20.002 61464.42  6281.31 62021.04  8931.77 60919.76  8835.26  388.800   28.491  385.320   28.441 3.480225 40.25674 
1 1 1   31    9    3 o  435.645   21.964 77511.66  7744.40 81376.38 11011.47 73729.03 10893.93  445.174   30.650  423.430   31.921 21.74442 44.25326 
1 1 1   31    9    4 o   91.540   10.005  3445.45  731.539  3410.44  1133.25  3470.46  957.835   90.211   16.060   91.437   13.290 -1.226112 20.84596 
1 1 1   31    9    5 o  574.499   24.955 134889.50 11641.03 142355.50 14236.14 119823.30 20223.12  588.601   29.885  535.047   47.027 53.55420 55.71983 
1 1 1   31    9    6 f  190.873   9.8951 14850.02  1528.31 17137.46  1859.35 10085.82  2683.38  204.978   11.214  155.631   21.836 49.34737 24.54694 
1 1 1   31    9    7 o   83.135   6.0715  2822.61  407.014  2743.55  560.280  2910.95  592.260   81.710   8.5726   84.167   8.7962 -2.456818 12.28261 
1 1 1   31    9    8 o  317.813   14.448 41159.55  3728.28 42880.87  4592.06 37830.39  6386.22  323.639   17.540  302.297   26.279 21.34164 31.59526 
1 1 1   31    9    9 o  587.540   21.337 141392.91 10179.05 135331.50 12476.81 153457.20 17602.27  573.350   26.801  606.232   35.920 -32.88196 44.81620 
1 1 1   31    9   10 o  574.698   19.656 135210.59  9172.12 134216.00 13006.63 136194.50 12936.34  570.114   28.097  574.424   27.736 -4.310547 39.48077 
1 1 1   31    9   11 o  293.799   10.878 35144.89  2595.12 32060.61  3696.90 38141.18  3643.78  279.634   16.353  305.705   14.680 -26.07010 21.97538 
1 1 1   31    9   12 o  364.554   13.568 54231.51  4016.15 53507.04  5725.85 54933.06  5634.64  360.591   19.630  365.519   19.051 -4.928619 27.35501 
1 1 1   31    9   13 f  163.260   8.0737 10843.67  1070.27 10505.98  1518.52 11177.00  1508.70  160.085   11.765  165.202   11.316 -5.117355 16.32337 
1 1 1   31    9   14 o  322.773   11.949 42534.65  3131.52 41923.22  4478.56 43119.55  4380.35  318.999   17.356  323.699   16.723 -4.699738 24.10160 
1 1 1   31    9   15 o  305.303   11.432 38110.93  2833.99 36243.23  4056.41 39891.84  3961.02  296.019   16.947  310.993   15.737 -14.97366 23.12720 
1 1 1   31    9   16 o   70.994   9.8286  2099.73  551.368  3692.75  773.243  451.923  786.428   94.449   10.247   41.577   16.188 52.87226 19.15860 
1 1 1   31    9   17 o   66.053   10.078  1828.98  523.367  2387.64  699.548  1118.73  788.764   75.292   11.833   52.138   16.570 23.15380 20.36156 
1 1 1   31    9   18 o  290.954   11.258 34909.53  2659.58 36000.61  3829.12 33892.55  3696.80  292.659   16.177  283.984   16.098 8.674713 22.82200 
1 1 1   31    9   19 o  150.671   9.5205  9379.86  1158.75  8832.82  1607.92  9970.90  1671.36  144.792   13.845  154.044   13.499 -9.252045 19.33677 
1 1 1   31    9   20 o   49.883   13.982  1078.49  589.100  1126.22  734.804  992.631  985.590   51.359   15.948   51.209   18.492 0.1498833 24.41870 
1 1 1   31    9   21 o  176.339   10.436 13000.04  1487.54 13600.43  2081.78 12373.69  2126.32  178.015   14.529  169.010   15.673 9.004883 21.37143 
1 1 1   31    9   22 o  167.329   12.308 11978.10  1660.47 12734.31  1933.75  9855.40  3239.84  171.273   14.028  135.622   30.197 35.65083 33.29595 
1 1 1   31    9   23 o   84.866   14.694  3268.41  975.875  3306.57  1061.48  3060.01  2480.42   84.547   16.049   74.217   28.790 10.33036 32.96122 
1 1 1   31   11    0 o  497.260   35.651 101863.50 14298.69   0.0000   0.0000 101863.50 14298.69  ?   ?   497.260   35.651 0.000000 35.65055 
1 1 1   31   11    1 o  569.277   28.087 132393.50 12982.79 135463.70 18432.20 129370.70 18289.52  572.698   39.887  559.453   40.537 13.24493 56.87054 
1 1 1   31   11    2 o  374.548   19.378 57292.29  5873.12 64011.90  8367.08 50765.81  8245.96  395.038   26.235  351.127   29.187 43.91110 39.24469 
1 1 1   31   11    3 o  152.744   8.9526  9512.05  1105.49 10026.68  2113.13  9318.12  1297.15  156.017   16.954  151.039   10.645 4.977539 20.01859 
1 1 1   31   11    4 o  320.092   13.267 41683.66  3448.25 48163.43  6148.85 38710.92  4164.78  342.721   22.216  307.827   16.726 34.89401 27.80797 
1 1 1   31   11    5 o  615.137   23.815 154861.41 11894.66 180872.30 20797.79 142217.91 14500.20  659.283   39.025  587.225   30.516 72.05768 49.53990 
1 1 1   31   11    6 o  322.552   16.939 42554.39  4420.71 43631.31  6462.48 41607.27  6060.52  325.290   24.651  317.810   23.655 7.480164 34.16462 
1 1 1   31   11    7 o  590.467   23.487 142953.20 11260.36 152637.50 13817.97 123808.90 19428.09  608.894   27.949  540.970   44.629 67.92395 52.65784 
1 1 1   31   11    8 o  462.593   15.095 87262.45  5669.73 83379.02  8028.70 91125.64  8007.75  451.080   21.921  471.767   20.905 -20.68710 30.29063 
1 1 1   31   11    9 o  427.069   14.707 74387.83  5099.92 70592.72  7228.31 78149.63  7196.54  414.398   21.557  436.830   20.290 -22.43164 29.60336 
1 1 1   31   11   10 f  182.668   7.8992 13566.80  1171.62 14083.31  1658.81 13052.64  1655.04  185.655   11.054  178.662   11.469 6.992584 15.92913 
1 1 1   31   11   11 o  189.816   8.5988 14656.55  1325.28 13944.27  1871.83 15372.49  1876.64  184.517   12.569  193.851   11.981 -9.333664 17.36446 
1 1 1   31   11   12 o  175.621   8.3777 12548.32  1194.65 11750.66  1694.57 13336.48  1684.45  169.284   12.415  180.514   11.553 -11.23042 16.95877 
1 1 1   31   11   13 o  188.855   8.4245 14516.51  1291.84 13877.97  1842.54 15133.86  1811.72  183.972   12.407  192.258   11.661 -8.286102 17.02674 
1 1 1   31   11   14 o  150.713   8.0271  9275.14  978.774  8230.48  1371.25 10360.20  1397.52  141.406   12.058  158.944   10.894 -17.53824 16.25071 
1 1 1   31   11   15 o  382.088   14.106 60039.49  4376.33 59193.84  6244.94 60855.54  6134.67  376.195   20.522  381.809   19.857 -5.613342 28.55598 
1 1 1   31   11   16 o  276.687   11.113 31419.15  2496.58 33433.79  3609.90 29572.12  3456.48  283.477   15.745  266.426   16.053 17.05081 22.48582 
1 1 1   31   11   17 o   83.176   9.1143  2867.38  605.464  4270.80  814.615  1135.20  905.012  101.529   10.012   53.255   17.807 48.27343 20.42871 
1 1 1   31   11   18 f   70.188   9.9958  2066.00  553.568  2795.68  714.015  966.582  876.444   81.602   11.061   50.140   17.503 31.46206 20.70502 
1 1 1   31   11   19 o  159.539   9.3148 10516.84  1201.40 10292.95  1629.69 10783.36  1778.07  156.569   12.935  159.906   13.831 -3.337524 18.93678 
1 1 1   31   11   20 o  128.817   9.2397  6889.85  960.009  6914.60  1271.04  6856.98  1464.80  127.935   12.391  126.493   14.525 1.441528 19.09245 
1 1 1   31   11   21 o  101.459   10.011  4329.39  813.940  3422.43  986.925  6258.19  1439.24   88.518   14.212  119.760   15.139 -31.24199 20.76472 
1 1 1   31   11   22 o   94.031   10.666  3777.91  799.911  3864.46  980.564  3605.73  1383.01   93.908   13.226   86.787   20.032 7.121033 24.00466 
1 1 1   31   11   23 o   47.984   15.770  1044.73  710.740  1005.43  747.036  1419.91  2308.21   47.429   16.177   60.703   26.065 -13.27369 30.67689 
1 1 1   31   13    0 o  595.130   29.613 145233.70 14309.78   0.0000   0.0000 145233.70 14309.78  ?   ?   595.130   29.613 0.000000 29.61303 
1 1 1   31   13    1 o  317.259   17.159 41126.43  4403.91   0.0000   0.0000 41126.43  4403.91  ?   ?   317.259   17.159 0.000000 17.15945 
1 1 1   31   13    2 o  322.354   14.990 42309.54  3923.49 37633.04  8034.31 43774.03  4496.05  300.504   33.498  327.317   16.975 -26.81274 37.55331 
1 1 1   31   13    3 o  443.988   20.605 80518.21  7428.23 62137.95 13109.05 89211.19  9015.29  384.024   42.768  466.258   23.893 -82.23386 48.98943 
1 1 1   31   13    4 o  506.033   26.542 105419.40 10867.73 94584.81 15621.56 115581.30 15128.87  474.689   40.930  527.094   35.557 -52.40512 54.21790 
1 1 1   31   13    5 f  187.530   11.410 14362.77  1729.10 16696.07  2710.43 12761.52  2245.34  201.615   16.707  176.200   15.864 25.41518 23.03929 
1 1 1   31   13    6 o  329.294   12.680 44154.44  3390.31 61581.73  6129.82 36473.83  4069.40  387.609   19.540  298.476   16.860 89.13321 25.80816 
1 1 1   31   13    7 o  250.043   11.089 25444.84  2251.34 29483.53  4151.82 23762.68  2679.49  267.828   19.220  241.091   13.745 26.73653 23.62852 
1 1 1   31   13    8 o  165.611   12.176 11230.35  1625.87 10678.07  2487.42 11642.32  2148.33  160.369   19.504  168.142   15.926 -7.773407 25.18001 
1 1 1   31   13    9 o  286.839   12.690 33530.56  2955.54 35839.06  5407.95 32547.40  3529.22  294.453   22.797  281.923   15.477 12.53006 27.55401 
1 1 1   31   13   10 o  514.259   17.188 108206.00  7177.11 105217.10 10171.97 111169.30 10128.11  504.992   24.807  519.339   24.018 -14.34775 34.52939 
1 1 1   31   13   11 o  310.241   10.137 39195.10  2553.62 36417.53  3623.54 41935.64  3599.30  298.135   15.017  320.484   13.832 -22.34900 20.41611 
1 1 1   31   13   12 o  111.010   10.002  5060.38  891.872  6449.09  1953.79  4694.84  1002.40  123.655   20.154  106.646   11.772 17.00871 23.34004 
1 1 1   31   13   13 o  270.361   11.264 29833.55  2472.69 31411.91  3523.95 28302.71  3470.49  276.281   15.774  262.063   16.392 14.21857 22.74916 
1 1 1   31   13   14 o  208.054   8.6882 17649.59  1467.72 15857.90  2079.73 19427.38  2071.64  196.244   13.128  217.580   11.770 -21.33562 17.63134 
1 1 1   31   13   15 o  181.945   8.6287 13518.57  1274.75 13732.99  1826.30 13314.86  1780.13  182.409   12.404  179.629   12.279 2.780548 17.45370 
1 1 1   31   13   16 o   64.515   8.8189  1733.88  449.877  2036.36  577.034  1265.03  718.388   69.681   10.527   54.460   15.502 15.22035 18.73874 
1 1 1   31   13   17 f  177.078   8.7591 12851.06  1259.40 12549.20  1793.94 13144.40  1768.46  173.616   12.816  177.872   12.321 -4.256348 17.77789 
1 1 1   31   13   18 o   51.719   11.312  1148.34  461.816  1478.41  529.322   96.243  945.040   58.798   11.499   39.811   16.872 18.98713 20.41832 
1 1 1   31   13   19 o   28.912   11.479  192.079  402.225  185.883  448.165  217.742  912.018   29.978   12.044   40.313   16.796 -10.33514 20.66836 
1 1 1   31   13   20 o   77.536   10.344  2541.89  634.973  1852.33  736.990  4528.29  1250.86   64.841   14.376  101.783   15.636 -36.94192 21.23979 
1 1 1   31   13   21 o   25.086   10.791 -10.0837  396.938   25.572  421.719 -287.0033  1175.26   26.381   11.229   39.621   17.740 -13.23950 20.99508 
1 1 1   31   13   22 o   38.392   13.002  611.430  482.570  446.961  527.930  1447.03  1189.96   35.712   13.421   56.640   20.335 -20.92821 24.36461 
1 1 1   31   15    0 o  442.987   32.523 81491.76 11616.53   0.0000   0.0000 81491.76 11616.53  ?   ?   442.987   32.523 0.000000 32.52322 
1 1 1   31   15    1 o  543.610   39.655 123796.50 17382.63   0.0000   0.0000 123796.50 17382.63  ?   ?   543.610   39.655 0.000000 39.65485 
1 1 1   31   15    2 o  320.761   18.035 42142.23  4678.17 42589.88  6611.36 41693.34  6620.50  321.051   25.574  317.561   25.901 3.489014 36.39927 
1 1 1   31   15    3 o  408.259   15.136 67953.14  5017.43 70432.73 10221.79 67166.07  5758.95  411.845   30.790  405.602   17.487 6.242493 35.40898 
1 1 1   31   15    4 o  354.588   15.243 51270.80  4388.60 53014.84  7909.31 50495.01  5275.14  357.806   27.433  351.040   18.573 6.766846 33.12898 
1 1 1   31   15    5 o  365.905   16.337 54643.54  4853.82 51153.01  8696.49 56222.88  5849.74  350.379   30.884  370.234   19.528 -19.85495 36.53994 
1 1 1   31   15    6 o  108.645   8.3086  4827.05  727.397  4649.25  1617.62  4872.12  814.377  104.911   19.713  109.056   9.2852 -4.145027 21.79071 
1 1 1   31   15    7 o  467.869   19.684 89645.67  7477.79 86509.13 13285.66 91100.06  9046.86  453.575   36.380  470.140   23.776 -16.56479 43.46079 
1 1 1   31   15    8 o  478.779   24.785 94703.41  9602.08 93543.50 13783.30 95797.13 13384.26  471.206   36.305  477.598   34.752 -6.391174 50.25678 
1 1 1   31   15    9 o  557.534   25.897 128477.00 11723.51 90670.83 20664.71 146420.00 14236.24  450.043   57.893  593.613   29.536 -143.5698 64.99208 
1 1 1   31   15   10 o  172.903   9.9522 12212.99  1391.30 13306.93  2803.83 11855.63  1602.51  178.984   19.614  170.145   11.670 8.839722 22.82340 
1 1 1   31   15   11 o  284.879   13.653 33155.43  3158.07 26729.14  5906.84 35727.61  3737.02  251.359   29.503  295.029   15.656 -43.66943 33.39926 
1 1 1   31   15   12 o  129.953   10.137  6925.97  1061.14  4717.05  2230.06  7572.49  1206.48  104.345   26.323  135.796   11.037 -31.45071 28.54358 
1 1 1   31   15   13 o  114.990   7.9938  5412.19  741.721  6232.54  980.013  4312.16  1134.84  123.192   9.8805  101.577   14.143 21.61468 17.25262 
1 1 1   31   15   14 f  251.151   9.5776 25779.82  1953.13 25097.56  2816.10 26412.17  2711.16  246.456   14.132  253.115   13.238 -6.659348 19.36323 
1 1 1   31   15   15 o   68.191   8.2912  1927.55  449.625  2171.65  559.113  1480.73  756.446   72.169   9.7943   58.687   15.605 13.48193 18.42373 
1 1 1   31   15   16 o  123.117   8.0437  6225.59  799.681  6472.91  1067.69  5909.57  1206.90  125.024   10.618  118.910   12.696 6.114319 16.55111 
1 1 1   31   15   17 o  324.460   12.063 43610.15  3178.04 44043.73  4562.40 43201.47  4429.40  322.117   17.510  319.299   17.148 2.818604 24.50762 
1 1 1   31   15   18 o   51.664   11.086  1146.77  451.137  1011.16  506.293  1669.40  993.941   48.373   12.721   61.788   18.422 -13.41528 22.38762 
1 1 1   31   15   19 o  105.979   8.7050  4661.84  742.460  4304.47  904.963  5397.70  1298.58  101.073   11.216  112.004   14.628 -10.93053 18.43344 
1 1 1   31   15   20 o   69.703   9.9760  2062.11  548.502  2237.20  612.223  1349.89  1234.75   72.419   10.737   57.302   20.697 15.11652 23.31615 
1 1 1   31   15   21 f   28.966   12.027  120.447  465.363 -91.2680  501.658  1426.78  1246.12   26.940   11.850   57.317   20.778 -30.37688 23.91987 
1 1 1   31   15   22 o   39.175   13.048  655.798  485.988  822.472  530.247 -219.4524  1215.09   43.044   13.576   39.632   17.867 3.412270 22.43937 
1 1 1   31   17    0 o  293.378   16.672 35253.36  3955.02   0.0000   0.0000 35253.36  3955.02  ?   ?   293.378   16.672 0.000000 16.67169 
1 1 1   31   17    1 o  202.459   13.564 16777.84  2216.83   0.0000   0.0000 16777.84  2216.83  ?   ?   202.459   13.564 0.000000 13.56362 
1 1 1   31   17    2 o  141.354   10.246  8171.86  1167.95  9975.02  2063.89  7322.38  1416.60  155.437   16.610  133.407   13.253 22.03053 21.24943 
1 1 1   31   17    3 o  209.243   11.880 17884.82  2010.02 19858.24  3531.09 16938.86  2444.76  219.346   20.048  203.247   14.918 16.09961 24.98947 
1 1 1   31   17    4 o  329.083   12.965 44127.31  3464.29 48588.50  6383.31 42264.73  4124.56  343.224   23.039  321.780   15.786 21.44400 27.92815 
1 1 1   31   17    5 o  246.503   9.5285 24720.23  1907.15 37580.09  3695.29 20051.23  2226.60  303.468   14.997  221.501   12.430 81.96721 19.47866 
1 1 1   31   17    6 o  551.698   21.164 124909.50  9480.70 134969.30 16793.85 120203.80 11486.04  566.343   36.718  539.663   26.213 26.68042 45.11444 
1 1 1   31   17    7 o  285.911   16.615 33535.73  3840.48 35522.39  5648.77 31828.10  5237.08  292.682   23.980  277.060   23.501 15.62210 33.57596 
1 1 1   31   17    8 o  488.163   20.523 97898.37  8134.68 98114.67 14534.29 97799.70  9816.17  480.844   37.524  485.945   24.962 -5.101379 45.06806 
1 1 1   31   17    9 o  400.705   15.959 65701.38  5192.45 78089.55  9480.52 60392.88  6206.04  432.877   27.110  382.810   20.036 50.06711 33.71004 
1 1 1   31   17   10 o  603.420   24.170 150818.59 11842.04 159761.59 20998.54 146648.00 14339.89  607.034   42.879  591.189   29.971 15.84534 52.31482 
1 1 1   31   17   11 o  518.311   22.168 111266.10  9329.27 102689.50 16666.82 115179.50 11258.24  483.527   42.897  524.507   26.521 -40.97964 50.43340 
1 1 1   31   17   12 o  154.599   10.720  9808.07  1337.31  7711.65  2904.94 10371.83  1506.43  132.868   27.819  158.831   11.765 -25.96309 30.20386 
1 1 1   31   17   13 o  218.966   11.962 19719.69  2118.67 21121.26  4649.20 19352.34  2380.18  221.361   26.387  216.500   13.609 4.860260 29.68936 
1 1 1   31   17   14 o   16.743   8.3238 -1094.8440  440.796 -1852.4590  2520.84 -1070.9480  447.694   53.052   24.588   17.096   8.4806 35.95576 26.00976 
1 1 1   31   17   15 o   47.068   14.835  912.763  633.241  3675.40  2404.86  706.943  656.406   90.892   28.938   43.422   15.148 47.47066 32.66313 
1 1 1   31   17   16 o   41.682   15.922  522.378  750.392  1577.31  2692.26  433.522  781.355   73.486   29.522   40.927   16.078 32.55966 33.61622 
1 1 1   31   17   17 o  258.727   13.921 28093.99  2913.78 29821.24  6321.81 27628.08  3283.32  250.436   31.806  255.295   15.919 -4.858948 35.56738 
1 1 1   31   17   18 o  165.865   9.3003 11391.71  1247.48 11207.76  1696.89 11608.06  1840.23  163.050   12.923  165.520   13.819 -2.469513 18.92001 
1 1 1   31   17   19 o   50.411   18.149  992.620  948.498  737.123  3754.07  1010.04  980.304   72.414   32.108   50.961   18.436 21.45311 37.02406 
1 1 1   31   17   20 o   33.138   10.911  446.767  340.205  699.954  361.858 -1480.9020  998.467   40.106   10.849   28.704   13.901 11.40229 17.63380 
1 1 1   31   17   21 o  128.808   9.6360  7031.75  1000.50  7060.14  1253.22  6981.84  1661.43  127.445   12.262  123.099   17.083 4.346733 21.02790 
1 1 1   31   19    0 o  350.507   19.239 50464.82  5454.39   0.0000   0.0000 50464.82  5454.39  ?   ?   350.507   19.239 0.000000 19.23868 
1 1 1   31   19    1 o  666.955   33.601 185880.91 18138.27   0.0000   0.0000 185880.91 18138.27  ?   ?   666.955   33.601 0.000000 33.60142 
1 1 1   31   19    2 o  122.047   10.715  6110.31  1051.05  4708.04  1971.79  6666.88  1242.24  104.945   23.700  127.345   12.162 -22.40051 26.63839 
1 1 1   31   19    3 o   93.439   11.362  3607.89  844.255  1384.95  1590.52  4479.91  996.179   64.269   23.448  104.180   11.995 -39.91149 26.33775 
1 1 1   31   19    4 f  384.527   15.094 60379.01  4712.79 63182.86  9733.59 59520.43  5386.24  388.565   31.112  381.422   17.392 7.143311 35.64312 
1 1 1   31   19    5 o  287.935   14.162 33839.91  3310.89 30787.50  6243.19 35034.26  3905.28  270.954   28.820  292.234   16.526 -21.28030 33.22178 
1 1 1   31   19    6 o  400.269   21.754 66106.84  7043.76 65736.13 10182.93 66446.95  9753.68  395.496   31.983  398.292   30.389 -2.795929 44.11854 
1 1 1   31   19    7 o  367.917   15.981 55383.70  4774.26 56607.16  8771.88 54868.72  5691.02  367.408   29.657  365.073   19.267 2.334900 35.36571 
1 1 1   31   19    8 o  334.138   14.756 45654.05  4003.49 46515.25  7471.26 45307.16  4741.71  333.157   27.875  331.900   17.659 1.257080 32.99765 
1 1 1   31   19    9 o  465.817   18.736 89235.82  7086.58 102579.40 12900.04 83468.53  8480.87  492.219   32.459  448.346   23.377 43.87317 40.00134 
1 1 1   31   19   10 o  277.646   12.776 31519.45  2880.19 35174.39  5594.62 30201.45  3359.60  289.807   23.991  270.938   15.334 18.86914 28.47282 
1 1 1   31   19   11 o  343.260   15.340 48459.80  4275.58 52501.91  8145.62 46922.65  5023.20  350.584   28.872  336.327   18.465 14.25702 34.27140 
1 1 1   31   19   12 o  425.694   18.205 75342.99  6292.65 86141.35 11727.47 70977.02  7457.04  442.643   32.864  410.110   22.479 32.53314 39.81688 
1 1 1   31   19   13 o  274.672   13.733 31160.20  3062.89 29968.58  6291.75 31530.30  3506.43  259.562   30.431  275.139   15.761 -15.57693 34.27017 
1 1 1   31   19   14 f   48.709   15.869  961.006  720.265  4114.40  3103.09  781.440  740.488   96.553   32.970   45.777   16.082 50.77527 36.68313 
1 1 1   31   19   15 o  144.022   12.214  8643.76  1414.85  7622.42  4172.61  8776.44  1503.94  123.765   37.932  144.913   12.917 -21.14796 40.07105 
1 1 1   31   19   16 o  153.152   12.331  9806.63  1520.45  7473.67  4106.01 10177.37  1636.81  120.732   37.732  155.766   13.062 -35.03316 39.92927 
1 1 1   31   19   17 o  176.068   12.524 13014.93  1778.77 16253.34  4795.90 12498.39  1915.38  180.020   34.058  171.898   13.840 8.122116 36.76250 
1 1 1   31   19   18 o  179.225   13.581 13660.99  1961.62 11701.84  5955.59 13899.40  2077.55  133.985   45.676  180.347   14.305 -46.36186 47.86364 
1 1 1   31   19   19 o  136.780   15.636  8216.23  1705.39   0.0000   0.0000  8216.23  1705.39  ?   ?   136.780   15.636 0.000000 15.63633 
1 1 1   31   19   20 o   30.436   14.686 -1451.8000  1089.04   0.0000   0.0000 -1451.8000  1089.04  ?   ?    30.436   14.686 0.000000 14.68572 
1 1 1   31   19   21 o   46.116   19.678  479.430  1300.97   0.0000   0.0000  479.430  1300.97  ?   ?    46.116   19.678 0.000000 19.67829 
1 1 1   31   21    0 o  310.997   18.144 39766.16  4561.89   0.0000   0.0000 39766.16  4561.89  ?   ?   310.997   18.144 0.000000 18.14428 
1 1 1   31   21    1 f   89.065   15.421  3333.74  1074.84   0.0000   0.0000  3333.74  1074.84  ?   ?    89.065   15.421 0.000000 15.42115 
1 1 1   31   21    2 o  159.036   14.140 10407.65  1806.89   0.0000   0.0000 10407.65  1806.89  ?   ?   159.036   14.140 0.000000 14.14008 
1 1 1   31   21    3 o   93.992   12.707  3668.37  944.909  3999.63  1764.21  3535.11  1118.93   96.614   22.848   91.740   15.578 4.873962 27.65350 
1 1 1   31   21    4 o  468.079   20.574 90101.88  7819.39 90592.37 13607.95 89860.10  9554.25  461.748   36.595  465.251   25.387 -3.502136 44.53872 
1 1 1   31   21    5 o  464.155   25.137 89478.94  9438.17 85976.95 13615.29 92718.42 13095.07  448.709   37.720  467.803   34.723 -19.09387 51.26868 
1 1 1   31   21    6 o  365.465   17.337 54778.12  5144.78 47936.89  9575.01 57554.89  6100.17  334.778   35.778  373.421   20.194 -38.64243 41.08400 
1 1 1   31   21    7 o  304.482   13.178 37878.71  3257.93 39254.74  6335.56 37384.03  3798.65  306.251   25.716  301.721   15.558 4.529724 30.05653 
1 1 1   31   21    8 o   58.181   12.988  1438.02  598.003  1740.03  1885.27  1404.23  630.566   70.509   25.558   57.449   13.709 13.05976 29.00222 
1 1 1   31   21    9 o  143.242   10.007  8411.32  1156.59  8656.91  2731.30  8357.66  1276.71  142.076   24.565  142.622   11.112 -0.5456848 26.96138 
1 1 1   31   21   10 o  169.581   10.744 11804.77  1471.77 17292.99  3883.42 10884.28  1590.41  201.471   24.225  162.556   12.137 38.91553 27.09500 
1 1 1   31   21   11 o  131.426   10.521  7117.43  1113.35  9071.43  3090.79  6826.09  1193.46  143.209   27.581  128.492   11.563 14.71747 29.90670 
1 1 1   31   21   12 o  250.895   13.224 26053.81  2684.37 27842.50  5923.88 25591.61  3011.29  250.153   29.748  247.967   15.027 2.186310 33.32825 
1 1 1   31   21   13 o  309.573   15.092 39912.21  3793.49 42028.24  7853.79 39268.31  4332.39  303.093   32.415  305.267   17.553 -2.174011 36.86268 
1 1 1   31   21   14 o  128.659   11.842  6900.07  1223.25  7061.92  3903.36  6882.45  1288.14  119.710   36.687  128.298   12.525 -8.587181 38.76659 
1 1 1   31   21   15 o   94.480   14.137  3810.73  1051.15  6618.60  3852.53  3584.88  1092.61  114.540   36.644   91.213   15.294 23.32703 39.70754 
1 1 1   31   21   16 o   62.758   18.220  1739.80  983.214  4647.93  3695.86  1518.31  1019.97   97.659   35.725   59.325   18.842 38.33395 40.38947 
1 1 1   31   21   17 o  123.863   13.450  6547.23  1330.96 13711.37  4632.02  5902.50  1389.56  159.493   36.550  116.859   14.990 42.63442 39.50481 
1 1 1   31   21   18 o  107.485   16.487  5133.34  1392.97   0.0000   0.0000  5133.34  1392.97  ?   ?   107.485   16.487 0.000000 16.48709 
1 1 1   31   21   19 o   39.346   17.341 -75.2925  1079.20   0.0000   0.0000 -75.2925  1079.20  ?   ?    39.346   17.341 0.000000 17.34145 
1 1 1   31   21   20 o   53.558   20.383  1238.18  1227.09   0.0000   0.0000  1238.18  1227.09  ?   ?    53.558   20.383 0.000000 20.38350 
1 1 1   31   23    0 o   76.729   16.925  2507.08  1026.17   0.0000   0.0000  2507.08  1026.17  ?   ?    76.729   16.925 0.000000 16.92538 
1 1 1   31   23    1 o  452.469   24.688 85107.41  9035.82   0.0000   0.0000 85107.41  9035.82  ?   ?   452.469   24.688 0.000000 24.68797 
1 1 1   31   23    2 o  542.172   28.871 123140.20 12663.87   0.0000   0.0000 123140.20 12663.87  ?   ?   542.172   28.871 0.000000 28.87078 
1 1 1   31   23    3 o  389.270   18.120 62243.61  5727.37 59749.23 10164.83 63403.86  6932.60  374.711   33.772  391.253   21.910 -16.54187 40.25692 
1 1 1   31   23    4 o  509.028   22.020 107095.90  9101.22 108801.10 15913.08 106266.90 11094.99  502.119   39.346  504.032   27.211 -1.913544 47.83852 
1 1 1   31   23    5 o  141.752   9.5234  8223.58  1089.76  7917.01  2992.01  8270.47  1170.14  135.186   28.172  142.072   10.212 -6.886520 29.96540 
1 1 1   31   23    6 o  120.756   9.1841  5975.77  893.748  4544.69  2580.44  6170.85  952.718  102.579   29.441  122.664   9.6432 -20.08572 30.97972 
1 1 1   31   23    7 o  416.264   17.716 71445.56  5987.94 70952.92 11262.16 71639.72  7070.07  404.966   34.582  415.023   21.049 -10.05664 40.48430 
1 1 1   31   23    8 o  170.299   10.965 11906.72  1508.17 15642.02  4083.53 11316.73  1622.91  190.487   27.172  165.798   12.140 24.68922 29.76031 
1 1 1   31   23    9 o  125.883   10.762  6533.97  1089.39  5021.82  3547.40  6691.42  1144.71  107.255   35.230  127.325   11.186 -20.06988 36.96297 
1 1 1   31   23   10 o  320.924   15.474 42697.64  4032.23 42590.99  8281.33 42730.78  4616.42  307.540   33.716  319.495   17.867 -11.95480 38.15763 
1 1 1   31   23   11 o   83.797   12.455  2956.53  821.664  5142.29  3495.16  2828.67  845.355  106.222   34.973   81.760   13.182 24.46250 37.37513 
1 1 1   31   23   12 o  110.205   11.569  5061.99  1019.79  3590.46  3920.48  5168.78  1056.14   95.059   36.373  111.298   11.870 -16.23919 38.26097 
1 1 1   31   23   13 o   93.286   14.224  3707.36  1043.31  3493.08  3986.07  3723.12  1080.99   93.557   36.440   93.328   14.756 0.2292328 39.31372 
1 1 1   31   23   14 o  116.545   13.362  5739.61  1241.64  5084.65  4580.70  5791.55  1289.93  103.586   39.392  116.905   13.859 -13.31975 41.75928 
1 1 1   31   23   15 o   69.210   17.982  2138.22  1019.68  1458.17  3767.32  2191.98  1059.21   78.203   33.431   69.997   18.396 8.205750 38.15828 
1 1 1   31   23   16 o   39.257   16.418  202.910  876.042  9734.28  4629.25 -151.1050  892.162  129.306   40.008   35.903   15.798 93.40333 43.01369 
1 1 1   31   23   17 o   40.640   17.356  130.961  1013.49   0.0000   0.0000  130.961  1013.49  ?   ?    40.640   17.356 0.000000 17.35591 
1 1 1   31   23   18 o   64.446   19.935  1963.26  1149.40   0.0000   0.0000  1963.26  1149.40  ?   ?    64.446   19.935 0.000000 19.93451 
1 1 1   31   23   19 o   51.542   19.307  1128.11  1090.84   0.0000   0.0000  1128.11  1090.84  ?   ?    51.542   19.307 0.000000 19.30656 
1 1 1   31   25    0 o  318.820   19.728 42124.51  5082.03   0.0000   0.0000 42124.51  5082.03  ?   ?   318.820   19.728 0.000000 19.72845 
1 1 1   31   25    1 o  457.169   25.389 87518.48  9387.61   0.0000   0.0000 87518.48  9387.61  ?   ?   457.169   25.389 0.000000 25.38942 
1 1 1   31   25    2 o  115.195   17.710  5585.15  1603.47   0.0000   0.0000  5585.15  1603.47  ?   ?   115.195   17.710 0.000000 17.71016 
1 1 1   31   25    3 o  226.210   14.429 21062.79  2636.37 22169.85  4864.06 20602.27  3137.14  228.440   26.729  223.003   17.465 5.436508 31.92883 
1 1 1   31   25    4 o  182.990   14.479 13823.35  2133.69 13256.67  3998.89 14048.89  2522.82  174.877   29.191  183.896   17.091 -9.018753 33.82669 
1 1 1   31   25    5 o  153.732   14.654  9796.79  1807.01 10680.61  3597.21  9498.49  2089.82  156.149   29.452  150.717   17.396 5.432114 34.20605 
1 1 1   31   25    6 o  197.584   10.375 16004.19  1658.68 14986.23  4375.23 16175.05  1792.48  184.707   30.218  198.487   11.167 -13.77980 32.21553 
1 1 1   31   25    7 o  298.334   13.975 36672.82  3385.18 41758.11  7403.83 35328.77  3806.34  309.214   29.860  291.686   16.134 17.52734 33.94048 
1 1 1   31   25    8 o  275.968   14.383 31567.74  3211.81 30013.67  7163.82 31958.70  3593.17  256.451   35.342  276.986   16.045 -20.53525 38.81408 
1 1 1   31   25    9 o  212.340   11.657 18612.45  2002.12 26260.92  5356.82 17370.55  2158.55  243.886   27.533  204.681   13.056 39.20549 30.47168 
1 1 1   31   25   10 o  221.234   11.937 20253.20  2136.42 28143.66  5653.94 18938.94  2307.49  250.846   28.251  213.395   13.385 37.45125 31.26135 
1 1 1   31   25   11 o  203.069   11.899 17106.79  1953.47 20495.11  5153.60 16538.28  2111.00  210.346   31.113  199.194   13.125 11.15135 33.76836 
1 1 1   31   25   12 o   80.037   14.298  2753.22  895.107  1636.56  3723.39  2821.72  922.151   80.688   33.804   80.973   14.561 -0.2847900 36.80675 
1 1 1   31   25   13 o   20.189   9.9859 -1355.2250  604.273 -3688.3640  3445.86 -1281.2000  613.784   55.676   26.671   20.830   10.257 34.84657 28.57544 
1 1 1   31   25   14 o   39.711   16.490  231.025  874.932  2626.81  3949.71  107.396  897.223   84.913   35.130   38.750   16.432 46.16314 38.78334 
1 1 1   31   25   15 o   69.597   18.099  2193.63  1032.38  862.991  5533.54  2241.62  1050.83   82.595   37.589   70.312   18.248 12.28330 41.78429 
1 1 1   31   25   16 o   48.159   18.980  725.438  1092.11   0.0000   0.0000  725.438  1092.11  ?   ?    48.159   18.980 0.000000 18.97976 
1 1 1   31   25   17 o   60.893   20.013  1723.28  1144.72   0.0000   0.0000  1723.28  1144.72  ?   ?    60.893   20.013 0.000000 20.01322 
1 1 1   31   25   18 o   32.277   15.272 -954.4930  1060.64   0.0000   0.0000 -954.4930  1060.64  ?   ?    32.277   15.272 0.000000 15.27195 
1 1 1   31   27    0 o  268.552   18.970 30114.32  4109.94   0.0000   0.0000 30114.32  4109.94  ?   ?   268.552   18.970 0.000000 18.97015 
1 1 1   31   27    1 o  212.783   17.483 18877.96  2993.92   0.0000   0.0000 18877.96  2993.92  ?   ?   212.783   17.483 0.000000 17.48328 
1 1 1   31   27    2 o  251.316   18.613 26399.26  3771.09   0.0000   0.0000 26399.26  3771.09  ?   ?   251.316   18.613 0.000000 18.61257 
1 1 1   31   27    3 o   49.879   19.116  724.492  1083.92   0.0000   0.0000  724.492  1083.92  ?   ?    49.879   19.116 0.000000 19.11591 
1 1 1   31   27    4 o  231.324   16.173 22287.20  3018.62 27363.48  6066.89 20617.03  3479.95  248.839   30.676  221.145   19.583 27.69377 36.39396 
1 1 1   31   27    5 o  156.072   16.364 10227.35  2042.92  7572.81  4425.76 10946.10  2302.95  126.756   39.102  161.003   17.920 -34.24744 43.01263 
1 1 1   31   27    6 o  303.647   12.919 38047.96  3185.30 53840.76  7391.73 34446.47  3529.86  351.811   26.061  287.670   15.166 64.14120 30.15287 
1 1 1   31   27    7 o  369.689   15.432 56918.93  4632.36 68203.22 10350.84 54092.80  5180.06  386.342   33.322  358.922   17.774 27.41965 37.76649 
1 1 1   31   27    8 o  143.842   10.543  8554.96  1222.85 11903.96  4900.38  8332.56  1262.80  155.044   38.970  141.824   11.053 13.22014 40.50738 
1 1 1   31   27    9 o   63.099   11.084  1688.53  547.178 -5132.3530  4277.46  1802.01  551.711   60.769   29.267   65.302   10.781 -4.533566 31.18921 
1 1 1   31   27   10 o   58.410   14.248  1481.30  669.701  4200.93  3718.19  1390.11  680.835   96.858   35.769   56.582   14.690 40.27673 38.66837 
1 1 1   31   27   11 f  177.749   12.527 13217.40  1796.45 16738.75  6085.23 12881.21  1880.25  175.409   43.047  175.126   13.323 0.2822571 45.06136 
1 1 1   31   27   12 o  125.770   12.514  6668.16  1260.95  5566.39  5702.39  6724.80  1292.96  105.761   42.797  126.204   12.794 -20.44279 44.66831 
1 1 1   31   27   13 o   39.150   15.527  393.242  735.140 -2474.4761  5478.92  445.817  741.848   73.671   34.812   40.009   15.682 33.66149 38.18148 
1 1 1   31   27   14 o   75.941   17.882  2618.28  1084.40 23331.62  6406.75  2007.37  1100.28  200.850   40.680   66.337   19.278 134.5132 45.01655 
1 1 1   31   27   15 o   26.432   12.899 -1546.4360  905.545   0.0000   0.0000 -1546.4360  905.545  ?   ?    26.432   12.899 0.000000 12.89926 
1 1 1   31   27   16 o   50.045   19.379  925.553  1122.27   0.0000   0.0000  925.553  1122.27  ?   ?    50.045   19.379 0.000000 19.37877 
1 1 1   31   27   17 o   48.136   19.903  701.841  1266.69   0.0000   0.0000  701.841  1266.69  ?   ?    48.136   19.903 0.000000 19.90298 
1 1 1   31   29    0 o  226.082   19.133 21681.41  3479.31   0.0000   0.0000 21681.41  3479.31  ?   ?   226.082   19.133 0.000000 19.13306 
1 1 1   31   29    1 f  227.932   28.918 23213.01  5231.61   0.0000   0.0000 23213.01  5231.61  ?   ?   227.932   28.918 0.000000 28.91835 
1 1 1   31   29    2 o  310.670   31.466 43668.95  7827.83   0.0000   0.0000 43668.95  7827.83  ?   ?   310.670   31.466 0.000000 31.46552 
1 1 1   31   29    3 o  172.625   25.236 13167.91  3432.78   0.0000   0.0000 13167.91  3432.78  ?   ?   172.625   25.236 0.000000 25.23626 
1 1 1   31   29    4 o  232.271   20.121 23085.35  3757.20   0.0000   0.0000 23085.35  3757.20  ?   ?   232.271   20.121 0.000000 20.12071 
1 1 1   31   29    5 o  281.405   18.624 33653.52  4231.33 36061.91  8309.73 32810.47  4916.45  272.756   38.599  275.305   22.182 -2.548828 44.51859 
1 1 1   31   29    6 o  157.394   10.397 10243.08  1321.25  9951.22  4780.40 10267.22  1374.80  139.675   40.067  157.463   10.819 -17.78789 41.50138 
1 1 1   31   29    7 o  123.997   11.041  6397.44  1099.95  1203.93  5105.59  6650.23  1126.41   87.600   38.186  126.430   11.084 -38.83028 39.76202 
1 1 1   31   29    8 o  177.949   11.186 13151.97  1608.09 12805.83  5941.03 13179.34  1670.45  151.697   44.997  177.976   11.623 -26.27885 46.47381 
1 1 1   31   29    9 f  126.578   11.345  6695.10  1153.68 16839.49  6014.24  6307.56  1175.51  176.022   42.550  122.638   11.957 53.38395 44.19849 
1 1 1   31   29   10 o  110.571   11.874  5147.48  1049.33  6526.17  5213.01  5089.26  1071.26  110.399   42.014  109.822   12.221 0.5762939 43.75507 
1 1 1   31   29   11 o  142.616   12.261  8573.97  1405.96 16627.04  6823.06  8216.87  1436.79  161.030   48.326  139.345   12.843 21.68448 50.00332 
1 1 1   31   29   12 o  114.265   13.542  5599.04  1231.98  419.836  6940.48  5767.54  1251.86   86.495   40.328  115.990   13.548 -29.49447 42.54271 
1 1 1   31   29   13 o  110.629   14.386  5326.08  1261.66   0.0000   0.0000  5326.08  1261.66  ?   ?   110.629   14.386 0.000000 14.38586 
1 1 1   31   29   14 o   92.468   17.359  3909.01  1255.46   0.0000   0.0000  3909.01  1255.46  ?   ?    92.468   17.359 0.000000 17.35897 
1 1 1   31   29   15 o   66.871   18.711  2145.67  1055.89   0.0000   0.0000  2145.67  1055.89  ?   ?    66.871   18.711 0.000000 18.71069 
1 1 1   31   29   16 o   97.367   20.113  4727.92  1537.48   0.0000   0.0000  4727.92  1537.48  ?   ?    97.367   20.113 0.000000 20.11294 
1 1 1   31   31    0 o  152.052   21.018 10132.69  2525.53   0.0000   0.0000 10132.69  2525.53  ?   ?   152.052   21.018 0.000000 21.01803 
1 1 1   31   31    1 o  141.189   22.467  8846.29  2489.38   0.0000   0.0000  8846.29  2489.38  ?   ?   141.189   22.467 0.000000 22.46738 
1 1 1   31   31    2 o  198.622   21.075 17207.37  3347.01   0.0000   0.0000 17207.37  3347.01  ?   ?   198.622   21.075 0.000000 21.07547 
1 1 1   31   31    3 o   51.992   23.028 -343.0443  1925.98   0.0000   0.0000 -343.0443  1925.98  ?   ?    51.992   23.028 0.000000 23.02792 
1 1 1   31   31    4 o  230.576   23.343 23584.30  4309.97   0.0000   0.0000 23584.30  4309.97  ?   ?   230.576   23.343 0.000000 23.34250 
1 1 1   31   31    5 o  114.346   24.836  6018.42  2239.87 13012.09  5907.46  4844.18  2420.61  152.002   44.813  101.041   28.350 50.96030 53.02794 
1 1 1   31   31    6 o   74.767   9.3335  2337.43  554.279  9113.40  5408.98  2265.52  557.213  127.376   43.529   73.540   9.5576 53.83604 44.56590 
1 1 1   31   31    7 o   91.423   9.8445  3491.33  719.258 -5028.6221  5830.46  3622.99  724.794   71.248   34.277   93.181   9.7228 -21.93326 35.62917 
1 1 1   31   31    8 o   97.991   10.833  4034.32  847.515  4147.27  6223.97  4032.19  855.483   99.371   42.738   97.931   10.946 1.439140 44.11765 
1 1 1   31   31    9 o   96.066   11.189  3896.55  856.436  6472.95  6467.75  3850.57  864.045  107.178   44.698   95.430   11.375 11.74868 46.12286 
1 1 1   31   31   10 o   92.542   11.960  3650.65  877.681  1227.59  6366.12  3697.59  886.143   86.337   39.676   93.130   11.998 -6.792244 41.45060 
1 1 1   31   31   11 o   91.894   13.727  3672.27  992.849 -3152.2090  8101.79  3776.32  1000.39   80.468   39.116   93.260   13.612 -12.79239 41.41654 
1 1 1   31   31   12 o   49.082   17.156  1003.10  842.162   0.0000   0.0000  1003.10  842.162  ?   ?    49.082   17.156 0.000000 17.15564 
1 1 1   31   31   13 o   75.100   18.089  2661.26  1089.95   0.0000   0.0000  2661.26  1089.95  ?   ?    75.100   18.089 0.000000 18.08928 
1 1 1   31   31   14 o   84.839   18.760  3486.05  1258.02   0.0000   0.0000  3486.05  1258.02  ?   ?    84.839   18.760 0.000000 18.76032 
1 1 1   31   31   15 o   70.312   23.426  2737.49  1566.48   0.0000   0.0000  2737.49  1566.48  ?   ?    70.312   23.426 0.000000 23.42614 
1 1 1   31   33    0 o  182.936   22.901 15108.36  3327.18   0.0000   0.0000 15108.36  3327.18  ?   ?   182.936   22.901 0.000000 22.90144 
1 1 1   31   33    1 o  163.755   24.918 12351.99  3208.63   0.0000   0.0000 12351.99  3208.63  ?   ?   163.755   24.918 0.000000 24.91753 
1 1 1   31   33    2 o   46.413   21.719 -1580.3350  2043.17   0.0000   0.0000 -1580.3350  2043.17  ?   ?    46.413   21.719 0.000000 21.71924 
1 1 1   31   33    3 o   42.259   20.301 -2522.7959  2027.99   0.0000   0.0000 -2522.7959  2027.99  ?   ?    42.259   20.301 0.000000 20.30095 
1 1 1   31   33    4 o   46.239   22.046 -2407.4399  2295.64   0.0000   0.0000 -2407.4399  2295.64  ?   ?    46.239   22.046 0.000000 22.04561 
1 1 1   31   33    5 o  137.481   28.518  9212.54  3079.04   0.0000   0.0000  9212.54  3079.04  ?   ?   137.481   28.518 0.000000 28.51766 
1 1 1   31   33    6 o  132.354   27.376  8510.13  2844.95 10988.46  7994.16  8150.73  3044.25  123.088   50.347  127.369   29.941 -4.281921 58.57707 
1 1 1   31   33    7 o   82.966   9.9857  2900.31  659.184  1470.74  7322.74  2911.99  661.871   89.977   41.775   83.129   10.007 6.848221 42.95652 
1 1 1   31   33    8 o  176.884   12.311 13270.10  1757.08  7457.83  9131.65 13493.56  1790.54  105.267   48.054  178.289   12.447 -73.02205 49.63989 
1 1 1   31   33    9 o   93.294   11.407  3716.70  846.135   0.0000   0.0000  3716.70  846.135  ?   ?    93.294   11.407 0.000000 11.40748 
1 1 1   31   33   10 o   43.860   14.153  824.071  573.739   0.0000   0.0000  824.071  573.739  ?   ?    43.860   14.153 0.000000 14.15274 
1 1 1   31   33   11 o   74.902   15.724  2567.62  925.861   0.0000   0.0000  2567.62  925.861  ?   ?    74.902   15.724 0.000000 15.72427 
1 1 1   31   33   12 o   45.703   17.438  800.911  899.445   0.0000   0.0000  800.911  899.445  ?   ?    45.703   17.438 0.000000 17.43759 
1 1 1   31   33   13 o   89.563   18.072  3907.12  1268.93   0.0000   0.0000  3907.12  1268.93  ?   ?    89.563   18.072 0.000000 18.07231 
1 1 1   31   35    0 o   47.297   21.678 -810.2495  1883.36   0.0000   0.0000 -810.2495  1883.36  ?   ?    47.297   21.678 0.000000 21.67805 
1 1 1   31   35    1 o  257.572   26.862 32101.75  5535.19   0.0000   0.0000 32101.75  5535.19  ?   ?   257.572   26.862 0.000000 26.86165 
1 1 1   31   35    2 o  188.229   27.119 17288.52  4025.11   0.0000   0.0000 17288.52  4025.11  ?   ?   188.229   27.119 0.000000 27.11892 
1 1 1   31   35    3 o   79.876   30.677  2988.13  2795.22   0.0000   0.0000  2988.13  2795.22  ?   ?    79.876   30.677 0.000000 30.67731 
1 1 1   31   35    4 o  184.859   29.809 17423.78  4322.08   0.0000   0.0000 17423.78  4322.08  ?   ?   184.859   29.809 0.000000 29.80867 
1 1 1   31   35    5 o   82.103   30.857  3392.86  2791.09   0.0000   0.0000  3392.86  2791.09  ?   ?    82.103   30.857 0.000000 30.85731 
1 1 1   31   35    6 o   44.447   21.573 -3077.2410  2439.21   0.0000   0.0000 -3077.2410  2439.21  ?   ?    44.447   21.573 0.000000 21.57299 
1 1 1   31   35    7 o   48.467   12.187  1039.06  479.093   0.0000   0.0000  1039.06  479.093  ?   ?    48.467   12.187 0.000000 12.18659 
1 1 1   31   35    8 o   77.831   11.323  2622.57  694.610   0.0000   0.0000  2622.57  694.610  ?   ?    77.831   11.323 0.000000 11.32328 
1 1 1   31   35    9 o   33.035   11.830  414.811  402.462   0.0000   0.0000  414.811  402.462  ?   ?    33.035   11.830 0.000000 11.82982 
1 1 1   31   35   10 o   14.635   7.3228 -985.7140  365.488   0.0000   0.0000 -985.7140  365.488  ?   ?    14.635   7.3228 0.000000 7.322777 
1 1 1   31   35   11 o   66.426   17.125  2154.26  929.518   0.0000   0.0000  2154.26  929.518  ?   ?    66.426   17.125 0.000000 17.12472 
1 1 1   31   37    0 o  101.815   35.255  6596.93  3552.54   0.0000   0.0000  6596.93  3552.54  ?   ?   101.815   35.255 0.000000 35.25515 
1 1 1   31   37    1 o   78.838   31.146  3303.88  2947.65   0.0000   0.0000  3303.88  2947.65  ?   ?    78.838   31.146 0.000000 31.14611 
1 1 1   31   37    2 o   81.256   31.693  3672.71  3018.46   0.0000   0.0000  3672.71  3018.46  ?   ?    81.256   31.693 0.000000 31.69266 
1 1 1   31   37    3 o   57.205   27.002 -1267.9940  3280.42   0.0000   0.0000 -1267.9940  3280.42  ?   ?    57.205   27.002 0.000000 27.00249 
1 1 1   31   37    4 o   65.838   29.080  1282.89  3050.91   0.0000   0.0000  1282.89  3050.91  ?   ?    65.838   29.080 0.000000 29.08024 
1 1 1   31   37    5 o   83.748   33.156  4422.97  3347.05   0.0000   0.0000  4422.97  3347.05  ?   ?    83.748   33.156 0.000000 33.15642 
1 1 1   31   37    6 o   80.557   34.324  4279.85  3947.66   0.0000   0.0000  4279.85  3947.66  ?   ?    80.557   34.324 0.000000 34.32433 
1 1 1   31   37    7 o   38.406   12.039  644.876  417.669   0.0000   0.0000  644.876  417.669  ?   ?    38.406   12.039 0.000000 12.03935 
1 1 1   31   37    8 o  100.064   11.322  4394.78  903.728   0.0000   0.0000  4394.78  903.728  ?   ?   100.064   11.322 0.000000 11.32226 
1 1 1   31   37    9 o   62.161   13.657  1801.87  670.475   0.0000   0.0000  1801.87  670.475  ?   ?    62.161   13.657 0.000000 13.65704 
1 1 1   31   39    0 o   88.823   36.177  6814.00  4105.27   0.0000   0.0000  6814.00  4105.27  ?   ?    88.823   36.177 0.000000 36.17651 
1 1 1   31   39    1 o   84.952   35.305  6034.95  4014.86   0.0000   0.0000  6034.95  4014.86  ?   ?    84.952   35.305 0.000000 35.30472 
1 1 1   31   39    2 o   75.804   33.712  4304.50  4168.84   0.0000   0.0000  4304.50  4168.84  ?   ?    75.804   33.712 0.000000 33.71201 
1 1 1   31   39    3 f   65.959   30.319  2036.18  3720.92   0.0000   0.0000  2036.18  3720.92  ?   ?    65.959   30.319 0.000000 30.31944 
1 1 1   31   39    4 o   69.040   31.703  3015.45  4054.17   0.0000   0.0000  3015.45  4054.17  ?   ?    69.040   31.703 0.000000 31.70336 
1 1 1   31   39    5 o   62.942   29.163  1824.92  3541.79   0.0000   0.0000  1824.92  3541.79  ?   ?    62.942   29.163 0.000000 29.16267 
1 1 1   32    0    0 o  655.782   46.244 178327.80 24342.65   0.0000   0.0000 178327.80 24342.65  655.782   46.244  655.782   46.244 0.000000 0.000000 
1 1 1   32    0    1 o  1135.05   54.451 531370.12 49920.16 564358.38 70675.57 498526.69 70520.23  1161.76   75.659  1088.70   80.798 0.000000 0.000000 
1 1 1   32    0    2 o  869.557   42.117 310741.81 29577.53 317294.69 41885.77 304224.31 41772.33  873.470   59.698  854.615   60.908 0.000000 0.000000 
1 1 1   32    0    3 o  583.881   28.941 139765.20 13643.78 135076.09 19378.31 144374.70 19213.19  570.673   42.357  590.812   40.487 0.000000 0.000000 
1 1 1   32    0    4 o  999.485   48.738 411412.41 39338.54 399771.69 55722.82 422978.41 55543.79  977.235   71.090  1006.59   68.693 0.000000 0.000000 
1 1 1   32    0    5 o  671.613   34.374 185307.70 18633.20 150535.91 26445.37 219589.30 26258.28  598.258   55.541  728.861   44.756 0.000000 0.000000 
1 1 1   32    0    6 o  940.768   46.130 365244.69 35044.22 352680.31 49659.51 377708.81 49461.11  915.702   67.638  949.411   64.856 0.000000 0.000000 
1 1 1   32    0    7 o  836.647   40.809 289092.81 27572.33 288226.41 39086.04 289950.91 38900.95  827.836   58.831  830.581   58.343 0.000000 0.000000 
1 1 1   32    0    8 o  260.360   13.833 27796.15  2905.47 31207.50  4209.79 24693.14  4015.03  274.880   19.072  243.621   20.638 0.000000 0.000000 
1 1 1   32    0    9 o  183.716   10.956 13864.58  1620.97 16730.95  2402.64 11469.90  2196.07  201.147   14.899  165.365   16.749 0.000000 0.000000 
1 1 1   32    0   10 f  121.938   9.5510  6152.94  932.298  6975.41  1451.06  5574.75  1216.64  128.593   14.355  114.733   13.557 0.000000 0.000000 
1 1 1   32    0   11 f  162.664   11.064 10907.07  1445.78 10943.82  2125.26 10875.40  1972.54  161.396   16.621  161.272   15.385 0.000000 0.000000 
1 1 1   32    0   12 o   43.969   21.331  1161.33  890.860  1161.33  890.860   0.0000   0.0000   43.969   21.331   43.969   21.331 0.000000 0.000000 
1 1 1   32    0   13 o  584.443   42.804 145189.91 20062.26 145189.91 20062.26   0.0000   0.0000  584.443   42.804  584.443   42.804 0.000000 0.000000 
1 1 1   32    0   15 f   54.931   21.727  1701.95  932.879   0.0000   0.0000  1701.95  932.879   54.931   21.727   54.931   21.727 0.000000 0.000000 
1 1 1   32    0   16 o  216.887   18.824 19772.55  3257.54   0.0000   0.0000 19772.55  3257.54  216.887   18.824  216.887   18.824 0.000000 0.000000 
1 1 1   32    0   17 o  177.995   12.973 13180.45  1852.01 12602.52  2867.18 13594.21  2426.03  170.248   21.704  179.280   17.018 0.000000 0.000000 
1 1 1   32    0   18 o  166.394   12.919 11570.70  1721.27 12277.04  2736.88 11108.50  2213.93  167.770   20.979  161.052   17.449 0.000000 0.000000 
1 1 1   32    0   19 o   29.618   18.253  304.667  857.230 -1659.4790  1526.30  1209.72  1036.07   26.014   18.325   44.065   22.676 0.000000 0.000000 
1 1 1   32    0   20 o   89.835   15.788  3639.14  1045.31  3829.84  1845.94  3549.12  1268.24   81.294   30.126   85.185   21.189 0.000000 0.000000 
1 1 1   32    0   21 o  123.230   15.560  6647.28  1489.40  5383.54  2681.46  7211.12  1791.11   91.922   36.928  126.775   18.565 0.000000 0.000000 
1 1 1   32    0   22 o  139.195   14.699  8426.38  1618.90  6847.87  2916.31  9129.47  1946.32  104.558   37.550  143.262   17.418 0.000000 0.000000 
1 1 1   32    0   23 o   82.197   22.961  3587.54  1325.99  2423.77  2916.37  3890.82  1488.77   55.864   34.067   84.143   25.037 0.000000 0.000000 
1 1 1   32    0   24 o   26.295   17.269   22.960  928.429   0.0000   0.0000   22.960  928.429   26.295   17.269   26.295   17.269 0.000000 0.000000 
1 1 1   32    2    0 o  1820.51   89.964 1410373.00 132983.80 1285868.00 188063.41 1534888.00 188071.59  1681.82  138.962  1856.19  125.523 -174.3704 187.2601 
1 1 1   32    2    1 o  1181.93   45.797 573970.69 43950.99 560784.88 53834.94 600324.12 76107.84  1164.50   56.936  1192.47   79.052 -27.97156 97.42127 
1 1 1   32    2    2 o  212.680   8.5882 18371.19  1483.09 18473.32  2083.27 18266.22  2111.83  212.884   12.102  211.666   12.341 1.217926 17.28489 
1 1 1   32    2    3 o  1275.54   43.216 667252.88 44758.34 667519.62 63283.68 666986.31 63312.04  1269.30   61.403  1268.77   61.456 0.5291748 86.87439 
1 1 1   32    2    4 o  1035.64   35.668 438563.19 29993.21 425377.00 42405.23 451763.59 42428.40  1014.74   51.637  1047.55   49.882 -32.80304 71.79548 
1 1 1   32    2    5 o  394.487   14.143 63258.88  4530.30 62613.32  6403.53 63905.79  6410.11  391.694   20.203  395.746   20.014 -4.051544 28.43769 
1 1 1   32    2    6 o  700.943   23.571 200346.30 13415.44 210415.20 18976.64 190286.70 18967.96  716.907   32.600  680.581   34.436 36.32581 47.41968 
1 1 1   32    2    7 o  623.223   25.021 158759.59 12661.78 169187.91 21870.51 153502.20 15528.91  638.001   42.461  610.848   31.415 27.15259 52.81887 
1 1 1   32    2    8 o  417.274   16.485 70964.02  5585.38 76791.13  6864.47 59548.54  9607.87  433.733   19.492  379.047   31.503 54.68561 37.04514 
1 1 1   32    2    9 o  428.958   14.705 74976.27  5121.73 78781.84  7257.88 71201.28  7228.66  438.975   20.363  416.626   21.441 22.34903 29.56948 
1 1 1   32    2   10 o  617.643   23.770 156510.50 11920.72 172505.59 20758.95 148640.91 14560.84  641.162   40.076  600.098   29.883 41.06360 49.99082 
1 1 1   32    2   11 o  149.271   11.156  9119.92  1342.42  9574.94  1940.30  8702.13  1859.23  152.352   15.920  145.144   16.044 7.208420 22.60228 
1 1 1   32    2   12 o  272.206   14.931 30331.54  3287.50 30878.21  4790.27 29844.83  4519.95  273.407   21.758  268.953   20.861 4.454529 30.14272 
1 1 1   32    2   13 o  116.207   8.8185  5525.59  825.878  5102.01  1055.14  6195.56  1326.98  111.264   11.862  122.485   13.571 -11.22086 18.02438 
1 1 1   32    2   14 o   83.338   10.806  2877.13  714.004  2556.48  868.085  3547.70  1255.37   77.902   14.249   91.536   17.529 -13.63451 22.58965 
1 1 1   32    2   15 o  409.791   17.185 68999.05  5718.21 71247.83  6985.88 64433.26  9954.18  415.294   20.717  389.302   31.767 25.99219 37.92583 
1 1 1   32    2   16 o  112.387   11.917  5227.06  1070.86  5544.18  1450.68  4847.35  1587.37  114.956   15.973  106.637   19.031 8.319160 24.84624 
1 1 1   32    2   17 o  128.508   9.5910  6792.09  993.556  8506.91  1561.23  5624.87  1288.05  143.050   13.605  115.985   13.957 27.06468 19.49110 
1 1 1   32    2   18 o  102.880   9.5990  4375.46  792.593  4125.43  1119.34  4626.89  1122.46   98.768   14.380  104.941   13.485 -6.172974 19.71341 
1 1 1   32    2   19 o   69.994   12.205  2083.40  668.423  2310.75  961.390  1870.67  929.979   72.759   16.635   65.430   17.257 7.329605 23.96957 
1 1 1   32    2   20 o   24.012   11.173 -465.1146  528.529 -58.3433  668.291 -1144.4260  863.625   32.123   13.909   27.975   13.388 4.147127 19.30602 
1 1 1   32    2   21 o  124.697   10.012  6482.39  1005.12  5659.45  1369.64  7442.82  1479.64  114.557   15.092  132.093   14.009 -17.53664 20.59205 
1 1 1   32    2   22 o   30.231   13.152 -56.0700  603.184 -110.8917  878.355  -7.1444  829.778   35.803   15.716   35.861   15.514 -0.5786514E-01 22.08334 
1 1 1   32    2   23 o  102.901   11.877  4571.96  974.099  4758.40  1352.96  4371.29  1403.61  102.062   16.919   96.680   18.555 5.381691 25.11019 
1 1 1   32    2   24 o   81.779   15.243  3103.01  974.929  4305.51  1359.99  1831.77  1398.32   94.126   18.454   60.631   22.006 33.49434 28.71963 
1 1 1   32    4    0 o  714.572   49.863 211260.41 28749.50   0.0000   0.0000 211260.41 28749.50  ?   ?   714.572   49.863 0.000000 49.86282 
1 1 1   32    4    1 o  1042.82   41.943 445869.91 35514.87 458148.00 43484.26 421271.91 61548.64  1054.67   50.778  999.723   76.401 54.95081 91.73643 
1 1 1   32    4    2 o  297.717   11.753 36011.92  2841.21 40772.91  3983.50 31081.91  4053.58  316.697   15.491  275.844   18.201 40.85333 23.90052 
1 1 1   32    4    3 o  1122.15   38.402 515413.69 34990.16 506901.59 49459.76 523942.09 49507.39  1108.12   54.970  1126.89   54.107 -18.76221 77.13128 
1 1 1   32    4    4 o  772.596   26.285 243321.41 16489.28 240353.80 23314.01 246291.70 23324.72  766.266   37.471  775.748   37.030 -9.481995 52.68153 
1 1 1   32    4    5 o  266.612   10.131 28878.31  2193.23 32905.71  3107.43 24880.50  3095.99  284.521   13.451  246.869   15.524 37.65211 20.54090 
1 1 1   32    4    6 o  144.142   7.7505  8463.96  903.779  8820.64  1529.12  8272.46  1120.43  146.720   12.969  142.352   9.7523 4.367203 16.22667 
1 1 1   32    4    7 o  491.758   19.473 98619.71  7775.35 111910.10 13598.95 92164.72  9477.29  520.837   32.316  474.115   24.704 46.72278 40.67672 
1 1 1   32    4    8 o  565.862   22.169 130969.10 10185.57 147228.41 17785.56 123034.10 12424.85  594.951   37.000  546.529   28.094 48.42194 46.45725 
1 1 1   32    4    9 o  436.982   20.974 78115.79  7442.06 90417.10 10660.30 66421.18 10394.08  467.892   28.191  399.645   32.308 68.24780 42.87817 
1 1 1   32    4   10 o  531.027   26.407 116012.30 11386.14 116012.30 11386.14   0.0000   0.0000  531.027   26.407  ?   ?  0.000000 26.40718 
1 1 1   32    4   11 o  570.718   22.720 133705.91 10528.53 133236.80 12926.86 134630.50 18146.17  568.091   28.024  565.047   39.806 3.043701 48.68138 
1 1 1   32    4   12 o  435.644   17.731 77644.47  6272.06 81730.80 11034.02 75693.87  7623.46  442.521   30.903  428.717   21.974 13.80414 37.91869 
1 1 1   32    4   13 o  363.356   13.471 53876.04  3974.38 55451.85  5654.26 52337.16  5587.58  367.224   19.028  356.651   19.367 10.57281 27.15094 
1 1 1   32    4   14 o  433.306   15.336 76819.95  5395.70 78140.82  7665.03 75522.49  7596.78  435.333   21.685  427.358   21.967 7.975037 30.86703 
1 1 1   32    4   15 o  123.884   8.1324  6275.07  813.491  5712.60  1179.84  6784.79  1123.15  117.571   12.553  128.498   10.867 -10.92750 16.60312 
1 1 1   32    4   16 o  126.843   10.193  6615.38  1040.94  7091.35  1255.50  5568.66  1861.84  131.062   11.928  113.932   20.896 17.13016 24.06109 
1 1 1   32    4   17 o  142.612   10.298  8374.07  1184.43  8534.28  1412.75  7995.08  2172.93  143.567   12.236  136.653   20.192 6.914200 23.60968 
1 1 1   32    4   18 o   90.792   13.728  3486.73  980.440  4229.52  1211.35  2075.92  1669.44   99.699   15.465   71.145   24.183 28.55431 28.70526 
1 1 1   32    4   19 o  161.802   10.180 10818.30  1330.66 11515.76  2116.88 10362.68  1710.94  164.889   16.013  157.292   13.528 7.597122 20.96258 
1 1 1   32    4   20 o  223.428   10.504 20642.35  1905.65 19949.52  2705.11 21324.92  2684.99  216.876   15.463  224.655   14.802 -7.779495 21.40576 
1 1 1   32    4   21 o   99.614   10.598  4167.60  844.009  4369.24  1135.28  3918.44  1261.97  100.714   14.283   94.126   17.144 6.587540 22.31380 
1 1 1   32    4   22 f   25.698   11.687 -290.0841  533.664 -193.6857  642.814 -503.8780  957.300   29.651   13.209   34.003   15.537 -4.351990 20.39264 
1 1 1   32    4   23 o   97.822   11.145  4112.94  869.396  3468.28  1142.05  5001.42  1340.73   86.773   16.816  104.970   16.256 -18.19719 23.38893 
1 1 1   32    4   24 o   41.743   15.585  691.272  709.700  1354.89  942.555 -177.4970  1078.45   53.446   18.171   37.513   16.879 15.93329 24.80120 
1 1 1   32    6    0 o  915.398   63.885 349702.19 47186.01   0.0000   0.0000 349702.19 47186.01  ?   ?   915.398   63.885 0.000000 63.88467 
1 1 1   32    6    1 o  467.245   23.335 88906.19  8853.13 89283.89 12572.93 88534.75 12468.14  466.311   33.428  464.363   33.289 1.948517 47.17612 
1 1 1   32    6    2 o  1052.95   51.041 456778.19 43637.68 437876.50 61764.34 475617.09 61661.78  1019.81   75.119  1064.70   71.744 -44.89160 103.8752 
1 1 1   32    6    3 o  951.573   35.084 370293.09 27107.69 420432.81 38324.46 320092.50 38347.68  1011.14   46.680  878.814   54.002 132.3258 71.38081 
1 1 1   32    6    4 o  881.519   42.250 319178.59 30240.79   0.0000   0.0000 319178.59 30240.79  ?   ?   881.519   42.250 0.000000 42.24964 
1 1 1   32    6    5 o  607.467   24.064 150504.91 11869.58 158186.09 20695.96 146739.91 14489.40  618.664   41.439  599.090   29.787 19.57349 51.03368 
1 1 1   32    6    6 o  753.090   36.088 233398.59 22067.49 251074.80 31298.39 215924.80 31118.67  774.815   50.016  716.611   53.875 58.20319 73.51302 
1 1 1   32    6    7 o  982.769   39.313 400344.69 31370.58 426973.00 38433.56 347192.59 54299.88  1010.58   46.838  888.057   76.038 122.5214 89.30596 
1 1 1   32    6    8 o  244.267   11.090 24272.66  2199.51 26478.69  2710.11 20015.38  3764.84  254.685   13.150  220.208   21.323 34.47649 25.05189 
1 1 1   32    6    9 o  512.467   20.619 107439.90  8579.69 106645.60 10528.78 109009.80 14802.03  509.553   25.448  511.088   35.896 -1.534668 44.00160 
1 1 1   32    6   10 o  691.153   23.910 196154.20 13418.42 204144.59 19015.31 188228.59 18937.94  701.330   33.392  671.964   34.829 29.36633 48.25024 
1 1 1   32    6   11 o  360.192   13.017 52872.46  3807.14 52158.82  5419.25 53567.89  5349.63  356.536   18.786  361.432   18.288 -4.895599 26.21782 
1 1 1   32    6   12 o  183.292   8.1555 13662.69  1213.76 14640.75  1751.67 12759.40  1683.39  189.239   11.454  176.574   11.810 12.66571 16.45167 
1 1 1   32    6   13 o  456.042   16.092 85079.81  5958.59 83277.13  8466.93 86848.63  8387.06  448.741   23.318  459.098   22.499 -10.35663 32.40278 
1 1 1   32    6   14 o  338.207   12.627 46698.41  3467.66 45699.42  4936.88 47671.21  4871.78  333.059   18.326  340.356   17.689 -7.297302 25.47079 
1 1 1   32    6   15 f  389.324   14.167 62110.29  4478.59 62916.18  6377.52 61326.18  6290.75  389.480   20.236  384.521   20.220 4.959198 28.60650 
1 1 1   32    6   16 o   74.382   8.8059  2289.00  521.517  3345.51  740.589  1249.73  734.521   89.876   10.337   54.437   15.732 35.43865 18.82371 
1 1 1   32    6   17 o  317.706   12.477 41559.73  3218.75 44602.39  4598.87 38638.01  4506.55  326.554   17.407  303.361   18.382 23.19342 25.31639 
1 1 1   32    6   18 o  160.575   10.595 10646.33  1373.57 11363.34  1665.65  9122.44  2428.29  165.388   12.496  144.914   21.270 20.47424 24.66914 
1 1 1   32    6   19 o  182.846   11.319 13868.33  1672.23 14306.68  2013.56 12894.02  3001.95  184.901   13.505  171.293   22.099 13.60782 25.89897 
1 1 1   32    6   20 o   55.159   14.697  1326.82  670.133  2698.57  907.678 -316.7807  993.557   78.901   14.709   36.743   16.391 42.15731 22.02337 
1 1 1   32    6   21 o  136.437   10.274  7775.49  1129.87  8189.33  1643.85  7404.91  1555.56  137.969   14.911  131.148   14.871 6.820129 21.05887 
1 1 1   32    6   22 o   81.223   12.100  2845.68  773.632  2875.31  1017.40  2805.05  1191.20   79.923   16.232   77.685   19.034 2.238121 25.01533 
1 1 1   32    6   23 o   54.952   14.812  1380.22  675.921  1364.43  836.539  1409.92  1147.21   54.471   17.032   56.059   19.984 -1.587818 26.25731 
1 1 1   32    8    0 f  761.683   53.226 240646.30 32711.10   0.0000   0.0000 240646.30 32711.10  ?   ?   761.683   53.226 0.000000 53.22567 
1 1 1   32    8    1 o  711.986   49.778 209861.30 28595.84   0.0000   0.0000 209861.30 28595.84  ?   ?   711.986   49.778 0.000000 49.77766 
1 1 1   32    8    2 f  1146.55   80.973 558090.38 74897.92   0.0000   0.0000 558090.38 74897.92  ?   ?   1146.55   80.973 0.000000 80.97310 
1 1 1   32    8    3 f  987.844   47.549 402325.00 38139.09 419322.91 53995.28 385400.59 53878.53  998.995   66.954  956.120   69.885 42.87524 96.78172 
1 1 1   32    8    4 o  463.470   16.599 87400.70  6246.41 91317.76  7626.38 79417.35 10887.57  473.517   19.836  439.571   30.697 33.94574 36.54816 
1 1 1   32    8    5 o  390.670   17.758 62160.49  5632.96 68552.80  6884.94 49218.48  9796.53  409.505   20.774  344.221   35.563 65.28369 41.18641 
1 1 1   32    8    6 o  374.979   14.479 57239.27  4408.38 59247.34  5395.91 53208.67  7644.71  381.269   17.430  359.475   26.375 21.79388 31.61415 
1 1 1   32    8    7 o  477.510   16.166 92952.05  6268.07 101911.50  8888.69 84089.91  8840.28  499.134   21.932  452.408   24.153 46.72543 32.62496 
1 1 1   32    8    8 o  1002.45   40.245 419586.19 32757.37 454943.81 40151.99 349214.19 56645.63  1038.08   47.636  876.429   80.499 161.6538 93.53806 
1 1 1   32    8    9 o  222.631   9.6434 20158.32  1743.23 20097.52  2143.34 20277.13  2996.24  221.871   11.941  222.270   16.724 -0.3996887 20.55000 
1 1 1   32    8   10 o  654.939   22.661 176048.41 12051.01 180116.70 17082.37 172017.59 17003.32  658.964   31.926  642.886   32.681 16.07861 45.68726 
1 1 1   32    8   11 o  509.069   18.359 106061.50  7588.65 104065.20 10773.98 108027.00 10690.46  501.398   26.559  511.136   25.842 -9.737671 37.05661 
1 1 1   32    8   12 o  392.898   14.438 63027.95  4605.95 62233.95  6557.65 63801.05  6470.81  388.684   20.855  393.705   20.311 -5.021454 29.11104 
1 1 1   32    8   13 f  250.744   10.522 25614.08  2142.17 23719.65  3058.33 27438.67  3001.44  240.273   15.764  258.747   14.342 -18.47490 21.31182 
1 1 1   32    8   14 o  243.043   10.352 24080.36  2042.97 23768.47  2929.81 24375.53  2850.23  240.450   15.083  243.632   14.473 -3.181702 20.90364 
1 1 1   32    8   15 o  339.743   13.018 47280.50  3591.04 46785.95  5132.50 47754.77  5026.17  335.815   18.900  339.510   18.300 -3.695160 26.30780 
1 1 1   32    8   16 f  182.509   8.5864 13598.02  1272.43 13225.96  1818.79 13954.70  1780.78  179.003   12.594  184.031   11.983 -5.028198 17.38365 
1 1 1   32    8   17 o  119.900   8.3589  5904.35  808.686  5977.08  1166.77  5837.10  1121.86  119.883   12.154  118.535   11.813 1.347389 16.94957 
1 1 1   32    8   18 o  389.479   14.083 63072.30  4453.79 66761.43  6373.74 59552.14  6226.08  395.658   19.903  372.962   20.640 22.69571 28.67297 
1 1 1   32    8   19 o   68.632   11.102  1994.31  597.572  3015.51  739.884   78.431  1013.43   84.747   11.013   40.917   17.412 43.83031 20.60198 
1 1 1   32    8   20 o   57.005   15.684  1424.08  748.750  1461.74  831.383  1262.40  1722.71   57.791   16.747   61.493   23.954 -3.701900 29.22801 
1 1 1   32    8   21 o  195.264   12.050 16068.41  1901.21 14924.28  2259.38 18843.57  3518.83  186.251   15.069  203.652   21.610 -17.40121 26.34539 
1 1 1   32    8   22 o   74.777   12.199  2428.88  715.130  2476.31  914.644  2354.28  1147.06   74.083   15.693   70.786   19.387 3.297569 24.94264 
1 1 1   32    8   23 o   61.833   13.776  1735.13  673.940  2530.84  825.733  147.494  1166.37   74.835   14.107   42.126   18.308 32.70934 23.11264 
1 1 1   32   10    0 o  592.839   41.921 145159.50 20049.08   0.0000   0.0000 145159.50 20049.08  ?   ?   592.839   41.921 0.000000 41.92073 
1 1 1   32   10    1 o  471.924   23.574 90786.85  9033.25 96070.45 12846.64 85619.55 12704.45  483.436   32.924  455.958   34.573 27.47797 47.74147 
1 1 1   32   10    2 f  878.119   42.214 317490.91 30098.58 348034.50 42623.63 287112.31 42508.27  912.127   57.851  825.403   63.925 86.72406 86.21547 
1 1 1   32   10    3 o  354.274   18.586 51256.18  5327.81 52362.57  7606.65 50190.69  7464.66  357.029   26.427  349.496   26.502 7.533997 37.42629 
1 1 1   32   10    4 o  312.301   14.584 39689.27  3698.21 31160.74  6585.62 43617.48  4469.48  274.084   30.087  326.827   16.900 -52.74371 34.50850 
1 1 1   32   10    5 o  328.923   14.013 44038.36  3742.51 47455.68  6679.16 42474.40  4518.45  339.698   24.377  322.348   17.327 17.35034 29.90792 
1 1 1   32   10    6 o  358.067   13.385 52199.55  3891.64 58498.90  5509.70 45927.97  5497.54  378.633   17.921  334.647   20.328 43.98581 27.10022 
1 1 1   32   10    7 o  122.294   7.9525  6104.17  785.379  7190.09  973.699  4082.20  1328.66  132.673   9.0935   98.606   17.222 34.06737 19.47492 
1 1 1   32   10    8 o  120.066   7.2026  5879.37  698.938  7310.35  983.868  4421.44  993.093  133.774   9.1122  103.524   12.039 30.25062 15.09884 
1 1 1   32   10    9 o   63.290   8.0483  1654.60  404.242  1630.22  465.873  1728.88  813.245   62.611   9.4587   63.839   15.779 -1.227505 18.39708 
1 1 1   32   10   10 o  626.891   20.493 161095.09 10430.98 159740.09 14783.73 162438.41 14719.75  621.137   29.313  626.517   28.935 -5.380127 41.18862 
1 1 1   32   10   11 o  439.666   15.230 78952.46  5436.92 78955.59  7724.25 78949.37  7654.17  438.322   21.703  438.353   21.505 -0.3103638E-01 30.55300 
1 1 1   32   10   12 o   61.604   8.6660  1574.34  421.492  1984.27  585.504  1133.40  607.250   68.972   10.810   51.841   14.068 17.13039 17.74136 
1 1 1   32   10   13 o  361.794   13.227 53462.14  3885.53 55595.35  5543.69 51402.30  5447.51  367.400   18.644  353.120   19.070 14.27997 26.66978 
1 1 1   32   10   14 o  316.966   12.490 41068.61  3214.49 41175.92  4594.89 40965.75  4498.58  315.730   17.998  315.022   17.658 0.7084351 25.21394 
1 1 1   32   10   15 o  346.293   12.951 49194.09  3641.67 46817.13  5203.43 51476.06  5098.38  335.246   19.195  352.159   17.889 -16.91324 26.23882 
1 1 1   32   10   16 o   79.451   8.5262  2607.65  541.438  2298.06  743.940  2956.34  789.509   73.682   12.905   84.026   11.905 -10.34386 17.55748 
1 1 1   32   10   17 o  231.384   10.007 21969.04  1880.15 23035.40  2723.54 20998.18  2598.72  235.219   14.328  224.541   14.328 10.67859 20.26342 
1 1 1   32   10   18 o  250.558   10.637 25867.99  2164.03 27864.97  3124.26 24026.32  3000.31  257.792   14.991  239.032   15.543 18.75908 21.59410 
1 1 1   32   10   19 o   67.100   12.229  1926.40  641.734  1766.42  789.414  2238.13  1101.94   63.526   15.452   70.967   18.817 -7.440647 24.34872 
1 1 1   32   10   20 o   29.466   12.097  134.445  463.569  225.223  531.209 -155.4773  949.326   32.588   13.106   37.138   16.320 -4.549942 20.93074 
1 1 1   32   10   21 o  127.575   9.5059  6797.27  977.619  7013.79  1288.97  6504.03  1500.03  128.309   12.532  122.038   15.487 6.271065 19.92205 
1 1 1   32   10   22 o  125.814   12.478  6829.49  1257.92  7273.71  1419.67  5206.47  2713.61  129.077   13.758   95.841   30.764 33.23573 33.69994 
1 1 1   32   10   23 o   45.994   14.835  948.768  630.471  1169.44  654.544 -1886.7920  2346.28   50.384   14.933   45.436   21.830 4.948151 26.44873 
1 1 1   32   12    0 o   78.478   9.2941  2537.59  580.730   0.0000   0.0000  2537.59  580.730  ?   ?    78.478   9.2941 0.000000 9.294143 
1 1 1   32   12    1 o  306.295   13.610 38162.77  3384.73 38351.21  5976.64 38073.79  4106.78  305.449   24.299  305.341   16.627 0.1077881 29.44305 
1 1 1   32   12    2 o  186.366   6.3934 14107.46  967.473 18651.39  1747.02 12097.54  1161.91  214.214   10.044  172.552   8.2930 41.66121 13.02531 
1 1 1   32   12    3 o  276.242   12.785 31046.53  2867.77 33043.86  5194.96 30171.10  3439.30  283.440   22.765  271.728   15.655 11.71219 27.62781 
1 1 1   32   12    4 o  460.154   19.345 86443.79  7227.92 80284.16 12727.17 89376.18  8781.45  439.075   36.016  467.335   23.142 -28.25946 42.81010 
1 1 1   32   12    5 o  398.212   20.984 65029.93  6761.03 60506.86  9790.31 69153.64  9348.10  381.546   31.894  409.034   28.321 -27.48831 42.65347 
1 1 1   32   12    6 f  206.401   10.102 17327.30  1693.03 17764.19  3152.52 17150.22  2007.02  207.670   18.903  204.906   12.117 2.764450 22.45299 
1 1 1   32   12    7 o  565.576   22.797 131162.91 10469.24 133164.80 18394.36 130203.70 12732.72  562.571   40.541  562.122   27.897 0.4497681 49.21136 
1 1 1   32   12    8 o  506.264   20.877 104999.60  8581.93 101926.30 15132.34 106456.80 10419.62  492.306   38.154  508.713   25.226 -16.40674 45.73881 
1 1 1   32   12    9 f  476.926   16.835 92943.40  6519.25 94156.78  9235.43 91738.27  9203.89  478.499   23.770  471.637   24.115 6.862244 33.86072 
1 1 1   32   12   10 o  627.535   21.484 161756.80 10946.76 161053.91 15506.84 162455.09 15455.41  622.419   30.683  625.234   30.444 -2.815674 43.22377 
1 1 1   32   12   11 o  319.902   11.279 41698.61  2929.61 39303.90  4163.18 44047.63  4123.29  309.485   16.628  328.264   15.470 -18.77850 22.71132 
1 1 1   32   12   12 o  288.416   13.096 33960.36  3066.88 35317.80  5690.27 33404.59  3640.96  291.202   24.287  285.263   15.781 5.939728 28.96382 
1 1 1   32   12   13 o  361.968   12.892 53543.87  3789.17 51521.71  5401.05 55503.81  5317.32  353.255   18.899  367.436   17.823 -14.18057 25.97697 
1 1 1   32   12   14 o  332.560   12.134 45254.64  3276.47 42175.74  4674.38 48228.45  4593.91  319.028   18.120  342.166   16.535 -23.13770 24.53029 
1 1 1   32   12   15 o  187.354   8.7957 14332.89  1338.04 14619.08  1932.41 14069.31  1854.53  188.213   12.719  184.691   12.439 3.522141 17.79088 
1 1 1   32   12   16 o  189.559   9.2919 14709.92  1430.17 15885.11  2070.88 13638.34  1977.49  195.771   13.103  181.207   13.538 14.56343 18.84064 
1 1 1   32   12   17 o  131.921   8.2178  7148.93  875.879  6737.33  1201.24  7616.16  1279.85  127.265   11.758  135.372   11.761 -8.107208 16.62990 
1 1 1   32   12   18 o  192.107   9.4423 15176.57  1472.85 13647.52  2078.19 16719.63  2087.69  180.168   14.324  200.143   12.915 -19.97546 19.28707 
1 1 1   32   12   19 o  223.345   10.273 20632.71  1862.94 20783.41  2651.46 20485.79  2618.05  221.520   14.827  219.973   14.743 1.546875 20.90922 
1 1 1   32   12   20 o   57.243   12.176  1422.77  548.543  1029.88  617.934  2883.31  1191.42   48.793   14.521   79.767   18.717 -30.97434 23.68929 
1 1 1   32   12   21 o   35.068   13.122  414.544  503.685   61.781  565.223  1775.12  1110.04   30.740   13.039   62.355   19.640 -31.61459 23.57471 
1 1 1   32   12   22 o   85.672   10.579  3150.52  720.299  3121.39  867.652  3215.09  1291.99   84.086   13.138   81.592   19.720 2.493126 23.69607 
1 1 1   32   12   23 o   81.267   12.309  2946.38  786.778  2471.60  844.583  6062.95  2163.91   72.900   14.774  103.464   25.836 -30.56339 29.76209 
1 1 1   32   14    0 f  439.344   22.520 79162.77  8006.62   0.0000   0.0000 79162.77  8006.62  ?   ?   439.344   22.520 0.000000 22.52001 
1 1 1   32   14    1 o  276.031   15.705 31150.98  3505.30   0.0000   0.0000 31150.98  3505.30  ?   ?   276.031   15.705 0.000000 15.70463 
1 1 1   32   14    2 o  597.442   29.603 146988.70 14360.33 121200.80 25104.56 159530.50 17507.49  528.527   59.536  619.771   34.932 -91.24396 69.02737 
1 1 1   32   14    3 o  187.036   11.947 14295.08  1804.81 12793.85  2897.14 15247.19  2307.20  175.678   20.708  192.860   14.848 -17.18175 25.48084 
1 1 1   32   14    4 o  497.817   19.588 101316.20  7917.81 110520.20 13982.82 96972.16  9606.29  515.445   33.593  485.494   24.447 29.95093 41.54733 
1 1 1   32   14    5 o  402.479   16.172 66092.38  5285.02 73055.41  9424.21 62898.01  6383.21  420.249   27.775  391.593   20.144 28.65634 34.31075 
1 1 1   32   14    6 o  306.299   13.301 38224.61  3308.12 39590.46  6005.61 37629.65  3963.67  309.574   24.082  303.227   16.157 6.347321 28.99949 
1 1 1   32   14    7 o  188.822   9.9478 14545.69  1519.79 14965.77  2944.07 14393.07  1774.51  190.278   19.324  187.650   11.705 2.627960 22.59217 
1 1 1   32   14    8 o  136.411   11.948  7637.22  1310.03  7743.55  2006.99  7558.29  1729.22  136.325   18.618  135.100   16.079 1.224991 24.60047 
1 1 1   32   14    9 o  361.437   15.808 53377.36  4639.24 49750.77  8361.90 54990.07  5576.15  344.823   30.169  365.896   18.833 -21.07285 35.56470 
1 1 1   32   14   10 o  150.145   9.6731  9214.53  1172.99  8063.22  2405.80  9573.57  1343.50  138.303   22.173  152.919   10.891 -14.61598 24.70310 
1 1 1   32   14   11 o  139.288   7.3721  7912.28  830.790  7453.69  1134.32  8442.93  1220.20  134.861   10.440  143.570   10.541 -8.708954 14.83599 
1 1 1   32   14   12 o  434.914   18.904 77834.45  6675.80 68507.78 11992.24 82022.52  8036.07  398.813   37.473  445.324   22.224 -46.51111 43.56757 
1 1 1   32   14   13 o  326.476   12.150 43585.45  3220.81 41518.30  4579.21 45609.32  4531.00  316.839   17.873  332.464   16.840 -15.62503 24.55610 
1 1 1   32   14   14 o  152.648   8.5232  9535.79  1052.19 11221.38  1485.90  7840.53  1490.16  165.193   11.143  137.482   13.524 27.71118 17.52328 
1 1 1   32   14   15 o  221.247   9.6620 20038.57  1735.72 20598.77  2482.84 19503.08  2427.47  222.964   13.782  216.908   13.855 6.055099 19.54247 
1 1 1   32   14   16 f   41.861   9.3352  746.177  309.220  1260.11  345.580 -1317.8311  692.547   54.961   7.9769   22.842   11.176 32.11850 13.73061 
1 1 1   32   14   17 o  130.239   8.1250  6973.33  854.929  6780.24  1168.36  7195.87  1254.32  127.648   11.392  131.392   11.886 -3.743973 16.46374 
1 1 1   32   14   18 o   41.348   11.066  732.301  378.860  1098.68  415.825 -1057.8740  919.167   50.679   10.452   29.790   14.131 20.88921 17.57617 
1 1 1   32   14   19 o   40.096   12.235  676.741  434.721  523.532  477.635  1416.24  1049.35   37.092   12.922   57.774   19.170 -20.68213 23.11861 
1 1 1   32   14   20 o   73.155   9.9108  2263.86  573.541  2630.06  645.707  894.804  1248.50   78.810   10.340   52.170   20.373 26.64061 22.84680 
1 1 1   32   14   21 o   98.768   10.045  4131.22  794.331  4229.78  968.133  3928.19  1389.47   98.955   12.316   91.538   19.302 7.416939 22.89641 
1 1 1   32   14   22 o   80.826   10.992  2838.27  702.665  3521.96  815.922  875.558  1382.44   89.941   11.431   51.113   20.925 38.82763 23.84388 
1 1 1   32   16    0 o  552.820   27.949 126267.90 12504.91   0.0000   0.0000 126267.90 12504.91  ?   ?   552.820   27.949 0.000000 27.94929 
1 1 1   32   16    1 o  134.060   11.991  7374.74  1291.45   0.0000   0.0000  7374.74  1291.45  ?   ?   134.060   11.991 0.000000 11.99082 
1 1 1   32   16    2 o  408.254   17.689 68081.30  5863.82 66695.02 10233.06 68759.04  7155.05  400.193   31.753  409.111   21.616 -8.918488 38.41203 
1 1 1   32   16    3 o  343.284   11.604 47971.59  3234.54 54806.55  6716.25 45907.58  3690.75  364.838   22.786  335.654   13.542 29.18399 26.50637 
1 1 1   32   16    4 o  343.166   15.664 48052.46  4364.58 40854.41  7907.41 51206.26  5234.12  312.518   31.596  353.459   18.300 -40.94119 36.51279 
1 1 1   32   16    5 o  546.672   22.612 122671.20 10036.99 112793.80 17716.82 127339.60 12180.13  515.456   42.716  555.686   26.995 -40.23022 50.53083 
1 1 1   32   16    6 o  194.643   11.288 15477.45  1776.32  9008.94  3441.57 17826.41  2073.92  144.874   30.234  208.826   12.285 -63.95178 32.63488 
1 1 1   32   16    7 o  306.411   12.321 38259.53  3065.44 50495.31  5704.20 33290.92  3634.93  350.364   20.136  285.058   15.766 65.30630 25.57353 
1 1 1   32   16    8 o   60.104   16.162  1526.91  805.871 -509.1158  1362.78  2621.73  999.319   43.328   19.272   78.664   16.185 -35.33638 25.16665 
1 1 1   32   16    9 o  289.565   13.367 34219.61  3142.80 32664.40  5887.37 34839.42  3716.66  279.682   26.231  291.462   15.763 -11.78009 30.60352 
1 1 1   32   16   10 o  439.826   18.618 79425.16  6648.77 76682.21 11955.82 80653.26  7999.89  424.943   34.961  441.577   22.385 -16.63348 41.51323 
1 1 1   32   16   11 o  233.227   12.446 22275.47  2348.43 14418.43  4522.84 25175.71  2747.89  182.681   31.637  247.767   13.712 -65.08527 34.48117 
1 1 1   32   16   12 o  194.577   11.080 15509.75  1743.23 13426.82  3590.21 16152.32  1994.07  177.442   25.664  198.351   12.444 -20.90897 28.52210 
1 1 1   32   16   13 o  287.678   13.305 33982.37  3107.74 43192.18  6196.50 30887.26  3592.19  319.455   24.066  273.042   16.277 46.41367 29.05333 
1 1 1   32   16   14 o  313.444   14.284 40577.42  3635.30 49240.67  7174.19 37584.54  4216.75  337.586   26.382  299.974   17.387 37.61148 31.59651 
1 1 1   32   16   15 o  224.742   9.7134 20708.51  1772.53 22633.47  2551.27 18912.30  2464.47  233.522   13.513  213.104   14.326 20.41821 19.69349 
1 1 1   32   16   16 o  103.744   8.1262  4432.31  679.052  5245.00  866.839  3141.42  1092.49  112.620   9.5701   85.219   16.384 27.40180 18.97409 
1 1 1   32   16   17 o   83.702   8.4567  2903.47  566.860  2900.68  690.346  2909.25  993.185   83.221   10.447   81.948   15.494 1.272430 18.68670 
1 1 1   32   16   18 o   27.503   10.683  201.121  341.918  168.746  365.713  425.904  963.648   27.482   10.935   43.599   17.610 -16.11766 20.72908 
1 1 1   32   16   19 o   91.391   8.7720  3480.64  642.941  3941.23  750.322  2208.01  1247.20   97.049   9.6497   69.544   20.614 27.50497 22.76085 
1 1 1   32   16   20 o   68.813   9.9799  2015.86  541.344  2116.54  600.079  1575.76  1254.61   70.254   10.871   59.967   20.941 10.28761 23.59396 
1 1 1   32   16   21 o  113.102   9.9571  5431.62  905.087  6007.11  1083.51  4102.98  1646.34  118.182   11.434   90.388   22.516 27.79337 25.25288 
1 1 1   32   16   22 o   65.682   10.650  1894.49  548.524  1926.17  598.935  1729.67  1365.99   65.783   11.639   59.156   21.707 6.626808 24.63061 
1 1 1   32   18    0 o  331.082   18.420 44976.84  4932.16   0.0000   0.0000 44976.84  4932.16  ?   ?   331.082   18.420 0.000000 18.41978 
1 1 1   32   18    1 o  401.537   21.424 66313.59  6959.73   0.0000   0.0000 66313.59  6959.73  ?   ?   401.537   21.424 0.000000 21.42401 
1 1 1   32   18    2 f  240.653   12.607 23660.83  2454.96 25012.28  4378.63 23041.23  2964.78  245.879   22.170  237.089   15.486 8.789993 27.04330 
1 1 1   32   18    3 o  299.367   14.429 36560.13  3507.46 37801.52  6136.27 35957.72  4274.59  301.905   25.264  295.984   17.870 5.920959 30.94554 
1 1 1   32   18    4 o  305.079   12.887 37936.90  3192.20 36832.30  6674.77 38264.47  3634.83  297.179   27.992  306.219   14.619 -9.039825 31.57910 
1 1 1   32   18    5 o  366.278   16.842 54856.01  5008.99 48572.26  9119.04 57571.15  5994.25  339.616   33.506  374.220   19.798 -34.60480 38.91780 
1 1 1   32   18    6 o  295.513   13.975 35638.91  3353.37 30308.97  6235.58 37807.55  3977.50  268.763   29.035  303.680   16.189 -34.91711 33.24363 
1 1 1   32   18    7 o  151.819   13.542  9480.29  1651.86  9411.02  2586.79  9527.98  2146.51  149.707   21.931  151.500   17.788 -1.792389 28.23767 
1 1 1   32   18    8 o  291.370   13.579 34664.32  3212.51 34730.23  6094.80 34638.96  3780.27  288.269   26.330  290.495   16.090 -2.226501 30.85647 
1 1 1   32   18    9 o  640.320   25.947 170297.70 13490.31 171686.09 23926.81 169650.70 16334.05  625.195   47.489  635.615   31.649 -10.41968 57.06860 
1 1 1   32   18   10 o  339.117   15.558 47136.45  4283.83 43823.70  8021.70 48458.14  5066.83  321.093   31.160  342.755   18.272 -21.66205 36.12232 
1 1 1   32   18   11 o  467.522   20.181 90513.37  7660.87 86050.42 13898.14 92461.21  9181.70  442.761   39.059  469.982   24.142 -27.22046 45.91786 
1 1 1   32   18   12 o   87.596   12.594  3209.57  869.991  6606.91  2288.96  2635.91  940.579  123.454   23.696   78.690   15.272 44.76439 28.19110 
1 1 1   32   18   13 o   60.342   14.558  1563.60  705.038  2542.19  2781.78  1496.43  728.836   83.241   30.900   59.035   15.134 24.20612 34.40668 
1 1 1   32   18   14 o   32.466   13.550   95.689  595.069 -1213.0300  2393.21  181.935  614.364   54.144   24.671   34.141   13.960 20.00302 28.34727 
1 1 1   32   18   15 o   47.261   15.943  881.376  725.499 -4016.8679  3218.79  1143.54  744.661   53.231   25.573   52.150   16.031 1.081394 30.18250 
1 1 1   32   18   16 o  146.663   12.025  8973.43  1419.42 13227.41  4329.87  8461.23  1502.44  165.587   33.357  142.005   13.181 23.58165 35.86696 
1 1 1   32   18   17 o  123.904   13.498  6500.49  1336.02  5679.82  4506.99  6579.54  1398.89  105.999   39.334  124.437   14.094 -18.43784 41.78288 
1 1 1   32   18   18 o  208.621   13.416 18420.27  2260.54 25288.64  6284.74 17399.63  2422.68  219.291   36.585  201.789   14.892 17.50220 39.49982 
1 1 1   32   18   19 o  169.521   13.835 12338.97  1887.73 14677.54  6187.46 12098.96  1982.24  144.888   46.448  167.241   14.748 -22.35318 48.73360 
1 1 1   32   18   20 o  111.865   16.687  5662.52  1469.30   0.0000   0.0000  5662.52  1469.30  ?   ?   111.865   16.687 0.000000 16.68670 
1 1 1   32   18   21 o   33.531   15.805 -904.8248  1116.62   0.0000   0.0000 -904.8248  1116.62  ?   ?    33.531   15.805 0.000000 15.80513 
1 1 1   32   20    0 o  486.150   25.383 97845.00  9984.78   0.0000   0.0000 97845.00  9984.78  ?   ?   486.150   25.383 0.000000 25.38276 
1 1 1   32   20    1 o  354.918   19.841 51831.37  5694.97   0.0000   0.0000 51831.37  5694.97  ?   ?   354.918   19.841 0.000000 19.84118 
1 1 1   32   20    2 o  186.852   11.805 14283.47  1781.76 10843.53  3210.07 15815.14  2142.02  160.150   25.544  196.431   13.512 -36.28041 28.89775 
1 1 1   32   20    3 o  377.589   17.257 58356.74  5290.85 55782.75  9286.41 59593.83  6437.93  364.409   31.701  380.289   20.930 -15.87930 37.98684 
1 1 1   32   20    4 o  360.622   11.913 53010.97  3488.42 55519.70  7351.52 52281.93  3963.01  365.780   24.901  357.910   13.637 7.870514 28.39023 
1 1 1   32   20    5 o  504.715   26.776 105909.10 10933.69 102709.70 15722.12 108905.60 15215.48  490.103   39.853  506.332   37.271 -16.22980 54.56588 
1 1 1   32   20    6 o  211.629   15.041 18403.13  2567.82 17541.52  3875.41 19077.45  3428.43  204.747   23.752  214.547   19.907 -9.799728 30.99139 
1 1 1   32   20    7 o  274.639   12.705 30789.58  2833.09 34572.97  5556.25 29460.35  3293.38  288.089   23.971  267.910   15.202 20.17862 28.38475 
1 1 1   32   20    8 o  174.112   10.083 12395.19  1419.33 16047.39  3160.63 11472.65  1588.51  196.353   20.108  167.262   11.771 29.09055 23.30010 
1 1 1   32   20    9 o  118.491   9.3886  5757.38  895.890 12019.03  2355.78  4698.69  968.670  170.113   17.296  106.689   11.357 63.42484 20.69100 
1 1 1   32   20   10 o  383.627   15.441 60514.55  4809.68 77487.33  9165.91 54065.37  5650.04  428.144   26.496  360.822   19.356 67.32166 32.81314 
1 1 1   32   20   11 o  153.934   10.836  9745.11  1345.74 15458.37  3611.18  8823.72  1450.20  190.083   23.928  146.152   12.336 43.93135 26.92012 
1 1 1   32   20   12 f  179.241   11.353 13240.60  1643.70 13348.53  3883.83 13217.06  1814.18  173.458   28.571  178.779   12.578 -5.321274 31.21673 
1 1 1   32   20   13 o   64.890   14.072  1809.61  720.096  1396.13  2918.00  1836.43  743.078   75.040   30.524   65.324   14.397 9.715591 33.74924 
1 1 1   32   20   14 o  211.742   12.371 18605.91  2117.70 19438.85  4842.29 18408.93  2354.83  206.404   29.753  210.026   13.887 -3.622116 32.83389 
1 1 1   32   20   15 o  135.350   12.307  7659.62  1337.80  5735.86  4331.40  7862.49  1406.57  108.656   38.819  136.986   12.794 -28.33066 40.87338 
1 1 1   32   20   16 o   62.328   17.926  1708.24  955.758 -629.1615  4189.88  1836.54  981.638   72.625   32.918   64.471   18.041 8.154282 37.53812 
1 1 1   32   20   17 o  131.969   13.811  7420.77  1457.95 12541.44  5215.29  6986.67  1518.49  147.445   41.699  127.502   14.951 19.94279 44.29866 
1 1 1   32   20   18 o   55.034   19.254  1261.65  1060.87  5182.15  5130.45  1086.53  1084.31   97.108   40.096   52.825   19.347 44.28262 44.51922 
1 1 1   32   20   19 o   41.140   17.380  239.345  997.628   0.0000   0.0000  239.345  997.628  ?   ?    41.140   17.380 0.000000 17.38004 
1 1 1   32   20   20 o   72.555   20.793  2627.86  1288.03   0.0000   0.0000  2627.86  1288.03  ?   ?    72.555   20.793 0.000000 20.79316 
1 1 1   32   22    0 o  391.935   21.790 63500.70  6907.12   0.0000   0.0000 63500.70  6907.12  ?   ?   391.935   21.790 0.000000 21.79027 
1 1 1   32   22    1 o  288.353   17.677 34218.62  4118.82   0.0000   0.0000 34218.62  4118.82  ?   ?   288.353   17.677 0.000000 17.67711 
1 1 1   32   22    2 o  226.947   15.993 21185.36  2928.15   0.0000   0.0000 21185.36  2928.15  ?   ?   226.947   15.993 0.000000 15.99253 
1 1 1   32   22    3 o  153.540   12.424  9681.77  1535.65 10499.26  2867.88  9353.16  1818.28  157.862   23.054  150.481   15.084 7.381027 27.55036 
1 1 1   32   22    4 o  524.950   22.459 113813.60  9573.14 111939.80 16699.82 114730.80 11683.37  509.462   40.710  524.153   27.548 -14.69147 49.15535 
1 1 1   32   22    5 o  271.200   10.617 29980.97  2337.81 36661.06  5239.83 28320.74  2612.22  297.192   21.868  263.411   12.213 33.78027 25.04723 
1 1 1   32   22    6 o  295.769   15.997 35969.73  3827.45 28384.21  7388.88 38751.55  4474.56  255.657   36.642  306.503   18.059 -50.84607 40.85092 
1 1 1   32   22    7 o   53.134   11.453  1196.80  479.555  762.484  1559.98  1242.13  503.958   57.171   22.635   54.112   11.802 3.059639 25.52758 
1 1 1   32   22    8 o   92.222   10.170  3512.53  748.889  6205.28  2360.16  3211.07  789.698  119.637   25.097   87.937   11.323 31.70031 27.53301 
1 1 1   32   22    9 o  102.667   10.549  4353.58  866.876  4054.73  3101.08  4378.91  902.870   98.444   32.963  102.896   10.976 -4.452477 34.74194 
1 1 1   32   22   10 o  203.332   11.807 17022.10  1940.96 18251.13  4788.57 16780.48  2123.20  203.377   29.889  201.571   13.042 1.806229 32.61111 
1 1 1   32   22   11 o  200.511   11.590 16581.59  1878.90 18637.02  4519.83 16152.19  2065.85  205.469   27.806  197.505   12.954 7.963211 30.67537 
1 1 1   32   22   12 o  213.848   12.651 18955.12  2186.97 18101.22  5387.21 19123.61  2393.03  196.400   35.069  214.377   13.821 -17.97729 37.69398 
1 1 1   32   22   13 o   64.811   16.742  1831.56  887.281  2883.66  3581.31  1762.76  915.833   88.386   34.508   63.621   17.281 24.76471 38.59322 
1 1 1   32   22   14 o  121.574   13.112  6219.14  1273.81  6978.70  4342.17  6147.62  1332.43  117.175   39.001  120.622   13.856 -3.447861 41.38888 
1 1 1   32   22   15 o   83.237   16.670  3040.76  1087.34 -1116.0830  4265.64  3329.63  1124.49   71.331   32.668   87.261   16.475 -15.92938 36.58746 
1 1 1   32   22   16 o  121.632   61.819  9968.80 32569.68  8274.77 47224.52 11505.52 44978.50  121.893   62.741  122.514   62.962 -0.6210938 88.88557 
1 1 1   32   22   17 o  120.132   14.713  6255.37  1405.13  7921.82  4901.86  6106.18  1466.68  112.951   41.170  118.184   15.670 -5.233780 44.05146 
1 1 1   32   22   18 o   86.220   18.099  3428.32  1226.67   0.0000   0.0000  3428.32  1226.67  ?   ?    86.220   18.099 0.000000 18.09860 
1 1 1   32   22   19 o   71.089   19.124  2445.08  1127.98   0.0000   0.0000  2445.08  1127.98  ?   ?    71.089   19.124 0.000000 19.12369 
1 1 1   32   22   20 o   51.378   22.347  677.022  1740.56   0.0000   0.0000  677.022  1740.56  ?   ?    51.378   22.347 0.000000 22.34748 
1 1 1   32   24    0 o  292.029   18.473 35222.20  4357.60   0.0000   0.0000 35222.20  4357.60  ?   ?   292.029   18.473 0.000000 18.47254 
1 1 1   32   24    1 o  572.682   30.484 138377.20 14124.00   0.0000   0.0000 138377.20 14124.00  ?   ?   572.682   30.484 0.000000 30.48404 
1 1 1   32   24    2 o  341.524   20.658 48331.83  5701.74   0.0000   0.0000 48331.83  5701.74  ?   ?   341.524   20.658 0.000000 20.65836 
1 1 1   32   24    3 o  165.247   13.168 11235.35  1752.20  9341.77  3277.91 11992.88  2073.27  146.926   28.505  170.407   15.142 -23.48090 32.27680 
1 1 1   32   24    4 o  321.016   16.574 42453.92  4305.26 37723.54  7693.15 44610.88  5194.89  296.464   32.491  328.158   19.586 -31.69400 37.93788 
1 1 1   32   24    5 o  328.129   15.186 44199.13  4045.96 42039.13  8805.95 44777.13  4555.24  310.801   35.533  329.361   17.092 -18.55991 39.43015 
1 1 1   32   24    6 o  377.999   14.890 58712.87  4570.10 67275.16  9920.28 56406.16  5149.03  395.674   31.129  369.775   17.149 25.89908 35.54063 
1 1 1   32   24    7 f  344.085   12.705 48566.94  3549.72 70309.29  7524.12 42342.16  4025.92  408.803   22.758  320.481   15.471 88.32175 27.51853 
1 1 1   32   24    8 f  173.672   11.718 12428.56  1642.74 11174.44  4546.87 12616.84  1761.74  155.374   36.637  174.814   12.494 -19.43968 38.70878 
1 1 1   32   24    9 o  178.319   10.218 13072.81  1473.32 26271.90  4007.06 11009.48  1584.30  249.214   19.970  163.181   12.042 86.03276 23.31993 
1 1 1   32   24   10 o   97.143   11.317  3932.68  875.953  7694.28  3697.18  3708.97  901.624  127.530   34.755   94.133   12.075 33.39742 36.79280 
1 1 1   32   24   11 o  359.427   17.149 54286.89  5004.79 55202.43 10294.00 54003.49  5727.25  339.659   37.975  355.937   19.897 -16.27802 42.87173 
1 1 1   32   24   12 o  174.069   11.818 12589.64  1660.48 15436.48  5182.13 12263.91  1752.90  176.858   37.262  171.497   12.678 5.361633 39.36011 
1 1 1   32   24   13 o   70.253   16.399  2166.03  918.449 -2992.8979  4351.88  2406.52  939.613   66.542   31.316   74.188   16.064 -7.646179 35.19521 
1 1 1   32   24   14 o   89.476   14.686  3454.40  1029.90  2588.33  4744.27  3497.23  1055.06   89.226   37.809   89.944   14.973 -0.7172318 40.66587 
1 1 1   32   24   15 o   32.013   14.474 -372.2547  804.225 -502.7766  3993.31 -366.7371  821.048   70.044   31.898   32.447   14.652 37.59715 35.10232 
1 1 1   32   24   16 o   66.213   19.845  2005.26  1151.16   75.853  5601.44  2090.34  1176.27   79.102   36.659   67.473   20.024 11.62892 41.77087 
1 1 1   32   24   17 o   74.808   19.170  2628.74  1169.73   0.0000   0.0000  2628.74  1169.73  ?   ?    74.808   19.170 0.000000 19.17002 
1 1 1   32   24   18 o   56.360   20.614  1409.63  1230.39   0.0000   0.0000  1409.63  1230.39  ?   ?    56.360   20.614 0.000000 20.61360 
1 1 1   32   24   19 o   62.293   24.349  1958.91  1784.64   0.0000   0.0000  1958.91  1784.64  ?   ?    62.293   24.349 0.000000 24.34902 
1 1 1   32   26    0 o  389.658   22.904 63607.61  7214.81   0.0000   0.0000 63607.61  7214.81  ?   ?   389.658   22.904 0.000000 22.90432 
1 1 1   32   26    1 o  304.414   19.657 38576.95  4832.62   0.0000   0.0000 38576.95  4832.62  ?   ?   304.414   19.657 0.000000 19.65652 
1 1 1   32   26    2 o  111.203   18.857  5256.23  1641.79   0.0000   0.0000  5256.23  1641.79  ?   ?   111.203   18.857 0.000000 18.85656 
1 1 1   32   26    3 o  104.134   20.075  4654.18  1635.89   0.0000   0.0000  4654.18  1635.89  ?   ?   104.134   20.075 0.000000 20.07519 
1 1 1   32   26    4 o  200.379   15.375 16653.54  2482.49 16131.15  5091.83 16816.43  2843.31  189.627   34.334  200.704   17.626 -11.07719 38.59419 
1 1 1   32   26    5 o   46.275   18.082  555.378  983.970  340.919  2984.76  581.527  1042.23   70.079   29.853   47.508   18.597 22.57151 35.17155 
1 1 1   32   26    6 f  178.984   9.7966 13149.81  1418.33 21781.74  4565.76 12227.86  1492.15  224.316   25.522  172.389   10.713 51.92743 27.67939 
1 1 1   32   26    7 o   41.122   11.683  713.098  408.406  4410.09  3363.95  657.791  411.450  100.479   34.328   39.742   11.854 60.73678 36.31676 
1 1 1   32   26    8 o  167.039   10.300 11498.03  1390.15 21067.82  4799.27 10621.56  1452.42  217.690   27.786  160.295   11.230 57.39471 29.96926 
1 1 1   32   26    9 o   67.723   12.609  1955.04  667.853  4129.48  3983.22  1892.15  677.443   98.950   36.927   66.512   13.010 32.43813 39.15146 
1 1 1   32   26   10 o  196.988   11.997 16110.88  1909.71 22951.99  5721.18 15253.06  2025.91  221.047   32.877  191.234   13.127 29.81314 35.40064 
1 1 1   32   26   11 o  176.851   12.221 13038.28  1744.08 17753.78  5137.32 12423.99  1854.21  191.384   34.320  172.174   13.368 19.20995 36.83181 
1 1 1   32   26   12 o  123.998   12.740  6474.63  1264.44  5133.98  5267.27  6556.62  1302.52  104.473   41.520  124.676   13.060 -20.20295 43.52604 
1 1 1   32   26   13 o   92.839   14.706  3722.98  1071.63  3509.03  5528.59  3731.33  1092.34   95.323   40.618   92.837   15.003 2.485260 43.30023 
1 1 1   32   26   14 o   64.977   18.625  1901.49  1033.36 -724.5874  4801.11  2029.06  1058.16   74.066   34.189   66.992   18.726 7.073479 38.98096 
1 1 1   32   26   15 o   91.107   17.868  3758.45  1274.55   0.0000   0.0000  3758.45  1274.55  ?   ?    91.107   17.868 0.000000 17.86780 
1 1 1   32   26   16 o   43.317   18.252  307.363  1095.64   0.0000   0.0000  307.363  1095.64  ?   ?    43.317   18.252 0.000000 18.25199 
1 1 1   32   26   17 o   33.900   15.731 -648.1207  1036.28   0.0000   0.0000 -648.1207  1036.28  ?   ?    33.900   15.731 0.000000 15.73075 
1 1 1   32   26   18 f   42.475   19.555 -428.7007  1556.25   0.0000   0.0000 -428.7007  1556.25  ?   ?    42.475   19.555 0.000000 19.55541 
1 1 1   32   28    0 o   48.673   19.295  569.310  1134.90   0.0000   0.0000  569.310  1134.90  ?   ?    48.673   19.295 0.000000 19.29528 
1 1 1   32   28    1 o  125.226   19.616  6725.12  1929.09   0.0000   0.0000  6725.12  1929.09  ?   ?   125.226   19.616 0.000000 19.61644 
1 1 1   32   28    2 o   85.327   22.675  3204.88  1597.83   0.0000   0.0000  3204.88  1597.83  ?   ?    85.327   22.675 0.000000 22.67517 
1 1 1   32   28    3 o  109.894   22.029  5293.50  1897.17   0.0000   0.0000  5293.50  1897.17  ?   ?   109.894   22.029 0.000000 22.02858 
1 1 1   32   28    4 o  140.860   21.593  8604.13  2390.91 11109.87  4711.72  7735.17  2774.68  151.685   38.260  131.215   26.945 20.46983 46.79630 
1 1 1   32   28    5 o  158.244   20.708 10795.76  2596.89 11336.25  4961.12 10591.77  3047.79  151.631   39.794  154.679   25.129 -3.047806 47.06421 
1 1 1   32   28    6 o  225.954   10.123 20977.07  1857.29 36446.56  5871.65 19257.19  1957.82  288.072   25.361  215.928   11.205 72.14491 27.72636 
1 1 1   32   28    7 o  208.738   11.297 18025.71  1907.57 24369.33  5948.62 17298.62  2013.93  228.303   33.051  204.153   12.205 24.14955 35.23288 
1 1 1   32   28    8 o   55.574   12.069  1326.69  529.017  4088.28  3709.19  1269.35  534.481   96.540   35.711   54.296   12.396 42.24392 37.80156 
1 1 1   32   28    9 o  122.379   11.544  6254.74  1133.54  9320.39  5479.13  6117.66  1158.61  130.874   43.815  120.896   11.960 9.978027 45.41771 
1 1 1   32   28   10 o   85.820   12.470  3126.48  843.529 -2097.9050  5357.02  3259.31  854.185   76.246   35.509   87.695   12.337 -11.44940 37.59155 
1 1 1   32   28   11 o  160.254   12.125 10770.68  1566.04 10456.15  5715.53 10796.21  1628.35  132.864   44.749  160.233   12.618 -27.36948 46.49356 
1 1 1   32   28   12 o   69.256   15.578  2121.56  854.773  3637.84  4977.04  2075.48  867.665   92.728   38.977   68.397   15.922 24.33153 42.10387 
1 1 1   32   28   13 o   90.862   14.797  3608.62  1054.12  861.180  5535.69  3712.00  1073.77   81.775   37.363   92.158   14.855 -10.38313 40.20746 
1 1 1   32   28   14 o  108.572   15.198  5187.05  1303.12   0.0000   0.0000  5187.05  1303.12  ?   ?   108.572   15.198 0.000000 15.19835 
1 1 1   32   28   15 o  134.489   15.962  8091.82  1709.04   0.0000   0.0000  8091.82  1709.04  ?   ?   134.489   15.962 0.000000 15.96206 
1 1 1   32   28   16 o  115.621   16.827  6185.67  1533.37   0.0000   0.0000  6185.67  1533.37  ?   ?   115.621   16.827 0.000000 16.82678 
1 1 1   32   28   17 o   31.183   15.399 -2495.9121  1416.80   0.0000   0.0000 -2495.9121  1416.80  ?   ?    31.183   15.399 0.000000 15.39858 
1 1 1   32   30    0 o  211.541   19.641 19198.00  3335.10   0.0000   0.0000 19198.00  3335.10  ?   ?   211.541   19.641 0.000000 19.64090 
1 1 1   32   30    1 o  181.178   19.976 14146.00  2889.87   0.0000   0.0000 14146.00  2889.87  ?   ?   181.178   19.976 0.000000 19.97625 
1 1 1   32   30    2 o  205.523   20.025 18180.47  3299.21   0.0000   0.0000 18180.47  3299.21  ?   ?   205.523   20.025 0.000000 20.02451 
1 1 1   32   30    3 o   71.299   24.719  2094.81  1746.66   0.0000   0.0000  2094.81  1746.66  ?   ?    71.299   24.719 0.000000 24.71869 
1 1 1   32   30    4 o  106.241   25.028  5151.69  2123.46   0.0000   0.0000  5151.69  2123.46  ?   ?   106.241   25.028 0.000000 25.02764 
1 1 1   32   30    5 o   37.736   18.011 -1882.1740  1540.85 -2346.7830  4296.49 -1813.5980  1650.65   68.506   31.870   39.894   18.927 28.61121 37.06657 
1 1 1   32   30    6 o   84.473   9.6005  2974.10  646.797  1571.67  4208.02  3008.04  654.575   83.192   35.443   84.945   9.6623 -1.752945 36.73604 
1 1 1   32   30    7 o   35.201   11.516  496.254  379.194  8899.86  4972.96  447.107  380.302  128.003   41.696   34.008   11.542 93.99579 43.26419 
1 1 1   32   30    8 o   91.655   10.189  3513.68  745.414  7942.87  5533.96  3431.83  752.270  119.300   43.704   90.507   10.427 28.79287 44.93109 
1 1 1   32   30    9 o  211.132   11.955 18656.09  2041.10 34672.25  6969.13 17153.37  2134.71  264.435   33.189  201.819   13.098 62.61552 35.68010 
1 1 1   32   30   10 o   41.253   14.506  651.815  602.559  1796.56  6613.52  642.233  605.075   90.936   41.272   41.110   14.528 49.82623 43.75477 
1 1 1   32   30   11 o  117.171   12.971  5863.90  1213.39 14596.72  6431.47  5541.58  1235.58  146.175   47.407  113.564   13.674 32.61142 49.34017 
1 1 1   32   30   12 o  106.244   14.168  4910.24  1191.77   0.0000   0.0000  4910.24  1191.77  ?   ?   106.244   14.168 0.000000 14.16807 
1 1 1   32   30   13 o   29.486   13.677 -569.8096  782.417   0.0000   0.0000 -569.8096  782.417  ?   ?    29.486   13.677 0.000000 13.67746 
1 1 1   32   30   14 o   50.498   19.248  1001.92  1095.22   0.0000   0.0000  1001.92  1095.22  ?   ?    50.498   19.248 0.000000 19.24804 
1 1 1   32   30   15 o   37.299   16.690 -150.5531  1038.68   0.0000   0.0000 -150.5531  1038.68  ?   ?    37.299   16.690 0.000000 16.69026 
1 1 1   32   32    0 o  170.090   21.418 12809.78  2892.35   0.0000   0.0000 12809.78  2892.35  ?   ?   170.090   21.418 0.000000 21.41774 
1 1 1   32   32    1 o  234.275   22.982 24450.04  4315.39   0.0000   0.0000 24450.04  4315.39  ?   ?   234.275   22.982 0.000000 22.98181 
1 1 1   32   32    2 o  157.864   25.003 11384.36  3098.14   0.0000   0.0000 11384.36  3098.14  ?   ?   157.864   25.003 0.000000 25.00328 
1 1 1   32   32    3 o  117.269   27.879  6549.33  2615.71   0.0000   0.0000  6549.33  2615.71  ?   ?   117.269   27.879 0.000000 27.87945 
1 1 1   32   32    4 o  122.209   31.105  7367.98  3094.40   0.0000   0.0000  7367.98  3094.40  ?   ?   122.209   31.105 0.000000 31.10524 
1 1 1   32   32    5 o  138.299   29.117  9232.04  3166.33   0.0000   0.0000  9232.04  3166.33  ?   ?   138.299   29.117 0.000000 29.11728 
1 1 1   32   32    6 o  119.215   10.441  5938.13  1000.51  5095.64  6849.70  5956.50  1011.36  104.104   44.805  119.367   10.543 -15.26325 46.02879 
1 1 1   32   32    7 o  115.469   10.075  5570.32  935.167 11571.02  6854.88  5456.52  943.993  130.985   48.529  114.206   10.290 16.77940 49.60767 
1 1 1   32   32    8 o  108.136   10.946  4925.51  947.828  8996.38  7334.35  4856.37  955.843  115.352   47.810  107.301   11.133 8.051125 49.08883 
1 1 1   32   32    9 f   54.596   13.231  1312.39  580.415  3035.13  7183.52  1301.07  582.319   92.597   42.403   54.347   13.303 38.24948 44.44064 
1 1 1   32   32   10 o   42.199   13.948  740.792  555.756   0.0000   0.0000  740.792  555.756  ?   ?    42.199   13.948 0.000000 13.94835 
1 1 1   32   32   11 f  154.486   13.863 10373.09  1720.44   0.0000   0.0000 10373.09  1720.44  ?   ?   154.486   13.863 0.000000 13.86308 
1 1 1   32   32   12 o  179.658   14.604 14260.26  2111.87   0.0000   0.0000 14260.26  2111.87  ?   ?   179.658   14.604 0.000000 14.60352 
1 1 1   32   32   13 o   52.207   18.806  1214.51  1018.52   0.0000   0.0000  1214.51  1018.52  ?   ?    52.207   18.806 0.000000 18.80606 
1 1 1   32   32   14 o   46.786   19.550  671.038  1240.70   0.0000   0.0000  671.038  1240.70  ?   ?    46.786   19.550 0.000000 19.54996 
1 1 1   32   34    0 o   35.139   16.955 -2011.3280  1451.33   0.0000   0.0000 -2011.3280  1451.33  ?   ?    35.139   16.955 0.000000 16.95457 
1 1 1   32   34    1 o  100.192   30.240  5089.49  2666.15   0.0000   0.0000  5089.49  2666.15  ?   ?   100.192   30.240 0.000000 30.24036 
1 1 1   32   34    2 o   88.468   29.544  3857.51  2491.07   0.0000   0.0000  3857.51  2491.07  ?   ?    88.468   29.544 0.000000 29.54356 
1 1 1   32   34    3 o   52.159   24.123 -1205.0570  2407.23   0.0000   0.0000 -1205.0570  2407.23  ?   ?    52.159   24.123 0.000000 24.12282 
1 1 1   32   34    4 o  126.574   31.604  8326.50  3238.21   0.0000   0.0000  8326.50  3238.21  ?   ?   126.574   31.604 0.000000 31.60437 
1 1 1   32   34    5 o   65.653   28.101  950.860  2667.50   0.0000   0.0000  950.860  2667.50  ?   ?    65.653   28.101 0.000000 28.10051 
1 1 1   32   34    6 o   71.522   29.252  1902.19  2698.35  7472.69  8467.69  1272.59  2846.76  104.836   47.222   68.396   29.146 36.44027 55.49255 
1 1 1   32   34    7 o  141.916   11.455  8538.01  1308.73 31299.46  9395.05  8087.59  1321.62  193.229   56.385  137.857   11.924 55.37122 57.63221 
1 1 1   32   34    8 o   63.992   11.733  1783.33  587.159   0.0000   0.0000  1783.33  587.159  ?   ?    63.992   11.733 0.000000 11.73264 
1 1 1   32   34    9 o   54.151   13.214  1311.69  575.873   0.0000   0.0000  1311.69  575.873  ?   ?    54.151   13.214 0.000000 13.21388 
1 1 1   32   34   10 o  100.690   12.773  4445.00  1020.78   0.0000   0.0000  4445.00  1020.78  ?   ?   100.690   12.773 0.000000 12.77286 
1 1 1   32   34   11 o   80.731   15.893  3033.10  1004.74   0.0000   0.0000  3033.10  1004.74  ?   ?    80.731   15.893 0.000000 15.89335 
1 1 1   32   34   12 o   40.463   16.988  381.288  943.584   0.0000   0.0000  381.288  943.584  ?   ?    40.463   16.988 0.000000 16.98795 
1 1 1   32   36    0 o  175.873   30.114 16206.07  4145.72   0.0000   0.0000 16206.07  4145.72  ?   ?   175.873   30.114 0.000000 30.11403 
1 1 1   32   36    1 o   73.985   29.409  2463.16  2643.02   0.0000   0.0000  2463.16  2643.02  ?   ?    73.985   29.409 0.000000 29.40909 
1 1 1   32   36    2 o   94.186   33.021  5054.77  3121.13   0.0000   0.0000  5054.77  3121.13  ?   ?    94.186   33.021 0.000000 33.02073 
1 1 1   32   36    3 o   48.265   22.926 -1903.1660  2436.07   0.0000   0.0000 -1903.1660  2436.07  ?   ?    48.265   22.926 0.000000 22.92583 
1 1 1   32   36    4 o   88.617   34.151  4563.42  3472.50   0.0000   0.0000  4563.42  3472.50  ?   ?    88.617   34.151 0.000000 34.15135 
1 1 1   32   36    5 o   86.161   33.703  4336.42  3421.19   0.0000   0.0000  4336.42  3421.19  ?   ?    86.161   33.703 0.000000 33.70323 
1 1 1   32   36    6 o   58.813   26.463  299.387  2650.85   0.0000   0.0000  299.387  2650.85  ?   ?    58.813   26.463 0.000000 26.46325 
1 1 1   32   36    7 o   86.267   10.784  3210.03  738.902   0.0000   0.0000  3210.03  738.902  ?   ?    86.267   10.784 0.000000 10.78441 
1 1 1   32   36    8 o   59.053   11.371  1543.17  525.441   0.0000   0.0000  1543.17  525.441  ?   ?    59.053   11.371 0.000000 11.37092 
1 1 1   32   36    9 o  102.515   11.891  4627.98  971.404   0.0000   0.0000  4627.98  971.404  ?   ?   102.515   11.891 0.000000 11.89098 
1 1 1   32   36   10 o   46.092   15.274  978.651  666.242   0.0000   0.0000  978.651  666.242  ?   ?    46.092   15.274 0.000000 15.27379 
1 1 1   32   38    0 o  150.239   39.096 15999.01  4815.23   0.0000   0.0000 15999.01  4815.23  ?   ?   150.239   39.096 0.000000 39.09637 
1 1 1   32   38    1 o   45.044   21.790 -2351.4241  2436.21   0.0000   0.0000 -2351.4241  2436.21  ?   ?    45.044   21.790 0.000000 21.79030 
1 1 1   32   38    2 o   72.560   30.958  2844.64  3219.17   0.0000   0.0000  2844.64  3219.17  ?   ?    72.560   30.958 0.000000 30.95840 
1 1 1   32   38    3 o   70.542   31.400  2413.23  3624.60   0.0000   0.0000  2413.23  3624.60  ?   ?    70.542   31.400 0.000000 31.39958 
1 1 1   32   38    4 o   89.756   34.924  6109.78  3658.51   0.0000   0.0000  6109.78  3658.51  ?   ?    89.756   34.924 0.000000 34.92380 
1 1 1   32   38    5 o   78.579   34.333  4678.40  4148.73   0.0000   0.0000  4678.40  4148.73  ?   ?    78.579   34.333 0.000000 34.33316 
1 1 1   32   38    6 o   95.342   37.586  8484.41  4283.97   0.0000   0.0000  8484.41  4283.97  ?   ?    95.342   37.586 0.000000 37.58570 
1 1 1   32   38    7 o   92.322   11.268  3774.83  827.136   0.0000   0.0000  3774.83  827.136  ?   ?    92.322   11.268 0.000000 11.26782 
1 1 1   32   40    0 o   57.270   27.447  410.582  3658.27   0.0000   0.0000  410.582  3658.27  ?   ?    57.270   27.447 0.000000 27.44699 
1 1 1   32   40    1 o   50.017   24.657 -2377.8159  3579.79   0.0000   0.0000 -2377.8159  3579.79  ?   ?    50.017   24.657 0.000000 24.65717 
1 1 1   32   40    2 o   49.311   24.824 -5366.7231  4530.40   0.0000   0.0000 -5366.7231  4530.40  ?   ?    49.311   24.824 0.000000 24.82440 
1 1 1   33    1    0 o  1257.88   60.875 656265.88 62174.79 661972.62 87925.53 650558.38 87931.34  1246.77   87.407  1235.38   88.241 11.38953 124.2033 
1 1 1   33    1    1 o  725.092   28.040 214396.09 16508.56 218309.59 20232.14 206600.00 28556.00  730.909   34.091  706.679   50.091 24.22906 60.59132 
1 1 1   33    1    2 o  896.556   30.411 327996.00 22138.24 335104.50 31301.24 320881.19 31315.15  904.009   42.643  884.416   43.607 19.59344 60.99220 
1 1 1   33    1    3 o  1205.98   41.109 595939.88 40254.30 615097.12 56919.95 576771.62 56936.39  1219.86   57.467  1179.02   59.669 40.84717 82.84189 
1 1 1   33    1    4 o  1030.94   35.416 434627.50 29646.07 431664.91 41919.79 437592.00 41931.97  1023.63   50.436  1030.73   50.103 -7.102051 71.09152 
1 1 1   33    1    5 o  1025.79   35.496 430759.19 29564.87 430524.09 41806.30 430994.41 41815.78  1021.22   50.418  1021.78   50.402 -0.5631714 71.29032 
1 1 1   33    1    6 o  547.611   19.280 122132.80  8572.55 120636.40 12124.52 123628.60 12122.31  542.655   27.608  550.099   27.140 -7.444275 38.71407 
1 1 1   33    1    7 o  583.425   22.632 139007.00 10721.10 127096.60 18498.41 145031.20 13155.96  552.580   41.533  595.153   27.224 -42.57269 49.65999 
1 1 1   33    1    8 o  319.413   13.283 41529.63  3445.10 44800.06  4243.89 35209.78  5899.51  331.574   15.763  292.072   25.121 39.50204 29.65704 
1 1 1   33    1    9 o  532.926   18.160 115954.90  7858.02 124497.70 11121.23 107437.60 11104.63  550.857   24.864  510.595   26.880 40.26242 36.61612 
1 1 1   33    1   10 o  391.937   15.735 62656.82  5007.64 66980.92  8766.76 60562.68  6100.89  402.556   26.977  384.346   19.615 18.20932 33.35410 
1 1 1   33    1   11 o  212.034   12.981 18385.69  2224.14 18796.49  3168.37 17986.58  3122.93  213.623   18.447  208.909   18.605 4.713837 26.20037 
1 1 1   33    1   12 o  451.612   33.306 85445.52 12126.91 85445.52 12126.91   0.0000   0.0000  451.612   33.306  ?   ?  0.000000 33.30595 
1 1 1   33    1   13 o  390.076   19.864 62609.69  6270.67 62609.69  6270.67   0.0000   0.0000  390.076   19.864  ?   ?  0.000000 19.86395 
1 1 1   33    1   14 o  141.148   15.099  8239.31  1703.59  8239.31  1703.59   0.0000   0.0000  141.148   15.099  ?   ?  0.000000 15.09873 
1 1 1   33    1   15 o  475.357   19.689 93234.36  7599.52 92614.35 13062.77 93551.57  9343.44  464.773   34.868  473.565   24.382 -8.792694 42.54741 
1 1 1   33    1   16 o  151.266   9.4613  9375.85  1156.23  7814.60  1864.33 10351.69  1473.93  136.502   17.203  158.635   11.522 -22.13257 20.70474 
1 1 1   33    1   17 o   63.889   11.881  1729.14  593.672  1812.51  880.836  1659.75  803.626   64.846   16.645   62.110   15.875 2.736404 23.00148 
1 1 1   33    1   18 o  148.841   8.9766  9103.76  1079.79  8951.00  1546.78  9248.96  1508.05  146.581   13.135  149.176   12.567 -2.595291 18.17906 
1 1 1   33    1   19 o   98.051   9.9262  3993.05  779.375  4354.40  1085.38  3608.40  1119.83  101.515   13.503   91.645   15.608 9.870247 20.63848 
1 1 1   33    1   20 o   99.953   10.483  4172.20  838.102  4000.53  1139.84  4374.25  1236.56   96.463   15.044  100.748   15.622 -4.285332 21.68764 
1 1 1   33    1   21 o   83.370   11.482  2948.94  756.632  2821.44  1103.05  3062.24  1039.82   79.457   17.564   83.457   15.926 -4.000313 23.70929 
1 1 1   33    1   22 o   37.590   14.519  430.809  628.773  1061.14  865.568 -273.4494  914.920   50.509   17.407   35.041   15.673 15.46862 23.42341 
1 1 1   33    1   23 o   66.553   14.940  2013.33  787.577  1349.81  1019.44  2995.64  1240.39   54.948   18.894   79.077   19.452 -24.12920 27.11762 
1 1 1   33    1   24 o   37.267   15.368  334.860  752.402 -88.7266  1116.80  686.912  1018.14   38.861   17.354   45.010   18.129 -6.148323 25.09620 
1 1 1   33    3    0 o  486.880   24.121 96561.43  9535.61 93024.78 13482.08 100101.60 13488.69  475.720   35.152  493.792   33.847 -18.07190 48.79846 
1 1 1   33    3    1 o  1218.25   47.406 610125.19 46892.78 596141.12 57432.48 638090.88 81218.41  1200.15   58.937  1228.38   81.899 -28.23779 100.9008 
1 1 1   33    3    2 o  671.574   23.052 183639.30 12570.21 187672.20 17752.06 179583.70 17801.96  677.961   32.248  663.094   33.064 14.86755 46.18627 
1 1 1   33    3    3 o  1315.28   45.032 710314.31 48092.63 730044.31 67989.04 690556.12 68037.50  1326.26   63.135  1287.39   65.302 38.87085 90.83183 
1 1 1   33    3    4 o  1166.46   39.984 557689.12 37870.06 540954.88 53543.76 574439.00 53568.96  1141.50   57.959  1178.49   55.982 -36.98999 80.58080 
1 1 1   33    3    5 o  434.669   14.970 76825.78  5283.62 80330.44  7470.38 73317.74  7473.97  444.155   20.714  423.702   21.799 20.45267 30.07085 
1 1 1   33    3    6 o  218.317   10.218 19368.67  1811.37 25359.76  3073.44 16180.15  2242.16  249.198   15.263  198.970   13.967 50.22818 20.68900 
1 1 1   33    3    7 o  260.896   11.626 27679.64  2462.93 29264.93  4390.85 26951.87  2975.02  267.037   20.405  256.937   14.317 10.09991 24.92682 
1 1 1   33    3    8 o  991.690   47.592 413264.19 38321.90 447283.31 54320.39 379556.41 54071.18  1013.92   66.347  927.913   72.338 86.00787 98.15649 
1 1 1   33    3    9 o  831.463   38.794 288022.41 26190.43 332940.91 37171.96 243741.59 36907.16  883.675   52.036  748.767   61.241 134.9083 80.36320 
1 1 1   33    3   10 o  309.239   13.203 38953.76  3315.22 39101.75  4089.22 38669.95  5662.86  309.125   16.350  306.247   22.940 2.877930 28.17023 
1 1 1   33    3   11 o  445.028   17.902 80962.10  6468.73 82186.72  7955.74 78573.04 11112.03  447.619   21.889  434.141   31.743 13.47800 38.55841 
1 1 1   33    3   12 o   71.412   9.8404  2114.23  555.433  2836.95  1157.11  1897.84  633.146   81.701   17.934   67.245   12.038 14.45589 21.59991 
1 1 1   33    3   13 o  231.676   9.6383 21848.11  1813.09 22400.57  2594.74 21320.98  2534.51  233.876   13.724  228.147   13.746 5.728256 19.42405 
1 1 1   33    3   14 o  267.497   10.680 29160.84  2319.65 28288.56  3296.83 30016.02  3264.36  262.462   15.539  270.501   14.920 -8.039124 21.54252 
1 1 1   33    3   15 o   22.638   10.748 -664.4006  534.000 -479.4789  651.883 -1041.6040  931.030   27.690   12.714   30.559   14.413 -2.868402 19.21940 
1 1 1   33    3   16 o  138.695   12.069  7938.98  1345.65  9007.55  1778.36  6507.61  2058.24  147.165   15.096  123.235   21.343 23.92964 26.14199 
1 1 1   33    3   17 o  107.829   9.8259  4798.22  850.847  5188.35  1299.62  4505.56  1125.61  111.085   14.775  103.651   13.711 7.433746 20.15674 
1 1 1   33    3   18 o   21.372   10.110 -539.3510  464.235 -448.0981  665.228 -625.9811  648.159   28.179   12.904   26.182   12.246 1.996874 17.78960 
1 1 1   33    3   19 o  112.541   9.2354  5235.06  836.490  4242.27  1171.29  6268.48  1195.02   99.732   14.923  122.466   12.179 -22.73370 19.26189 
1 1 1   33    3   20 o   48.731   14.644  1011.88  626.214  1762.20  924.602  376.036  851.150   63.255   17.439   41.205   16.583 22.04994 24.06519 
1 1 1   33    3   21 o   44.048   15.063  773.701  647.752  402.802  918.456  1140.75  913.682   42.404   17.170   52.588   17.891 -10.18414 24.79679 
1 1 1   33    3   22 o   27.498   12.528 -339.0734  616.657 -989.7679  870.960  314.993  873.213   28.756   13.673   40.208   16.565 -11.45225 21.47954 
1 1 1   33    3   23 o   68.609   15.492  2155.19  842.634  2428.28  1112.83  1788.18  1290.05   71.285   18.914   61.697   21.252 9.588383 28.44937 
1 1 1   33    3   24 o   52.536   17.461  1304.85  870.433  536.080  1086.81  2680.19  1453.65   44.044   18.342   70.759   22.496 -26.71539 29.02527 
1 1 1   33    5    0 o  1110.16   77.963 519970.69 69831.85   0.0000   0.0000 519970.69 69831.85  ?   ?   1110.16   77.963 0.000000 77.96346 
1 1 1   33    5    1 o  918.348   43.923 346112.00 32752.04 373829.00 46376.59 318533.69 46260.39  948.028   60.564  872.917   65.751 75.11182 89.39294 
1 1 1   33    5    2 o  188.376   7.8871 14411.60  1206.36 15004.95  1674.48 13771.29  1739.49  191.882   10.791  183.732   11.721 8.149918 15.93231 
1 1 1   33    5    3 o  465.751   17.657 88229.58  6677.27 98685.13  9422.07 77680.23  9464.23  492.221   23.575  435.674   26.885 56.54727 35.75727 
1 1 1   33    5    4 o  594.731   23.344 144111.59 11272.73 158741.91 19634.19 136917.50 13768.07  620.998   39.139  578.356   29.415 42.64130 48.96059 
1 1 1   33    5    5 o  1058.57   51.299 464470.50 44092.87   0.0000   0.0000 464470.50 44092.87  ?   ?   1058.57   51.299 0.000000 51.29918 
1 1 1   33    5    6 o  350.477   14.592 49980.39  4152.40 52638.68  7325.62 48721.94  5040.34  357.989   25.366  345.367   18.036 12.62259 31.12492 
1 1 1   33    5    7 o  468.398   22.804 89701.12  8672.85 98827.21 12379.95 80905.53 12153.71  489.166   31.334  441.664   34.156 47.50217 46.35131 
1 1 1   33    5    8 o  529.799   21.343 114806.30  9181.47 123903.40 11265.63 96810.73 15844.76  549.576   25.246  480.127   41.038 69.44977 48.18143 
1 1 1   33    5    9 o  160.736   8.4211 10531.12  1095.23 10479.26  1360.37 10626.65  1846.47  160.158   10.519  160.865   14.285 -0.7062988 17.74047 
1 1 1   33    5   10 o  725.442   28.416 217092.00 16738.11 214705.80 20516.16 221841.59 28945.48  718.426   35.170  720.162   49.807 -1.736267 60.97261 
1 1 1   33    5   11 o   96.024   7.0606  3767.83  546.644  3983.30  786.807  3566.79  760.031   98.441   9.9817   93.065   10.226 5.375175 14.29035 
1 1 1   33    5   12 o  339.142   14.442 46943.95  3976.98 46934.59  7098.05 46948.24  4801.40  336.107   26.216  338.289   17.540 -2.182343 31.54287 
1 1 1   33    5   13 o  394.278   14.314 63492.06  4582.35 64446.55  6517.88 62559.20  6443.60  395.517   20.365  389.647   20.438 5.869324 28.85191 
1 1 1   33    5   14 f  449.071   16.447 82648.63  5997.26 84261.56  8518.47 81063.47  8444.81  450.718   23.357  441.954   23.618 8.763794 33.21689 
1 1 1   33    5   15 o   93.976   8.2133  3623.86  620.420  3842.23  907.539  3432.27  850.088   96.256   11.863   90.908   11.795 5.348328 16.72834 
1 1 1   33    5   16 f   92.654   8.7255  3533.69  648.708  3857.49  922.482  3216.90  912.425   96.276   12.065   87.551   13.249 8.725128 17.91977 
1 1 1   33    5   17 o   32.710   13.278  183.947  550.755 -127.9650  677.651  790.909  945.302   31.792   13.884   48.709   18.026 -16.91686 22.75295 
1 1 1   33    5   18 o  187.833   12.883 14657.70  1952.95 15000.52  2537.24 14159.33  3059.19  188.573   16.745  181.153   21.199 7.420044 27.01468 
1 1 1   33    5   19 o  181.157   10.332 13564.74  1513.48 13193.78  2384.82 13814.89  1958.40  176.077   16.888  181.751   13.364 -5.674683 21.53607 
1 1 1   33    5   20 o   88.349   10.885  3279.75  764.371  2953.60  1069.18  3620.70  1093.19   82.024   16.623   91.522   15.247 -9.498672 22.55644 
1 1 1   33    5   21 o   21.673   10.501 -919.3442  571.343 -480.7489  714.517 -1697.0200  951.437   28.883   13.280   26.930   13.160 1.952858 18.69619 
1 1 1   33    5   22 f   30.875   13.169   41.035  582.184 -307.8205  681.833  979.757  1118.47   29.441   13.318   51.443   19.489 -22.00197 23.60437 
1 1 1   33    5   23 o   42.862   15.053  756.415  648.719  886.122  764.041  421.378  1227.95   46.082   16.321   45.682   19.290 0.3998184 25.26785 
1 1 1   33    7    0 f  433.812   31.334 77240.00 10962.75   0.0000   0.0000 77240.00 10962.75  ?   ?   433.812   31.334 0.000000 31.33368 
1 1 1   33    7    1 o  1021.27   49.308 429569.09 40888.25 432931.81 57887.94 426221.09 57761.69  1015.43   70.650  1007.29   71.079 8.136902 100.2185 
1 1 1   33    7    2 o  527.171   37.307 114347.50 15866.03   0.0000   0.0000 114347.50 15866.03  ?   ?   527.171   37.307 0.000000 37.30721 
1 1 1   33    7    3 o  623.273   43.712 160481.00 21981.84   0.0000   0.0000 160481.00 21981.84  ?   ?   623.273   43.712 0.000000 43.71231 
1 1 1   33    7    4 o  1246.45   60.620 648865.31 61352.02 661143.12 86832.60 636625.62 86697.27  1237.57   86.964  1212.91   88.645 24.65747 124.1806 
1 1 1   33    7    5 o  711.545   27.713 207098.80 16011.41 214315.09 19604.90 192644.09 27746.72  722.609   33.414  678.574   50.726 44.03522 60.74180 
1 1 1   33    7    6 o  839.075   33.618 289883.50 22903.66 301529.00 28052.58 266599.50 39666.23  853.076   40.499  789.201   62.410 63.87561 74.39874 
1 1 1   33    7    7 o  307.913   11.410 38568.93  2852.79 41462.79  4055.83 35735.28  4013.42  318.972   15.660  295.569   16.792 23.40350 22.96121 
1 1 1   33    7    8 f  357.867   13.070 52148.00  3797.97 57317.75  5400.82 47090.35  5341.94  374.720   17.751  338.908   19.495 35.81161 26.36522 
1 1 1   33    7    9 o  179.929   11.807 13234.43  1715.46 13234.43  1715.46   0.0000   0.0000  179.929   11.807  ?   ?  0.000000 11.80747 
1 1 1   33    7   10 o  699.477   23.967 201030.91 13612.13 205429.70 19290.25 196668.41 19210.90  702.960   33.796  686.640   34.568 16.32025 48.34386 
1 1 1   33    7   11 f  574.311   20.057 135181.09  9353.12 135825.80 13271.52 134544.80 13183.54  572.923   28.529  570.236   28.473 2.686951 40.30680 
1 1 1   33    7   12 o   93.528   7.8464  3582.21  590.364  3916.36  858.997  3283.08  812.726   97.437   11.053   89.035   11.512 8.402390 15.95891 
1 1 1   33    7   13 o  185.900   8.6733 14063.01  1309.19 13959.78  1889.46 14158.33  1815.69  184.543   12.687  185.937   12.092 -1.394699 17.52634 
1 1 1   33    7   14 o  210.740   9.0905 18086.75  1555.51 17605.40  2239.33 18535.57  2162.34  207.117   13.387  212.670   12.578 -5.553574 18.36927 
1 1 1   33    7   15 o  395.040   14.656 64062.31  4700.97 63165.24  6696.44 64933.96  6600.95  389.365   21.262  395.079   20.649 -5.713623 29.63826 
1 1 1   33    7   16 o  234.469   9.8524 22479.32  1875.72 22823.54  2679.81 22148.70  2626.32  234.977   14.111  231.486   14.039 3.491394 19.90526 
1 1 1   33    7   17 f  100.988   8.9283  4204.13  724.569  4429.24  1010.39  3965.81  1039.62  102.996   12.327   97.091   13.557 5.904991 18.32329 
1 1 1   33    7   18 o  246.422   12.482 25173.91  2489.33 26528.83  3040.22 22417.63  4336.21  251.873   14.932  226.324   23.961 25.54941 28.23260 
1 1 1   33    7   19 o   37.219   13.689  468.194  543.655  390.214  622.731  718.078  1114.76   37.321   14.440   49.574   19.281 -12.25240 24.08878 
1 1 1   33    7   20 o   66.795   14.396  1946.56  757.759  2127.81  849.713  1242.45  1674.74   69.626   15.435   60.917   23.649 8.709892 28.24066 
1 1 1   33    7   21 o  252.738   12.759 26982.10  2609.92 27163.31  4187.82 26867.02  3337.28  245.400   21.226  248.881   16.610 -3.480652 26.95251 
1 1 1   33    7   22 o   30.129   12.619  103.284  518.660  474.190  618.420 -776.3073  952.341   37.981   14.467   31.810   14.867 6.171041 20.74416 
1 1 1   33    7   23 o   24.020   11.485 -775.7134  632.252 -248.3847  756.232 -2000.2430  1152.39   31.332   14.113   29.051   14.255 2.281494 20.05963 
1 1 1   33    9    0 o  329.001   24.951 44379.23  6615.76   0.0000   0.0000 44379.23  6615.76  ?   ?   329.001   24.951 0.000000 24.95113 
1 1 1   33    9    1 o  795.031   38.433 259249.70 24809.79 269792.50 35157.77 248792.20 35015.34  805.334   54.080  772.466   56.212 32.86774 78.00261 
1 1 1   33    9    2 o  545.738   26.741 121559.90 11849.46 133427.41 16817.90 109860.90 16698.07  569.304   36.576  515.586   40.204 53.71838 54.35240 
1 1 1   33    9    3 o  427.907   21.316 74626.89  7406.02 85859.26 10544.77 63692.38 10404.02  457.411   28.534  392.926   32.913 64.48459 43.56005 
1 1 1   33    9    4 f  807.253   30.105 267028.31 19732.76 328305.59 34351.84 236850.91 24106.88  887.675   47.837  756.824   39.365 130.8508 61.95140 
1 1 1   33    9    5 o  622.177   21.406 158065.80 10814.29 173229.00 15300.24 142928.50 15287.19  649.780   29.000  588.688   32.103 61.09155 43.26191 
1 1 1   33    9    6 o  371.321   12.154 56102.88  3664.43 58444.40  5196.57 53786.93  5168.12  378.594   16.905  363.136   17.528 15.45743 24.35129 
1 1 1   33    9    7 o  522.363   17.862 111386.20  7576.23 118562.90 10732.94 104258.80 10695.97  537.618   24.587  503.118   26.274 34.49927 35.98378 
1 1 1   33    9    8 o  792.090   31.092 259283.00 19996.76 279907.69 24523.89 218364.09 34542.75  820.085   36.829  707.537   60.715 112.5482 71.01209 
1 1 1   33    9    9 o  542.716   22.434 120800.10  9885.88 122826.30 12118.60 116769.70 17092.12  545.219   27.462  526.308   40.302 18.91107 48.76950 
1 1 1   33    9   10 o  668.586   23.175 183676.91 12581.16 186612.41 17832.27 180767.50 17752.90  669.903   32.784  658.299   33.322 11.60474 46.74490 
1 1 1   33    9   11 o  357.544   13.765 52150.08  3996.16 49880.79  5691.22 54356.98  5612.45  348.145   20.220  363.746   19.069 -15.60065 27.79354 
1 1 1   33    9   12 o  104.174   7.5316  4436.00  632.773  5286.88  893.880  3581.32  895.875  113.540   9.7917   92.942   12.163 20.59812 15.61467 
1 1 1   33    9   13 o  372.261   13.537 56606.99  4091.88 57052.64  5841.65 56177.70  5733.45  372.038   19.405  369.228   19.190 2.809662 27.29159 
1 1 1   33    9   14 o  258.473   10.392 27248.02  2180.99 27414.20  3122.37 27089.68  3047.77  258.206   14.957  256.727   14.682 1.478821 20.95863 
1 1 1   33    9   15 o  206.010   9.2545 17318.82  1548.03 17262.86  2233.02 17370.59  2147.95  204.654   13.514  205.421   12.944 -0.7678070 18.71300 
1 1 1   33    9   16 o  231.281   9.7983 21888.83  1840.04 23674.52  2648.01 20221.56  2558.70  239.263   13.687  220.865   14.345 18.39818 19.82750 
1 1 1   33    9   17 o  156.961   8.8331 10114.78  1121.18 11160.06  1640.06  9197.72  1536.19  164.038   12.405  148.714   12.848 15.32419 17.85945 
1 1 1   33    9   18 o  118.406   8.7451  5778.30  834.819  5440.17  1205.71  6089.68  1157.02  113.748   13.306  120.810   11.952 -7.061661 17.88554 
1 1 1   33    9   19 o  173.923   9.5136 12491.80  1338.42 12741.84  1883.81 12236.93  1901.94  174.223   13.420  170.533   13.856 3.689957 19.28910 
1 1 1   33    9   20 o   69.956   13.332  2118.18  729.628  1641.46  795.360  4649.89  1832.92   60.964   15.902  100.214   23.011 -39.25042 27.97105 
1 1 1   33    9   21 o   78.103   13.145  2645.58  803.990  2600.70  871.290  2902.90  2086.24   76.934   14.479   78.126   27.019 -1.191986 30.65398 
1 1 1   33    9   22 o   37.484   14.073  486.797  580.243   92.394  667.282  1709.71  1175.00   33.324   14.153   60.956   20.288 -27.63163 24.73697 
1 1 1   33    9   23 o   26.698   11.851 -117.9711  512.765   9.2413  566.988 -689.2639  1201.54   29.651   12.826   36.322   16.883 -6.671013 21.20201 
1 1 1   33   11    0 o  154.093   16.080  9766.93  1982.26   0.0000   0.0000  9766.93  1982.26  ?   ?   154.093   16.080 0.000000 16.07997 
1 1 1   33   11    1 o  348.361   18.323 49561.93  5164.70 55985.09  7384.30 43410.82  7226.23  369.452   24.759  324.658   27.677 44.79465 37.13502 
1 1 1   33   11    2 o  540.941   22.517 119429.50  9889.96 119725.70 17330.76 119286.40 12043.49  537.143   40.024  539.213   27.600 -2.069641 48.61757 
1 1 1   33   11    3 o  689.975   26.946 194952.30 15096.00 208358.80 26349.54 188401.80 18418.38  706.040   46.218  676.692   33.521 29.34802 57.09438 
1 1 1   33   11    4 o  423.942   17.589 73278.95  6054.78 75152.67 10681.67 72391.91  7349.56  426.318   31.072  420.369   21.605 5.949188 37.84512 
1 1 1   33   11    5 o  554.068   22.582 125647.20 10159.12 118997.10 17807.97 128855.60 12369.40  532.646   41.503  560.080   27.199 -27.43390 49.62167 
1 1 1   33   11    6 o  310.827   16.541 39521.45  4159.65 40429.07  6122.58 38743.37  5668.83  313.043   24.277  306.675   22.931 6.367310 33.39531 
1 1 1   33   11    7 o  488.515   18.072 97477.70  7168.43 103168.20 10149.83 91814.33 10125.60  501.199   24.941  471.742   26.543 29.45627 36.42200 
1 1 1   33   11    8 o  260.668   10.279 27644.52  2175.64 28262.91  3081.49 27029.87  3072.17  262.896   14.492  257.042   14.782 5.854340 20.70069 
1 1 1   33   11    9 f  381.030   17.051 59322.29  5275.28 61250.41  6457.62 55454.35  9146.30  386.055   20.676  364.418   31.212 21.63687 37.43885 
1 1 1   33   11   10 o  281.327   10.907 32225.84  2491.53 32162.06  3538.35 32288.56  3508.93  280.190   15.615  280.769   15.451 -0.5786133 21.96738 
1 1 1   33   11   11 o  341.964   12.960 47696.74  3598.55 47931.20  5120.02 47467.86  5058.76  341.487   18.535  339.858   18.400 1.628448 26.11737 
1 1 1   33   11   12 o  333.370   10.806 45285.46  2925.09 43629.30  4173.91 46883.87  4100.47  326.545   15.742  338.640   14.913 -12.09528 21.68417 
1 1 1   33   11   13 o  308.725   12.086 38909.86  3029.68 39134.60  4327.25 38693.76  4243.22  308.239   17.360  306.555   17.115 1.684631 24.37860 
1 1 1   33   11   14 o  281.416   11.497 32367.34  2627.06 32074.96  3758.08 32646.76  3673.81  278.641   16.687  281.273   16.154 -2.632355 23.22530 
1 1 1   33   11   15 o  103.194   8.0460  4369.17  668.846  4548.23  915.435  4164.13  979.602  104.849   10.913  100.007   12.324 4.841064 16.46152 
1 1 1   33   11   16 f   29.683   10.649  305.879  326.240  873.367  382.462 -1209.9800  625.086   45.251   10.596   21.625   10.588 23.62650 14.97932 
1 1 1   33   11   17 o   50.151   10.337  1070.68  406.945  1689.84  491.624 -276.8905  725.280   63.438   9.8649   31.344   13.992 32.09357 17.11977 
1 1 1   33   11   18 o  198.385   10.021 16242.91  1609.02 17813.88  2328.54 14807.38  2225.91  206.220   13.989  187.616   14.730 18.60449 20.31428 
1 1 1   33   11   19 o  257.869   11.500 27612.47  2407.89 26796.80  3477.18 28363.98  3337.64  250.086   17.229  258.250   15.996 -8.164017 23.50951 
1 1 1   33   11   20 o   24.239   10.408 -13.4818  368.008  265.534  392.111 -2076.0049  1066.09   30.054   11.502   27.719   13.624 2.335760 17.83009 
1 1 1   33   11   21 o   62.252   12.580  1695.51  613.977  1904.86  714.978  1107.55  1198.19   65.655   13.848   53.861   20.223 11.79310 24.50955 
1 1 1   33   11   22 o  136.606   12.986  8116.13  1423.11  8986.38  1631.06  5341.12  2912.59  142.850   14.252   94.595   31.944 48.25541 34.97905 
1 1 1   33   11   23 o   51.056   14.683  1211.78  641.284  1257.77  664.758  594.841  2434.67   51.916   14.955   56.186   25.314 -4.270237 29.40133 
1 1 1   33   13    0 o  574.427   29.331 135848.41 13634.97   0.0000   0.0000 135848.41 13634.97  ?   ?   574.427   29.331 0.000000 29.33129 
1 1 1   33   13    1 o  836.987   41.197 291147.09 27997.64   0.0000   0.0000 291147.09 27997.64  ?   ?   836.987   41.197 0.000000 41.19691 
1 1 1   33   13    2 o  443.087   15.098 79976.38  5431.92 83937.16 11063.47 78718.33  6235.19  450.614   30.416  439.335   17.479 11.27863 35.08035 
1 1 1   33   13    3 o  314.814   14.200 40367.80  3629.66 38855.76  6538.08 41041.43  4363.91  306.513   26.532  316.752   17.030 -10.23907 31.52713 
1 1 1   33   13    4 o  158.617   9.0271 10261.91  1157.81 20206.65  1895.28  4340.94  1462.42  222.883   10.473  101.560   18.412 121.3230 21.18218 
1 1 1   33   13    5 o   96.927   7.8237  3843.23  610.487  5772.73  1351.44  3348.55  684.284  118.157   14.383   90.250   9.4796 27.90744 17.22599 
1 1 1   33   13    6 o  566.257   21.552 131347.70  9909.03 150367.80 17431.13 122266.70 12044.45  600.138   35.937  544.888   27.223 55.24982 45.08395 
1 1 1   33   13    7 o  286.954   12.177 33532.29  2837.24 38725.79  5197.81 31328.11  3386.20  306.753   20.995  276.725   15.128 30.02798 25.87725 
1 1 1   33   13    8 o  255.828   11.512 26649.89  2391.35 30958.65  4456.60 24907.65  2833.88  274.175   20.160  246.729   14.206 27.44553 24.66239 
1 1 1   33   13    9 o  537.737   21.769 118769.80  9504.97 121277.70 16784.50 117585.90 11532.31  535.395   38.875  533.521   26.621 1.873413 47.11615 
1 1 1   33   13   10 o  381.735   14.327 59494.39  4440.72 59414.96  6299.99 59572.82  6260.44  379.832   20.503  380.380   20.343 -0.5482788 28.88320 
1 1 1   33   13   11 o  241.704   9.6320 23785.69  1890.32 23689.25  2676.48 23881.67  2670.17  240.469   13.765  241.461   13.675 -0.9915619 19.40336 
1 1 1   33   13   12 o  416.534   17.411 71206.53  5888.47 75791.55 10631.75 69177.68  7072.29  423.731   31.119  408.910   21.375 14.82037 37.75283 
1 1 1   33   13   13 o  121.424   7.5704  6024.56  742.669  5178.73  997.336  7077.37  1112.69  112.087   11.105  131.285   10.527 -19.19800 15.30100 
1 1 1   33   13   14 o  348.415   13.049 49814.10  3691.54 50599.36  5269.51 49057.32  5173.07  348.744   18.677  343.398   18.623 5.346436 26.37473 
1 1 1   33   13   15 o  199.783   9.5244 16328.42  1545.01 18117.34  2229.58 14675.84  2142.94  209.318   13.186  188.040   14.139 21.27736 19.33311 
1 1 1   33   13   16 o  269.614   10.653 29864.14  2332.15 31412.93  3354.13 28414.60  3244.89  274.499   15.107  260.904   15.385 13.59509 21.56215 
1 1 1   33   13   17 o  152.283   9.0306  9545.56  1111.64 10315.04  1580.86  8792.91  1563.47  157.372   12.474  144.922   13.440 12.44994 18.33632 
1 1 1   33   13   18 o  163.344   9.2707 11010.77  1224.51 11376.29  1678.66 10595.09  1790.14  164.914   12.632  158.566   14.049 6.348114 18.89339 
1 1 1   33   13   19 o   22.254   9.7445 -70.8288  335.814 -151.3804  355.589  593.568  1021.23   21.775   9.7530   46.423   18.335 -24.64769 20.76764 
1 1 1   33   13   20 f  146.626   9.3809  8948.11  1110.99  9186.35  1467.89  8628.60  1699.89  147.247   12.393  141.298   15.048 5.949295 19.49416 
1 1 1   33   13   21 o   33.436   12.178  402.175  428.756  607.284  465.855 -733.8998  1096.38   38.411   12.774   34.933   16.200 3.477783 20.63017 
1 1 1   33   13   22 o  150.049   10.573  9619.52  1279.87  9155.90  1659.40 10300.29  2010.82  143.348   14.454  149.843   16.817 -6.495407 22.17538 
1 1 1   33   15    0 o  279.705   22.349 32251.58  5033.41   0.0000   0.0000 32251.58  5033.41  ?   ?   279.705   22.349 0.000000 22.34941 
1 1 1   33   15    1 o  1008.61   50.774 433622.41 41448.87   0.0000   0.0000 433622.41 41448.87  ?   ?   1008.61   50.774 0.000000 50.77430 
1 1 1   33   15    2 o  584.765   24.045 140334.00 11417.00 130384.60 19848.49 145253.59 13957.08  554.935   44.422  593.491   28.963 -38.55554 53.03025 
1 1 1   33   15    3 o  319.947   13.642 41707.09  3543.88 38941.30  7307.51 42557.60  4052.31  305.738   29.816  323.031   15.450 -17.29230 33.58070 
1 1 1   33   15    4 o  280.219   13.422 31992.32  3053.88 28481.94  5612.31 33468.89  3639.92  261.712   26.788  285.996   15.735 -24.28400 31.06769 
1 1 1   33   15    5 o  495.361   19.713 100420.40  7928.73 103037.30 14044.29 99196.11  9605.94  496.375   35.072  491.371   24.076 5.003296 42.54050 
1 1 1   33   15    6 o  413.090   17.935 69765.40  6015.75 64066.56 10743.32 72368.41  7260.79  390.909   34.191  419.582   21.383 -28.67285 40.32719 
1 1 1   33   15    7 o  128.095   8.9095  6706.02  920.900  7340.24  1889.20  6508.35  1054.69  132.778   17.986  126.028   10.400 6.749809 20.77627 
1 1 1   33   15    8 o  305.635   17.516 38342.84  4328.66 37032.21  6347.58 39482.17  5918.25  298.253   26.487  308.754   23.790 -10.50104 35.60238 
1 1 1   33   15    9 o  284.247   13.066 32958.84  3015.55 34101.85  5633.11 32499.71  3570.20  286.444   24.454  281.538   15.680 4.906494 29.04926 
1 1 1   33   15   10 o  182.098   10.858 13559.10  1598.15  8956.58  3209.10 15077.01  1842.93  144.379   28.386  191.925   11.884 -47.54617 30.77350 
1 1 1   33   15   11 o  551.662   23.732 126028.70 10630.17 106586.30 18868.69 135068.80 12866.33  490.943   47.946  569.002   27.849 -78.05939 55.44684 
1 1 1   33   15   12 o  344.525   15.539 48699.21  4346.81 44685.49  8039.05 50357.55  5167.35  323.742   30.960  349.182   18.289 -25.43985 35.95806 
1 1 1   33   15   13 o  403.184   16.463 67050.42  5389.42 70171.50  7671.35 64008.73  7573.17  408.703   23.212  389.811   24.044 18.89166 33.42064 
1 1 1   33   15   14 o  247.067   11.119 25024.21  2230.67 26106.75  3185.52 23982.65  3124.64  250.681   15.730  240.089   16.122 10.59236 22.52434 
1 1 1   33   15   15 o   96.920   7.9409  3862.60  619.425  4045.71  798.287  3585.54  981.963   98.830   10.089   92.225   13.514 6.605148 16.86500 
1 1 1   33   15   16 o  177.981   8.2318 12965.14  1189.62 12273.97  1686.08 13650.26  1678.69  171.949   12.155  181.599   11.443 -9.649719 16.69385 
1 1 1   33   15   17 o  404.198   14.285 68286.51  4688.21 70865.59  6755.35 65890.19  6511.61  405.107   20.605  390.596   20.604 14.51016 29.13956 
1 1 1   33   15   18 o  146.540   8.7956  8867.05  1041.71  9513.25  1398.34  8061.21  1561.54  150.926   11.497  137.859   14.151 13.06621 18.23271 
1 1 1   33   15   19 o  154.107   9.1391  9849.38  1138.46  8562.54  1509.71 11545.87  1733.44  141.994   13.247  165.156   13.032 -23.16264 18.58311 
1 1 1   33   15   20 o  181.835   9.6787 13809.35  1423.86 13109.79  1948.60 14610.78  2085.65  174.628   13.857  184.263   14.046 -9.634979 19.73042 
1 1 1   33   15   21 o   60.690   11.106  1605.88  527.102  1479.60  582.826  2173.17  1235.29   57.639   12.788   67.144   20.649 -9.504646 24.28789 
1 1 1   33   15   22 o   39.744   12.441  694.805  446.173  633.083  476.081  1140.26  1278.97   38.531   12.915   52.476   20.585 -13.94552 24.30076 
1 1 1   33   17    0 o  527.498   26.937 114995.90 11498.73   0.0000   0.0000 114995.90 11498.73  ?   ?   527.498   26.937 0.000000 26.93652 
1 1 1   33   17    1 o  216.562   14.154 19201.90  2475.13   0.0000   0.0000 19201.90  2475.13  ?   ?   216.562   14.154 0.000000 14.15379 
1 1 1   33   17    2 f  350.458   15.745 50128.68  4480.42 45873.36  7860.50 52176.50  5452.95  331.828   29.481  356.641   18.898 -24.81332 35.01822 
1 1 1   33   17    3 o  275.270   11.001 30844.42  2458.77 31549.38  5224.59 30643.87  2786.65  276.130   23.527  274.267   12.513 1.863495 26.64750 
1 1 1   33   17    4 o  232.648   9.7994 22021.79  1851.14 27698.11  3638.11 20038.83  2150.31  259.745   17.350  221.484   12.002 38.26060 21.09641 
1 1 1   33   17    5 o  235.254   11.636 22541.33  2222.73 20856.15  4259.41 23171.97  2605.65  223.942   23.789  238.007   13.539 -14.06465 27.37191 
1 1 1   33   17    6 o   54.121   10.406  1232.59  440.700  731.717  1307.53  1296.78  468.089   53.639   20.876   55.494   10.777 -1.855507 23.49364 
1 1 1   33   17    7 o  200.601   14.352 16510.83  2322.26 14635.88  3510.91 17969.18  3096.37  187.043   23.646  208.626   18.470 -21.58302 30.00403 
1 1 1   33   17    8 o  226.829   12.166 21038.77  2232.46 18218.81  4347.78 22048.47  2601.61  208.186   26.308  231.979   13.876 -23.79259 29.74263 
1 1 1   33   17    9 o  250.759   12.190 25650.53  2482.02 23869.80  4763.69 26314.08  2907.92  238.880   24.927  253.378   14.191 -14.49861 28.68369 
1 1 1   33   17   10 o  332.614   14.630 45266.67  3951.17 50431.84  7412.91 43216.88  4669.82  347.082   26.504  323.914   17.824 23.16769 31.94006 
1 1 1   33   17   11 o  136.936   10.033  7687.31  1107.82  9011.41  2565.21  7383.73  1228.27  145.801   22.384  133.998   11.397 11.80286 25.11818 
1 1 1   33   17   12 o  108.116   10.541  4820.73  913.554  6507.34  2397.81  4534.33  988.078  122.355   24.980  104.604   11.842 17.75109 27.64516 
1 1 1   33   17   13 o  179.708   11.337 13291.84  1645.75 11691.64  3750.25 13673.50  1831.52  162.263   29.553  182.023   12.467 -19.75964 32.07527 
1 1 1   33   17   14 o  142.112   11.123  8345.79  1273.23  9550.13  3602.54  8173.88  1361.07  144.241   31.631  140.416   12.055 3.824585 33.84986 
1 1 1   33   17   15 o  198.759   12.140 16369.74  1949.83 19009.49  4749.09 15834.56  2138.37  204.939   29.380  194.972   13.592 9.966354 32.37198 
1 1 1   33   17   16 o  176.008   12.384 12902.97  1758.54 12341.83  4674.06 12995.49  1898.00  157.495   37.152  176.279   13.360 -18.78395 39.48088 
1 1 1   33   17   17 f  178.244   12.573 13297.12  1808.06 15640.72  5122.83 12963.64  1932.43  175.328   37.140  175.510   13.668 -0.1821594 39.57529 
1 1 1   33   17   18 o  143.160   9.4095  8504.21  1087.69  9769.57  1429.78  6765.96  1675.79  152.644   11.623  124.553   17.015 28.09084 20.60624 
1 1 1   33   17   19 o   61.686   9.3883  1612.65  455.398  1627.88  495.769  1530.34  1152.14   61.749   10.247   59.372   20.091 2.377075 22.55307 
1 1 1   33   17   20 o   30.669   11.042  342.470  351.106  419.185  368.729 -403.0554  1149.47   32.810   11.358   38.142   17.269 -5.331448 20.66973 
1 1 1   33   17   21 o   94.739   9.7270  3829.42  737.627  4063.12  838.116  3026.39  1553.59   97.073   10.817   76.297   23.097 20.77570 25.50427 
1 1 1   33   19    0 o  404.917   21.766 67536.23  7129.79   0.0000   0.0000 67536.23  7129.79  ?   ?   404.917   21.766 0.000000 21.76551 
1 1 1   33   19    1 o  471.268   24.719 91776.05  9425.91   0.0000   0.0000 91776.05  9425.91  ?   ?   471.268   24.719 0.000000 24.71918 
1 1 1   33   19    2 o  223.016   12.474 20333.77  2249.75 20928.79  4048.93 20068.01  2705.91  224.540   22.511  221.181   15.158 3.359451 27.13903 
1 1 1   33   19    3 o  309.160   14.870 39024.88  3732.90 39188.79  6561.61 38946.46  4539.00  306.817   26.602  307.885   18.238 -1.067963 32.25335 
1 1 1   33   19    4 o  349.845   11.464 49863.33  3256.43 59710.46  6872.16 47011.99  3697.97  380.347   22.351  339.477   13.416 40.87033 26.06778 
1 1 1   33   19    5 o  205.754   9.7356 17232.82  1626.49 23900.01  3384.31 15230.38  1854.73  240.999   17.412  192.943   11.897 48.05586 21.08833 
1 1 1   33   19    6 o  137.818   13.887  7832.45  1532.81  7244.98  2392.12  8241.69  1996.54  130.641   23.411  140.720   17.877 -10.07880 29.45601 
1 1 1   33   19    7 f  192.237   9.8043 15087.73  1525.26 21763.75  3250.31 13202.43  1727.25  229.760   17.555  179.538   11.916 50.22227 21.21764 
1 1 1   33   19    8 o  382.343   16.469 59905.62  5112.83 63953.12  9459.78 58235.34  6076.89  389.774   30.124  375.640   19.996 14.13412 36.15650 
1 1 1   33   19    9 o   83.148   10.614  2864.43  700.238  2700.36  1989.26  2887.64  748.120   81.471   26.360   83.371   11.346 -1.899948 28.69780 
1 1 1   33   19   10 o  209.730   11.416 18020.53  1936.80 19868.29  4093.90 17487.71  2198.38  217.196   23.593  206.283   13.194 10.91246 27.03203 
1 1 1   33   19   11 o  107.113   11.110  4742.38  952.239  3943.56  2982.06  4833.08  1004.85   97.120   32.320  108.051   11.637 -10.93128 34.35126 
1 1 1   33   19   12 o  217.235   11.697 19419.54  2055.60 26675.90  4474.72 17478.63  2314.25  250.635   22.218  205.468   13.954 45.16731 26.23698 
1 1 1   33   19   13 o   59.446   14.837  1521.81  713.884  3081.39  2367.32  1365.80  748.740   85.378   28.799   56.488   15.738 28.88979 32.81889 
1 1 1   33   19   14 o  171.261   11.562 12143.25  1598.37 23606.11  4247.44 10252.18  1725.18  233.402   22.699  156.667   13.700 76.73447 26.51302 
1 1 1   33   19   15 o  135.742   12.461  7698.74  1358.09  6864.63  4261.52  7793.03  1432.79  117.458   38.615  136.378   13.100 -18.91960 40.77657 
1 1 1   33   19   16 o  101.499   13.680  4378.44  1098.68  4057.50  4257.55  4401.33  1137.19   96.534   37.643  101.607   14.170 -5.072762 40.22156 
1 1 1   33   19   17 o   39.650   16.818  114.020  940.094  8050.74  4281.41 -288.0210  963.610  121.393   38.608   36.282   16.167 85.11047 41.85628 
1 1 1   33   19   18 o  135.385   13.338  7822.35  1447.21 15686.97  4775.96  7027.21  1518.60  171.059   35.546  127.468   14.957 43.59137 38.56474 
1 1 1   33   19   19 o   67.200   20.768  2116.32  1247.82   0.0000   0.0000  2116.32  1247.82  ?   ?    67.200   20.768 0.000000 20.76787 
1 1 1   33   19   20 o   50.688   20.194  899.584  1248.87   0.0000   0.0000  899.584  1248.87  ?   ?    50.688   20.194 0.000000 20.19444 
1 1 1   33   19   21 o   90.164   22.353  4298.99  1628.36   0.0000   0.0000  4298.99  1628.36  ?   ?    90.164   22.353 0.000000 22.35334 
1 1 1   33   21    0 o  312.396   18.340 40151.12  4631.65   0.0000   0.0000 40151.12  4631.65  ?   ?   312.396   18.340 0.000000 18.34005 
1 1 1   33   21    1 o  363.084   20.434 54351.31  5999.81   0.0000   0.0000 54351.31  5999.81  ?   ?   363.084   20.434 0.000000 20.43439 
1 1 1   33   21    2 o  432.009   23.456 77239.39  8196.90   0.0000   0.0000 77239.39  8196.90  ?   ?   432.009   23.456 0.000000 23.45576 
1 1 1   33   21    3 o  178.138   12.421 13006.32  1785.35 12567.47  3272.38 13192.30  2130.34  172.867   23.958  179.063   14.785 -6.195786 28.15248 
1 1 1   33   21    4 o   75.680   7.9657  2355.61  482.141  3589.28  1574.85  2228.02  506.459   91.551   21.544   73.489   8.6534 18.06216 23.21719 
1 1 1   33   21    5 o   83.212   15.733  2926.01  1024.08  2802.97  1913.97  2975.36  1212.19   82.423   25.762   83.542   18.370 -1.119614 31.64058 
1 1 1   33   21    6 o  389.705   16.885 62279.85  5342.87 64554.87  9961.89 61361.18  6330.35  390.726   31.673  385.453   20.298 5.272736 37.61861 
1 1 1   33   21    7 o  282.903   13.157 32711.55  3022.17 33238.86  5964.89 32529.44  3505.41  281.196   26.435  281.358   15.403 -0.1617126 30.59514 
1 1 1   33   21    8 o  176.086   10.827 12700.82  1540.46 14687.47  3505.79 12225.46  1714.89  186.509   23.684  172.517   12.323 13.99152 26.69808 
1 1 1   33   21    9 o  304.657   14.743 38124.07  3646.93 37801.34  7323.02 38230.50  4205.54  296.244   30.899  304.015   17.106 -7.770996 35.31801 
1 1 1   33   21   10 o  295.438   13.602 35882.47  3262.96 42853.75  6651.89 33673.52  3744.40  316.698   26.100  285.007   16.248 31.69135 30.74435 
1 1 1   33   21   11 o   79.242   13.295  2654.45  825.124  1773.24  3082.67  2722.46  856.372   79.681   31.733   80.197   13.640 -0.5167160 34.54033 
1 1 1   33   21   12 o  128.928   11.531  6891.25  1194.37  7758.93  3347.75  6764.70  1278.51  129.335   32.043  127.496   12.511 1.839912 34.39901 
1 1 1   33   21   13 o  113.715   11.979  5394.60  1089.43  8075.55  3282.92  5062.83  1154.88  131.379   31.233  109.803   13.219 21.57600 33.91526 
1 1 1   33   21   14 o  104.546   13.399  4615.35  1111.23  4429.19  3372.85  4638.01  1176.94   98.271   34.334  104.554   14.234 -6.282570 37.16707 
1 1 1   33   21   15 o   49.160   17.649  900.851  896.359  1272.86  3760.96  878.448  922.956   78.436   33.464   49.134   17.871 29.30193 37.93687 
1 1 1   33   21   16 o   40.470   16.411  343.535  840.482  1002.52  4239.47  316.575  857.502   78.777   34.555   40.442   16.510 38.33465 38.29679 
1 1 1   33   21   17 o   47.008   18.181  704.565  986.909 -1360.6801  5116.31  784.379  1005.80   73.670   34.441   48.268   18.434 25.40217 39.06382 
1 1 1   33   21   18 o   40.274   16.958  218.307  944.700   0.0000   0.0000  218.307  944.700  ?   ?    40.274   16.958 0.000000 16.95788 
1 1 1   33   21   19 o  111.921   17.575  5763.95  1544.50   0.0000   0.0000  5763.95  1544.50  ?   ?   111.921   17.575 0.000000 17.57462 
1 1 1   33   21   20 o   38.133   17.554 -504.7385  1253.25   0.0000   0.0000 -504.7385  1253.25  ?   ?    38.133   17.554 0.000000 17.55365 
1 1 1   33   23    0 o  437.422   23.998 79521.71  8490.76   0.0000   0.0000 79521.71  8490.76  ?   ?   437.422   23.998 0.000000 23.99772 
1 1 1   33   23    1 f  340.194   19.972 47819.36  5492.57   0.0000   0.0000 47819.36  5492.57  ?   ?   340.194   19.972 0.000000 19.97191 
1 1 1   33   23    2 o  314.234   19.422 40788.98  4931.21   0.0000   0.0000 40788.98  4931.21  ?   ?   314.234   19.422 0.000000 19.42211 
1 1 1   33   23    3 o  343.376   16.823 48376.75  4690.29 44409.61  8369.25 50193.20  5663.18  323.038   32.342  348.429   20.103 -25.39111 38.08069 
1 1 1   33   23    4 o  164.958   13.208 11192.85  1754.30  9113.67  3233.84 12059.89  2088.29  145.220   28.443  170.920   15.206 -25.69949 32.25266 
1 1 1   33   23    5 o  187.039   8.8320 14249.58  1341.32 17090.52  3519.19 13766.73  1450.83  202.055   21.796  183.518   9.7716 18.53653 23.88576 
1 1 1   33   23    6 o  413.921   20.164 70887.51  6776.81 58796.57 12653.42 75750.52  8024.73  362.599   43.870  425.968   23.290 -63.36945 49.66882 
1 1 1   33   23    7 o  535.025   19.767 118688.50  8587.15 150762.30 15923.05 105534.80 10197.07  590.995   33.318  501.350   25.049 89.64560 41.68401 
1 1 1   33   23    8 o  166.580   10.927 11401.57  1469.74 11013.21  3824.35 11468.87  1592.00  157.473   31.013  166.903   11.824 -9.430847 33.19094 
1 1 1   33   23    9 o  188.730   11.022 14648.43  1681.72 22773.75  4503.82 13332.00  1812.84  230.333   24.456  179.684   12.503 50.64883 27.46666 
1 1 1   33   23   10 o  249.512   12.589 25714.43  2542.24 35696.14  5938.11 23474.30  2813.08  286.740   25.780  237.644   14.650 49.09517 29.65219 
1 1 1   33   23   11 o  304.412   14.618 38495.50  3613.11 43165.40  7641.49 37150.85  4100.43  309.414   30.826  297.394   17.052 12.01999 35.22823 
1 1 1   33   23   12 f  238.083   13.328 23592.00  2566.23 24417.29  6303.30 23428.03  2809.62  226.652   35.409  236.628   14.696 -9.976944 38.33757 
1 1 1   33   23   13 o   60.375   16.945  1586.16  864.593 10489.68  3979.48  1145.07  885.751  146.657   34.069   52.992   17.614 93.66521 38.35295 
1 1 1   33   23   14 o   70.348   17.185  2187.10  973.200  6785.94  4448.45  1955.93  997.361  114.164   39.456   66.492   18.023 47.67245 43.37682 
1 1 1   33   23   15 o  134.957   13.451  7723.59  1454.32  8926.97  5414.07  7630.00  1509.81  123.429   43.475  133.850   14.104 -10.42131 45.70545 
1 1 1   33   23   16 o  122.877   14.643  6514.12  1432.21  9849.82  4883.82  6200.26  1498.08  127.662   41.302  119.248   15.866 8.413956 44.24448 
1 1 1   33   23   17 o   52.937   18.884  1152.74  1024.58   0.0000   0.0000  1152.74  1024.58  ?   ?    52.937   18.884 0.000000 18.88377 
1 1 1   33   23   18 o   37.230   16.838 -353.3836  1089.42   0.0000   0.0000 -353.3836  1089.42  ?   ?    37.230   16.838 0.000000 16.83817 
1 1 1   33   23   19 o   70.127   21.438  2520.63  1333.82   0.0000   0.0000  2520.63  1333.82  ?   ?    70.127   21.438 0.000000 21.43848 
1 1 1   33   25    0 o   22.332   10.861 -1107.0760  626.890   0.0000   0.0000 -1107.0760  626.890  ?   ?    22.332   10.861 0.000000 10.86139 
1 1 1   33   25    1 o  158.453   16.049 10418.94  2036.40   0.0000   0.0000 10418.94  2036.40  ?   ?   158.453   16.049 0.000000 16.04933 
1 1 1   33   25    2 o  296.381   19.053 36435.86  4560.73   0.0000   0.0000 36435.86  4560.73  ?   ?   296.381   19.053 0.000000 19.05253 
1 1 1   33   25    3 o  251.216   18.225 26189.07  3692.29   0.0000   0.0000 26189.07  3692.29  ?   ?   251.216   18.225 0.000000 18.22536 
1 1 1   33   25    4 o   96.958   17.825  4000.98  1351.59  4890.09  3248.46  3814.84  1486.35  106.472   33.605   94.173   20.053 12.29916 39.13334 
1 1 1   33   25    5 o   74.140   8.6868  2272.39  513.023  6224.10  2660.81  2119.81  522.833  118.683   28.054   71.486   9.2225 47.19679 29.53140 
1 1 1   33   25    6 o  315.174   14.638 40950.43  3745.90 42982.10  8405.04 40446.87  4184.45  311.466   33.776  312.153   16.569 -0.6861267 37.62089 
1 1 1   33   25    7 o  161.626   9.3644 10717.54  1223.67 23988.05  4212.93  9494.82  1278.81  237.415   22.108  151.896   10.432 85.51865 24.44602 
1 1 1   33   25    8 o  215.659   11.681 19180.15  2037.75 27349.30  5471.83 17864.77  2195.68  249.593   27.454  207.696   13.087 41.89661 30.41326 
1 1 1   33   25    9 o  254.613   13.516 26905.16  2784.26 28659.20  6678.55 26536.17  3063.14  249.384   33.857  252.211   15.026 -2.826965 37.04172 
1 1 1   33   25   10 o  371.057   17.120 57873.04  5158.12 65009.52 10506.13 55606.48  5920.84  372.426   35.159  360.752   20.296 11.67416 40.59625 
1 1 1   33   25   11 o  132.689   11.711  7334.48  1248.77 14706.39  4710.17  6777.14  1295.11  174.834   34.405  127.220   12.708 47.61480 36.67671 
1 1 1   33   25   12 o   96.811   12.799  3963.10  981.411  1625.91  4008.31  4112.15  1012.22   82.202   34.788   98.595   12.958 -16.39285 37.12312 
1 1 1   33   25   13 o   60.883   17.032  1629.93  874.992  213.719  4041.92  1699.56  896.244   74.764   33.225   62.100   17.190 12.66436 37.40803 
1 1 1   33   25   14 o   25.897   12.469 -1118.3820  775.189  814.476  4922.32 -1167.5380  784.984   81.174   36.327   25.849   12.471 55.32433 38.40850 
1 1 1   33   25   15 o   69.578   18.203  2200.28  1040.18  3436.61  4783.28  2138.91  1065.68   89.212   37.892   68.529   18.652 20.68314 42.23414 
1 1 1   33   25   16 o   36.895   16.621 -352.2086  1049.21   0.0000   0.0000 -352.2086  1049.21  ?   ?    36.895   16.621 0.000000 16.62053 
1 1 1   33   25   17 f   39.635   17.242   47.941  1036.51   0.0000   0.0000   47.941  1036.51  ?   ?    39.635   17.242 0.000000 17.24242 
1 1 1   33   25   18 o   47.257   18.929  779.161  1103.21   0.0000   0.0000  779.161  1103.21  ?   ?    47.257   18.929 0.000000 18.92853 
1 1 1   33   27    0 o  213.863   17.532 19101.72  3017.64   0.0000   0.0000 19101.72  3017.64  ?   ?   213.863   17.532 0.000000 17.53190 
1 1 1   33   27    1 o   48.251   18.671  642.219  1041.30   0.0000   0.0000  642.219  1041.30  ?   ?    48.251   18.671 0.000000 18.67150 
1 1 1   33   27    2 f  332.066   21.525 46538.60  5772.51   0.0000   0.0000 46538.60  5772.51  ?   ?   332.066   21.525 0.000000 21.52520 
1 1 1   33   27    3 o   67.168   20.559  1906.89  1226.18   0.0000   0.0000  1906.89  1226.18  ?   ?    67.168   20.559 0.000000 20.55871 
1 1 1   33   27    4 o  215.183   15.901 19314.20  2758.65 24544.26  5790.67 17778.76  3137.57  234.531   31.181  205.216   19.047 29.31412 36.53818 
1 1 1   33   27    5 o  411.926   20.916 71934.57  6972.75 85877.26 12700.84 65919.22  8342.37  432.148   36.539  389.295   26.550 42.85291 45.16623 
1 1 1   33   27    6 o  304.063   16.956 38770.95  4169.52 39543.73  9102.04 38565.71  4690.61  287.516   40.078  301.885   19.236 -14.36932 44.45573 
1 1 1   33   27    7 o   43.101   11.672  791.268  418.524  2868.19  3002.29  750.107  422.651   85.903   32.059   42.078   11.860 43.82465 34.18227 
1 1 1   33   27    8 o   98.408   10.554  4029.71  830.122  5202.29  4616.75  3990.53  843.876  107.325   39.813   97.867   10.799 9.457764 41.25209 
1 1 1   33   27    9 o   94.020   11.460  3704.23  856.731 -516.5977  4745.63  3846.43  871.043   78.785   35.432   95.842   11.418 -17.05758 37.22663 
1 1 1   33   27   10 o   78.522   13.421  2637.77  824.976  6930.50  4068.25  2453.67  842.479  116.901   37.683   75.435   14.277 41.46542 40.29704 
1 1 1   33   27   11 o   58.774   15.863  1512.19  774.598  3848.83  5029.84  1455.43  783.950   97.186   39.865   57.727   16.112 39.45865 42.99790 
1 1 1   33   27   12 o   57.419   16.598  1445.10  817.543 -9863.7734  5357.36  1714.73  827.232   58.612   29.119   62.280   16.204 -3.667610 33.32399 
1 1 1   33   27   13 o  131.685   13.689  7402.02  1442.24  6984.67  6537.56  7423.37  1478.67  108.919   45.140  131.711   14.043 -22.79199 47.27419 
1 1 1   33   27   14 o   72.218   18.827  2396.68  1115.34 -5317.9922  6724.67  2614.91  1131.01   72.017   35.147   75.523   18.573 -3.505737 39.75266 
1 1 1   33   27   15 o   32.696   15.059 -564.6153  924.038   0.0000   0.0000 -564.6153  924.038  ?   ?    32.696   15.059 0.000000 15.05891 
1 1 1   33   27   16 o   70.944   21.282  2484.53  1323.51   0.0000   0.0000  2484.53  1323.51  ?   ?    70.944   21.282 0.000000 21.28247 
1 1 1   33   27   17 o   49.209   19.876  866.956  1227.44   0.0000   0.0000  866.956  1227.44  ?   ?    49.209   19.876 0.000000 19.87553 
1 1 1   33   29    0 o  207.230   28.871 19309.94  4725.94   0.0000   0.0000 19309.94  4725.94  ?   ?   207.230   28.871 0.000000 28.87076 
1 1 1   33   29    1 o  214.721   29.191 20764.49  4957.42   0.0000   0.0000 20764.49  4957.42  ?   ?   214.721   29.191 0.000000 29.19095 
1 1 1   33   29    2 o  482.388   45.878 117551.60 17753.22   0.0000   0.0000 117551.60 17753.22  ?   ?   482.388   45.878 0.000000 45.87790 
1 1 1   33   29    3 o  228.847   26.914 23302.87  4905.46   0.0000   0.0000 23302.87  4905.46  ?   ?   228.847   26.914 0.000000 26.91370 
1 1 1   33   29    4 o  169.350   25.158 12749.44  3354.25   0.0000   0.0000 12749.44  3354.25  ?   ?   169.350   25.158 0.000000 25.15787 
1 1 1   33   29    5 o   61.194   22.998  1297.00  1550.35  6509.70  4331.08  530.907  1660.37  115.417   38.953   55.126   22.790 60.29116 45.13021 
1 1 1   33   29    6 o   15.730   7.4631 -314.4797  256.687  2979.59  4214.33 -326.7455  257.164   91.596   36.887   15.609   7.4242 75.98737 37.62688 
1 1 1   33   29    7 o   98.087   10.150  4005.68  796.711  852.396  4940.10  4089.89  807.278   84.819   37.251   99.118   10.175 -14.29868 38.61601 
1 1 1   33   29    8 o  108.197   10.590  4881.35  918.413  1421.24  5222.97  4991.75  932.950   87.935   38.469  109.411   10.636 -21.47610 39.91240 
1 1 1   33   29    9 o  138.441   11.345  8005.43  1264.06 13048.38  6399.45  7800.68  1289.47  147.716   47.225  136.510   11.748 11.20595 48.66428 
1 1 1   33   29   10 o   24.790   11.306 -306.4912  503.859  4135.55  4754.65 -356.9422  506.712   96.070   39.008   24.351   11.192 71.71944 40.58129 
1 1 1   33   29   11 o   94.672   13.865  3859.83  1034.21  5278.63  6640.65  3824.56  1046.98  102.671   44.151   94.127   14.136 8.543945 46.35908 
1 1 1   33   29   12 f   51.294   17.418  1098.39  866.064 -199.1683  6775.19  1119.95  873.228   83.636   39.269   51.690   17.491 31.94572 42.98803 
1 1 1   33   29   13 o   89.015   16.926  3574.19  1178.66   0.0000   0.0000  3574.19  1178.66  ?   ?    89.015   16.926 0.000000 16.92618 
1 1 1   33   29   14 o   66.084   19.161  2062.51  1088.08   0.0000   0.0000  2062.51  1088.08  ?   ?    66.084   19.161 0.000000 19.16143 
1 1 1   33   29   15 o   54.116   20.319  1253.88  1209.59   0.0000   0.0000  1253.88  1209.59  ?   ?    54.116   20.319 0.000000 20.31868 
1 1 1   33   29   16 o  119.682   24.679  7787.10  2318.60   0.0000   0.0000  7787.10  2318.60  ?   ?   119.682   24.679 0.000000 24.67924 
1 1 1   33   31    0 o  183.557   20.608 14700.21  3018.45   0.0000   0.0000 14700.21  3018.45  ?   ?   183.557   20.608 0.000000 20.60834 
1 1 1   33   31    1 o  271.231   22.422 32301.65  4893.83   0.0000   0.0000 32301.65  4893.83  ?   ?   271.231   22.422 0.000000 22.42247 
1 1 1   33   31    2 o  239.313   22.111 25149.55  4247.92   0.0000   0.0000 25149.55  4247.92  ?   ?   239.313   22.111 0.000000 22.11109 
1 1 1   33   31    3 o  149.868   25.333 10223.33  2972.85   0.0000   0.0000 10223.33  2972.85  ?   ?   149.868   25.333 0.000000 25.33309 
1 1 1   33   31    4 o  154.570   26.466 10996.92  3202.14   0.0000   0.0000 10996.92  3202.14  ?   ?   154.570   26.466 0.000000 26.46570 
1 1 1   33   31    5 o  205.267   20.689 18485.18  3401.22 23054.86  7835.73 17424.32  3775.43  198.635   48.909  196.666   24.150 1.969269 54.54631 
1 1 1   33   31    6 o  162.371   10.068 10936.83  1320.87 23198.26  5829.12 10273.17  1356.15  216.253   34.345  157.134   10.693 59.11966 35.97143 
1 1 1   33   31    7 o   92.949   10.502  3623.87  778.719  3443.10  5164.38  3628.07  787.725   94.093   39.636   92.970   10.626 1.123627 41.03534 
1 1 1   33   31    8 o   62.598   11.932  1687.88  584.359  8692.17  5179.78  1597.58  588.114  121.456   42.541   60.757   12.342 60.69850 44.29559 
1 1 1   33   31    9 o   28.209   11.845   66.782  458.859 19484.53  6359.13 -34.8494  460.058  180.822   43.780   26.745   11.561 154.0777 45.28041 
1 1 1   33   31   10 o  157.026   12.304 10451.33  1556.17 26880.30  8744.89  9914.06  1581.41  189.417   54.146  152.606   12.883 36.81071 55.65731 
1 1 1   33   31   11 o  135.779   12.927  7906.26  1407.99   0.0000   0.0000  7906.26  1407.99  ?   ?   135.779   12.927 0.000000 12.92715 
1 1 1   33   31   12 o  115.431   14.773  5878.16  1352.81   0.0000   0.0000  5878.16  1352.81  ?   ?   115.431   14.773 0.000000 14.77250 
1 1 1   33   31   13 o   64.179   19.097  1973.04  1068.84   0.0000   0.0000  1973.04  1068.84  ?   ?    64.179   19.097 0.000000 19.09680 
1 1 1   33   31   14 o   45.808   18.442  700.129  1053.11   0.0000   0.0000  700.129  1053.11  ?   ?    45.808   18.442 0.000000 18.44233 
1 1 1   33   33    0 o  183.035   22.620 15142.61  3290.18   0.0000   0.0000 15142.61  3290.18  ?   ?   183.035   22.620 0.000000 22.61973 
1 1 1   33   33    1 o  167.955   26.878 13283.37  3541.80   0.0000   0.0000 13283.37  3541.80  ?   ?   167.955   26.878 0.000000 26.87751 
1 1 1   33   33    2 o  114.988   30.227  6578.67  2859.36   0.0000   0.0000  6578.67  2859.36  ?   ?   114.988   30.227 0.000000 30.22673 
1 1 1   33   33    3 o  125.096   30.813  7835.28  3109.24   0.0000   0.0000  7835.28  3109.24  ?   ?   125.096   30.813 0.000000 30.81293 
1 1 1   33   33    4 o   98.222   31.646  4879.44  2869.38   0.0000   0.0000  4879.44  2869.38  ?   ?    98.222   31.646 0.000000 31.64565 
1 1 1   33   33    5 o  116.755   29.989  6868.73  2858.00   0.0000   0.0000  6868.73  2858.00  ?   ?   116.755   29.989 0.000000 29.98928 
1 1 1   33   33    6 o   99.682   9.9336  4165.97  793.300 -1936.0699  7834.98  4229.17  797.398   84.605   40.446  100.451   9.9054 -15.84613 41.64089 
1 1 1   33   33    7 o  142.335   11.219  8535.60  1286.13 19454.58  8438.69  8275.94  1301.33  153.581   54.257  139.989   11.552 13.59222 55.47321 
1 1 1   33   33    8 o  140.524   11.091  8336.87  1255.18 27708.59  8799.52  7934.54  1268.15  187.011   54.568  136.867   11.518 50.14438 55.77064 
1 1 1   33   33    9 o   65.344   12.398  1867.82  633.724   0.0000   0.0000  1867.82  633.724  ?   ?    65.344   12.398 0.000000 12.39777 
1 1 1   33   33   10 o   43.757   15.139  789.813  655.011   0.0000   0.0000  789.813  655.011  ?   ?    43.757   15.139 0.000000 15.13908 
1 1 1   33   33   11 o   57.338   17.263  1532.59  869.640   0.0000   0.0000  1532.59  869.640  ?   ?    57.338   17.263 0.000000 17.26303 
1 1 1   33   33   12 o  124.098   15.057  6990.87  1486.12   0.0000   0.0000  6990.87  1486.12  ?   ?   124.098   15.057 0.000000 15.05698 
1 1 1   33   33   13 o   32.916   15.389 -662.2726  1021.84   0.0000   0.0000 -662.2726  1021.84  ?   ?    32.916   15.389 0.000000 15.38934 
1 1 1   33   35    0 o  127.960   31.297  8642.84  3224.78   0.0000   0.0000  8642.84  3224.78  ?   ?   127.960   31.297 0.000000 31.29658 
1 1 1   33   35    1 o  121.314   30.168  7666.84  2959.10   0.0000   0.0000  7666.84  2959.10  ?   ?   121.314   30.168 0.000000 30.16763 
1 1 1   33   35    2 o   52.637   24.045 -694.3229  2291.33   0.0000   0.0000 -694.3229  2291.33  ?   ?    52.637   24.045 0.000000 24.04511 
1 1 1   33   35    3 o  107.021   33.252  6371.54  3194.15   0.0000   0.0000  6371.54  3194.15  ?   ?   107.021   33.252 0.000000 33.25246 
1 1 1   33   35    4 o   69.304   29.039  1617.60  2748.46   0.0000   0.0000  1617.60  2748.46  ?   ?    69.304   29.039 0.000000 29.03937 
1 1 1   33   35    5 o   71.145   29.909  1833.31  2931.26   0.0000   0.0000  1833.31  2931.26  ?   ?    71.145   29.909 0.000000 29.90918 
1 1 1   33   35    6 o   62.275   27.948  307.826  2935.40   0.0000   0.0000  307.826  2935.40  ?   ?    62.275   27.948 0.000000 27.94831 
1 1 1   33   35    7 o   70.020   10.540  2109.15  580.681   0.0000   0.0000  2109.15  580.681  ?   ?    70.020   10.540 0.000000 10.54032 
1 1 1   33   35    8 o   52.590   11.634  1224.13  483.633   0.0000   0.0000  1224.13  483.633  ?   ?    52.590   11.634 0.000000 11.63432 
1 1 1   33   35    9 o   57.332   13.399  1491.01  612.539   0.0000   0.0000  1491.01  612.539  ?   ?    57.332   13.399 0.000000 13.39907 
1 1 1   33   35   10 o   24.580   11.010 -148.3406  453.223   0.0000   0.0000 -148.3406  453.223  ?   ?    24.580   11.010 0.000000 11.00993 
1 1 1   33   35   11 o   45.897   16.136  946.563  745.536   0.0000   0.0000  946.563  745.536  ?   ?    45.897   16.136 0.000000 16.13590 
1 1 1   33   37    0 o   98.337   35.252  6306.82  3574.71   0.0000   0.0000  6306.82  3574.71  ?   ?    98.337   35.252 0.000000 35.25183 
1 1 1   33   37    1 o   97.556   33.788  5974.36  3263.19   0.0000   0.0000  5974.36  3263.19  ?   ?    97.556   33.788 0.000000 33.78848 
1 1 1   33   37    2 o   54.809   25.920 -1392.6331  3047.97   0.0000   0.0000 -1392.6331  3047.97  ?   ?    54.809   25.920 0.000000 25.91962 
1 1 1   33   37    3 o   90.811   35.703  5554.91  3855.69   0.0000   0.0000  5554.91  3855.69  ?   ?    90.811   35.703 0.000000 35.70258 
1 1 1   33   37    4 f   84.292   33.536  4511.53  3439.61   0.0000   0.0000  4511.53  3439.61  ?   ?    84.292   33.536 0.000000 33.53568 
1 1 1   33   37    5 o   75.705   31.634  3277.75  3248.65   0.0000   0.0000  3277.75  3248.65  ?   ?    75.705   31.634 0.000000 31.63444 
1 1 1   33   37    6 o   53.819   25.936 -1897.1410  3371.77   0.0000   0.0000 -1897.1410  3371.77  ?   ?    53.819   25.936 0.000000 25.93583 
1 1 1   33   37    7 o   70.193   10.632  2157.07  587.002   0.0000   0.0000  2157.07  587.002  ?   ?    70.193   10.632 0.000000 10.63218 
1 1 1   33   37    8 o   87.243   11.627  3375.49  803.144   0.0000   0.0000  3375.49  803.144  ?   ?    87.243   11.627 0.000000 11.62708 
1 1 1   33   39    0 o   55.271   26.519 -858.9471  3437.08   0.0000   0.0000 -858.9471  3437.08  ?   ?    55.271   26.519 0.000000 26.51923 
1 1 1   33   39    1 o   67.149   30.083  2473.48  3385.03   0.0000   0.0000  2473.48  3385.03  ?   ?    67.149   30.083 0.000000 30.08281 
1 1 1   33   39    2 o   64.083   30.053  1471.09  3948.24   0.0000   0.0000  1471.09  3948.24  ?   ?    64.083   30.053 0.000000 30.05263 
1 1 1   33   39    3 o   77.311   33.941  5123.51  4097.86   0.0000   0.0000  5123.51  4097.86  ?   ?    77.311   33.941 0.000000 33.94141 
1 1 1   33   39    4 o   78.461   34.875  5983.23  4455.60   0.0000   0.0000  5983.23  4455.60  ?   ?    78.461   34.875 0.000000 34.87466 
1 1 1   33   39    5 o   79.532   39.219 14011.97  9077.84   0.0000   0.0000 14011.97  9077.84  ?   ?    79.532   39.219 0.000000 39.21885 
1 1 1   34    0    0 o  611.761   43.316 155045.00 21268.69   0.0000   0.0000 155045.00 21268.69  611.761   43.316  611.761   43.316 0.000000 0.000000 
1 1 1   34    0    1 o  378.770   27.957 59323.60  8490.36   0.0000   0.0000 59323.60  8490.36  378.770   27.957  378.770   27.957 0.000000 0.000000 
1 1 1   34    0    2 f  461.911   23.861 87458.38  8894.66 72578.81 12649.25 102011.70 12509.81  416.808   38.108  497.639   31.242 0.000000 0.000000 
1 1 1   34    0    3 o  1362.92   65.528 769302.19 72134.49 798795.12 102112.00 739922.69 101915.50  1375.85   92.360  1321.37   96.160 0.000000 0.000000 
1 1 1   34    0    4 o  1349.90   66.889 756381.81 72904.47 699698.38 103203.00 812844.88 103002.30  1279.91  100.741  1386.29   92.450 0.000000 0.000000 
1 1 1   34    0    5 o  121.114   9.2598  6061.06  898.379  5809.72  1350.94  6260.34  1202.91  116.818   14.905  122.288   12.407 0.000000 0.000000 
1 1 1   34    0    6 o  765.216   37.745 241283.91 23321.90 232590.80 33096.06 249858.30 32869.40  744.767   55.435  773.396   52.911 0.000000 0.000000 
1 1 1   34    0    7 o  1072.35   76.847 493898.69 66121.88   0.0000   0.0000 493898.69 66121.88  1072.35   76.847  1072.35   76.847 0.000000 0.000000 
1 1 1   34    0    8 o  255.076   13.937 26698.31  2866.92 27464.44  4167.52 26010.03  3950.09  257.256   20.240  250.372   19.712 0.000000 0.000000 
1 1 1   34    0    9 o  567.281   28.109 132696.41 12874.88 132702.50 18320.37 132690.50 18097.34  562.606   40.590  562.807   40.069 0.000000 0.000000 
1 1 1   34    0   10 o  590.770   42.694 146915.09 20233.82 146915.09 20233.82   0.0000   0.0000  590.770   42.694  590.770   42.694 0.000000 0.000000 
1 1 1   34    0   11 o  242.051   20.582 24431.12  3977.92 24431.12  3977.92   0.0000   0.0000  242.051   20.582  242.051   20.582 0.000000 0.000000 
1 1 1   34    0   13 o  443.074   32.388 82470.81 11508.79   0.0000   0.0000 82470.81 11508.79  443.074   32.388  443.074   32.388 0.000000 0.000000 
1 1 1   34    0   14 o  172.755   16.451 12511.90  2259.46   0.0000   0.0000 12511.90  2259.46  172.755   16.451  172.755   16.451 0.000000 0.000000 
1 1 1   34    0   15 o  497.735   26.070 103373.00 10470.11 95698.28 14968.04 110726.00 14650.98  470.186   39.866  509.318   35.835 0.000000 0.000000 
1 1 1   34    0   16 o  106.171   13.461  4825.01  1109.65  5218.30  1761.82  4566.41  1428.61  105.476   23.552  100.096   19.770 0.000000 0.000000 
1 1 1   34    0   17 o   51.485   20.006  1494.94  796.585  3044.39  1211.46  314.739  1057.30   77.936   22.101   32.340   20.082 0.000000 0.000000 
1 1 1   34    0   18 o  186.402   13.897 14539.83  2076.44 12642.55  3163.45 15976.04  2752.35  167.971   24.777  193.753   17.843 0.000000 0.000000 
1 1 1   34    0   19 o   20.767   13.965 -262.0527  670.420   41.010  1233.64 -389.0728  798.651   31.666   20.471   22.025   14.936 0.000000 0.000000 
1 1 1   34    0   20 o  119.344   15.276  6206.13  1413.89  6506.65  2493.95  6063.80  1716.37  110.482   32.035  115.072   20.241 0.000000 0.000000 
1 1 1   34    0   21 o   34.049   19.555  659.413  861.925 -162.3970  2077.89  830.206  947.265   38.266   25.365   37.129   20.830 0.000000 0.000000 
1 1 1   34    0   22 o  153.963   15.391 10346.28  1880.02  9580.42  3281.03 10720.65  2293.94  129.928   35.958  154.032   19.137 0.000000 0.000000 
1 1 1   34    0   23 o  109.228   17.424  5546.71  1427.46  9684.28  3298.27  4593.09  1583.44  125.022   37.316   93.183   24.218 0.000000 0.000000 
1 1 1   34    2    0 o  332.856   17.447 45181.21  4698.93 48551.16  6643.16 41806.91  6647.44  344.435   23.901  319.256   25.866 25.17978 35.21818 
1 1 1   34    2    1 o  758.128   29.518 234478.59 18170.62 237823.41 22264.12 227806.41 31444.92  762.623   35.955  741.601   52.561 21.02142 63.68216 
1 1 1   34    2    2 o  429.558   15.542 75012.29  5420.81 75869.17  7648.65 74147.52  7683.83  431.167   21.920  426.196   22.281 4.970337 31.25585 
1 1 1   34    2    3 o  813.617   28.282 269973.19 18683.84 278524.91 26403.05 261395.59 26442.87  824.641   39.432  797.586   40.970 27.05511 56.86299 
1 1 1   34    2    4 o  547.914   19.569 122168.40  8706.02 122288.70 12300.61 122047.60 12323.77  546.831   27.795  546.277   27.877 0.5535278 39.36581 
1 1 1   34    2    5 o  571.742   20.189 133108.80  9372.44 130982.10 13247.62 135240.09 13261.65  565.539   28.946  575.463   28.382 -9.924316 40.53924 
1 1 1   34    2    6 o  685.935   23.990 192081.80 13361.30 215177.59 18898.63 169000.09 18892.85  724.412   32.130  640.076   36.503 84.33557 48.62921 
1 1 1   34    2    7 o  360.147   13.390 52778.98  3915.66 61994.34  5548.40 43635.18  5526.81  390.006   17.521  326.263   20.974 63.74359 27.32917 
1 1 1   34    2    8 o  391.108   19.526 62476.51  6200.74 65685.68  8899.00 59448.02  8644.87  398.907   27.645  379.254   28.276 19.65280 39.54489 
1 1 1   34    2    9 o  194.310   9.5213 15352.84  1502.20 15870.96  2722.09 15125.96  1801.34  196.464   17.238  192.449   11.582 4.014755 20.76751 
1 1 1   34    2   10 f  936.156   43.906 369109.41 33374.25 428726.91 47332.71 310164.19 47065.07  993.276   58.952  832.968   70.243 160.3074 91.70317 
1 1 1   34    2   11 o  387.763   19.950 61732.21  6260.06 61732.21  6260.06   0.0000   0.0000  387.763   19.950  ?   ?  0.000000 19.95023 
1 1 1   34    2   12 o  309.912   16.573 39368.93  4155.21 40033.73  6026.18 38766.36  5737.17  310.900   24.059  306.110   23.256 4.789368 33.46178 
1 1 1   34    2   13 o  173.109   9.8741 12239.36  1382.14 12954.34  1680.71 10745.81  2429.16  177.901   11.701  160.787   18.972 17.11470 22.28993 
1 1 1   34    2   14 o  402.975   21.058 67091.92  6866.31 69793.73  9589.95 64249.94  9835.57  407.839   29.152  390.257   31.303 17.58185 42.77462 
1 1 1   34    2   15 o  223.012   10.957 20299.30  1983.99 23336.46  3362.35 18677.03  2457.38  237.504   17.560  213.053   14.288 24.45068 22.63837 
1 1 1   34    2   16 o  163.234   9.8547 10924.28  1300.03 11599.65  2108.35 10509.97  1651.31  166.999   15.734  159.547   12.856 7.451248 20.31836 
1 1 1   34    2   17 o  185.342   9.4062 14089.90  1410.91 15557.51  2020.98 12694.51  1970.63  193.932   12.908  174.799   14.002 19.13319 19.04402 
1 1 1   34    2   18 o   35.110   13.072  393.778  498.610  451.926  716.024  339.035  694.740   40.153   15.498   38.090   15.098 2.062412 21.63658 
1 1 1   34    2   19 f  145.312   9.1822  8704.52  1077.82  7898.34  1522.53  9514.42  1526.03  137.048   13.873  150.982   12.562 -13.93387 18.71561 
1 1 1   34    2   20 o   87.985   11.266  3258.94  786.356  2830.22  1134.08  3655.94  1091.31   79.912   17.920   92.062   15.125 -12.15054 23.44959 
1 1 1   34    2   21 o   77.334   12.688  2570.22  769.072  2365.00  1103.95  2763.74  1072.02   72.323   18.671   78.671   17.257 -6.347801 25.42444 
1 1 1   34    2   22 o   36.508   14.521  344.370  644.778  186.729  802.539  631.399  1082.92   37.413   15.685   46.969   18.775 -9.556454 24.46455 
1 1 1   34    2   23 o   61.153   14.745  1704.50  723.588  2812.94  982.274  389.335  1069.95   78.333   15.985   43.371   18.142 34.96154 24.17930 
1 1 1   34    4    0 o  577.855   40.668 137498.50 18959.85   0.0000   0.0000 137498.50 18959.85  ?   ?   577.855   40.668 0.000000 40.66824 
1 1 1   34    4    1 o  193.789   8.8492 15253.12  1392.43 14823.07  1693.68 16149.98  2445.87  190.699   10.985  198.734   15.274 -8.035355 18.81394 
1 1 1   34    4    2 o  634.731   21.555 163996.09 11109.11 164891.00 15672.96 163092.50 15748.62  635.637   30.367  632.126   30.683 3.510437 43.16967 
1 1 1   34    4    3 o  619.328   21.667 156156.70 10895.71 166290.30 15380.89 145949.09 15437.00  638.329   29.676  596.928   31.966 41.40063 43.61688 
1 1 1   34    4    4 o  661.626   23.728 178383.41 12747.22 190269.30 18015.30 166465.80 18039.29  682.198   32.523  636.807   35.022 45.39087 47.79461 
1 1 1   34    4    5 f  1087.69   52.743 491214.00 46581.25   0.0000   0.0000 491214.00 46581.25  ?   ?   1087.69   52.743 0.000000 52.74325 
1 1 1   34    4    6 o  507.871   20.402 105183.80  8413.17 106505.60 14693.12 104539.10 10261.96  507.483   35.889  505.751   24.989 1.732269 43.73219 
1 1 1   34    4    7 o  439.414   21.619 78895.30  7713.27 85281.84 11025.08 72772.57 10794.97  454.543   30.042  419.266   31.950 35.27750 43.85573 
1 1 1   34    4    8 o  866.500   34.119 310665.31 24005.00 331262.00 29424.24 269674.81 41509.59  891.248   40.660  785.419   65.692 105.8285 77.25755 
1 1 1   34    4    9 o  727.169   28.646 217844.91 16913.85 243238.20 20746.73 167519.20 29206.90  766.408   33.339  621.205   58.597 145.2029 67.41713 
1 1 1   34    4   10 o  378.292   15.642 58381.50  4804.46 60055.72  5891.04 55056.10  8302.45  383.246   18.931  364.316   28.288 18.92978 34.03848 
1 1 1   34    4   11 o  441.065   15.320 79394.84  5486.40 79548.09  7787.98 79243.86  7730.21  440.314   21.783  439.497   21.662 0.8170776 30.72056 
1 1 1   34    4   12 o  121.890   8.7541  6074.58  860.628  6779.80  1676.23  5822.13  1002.91  127.738   16.550  119.130   10.475 8.607788 19.58646 
1 1 1   34    4   13 o  256.851   10.196 26865.47  2126.49 28027.33  3042.24 25755.47  2973.55  261.565   14.380  250.660   14.674 10.90503 20.54511 
1 1 1   34    4   14 o  256.002   10.326 26706.69  2146.46 26424.77  3062.96 26978.74  3008.86  253.700   14.935  256.435   14.510 -2.734985 20.82290 
1 1 1   34    4   15 o  312.802   14.245 40102.29  3618.00 41654.72  4423.24 36963.96  6289.04  317.665   17.213  295.853   26.459 21.81223 31.56556 
1 1 1   34    4   16 o   45.712   15.006  827.076  643.631  1001.34  765.221  405.641  1189.99   50.091   16.358   47.932   19.495 2.158646 25.44847 
1 1 1   34    4   17 o  300.556   13.551 37285.85  3306.93 37393.67  5566.00 37227.04  4111.22  295.449   23.393  298.457   17.036 -3.007385 28.93865 
1 1 1   34    4   18 o  146.632   9.7321  8860.20  1152.13  8178.00  1797.43  9335.97  1501.04  139.011   16.230  149.844   12.450 -10.83212 20.45511 
1 1 1   34    4   19 o  173.588   9.4728 12422.43  1330.13 10367.13  1849.83 14622.73  1913.97  156.821   14.699  187.296   12.660 -30.47490 19.39921 
1 1 1   34    4   20 o   78.031   11.860  2585.22  727.775  2307.32  1033.24  2858.84  1025.27   72.071   17.769   80.808   16.190 -8.736671 24.03862 
1 1 1   34    4   21 o   30.484   13.188 -39.1690  599.647 -343.6949  834.843  285.385  861.859   32.933   14.832   39.985   16.463 -7.051968 22.15895 
1 1 1   34    4   22 o   46.199   15.421  896.890  678.717  1724.97  913.177 -125.1404  1014.50   61.529   17.465   38.174   16.820 23.35507 24.24769 
1 1 1   34    4   23 o   67.883   14.449  2089.52  771.949  1887.96  1018.72  2361.33  1183.01   62.982   18.621   69.674   19.915 -6.691757 27.26409 
1 1 1   34    6    0 o  865.007   60.399 311692.31 42155.08   0.0000   0.0000 311692.31 42155.08  ?   ?   865.007   60.399 0.000000 60.39855 
1 1 1   34    6    1 o  705.066   34.240 203219.70 19602.27 206497.50 27787.38 199972.70 27656.67  706.637   48.728  695.178   49.317 11.45917 69.32903 
1 1 1   34    6    2 o  384.749   19.722 60398.20  6140.54 63673.48  8743.43 57210.40  8625.85  394.174   27.491  373.373   28.671 20.80133 39.72131 
1 1 1   34    6    3 o  525.545   25.867 112628.50 11038.28   0.0000   0.0000 112628.50 11038.28  ?   ?   525.545   25.867 0.000000 25.86743 
1 1 1   34    6    4 o  532.302   37.640 116848.00 16163.67   0.0000   0.0000 116848.00 16163.67  ?   ?   532.302   37.640 0.000000 37.64028 
1 1 1   34    6    5 o  226.394   10.166 20829.29  1868.77 20668.89  2289.92 21149.11  3233.54  225.111   12.578  227.216   17.666 -2.105042 21.68616 
1 1 1   34    6    6 o  583.449   24.161 139202.50 11446.00 147884.09 14025.13 121889.00 19806.17  600.467   28.766  539.224   45.666 61.24207 53.97087 
1 1 1   34    6    7 o  999.967   34.402 413321.69 27932.05 444681.19 39526.66 382040.69 39477.15  1029.07   47.305  949.813   51.379 79.25952 69.83958 
1 1 1   34    6    8 o  124.977   6.8798  6365.57  695.450  6598.03  1000.19  6148.00  967.646  127.005   9.7740  122.567   9.8052 4.437782 13.84464 
1 1 1   34    6    9 o  403.714   21.925 66958.13  7160.05 66958.13  7160.05   0.0000   0.0000  403.714   21.925  ?   ?  0.000000 21.92481 
1 1 1   34    6   10 o  409.136   14.917 68273.34  4955.37 69095.10  7046.02 67469.13  6970.49  410.088   21.233  405.216   21.260 4.872314 30.04715 
1 1 1   34    6   11 o  105.268   6.8866  4523.04  585.383  4407.92  848.108  4627.80  808.990  103.573   10.218  106.234   9.4782 -2.662041 13.93711 
1 1 1   34    6   12 o  506.559   20.019 105290.80  8233.82 122287.20 14511.74 97221.23  9999.18  539.977   33.260  484.530   25.506 55.44730 41.91392 
1 1 1   34    6   13 f  665.801   22.949 182878.80 12406.44 189809.70 17593.67 176023.50 17497.44  673.140   32.189  646.681   33.438 26.45886 46.41361 
1 1 1   34    6   14 o  153.741   8.0559  9645.54  1002.14  9642.95  1454.76  9647.87  1382.48  153.273   11.779  153.395   11.177 -0.1222839 16.23790 
1 1 1   34    6   15 o  123.096   8.2132  6200.26  816.189  5982.09  1185.04  6397.15  1125.77  120.306   12.304  124.625   11.246 -4.318977 16.66974 
1 1 1   34    6   16 o   62.629   10.731  1650.05  526.073  1688.08  706.470  1602.71  788.179   62.806   14.188   61.136   15.773 1.669563 21.21537 
1 1 1   34    6   17 o  123.729   10.303  6320.24  1025.65  6596.03  1226.97  5680.47  1868.75  126.021   12.141  114.337   20.899 11.68392 24.17006 
1 1 1   34    6   18 o   40.098   14.351  575.504  592.205  1252.76  666.610 -1960.4210  1289.92   53.984   14.777   32.979   15.930 21.00499 21.72820 
1 1 1   34    6   19 o  331.641   15.087 46137.13  4062.74 46370.55  6794.73 46007.24  5068.59  321.400   26.266  327.511   19.143 -6.111328 32.50217 
1 1 1   34    6   20 o   60.234   12.718  1569.72  602.498  1686.73  776.475  1392.67  955.125   61.943   15.481   57.091   18.244 4.852890 23.92688 
1 1 1   34    6   21 o   94.921   11.079  3808.04  837.789  3052.03  1079.06  4955.41  1329.33   82.832   16.622  106.463   15.862 -23.63181 22.97594 
1 1 1   34    6   22 o  144.718   10.596  8838.56  1236.47  8562.62  1671.94  9171.65  1836.94  139.857   14.955  144.075   15.971 -4.217224 21.87981 
1 1 1   34    6   23 o   32.508   13.185  243.687  542.595  919.433  609.595 -2333.4360  1190.47   45.593   14.575   28.494   14.079 17.09911 20.26476 
1 1 1   34    8    0 o  149.296   15.453  9159.95  1846.14   0.0000   0.0000  9159.95  1846.14  ?   ?   149.296   15.453 0.000000 15.45294 
1 1 1   34    8    1 o  433.323   22.079 76677.01  7742.78 78028.75 11023.69 75360.85 10877.65  435.863   31.358  428.286   31.501 7.577698 44.44812 
1 1 1   34    8    2 o  632.791   30.822 163672.80 15836.47 172000.91 22458.22 155436.00 22334.58  645.227   43.115  612.691   45.214 32.53619 62.47627 
1 1 1   34    8    3 o  695.584   33.657 198238.70 19008.90 210314.41 26952.91 186288.09 26812.93  711.951   46.887  668.966   49.718 42.98535 68.33980 
1 1 1   34    8    4 o  1317.93   52.053 723901.88 55703.05 760995.31 96635.59 705444.31 68167.40  1314.24   91.120  1290.05   65.290 24.19495 112.0967 
1 1 1   34    8    5 o  1427.18   57.076 859583.00 66141.18 889396.00 114746.30 844748.88 80940.42  1392.18  102.224  1398.27   71.531 -6.090698 124.7652 
1 1 1   34    8    6 o  353.556   13.418 50883.46  3852.02 58501.00  5469.86 43388.77  5425.57  378.718   17.788  325.249   20.651 53.46884 27.25591 
1 1 1   34    8    7 o  202.590   8.7349 16684.09  1436.85 19305.49  2054.21 14172.97  2010.54  217.503   11.674  186.083   13.396 31.42044 17.76929 
1 1 1   34    8    8 o  199.725   9.5090 16221.40  1542.07 18154.73  1916.41 12670.26  2597.28  210.926   11.230  175.150   18.545 35.77663 21.68029 
1 1 1   34    8    9 o  393.150   16.683 63100.22  5325.64 63098.02  6536.44 63104.58  9185.35  392.048   20.606  389.905   29.226 2.142303 35.75974 
1 1 1   34    8   10 o  152.209   7.5037  9417.45  927.370  9487.38  1320.02  9349.30  1303.14  152.298   10.743  151.186   10.684 1.111786 15.15175 
1 1 1   34    8   11 o  543.476   19.113 121008.00  8434.42 121233.70 11975.58 120785.80 11881.13  540.771   27.363  539.839   27.193 0.9321289 38.57666 
1 1 1   34    8   12 o  297.338   11.601 36030.05  2800.70 36406.76  4000.36 35667.89  3922.35  297.842   16.608  294.825   16.451 3.016998 23.37590 
1 1 1   34    8   13 o  324.786   12.248 43037.37  3229.92 44155.61  4619.32 41967.67  4517.96  327.706   17.423  319.448   17.485 8.258453 24.68329 
1 1 1   34    8   14 o  463.862   16.336 88326.51  6152.64 90088.52  8763.14 86613.48  8640.45  465.883   23.166  456.151   23.407 9.731262 32.93260 
1 1 1   34    8   15 o  130.436   8.1260  6960.48  856.346  7921.77  1220.01  6026.89  1202.30  138.783   10.915  120.670   12.450 18.11316 16.55669 
1 1 1   34    8   16 o  145.995   8.2329  8728.00  971.969  9019.83  1387.33  8446.67  1362.16  147.800   11.655  142.959   11.842 4.841644 16.61491 
1 1 1   34    8   17 o  345.938   13.045 49433.07  3664.27 53195.47  5260.13 45886.05  5107.36  355.514   18.284  329.543   19.170 25.97104 26.49163 
1 1 1   34    8   18 o  169.021   9.3144 11759.78  1273.38 13914.80  1820.97  9697.55  1781.34  182.993   12.327  151.869   14.627 31.12445 19.12852 
1 1 1   34    8   19 o  328.102   14.884 45206.57  3965.21 45747.86  4852.75 44119.12  6878.22  326.810   18.362  311.096   27.513 15.71332 33.07789 
1 1 1   34    8   20 o  254.856   20.258 28596.89  4157.40 48056.00  5558.73  3894.81  6262.98  329.939   20.857   99.046   42.735 230.8928 47.55278 
1 1 1   34    8   21 o  148.044   10.192  9167.09  1217.70  8205.00  1759.76 10051.01  1686.75  137.053   16.122  153.289   13.696 -16.23628 21.15392 
1 1 1   34    8   22 o   46.407   15.467  918.028  682.855  1327.65  835.338   92.949  1185.54   54.353   17.024   42.684   18.504 11.66858 25.14442 
1 1 1   34    8   23 o   32.797   14.081   69.973  673.470 -143.8221  799.631  591.737  1249.19   33.130   14.747   47.048   19.634 -13.91805 24.55591 
1 1 1   34   10    0 o  267.854   21.552 29426.67  4647.58   0.0000   0.0000 29426.67  4647.58  ?   ?   267.854   21.552 0.000000 21.55174 
1 1 1   34   10    1 o  536.770   26.776 117706.40 11670.18 116523.50 16584.74 118866.60 16424.66  530.906   38.740  536.436   37.954 -5.530334 54.23348 
1 1 1   34   10    2 o  1004.55   48.661 419092.69 39691.25 445283.19 56199.09 393027.00 56064.98  1022.61   68.072  957.383   72.664 65.22424 99.56857 
1 1 1   34   10    3 f  335.031   14.424 45675.26  3923.89 47927.80  7000.41 44643.32  4738.20  341.438   25.433  330.561   17.718 10.87726 30.99605 
1 1 1   34   10    4 f  850.283   32.302 297493.59 22301.06 348667.59 38822.16 272290.50 27244.74  909.037   52.825  808.915   41.621 100.1227 67.25159 
1 1 1   34   10    5 o  989.830   39.199 407060.19 31504.54 435335.81 54777.57 393084.19 38511.39  999.238   67.917  965.187   49.305 34.05115 83.92706 
1 1 1   34   10    6 o  700.132   23.956 200955.91 13618.33 204163.80 19270.54 197755.50 19247.94  702.334   33.792  691.022   34.305 11.31250 48.15290 
1 1 1   34   10    7 o  218.780   10.374 19470.37  1842.81 20482.05  2281.83 17573.10  3124.82  223.936   12.601  206.543   18.840 17.39285 22.66543 
1 1 1   34   10    8 o  237.719   8.8154 22977.44  1701.55 23285.32  2417.17 22675.00  2395.68  238.798   12.510  235.632   12.567 3.165741 17.73199 
1 1 1   34   10    9 o   79.605   7.9179  2601.61  504.995  3387.89  590.818  469.500  972.902   90.928   8.0867   45.419   17.910 45.50902 19.65062 
1 1 1   34   10   10 o  282.580   11.475 32520.97  2632.99 32639.33  3748.68 32405.74  3699.03  282.156   16.434  281.169   16.272 0.9869995 23.12675 
1 1 1   34   10   11 f  224.584   8.6511 20518.50  1577.57 19404.22  2250.56 21594.90  2211.99  217.770   12.784  229.889   11.891 -12.11888 17.45910 
1 1 1   34   10   12 o  607.399   21.312 151872.09 10510.96 151779.50 14916.19 151963.50 14813.81  602.118   30.611  602.624   30.373 -0.5059814 43.12183 
1 1 1   34   10   13 o  136.859   7.6022  7643.82  841.467  8147.74  1194.59  7147.56  1185.49  140.993   10.510  131.918   11.173 9.075455 15.33927 
1 1 1   34   10   14 o  264.914   10.842 28654.15  2332.23 28742.48  3334.78 28569.58  3262.94  264.072   15.622  263.347   15.326 0.7242432 21.88458 
1 1 1   34   10   15 o  125.204   7.7337  6414.29  782.368  5429.04  1112.76  7377.45  1100.22  114.438   12.162  133.948   10.192 -19.51070 15.86809 
1 1 1   34   10   16 o  202.585   9.4169 16795.42  1549.01 17238.59  2236.47 16386.81  2147.49  203.938   13.584  198.876   13.377 5.061600 19.06434 
1 1 1   34   10   17 o  140.927   8.6267  8159.76  982.387  8139.36  1413.57  8178.81  1366.24  139.825   12.586  140.294   12.112 -0.4690857 17.46736 
1 1 1   34   10   18 o   23.709   10.664 -204.5440  430.091  1024.77  590.953 -1589.0220  627.140   48.994   14.097   19.752   9.8375 29.24196 17.19007 
1 1 1   34   10   19 o  242.745   10.814 24392.10  2131.52 25234.08  3056.64 23595.08  2973.90  244.001   15.509  235.845   15.618 8.155960 22.01011 
1 1 1   34   10   20 o   49.560   14.114  1066.84  595.354  1538.68  634.099 -2444.0500  1729.69   59.334   13.470   38.040   18.392 21.29410 22.79691 
1 1 1   34   10   21 f   41.018   14.645  641.974  616.366  739.264  652.350 -167.6307  1881.84   43.192   15.099   50.819   22.622 -7.627346 27.19832 
1 1 1   34   10   22 o   58.515   14.228  1547.09  669.477  1882.30  826.903  909.302  1140.59   63.990   15.967   50.107   19.499 13.88379 25.20204 
1 1 1   34   10   23 o  107.481   11.362  5036.42  976.564  5518.80  1267.04  4330.52  1532.72  110.294   14.499   92.419   20.913 17.87561 25.44799 
1 1 1   34   12    0 o  107.997   15.293  4842.25  1303.56   0.0000   0.0000  4842.25  1303.56  ?   ?   107.997   15.293 0.000000 15.29301 
1 1 1   34   12    1 o  120.323   9.6146  5922.07  931.484   0.0000   0.0000  5922.07  931.484  ?   ?   120.323   9.6146 0.000000 9.614565 
1 1 1   34   12    2 o  333.672   14.020 45322.28  3798.45 50681.54  6815.94 42908.07  4574.68  351.135   24.051  323.961   17.456 27.17389 29.71805 
1 1 1   34   12    3 o  983.792   39.522 402166.09 31570.07 427005.81 54915.44 389904.41 38583.18  989.040   68.811  961.221   49.604 27.81848 84.82624 
1 1 1   34   12    4 o  673.363   27.448 186380.80 15007.29 177393.20 26218.47 190760.41 18302.04  645.841   50.396  679.297   33.182 -33.45538 60.33887 
1 1 1   34   12    5 o  288.641   16.494 34096.66  3849.50 29396.18  5694.24 38053.04  5224.12  266.120   26.713  304.205   21.284 -38.08548 34.15533 
1 1 1   34   12    6 f  587.968   23.268 141774.50 11108.19 145543.70 19498.13 139963.41 13516.09  588.219   41.082  582.717   28.566 5.501160 50.03767 
1 1 1   34   12    7 o  625.896   25.227 161068.00 12820.42 157107.70 22495.14 162973.20 15602.31  607.871   45.915  627.724   30.611 -19.85248 55.18367 
1 1 1   34   12    8 o  530.097   21.034 115178.00  9053.55 117820.20 12820.18 112549.40 12787.20  532.834   29.751  520.498   30.389 12.33612 42.52747 
1 1 1   34   12    9 o  327.727   16.527 43998.18  4383.85 46870.85  5362.00 38206.95  7613.25  337.672   19.641  301.688   31.546 35.98376 37.16096 
1 1 1   34   12   10 o  122.830   6.6407  6150.19  659.837  5354.37  890.376  7119.69  982.749  114.293   9.6854  131.957   9.2303 -17.66424 13.37932 
1 1 1   34   12   11 o  627.125   21.822 161933.30 11111.88 157565.80 15751.78 166259.80 15677.62  613.093   31.751  631.200   30.590 -18.10638 44.08909 
1 1 1   34   12   12 o  382.534   12.793 59743.19  3973.48 56891.54  5657.91 62518.39  5581.56  371.628   18.812  390.341   17.611 -18.71390 25.76838 
1 1 1   34   12   13 o  503.520   17.913 104354.80  7323.51 105335.20 10413.09 103395.20 10301.82  501.699   25.648  497.068   25.612 4.631348 36.24604 
1 1 1   34   12   14 o  289.252   11.084 34215.70  2603.25 33003.08  3725.91 35372.25  3638.74  282.439   16.316  292.739   15.362 -10.29956 22.41020 
1 1 1   34   12   15 o   49.452   10.507  1039.14  408.869  480.366  533.564  1834.03  636.387   37.500   13.596   65.768   12.371 -28.26839 18.38188 
1 1 1   34   12   16 o  143.344   8.3520  8428.75  967.886  7721.82  1368.07  9137.18  1369.53  136.294   12.501  148.618   11.437 -12.32396 16.94374 
1 1 1   34   12   17 o   17.547   8.2840 -351.1650  308.950 -181.3768  382.628 -669.2222  523.691   22.405   10.070   22.169   10.559 0.2365074 14.59084 
1 1 1   34   12   18 o  125.204   9.0613  6474.97  914.965  5964.79  1206.84  7164.64  1403.15  119.163   12.667  130.454   13.439 -11.29159 18.46796 
1 1 1   34   12   19 o   55.046   12.410  1312.76  541.414  1680.06  621.010  149.128  1105.34   62.351   12.698   42.999   18.237 19.35241 22.22190 
1 1 1   34   12   20 o  153.997   9.4857  9864.38  1180.33  9551.31  1589.07 10249.69  1762.90  149.866   13.193  154.748   14.188 -4.881287 19.37437 
1 1 1   34   12   21 o  112.951   9.7616  5365.91  886.461  5426.10  1129.99  5269.60  1429.43  112.318   12.608  108.428   16.778 3.890366 20.98738 
1 1 1   34   12   22 f  204.091   14.208 18381.77  2339.84 18112.36  2844.69 18945.30  4114.23  198.080   17.880  187.933   27.801 10.14655 33.05387 
1 1 1   34   14    0 o  426.581   31.180 75475.95 10724.93   0.0000   0.0000 75475.95 10724.93  ?   ?   426.581   31.180 0.000000 31.17986 
1 1 1   34   14    1 o  616.205   44.567 160184.09 22148.15   0.0000   0.0000 160184.09 22148.15  ?   ?   616.205   44.567 0.000000 44.56701 
1 1 1   34   14    2 o  166.783   8.7398 11339.42  1179.44   0.0000   0.0000 11339.42  1179.44  ?   ?   166.783   8.7398 0.000000 8.739778 
1 1 1   34   14    3 o  313.562   14.310 40067.38  3643.33 30161.42  7459.87 43170.34  4175.15  267.390   35.216  325.344   15.805 -57.95334 38.60027 
1 1 1   34   14    4 o  137.673   9.0927  7740.52  1010.71  4911.16  2043.23  8657.12  1162.96  107.320   24.044  145.556   9.8988 -38.23598 26.00191 
1 1 1   34   14    5 o  269.876   12.928 29666.94  2832.97 25237.58  5193.73 31542.94  3380.08  246.287   26.382  277.714   15.046 -31.42737 30.37099 
1 1 1   34   14    6 o  438.132   17.954 78458.64  6387.12 81847.35 11364.62 76894.07  7722.07  443.269   31.786  432.457   22.065 10.81161 38.69411 
1 1 1   34   14    7 f  288.512   12.643 33914.92  2961.88 36467.26  5473.19 32857.90  3522.20  297.121   22.862  283.328   15.368 13.79251 27.54720 
1 1 1   34   14    8 f  349.251   16.109 49833.98  4568.29 38855.36  8257.64 54675.90  5483.92  303.344   34.118  364.989   18.566 -61.64496 38.84229 
1 1 1   34   14    9 o  161.318   30.587 11163.23  3859.78 10920.34  5677.78 11371.93  5262.89  157.512   43.129  160.837   40.364 -3.324295 59.07098 
1 1 1   34   14   10 o  427.949   18.227 75086.95  6333.54 72813.04 11372.52 76109.30  7625.54  415.154   34.037  429.373   21.946 -14.21930 40.49818 
1 1 1   34   14   11 o  418.159   15.145 71537.80  5142.26 67958.02  7302.86 75058.20  7242.02  405.174   22.284  426.847   20.895 -21.67258 30.54789 
1 1 1   34   14   12 o  163.551   10.312 10949.44  1362.39  9907.17  2757.21 11286.11  1567.05  153.010   22.897  165.861   11.711 -12.85086 25.71776 
1 1 1   34   14   13 o  287.325   11.407 33753.11  2661.18 33371.65  3785.81 34125.71  3741.54  284.159   16.479  287.479   16.094 -3.319244 23.03384 
1 1 1   34   14   14 o   79.834   8.1288  2626.66  519.574  3923.84  661.992  545.653  838.472   97.698   8.4275   43.802   16.807 53.89609 18.80125 
1 1 1   34   14   15 o  109.456   7.6788  4914.64  678.131  3966.56  894.937  6193.00  1039.19   97.585   11.516  122.426   10.557 -24.84141 15.62321 
1 1 1   34   14   16 o  278.290   10.584 31845.43  2391.50 34186.47  3468.81 29724.71  3301.56  286.162   14.981  266.618   15.315 19.54395 21.42394 
1 1 1   34   14   17 o  106.550   8.3717  4681.69  718.446  3967.24  896.922  5960.79  1200.11   97.306   11.579  119.252   12.584 -21.94521 17.10112 
1 1 1   34   14   18 o   35.879   11.457  524.622  376.757  558.992  419.226  380.305  859.056   37.208   12.106   41.398   16.660 -4.190113 20.59396 
1 1 1   34   14   19 o   69.590   9.1934  2033.29  506.758  2492.90  578.051  507.186  1053.33   77.111   9.4288   45.756   18.436 31.35451 20.70741 
1 1 1   34   14   20 o  124.074   9.2369  6423.70  923.896  7070.96  1162.87  5315.78  1521.40  129.417   11.176  108.872   17.828 20.54497 21.04105 
1 1 1   34   14   21 o   97.984   9.8281  4065.58  771.382  4288.13  918.387  3532.49  1421.40   99.901   11.534   85.616   20.679 14.28455 23.67821 
1 1 1   34   14   22 o   93.001   10.936  3751.15  810.047  3315.98  934.556  5065.71  1624.30   85.742   13.900  101.054   20.497 -15.31158 24.76529 
1 1 1   34   16    0 f  567.407   28.919 133251.50 13279.11   0.0000   0.0000 133251.50 13279.11  ?   ?   567.407   28.919 0.000000 28.91870 
1 1 1   34   16    1 o  256.177   15.355 26865.25  3179.26   0.0000   0.0000 26865.25  3179.26  ?   ?   256.177   15.355 0.000000 15.35520 
1 1 1   34   16    2 o  491.446   20.661 98908.22  8244.42 98273.06 14382.16 99219.08 10061.67  484.031   36.872  490.520   25.349 -6.488159 44.74468 
1 1 1   34   16    3 o  384.837   14.389 60385.93  4496.08 58654.66  9250.68 60921.39  5144.60  375.269   30.626  386.291   16.402 -11.02243 34.74198 
1 1 1   34   16    4 o  482.026   19.832 95130.05  7761.85 97031.08 13820.66 94254.20  9381.01  481.126   35.631  478.221   24.238 2.904816 43.09389 
1 1 1   34   16    5 o  559.295   22.343 128427.10 10146.71 131860.09 17938.37 126812.00 12304.26  558.742   39.800  554.234   27.342 4.508667 48.28651 
1 1 1   34   16    6 o  194.059   7.8961 15311.74  1244.18 19332.06  1945.25 12528.46  1618.54  217.620   11.045  175.023   11.452 42.59641 15.91053 
1 1 1   34   16    7 o  248.575   11.742 25174.42  2369.91 26168.57  4524.99 24798.64  2781.97  251.309   22.411  246.141   13.977 5.167999 26.41211 
1 1 1   34   16    8 o   82.372   13.577  2840.91  876.453  3266.38  1452.32  2597.19  1099.17   87.446   20.764   78.110   17.736 9.335983 27.30736 
1 1 1   34   16    9 o  251.568   12.965 25892.88  2639.32 19938.62  5056.40 28122.71  3094.31  216.928   29.470  261.939   14.607 -45.01164 32.89129 
1 1 1   34   16   10 o  175.720   10.264 12623.55  1458.05 17500.95  3068.38 11201.03  1657.08  205.602   18.581  165.203   12.445 40.39877 22.36330 
1 1 1   34   16   11 o  186.876   10.452 14285.06  1579.60 16939.70  3211.47 13437.87  1814.23  201.724   19.865  180.946   12.424 20.77843 23.42959 
1 1 1   34   16   12 o  115.290   10.484  5471.40  970.676  5478.86  2294.23  5469.77  1071.29  112.110   25.746  115.091   11.623 -2.981255 28.24806 
1 1 1   34   16   13 o  167.574   11.041 11547.23  1493.92 16115.37  3705.30 10660.49  1632.49  194.023   24.034  160.665   12.615 33.35831 27.14368 
1 1 1   34   16   14 o  171.099   11.203 12069.58  1547.76 16316.55  3916.95 11283.76  1684.88  193.473   25.560  165.056   12.668 28.41652 28.52699 
1 1 1   34   16   15 o   79.433   8.0189  2605.30  510.115  3231.33  622.360  1323.77  890.454   88.417   8.7853   56.241   17.571 32.17649 19.64455 
1 1 1   34   16   16 o  127.957   7.8609  6725.75  812.768  6619.92  1085.66  6860.70  1225.93  126.320   10.685  128.288   11.905 -1.968071 15.99668 
1 1 1   34   16   17 o  415.649   15.746 72877.37  5314.02 76827.98  7641.54 69177.70  7394.85  418.069   22.595  395.980   23.100 22.08917 32.31298 
1 1 1   34   16   18 o   81.801   8.8591  2788.17  579.018  3023.24  685.421  2202.40  1081.99   84.893   10.145   70.090   18.675 14.80349 21.25276 
1 1 1   34   16   19 o  125.515   9.0196  6551.75  913.091  6873.52  1170.41  6051.38  1459.55  127.685   11.409  117.848   15.639 9.836777 19.35879 
1 1 1   34   16   20 o  147.698   10.158  9177.82  1210.81 10668.38  1619.90  7290.77  1822.66  157.744   12.756  126.759   18.233 30.98441 22.25280 
1 1 1   34   16   21 o   99.937   9.5123  4239.11  762.568  3965.29  892.596  4978.95  1467.22   95.556   11.752  102.962   18.217 -7.405586 21.67843 
1 1 1   34   18    0 o  400.119   21.279 65866.02  6888.33   0.0000   0.0000 65866.02  6888.33  ?   ?   400.119   21.279 0.000000 21.27897 
1 1 1   34   18    1 o  422.560   22.411 73542.59  7661.91   0.0000   0.0000 73542.59  7661.91  ?   ?   422.560   22.411 0.000000 22.41122 
1 1 1   34   18    2 o  362.119   16.423 53576.60  4828.68 52584.66  8504.60 54048.50  5865.85  355.016   29.778  362.619   20.000 -7.602966 35.87098 
1 1 1   34   18    3 o  330.393   15.536 44576.23  4167.76 36423.47  8681.63 47017.86  4751.03  292.483   37.414  338.647   17.336 -46.16382 41.23523 
1 1 1   34   18    4 o  444.567   14.876 80684.07  5369.74 89586.09 11030.19 77919.03  6147.38  463.858   29.438  436.449   17.347 27.40872 34.16920 
1 1 1   34   18    5 o  622.946   24.307 159995.41 12294.58 169913.00 21776.10 155354.80 14895.83  630.686   42.776  611.399   30.006 19.28705 52.25086 
1 1 1   34   18    6 o  281.369   12.823 32288.46  2929.66 32197.14  5554.58 32323.65  3448.29  278.179   24.853  280.864   15.177 -2.684845 29.12103 
1 1 1   34   18    7 o  388.800   21.356 62386.72  6716.02 61872.51  9758.08 62849.54  9257.45  383.512   31.618  387.351   29.659 -3.838776 43.35184 
1 1 1   34   18    8 o  335.965   14.822 46150.52  4043.33 45975.11  7563.92 46220.71  4784.25  331.095   28.411  335.280   17.636 -4.184784 33.43948 
1 1 1   34   18    9 o  121.488   9.5617  6048.79  935.588 11017.03  2103.34  4823.32  1044.62  163.202   16.081  108.046   12.116 55.15689 20.13481 
1 1 1   34   18   10 o  396.222   16.598 64487.35  5339.78 70709.00  9897.89 61933.19  6341.82  408.541   30.049  386.692   20.269 21.84903 36.24573 
1 1 1   34   18   11 o  361.123   15.820 53664.26  4638.79 55327.97  8688.21 53000.88  5486.21  359.380   30.050  357.362   18.975 2.018005 35.53936 
1 1 1   34   18   12 o  335.320   15.104 46390.29  4112.48 53065.86  7998.70 43991.57  4794.74  350.705   28.331  324.870   18.251 25.83502 33.70075 
1 1 1   34   18   13 o  127.015   11.435  6678.17  1166.63  7583.90  3247.88  6544.00  1250.05  128.748   31.359  125.503   12.430 3.244843 33.73299 
1 1 1   34   18   14 f   67.567   15.200  1971.47  813.734  6773.97  3239.19  1647.97  840.694  120.346   32.421   61.734   16.468 58.61175 36.36325 
1 1 1   34   18   15 o  108.101   12.392  4896.54  1068.09  8300.96  3265.77  4488.77  1130.25  132.893   30.857  103.036   13.861 29.85696 33.82777 
1 1 1   34   18   16 o   41.061   16.501  371.083  841.370 -1411.1610  3003.00  522.905  876.474   59.458   27.297   43.625   17.061 15.83267 32.18964 
1 1 1   34   18   17 o  179.665   12.486 13536.94  1810.18 19656.40  4857.91 12550.25  1950.67  202.377   30.511  172.222   14.072 30.15462 33.59989 
1 1 1   34   18   18 o  126.909   14.247  6908.26  1442.71  9446.47  5264.28  6702.14  1500.14  124.189   42.921  124.556   15.145 -0.3668442 45.51478 
1 1 1   34   18   19 o   25.975   12.779 -1850.1541  945.643  240.367  4081.60 -1968.7340  972.093   70.784   32.241   26.039   12.839 44.74491 34.70309 
1 1 1   34   18   20 o   71.340   21.469  2494.48  1345.28   0.0000   0.0000  2494.48  1345.28  ?   ?    71.340   21.469 0.000000 21.46932 
1 1 1   34   18   21 o  102.052   21.252  5269.36  1703.75   0.0000   0.0000  5269.36  1703.75  ?   ?   102.052   21.252 0.000000 21.25160 
1 1 1   34   20    0 o  181.319   13.930 13497.21  2035.22   0.0000   0.0000 13497.21  2035.22  ?   ?   181.319   13.930 0.000000 13.93032 
1 1 1   34   20    1 o  233.945   15.402 22460.92  2909.33   0.0000   0.0000 22460.92  2909.33  ?   ?   233.945   15.402 0.000000 15.40201 
1 1 1   34   20    2 o  312.161   18.307 40066.38  4619.76   0.0000   0.0000 40066.38  4619.76  ?   ?   312.161   18.307 0.000000 18.30654 
1 1 1   34   20    3 o  391.106   17.794 62666.29  5650.75 58576.99  9934.35 64622.15  6870.46  372.662   33.178  395.796   21.459 -23.13339 39.51284 
1 1 1   34   20    4 o  273.700   11.762 30538.10  2613.91 27016.17  5640.64 31501.25  2949.76  253.639   27.847  277.849   13.075 -24.20941 30.76383 
1 1 1   34   20    5 o  138.536   10.013  7856.38  1118.75  5768.46  2544.92  8356.52  1245.55  115.594   27.512  142.803   10.822 -27.20934 29.56390 
1 1 1   34   20    6 o  208.744   15.278 17919.54  2571.61 17550.57  3958.75 18188.92  3382.47  204.583   24.307  209.341   20.148 -4.758484 31.57198 
1 1 1   34   20    7 o  117.020   9.7251  5616.29  915.679  7156.64  2174.49  5284.27  1009.55  130.108   21.322  113.301   11.117 16.80656 24.04617 
1 1 1   34   20    8 o   82.577   10.749  2827.38  703.644  4249.88  2060.50  2639.59  748.650   99.176   25.458   79.537   11.963 19.63950 28.12873 
1 1 1   34   20    9 o  126.917   10.432  6616.90  1065.57  6131.22  2685.35  6707.66  1160.87  118.396   28.315  127.659   11.317 -9.262932 30.49302 
1 1 1   34   20   10 o  396.749   17.127 65022.52  5517.27 74512.67 10504.13 61406.82  6483.66  415.428   31.372  383.428   20.905 31.99939 37.69874 
1 1 1   34   20   11 o  207.574   12.157 17746.53  2039.96 18909.00  4738.24 17482.03  2260.16  207.769   28.866  205.643   13.613 2.126480 31.91517 
1 1 1   34   20   12 o   86.114   12.914  3121.49  875.147  3859.12  3142.72  3059.48  911.188   95.430   33.153   85.066   13.654 10.36328 35.85442 
1 1 1   34   20   13 o  211.332   12.364 18495.01  2112.39 21710.48  5092.15 17826.66  2321.57  219.796   29.260  206.931   13.898 12.86523 32.39254 
1 1 1   34   20   14 o  205.773   12.688 17608.48  2109.60 18143.36  5204.63 17503.32  2307.66  195.684   33.990  204.643   13.971 -8.959488 36.74916 
1 1 1   34   20   15 o  140.308   12.475  8239.52  1406.40 10452.07  3861.18  7901.07  1510.14  146.527   33.220  136.930   13.769 9.597137 35.96029 
1 1 1   34   20   16 o  132.525   13.436  7428.11  1425.80 14157.15  5024.19  6838.72  1486.94  164.067   38.395  126.593   14.742 37.47382 41.12756 
1 1 1   34   20   17 f   98.779   15.417  4247.25  1196.11 11479.25  5180.96  3840.09  1229.32  139.192   42.187   93.233   16.860 45.95903 45.43145 
1 1 1   34   20   18 o   46.128   18.264  625.037  1015.61 -3766.8250  4410.13  870.995  1043.66   61.279   29.564   49.515   18.809 11.76400 35.04042 
1 1 1   34   20   19 o  107.375   17.869  5289.63  1503.13   0.0000   0.0000  5289.63  1503.13  ?   ?   107.375   17.869 0.000000 17.86866 
1 1 1   34   20   20 o   54.220   21.089  1222.11  1333.74   0.0000   0.0000  1222.11  1333.74  ?   ?    54.220   21.089 0.000000 21.08930 
1 1 1   34   22    0 o  355.735   20.327 52250.40  5847.01   0.0000   0.0000 52250.40  5847.01  ?   ?   355.735   20.327 0.000000 20.32704 
1 1 1   34   22    1 o  225.577   15.879 20933.17  2889.92   0.0000   0.0000 20933.17  2889.92  ?   ?   225.577   15.879 0.000000 15.87940 
1 1 1   34   22    2 o   97.664   16.118  4006.98  1233.53   0.0000   0.0000  4006.98  1233.53  ?   ?    97.664   16.118 0.000000 16.11756 
1 1 1   34   22    3 o  184.034   13.029 13898.85  1934.32 12915.04  3528.12 14321.66  2312.92  174.659   25.641  186.433   15.417 -11.77420 29.91949 
1 1 1   34   22    4 o  257.021   14.596 27108.93  3033.61 27613.40  5424.45 26879.34  3659.36  256.351   26.440  255.272   17.766 1.079025 31.85420 
1 1 1   34   22    5 o  243.335   10.153 24133.25  2006.03 29748.13  4647.75 22847.78  2223.84  267.513   21.581  236.628   11.574 30.88556 24.48888 
1 1 1   34   22    6 o  283.141   13.640 32798.38  3135.92 30676.91  6243.29 33514.20  3626.59  268.816   29.066  285.439   15.708 -16.62286 33.03924 
1 1 1   34   22    7 o  243.010   12.820 24226.04  2520.63 21058.66  5158.93 25219.29  2888.95  221.597   29.398  247.616   14.431 -26.01900 32.74879 
1 1 1   34   22    8 o   52.232   13.513  1160.70  577.437  3683.66  2820.93  1050.36  589.929   94.417   31.436   49.899   13.994 44.51746 34.40965 
1 1 1   34   22    9 o   67.639   13.188  1942.58  698.288  150.362  2504.72  2093.61  727.117   63.847   27.276   70.274   13.228 -6.427494 30.31450 
1 1 1   34   22   10 o  165.811   10.851 11319.12  1452.89 13159.55  3771.62 10998.42  1574.39  172.742   27.836  163.191   11.965 9.551514 30.29857 
1 1 1   34   22   11 f  231.552   13.051 22202.60  2443.74 25223.58  5781.27 21545.41  2696.48  236.937   30.777  227.501   14.676 9.436142 34.09726 
1 1 1   34   22   12 o  141.729   11.860  8341.80  1352.35  9508.48  3824.22  8175.05  1445.76  141.626   33.737  140.021   12.860 1.604797 36.10486 
1 1 1   34   22   13 o  145.117   11.982  8768.52  1399.26  9055.15  4019.65  8729.00  1492.61  135.607   35.931  144.518   12.854 -8.910767 38.16090 
1 1 1   34   22   14 o  136.876   13.189  7875.92  1447.69 -212.4841  4271.29  8925.69  1538.78   75.677   33.856  145.802   13.139 -70.12433 36.31590 
1 1 1   34   22   15 o   38.371   15.926  204.957  815.539 -800.4019  4248.57  243.419  830.992   72.084   32.856   39.124   16.144 32.96008 36.60838 
1 1 1   34   22   16 o  114.929   14.923  5699.08  1359.70  9329.45  5213.53  5434.13  1408.44  124.476   42.731  111.713   15.983 12.76266 45.62255 
1 1 1   34   22   17 o  118.068   19.915  6369.15  1841.24   0.0000   0.0000  6369.15  1841.24  ?   ?   118.068   19.915 0.000000 19.91473 
1 1 1   34   22   18 o   43.519   18.345  312.092  1107.70   0.0000   0.0000  312.092  1107.70  ?   ?    43.519   18.345 0.000000 18.34543 
1 1 1   34   22   19 o  117.116   17.738  6409.52  1634.02   0.0000   0.0000  6409.52  1634.02  ?   ?   117.116   17.738 0.000000 17.73845 
1 1 1   34   24    0 o  468.608   25.778 91868.48  9770.55   0.0000   0.0000 91868.48  9770.55  ?   ?   468.608   25.778 0.000000 25.77769 
1 1 1   34   24    1 o  186.022   15.961 14299.12  2387.42   0.0000   0.0000 14299.12  2387.42  ?   ?   186.022   15.961 0.000000 15.96072 
1 1 1   34   24    2 o  237.725   17.498 23364.22  3353.83   0.0000   0.0000 23364.22  3353.83  ?   ?   237.725   17.498 0.000000 17.49815 
1 1 1   34   24    3 o  279.521   15.543 32157.89  3513.77 35400.34  6489.67 30813.10  4179.39  289.070   28.000  272.679   18.995 16.39050 33.83524 
1 1 1   34   24    4 o  186.223   13.955 14287.43  2094.82 13847.22  3915.75 14463.93  2479.46  179.544   27.755  186.837   16.514 -7.292526 32.29646 
1 1 1   34   24    5 o  117.101   7.8632  5610.17  743.311  7378.56  2675.23  5462.23  773.779  130.344   26.186  115.487   8.3072 14.85704 27.47239 
1 1 1   34   24    6 o  245.374   10.194 24597.66  2031.09 40897.63  5220.98 21690.90  2204.77  312.734   20.677  229.870   11.853 82.86418 23.83368 
1 1 1   34   24    7 o  279.146   13.151 32024.19  2980.86 37874.96  6475.17 30450.84  3357.82  296.702   27.180  271.210   15.311 25.49194 31.19544 
1 1 1   34   24    8 o   88.857   10.870  3283.72  767.901  7391.13  3524.86  3079.07  786.799  126.766   33.675   85.861   11.581 40.90535 35.61065 
1 1 1   34   24    9 o  295.367   13.551 36046.50  3250.00 52584.57  7223.36 31848.83  3639.16  348.168   25.734  276.121   16.304 72.04651 30.46370 
1 1 1   34   24   10 f  387.310   18.202 63113.14  5724.26 68101.40 11463.44 61456.16  6606.94  380.097   37.638  379.014   21.558 1.082916 43.37479 
1 1 1   34   24   11 o  245.910   13.259 25155.48  2637.71 34672.25  6532.94 23301.91  2883.16  276.534   29.553  235.790   15.139 40.74326 33.20499 
1 1 1   34   24   12 o  109.735   13.485  5083.44  1176.26  6949.94  4611.12  4953.53  1216.50  117.370   40.190  108.079   14.206 9.290932 42.62710 
1 1 1   34   24   13 o  273.018   14.448 31364.12  3191.55 37504.04  7911.25 30170.63  3487.98  275.058   36.310  266.568   16.192 8.489288 39.75692 
1 1 1   34   24   14 o  163.027   13.585 11233.59  1781.89  8735.31  6000.19 11475.23  1866.07  121.917   45.356  164.531   14.105 -42.61390 47.49874 
1 1 1   34   24   15 o   51.476   18.772  1007.27  1019.32 -1478.1980  5320.94  1101.95  1038.55   75.051   35.098   52.959   18.999 22.09163 39.91029 
1 1 1   34   24   16 o   47.121   18.856  622.416  1093.62   0.0000   0.0000  622.416  1093.62  ?   ?    47.121   18.856 0.000000 18.85610 
1 1 1   34   24   17 o   49.626   19.274  869.132  1112.70   0.0000   0.0000  869.132  1112.70  ?   ?    49.626   19.274 0.000000 19.27381 
1 1 1   34   24   18 o   26.978   13.112 -1387.3040  909.362   0.0000   0.0000 -1387.3040  909.362  ?   ?    26.978   13.112 0.000000 13.11190 
1 1 1   34   26    0 o  251.529   18.106 26315.91  3673.16   0.0000   0.0000 26315.91  3673.16  ?   ?   251.529   18.106 0.000000 18.10625 
1 1 1   34   26    1 o  308.410   20.069 39716.84  4998.35   0.0000   0.0000 39716.84  4998.35  ?   ?   308.410   20.069 0.000000 20.06925 
1 1 1   34   26    2 o  150.696   17.414  9514.46  2091.51   0.0000   0.0000  9514.46  2091.51  ?   ?   150.696   17.414 0.000000 17.41374 
1 1 1   34   26    3 o  352.876   22.439 52474.83  6395.80   0.0000   0.0000 52474.83  6395.80  ?   ?   352.876   22.439 0.000000 22.43865 
1 1 1   34   26    4 o  309.295   17.275 39814.05  4321.03 47862.95  8211.44 36731.72  5081.49  330.650   30.945  295.141   21.348 35.50940 37.59459 
1 1 1   34   26    5 o   84.576   8.1986  2947.05  555.957  9329.87  2882.98  2700.52  566.592  146.056   25.222   80.837   8.7730 65.21918 26.70397 
1 1 1   34   26    6 o  218.265   13.607 19740.19  2399.43 12517.56  6304.91 20963.40  2594.67  157.837   46.229  224.717   14.295 -66.88037 48.38842 
1 1 1   34   26    7 o  177.807   11.249 13050.22  1615.70 14236.66  4961.56 12909.48  1708.85  173.587   36.366  176.646   11.985 -3.059082 38.29010 
1 1 1   34   26    8 o  112.625   10.704  5260.87  967.067  6113.43  4421.33  5218.03  991.065  114.090   39.340  112.089   11.032 2.000526 40.85808 
1 1 1   34   26    9 o   60.454   13.201  1572.30  629.821  3779.51  4147.20  1520.20  637.212   96.927   37.331   59.382   13.519 37.54472 39.70335 
1 1 1   34   26   10 o   32.383   13.442  121.611  581.039   28.598  4192.33  123.433  586.702   76.804   33.998   32.545   13.508 44.25866 36.58323 
1 1 1   34   26   11 o  231.314   13.031 22359.24  2437.50 23227.97  6441.45 22214.06  2633.31  214.598   38.376  229.966   14.172 -15.36768 40.90923 
1 1 1   34   26   12 o  183.483   12.764 14120.58  1889.72 20009.19  6392.69 13556.74  1978.13  192.197   42.126  179.336   13.688 12.86049 44.29419 
1 1 1   34   26   13 o   85.828   15.687  3222.88  1052.90  5768.07  4771.03  3092.57  1079.51  104.561   40.098   83.753   16.461 20.80840 43.34496 
1 1 1   34   26   14 o   91.008   15.855  3646.20  1129.07 15176.74  5278.75  3093.40  1155.82  162.324   40.249   82.923   17.705 79.40003 43.97126 
1 1 1   34   26   15 o  119.135   17.181  6336.34  1613.91   0.0000   0.0000  6336.34  1613.91  ?   ?   119.135   17.181 0.000000 17.18073 
1 1 1   34   26   16 o   98.331   18.988  4520.21  1461.17   0.0000   0.0000  4520.21  1461.17  ?   ?    98.331   18.988 0.000000 18.98847 
1 1 1   34   26   17 o   45.229   19.198  412.209  1226.56   0.0000   0.0000  412.209  1226.56  ?   ?    45.229   19.198 0.000000 19.19832 
1 1 1   34   28    0 o   84.900   20.411  3158.21  1389.73   0.0000   0.0000  3158.21  1389.73  ?   ?    84.900   20.411 0.000000 20.41127 
1 1 1   34   28    1 o  122.680   18.695  6444.12  1803.41   0.0000   0.0000  6444.12  1803.41  ?   ?   122.680   18.695 0.000000 18.69537 
1 1 1   34   28    2 o  261.909   19.962 29096.96  4213.15   0.0000   0.0000 29096.96  4213.15  ?   ?   261.909   19.962 0.000000 19.96184 
1 1 1   34   28    3 o   55.621   21.202  969.106  1328.90   0.0000   0.0000  969.106  1328.90  ?   ?    55.621   21.202 0.000000 21.20178 
1 1 1   34   28    4 f   52.750   20.835  723.765  1318.76  8560.80  3248.10 -823.1085  1443.05  136.407   30.130   41.965   19.136 94.44212 35.69319 
1 1 1   34   28    5 o  139.983   22.020  8565.22  2420.20 10222.56  4862.92  8019.56  2790.31  143.148   40.190  133.242   26.721 9.906525 48.26206 
1 1 1   34   28    6 o  154.911   9.4696  9885.65  1185.39 18686.06  4931.57  9346.02  1221.19  201.306   31.179  150.468   10.053 50.83762 32.75982 
1 1 1   34   28    7 o   20.865   9.1413 -68.4902  295.901  4069.59  4047.02 -90.7308  296.694   97.853   37.071   20.530   9.0682 77.32308 38.16406 
1 1 1   34   28    8 o  147.276   11.112  9010.63  1318.97 10586.84  4764.00  8879.78  1372.63  143.183   39.631  146.025   11.674 -2.841110 41.31433 
1 1 1   34   28    9 o  185.790   12.422 14414.09  1863.08 17280.19  5987.59 14106.85  1960.40  180.717   41.659  183.443   13.251 -2.725235 43.71531 
1 1 1   34   28   10 o   37.683   13.801  490.709  551.791 -3984.3730  5286.67  539.997  554.822   70.373   33.526   38.654   13.885 31.71944 36.28699 
1 1 1   34   28   11 o   76.177   15.289  2541.23  912.776  3755.91  4952.55  2498.52  928.685   94.559   39.247   75.397   15.681 19.16198 42.26373 
1 1 1   34   28   12 o   60.511   16.656  1629.91  844.161  1993.02  5180.98  1620.00  855.595   85.837   37.906   60.331   16.829 25.50685 41.47380 
1 1 1   34   28   13 o   68.845   18.317  2164.98  1041.83  2669.50  5657.99  2147.27  1059.95   87.575   39.087   68.511   18.583 19.06377 43.27994 
1 1 1   34   28   14 o  182.110   15.141 14493.47  2218.55   0.0000   0.0000 14493.47  2218.55  ?   ?   182.110   15.141 0.000000 15.14092 
1 1 1   34   28   15 o   45.119   18.714  479.946  1124.86   0.0000   0.0000  479.946  1124.86  ?   ?    45.119   18.714 0.000000 18.71380 
1 1 1   34   28   16 o  114.555   18.548  6264.21  1666.29   0.0000   0.0000  6264.21  1666.29  ?   ?   114.555   18.548 0.000000 18.54835 
1 1 1   34   30    0 o  126.530   21.017  7032.68  2083.50   0.0000   0.0000  7032.68  2083.50  ?   ?   126.530   21.017 0.000000 21.01717 
1 1 1   34   30    1 o  113.631   23.090  5783.53  2057.78   0.0000   0.0000  5783.53  2057.78  ?   ?   113.631   23.090 0.000000 23.09028 
1 1 1   34   30    2 f  184.889   19.906 14763.45  2941.24   0.0000   0.0000 14763.45  2941.24  ?   ?   184.889   19.906 0.000000 19.90587 
1 1 1   34   30    3 o  112.969   24.298  5783.14  2162.62   0.0000   0.0000  5783.14  2162.62  ?   ?   112.969   24.298 0.000000 24.29811 
1 1 1   34   30    4 o  202.883   23.299 18195.21  3768.57   0.0000   0.0000 18195.21  3768.57  ?   ?   202.883   23.299 0.000000 23.29943 
1 1 1   34   30    5 o   67.939   25.822  1657.05  1967.66 10576.62  5068.06   73.901  2135.16  140.923   41.496   57.280   24.833 83.64264 48.35909 
1 1 1   34   30    6 o   37.822   10.976  604.402  356.868   0.0000   0.0000  604.402  356.868  ?   ?    37.822   10.976 0.000000 10.97567 
1 1 1   34   30    7 o   62.359   10.396  1648.59  507.875 -11065.7695  5366.46  1763.50  510.165   57.450   28.639   64.628   10.048 -7.177216 30.35107 
1 1 1   34   30    8 o   94.833   10.833  3775.35  819.185  4379.89  5845.53  3763.24  827.349  100.716   42.283   94.639   10.970 6.077728 43.68333 
1 1 1   34   30    9 o  135.618   11.201  7704.94  1222.41 11975.26  5728.98  7501.25  1251.22  140.665   44.652  133.635   11.648 7.029709 46.14640 
1 1 1   34   30   10 o   34.558   13.918  259.781  599.960 -8800.3682  6881.00  329.186  602.254   68.857   33.990   35.671   14.083 33.18518 36.79212 
1 1 1   34   30   11 o  131.517   12.900  7380.56  1359.78 11934.28  6908.70  7197.05  1386.91  126.708   48.332  129.628   13.369 -2.919907 50.14663 
1 1 1   34   30   12 o  137.461   13.998  8182.31  1540.59   0.0000   0.0000  8182.31  1540.59  ?   ?   137.461   13.998 0.000000 13.99826 
1 1 1   34   30   13 o   67.542   19.090  2156.52  1093.40   0.0000   0.0000  2156.52  1093.40  ?   ?    67.542   19.090 0.000000 19.09016 
1 1 1   34   30   14 o   76.338   19.883  2855.47  1244.69   0.0000   0.0000  2855.47  1244.69  ?   ?    76.338   19.883 0.000000 19.88319 
1 1 1   34   30   15 o   77.577   21.546  3139.88  1405.54   0.0000   0.0000  3139.88  1405.54  ?   ?    77.577   21.546 0.000000 21.54552 
1 1 1   34   32    0 o  132.235   23.573  7965.56  2438.26   0.0000   0.0000  7965.56  2438.26  ?   ?   132.235   23.573 0.000000 23.57331 
1 1 1   34   32    1 o  267.835   23.589 32171.23  5077.65   0.0000   0.0000 32171.23  5077.65  ?   ?   267.835   23.589 0.000000 23.58915 
1 1 1   34   32    2 o   90.552   29.522  3883.31  2492.78   0.0000   0.0000  3883.31  2492.78  ?   ?    90.552   29.522 0.000000 29.52206 
1 1 1   34   32    3 o   67.405   26.323  1577.52  2084.23   0.0000   0.0000  1577.52  2084.23  ?   ?    67.405   26.323 0.000000 26.32284 
1 1 1   34   32    4 o  116.613   29.129  6619.59  2750.03   0.0000   0.0000  6619.59  2750.03  ?   ?   116.613   29.129 0.000000 29.12903 
1 1 1   34   32    5 o  136.890   29.451  9131.50  3176.40   0.0000   0.0000  9131.50  3176.40  ?   ?   136.890   29.451 0.000000 29.45118 
1 1 1   34   32    6 o  123.584   10.210  6375.97  1015.39 16552.55  6222.03  6097.53  1029.19  166.040   45.019  120.706   10.609 45.33353 46.25191 
1 1 1   34   32    7 o   53.301   11.239  1227.99  471.090  4864.48  5557.62  1201.68  472.792   98.798   41.338   52.686   11.384 46.11232 42.87714 
1 1 1   34   32    8 o  113.029   11.572  5405.84  1047.06 -14009.9805  7836.63  5758.74  1056.53   66.356   33.302  116.808   11.280 -50.45226 35.16079 
1 1 1   34   32    9 o  109.857   11.656  5129.03  1023.81  8745.91  8054.73  5069.63  1032.18  108.948   47.714  109.137   11.838 -0.1895752 49.16055 
1 1 1   34   32   10 o   95.192   13.768  3955.29  1033.29   0.0000   0.0000  3955.29  1033.29  ?   ?    95.192   13.768 0.000000 13.76842 
1 1 1   34   32   11 o   97.737   15.143  4261.17  1162.83   0.0000   0.0000  4261.17  1162.83  ?   ?    97.737   15.143 0.000000 15.14260 
1 1 1   34   32   12 o   78.392   17.190  2878.97  1064.04   0.0000   0.0000  2878.97  1064.04  ?   ?    78.392   17.190 0.000000 17.19002 
1 1 1   34   32   13 o   46.030   17.990  788.896  974.133   0.0000   0.0000  788.896  974.133  ?   ?    46.030   17.990 0.000000 17.99013 
1 1 1   34   34    0 o   76.373   27.620  2652.31  2199.91   0.0000   0.0000  2652.31  2199.91  ?   ?    76.373   27.620 0.000000 27.61967 
1 1 1   34   34    1 o   61.269   25.412  969.239  2074.21   0.0000   0.0000  969.239  2074.21  ?   ?    61.269   25.412 0.000000 25.41200 
1 1 1   34   34    2 o  103.091   29.775  5422.16  2631.88   0.0000   0.0000  5422.16  2631.88  ?   ?   103.091   29.775 0.000000 29.77481 
1 1 1   34   34    3 o   85.384   31.542  3550.24  2891.76   0.0000   0.0000  3550.24  2891.76  ?   ?    85.384   31.542 0.000000 31.54223 
1 1 1   34   34    4 o   67.288   27.971  1369.56  2521.13   0.0000   0.0000  1369.56  2521.13  ?   ?    67.288   27.971 0.000000 27.97139 
1 1 1   34   34    5 o   59.972   26.273  354.490  2443.85   0.0000   0.0000  354.490  2443.85  ?   ?    59.972   26.273 0.000000 26.27302 
1 1 1   34   34    6 o  143.151   11.906  8705.00  1371.34 -698.9398  8465.59  8958.42  1389.69   85.319   41.111  145.242   11.888 -59.92310 42.79525 
1 1 1   34   34    7 o  154.257   12.527 10180.95  1555.49   0.0000   0.0000 10180.95  1555.49  ?   ?   154.257   12.527 0.000000 12.52711 
1 1 1   34   34    8 o  120.042   11.418  6154.56  1099.47   0.0000   0.0000  6154.56  1099.47  ?   ?   120.042   11.418 0.000000 11.41756 
1 1 1   34   34    9 o  109.583   11.573  5169.56  1014.13   0.0000   0.0000  5169.56  1014.13  ?   ?   109.583   11.573 0.000000 11.57264 
1 1 1   34   34   10 o   99.633   13.674  4414.01  1077.02   0.0000   0.0000  4414.01  1077.02  ?   ?    99.633   13.674 0.000000 13.67380 
1 1 1   34   34   11 o   44.344   16.492  796.634  793.200   0.0000   0.0000  796.634  793.200  ?   ?    44.344   16.492 0.000000 16.49217 
1 1 1   34   34   12 o  154.100   19.241 11781.07  2355.07   0.0000   0.0000 11781.07  2355.07  ?   ?   154.100   19.241 0.000000 19.24113 
1 1 1   34   36    0 o   44.325   21.282 -2294.9309  2221.90   0.0000   0.0000 -2294.9309  2221.90  ?   ?    44.325   21.282 0.000000 21.28175 
1 1 1   34   36    1 o  152.095   31.580 12608.70  3772.43   0.0000   0.0000 12608.70  3772.43  ?   ?   152.095   31.580 0.000000 31.58008 
1 1 1   34   36    2 o   41.213   19.970 -2619.4551  2067.56   0.0000   0.0000 -2619.4551  2067.56  ?   ?    41.213   19.970 0.000000 19.97006 
1 1 1   34   36    3 o   46.305   22.423 -2927.9819  2595.67   0.0000   0.0000 -2927.9819  2595.67  ?   ?    46.305   22.423 0.000000 22.42250 
1 1 1   34   36    4 f  121.610   35.928  9241.36  3793.64   0.0000   0.0000  9241.36  3793.64  ?   ?   121.610   35.928 0.000000 35.92797 
1 1 1   34   36    5 o   55.681   26.032 -945.6620  2923.59   0.0000   0.0000 -945.6620  2923.59  ?   ?    55.681   26.032 0.000000 26.03198 
1 1 1   34   36    6 o   51.631   11.596  1181.72  474.257   0.0000   0.0000  1181.72  474.257  ?   ?    51.631   11.596 0.000000 11.59612 
1 1 1   34   36    7 o   76.299   11.308  2541.07  679.375   0.0000   0.0000  2541.07  679.375  ?   ?    76.299   11.308 0.000000 11.30839 
1 1 1   34   36    8 o   22.330   9.9743 -121.1682  369.211   0.0000   0.0000 -121.1682  369.211  ?   ?    22.330   9.9743 0.000000 9.974285 
1 1 1   34   36    9 o   32.553   12.566  349.188  470.699   0.0000   0.0000  349.188  470.699  ?   ?    32.553   12.566 0.000000 12.56559 
1 1 1   34   38    0 o   69.820   30.542  2411.06  3291.79   0.0000   0.0000  2411.06  3291.79  ?   ?    69.820   30.542 0.000000 30.54216 
1 1 1   34   38    1 o   44.190   21.495 -2601.0371  2457.62   0.0000   0.0000 -2601.0371  2457.62  ?   ?    44.190   21.495 0.000000 21.49528 
1 1 1   34   38    2 o   37.741   18.841 -4670.8491  2357.83   0.0000   0.0000 -4670.8491  2357.83  ?   ?    37.741   18.841 0.000000 18.84115 
1 1 1   34   38    3 o   59.112   27.652   58.890  3306.94   0.0000   0.0000   58.890  3306.94  ?   ?    59.112   27.652 0.000000 27.65218 
1 1 1   34   38    4 o   53.670   25.954 -1789.0210  3449.04   0.0000   0.0000 -1789.0210  3449.04  ?   ?    53.670   25.954 0.000000 25.95432 
1 1 1   34   38    5 o   76.920   33.796  4577.79  4070.01   0.0000   0.0000  4577.79  4070.01  ?   ?    76.920   33.796 0.000000 33.79641 
1 1 1   34   38    6 o  149.406   12.330  9940.29  1482.47   0.0000   0.0000  9940.29  1482.47  ?   ?   149.406   12.330 0.000000 12.33041 
1 1 1   34   40    0 o   49.128   24.302 -2521.1951  3581.44   0.0000   0.0000 -2521.1951  3581.44  ?   ?    49.128   24.302 0.000000 24.30167 
1 1 1   35    1    0 o  1449.01   70.459 876479.31 82898.07 873008.19 117234.00 879950.62 117237.10  1421.74  102.236  1427.78  101.793 -6.037231 144.2708 
1 1 1   35    1    1 o  787.268   38.050 253662.20 24322.95 260528.59 34383.01 246783.91 34412.69  792.970   53.718  771.204   55.323 21.76611 77.11191 
1 1 1   35    1    2 o  495.350   17.372 99785.81  6987.30 102321.60  9873.67 97241.88  9889.42  501.202   24.262  487.915   25.047 13.28690 34.87115 
1 1 1   35    1    3 o  418.548   14.518 71208.77  4933.79 70005.41  6965.52 72420.39  6989.40  414.733   20.685  421.840   20.406 -7.106964 29.05597 
1 1 1   35    1    4 o  498.375   17.099 101028.90  6919.25 97729.81  9780.18 104334.90  9790.43  489.048   24.710  506.011   23.829 -16.96335 34.32758 
1 1 1   35    1    5 o  671.443   23.217 183812.80 12657.53 186509.91 17895.36 181112.59 17905.55  674.950   32.654  665.025   33.160 9.924500 46.53842 
1 1 1   35    1    6 o  845.075   29.217 292524.09 20048.15 325851.59 28351.04 259190.41 28353.70  888.742   39.288  789.738   44.397 99.00409 59.28412 
1 1 1   35    1    7 o  296.136   12.759 35681.71  3067.93 40568.99  5240.84 33133.81  3784.06  314.544   20.635  284.691   16.440 29.85339 26.38281 
1 1 1   35    1    8 o  438.221   17.563 78354.95  6249.18 86377.16 10929.34 74458.28  7617.17  457.098   29.606  426.008   22.097 31.08951 36.94341 
1 1 1   35    1    9 o  396.101   16.256 63996.84  5228.35 64491.66  9153.90 63757.27  6369.52  394.667   28.763  394.398   19.955 0.2691956 35.00737 
1 1 1   35    1   10 o  643.643   46.552 176148.59 24164.95 176148.59 24164.95   0.0000   0.0000  643.643   46.552  ?   ?  0.000000 46.55239 
1 1 1   35    1   11 o  375.467   19.334 57856.45  5874.32 57856.45  5874.32   0.0000   0.0000  375.467   19.334  ?   ?  0.000000 19.33411 
1 1 1   35    1   12 o  333.204   24.751 46010.03  6648.51 46010.03  6648.51   0.0000   0.0000  333.204   24.751  ?   ?  0.000000 24.75075 
1 1 1   35    1   13 o  160.343   9.3029 10498.91  1205.96 10071.90  1984.06 10749.11  1518.71  156.151   15.869  161.987   11.624 -5.836533 19.67082 
1 1 1   35    1   14 o  141.910   9.3915  8236.49  1076.02  8613.00  1791.96  8024.18  1345.62  144.236   15.547  139.734   11.976 4.501175 19.62434 
1 1 1   35    1   15 o   32.023   12.753  213.626  497.872 -111.7114  747.176  473.436  667.703   33.833   14.679   39.910   15.073 -6.077072 21.03916 
1 1 1   35    1   16 o  207.457   9.6317 17581.16  1622.44 16777.98  2315.14 18356.29  2274.36  201.446   14.246  210.979   13.345 -9.532837 19.52021 
1 1 1   35    1   17 o  169.791   9.0201 11821.92  1239.10 11740.39  1744.34 11904.96  1760.47  168.342   12.859  169.517   12.887 -1.175049 18.20470 
1 1 1   35    1   18 o   77.784   11.555  2544.67  707.610  2344.28  978.394  2764.43  1024.63   73.450   16.774   79.976   16.331 -6.525902 23.41048 
1 1 1   35    1   19 o   55.594   14.526  1338.25  662.979  1821.01  907.448  785.546  970.959   64.532   17.059   48.606   18.213 15.92586 24.95485 
1 1 1   35    1   20 o  170.119   9.9119 11985.76  1363.21 13213.73  1928.94 10760.51  1926.80  177.190   13.509  159.092   15.097 18.09749 20.25846 
1 1 1   35    1   21 o   36.328   14.399  332.267  631.860 -417.2248  838.471  1317.27  961.223   32.388   14.698   55.611   18.342 -23.22330 23.50463 
1 1 1   35    1   22 o   32.235   14.166 -111.0383  715.271 -372.3474  983.705  182.100  1041.90   35.529   16.041   41.549   17.667 -6.019135 23.86283 
1 1 1   35    1   23 o   63.519   14.765  1839.79  747.057  1480.97  1014.61  2264.65  1104.04   56.699   18.852   68.656   19.105 -11.95679 26.84001 
1 1 1   35    3    0 o  357.719   18.565 52192.27  5373.68 54642.53  7595.41 49736.68  7603.66  365.279   25.774  348.243   27.104 17.03519 37.40245 
1 1 1   35    3    1 o  867.655   34.481 307692.59 24292.43 313505.50 29756.49 296077.41 42063.11  874.418   41.911  842.763   61.902 31.65491 74.75564 
1 1 1   35    3    2 o  1153.33   39.249 544806.38 36755.36 522065.50 51950.18 567599.38 52009.72  1122.11   57.208  1172.40   54.635 -50.28784 79.10619 
1 1 1   35    3    3 o  199.400   8.6768 16149.44  1404.83 16616.45  1960.23 15656.30  2014.33  201.863   12.014  195.867   12.735 5.995865 17.50734 
1 1 1   35    3    4 o  793.088   27.734 256704.80 17859.78 266967.81 25244.27 246420.30 25270.85  806.821   38.534  773.758   40.363 33.06342 55.80381 
1 1 1   35    3    5 o  718.603   28.367 211083.00 16551.59 222122.30 28760.29 205616.09 20239.14  730.789   48.749  707.935   35.210 22.85443 60.13432 
1 1 1   35    3    6 f  211.963   12.136 18329.55  2079.93   0.0000   0.0000 18329.55  2079.93  ?   ?   211.963   12.136 0.000000 12.13554 
1 1 1   35    3    7 o  352.763   17.952 50881.24  5125.04 54881.75  7370.41 47136.05  7131.32  365.225   25.004  338.118   26.179 27.10678 36.20189 
1 1 1   35    3    8 o  472.737   18.990 91272.43  7289.12 99137.53  8955.18 75831.80 12547.42  492.109   22.412  426.001   36.631 66.10858 42.94329 
1 1 1   35    3    9 o  109.909   7.5330  4932.38  668.214  5422.83  853.530  4155.83  1074.01  115.118   9.2085  100.105   13.563 15.01328 16.39324 
1 1 1   35    3   10 o  439.280   15.945 78740.37  5687.19 82241.21  8067.46 75281.83  8018.56  447.878   22.184  427.713   23.175 20.16476 32.08162 
1 1 1   35    3   11 o  193.303   8.1111 15192.46  1273.07 16147.57  1806.16 14249.42  1794.69  198.837   11.233  186.672   11.903 12.16409 16.36629 
1 1 1   35    3   12 o  648.481   26.030 173697.09 13705.71 179456.09 23904.93 170877.00 16728.24  646.272   45.852  639.493   32.321 6.779297 56.09903 
1 1 1   35    3   13 o  234.559   11.332 22420.91  2158.19 23370.20  2635.79 20489.77  3759.41  238.887   13.645  222.242   21.086 16.64488 25.11571 
1 1 1   35    3   14 o  469.931   24.438 91791.76  9292.44 98803.75 13019.15 84509.85 13267.35  482.803   33.416  444.155   37.129 38.64859 49.95184 
1 1 1   35    3   15 o  233.688   11.477 22310.93  2177.82 25025.06  3685.67 20854.93  2699.49  245.571   18.623  224.983   14.861 20.58781 23.82561 
1 1 1   35    3   16 o  263.962   12.378 28586.13  2653.01 29578.34  4452.83 28040.07  3303.33  265.230   20.844  260.151   15.712 5.079529 26.10270 
1 1 1   35    3   17 o  224.275   10.196 20615.00  1856.73 21146.26  2660.41 20110.50  2592.54  225.590   14.602  219.975   14.598 5.615143 20.64771 
1 1 1   35    3   18 o  257.416   11.137 27281.91  2327.83 27668.27  3312.74 26905.05  3271.75  256.904   15.960  253.309   15.989 3.594543 22.59143 
1 1 1   35    3   19 f   70.928   12.919  2150.89  716.616  1402.11  993.325  2963.57  1034.85   57.825   18.618   82.688   15.992 -24.86301 24.54322 
1 1 1   35    3   20 o  144.493   9.7214  8652.85  1133.91  8850.04  1561.95  8433.14  1648.76  144.818   13.436  140.846   14.630 3.972412 19.86416 
1 1 1   35    3   21 o   65.349   13.660  1866.43  701.504  1418.78  916.089  2501.07  1090.77   56.996   17.824   74.414   18.203 -17.41808 25.47627 
1 1 1   35    3   22 o   33.512   13.974  154.038  632.031  362.968  772.317 -269.5917  1099.73   39.009   15.762   38.497   17.204 0.5114365 23.33282 
1 1 1   35    3   23 o   47.769   15.969  1000.21  727.802  448.226  897.389  2061.07  1244.07   41.470   16.905   65.101   20.823 -23.63055 26.82108 
1 1 1   35    5    0 o  1023.24   71.707 439844.69 59200.21   0.0000   0.0000 439844.69 59200.21  ?   ?   1023.24   71.707 0.000000 71.70676 
1 1 1   35    5    1 o  918.394   44.284 346391.69 33022.60 353571.41 46771.97 339255.41 46630.37  920.508   62.956  901.135   64.148 19.37274 89.88002 
1 1 1   35    5    2 o  639.639   25.588 166766.70 13289.76 156310.41 23060.06 171966.70 16261.95  614.758   46.542  648.948   30.862 -34.18958 55.84502 
1 1 1   35    5    3 o  136.622   8.3649  7609.90  923.474  7750.51  1690.61  7550.11  1102.48  137.197   15.445  135.954   10.059 1.243179 18.43136 
1 1 1   35    5    4 o  425.405   30.603 74378.17 10500.26   0.0000   0.0000 74378.17 10500.26  ?   ?   425.405   30.603 0.000000 30.60343 
1 1 1   35    5    5 o  603.946   28.918 149292.00 14181.14 166671.30 20155.78 132255.50 19956.03  634.800   39.297  563.858   43.935 70.94244 58.94532 
1 1 1   35    5    6 f  561.832   22.629 128969.50 10323.32 137728.09 12653.47 111535.20 17852.25  579.841   26.876  516.575   42.951 63.26624 50.66688 
1 1 1   35    5    7 o  420.267   17.401 72039.78  5938.07 74617.02  7290.75 66961.35 10234.33  427.265   21.015  401.864   31.620 25.40100 37.96682 
1 1 1   35    5    8 f  384.919   13.740 60346.64  4294.25 68362.47  6099.85 52470.47  6046.48  409.168   18.360  357.565   20.917 51.60336 27.83225 
1 1 1   35    5    9 o  301.498   11.298 36992.57  2765.85 40629.05  3939.62 33458.07  3883.99  315.650   15.371  285.833   16.809 29.81674 22.77764 
1 1 1   35    5   10 o  159.499   7.5607 10340.40  979.169  9528.50  1405.39 11106.31  1365.01  152.568   11.428  164.902   10.245 -12.33400 15.34789 
1 1 1   35    5   11 o  516.968   18.148 109336.80  7617.67 108734.60 10811.87 109930.40 10734.58  512.842   26.050  516.421   25.600 -3.579102 36.52359 
1 1 1   35    5   12 o  346.819   14.590 49109.45  4108.49 53601.54  7349.15 47067.32  4955.13  359.454   25.342  338.550   18.091 20.90381 31.13722 
1 1 1   35    5   13 f  168.299   8.2429 11523.25  1126.42 10967.49  1620.82 12042.43  1566.57  163.527   12.297  171.523   11.312 -7.995819 16.70848 
1 1 1   35    5   14 o  186.362   8.5372 14138.75  1291.85 13068.84  1863.33 15129.00  1792.62  178.395   12.952  192.221   11.539 -13.82597 17.34656 
1 1 1   35    5   15 o  296.439   13.587 36016.66  3270.48 37356.25  4001.59 33321.71  5675.74  300.812   16.446  280.922   25.149 19.89017 30.04866 
1 1 1   35    5   16 o   77.210   11.589  2496.57  704.112  2265.44  816.384  3167.84  1391.26   72.940   14.296   85.397   20.353 -12.45701 24.87172 
1 1 1   35    5   17 o   75.477   11.250  2390.01  668.389  2643.20  936.970  2127.67  953.743   78.557   15.239   70.081   16.947 8.476532 22.79083 
1 1 1   35    5   18 o  263.117   12.735 28645.11  2720.75 32753.25  4508.68 26292.40  3412.01  276.810   20.199  249.777   16.924 27.03310 26.35187 
1 1 1   35    5   19 o  165.311   9.7181 11283.90  1298.69 10073.79  1817.69 12545.78  1856.17  154.499   14.665  173.106   13.308 -18.60750 19.80329 
1 1 1   35    5   20 o   76.830   11.514  2503.77  696.130  2297.31  918.740  2782.09  1066.70   72.248   16.076   79.352   17.063 -7.103401 23.44282 
1 1 1   35    5   21 o  120.040   10.087  6026.33  974.008  6447.65  1324.41  5530.02  1437.43  122.820   13.504  112.410   16.218 10.41008 21.10368 
1 1 1   35    5   22 o  100.954   11.034  4336.83  889.719  3614.68  1221.95  5151.65  1297.99   89.048   17.524  108.045   15.217 -18.99633 23.20901 
1 1 1   35    5   23 o  103.049   12.089  4625.54  992.277  5684.17  1388.29  3519.87  1418.80  111.916   15.710   84.279   20.848 27.63712 26.10450 
1 1 1   35    7    0 o  1115.01   78.736 527042.00 70825.31   0.0000   0.0000 527042.00 70825.31  ?   ?   1115.01   78.736 0.000000 78.73611 
1 1 1   35    7    1 o  874.806   61.265 319772.00 43242.64   0.0000   0.0000 319772.00 43242.64  ?   ?   874.806   61.265 0.000000 61.26496 
1 1 1   35    7    2 o  534.191   37.870 117580.90 16319.59   0.0000   0.0000 117580.90 16319.59  ?   ?   534.191   37.870 0.000000 37.87024 
1 1 1   35    7    3 o  743.606   31.287 226227.80 18890.34 235274.80 23113.50 208028.20 32782.52  757.036   37.602  704.382   57.829 52.65411 68.97894 
1 1 1   35    7    4 o  472.681   21.682 91115.47  8321.51 101036.60 10178.18 71113.77 14451.82  496.713   25.320  412.569   43.811 84.14478 50.60178 
1 1 1   35    7    5 o  169.758   7.8725 11708.14  1085.13 14386.20  1542.40  9083.52  1526.93  187.855   10.150  148.893   12.753 38.96188 16.29900 
1 1 1   35    7    6 o  391.874   14.360 62530.97  4569.30 66536.46  6480.84 58571.80  6443.27  403.692   19.772  378.040   21.075 25.65213 28.89742 
1 1 1   35    7    7 o  368.993   13.858 55454.43  4152.06 59877.00  5894.90 51100.23  5849.15  382.891   18.961  352.958   20.498 29.93283 27.92272 
1 1 1   35    7    8 o  377.040   13.495 57903.89  4131.38 61868.15  5871.53 54016.68  5814.20  389.163   18.582  362.951   19.804 26.21155 27.15626 
1 1 1   35    7    9 o  640.099   33.583 170474.20 17393.23 170474.20 17393.23   0.0000   0.0000  640.099   33.583  ?   ?  0.000000 33.58254 
1 1 1   35    7   10 o  380.303   13.049 58936.71  4029.39 61654.63  5733.95 56285.13  5663.53  388.294   18.187  370.426   18.893 17.86856 26.22385 
1 1 1   35    7   11 o  175.058   8.0928 12461.53  1150.32 13278.42  1656.64 11700.94  1598.53  180.207   11.380  169.081   11.716 11.12596 16.33315 
1 1 1   35    7   12 o  670.614   23.426 185389.91 12756.01 184376.59 18090.75 186391.91 17989.12  662.637   33.735  667.344   33.199 -4.707458 47.33086 
1 1 1   35    7   13 f  140.268   7.9960  8030.28  906.921  7816.78  1321.71  8220.24  1246.73  137.933   11.918  141.603   10.928 -3.669678 16.16991 
1 1 1   35    7   14 o  441.628   16.024 80016.22  5745.83 83084.96  8183.61 77032.63  8069.26  447.175   22.612  430.288   23.182 16.88739 32.38351 
1 1 1   35    7   15 o  283.358   11.145 32831.15  2564.22 32639.90  3668.23 33013.91  3585.89  280.992   16.146  282.746   15.681 -1.753357 22.50702 
1 1 1   35    7   16 o   48.791   12.234  1015.97  483.780  1044.11  694.882  989.510  673.935   50.235   15.493   49.039   15.280 1.195751 21.76075 
1 1 1   35    7   17 o  279.473   13.158 32264.75  2985.82 32869.78  3655.45 31051.88  5175.60  280.451   16.120  267.949   24.045 12.50189 28.94836 
1 1 1   35    7   18 o  253.727   15.048 26959.59  3086.41 26999.35  4126.57 26909.10  4649.81  250.727   20.448  248.286   23.338 2.440414 31.02897 
1 1 1   35    7   19 o  312.927   14.655 41061.43  3723.72 44455.25  6177.61 39124.59  4666.83  316.317   24.237  301.577   19.158 14.74039 30.89406 
1 1 1   35    7   20 o   44.031   13.803  812.601  549.006  338.299  694.531  1602.58  896.335   37.728   15.051   60.312   17.364 -22.58480 22.97862 
1 1 1   35    7   21 o  198.720   10.493 16506.18  1687.14 15479.12  2371.60 17558.54  2400.62  189.197   15.576  202.217   14.722 -13.02057 21.43250 
1 1 1   35    7   22 o  153.291   10.397  9917.80  1286.42 10200.09  1766.17  9598.81  1877.47  152.860   14.400  147.090   15.977 5.770248 21.50835 
1 1 1   35    7   23 o   38.702   14.677  536.285  634.793   33.308  766.067  1638.44  1134.00   34.281   14.868   58.639   19.931 -24.35780 24.86613 
1 1 1   35    9    0 o  1070.53   76.100 488359.50 65718.34   0.0000   0.0000 488359.50 65718.34  ?   ?   1070.53   76.100 0.000000 76.10040 
1 1 1   35    9    1 o  534.247   38.080 117824.20 16410.71   0.0000   0.0000 117824.20 16410.71  ?   ?   534.247   38.080 0.000000 38.08018 
1 1 1   35    9    2 o  916.202   44.433 346887.41 33055.10 358398.00 46815.88 335444.31 46678.36  921.254   62.963  889.986   65.045 31.26801 90.52709 
1 1 1   35    9    3 o  839.151   40.600 290791.81 27663.27 307599.41 39203.47 274123.59 39040.57  854.489   56.828  804.673   60.189 49.81616 82.77753 
1 1 1   35    9    4 o  346.386   14.211 48832.51  3996.98 58220.68  7109.71 44494.20  4833.05  376.716   23.359  329.895   18.112 46.82077 29.55804 
1 1 1   35    9    5 o  1016.26   34.681 426644.19 28618.06 429485.09 40477.39 423804.81 40466.70  1010.78   49.319  1003.84   49.647 6.935547 69.98025 
1 1 1   35    9    6 o  309.431   10.608 38944.66  2665.20 40704.41  3781.74 37208.14  3756.71  316.070   14.736  301.754   15.384 14.31543 21.30251 
1 1 1   35    9    7 o  356.436   13.113 51737.25  3795.11 55167.81  4678.15 45133.58  6490.60  367.823   15.664  330.810   24.335 37.01224 28.94017 
1 1 1   35    9    8 o  202.151   7.5482 16608.77  1238.97 17078.46  1760.59 16147.96  1743.86  204.604   10.634  198.917   10.838 5.686768 15.18370 
1 1 1   35    9    9 o  198.255   8.6438 15982.43  1391.45 15333.13  1710.52 17252.61  2392.40  193.790   10.915  205.190   14.452 -11.40050 18.11065 
1 1 1   35    9   10 o  556.532   19.265 126843.20  8705.65 126851.90 12351.18 126834.70 12272.50  554.082   27.453  554.107   27.277 -0.2416992E-01 38.70062 
1 1 1   35    9   11 o  635.621   22.261 166176.41 11489.01 165701.09 16295.24 166646.30 16201.00  629.646   31.978  632.399   31.551 -2.753479 44.92289 
1 1 1   35    9   12 o  319.424   11.539 41588.97  2992.82 43448.90  4283.35 39814.84  4183.40  325.859   16.189  311.441   16.603 14.41849 23.18915 
1 1 1   35    9   13 o  392.258   13.811 62893.36  4398.90 64608.21  6278.91 61240.34  6164.65  396.233   19.516  385.216   19.776 11.01736 27.78418 
1 1 1   35    9   14 o  318.695   12.633 41543.25  3269.12 42695.64  4674.55 40440.11  4573.59  321.382   17.986  312.719   18.089 8.662811 25.50899 
1 1 1   35    9   15 o  268.795   10.659 29553.68  2326.37 28911.39  3339.29 30159.40  3242.80  264.285   15.631  270.201   14.838 -5.916321 21.55157 
1 1 1   35    9   16 o  197.116   9.3220 15895.17  1492.00 16381.20  2170.08 15459.48  2054.65  198.837   13.522  193.237   13.174 5.600143 18.87799 
1 1 1   35    9   17 o   37.751   12.700  552.896  460.340   78.883  597.899  1242.94  721.390   32.285   13.537   53.996   15.586 -21.71066 20.64430 
1 1 1   35    9   18 o   98.850   9.3444  4047.67  741.115  3162.99  990.631  5172.21  1116.88   85.921   14.730  111.030   12.613 -25.10818 19.39174 
1 1 1   35    9   19 o  216.636   12.178 19573.42  2133.45 20271.96  2620.03 18198.81  3675.38  219.100   14.814  202.352   22.765 16.74814 27.16062 
1 1 1   35    9   20 o   25.488   11.838 -489.0776  588.770 -290.3139  635.442 -1694.9960  1565.19   28.657   12.920   38.593   18.345 -9.936090 22.43763 
1 1 1   35    9   21 o   50.913   13.976  1142.84  595.354  1245.14  697.648  868.687  1142.05   53.050   15.332   50.595   19.561 2.454330 24.85357 
1 1 1   35    9   22 o   81.146   11.628  2849.76  744.252  2953.73  931.970  2666.74  1236.52   81.245   14.667   74.510   20.014 6.735146 24.81278 
1 1 1   35    9   23 o   22.606   10.600 -442.4271  490.822 -613.4535  562.596  102.504  1004.24   23.232   11.030   38.948   16.958 -15.71592 20.22945 
1 1 1   35   11    0 o  320.225   24.776 42156.86  6391.93   0.0000   0.0000 42156.86  6391.93  ?   ?   320.225   24.776 0.000000 24.77596 
1 1 1   35   11    1 o  376.536   28.150 58402.91  8544.14   0.0000   0.0000 58402.91  8544.14  ?   ?   376.536   28.150 0.000000 28.14982 
1 1 1   35   11    2 o  535.367   26.614 117396.10 11569.14 123766.70 16439.44 111145.30 16284.14  546.189   37.291  516.908   39.087 29.28040 54.02276 
1 1 1   35   11    3 o  350.020   15.655 49909.60  4449.32 48240.20  7935.78 50674.96  5373.31  341.538   28.887  351.923   18.873 -10.38477 34.50584 
1 1 1   35   11    4 o  417.857   16.672 71197.13  5656.49 80646.51 10015.09 66770.84  6854.44  442.106   28.044  403.611   20.988 38.49512 35.02829 
1 1 1   35   11    5 o  591.740   23.639 143527.80 11357.66 145341.91 19901.29 142651.50 13831.26  588.112   41.951  588.529   28.944 -0.4174194 50.96678 
1 1 1   35   11    6 o   96.782   9.8805  3848.99  765.557  3483.74  1374.11  4013.39  921.884   90.631   19.266   98.610   11.745 -7.978477 22.56371 
1 1 1   35   11    7 o  641.237   22.640 168599.50 11787.78 174321.41 16688.14 162901.80 16652.81  648.969   31.670  626.087   32.873 22.88202 45.64642 
1 1 1   35   11    8 o  213.909   8.1960 18602.91  1423.53 19053.39  2015.94 18154.89  2010.43  216.029   11.535  210.831   11.791 5.197037 16.49485 
1 1 1   35   11    9 o  304.938   11.990 37877.07  2968.83 37516.92  3632.05 38602.18  5153.59  303.227   14.752  306.128   20.858 -2.900940 25.54714 
1 1 1   35   11   10 o  310.118   11.186 39170.50  2816.71 37315.76  4001.27 40992.54  3965.82  301.694   16.396  316.791   15.418 -15.09671 22.50606 
1 1 1   35   11   11 o  622.496   21.831 159487.59 11034.58 153761.20 15644.83 165156.41 15565.97  605.787   31.919  629.425   30.457 -23.63794 44.11885 
1 1 1   35   11   12 o  210.816   9.4570 18096.77  1618.80 19050.81  2309.70 17175.65  2269.49  215.594   13.258  204.592   13.741 11.00177 19.09480 
1 1 1   35   11   13 o  628.311   22.224 163533.41 11338.05 163715.41 16098.27 163354.30 15971.32  621.316   32.019  620.817   31.791 0.4989014 45.12047 
1 1 1   35   11   14 o  174.926   8.3268 12471.30  1182.68 13345.78  1664.25 11579.13  1681.00  180.290   11.428  167.703   12.434 12.58775 16.88740 
1 1 1   35   11   15 o  156.502   8.3923 10026.03  1062.56 10445.43  1540.47  9645.40  1467.56  159.079   12.015  152.852   11.919 6.227402 16.92379 
1 1 1   35   11   16 o  207.365   9.3319 17606.28  1571.24 18423.45  2281.12 16868.56  2167.39  210.777   13.398  201.679   13.310 9.098129 18.88583 
1 1 1   35   11   17 o  111.379   8.6198  5110.75  773.477  5340.98  1059.36  4847.87  1131.97  113.202   11.694  107.390   13.264 5.812485 17.68245 
1 1 1   35   11   18 o  141.954   9.2537  8316.66  1060.77  7901.78  1435.92  8815.07  1573.85  137.250   13.042  144.852   13.538 -7.602356 18.79814 
1 1 1   35   11   19 o   20.119   9.1725 -208.3456  331.382 -135.9860  359.907 -611.3110  849.328   22.158   9.8763   31.203   14.395 -9.045115 17.45727 
1 1 1   35   11   20 o   87.286   11.368  3231.32  786.558  3134.14  857.126  3749.62  1979.54   85.486   12.737   88.194   25.924 -2.708008 28.88406 
1 1 1   35   11   21 o  168.976   11.838 12121.25  1613.98 12199.42  1868.56 11891.58  3202.86  168.223   13.801  155.033   26.389 13.19019 29.78003 
1 1 1   35   11   22 o   43.523   14.307  816.956  584.992  483.846  655.667  2117.04  1295.31   38.371   14.825   65.884   21.266 -27.51318 25.92337 
1 1 1   35   13    0 o  886.265   42.786 327973.69 30789.87   0.0000   0.0000 327973.69 30789.87  ?   ?   886.265   42.786 0.000000 42.78643 
1 1 1   35   13    1 o  604.013   22.573 149322.50 11070.77   0.0000   0.0000 149322.50 11070.77  ?   ?   604.013   22.573 0.000000 22.57321 
1 1 1   35   13    2 o  519.179   18.697 110073.40  7881.69 101832.40 15976.57 112724.20  9061.04  492.653   40.292  524.945   21.258 -32.29187 45.55625 
1 1 1   35   13    3 o  587.693   27.861 142141.80 13294.81 154144.50 19099.06 130858.50 18517.80  606.953   38.960  558.070   41.156 48.88251 56.67218 
1 1 1   35   13    4 o  243.974   15.394 24365.53  3033.98 16952.93  4578.62 30168.29  4051.04  200.856   28.907  271.128   18.512 -70.27185 34.32681 
1 1 1   35   13    5 o  176.071   10.133 12652.22  1442.49 10729.20  2775.26 13364.04  1688.48  160.395   21.880  180.835   11.560 -20.44058 24.74640 
1 1 1   35   13    6 f  276.092   12.798 31049.18  2869.05 27828.15  5259.78 32413.49  3423.15  258.950   25.340  281.522   15.030 -22.57196 29.46237 
1 1 1   35   13    7 o   95.484   8.5448  3736.78  655.472  3380.86  1395.08  3837.61  742.537   89.156   19.788   96.656   9.5878 -7.499901 21.98816 
1 1 1   35   13    8 o  432.294   17.097 76389.93  6001.36 92480.62 10745.32 69095.30  7234.93  472.110   28.159  409.697   21.827 62.41360 35.62822 
1 1 1   35   13    9 f  296.322   13.499 35815.55  3247.88 34408.49  5988.04 36402.04  3865.95  287.535   25.927  298.029   16.035 -10.49408 30.48479 
1 1 1   35   13   10 o  422.369   13.624 72810.60  4672.48 66300.72  6633.53 79220.77  6582.52  401.222   20.430  439.603   18.441 -38.38116 27.52191 
1 1 1   35   13   11 o  102.782   7.1111  4316.29  589.815  4063.57  772.579  4669.37  913.192   99.428   9.6930  106.518   10.703 -7.090187 14.44004 
1 1 1   35   13   12 o  263.737   12.858 28419.05  2753.52 24557.00  5227.12 29902.33  3239.41  241.143   27.170  269.850   14.841 -28.70798 30.95906 
1 1 1   35   13   13 o  284.980   12.360 33225.94  2860.10 35901.62  4076.57 30632.09  4013.76  294.727   17.108  271.812   18.293 22.91495 25.04638 
1 1 1   35   13   14 o  131.224   8.1608  7050.03  865.226  8916.20  1210.79  5102.63  1236.86  147.322   10.184  110.491   14.109 36.83074 17.40042 
1 1 1   35   13   15 o  101.825   8.0911  4260.37  663.444  5381.08  884.797  2820.98  1002.73  114.256   9.6270   81.139   15.788 33.11776 18.49192 
1 1 1   35   13   16 o  139.614   8.4031  8003.05  948.152  8284.21  1312.19  7695.87  1371.55  141.367   11.532  135.956   12.567 5.410995 17.05607 
1 1 1   35   13   17 o  177.792   8.8603 12967.35  1279.08 12938.82  1814.64 12995.52  1803.21  176.186   12.771  176.614   12.658 -0.4273987 17.98160 
1 1 1   35   13   18 o   38.247   11.253  616.587  372.860  708.139  412.535  208.125  871.367   40.844   11.786   39.580   16.448 1.263435 20.23470 
1 1 1   35   13   19 o   65.839   10.698  1842.81  552.278  2269.87  645.049  670.146  1068.90   73.079   11.230   47.934   18.813 25.14505 21.91021 
1 1 1   35   13   20 o  101.994   9.3805  4351.20  768.146  5188.03  933.631  2597.86  1351.41  111.059   10.477   74.604   21.271 36.45497 23.71167 
1 1 1   35   13   21 o  100.340   9.7610  4253.43  785.191  4412.28  939.281  3884.87  1430.72  101.415   11.616   90.582   19.988 10.83291 23.11840 
1 1 1   35   13   22 o  100.823   12.178  4452.53  976.778  4679.30  1056.94  3125.33  2556.93  102.923   12.933   74.441   29.132 28.48103 31.87369 
1 1 1   35   15    0 o  369.697   19.663 56060.07  5881.13   0.0000   0.0000 56060.07  5881.13  ?   ?   369.697   19.663 0.000000 19.66259 
1 1 1   35   15    1 o  232.857   14.285 22182.71  2687.89   0.0000   0.0000 22182.71  2687.89  ?   ?   232.857   14.285 0.000000 14.28524 
1 1 1   35   15    2 o  590.679   18.916 142639.59  9072.37 148298.80 18435.59 140831.20 10421.63  594.746   38.381  586.231   21.894 8.515808 44.18621 
1 1 1   35   15    3 o  401.533   15.943 65788.20  5197.96 63318.62 10621.59 66565.88  5960.47  389.092   33.961  403.592   18.189 -14.50040 38.52456 
1 1 1   35   15    4 o  275.346   11.649 30865.99  2604.35 37185.86  4857.98 28317.10  3085.15  300.759   20.007  263.137   14.496 37.62228 24.70632 
1 1 1   35   15    5 o  300.640   13.227 36832.86  3228.83 36791.52  5927.96 36850.30  3850.05  298.098   24.714  300.052   15.859 -1.954468 29.36475 
1 1 1   35   15    6 o  342.573   14.905 47886.26  4145.97 46010.52  7527.38 48703.08  4967.33  332.530   28.143  344.660   17.811 -12.13065 33.30537 
1 1 1   35   15    7 o  248.351   12.753 25205.59  2563.04 17179.47  4800.17 28406.39  3031.33  201.372   30.296  263.486   14.222 -62.11377 33.46780 
1 1 1   35   15    8 o  394.076   21.293 63987.21  6787.92 62607.19  9849.53 65235.53  9367.73  386.382   31.673  395.319   29.394 -8.937714 43.21159 
1 1 1   35   15    9 o  253.186   12.351 26140.83  2539.09 24482.71  4851.39 26766.37  2979.79  242.145   25.036  255.594   14.417 -13.44893 28.89055 
1 1 1   35   15   10 o  312.928   13.683 39996.98  3476.69 45609.33  6477.43 37725.83  4120.54  331.192   24.256  302.994   16.815 28.19827 29.51410 
1 1 1   35   15   11 o  258.700   12.734 27338.16  2674.94 26010.23  5091.72 27844.37  3143.72  248.833   25.564  260.368   14.933 -11.53542 29.60613 
1 1 1   35   15   12 o  121.646   10.340  6081.53  1011.63  3370.57  2350.71  6697.72  1120.72   89.874   28.610  127.617   10.921 -37.74292 30.62373 
1 1 1   35   15   13 o  121.245   8.4971  6025.16  831.228  7974.10  1133.28  3755.80  1222.90  139.329   10.086   94.015   16.628 45.31432 19.44771 
1 1 1   35   15   14 o  322.709   11.383 42745.17  2982.77 43272.50  4295.25 42254.02  4145.29  322.393   16.463  318.756   16.068 3.637665 23.00463 
1 1 1   35   15   15 o  241.001   10.470 23848.79  2048.86 26922.42  2965.39 21041.29  2834.11  254.400   14.415  224.312   15.659 30.08849 21.28357 
1 1 1   35   15   16 o  101.771   8.2019  4267.02  672.011  4290.03  866.457  4232.28  1064.58  101.541   10.669  100.148   13.430 1.392639 17.15184 
1 1 1   35   15   17 o   63.252   9.8309  1684.99  488.508  1269.37  562.458  2961.15  985.589   54.185   12.959   82.793   15.222 -28.60813 19.99103 
1 1 1   35   15   18 o   64.712   9.4712  1762.48  482.925  1641.38  540.054  2245.74  1078.84   62.002   11.137   70.885   18.535 -8.883053 21.62302 
1 1 1   35   15   19 f   34.155   11.868  444.535  402.716  142.628  442.325  1907.40  973.659   28.995   11.849   65.119   17.873 -36.12436 21.44378 
1 1 1   35   15   20 o   23.102   9.4571   84.926  282.346  127.240  293.048 -462.8660  1054.40   24.353   9.7554   36.173   16.441 -11.81913 19.11765 
1 1 1   35   15   21 o   28.274   11.259  197.283  388.002  209.211  406.145   72.652  1312.84   28.946   11.521   43.910   19.246 -14.96457 22.43105 
1 1 1   35   15   22 o  160.834   10.685 11169.13  1387.43 10163.84  1780.50 12723.22  2213.78  149.313   14.884  164.813   16.777 -15.50014 22.42763 
1 1 1   35   17    0 o  445.941   23.367 81930.94  8431.47   0.0000   0.0000 81930.94  8431.47  ?   ?   445.941   23.367 0.000000 23.36692 
1 1 1   35   17    1 o  624.829   31.640 162408.59 15999.85   0.0000   0.0000 162408.59 15999.85  ?   ?   624.829   31.640 0.000000 31.63985 
1 1 1   35   17    2 o  432.738   18.831 76630.13  6616.59 71391.62 11591.75 79161.73  8058.31  412.377   34.948  438.477   22.712 -26.09933 41.67945 
1 1 1   35   17    3 o   96.044   7.9071  3775.72  611.158  2930.26  1650.36  3910.09  657.933   83.297   23.422   97.703   8.3744 -14.40587 24.87445 
1 1 1   35   17    4 o  329.915   16.246 44465.58  4351.97 34381.36  7979.12 48735.75  5192.27  284.874   35.248  344.566   18.628 -59.69180 39.86739 
1 1 1   35   17    5 o  222.973   12.721 20330.64  2293.49 12896.31  4407.18 23091.70  2685.82  173.341   32.507  237.508   13.989 -64.16689 35.38913 
1 1 1   35   17    6 o  310.181   12.512 39221.73  3151.11 50021.99  5887.76 34886.36  3730.32  348.408   20.909  291.760   15.805 56.64825 26.21080 
1 1 1   35   17    7 o  231.257   11.533 21793.49  2165.65 21575.51  4233.90 21870.73  2520.30  227.671   23.228  231.119   13.489 -3.447617 26.86084 
1 1 1   35   17    8 o  138.456   13.833  7905.00  1534.27  6996.19  2470.54  8475.56  1957.50  128.026   24.661  142.835   17.226 -14.80898 30.08118 
1 1 1   35   17    9 o  134.266   9.7790  7381.00  1058.77 10893.92  2408.67  6539.68  1178.76  161.823   18.674  126.100   11.644 35.72318 22.00709 
1 1 1   35   17   10 o  387.226   16.823 61550.18  5289.39 61931.12  9760.31 61391.79  6293.72  381.930   31.761  385.297   20.188 -3.367767 37.63410 
1 1 1   35   17   11 o  413.190   17.479 70345.44  5864.31 76134.26 10798.65 67924.16  6983.87  421.769   31.766  404.030   21.364 17.73865 38.28168 
1 1 1   35   17   12 f  476.539   19.719 94510.16  7629.96 105154.60 13959.72 89975.63  9111.34  488.532   35.433  461.405   24.407 27.12726 43.02546 
1 1 1   35   17   13 o  210.531   11.669 18252.06  1986.98 23555.89  4587.46 17027.26  2204.50  234.025   24.505  202.846   13.461 31.17891 27.95904 
1 1 1   35   17   14 f  217.337   11.904 19507.50  2092.73 25259.26  4678.42 18068.75  2339.87  241.391   24.195  208.498   13.901 32.89259 27.90414 
1 1 1   35   17   15 o  185.451   11.826 14252.97  1771.54 20568.32  4631.34 13170.56  1917.36  214.457   27.209  177.730   13.385 36.72742 30.32274 
1 1 1   35   17   16 o  168.685   12.289 11860.81  1671.64 11399.90  4700.02 11927.56  1788.59  149.713   38.460  168.847   13.150 -19.13409 40.64551 
1 1 1   35   17   17 o  265.419   14.481 29712.49  3109.07 34531.73  7177.63 28599.42  3449.48  265.356   34.102  258.958   16.491 6.397675 37.88039 
1 1 1   35   17   18 f   38.437   9.9562  635.008  313.217  663.133  333.384  423.417  914.431   39.268   10.321   42.605   17.174 -3.337799 20.03639 
1 1 1   35   17   19 o   33.964   11.037  470.960  348.523  414.176  370.988  897.665  1016.98   32.855   11.392   49.606   18.630 -16.75105 21.83675 
1 1 1   35   17   20 o   45.131   11.320  896.059  414.096  935.728  439.980  588.358  1225.39   46.056   11.733   47.733   19.639 -1.676727 22.87716 
1 1 1   35   17   21 o   35.567   11.604  535.077  385.130  571.298  405.128  195.119  1241.14   36.626   11.900   43.343   18.862 -6.717033 22.30170 
1 1 1   35   19    0 o  458.213   23.934 86737.97  8873.96   0.0000   0.0000 86737.97  8873.96  ?   ?   458.213   23.934 0.000000 23.93434 
1 1 1   35   19    1 o  294.353   17.369 35572.86  4132.84   0.0000   0.0000 35572.86  4132.84  ?   ?   294.353   17.369 0.000000 17.36882 
1 1 1   35   19    2 o  343.603   19.576 48567.62  5438.85   0.0000   0.0000 48567.62  5438.85  ?   ?   343.603   19.576 0.000000 19.57550 
1 1 1   35   19    3 o  129.506   11.377  6884.90  1184.23  6450.15  2177.99  7067.38  1411.03  123.340   22.580  130.939   13.464 -7.598854 26.28897 
1 1 1   35   19    4 f  462.879   15.898 87598.45  5975.12 91521.75 12304.09 86387.68  6835.20  466.857   32.664  459.139   18.334 7.717834 37.45806 
1 1 1   35   19    5 o  400.316   18.360 65700.68  5967.65 56324.61 10904.97 69708.91  7130.01  363.397   37.497  411.084   21.435 -47.68732 43.19096 
1 1 1   35   19    6 o  138.740   9.5088  7873.07  1064.72  8156.39  2334.06  7798.62  1196.46  139.230   21.325  137.935   10.768 1.295212 23.88988 
1 1 1   35   19    7 o   94.233   16.153  3736.29  1191.48  2589.07  2040.85  4329.50  1467.55   80.717   26.732  101.152   18.552 -20.43470 32.53845 
1 1 1   35   19    8 o  286.049   13.235 33432.05  3074.10 35984.65  5994.43 32521.20  3580.81  293.247   25.427  281.328   15.739 11.91965 29.90398 
1 1 1   35   19    9 o  270.609   12.931 29940.75  2841.35 33054.13  5566.06 28843.52  3304.32  280.741   24.668  264.773   15.437 15.96820 29.09984 
1 1 1   35   19   10 o  266.101   12.485 28982.59  2697.51 34173.34  5374.43 27234.58  3118.81  285.181   23.417  257.067   15.007 28.11340 27.81282 
1 1 1   35   19   11 o  170.891   11.406 12012.28  1573.59 10335.57  3668.17 12390.43  1742.02  152.438   30.698  173.357   12.459 -20.91843 33.12952 
1 1 1   35   19   12 o   99.021   12.233  4089.97  962.654  6015.16  3153.39  3892.12  1010.91  114.856   32.405   96.330   13.277 18.52537 35.01921 
1 1 1   35   19   13 o  119.032   11.802  5888.49  1125.66  8967.21  3466.68  5525.63  1190.15  139.469   31.372  114.990   12.974 24.47847 33.94909 
1 1 1   35   19   14 o  134.559   11.499  7519.35  1244.26 13772.68  3821.03  6777.62  1315.98  174.633   27.885  127.324   12.908 47.30935 30.72791 
1 1 1   35   19   15 o   79.829   16.176  2770.82  1012.61  6622.42  3861.01  2486.33  1049.34  115.627   36.652   75.226   17.508 40.40040 40.61875 
1 1 1   35   19   16 o   70.258   17.671  2187.34  1007.11  7473.90  3574.55  1731.51  1049.63  121.638   34.565   62.929   18.970 58.70981 39.42814 
1 1 1   35   19   17 o   75.015   18.185  2526.31  1096.13  6075.11  3970.57  2233.54  1140.45  106.885   37.257   70.361   19.356 36.52371 41.98489 
1 1 1   35   19   18 o  103.052   16.262  4683.97  1315.62  7866.39  5481.71  4489.45  1355.23  111.321   42.907  100.369   17.251 10.95144 46.24466 
1 1 1   35   19   19 o  102.957   17.308  4806.29  1395.55   0.0000   0.0000  4806.29  1395.55  ?   ?   102.957   17.308 0.000000 17.30774 
1 1 1   35   19   20 o   54.103   20.127  1259.51  1181.57   0.0000   0.0000  1259.51  1181.57  ?   ?    54.103   20.127 0.000000 20.12728 
1 1 1   35   21    0 o  304.681   18.199 38208.55  4481.68   0.0000   0.0000 38208.55  4481.68  ?   ?   304.681   18.199 0.000000 18.19896 
1 1 1   35   21    1 o  262.179   16.664 28258.49  3529.03   0.0000   0.0000 28258.49  3529.03  ?   ?   262.179   16.664 0.000000 16.66399 
1 1 1   35   21    2 o  271.484   16.925 30305.90  3712.30   0.0000   0.0000 30305.90  3712.30  ?   ?   271.484   16.925 0.000000 16.92500 
1 1 1   35   21    3 o  266.307   14.421 29068.07  3106.75 25400.55  5592.24 30705.27  3736.38  245.395   28.603  273.245   16.924 -27.85025 33.23462 
1 1 1   35   21    4 o  231.536   10.325 21841.51  1941.16 19544.53  4468.48 22375.81  2155.13  215.530   26.063  234.266   11.330 -18.73587 28.41932 
1 1 1   35   21    5 o  229.490   13.897 21602.46  2577.26 20141.84  4578.53 22279.94  3118.20  218.659   26.317  232.569   16.622 -13.90961 31.12649 
1 1 1   35   21    6 o  354.400   20.429 51952.04  5853.75 54515.39  8643.82 49780.49  7955.83  359.357   29.895  343.786   28.765 15.57050 41.48686 
1 1 1   35   21    7 o   77.952   10.703  2524.51  659.547  899.415  1999.10  2723.01  698.667   63.889   25.519   80.979   10.903 -17.08957 27.75090 
1 1 1   35   21    8 o  214.607   11.285 18865.13  1959.63 19048.31  4149.49 18812.54  2223.17  212.236   24.531  214.028   12.852 -1.792023 27.69386 
1 1 1   35   21    9 o  254.639   13.121 26664.61  2703.75 27696.39  5824.71 26381.23  3052.53  253.577   28.800  252.803   14.937 0.7739868 32.44368 
1 1 1   35   21   10 o  264.920   13.499 28952.30  2894.11 31640.66  6239.27 28215.29  3266.82  269.608   28.955  260.863   15.493 8.744354 32.83899 
1 1 1   35   21   11 o  211.235   12.720 18444.11  2171.45 13322.03  5212.58 19519.62  2388.57  167.177   39.098  217.048   13.622 -49.87091 41.40336 
1 1 1   35   21   12 o   66.295   15.164  1897.79  798.533 -2719.1631  3264.75  2191.58  823.548   58.333   27.347   71.416   14.692 -13.08277 31.04416 
1 1 1   35   21   13 o  216.563   12.663 19479.14  2216.95 19857.83  5580.28 19408.17  2415.77  204.719   34.817  215.686   13.868 -10.96642 37.47739 
1 1 1   35   21   14 o  181.374   12.320 13704.69  1803.64 15685.72  5138.63 13426.33  1926.19  178.078   36.757  179.125   13.339 -1.047211 39.10262 
1 1 1   35   21   15 o   35.813   15.227   54.691  773.862  2310.31  3210.35 -84.4600  797.375   80.728   32.306   34.801   15.131 45.92685 35.67387 
1 1 1   35   21   16 o  287.869   17.529 35819.14  4077.71 18250.28  9136.30 40189.44  4556.74  155.040   56.253  303.873   18.557 -148.8335 59.23465 
1 1 1   35   21   17 o  169.128   14.029 12240.67  1909.21 13565.07  6440.65 12113.08  1999.06  139.999   47.501  167.740   14.830 -27.74139 49.76204 
1 1 1   35   21   18 o   57.158   20.141  1409.14  1162.13   0.0000   0.0000  1409.14  1162.13  ?   ?    57.158   20.141 0.000000 20.14097 
1 1 1   35   21   19 o   54.366   19.693  1289.02  1119.02   0.0000   0.0000  1289.02  1119.02  ?   ?    54.366   19.693 0.000000 19.69284 
1 1 1   35   21   20 o  134.165   17.426  8532.12  1853.54   0.0000   0.0000  8532.12  1853.54  ?   ?   134.165   17.426 0.000000 17.42611 
1 1 1   35   23    0 o  263.115   17.414 28548.80  3699.36   0.0000   0.0000 28548.80  3699.36  ?   ?   263.115   17.414 0.000000 17.41427 
1 1 1   35   23    1 o  162.458   15.260 10902.14  1989.37   0.0000   0.0000 10902.14  1989.37  ?   ?   162.458   15.260 0.000000 15.25998 
1 1 1   35   23    2 o  433.139   24.225 78110.13  8485.64   0.0000   0.0000 78110.13  8485.64  ?   ?   433.139   24.225 0.000000 24.22498 
1 1 1   35   23    3 o  470.075   21.094 91296.72  8051.28 88595.45 14251.59 92562.98  9757.55  452.151   39.207  470.743   25.625 -18.59244 46.83799 
1 1 1   35   23    4 o  257.840   11.006 27127.66  2304.23 32733.79  5370.88 25863.03  2550.92  279.675   23.880  251.575   12.488 28.10034 26.94821 
1 1 1   35   23    5 o  179.778   11.999 13265.38  1741.54  8331.81  4315.53 14225.13  1903.41  136.631   37.680  186.083   12.673 -49.45166 39.75368 
1 1 1   35   23    6 o   39.645   11.607  653.621  397.525  408.987  2007.01  663.610  405.560   59.886   24.931   39.959   11.731 19.92712 27.55280 
1 1 1   35   23    7 o  167.973   10.801 11582.21  1465.34 15720.16  4221.22 11015.26  1562.50  190.527   28.132  163.609   11.842 26.91747 30.52323 
1 1 1   35   23    8 o  135.655   10.706  7578.67  1169.69  9947.95  3446.87  7270.32  1243.48  149.714   29.404  132.673   11.661 17.04092 31.63190 
1 1 1   35   23    9 o  127.859   10.692  6747.54  1099.85 13899.67  3800.91  6093.95  1149.01  177.830   27.187  121.236   11.823 56.59418 29.64643 
1 1 1   35   23   10 o   72.788   13.131  2251.78  747.516 -1066.9230  2908.56  2486.49  773.498   61.194   27.610   76.633   12.888 -15.43856 30.46986 
1 1 1   35   23   11 o  154.704   11.635  9919.28  1450.77 10933.95  4568.44  9805.48  1529.97  149.808   37.612  153.605   12.372 -3.797028 39.59474 
1 1 1   35   23   12 o  125.699   12.440  6603.70  1253.01  9915.43  3913.61  6225.46  1322.63  143.390   34.110  121.666   13.622 21.72429 36.72971 
1 1 1   35   23   13 o   68.425   17.192  2059.22  953.988  5986.02  3581.63  1759.36  989.742  110.268   35.338   63.439   18.241 46.82869 39.76791 
1 1 1   35   23   14 o   67.474   18.711  2022.69  1060.91  4833.00  3811.21  1786.63  1104.57   99.878   36.318   63.853   19.507 36.02515 41.22523 
1 1 1   35   23   15 o  157.064   13.563 10458.95  1712.77 11036.47  6019.02 10408.06  1786.63  133.089   45.901  156.350   14.229 -23.26099 48.05577 
1 1 1   35   23   16 o   92.764   16.445  3813.90  1193.34  676.038  5722.03  3956.58  1220.17   82.129   37.695   94.493   16.504 -12.36459 41.14993 
1 1 1   35   23   17 o  135.257   16.039  8092.18  1727.14   0.0000   0.0000  8092.18  1727.14  ?   ?   135.257   16.039 0.000000 16.03893 
1 1 1   35   23   18 o   34.975   15.866 -362.3612  975.682   0.0000   0.0000 -362.3612  975.682  ?   ?    34.975   15.866 0.000000 15.86555 
1 1 1   35   23   19 o   40.972   18.099   41.544  1182.00   0.0000   0.0000   41.544  1182.00  ?   ?    40.972   18.099 0.000000 18.09864 
1 1 1   35   25    0 o  125.616   16.488  6600.76  1641.12   0.0000   0.0000  6600.76  1641.12  ?   ?   125.616   16.488 0.000000 16.48820 
1 1 1   35   25    1 o  493.943   27.331 103129.30 10918.80   0.0000   0.0000 103129.30 10918.80  ?   ?   493.943   27.331 0.000000 27.33076 
1 1 1   35   25    2 o  392.836   23.098 64632.62  7335.11   0.0000   0.0000 64632.62  7335.11  ?   ?   392.836   23.098 0.000000 23.09793 
1 1 1   35   25    3 o  444.380   25.642 83398.54  9212.81   0.0000   0.0000 83398.54  9212.81  ?   ?   444.380   25.642 0.000000 25.64181 
1 1 1   35   25    4 o  410.750   19.911 70181.77  6640.73 77705.70 11946.49 66817.31  7988.69  420.369   35.328  397.431   24.881 22.93796 43.21021 
1 1 1   35   25    5 o  277.552   10.698 31523.98  2410.86 45142.14  5953.35 28852.65  2636.74  327.020   22.559  265.207   12.245 61.81311 25.66749 
1 1 1   35   25    6 o  250.870   10.383 25768.10  2115.06 33985.71  5389.35 24272.01  2299.54  282.264   23.735  243.214   11.644 39.04932 26.43769 
1 1 1   35   25    7 o  193.510   10.629 15401.05  1663.64 23678.91  4845.19 14294.69  1771.32  233.363   26.013  186.131   11.781 47.23192 28.55664 
1 1 1   35   25    8 o   95.786   10.683  3812.75  816.700  4435.62  3429.66  3775.31  840.890  100.554   34.650   95.225   11.083 5.328972 36.37949 
1 1 1   35   25    9 o   82.000   12.065  2830.62  779.312  5291.70  3386.21  2692.98  800.808  106.829   34.373   79.769   12.796 27.05982 36.67808 
1 1 1   35   25   10 o   65.756   13.440  1857.31  693.359 -841.5722  3399.18  1974.48  708.250   66.657   29.982   67.870   13.328 -1.212936 32.81071 
1 1 1   35   25   11 f   45.194   15.772  777.624  711.687 -3370.0959  4199.82  900.249  722.131   64.578   30.505   47.453   15.906 17.12487 34.40258 
1 1 1   35   25   12 o  107.319   13.875  4891.84  1180.73 -3727.9060  4999.87  5400.93  1215.10   69.518   32.970  112.965   13.516 -43.44690 35.63238 
1 1 1   35   25   13 o   85.803   15.620  3207.24  1048.13 -1267.4480  5335.44  3386.85  1068.96   77.734   35.937   88.279   15.477 -10.54543 39.12858 
1 1 1   35   25   14 o   81.144   17.940  2953.80  1150.61  7465.15  5781.63  2767.75  1174.10  112.422   43.858   78.239   18.730 34.18300 47.69059 
1 1 1   35   25   15 o   31.040   14.559 -842.5486  927.429 -9775.0557  4731.93 -485.7118  945.773   52.619   26.332   34.009   15.502 18.61028 30.55591 
1 1 1   35   25   16 o  107.836   16.781  5223.93  1421.57   0.0000   0.0000  5223.93  1421.57  ?   ?   107.836   16.781 0.000000 16.78121 
1 1 1   35   25   17 o   71.070   21.057  2488.41  1301.59   0.0000   0.0000  2488.41  1301.59  ?   ?    71.070   21.057 0.000000 21.05702 
1 1 1   35   25   18 o   53.658   19.998  1298.88  1167.47   0.0000   0.0000  1298.88  1167.47  ?   ?    53.658   19.998 0.000000 19.99796 
1 1 1   35   27    0 o  354.464   22.225 53210.71  6364.32   0.0000   0.0000 53210.71  6364.32  ?   ?   354.464   22.225 0.000000 22.22513 
1 1 1   35   27    1 o  288.862   19.919 35119.02  4643.29   0.0000   0.0000 35119.02  4643.29  ?   ?   288.862   19.919 0.000000 19.91861 
1 1 1   35   27    2 o   86.577   21.438  3280.93  1499.08   0.0000   0.0000  3280.93  1499.08  ?   ?    86.577   21.438 0.000000 21.43787 
1 1 1   35   27    3 o  318.780   21.464 43115.98  5523.43   0.0000   0.0000 43115.98  5523.43  ?   ?   318.780   21.464 0.000000 21.46422 
1 1 1   35   27    4 f  281.124   17.323 33113.75  3934.85 39874.86  7570.70 30611.34  4605.82  298.230   31.752  268.113   21.333 30.11682 38.25349 
1 1 1   35   27    5 o  160.202   10.798 10589.70  1396.40 10809.00  4533.85 10566.71  1467.75  150.131   37.346  159.886   11.380 -9.754562 39.04170 
1 1 1   35   27    6 o  296.817   12.519 36385.45  3017.19 49092.00  7738.21 34107.37  3276.51  331.754   29.019  286.733   14.073 45.02142 32.25113 
1 1 1   35   27    7 o  112.064   10.498  5208.83  944.058  2214.59  4353.62  5356.57  967.068   89.289   36.907  113.631   10.604 -24.34190 38.40017 
1 1 1   35   27    8 o  108.874   10.842  4931.94  945.683  8913.16  4773.09  4769.28  964.809  132.209   40.578  106.939   11.282 25.26997 42.11707 
1 1 1   35   27    9 o   49.667   14.192  1056.50  600.879 -1171.2450  4686.77  1093.73  605.879   75.693   34.504   50.464   14.192 25.22888 37.30892 
1 1 1   35   27   10 o   57.594   14.792  1445.12  695.337 -1094.6740  4125.70  1519.37  705.428   70.947   32.353   59.037   14.756 11.90984 35.55970 
1 1 1   35   27   11 o  139.202   12.797  8156.92  1430.24  6645.58  6073.96  8245.64  1471.62  112.316   44.603  139.839   13.114 -27.52357 46.49041 
1 1 1   35   27   12 o   66.558   17.161  1974.57  933.355 11038.35  5811.62  1734.60  945.630  134.419   45.124   62.492   17.785 71.92624 48.50240 
1 1 1   35   27   13 o   40.419   16.699  284.461  890.722 -3756.6489  6067.00  373.484  900.480   73.128   35.126   41.637   16.949 31.49049 39.00112 
1 1 1   35   27   14 o  193.063   14.541 16085.75  2262.68   0.0000   0.0000 16085.75  2262.68  ?   ?   193.063   14.541 0.000000 14.54073 
1 1 1   35   27   15 o   55.909   20.200  1330.69  1176.25   0.0000   0.0000  1330.69  1176.25  ?   ?    55.909   20.200 0.000000 20.19958 
1 1 1   35   27   16 o   70.723   20.672  2471.69  1261.85   0.0000   0.0000  2471.69  1261.85  ?   ?    70.723   20.672 0.000000 20.67192 
1 1 1   35   27   17 o   58.773   23.962  1539.66  1803.34   0.0000   0.0000  1539.66  1803.34  ?   ?    58.773   23.962 0.000000 23.96174 
1 1 1   35   29    0 o   46.409   21.556 -1491.5280  1953.08   0.0000   0.0000 -1491.5280  1953.08  ?   ?    46.409   21.556 0.000000 21.55603 
1 1 1   35   29    1 o  169.889   18.941 12346.86  2568.27   0.0000   0.0000 12346.86  2568.27  ?   ?   169.889   18.941 0.000000 18.94056 
1 1 1   35   29    2 o  352.764   23.699 54136.56  6748.90   0.0000   0.0000 54136.56  6748.90  ?   ?   352.764   23.699 0.000000 23.69950 
1 1 1   35   29    3 o  248.872   21.214 26706.29  4245.91   0.0000   0.0000 26706.29  4245.91  ?   ?   248.872   21.214 0.000000 21.21396 
1 1 1   35   29    4 o   84.878   25.986  3228.43  1958.89   0.0000   0.0000  3228.43  1958.89  ?   ?    84.878   25.986 0.000000 25.98607 
1 1 1   35   29    5 o  243.716   22.468 25933.24  4396.13 31938.08  7679.05 23005.80  5361.68  255.133   38.247  223.235   30.368 31.89787 48.83714 
1 1 1   35   29    6 o  216.369   12.004 19456.08  2100.65 23032.37  5214.91 18763.39  2295.09  223.447   29.462  211.866   13.411 11.58020 32.37014 
1 1 1   35   29    7 o   70.959   11.032  2128.75  614.989  5674.01  4976.18  2073.76  619.740  108.312   41.089   69.952   11.296 38.36008 42.61371 
1 1 1   35   29    8 o  142.231   11.210  8433.17  1284.11 15957.02  5921.42  8061.88  1315.42  171.146   42.739  138.859   11.778 32.28775 44.33244 
1 1 1   35   29    9 o  107.153   12.065  4840.03  1031.48  1342.77  6227.07  4938.70  1045.93   90.797   40.731  108.239   12.108 -17.44164 42.49240 
1 1 1   35   29   10 o  136.734   12.815  7903.31  1406.15  7452.61  6151.33  7928.17  1444.39  113.486   44.943  136.803   13.166 -23.31699 46.83175 
1 1 1   35   29   11 o  117.119   13.562  5868.22  1265.85 10494.01  7224.19  5721.69  1285.75  122.805   48.682  115.440   14.004 7.365112 50.65639 
1 1 1   35   29   12 o  100.894   14.771  4442.37  1174.24  3772.29  7574.11  4458.87  1188.61   95.056   43.533  101.003   14.944 -5.946999 46.02667 
1 1 1   35   29   13 o   61.281   18.813  1720.83  1025.87   0.0000   0.0000  1720.83  1025.87  ?   ?    61.281   18.813 0.000000 18.81268 
1 1 1   35   29   14 o  157.360   15.308 10996.79  1931.16   0.0000   0.0000 10996.79  1931.16  ?   ?   157.360   15.308 0.000000 15.30798 
1 1 1   35   29   15 o   57.671   20.961  1543.48  1269.29   0.0000   0.0000  1543.48  1269.29  ?   ?    57.671   20.961 0.000000 20.96065 
1 1 1   35   29   16 o   52.100   22.133  911.434  1632.56   0.0000   0.0000  911.434  1632.56  ?   ?    52.100   22.133 0.000000 22.13316 
1 1 1   35   31    0 o  187.528   21.202 15442.37  3171.70   0.0000   0.0000 15442.37  3171.70  ?   ?   187.528   21.202 0.000000 21.20236 
1 1 1   35   31    1 o  196.828   22.183 17112.01  3483.40   0.0000   0.0000 17112.01  3483.40  ?   ?   196.828   22.183 0.000000 22.18292 
1 1 1   35   31    2 o   77.291   25.915  2628.81  1916.78   0.0000   0.0000  2628.81  1916.78  ?   ?    77.291   25.915 0.000000 25.91476 
1 1 1   35   31    3 o   85.013   29.078  3262.95  2413.79   0.0000   0.0000  3262.95  2413.79  ?   ?    85.013   29.078 0.000000 29.07826 
1 1 1   35   31    4 o  203.338   25.143 18759.12  4062.68   0.0000   0.0000 18759.12  4062.68  ?   ?   203.338   25.143 0.000000 25.14256 
1 1 1   35   31    5 o  167.596   21.441 12473.01  2850.92 16549.11  6552.02 11521.04  3166.38  168.557   46.404  158.300   25.501 10.25652 52.94964 
1 1 1   35   31    6 o  104.917   10.178  4595.20  856.159  4462.20  6323.02  4597.68  864.118  102.102   43.471  104.918   10.275 -2.816574 44.66885 
1 1 1   35   31    7 o  101.899   10.584  4352.64  862.932 11381.25  6487.09  4226.03  870.670  133.748   47.537  100.307   10.864 33.44121 48.76229 
1 1 1   35   31    8 o   57.158   12.019  1415.60  540.137 -6144.0420  6543.92  1467.46  541.986   71.822   34.968   58.257   11.861 13.56536 36.92478 
1 1 1   35   31    9 o   88.307   12.165  3331.44  849.103  5953.04  7089.77  3293.29  855.259  103.488   45.058   87.726   12.349 15.76184 46.71942 
1 1 1   35   31   10 o  208.503   14.265 18677.56  2400.53 32369.65  9907.93 17823.70  2474.25  198.445   57.903  202.979   15.121 -4.534058 59.84456 
1 1 1   35   31   11 o  221.070   15.201 21313.90  2711.98   0.0000   0.0000 21313.90  2711.98  ?   ?   221.070   15.201 0.000000 15.20078 
1 1 1   35   31   12 o  105.731   15.775  5016.25  1312.84   0.0000   0.0000  5016.25  1312.84  ?   ?   105.731   15.775 0.000000 15.77493 
1 1 1   35   31   13 o   35.829   15.804 -74.5828  898.169   0.0000   0.0000 -74.5828  898.169  ?   ?    35.829   15.804 0.000000 15.80424 
1 1 1   35   31   14 o   48.442   19.475  852.875  1172.52   0.0000   0.0000  852.875  1172.52  ?   ?    48.442   19.475 0.000000 19.47489 
1 1 1   35   33    0 o  140.419   25.800  9293.43  2833.24   0.0000   0.0000  9293.43  2833.24  ?   ?   140.419   25.800 0.000000 25.80031 
1 1 1   35   33    1 o  148.442   27.317 10524.02  3171.19   0.0000   0.0000 10524.02  3171.19  ?   ?   148.442   27.317 0.000000 27.31695 
1 1 1   35   33    2 o  126.828   29.735  7970.83  3008.93   0.0000   0.0000  7970.83  3008.93  ?   ?   126.828   29.735 0.000000 29.73494 
1 1 1   35   33    3 o  131.724   30.700  8707.83  3222.84   0.0000   0.0000  8707.83  3222.84  ?   ?   131.724   30.700 0.000000 30.70031 
1 1 1   35   33    4 o  154.745   30.344 11916.95  3676.40   0.0000   0.0000 11916.95  3676.40  ?   ?   154.745   30.344 0.000000 30.34398 
1 1 1   35   33    5 o  181.615   27.309 15880.45  3902.44   0.0000   0.0000 15880.45  3902.44  ?   ?   181.615   27.309 0.000000 27.30876 
1 1 1   35   33    6 o  330.198   16.811 47457.91  4492.17 51781.34 13101.24 46881.89  4782.07  246.640   64.638  326.429   18.113 -79.78896 67.12752 
1 1 1   35   33    7 o  110.511   10.897  5159.32  965.087  7157.63  7163.58  5122.38  973.966  104.598   45.416  110.052   11.049 -5.454048 46.74070 
1 1 1   35   33    8 o   25.735   10.998   9.8373  407.438   0.0000   0.0000   9.8373  407.438  ?   ?    25.735   10.998 0.000000 10.99784 
1 1 1   35   33    9 o   20.052   9.3541 -334.8438  374.150   0.0000   0.0000 -334.8438  374.150  ?   ?    20.052   9.3541 0.000000 9.354056 
1 1 1   35   33   10 o   61.782   16.168  1759.97  820.501   0.0000   0.0000  1759.97  820.501  ?   ?    61.782   16.168 0.000000 16.16845 
1 1 1   35   33   11 o   58.838   17.468  1633.50  895.001   0.0000   0.0000  1633.50  895.001  ?   ?    58.838   17.468 0.000000 17.46752 
1 1 1   35   33   12 o  185.720   15.112 15670.69  2259.04   0.0000   0.0000 15670.69  2259.04  ?   ?   185.720   15.112 0.000000 15.11159 
1 1 1   35   35    0 o   67.456   27.944  1527.03  2503.86   0.0000   0.0000  1527.03  2503.86  ?   ?    67.456   27.944 0.000000 27.94445 
1 1 1   35   35    1 o   85.339   31.698  3739.44  2928.35   0.0000   0.0000  3739.44  2928.35  ?   ?    85.339   31.698 0.000000 31.69818 
1 1 1   35   35    2 o   66.295   27.921  1309.22  2562.00   0.0000   0.0000  1309.22  2562.00  ?   ?    66.295   27.921 0.000000 27.92088 
1 1 1   35   35    3 o   44.037   21.146 -2383.4231  2195.29   0.0000   0.0000 -2383.4231  2195.29  ?   ?    44.037   21.146 0.000000 21.14622 
1 1 1   35   35    4 o   76.836   30.632  2730.60  2875.26   0.0000   0.0000  2730.60  2875.26  ?   ?    76.836   30.632 0.000000 30.63244 
1 1 1   35   35    5 o   96.749   34.635  5560.74  3449.50   0.0000   0.0000  5560.74  3449.50  ?   ?    96.749   34.635 0.000000 34.63461 
1 1 1   35   35    6 o   80.488   10.534  2771.14  671.891   0.0000   0.0000  2771.14  671.891  ?   ?    80.488   10.534 0.000000 10.53370 
1 1 1   35   35    7 o   98.332   11.122  4152.40  872.427   0.0000   0.0000  4152.40  872.427  ?   ?    98.332   11.122 0.000000 11.12245 
1 1 1   35   35    8 o   63.921   12.349  1813.62  617.730   0.0000   0.0000  1813.62  617.730  ?   ?    63.921   12.349 0.000000 12.34888 
1 1 1   35   35    9 o  117.446   12.418  6055.03  1166.23   0.0000   0.0000  6055.03  1166.23  ?   ?   117.446   12.418 0.000000 12.41786 
1 1 1   35   35   10 o  102.942   14.189  4821.00  1154.44   0.0000   0.0000  4821.00  1154.44  ?   ?   102.942   14.189 0.000000 14.18850 
1 1 1   35   37    0 o  100.889   36.360  7037.46  3807.72   0.0000   0.0000  7037.46  3807.72  ?   ?   100.889   36.360 0.000000 36.35974 
1 1 1   35   37    1 o  126.659   36.533 10570.67  3964.65   0.0000   0.0000 10570.67  3964.65  ?   ?   126.659   36.533 0.000000 36.53342 
1 1 1   35   37    2 o   60.370   27.429  350.362  2930.98   0.0000   0.0000  350.362  2930.98  ?   ?    60.370   27.429 0.000000 27.42894 
1 1 1   35   37    3 o   75.294   32.379  2992.62  3571.60   0.0000   0.0000  2992.62  3571.60  ?   ?    75.294   32.379 0.000000 32.37897 
1 1 1   35   37    4 o  110.615   36.924  8814.31  3891.15   0.0000   0.0000  8814.31  3891.15  ?   ?   110.615   36.924 0.000000 36.92408 
1 1 1   35   37    5 o   82.855   34.339  4805.63  3783.46   0.0000   0.0000  4805.63  3783.46  ?   ?    82.855   34.339 0.000000 34.33932 
1 1 1   35   37    6 o  147.960   12.576  9652.65  1496.59   0.0000   0.0000  9652.65  1496.59  ?   ?   147.960   12.576 0.000000 12.57640 
1 1 1   35   37    7 o  106.434   11.695  4991.62  994.000   0.0000   0.0000  4991.62  994.000  ?   ?   106.434   11.695 0.000000 11.69471 
1 1 1   35   37    8 o   16.537   8.0160 -524.7945  333.873   0.0000   0.0000 -524.7945  333.873  ?   ?    16.537   8.0160 0.000000 8.015976 
1 1 1   35   39    0 o   47.189   22.862 -1821.2290  2707.10   0.0000   0.0000 -1821.2290  2707.10  ?   ?    47.189   22.862 0.000000 22.86227 
1 1 1   35   39    1 f   75.066   33.053  4564.63  3911.21   0.0000   0.0000  4564.63  3911.21  ?   ?    75.066   33.053 0.000000 33.05274 
1 1 1   35   39    2 o   80.819   35.609  6489.38  4546.90   0.0000   0.0000  6489.38  4546.90  ?   ?    80.819   35.609 0.000000 35.60915 
1 1 1   35   39    3 o   62.100   29.149  1488.62  3728.55   0.0000   0.0000  1488.62  3728.55  ?   ?    62.100   29.149 0.000000 29.14886 
1 1 1   35   39    4 o   74.105   36.318  7713.65  7404.47   0.0000   0.0000  7713.65  7404.47  ?   ?    74.105   36.318 0.000000 36.31752 
1 1 1   36    0    0 o  376.923   28.051 58763.76  8475.77   0.0000   0.0000 58763.76  8475.77  376.923   28.051  376.923   28.051 0.000000 0.000000 
1 1 1   36    0    1 o  691.269   48.662 198235.59 27002.52   0.0000   0.0000 198235.59 27002.52  691.269   48.662  691.269   48.662 0.000000 0.000000 
1 1 1   36    0    2 o  366.390   19.542 55028.65  5775.85 46960.00  8252.24 62777.09  8086.84  335.415   30.904  390.297   25.776 0.000000 0.000000 
1 1 1   36    0    3 o  1033.06   50.935 440224.59 42487.49 412063.50 60191.85 468189.09 59981.47  989.424   75.953  1058.15   70.531 0.000000 0.000000 
1 1 1   36    0    4 o  733.334   35.720 220974.41 21154.02 223120.50 30031.06 218860.80 29802.86  732.367   51.072  725.198   51.199 0.000000 0.000000 
1 1 1   36    0    5 o  395.360   19.642 64050.80  6269.92 70656.34  8981.04 57770.43  8757.21  413.812   26.993  373.018   29.330 0.000000 0.000000 
1 1 1   36    0    6 o  146.111   9.9824  8793.60  1171.59  9544.15  1742.67  8174.57  1582.64  151.172   14.504  139.653   14.301 0.000000 0.000000 
1 1 1   36    0    7 o  670.693   47.487 188835.50 25562.58   0.0000   0.0000 188835.50 25562.58  670.693   47.487  670.693   47.487 0.000000 0.000000 
1 1 1   36    0    8 o  301.663   23.697 37829.30  5721.86 37829.30  5721.86   0.0000   0.0000  301.663   23.697  301.663   23.697 0.000000 0.000000 
1 1 1   36    0    9 o  188.794   17.820 14903.44  2675.75 14903.44  2675.75   0.0000   0.0000  188.794   17.820  188.794   17.820 0.000000 0.000000 
1 1 1   36    0   12 o  191.023   17.088 15236.85  2601.67   0.0000   0.0000 15236.85  2601.67  191.023   17.088  191.023   17.088 0.000000 0.000000 
1 1 1   36    0   13 o   34.758   18.456  710.356  702.304 -351.8947  1119.23  1400.24  901.975   27.626   18.410   48.767   21.603 0.000000 0.000000 
1 1 1   36    0   14 o  217.202   13.422 19453.00  2346.31 21467.72  3499.95 17808.48  3162.09  226.531   19.353  205.894   19.304 0.000000 0.000000 
1 1 1   36    0   15 o  381.507   20.667 60433.31  6359.02 56761.54  9192.97 63802.12  8805.56  364.125   31.643  388.428   28.263 0.000000 0.000000 
1 1 1   36    0   16 o  257.540   15.311 27510.66  3175.93 28289.93  4744.40 26877.95  4275.07  257.790   23.092  252.051   21.236 0.000000 0.000000 
1 1 1   36    0   17 f  170.074   12.985 12070.83  1769.13 13334.25  2825.06 11255.71  2269.16  175.560   20.555  162.136   17.781 0.000000 0.000000 
1 1 1   36    0   18 o  154.683   13.885 10092.22  1711.65  8450.32  2755.62 11123.67  2184.09  132.338   29.334  161.059   17.195 0.000000 0.000000 
1 1 1   36    0   19 o   96.379   16.939  4192.39  1203.22  5814.04  2137.74  3440.44  1455.69  107.031   28.469   80.534   25.343 0.000000 0.000000 
1 1 1   36    0   20 o  196.677   14.949 16406.40  2355.55 16105.52  3905.41 16578.45  2953.19  185.796   27.701  195.155   19.054 0.000000 0.000000 
1 1 1   36    0   21 o   40.980   22.391  1064.22  1061.67  2288.57  2263.95  719.071  1202.04   57.312   32.182   37.247   22.296 0.000000 0.000000 
1 1 1   36    0   22 o   45.060   22.523  1347.32  1005.40  1771.49  2635.20  1275.06  1087.67   52.110   32.062   43.661   23.026 0.000000 0.000000 
1 1 1   36    0   23 o   43.469   23.745  1335.20  1193.70  2219.27  3020.10  1171.52  1299.52   53.102   33.392   41.430   23.916 0.000000 0.000000 
1 1 1   36    2    0 o  1820.24   89.901 1407632.00 132872.00 1381311.00 187910.50 1433951.00 187908.41  1754.09  132.923  1790.87  130.113 -36.78223 186.0051 
1 1 1   36    2    1 o  382.067   19.530 59547.62  6038.44 58712.22  8511.19 60394.27  8568.38  378.427   27.896  383.869   27.676 -5.441833 39.29557 
1 1 1   36    2    2 o  582.325   20.173 137998.91  9538.52 135671.20 13469.76 140340.30 13509.32  576.684   28.766  586.562   28.365 -9.878662 40.39885 
1 1 1   36    2    3 o  491.476   17.284 98248.52  6897.40 101626.20  9730.91 94838.04  9778.07  499.420   23.997  481.726   25.085 17.69360 34.71466 
1 1 1   36    2    4 o  615.933   22.177 154564.00 11090.99 161055.09 15675.37 148056.91 15694.70  627.713   30.755  600.796   32.291 26.91705 44.59375 
1 1 1   36    2    5 f  591.927   24.087 142998.20 11576.89 135537.30 20136.49 146681.80 14149.06  571.261   43.745  598.781   29.102 -27.51984 52.54049 
1 1 1   36    2    6 o  103.049   8.9767  4347.98  743.603   0.0000   0.0000  4347.98  743.603  ?   ?   103.049   8.9767 0.000000 8.976723 
1 1 1   36    2    7 o  686.226   32.645 194178.09 18189.53 212265.59 25855.90 176455.41 25593.85  711.262   45.002  646.216   49.146 65.04547 66.63735 
1 1 1   36    2    8 o  593.419   27.542 144784.50 13270.71 170768.30 18914.63 119593.20 18623.97  640.461   36.523  532.788   43.428 107.6732 56.74491 
1 1 1   36    2    9 o  698.336   27.804 200786.20 15765.31 205746.50 19341.61 190966.80 27213.35  704.563   33.809  668.796   50.485 35.76648 60.76014 
1 1 1   36    2   10 o  949.376   36.037 375540.59 27779.89 354160.31 34057.62 418043.81 48019.48  913.567   46.061  977.340   60.812 -63.77313 76.28742 
1 1 1   36    2   11 o  482.131   19.372 95178.40  7583.70 91098.67  9272.00 103423.50 13181.24  469.918   24.384  497.656   32.804 -27.73883 40.87434 
1 1 1   36    2   12 f  634.512   31.411 167634.91 16182.79 166258.59 22773.03 169038.80 23000.52  622.131   45.395  627.281   45.467 -5.150330 64.24912 
1 1 1   36    2   13 o  218.077   10.610 19372.45  1878.70 20690.91  3182.75 18667.42  2327.42  224.042   17.638  213.432   13.500 10.61018 22.21156 
1 1 1   36    2   14 o  531.697   21.946 116779.80  9474.69 120078.50 16316.66 115101.70 11637.75  528.813   38.259  524.690   27.412 4.122864 47.06546 
1 1 1   36    2   15 o  295.574   11.720 35709.68  2812.64 35607.46  4001.11 35809.53  3954.63  293.631   16.852  294.538   16.604 -0.9073792 23.65764 
1 1 1   36    2   16 o  101.085   9.0179  4204.81  732.394  3384.52  1065.81  4938.70  1008.12   89.388   15.231  109.188   11.546 -19.80041 19.11238 
1 1 1   36    2   17 o   98.807   9.3848  4030.98  743.887  3973.56  1022.60  4095.52  1084.13   97.284   13.294   98.639   13.923 -1.355270 19.25039 
1 1 1   36    2   18 o  141.438   9.4731  8241.00  1081.63  7976.31  1515.82  8515.59  1543.89  138.049   13.704  142.749   13.479 -4.699890 19.22242 
1 1 1   36    2   19 o   95.284   10.984  3795.61  834.235  3480.07  1168.55  4123.59  1191.36   89.545   16.686   98.064   15.475 -8.518433 22.75745 
1 1 1   36    2   20 o  171.873   10.173 12251.65  1413.32 13310.88  1975.62 11141.36  2022.68  177.632   13.806  161.573   15.612 16.05847 20.84106 
1 1 1   36    2   21 o  140.188   10.447  8215.72  1180.67  7318.41  1646.86  9164.62  1693.54  129.800   15.962  146.247   14.451 -16.44685 21.53174 
1 1 1   36    2   22 o   43.358   15.584  726.557  699.085 -52.6428  988.495  1506.26  988.816   38.324   16.751   57.943   18.568 -19.61911 25.00727 
1 1 1   36    2   23 o   95.158   11.864  3935.60  896.791  3506.83  1231.93  4418.96  1308.00   86.113   18.189   97.693   17.113 -11.58013 24.97398 
1 1 1   36    4    0 o  309.236   16.512 38995.83  4131.07 40130.64  5815.88 37840.23  5868.92  313.070   23.041  303.844   23.984 9.225891 33.25797 
1 1 1   36    4    1 o  306.424   16.087 38283.63  3988.46 37590.75  5550.09 39023.59  5735.54  302.979   22.726  308.695   23.049 -5.715790 32.36864 
1 1 1   36    4    2 o  851.443   33.402 296346.50 23092.53 277399.31 40037.76 305791.59 28268.23  815.200   60.928  863.557   40.315 -48.35681 73.05860 
1 1 1   36    4    3 o  582.253   23.293 138139.50 11012.41 126459.70 19131.70 143927.00 13467.15  553.081   42.938  593.851   27.929 -40.77032 51.22240 
1 1 1   36    4    4 o  975.908   47.370 393546.81 37536.15 391656.19 53174.00 395424.69 52994.71  962.270   68.503  967.242   67.908 -4.971558 96.45795 
1 1 1   36    4    5 o  396.409   28.647 64647.20  9158.52   0.0000   0.0000 64647.20  9158.52  ?   ?   396.409   28.647 0.000000 28.64691 
1 1 1   36    4    6 o  717.179   27.762 210864.41 16166.54 220104.80 19812.69 192455.00 27965.15  731.145   33.373  675.502   51.371 55.64374 61.25999 
1 1 1   36    4    7 f  554.230   22.170 125656.60  9976.90 135937.91 12238.91 105291.70 17225.06  575.598   26.187  500.534   42.794 75.06390 50.17063 
1 1 1   36    4    8 o  348.388   12.713 49412.97  3596.23 54555.65  5106.93 44354.36  5065.01  365.649   17.201  328.968   19.044 36.68097 25.66206 
1 1 1   36    4    9 o  591.657   20.275 143213.41  9740.20 159570.30 13806.18 127004.70 13743.49  622.595   27.310  553.638   30.693 68.95667 41.08416 
1 1 1   36    4   10 o  200.485   9.4883 16348.75  1544.57 15604.31  1885.69 17866.56  2692.54  195.399   11.943  208.621   16.017 -13.22221 19.97963 
1 1 1   36    4   11 o  207.632   8.8723 17534.58  1495.77 18066.17  2136.68 17023.71  2094.63  210.188   12.577  203.997   12.709 6.191360 17.88041 
1 1 1   36    4   12 o  509.875   20.322 106705.60  8413.25 117380.60 14784.69 101593.40 10231.34  528.294   34.659  495.336   25.525 32.95764 43.04385 
1 1 1   36    4   13 o  526.727   21.967 114302.60  9394.79 116734.70 11504.89 109435.00 16276.03  529.773   26.833  505.607   39.972 24.16644 48.14319 
1 1 1   36    4   14 o  330.005   14.369 44558.42  3850.17 44779.51  4707.36 44111.63  6691.81  329.720   17.647  324.694   25.590 5.025787 31.08456 
1 1 1   36    4   15 o   76.628   10.642  2443.14  644.246  3137.06  963.043  1881.05  866.748   86.346   14.232   66.312   16.229 20.03403 21.58583 
1 1 1   36    4   16 o  292.707   13.514 35253.11  3211.79 40346.59  5421.12 32498.29  3986.83  309.214   21.730  279.201   17.677 30.01218 28.01221 
1 1 1   36    4   17 o   90.597   9.9656  3403.22  720.973  4271.26  1018.34  2530.83  1020.88  101.041   12.693   76.496   16.888 24.54506 21.12572 
1 1 1   36    4   18 o  156.372   9.1780 10059.43  1160.21 10209.13  1666.94  9918.76  1615.83  156.438   13.248  154.251   13.023 2.187042 18.57676 
1 1 1   36    4   19 o   51.198   14.401  1127.22  623.814  1446.12  894.496  825.269  870.409   58.025   17.517   47.851   17.363 10.17454 24.66355 
1 1 1   36    4   20 o  184.118   10.163 14059.74  1513.44 13954.21  2115.85 14170.30  2165.69  181.474   14.480  182.756   14.719 -1.282593 20.64747 
1 1 1   36    4   21 o   67.676   13.508  1998.85  716.291  3531.56  903.582 -593.1744  1175.05   90.855   12.587   37.829   17.257 53.02634 21.35920 
1 1 1   36    4   22 o   55.724   15.399  1396.60  719.933  1117.66  887.299  1934.08  1231.66   51.302   17.628   64.582   20.725 -13.27979 27.20791 
1 1 1   36    4   23 o   99.190   12.468  4307.75  981.960  4623.11  1267.77  3834.83  1552.50  100.530   16.073   87.216   21.942 13.31319 27.19889 
1 1 1   36    6    0 o  569.223   40.249 133540.80 18482.55   0.0000   0.0000 133540.80 18482.55  ?   ?   569.223   40.249 0.000000 40.24854 
1 1 1   36    6    1 o  191.257   17.165 14998.22  2637.30   0.0000   0.0000 14998.22  2637.30  ?   ?   191.257   17.165 0.000000 17.16536 
1 1 1   36    6    2 o  665.914   46.712 183603.00 25097.30   0.0000   0.0000 183603.00 25097.30  ?   ?   665.914   46.712 0.000000 46.71194 
1 1 1   36    6    3 o  960.673   49.318 382761.81 38340.11 444345.50 54095.69 320603.69 54347.38  1027.35   65.187  865.128   78.213 162.2181 101.8171 
1 1 1   36    6    4 o  172.615   9.0301 12139.08  1261.23 12499.05  1536.55 11395.71  2208.08  175.028   10.866  166.507   16.552 8.520905 19.79934 
1 1 1   36    6    5 o  331.368   11.759 44651.23  3163.78 47638.86  4482.35 41685.05  4466.23  342.030   16.140  319.411   17.285 22.61972 23.64898 
1 1 1   36    6    6 o  763.912   26.650 239337.59 16530.28 262660.81 23396.18 216089.41 23358.54  796.886   36.159  720.236   40.101 76.65015 53.99583 
1 1 1   36    6    7 o  501.033   18.302 102482.30  7445.74 113348.00 10552.95 91711.08 10506.93  525.727   24.721  471.548   27.562 54.17975 37.02432 
1 1 1   36    6    8 o  815.425   27.687 273653.31 18331.43 294071.81 25953.59 253326.00 25895.62  840.262   38.040  777.214   41.181 63.04810 56.06213 
1 1 1   36    6    9 o  519.948   20.375 110648.50  8601.87 112587.20 10553.13 106810.50 14848.28  523.461   24.829  505.185   36.443 18.27554 44.09720 
1 1 1   36    6   10 o  460.969   16.428 86775.01  6148.70 91597.99  8733.98 82035.93  8657.67  472.337   22.773  446.113   23.989 26.22452 33.07710 
1 1 1   36    6   11 o  319.608   11.862 41613.93  3078.40 43291.20  4393.25 39995.99  4314.84  325.018   16.704  312.302   17.080 12.71536 23.89046 
1 1 1   36    6   12 o   56.879   11.966  1368.20  535.138  1096.34  1069.32  1459.04  618.109   55.041   19.326   58.649   13.287 -3.608177 23.45325 
1 1 1   36    6   13 o  637.060   22.234 167396.80 11501.12 172225.59 16315.70 162627.41 16214.86  641.233   31.337  621.819   32.226 19.41400 44.94973 
1 1 1   36    6   14 o  340.613   12.665 47409.75  3502.70 45693.15  4996.99 49067.95  4911.25  332.651   18.575  345.047   17.588 -12.39630 25.58042 
1 1 1   36    6   15 o  249.525   11.953 25485.29  2421.70 24792.97  2947.73 26922.77  4247.52  245.131   14.880  253.589   20.812 -8.457886 25.58437 
1 1 1   36    6   16 o  161.450   10.180 10710.49  1327.74 10481.01  1606.97 11204.18  2357.01  159.212   12.532  163.099   18.103 -3.886856 22.01784 
1 1 1   36    6   17 o   38.317   13.236  551.335  500.571  352.823  685.975  777.442  732.102   38.161   15.041   45.665   15.993 -7.503578 21.95530 
1 1 1   36    6   18 o   35.972   14.043  337.203  593.097  384.460  810.717  282.790  869.943   40.838   16.271   40.644   16.615 0.1942139 23.25478 
1 1 1   36    6   19 o  116.285   9.5892  5602.38  897.335  6405.82  1208.78  4616.10  1339.27  123.667   12.197  103.393   16.508 20.27429 20.52518 
1 1 1   36    6   20 o   37.897   14.005  488.569  570.237  144.425  687.744  1245.60  1020.03   34.964   14.578   55.168   18.903 -20.20437 23.87109 
1 1 1   36    6   21 o  160.536   11.155 10825.69  1445.05 16493.27  2042.06  5140.83  2045.17  197.296   12.817  103.395   24.699 93.90100 27.82678 
1 1 1   36    6   22 o   97.984   11.060  4097.14  864.542  4203.92  1119.05  3939.05  1361.63   97.607   14.566   92.067   18.849 5.540367 23.82114 
1 1 1   36    6   23 o   81.738   13.582  2992.34  869.771  3759.25  1146.14  1951.01  1335.55   90.127   16.260   63.006   21.628 27.12109 27.05840 
1 1 1   36    8    0 o  269.157   21.548 29701.34  4669.77   0.0000   0.0000 29701.34  4669.77  ?   ?   269.157   21.548 0.000000 21.54810 
1 1 1   36    8    1 o  297.149   23.096 36211.48  5528.62   0.0000   0.0000 36211.48  5528.62  ?   ?   297.149   23.096 0.000000 23.09565 
1 1 1   36    8    2 o  706.542   34.232 204725.41 19638.24 219232.09 27845.17 190368.80 27700.73  726.328   47.476  675.447   50.882 50.88153 69.59125 
1 1 1   36    8    3 o  455.827   18.334 84637.47  6785.73 98350.87 11891.13 78015.24  8263.28  489.088   30.089  436.557   23.397 52.53052 38.11516 
1 1 1   36    8    4 o  509.302   19.571 105784.80  8093.21 121808.60 11434.61 89699.59 11456.48  545.606   25.811  466.541   30.409 79.06467 39.88633 
1 1 1   36    8    5 f  489.386   15.969 97584.06  6345.54 99184.52  8980.23 95988.09  8967.69  492.516   22.456  484.462   22.797 8.053802 31.99966 
1 1 1   36    8    6 o  329.136   12.253 44088.11  3274.67 48271.46  4653.07 39982.89  4609.41  344.041   16.657  312.448   18.248 31.59222 24.70726 
1 1 1   36    8    7 o  255.827   9.2392 26610.51  1919.19 29090.98  2735.94 24207.52  2692.87  267.312   12.605  243.404   13.681 23.90808 18.60265 
1 1 1   36    8    8 o  124.400   8.2781  6318.71  831.387  6772.49  1039.58  5513.49  1384.81  128.646   10.032  115.306   15.159 13.34052 18.17728 
1 1 1   36    8    9 o  211.695   10.206 18233.55  1754.28 18362.57  2158.34 17982.41  3011.35  211.952   12.598  209.010   17.917 2.942230 21.90310 
1 1 1   36    8   10 o  186.199   7.9216 14095.99  1197.64 13610.32  1703.59 14570.57  1684.02  182.451   11.559  188.859   11.030 -6.408188 15.97718 
1 1 1   36    8   11 f  257.512   10.335 26996.66  2160.95 25406.14  3084.00 28530.79  3028.83  248.933   15.332  264.030   14.180 -15.09622 20.88435 
1 1 1   36    8   12 o  359.427   13.235 52719.95  3862.48 54555.95  5513.54 50950.54  5412.61  364.232   18.706  351.883   19.015 12.34900 26.67335 
1 1 1   36    8   13 o  416.010   15.309 70839.02  5171.19 71188.72  7373.01 70500.45  7254.75  414.695   21.975  412.770   21.722 1.925232 30.89925 
1 1 1   36    8   14 o   86.080   8.6412  3048.57  595.815  3795.29  837.627  2283.82  847.681   95.809   10.965   73.358   14.743 22.45045 18.37326 
1 1 1   36    8   15 o  244.329   10.208 24399.75  2025.21 24038.22  2902.40 24742.80  2827.23  241.160   14.895  244.855   14.282 -3.694672 20.63624 
1 1 1   36    8   16 o  161.558   8.9370 10701.72  1167.80  9974.02  1693.03 11362.19  1612.91  154.940   13.595  165.830   12.061 -10.88957 18.17399 
1 1 1   36    8   17 o  117.596   10.612  5726.45  1002.34  5925.85  1192.26  5245.79  1851.07  119.199   12.505  109.278   21.627 9.921410 24.98228 
1 1 1   36    8   18 o  143.644   11.840  8585.49  1368.67  8192.55  1711.65  9282.20  2279.20  139.131   15.410  146.431   19.667 -7.299698 24.98502 
1 1 1   36    8   19 o   85.468   11.475  3078.75  776.199  4387.38  1067.26  1609.32  1130.93  101.753   13.231   61.454   19.874 40.29860 23.87557 
1 1 1   36    8   20 o   75.952   12.309  2468.95  733.139  1589.98  946.425  3787.77  1159.29   60.088   17.991   93.137   15.900 -33.04862 24.01010 
1 1 1   36    8   21 o   22.880   10.647 -411.2227  479.973 -619.1673  566.928  115.016  901.873   23.664   11.187   38.590   16.424 -14.92624 19.87164 
1 1 1   36    8   22 o   85.827   11.557  3177.65  784.892  2980.86  992.039  3507.02  1283.41   81.211   15.611   86.432   18.821 -5.220444 24.45287 
1 1 1   36    8   23 o   96.197   12.897  4108.62  982.030  4304.85  1245.06  3785.56  1597.51   95.986   16.574   84.981   22.715 11.00520 28.11930 
1 1 1   36   10    0 o  554.017   39.648 127214.80 17717.37   0.0000   0.0000 127214.80 17717.37  ?   ?   554.017   39.648 0.000000 39.64771 
1 1 1   36   10    1 o  197.748   17.882 16058.76  2840.16   0.0000   0.0000 16058.76  2840.16  ?   ?   197.748   17.882 0.000000 17.88202 
1 1 1   36   10    2 f  180.745   12.209 13346.51  1781.23 15113.90  2599.14 11781.37  2445.92  191.895   16.852  169.072   18.098 22.82292 24.72894 
1 1 1   36   10    3 o  580.047   22.988 137547.20 10826.68 149500.50 18967.60 131770.70 13185.74  599.589   39.175  565.917   28.790 33.67169 48.61696 
1 1 1   36   10    4 o  419.615   16.809 71787.17  5727.15 82186.09 10127.63 66898.35  6944.10  446.446   28.081  404.019   21.242 42.42645 35.21089 
1 1 1   36   10    5 o  565.337   22.548 130858.50 10350.08 145723.80 18153.30 123698.90 12598.37  590.868   38.040  547.586   28.433 43.28186 47.49180 
1 1 1   36   10    6 o  318.107   15.096 41249.18  3899.18 43016.16  4804.63 37840.34  6673.40  324.030   18.337  302.069   27.510 21.96017 33.06100 
1 1 1   36   10    7 o  357.955   12.979 52186.02  3772.29 51147.27  5351.66 53211.78  5318.14  353.280   18.723  360.444   18.230 -7.164093 26.13259 
1 1 1   36   10    8 o  205.526   7.4230 17168.62  1238.75 17682.28  1757.99 16662.06  1745.78  208.465   10.386  202.069   10.678 6.396255 14.89597 
1 1 1   36   10    9 o  273.011   12.328 30363.82  2732.73 29539.48  3346.94 32012.39  4733.12  268.586   15.412  278.639   21.076 -10.05273 26.10981 
1 1 1   36   10   10 o   71.563   7.5125  2104.96  430.014  1614.94  558.987  2815.33  673.033   61.980   11.532   82.534   10.265 -20.55447 15.43856 
1 1 1   36   10   11 o  745.800   26.730 230367.41 16186.51 231741.70 22939.41 229004.59 22843.26  739.477   38.337  735.027   38.408 4.449829 54.26692 
1 1 1   36   10   12 o   32.695   11.457  383.994  375.738  233.064  513.031  558.620  551.837   32.761   12.978   39.479   13.882 -6.718712 19.00352 
1 1 1   36   10   13 o  246.530   10.230 24776.98  2047.78 25166.87  2936.27 24407.78  2857.34  247.497   14.677  243.757   14.502 3.740402 20.63298 
1 1 1   36   10   14 o  196.616   9.0332 15763.79  1442.11 15411.22  2054.28 16106.35  2024.94  193.495   13.153  197.927   12.666 -4.432571 18.26058 
1 1 1   36   10   15 o   67.943   9.3846  1921.43  503.905  1145.75  660.777  2999.45  778.981   52.062   14.884   84.762   11.625 -32.70086 18.88593 
1 1 1   36   10   16 o  210.689   9.7155 18183.57  1662.06 20453.81  2411.61 16129.65  2293.84  222.171   13.432  196.878   14.450 25.29346 19.72850 
1 1 1   36   10   17 o  118.008   8.8478  5736.43  841.609  6551.60  1196.56  4938.32  1183.97  125.470   11.887  108.287   13.778 17.18324 18.19666 
1 1 1   36   10   18 o  171.111   9.4913 12074.17  1313.52 12314.99  1854.18 11831.58  1861.04  171.504   13.422  167.953   13.768 3.550949 19.22762 
1 1 1   36   10   19 o   33.855   12.914  342.371  493.194  509.541  520.440 -1129.9330  1544.51   37.536   13.451   41.347   19.193 -3.811348 23.43710 
1 1 1   36   10   20 o   85.257   13.231  3127.01  886.248  3757.36  986.063  477.745  2021.50   93.564   13.359   57.503   24.533 36.06096 27.93457 
1 1 1   36   10   21 o   70.633   12.733  2175.05  703.386  2240.29  884.344  2062.72  1160.48   70.572   15.824   66.721   19.909 3.850700 25.43144 
1 1 1   36   10   22 o   68.597   14.017  2115.85  754.351  2216.01  915.878  1904.57  1330.15   69.098   16.544   63.231   21.586 5.866291 27.19654 
1 1 1   36   12    0 o  463.673   33.992 89171.06 12708.35   0.0000   0.0000 89171.06 12708.35  ?   ?   463.673   33.992 0.000000 33.99194 
1 1 1   36   12    1 o  486.576   35.475 98393.59 13918.96   0.0000   0.0000 98393.59 13918.96  ?   ?   486.576   35.475 0.000000 35.47479 
1 1 1   36   12    2 o  503.396   25.593 104196.60 10426.53 105390.70 14838.35 103031.80 14654.07  503.001   36.582  497.326   36.545 5.675293 51.70857 
1 1 1   36   12    3 f  110.102   8.2190  4954.51  729.477  5087.62  1517.48  4914.51  831.905  110.321   17.527  109.537   9.4459 0.7844543 19.90997 
1 1 1   36   12    4 o  951.024   45.198 380525.91 34901.61 410362.00 49629.77 351333.59 49091.30  969.713   63.381  892.037   68.296 77.67554 93.17424 
1 1 1   36   12    5 o  462.957   23.936 88163.98  8966.89 84304.91 12948.33 91720.15 12429.77  449.068   35.809  469.578   32.806 -20.51044 48.56445 
1 1 1   36   12    6 o  409.796   17.478 68585.05  5815.51 64265.82 10350.40 70577.62  7030.10  392.484   32.779  414.654   20.948 -22.17020 38.90060 
1 1 1   36   12    7 o  242.842   12.311 24078.73  2419.59 18006.16  4503.40 26543.10  2868.84  207.259   27.434  254.803   13.919 -47.54489 30.76348 
1 1 1   36   12    8 o  550.175   17.556 123747.40  7842.47 127672.90 11113.80 119854.10 11068.19  556.980   24.574  539.447   25.269 17.53351 35.24816 
1 1 1   36   12    9 o  449.126   16.250 82431.98  5926.00 79972.49  7251.67 87376.13 10281.65  441.582   20.225  458.749   27.733 -17.16623 34.32442 
1 1 1   36   12   10 o  250.608   9.5621 25562.11  1945.76 24838.78  2755.58 26281.40  2747.87  246.314   13.834  253.452   13.400 -7.137833 19.25983 
1 1 1   36   12   11 o  401.439   15.936 65942.09  5194.39 66365.58  7376.63 65525.55  7315.70  400.477   22.779  397.941   22.735 2.535431 32.18382 
1 1 1   36   12   12 o  253.491   9.8900 26181.42  2035.62 26921.36  2900.81 25463.53  2857.29  256.214   13.997  249.125   14.184 7.089218 19.92720 
1 1 1   36   12   13 o  251.559   10.355 25822.51  2115.18 28401.38  3027.70 23363.96  2956.22  262.853   14.239  238.079   15.375 24.77502 20.95545 
1 1 1   36   12   14 f  366.551   13.904 55241.68  4138.31 57743.12  5909.50 52834.55  5797.04  371.965   19.636  355.496   20.166 16.46832 28.14689 
1 1 1   36   12   15 o  189.413   9.3638 14675.95  1440.13 16344.47  2067.73 13104.08  2006.94  198.829   12.877  177.630   14.029 21.19875 19.04288 
1 1 1   36   12   16 o  311.841   12.421 40125.84  3145.11 44037.61  4549.13 36544.03  4353.06  323.791   17.367  294.330   18.305 29.46091 25.23256 
1 1 1   36   12   17 o  135.066   8.7393  7509.36  953.302  8044.10  1317.18  6921.14  1381.46  139.055   11.777  128.431   13.447 10.62447 17.87463 
1 1 1   36   12   18 o   26.243   10.184  181.333  310.500  392.983  335.461 -1084.1910  820.291   31.958   10.841   27.322   13.068 4.636614 16.97950 
1 1 1   36   12   19 o   97.921   9.4525  3994.29  742.212  3169.66  928.122  5457.16  1236.18   85.848   13.781  113.169   13.734 -27.32037 19.45629 
1 1 1   36   12   20 o   88.185   11.458  3306.74  801.042  3428.35  872.891  2657.93  2016.22   89.505   12.339   75.759   26.541 13.74606 29.26902 
1 1 1   36   12   21 o   99.010   11.176  4185.03  882.740  4569.77  953.667  1883.32  2332.58  103.337   11.564   68.067   27.432 35.27032 29.76973 
1 1 1   36   12   22 o  111.442   10.296  5311.86  921.086  5119.90  1148.39  5658.09  1542.26  107.527   13.447  109.805   17.916 -2.277771 22.40115 
1 1 1   36   14    0 o  259.723   20.593 27770.50  4307.15   0.0000   0.0000 27770.50  4307.15  ?   ?   259.723   20.593 0.000000 20.59284 
1 1 1   36   14    1 o  462.741   34.003 89252.15 12686.53   0.0000   0.0000 89252.15 12686.53  ?   ?   462.741   34.003 0.000000 34.00316 
1 1 1   36   14    2 o  376.589   11.688 57724.50  3574.01 71381.66  7416.79 53594.03  4078.82  416.854   21.990  362.678   13.851 54.17682 25.98887 
1 1 1   36   14    3 o  310.493   11.804 39244.01  2976.02 41680.70  6161.65 38502.63  3398.74  317.776   24.059  307.411   13.616 10.36484 27.64448 
1 1 1   36   14    4 o  239.293   12.039 23372.21  2331.73 18302.90  4349.79 25416.29  2762.11  209.355   26.160  249.374   13.694 -40.01828 29.52687 
1 1 1   36   14    5 o  410.447   16.295 68770.13  5430.50 76901.74  9713.00 65072.42  6549.85  430.909   27.911  398.150   20.328 32.75928 34.52873 
1 1 1   36   14    6 o  476.024   19.326 92747.59  7469.73 95758.61 13260.16 91347.96  9040.65  478.380   34.367  470.879   23.722 7.500671 41.75901 
1 1 1   36   14    7 o  257.796   12.286 27076.79  2571.82 24959.21  4818.75 27920.23  3041.17  245.047   24.549  261.217   14.394 -16.17039 28.45737 
1 1 1   36   14    8 o  395.981   17.753 64170.46  5707.98 51615.20 10276.73 69771.76  6864.14  348.840   36.839  412.353   20.501 -63.51364 42.15947 
1 1 1   36   14    9 o  447.067   19.411 81999.42  7046.20 72968.23 12619.06 86090.86  8493.62  414.159   37.947  456.578   22.984 -42.41885 44.36497 
1 1 1   36   14   10 o   84.141   11.434  2938.35  760.911  595.148  1747.69  3486.41  845.226   58.328   23.661   91.757   11.604 -33.42933 26.35349 
1 1 1   36   14   11 o  296.836   12.071 35958.85  2909.34 37410.16  4135.66 34536.96  4093.52  301.543   16.960  289.571   17.492 11.97147 24.36433 
1 1 1   36   14   12 o  241.328   11.933 23794.70  2338.35 24581.27  4538.64 23510.46  2728.33  242.080   23.381  239.176   14.111 2.904449 27.30959 
1 1 1   36   14   13 o  256.785   10.460 26947.18  2180.82 27340.79  3102.23 26562.62  3066.37  257.370   14.909  253.655   14.954 3.714828 21.11647 
1 1 1   36   14   14 o  109.941   7.3965  4950.61  656.435  5092.27  875.594  4768.82  991.932  111.147   9.8025  107.203   11.580 3.944221 15.17150 
1 1 1   36   14   15 o  132.854   8.6195  7248.06  924.790  9613.11  1296.27  4796.56  1319.75  152.692   10.520  106.329   15.764 46.36283 18.95135 
1 1 1   36   14   16 o  125.577   8.3409  6483.22  845.638  6223.95  1146.48  6792.58  1252.35  122.290   11.688  127.658   12.232 -5.367287 16.91851 
1 1 1   36   14   17 o   49.786   11.362  1064.65  449.168  811.982  518.430  1825.27  899.505   43.985   13.348   64.559   16.945 -20.57365 21.57121 
1 1 1   36   14   18 o   22.141   9.6633 -60.9807  327.842 -254.2856  347.966  1466.75  978.225   20.165   9.2702   58.440   18.441 -38.27549 20.63955 
1 1 1   36   14   19 o  133.214   9.4154  7377.28  1011.86  8541.27  1298.40  5576.92  1614.78  142.676   11.300  112.023   18.391 30.65318 21.58535 
1 1 1   36   14   20 o  102.577   9.4122  4410.77  775.192  3808.97  910.541  5995.76  1477.70   94.254   12.183  116.580   16.035 -22.32648 20.13819 
1 1 1   36   14   21 o   29.462   10.754  308.090  334.652  412.792  350.500 -771.7456  1125.61   32.300   11.080   34.980   16.286 -2.679428 19.69798 
1 1 1   36   14   22 o   47.439   13.422  1026.27  540.227  855.674  555.947  3915.38  2287.91   43.760   13.912   80.573   28.270 -36.81269 31.50790 
1 1 1   36   16    0 o  662.015   32.804 181990.50 17633.26   0.0000   0.0000 181990.50 17633.26  ?   ?   662.015   32.804 0.000000 32.80398 
1 1 1   36   16    1 o  244.168   14.959 24408.50  2951.38   0.0000   0.0000 24408.50  2951.38  ?   ?   244.168   14.959 0.000000 14.95883 
1 1 1   36   16    2 o  289.353   10.861 34076.59  2551.72 35769.26  5462.69 33604.17  2885.93  294.290   23.045  287.233   12.374 7.057465 26.15701 
1 1 1   36   16    3 o  175.095   6.9466 12459.88  987.612 11588.80  1784.67 12844.38  1185.72  168.124   13.179  177.739   8.2160 -9.615402 15.53025 
1 1 1   36   16    4 o  708.435   27.761 207297.20 15968.99 212006.91 28055.25 205040.00 19422.26  702.010   49.537  701.526   34.097 0.4839478 60.13742 
1 1 1   36   16    5 o  724.405   28.946 217262.91 17025.82 211005.30 29884.08 220270.20 20716.90  696.340   53.258  726.070   35.140 -29.73010 63.80658 
1 1 1   36   16    6 o  407.718   17.398 68000.18  5759.73 66872.49 10385.78 68501.07  6921.65  399.466   32.296  408.005   20.964 -8.539124 38.50377 
1 1 1   36   16    7 o  425.111   19.549 74122.79  6747.96 59404.48 12104.10 80760.09  8128.29  372.413   40.691  442.397   22.705 -69.98376 46.59641 
1 1 1   36   16    8 f  519.547   27.570 112306.10 11588.96 104715.80 16673.53 119400.00 16119.06  493.838   41.980  530.277   37.682 -36.43939 56.41156 
1 1 1   36   16    9 o  205.132   10.774 17193.60  1788.32 19838.20  3548.10 16292.98  2070.56  218.736   20.206  199.396   12.857 19.34041 23.94955 
1 1 1   36   16   10 o  210.679   10.970 18147.39  1870.11 23330.21  3844.40 16540.78  2140.44  237.152   20.156  200.784   13.203 36.36742 24.09494 
1 1 1   36   16   11 o   68.806   13.896  2007.15  749.616  1188.33  1900.87  2157.93  815.723   65.258   25.234   71.297   14.582 -6.039642 29.14472 
1 1 1   36   16   12 o  214.857   11.671 18945.90  2028.50 18016.93  4097.49 19247.50  2334.68  205.554   25.069  216.205   13.365 -10.65083 28.40935 
1 1 1   36   16   13 o  235.559   12.410 22855.39  2365.23 24393.08  4948.98 22400.20  2692.64  237.786   26.059  232.642   14.324 5.143845 29.73671 
1 1 1   36   16   14 o  116.402   11.053  5613.27  1032.12  5356.10  3332.62  5640.55  1085.49  108.350   34.015  116.564   11.624 -8.214546 35.94625 
1 1 1   36   16   15 o  177.817   8.3351 12938.88  1203.43 10626.24  1698.91 15267.90  1704.92  159.679   13.222  192.307   10.964 -32.62741 17.17683 
1 1 1   36   16   16 o   37.745   10.346  605.392  326.516  882.389  354.418 -948.9216  839.552   45.460   9.8835   28.697   13.581 16.76393 16.79642 
1 1 1   36   16   17 o  201.516   10.032 16757.98  1641.46 16777.77  2345.91 16738.99  2297.60  199.365   14.593  199.287   14.294 0.7818604E-01 20.42739 
1 1 1   36   16   18 o  115.041   8.6720  5483.10  804.094  4983.68  986.338  6472.71  1388.44  108.868   11.324  123.122   14.145 -14.25365 18.11949 
1 1 1   36   16   19 o  106.100   9.2767  4701.77  791.150  4912.42  939.059  4186.54  1468.61  107.920   10.864   95.685   19.563 12.23509 22.37704 
1 1 1   36   16   20 f  135.537   9.5792  7715.81  1047.42  7770.67  1340.47  7629.80  1678.42  134.524   12.412  130.915   16.131 3.608322 20.35347 
1 1 1   36   16   21 o   37.712   12.493  599.577  445.711  415.938  470.068  2235.06  1402.82   34.120   12.695   66.763   22.165 -32.64213 25.54306 
1 1 1   36   18    0 o  386.326   20.780 61406.37  6494.38   0.0000   0.0000 61406.37  6494.38  ?   ?   386.326   20.780 0.000000 20.77996 
1 1 1   36   18    1 o  387.383   20.980 61756.76  6574.44   0.0000   0.0000 61756.76  6574.44  ?   ?   387.383   20.980 0.000000 20.97979 
1 1 1   36   18    2 o  167.665   11.523 11504.04  1559.26  9965.68  2868.35 12149.33  1857.72  153.888   23.718  172.093   13.400 -18.20499 27.24144 
1 1 1   36   18    3 o   50.266   8.0852  1053.36  318.803  1350.44  1215.03  1031.39  330.378   60.051   20.628   49.664   8.4983 10.38708 22.31000 
1 1 1   36   18    4 o  235.258   12.205 22617.52  2323.33 15091.57  4979.67 24711.63  2626.76  187.322   33.991  245.802   13.210 -58.47977 36.46802 
1 1 1   36   18    5 o  217.987   10.697 19352.48  1893.38 22870.02  3818.48 18205.70  2180.28  235.191   20.191  210.905   12.792 24.28560 23.90239 
1 1 1   36   18    6 o  337.940   15.566 46692.17  4271.15 41665.24  7915.44 48757.06  5073.09  314.434   31.424  344.422   18.205 -29.98734 36.31652 
1 1 1   36   18    7 o  483.512   25.373 97068.80  9926.70 100373.00 14323.67 94015.30 13769.65  485.981   36.567  470.394   36.333 15.58649 51.54856 
1 1 1   36   18    8 o  228.034   12.064 21273.89  2225.83 20584.51  4469.59 21501.24  2566.74  221.430   25.314  228.972   13.871 -7.542419 28.86576 
1 1 1   36   18    9 o  166.173   10.863 11309.28  1457.71 11132.08  3178.91 11356.47  1640.34  161.895   24.987  166.327   12.232 -4.432785 27.82037 
1 1 1   36   18   10 o  585.779   25.044 143399.91 11911.81 134399.91 21328.70 147479.59 14360.00  544.382   48.770  589.669   30.092 -45.28638 57.30653 
1 1 1   36   18   11 o  177.321   11.294 12914.77  1617.70 12726.24  3946.44 12952.84  1773.55  170.510   29.577  177.375   12.392 -6.865326 32.06820 
1 1 1   36   18   12 o  146.943   11.135  8899.65  1318.63  6700.75  3228.43  9339.93  1444.63  121.467   32.209  150.391   11.928 -28.92361 34.34674 
1 1 1   36   18   13 o  269.094   12.945 29867.23  2828.38 38820.14  5867.89 27157.65  3228.13  300.087   24.291  255.229   15.653 44.85785 28.89697 
1 1 1   36   18   14 o   39.692   15.420  426.156  712.376  1215.55  2549.55  359.308  741.926   70.309   28.558   39.278   15.591 31.03066 32.53716 
1 1 1   36   18   15 o   59.165   17.616  1504.59  909.296  2460.60  3665.35  1441.90  938.637   85.879   34.466   58.241   18.014 27.63820 38.88943 
1 1 1   36   18   16 o  170.792   12.465 12192.38  1716.74 16107.75  5096.02 11691.15  1823.32  179.686   36.180  166.780   13.582 12.90593 38.64540 
1 1 1   36   18   17 o   61.278   18.755  1646.10  1020.50  476.017  4449.27  1711.08  1048.45   77.965   34.740   62.368   18.995 15.59669 39.59351 
1 1 1   36   18   18 f   39.226   16.391  210.088  872.194  941.380  4839.94  185.543  886.711   79.684   35.815   39.217   16.466 40.46751 39.41903 
1 1 1   36   18   19 o   63.464   20.839  1843.57  1241.25   0.0000   0.0000  1843.57  1241.25  ?   ?    63.464   20.839 0.000000 20.83911 
1 1 1   36   18   20 o   72.183   21.825  2590.49  1387.86   0.0000   0.0000  2590.49  1387.86  ?   ?    72.183   21.825 0.000000 21.82522 
1 1 1   36   18   21 o   42.241   19.151 -205.1560  1419.18   0.0000   0.0000 -205.1560  1419.18  ?   ?    42.241   19.151 0.000000 19.15110 
1 1 1   36   20    0 o  157.992   13.348 10258.05  1696.29   0.0000   0.0000 10258.05  1696.29  ?   ?   157.992   13.348 0.000000 13.34787 
1 1 1   36   20    1 o  163.185   13.799 10947.32  1811.23   0.0000   0.0000 10947.32  1811.23  ?   ?   163.185   13.799 0.000000 13.79898 
1 1 1   36   20    2 o  193.938   14.785 15455.56  2310.67   0.0000   0.0000 15455.56  2310.67  ?   ?   193.938   14.785 0.000000 14.78501 
1 1 1   36   20    3 o  539.040   23.353 119900.60 10221.40 116007.70 17888.34 121787.80 12454.93  518.937   42.837  540.450   28.483 -21.51349 51.44185 
1 1 1   36   20    4 o  612.445   22.659 154713.59 11267.95 146980.30 22963.52 157166.00 12931.82  578.527   49.357  615.815   25.863 -37.28766 55.72260 
1 1 1   36   20    5 o  264.853   11.802 28607.59  2538.01 34448.96  5103.66 26688.41  2925.38  288.241   21.972  255.173   14.175 33.06734 26.14773 
1 1 1   36   20    6 o  640.938   33.098 173492.50 17166.15 178780.30 24612.18 168483.70 23954.38  637.436   47.903  618.564   48.071 18.87183 67.86421 
1 1 1   36   20    7 f  181.059   10.562 13410.16  1545.99 15241.52  3393.73 12930.60  1736.65  190.740   22.336  177.567   12.118 13.17372 25.41090 
1 1 1   36   20    8 o  320.950   14.317 42191.37  3731.11 44895.39  7237.06 41212.45  4354.41  326.161   27.586  316.190   17.023 9.970825 32.41546 
1 1 1   36   20    9 o  245.986   13.080 24853.83  2603.16 21669.44  5250.28 25891.82  2997.55  224.304   29.547  250.684   14.792 -26.37982 33.04255 
1 1 1   36   20   10 o   91.491   12.752  3498.79  921.532  2673.52  2690.36  3608.49  980.868   84.439   30.543   92.805   13.405 -8.366142 33.35495 
1 1 1   36   20   11 o   77.768   13.554  2561.47  824.778  8960.79  3065.72  2062.16  856.351  142.147   27.556   69.255   15.603 72.89246 31.66724 
1 1 1   36   20   12 o  159.886   11.541 10566.47  1488.27  8312.08  3808.64 10972.73  1616.82  132.922   34.858  162.745   12.327 -29.82278 36.97380 
1 1 1   36   20   13 o   96.144   13.367  3898.01  1015.27  6623.07  3649.51  3669.42  1057.00  117.820   35.340   92.938   14.479 24.88271 38.19069 
1 1 1   36   20   14 o  261.791   13.843 28611.70  2932.13 31505.71  6412.67 27846.71  3296.96  261.324   30.814  257.153   15.868 4.170563 34.65988 
1 1 1   36   20   15 o  132.542   13.105  7389.08  1391.88  6026.17  4489.21  7534.04  1464.03  109.800   39.489  133.641   13.685 -23.84082 41.79329 
1 1 1   36   20   16 o   39.927   16.395  279.780  851.903  2929.06  3576.54  120.432  877.149   85.669   34.161   38.570   16.296 47.09966 37.84874 
1 1 1   36   20   17 o   49.179   18.577  842.406  1014.39 -6719.3579  5132.22  1149.82  1034.80   61.442   30.137   53.563   18.991 7.878998 35.62146 
1 1 1   36   20   18 o   60.627   19.290  1658.93  1068.69   0.0000   0.0000  1658.93  1068.69  ?   ?    60.627   19.290 0.000000 19.28976 
1 1 1   36   20   19 o   95.105   17.705  4182.12  1316.89   0.0000   0.0000  4182.12  1316.89  ?   ?    95.105   17.705 0.000000 17.70478 
1 1 1   36   20   20 o   74.265   22.479  2888.72  1471.69   0.0000   0.0000  2888.72  1471.69  ?   ?    74.265   22.479 0.000000 22.47916 
1 1 1   36   22    0 o  300.593   18.377 37251.68  4463.75   0.0000   0.0000 37251.68  4463.75  ?   ?   300.593   18.377 0.000000 18.37698 
1 1 1   36   22    1 o  367.908   21.013 55976.14  6251.05   0.0000   0.0000 55976.14  6251.05  ?   ?   367.908   21.013 0.000000 21.01262 
1 1 1   36   22    2 o  181.764   15.456 13621.54  2259.49   0.0000   0.0000 13621.54  2259.49  ?   ?   181.764   15.456 0.000000 15.45629 
1 1 1   36   22    3 f  269.056   15.228 29728.79  3313.14 26252.57  5979.35 31268.92  3979.97  248.558   30.251  275.369   17.897 -26.81100 35.14872 
1 1 1   36   22    4 o  470.265   20.574 91222.42  7856.09 78556.34 16308.45 95049.80  8964.81  419.321   48.813  479.067   23.047 -59.74643 53.97982 
1 1 1   36   22    5 o  243.087   14.839 24292.14  2914.97 26083.50  5235.39 23487.30  3509.22  248.728   26.323  238.244   18.280 10.48402 32.04781 
1 1 1   36   22    6 o  184.947   10.948 14009.79  1636.81 14854.51  3818.11 13819.59  1811.74  186.893   25.853  183.483   12.231 3.410004 28.59985 
1 1 1   36   22    7 o  188.410   10.615 14541.17  1617.30 17091.90  3756.13 13960.65  1791.91  201.095   23.444  184.362   12.036 16.73317 26.35319 
1 1 1   36   22    8 o  178.565   10.719 13083.91  1546.91 20067.05  4174.94 11972.65  1665.45  217.239   24.073  170.530   12.107 46.70894 26.94629 
1 1 1   36   22    9 o  146.948   11.139  8898.47  1319.19 10027.12  3911.11  8753.58  1401.31  148.521   33.259  145.575   11.961 2.945862 35.34467 
1 1 1   36   22   10 o   66.767   14.135  1909.59  742.431  7652.31  3227.07  1588.65  762.896  129.398   31.100   60.749   15.435 68.64917 34.71955 
1 1 1   36   22   11 o  252.479   13.375 26433.57  2732.07 30977.67  6374.83 25411.16  3023.84  262.524   30.473  246.798   15.163 15.72575 34.03710 
1 1 1   36   22   12 o  179.022   12.375 13310.55  1787.80 13995.31  5049.38 13212.40  1911.63  169.345   37.692  178.042   13.320 -8.697083 39.97660 
1 1 1   36   22   13 o  140.555   13.126  8277.83  1480.63  5268.89  4703.48  8608.81  1559.94  106.745   40.069  143.207   13.578 -36.46178 42.30724 
1 1 1   36   22   14 o   59.744   18.038  1546.06  948.458 -3180.1230  4304.79  1787.19  972.352   65.449   30.906   63.771   17.995 1.678017 35.76292 
1 1 1   36   22   15 o   55.376   18.347  1285.46  961.312 -2795.7881  3870.57  1553.76  992.407   61.965   29.274   59.748   18.530 2.217026 34.64623 
1 1 1   36   22   16 o   47.380   18.373  705.581  1009.97 -1862.9390  5013.70  814.217  1031.11   71.962   33.786   49.017   18.678 22.94516 38.60475 
1 1 1   36   22   17 o   37.356   16.131   19.549  893.728   0.0000   0.0000   19.549  893.728  ?   ?    37.356   16.131 0.000000 16.13061 
1 1 1   36   22   18 o   72.894   19.630  2537.68  1187.79   0.0000   0.0000  2537.68  1187.79  ?   ?    72.894   19.630 0.000000 19.63042 
1 1 1   36   22   19 o   70.773   21.644  2555.04  1359.39   0.0000   0.0000  2555.04  1359.39  ?   ?    70.773   21.644 0.000000 21.64413 
1 1 1   36   24    0 o  439.193   24.501 80629.22  8702.60   0.0000   0.0000 80629.22  8702.60  ?   ?   439.193   24.501 0.000000 24.50128 
1 1 1   36   24    1 o  290.146   18.611 34843.11  4361.51   0.0000   0.0000 34843.11  4361.51  ?   ?   290.146   18.611 0.000000 18.61143 
1 1 1   36   24    2 o  487.237   27.043 99895.35 10656.63   0.0000   0.0000 99895.35 10656.63  ?   ?   487.237   27.043 0.000000 27.04277 
1 1 1   36   24    3 o  330.410   20.396 45374.91  5445.04   0.0000   0.0000 45374.91  5445.04  ?   ?   330.410   20.396 0.000000 20.39565 
1 1 1   36   24    4 o   81.574   17.579  2847.47  1130.04  5255.76  2096.01  1860.60  1341.74  110.094   24.114   67.528   21.628 42.56635 32.39235 
1 1 1   36   24    5 o  207.271   13.367 17694.79  2237.69 13413.20  5709.12 18471.94  2432.31  170.242   41.644  211.592   14.240 -41.34966 44.01185 
1 1 1   36   24    6 o  239.682   12.732 23641.23  2469.01 21493.21  6096.73 24062.62  2700.36  218.886   35.521  241.525   13.827 -22.63925 38.11760 
1 1 1   36   24    7 o  274.803   12.239 31016.54  2730.87 44177.96  6147.93 27781.37  3048.08  322.160   23.669  259.073   14.549 63.08652 27.78247 
1 1 1   36   24    8 o  199.871   11.647 16469.93  1882.06 25459.06  5132.21 15073.24  2023.00  241.673   26.594  190.777   13.140 50.89511 29.66308 
1 1 1   36   24    9 o  201.702   12.344 16833.84  2011.96 19450.05  5427.75 16417.10  2166.28  205.498   33.698  198.815   13.499 6.683060 36.30095 
1 1 1   36   24   10 o  318.351   15.486 42280.86  4002.86 46082.40  8701.91 41260.57  4508.14  314.785   34.618  312.674   17.831 2.111511 38.93989 
1 1 1   36   24   11 o   68.029   15.069  2005.87  810.441  7119.37  3391.36  1696.16  834.623  121.674   33.340   62.424   16.293 59.24937 37.10770 
1 1 1   36   24   12 o   65.463   17.001  1880.14  911.747 -4748.1260  4420.59  2174.63  931.781   62.569   30.035   70.436   16.569 -7.867382 34.30252 
1 1 1   36   24   13 o  232.646   14.176 22794.11  2665.07 22911.51  7273.96 22775.91  2864.24  203.075   45.269  231.870   15.299 -28.79559 47.78482 
1 1 1   36   24   14 o   47.797   18.046  772.513  956.970 -3138.3450  4211.76  985.407  982.672   63.623   30.199   51.029   18.459 12.59374 35.39331 
1 1 1   36   24   15 o   54.556   19.186  1214.10  1054.10 -2395.4360  5597.14  1346.83  1073.31   73.692   34.930   56.572   19.390 17.12052 39.95103 
1 1 1   36   24   16 o   25.548   12.444 -1394.8390  831.200   0.0000   0.0000 -1394.8390  831.200  ?   ?    25.548   12.444 0.000000 12.44377 
1 1 1   36   24   17 o   60.138   20.541  1659.23  1204.54   0.0000   0.0000  1659.23  1204.54  ?   ?    60.138   20.541 0.000000 20.54149 
1 1 1   36   24   18 o   91.440   19.256  4058.50  1384.54   0.0000   0.0000  4058.50  1384.54  ?   ?    91.440   19.256 0.000000 19.25640 
1 1 1   36   26    0 o  245.579   18.146 25146.31  3592.63   0.0000   0.0000 25146.31  3592.63  ?   ?   245.579   18.146 0.000000 18.14554 
1 1 1   36   26    1 o  313.587   20.331 41195.82  5148.88   0.0000   0.0000 41195.82  5148.88  ?   ?   313.587   20.331 0.000000 20.33119 
1 1 1   36   26    2 o  223.320   18.232 20849.82  3277.04   0.0000   0.0000 20849.82  3277.04  ?   ?   223.320   18.232 0.000000 18.23152 
1 1 1   36   26    3 f  246.991   18.743 25555.67  3730.80   0.0000   0.0000 25555.67  3730.80  ?   ?   246.991   18.743 0.000000 18.74271 
1 1 1   36   26    4 o  200.075   15.267 16650.75  2461.40 20268.08  4988.76 15486.84  2829.81  214.431   29.429  191.877   18.389 22.55399 34.70153 
1 1 1   36   26    5 o  464.561   17.416 89991.88  6569.63 105487.70 14287.22 85836.93  7398.15  480.434   36.907  451.680   20.172 28.75363 42.05997 
1 1 1   36   26    6 o  410.199   16.295 70092.81  5427.27 82994.69 12117.92 66855.45  6070.10  425.804   35.370  398.984   18.737 26.81946 40.02600 
1 1 1   36   26    7 o   61.444   11.646  1604.51  559.734  3788.22  3628.55  1551.28  566.515   95.945   35.353   60.329   11.987 35.61609 37.33002 
1 1 1   36   26    8 o   87.777   11.321  3225.14  788.054  7525.99  4399.98  3082.61  801.006  123.847   39.113   85.667   11.831 38.18011 40.86283 
1 1 1   36   26    9 o  130.326   12.054  7081.97  1261.06   78.749  5059.48  7545.86  1302.16   83.608   37.163  134.561   12.045 -50.95295 39.06623 
1 1 1   36   26   10 o   56.612   15.154  1390.75  710.356 -853.2422  4570.88  1446.29  719.093   75.900   34.394   57.691   15.155 18.20829 37.58507 
1 1 1   36   26   11 o  165.943   13.015 11549.48  1739.57  7143.95  6053.20 11946.08  1816.19  116.612   45.048  168.636   13.374 -52.02365 46.99107 
1 1 1   36   26   12 o  167.916   12.558 11836.98  1699.83 15432.47  5684.25 11483.87  1781.34  167.152   41.948  164.999   13.412 2.153152 44.04019 
1 1 1   36   26   13 o   54.853   17.916  1280.68  917.906  2017.62  4700.65  1251.46  935.924   84.655   36.773   54.494   18.105 30.16049 40.98851 
1 1 1   36   26   14 o   58.531   19.408  1491.43  1075.62  231.299  6476.10  1527.18  1090.77   83.752   39.018   59.121   19.541 24.63055 43.63742 
1 1 1   36   26   15 o  117.223   17.885  6206.61  1648.41   0.0000   0.0000  6206.61  1648.41  ?   ?   117.223   17.885 0.000000 17.88496 
1 1 1   36   26   16 o   43.916   18.226  431.554  1068.02   0.0000   0.0000  431.554  1068.02  ?   ?    43.916   18.226 0.000000 18.22647 
1 1 1   36   26   17 o   72.790   21.751  2720.01  1384.42   0.0000   0.0000  2720.01  1384.42  ?   ?    72.790   21.751 0.000000 21.75096 
1 1 1   36   28    0 o   67.158   20.618  1924.48  1232.19   0.0000   0.0000  1924.48  1232.19  ?   ?    67.158   20.618 0.000000 20.61796 
1 1 1   36   28    1 o  206.478   18.279 18034.56  3032.86   0.0000   0.0000 18034.56  3032.86  ?   ?   206.478   18.279 0.000000 18.27896 
1 1 1   36   28    2 o  317.380   21.645 43103.07  5544.68   0.0000   0.0000 43103.07  5544.68  ?   ?   317.380   21.645 0.000000 21.64500 
1 1 1   36   28    3 o  283.168   20.641 34236.20  4713.17   0.0000   0.0000 34236.20  4713.17  ?   ?   283.168   20.641 0.000000 20.64100 
1 1 1   36   28    4 o  179.011   19.698 13729.65  2815.75   0.0000   0.0000 13729.65  2815.75  ?   ?   179.011   19.698 0.000000 19.69794 
1 1 1   36   28    5 o  198.315   10.472 16222.64  1680.27 25127.31  5362.24 15253.08  1769.38  236.183   28.540  192.000   11.401 44.18321 30.73307 
1 1 1   36   28    6 o  197.734   10.926 16165.20  1747.36 24706.54  5847.58 15327.75  1831.02  230.478   32.120  192.244   11.787 38.23424 34.21441 
1 1 1   36   28    7 o   89.410   10.557  3339.15  751.608  9387.11  3997.97  3117.57  765.253  137.951   35.489   86.199   11.198 51.75179 37.21362 
1 1 1   36   28    8 o  171.776   10.727 12231.68  1488.67 21284.50  5206.13 11425.56  1553.54  212.785   31.047  165.700   11.620 47.08566 33.15016 
1 1 1   36   28    9 o  119.781   11.899  6014.60  1141.92  7236.20  5150.91  5951.46  1171.06  116.798   42.259  119.019   12.295 -2.220871 44.01140 
1 1 1   36   28   10 o   24.470   11.317 -418.1284  529.967  960.250  5564.49 -430.7459  532.387   86.449   38.661   24.421   11.312 62.02737 40.28173 
1 1 1   36   28   11 o   51.502   17.111  1104.33  835.988  5805.19  6136.12  1015.42  843.856  105.579   43.742   50.106   17.192 55.47311 46.99945 
1 1 1   36   28   12 o   41.471   17.085  319.228  928.821 -1705.5170  5317.22  382.955  943.325   73.871   34.717   42.449   17.321 31.42162 38.79837 
1 1 1   36   28   13 o   35.616   15.789 -193.0499  907.463   0.0000   0.0000 -193.0499  907.463  ?   ?    35.616   15.789 0.000000 15.78902 
1 1 1   36   28   14 o   45.876   18.186  647.667  1008.07   0.0000   0.0000  647.667  1008.07  ?   ?    45.876   18.186 0.000000 18.18557 
1 1 1   36   28   15 o  122.046   17.634  6879.27  1696.78   0.0000   0.0000  6879.27  1696.78  ?   ?   122.046   17.634 0.000000 17.63378 
1 1 1   36   28   16 o   83.489   21.942  3622.25  1506.92   0.0000   0.0000  3622.25  1506.92  ?   ?    83.489   21.942 0.000000 21.94176 
1 1 1   36   30    0 f  197.743   32.807 18546.58  5082.92   0.0000   0.0000 18546.58  5082.92  ?   ?   197.743   32.807 0.000000 32.80721 
1 1 1   36   30    1 o  165.936   31.934 13053.45  4146.47   0.0000   0.0000 13053.45  4146.47  ?   ?   165.936   31.934 0.000000 31.93422 
1 1 1   36   30    2 o  217.692   30.179 21978.42  5190.94   0.0000   0.0000 21978.42  5190.94  ?   ?   217.692   30.179 0.000000 30.17918 
1 1 1   36   30    3 o  137.165   34.358  9251.72  3818.47   0.0000   0.0000  9251.72  3818.47  ?   ?   137.165   34.358 0.000000 34.35841 
1 1 1   36   30    4 o  221.411   31.383 23103.26  5484.03   0.0000   0.0000 23103.26  5484.03  ?   ?   221.411   31.383 0.000000 31.38278 
1 1 1   36   30    5 o  453.775   25.142 92153.88  9227.26 101795.70 17159.57 88231.78 10944.24  421.198   51.229  433.113   31.332 -11.91516 60.05114 
1 1 1   36   30    6 o  429.311   15.673 77897.79  5463.34 95503.73 13505.46 74452.98  5973.96  433.007   38.825  417.543   17.621 15.46295 42.63672 
1 1 1   36   30    7 o  105.964   10.884  4700.42  923.114 -44.4702  6017.60  4814.77  934.171   85.658   39.066  107.259   10.877 -21.60084 40.55235 
1 1 1   36   30    8 o   62.962   12.235  1708.23  602.954 -6179.7690  5942.35  1790.28  606.083   69.181   33.599   64.553   12.005 4.628471 35.67970 
1 1 1   36   30    9 o   76.993   13.426  2562.49  808.820 -274.0514  6347.38  2609.31  815.467   84.257   39.039   77.717   13.407 6.539680 41.27705 
1 1 1   36   30   10 o   54.738   16.025  1319.99  757.781 -621.7126  7433.75  1340.38  761.749   85.998   40.611   55.123   16.047 30.87475 43.66606 
1 1 1   36   30   11 o   81.758   15.551  2967.79  994.611  9611.72  6747.79  2820.24  1005.59  114.733   46.510   79.405   16.147 35.32740 49.23309 
1 1 1   36   30   12 o   51.142   18.145  1081.78  944.815   0.0000   0.0000  1081.78  944.815  ?   ?    51.142   18.145 0.000000 18.14542 
1 1 1   36   30   13 f  121.698   16.012  6658.60  1543.81   0.0000   0.0000  6658.60  1543.81  ?   ?   121.698   16.012 0.000000 16.01208 
1 1 1   36   30   14 o   47.596   18.798  810.166  1073.36   0.0000   0.0000  810.166  1073.36  ?   ?    47.596   18.798 0.000000 18.79761 
1 1 1   36   30   15 o   70.622   24.368  2784.69  1696.45   0.0000   0.0000  2784.69  1696.45  ?   ?    70.622   24.368 0.000000 24.36783 
1 1 1   36   32    0 f  234.345   22.613 24573.14  4249.43   0.0000   0.0000 24573.14  4249.43  ?   ?   234.345   22.613 0.000000 22.61323 
1 1 1   36   32    1 o   90.309   29.649  3882.46  2512.62   0.0000   0.0000  3882.46  2512.62  ?   ?    90.309   29.649 0.000000 29.64894 
1 1 1   36   32    2 o  169.891   24.780 13235.69  3317.73   0.0000   0.0000 13235.69  3317.73  ?   ?   169.891   24.780 0.000000 24.78043 
1 1 1   36   32    3 o  301.299   25.837 41745.04  6259.67   0.0000   0.0000 41745.04  6259.67  ?   ?   301.299   25.837 0.000000 25.83666 
1 1 1   36   32    4 o   69.356   27.605  1636.52  2331.50   0.0000   0.0000  1636.52  2331.50  ?   ?    69.356   27.605 0.000000 27.60493 
1 1 1   36   32    5 o  179.673   26.992 15253.47  3816.11   0.0000   0.0000 15253.47  3816.11  ?   ?   179.673   26.992 0.000000 26.99209 
1 1 1   36   32    6 o  357.650   15.981 54835.23  4640.79 83028.48 13313.24 50935.59  4951.35  379.062   44.078  342.049   17.890 37.01266 47.57000 
1 1 1   36   32    7 o  260.827   12.918 28701.67  2735.74 48329.62 10052.49 27131.68  2843.05  284.697   44.980  252.499   13.921 32.19818 47.08531 
1 1 1   36   32    8 o   99.022   11.395  4161.01  899.507  8905.62  6772.90  4075.82  907.547  113.096   46.310   97.898   11.646 15.19833 47.75228 
1 1 1   36   32    9 o  102.989   12.568  4555.23  1029.16   0.0000   0.0000  4555.23  1029.16  ?   ?   102.989   12.568 0.000000 12.56773 
1 1 1   36   32   10 o   95.562   15.148  4053.82  1136.20   0.0000   0.0000  4053.82  1136.20  ?   ?    95.562   15.148 0.000000 15.14836 
1 1 1   36   32   11 f   45.768   17.202  789.564  867.346   0.0000   0.0000  789.564  867.346  ?   ?    45.768   17.202 0.000000 17.20152 
1 1 1   36   32   12 o   23.770   11.592 -1208.8550  727.380   0.0000   0.0000 -1208.8550  727.380  ?   ?    23.770   11.592 0.000000 11.59167 
1 1 1   36   32   13 o   42.825   17.706  505.400  1002.31   0.0000   0.0000  505.400  1002.31  ?   ?    42.825   17.706 0.000000 17.70568 
1 1 1   36   34    0 o   98.100   29.543  4924.09  2546.71   0.0000   0.0000  4924.09  2546.71  ?   ?    98.100   29.543 0.000000 29.54320 
1 1 1   36   34    1 o  215.310   27.119 22400.35  4635.85   0.0000   0.0000 22400.35  4635.85  ?   ?   215.310   27.119 0.000000 27.11874 
1 1 1   36   34    2 o   79.980   30.423  2940.65  2732.60   0.0000   0.0000  2940.65  2732.60  ?   ?    79.980   30.423 0.000000 30.42295 
1 1 1   36   34    3 o  131.238   33.714  9316.52  3611.60   0.0000   0.0000  9316.52  3611.60  ?   ?   131.238   33.714 0.000000 33.71351 
1 1 1   36   34    4 o   64.344   27.694  847.406  2617.11   0.0000   0.0000  847.406  2617.11  ?   ?    64.344   27.694 0.000000 27.69404 
1 1 1   36   34    5 o   64.341   27.861  820.304  2681.38   0.0000   0.0000  820.304  2681.38  ?   ?    64.341   27.861 0.000000 27.86103 
1 1 1   36   34    6 o  104.501   10.740  4628.38  898.355   0.0000   0.0000  4628.38  898.355  ?   ?   104.501   10.740 0.000000 10.74025 
1 1 1   36   34    7 o   29.382   10.654  307.500  327.648   0.0000   0.0000  307.500  327.648  ?   ?    29.382   10.654 0.000000 10.65399 
1 1 1   36   34    8 o   33.034   12.365  371.104  447.290   0.0000   0.0000  371.104  447.290  ?   ?    33.034   12.365 0.000000 12.36509 
1 1 1   36   34    9 o   32.463   12.701  307.240  485.892   0.0000   0.0000  307.240  485.892  ?   ?    32.463   12.701 0.000000 12.70064 
1 1 1   36   34   10 o   42.755   15.596  735.201  703.662   0.0000   0.0000  735.201  703.662  ?   ?    42.755   15.596 0.000000 15.59627 
1 1 1   36   34   11 o   90.478   16.286  3856.09  1152.47   0.0000   0.0000  3856.09  1152.47  ?   ?    90.478   16.286 0.000000 16.28620 
1 1 1   36   36    0 o   84.931   32.298  4032.32  3079.40   0.0000   0.0000  4032.32  3079.40  ?   ?    84.931   32.298 0.000000 32.29829 
1 1 1   36   36    1 o  105.398   34.613  6794.29  3424.32   0.0000   0.0000  6794.29  3424.32  ?   ?   105.398   34.613 0.000000 34.61295 
1 1 1   36   36    2 f   89.775   32.489  4683.56  3044.73   0.0000   0.0000  4683.56  3044.73  ?   ?    89.775   32.489 0.000000 32.48899 
1 1 1   36   36    3 o  124.919   36.831  9958.56  3990.24   0.0000   0.0000  9958.56  3990.24  ?   ?   124.919   36.831 0.000000 36.83072 
1 1 1   36   36    4 o   70.223   30.727  1761.57  3333.82   0.0000   0.0000  1761.57  3333.82  ?   ?    70.223   30.727 0.000000 30.72712 
1 1 1   36   36    5 f   44.901   21.969 -3456.5171  2676.00   0.0000   0.0000 -3456.5171  2676.00  ?   ?    44.901   21.969 0.000000 21.96858 
1 1 1   36   36    6 o   19.321   8.7674 -158.0726  298.241   0.0000   0.0000 -158.0726  298.241  ?   ?    19.321   8.7674 0.000000 8.767388 
1 1 1   36   36    7 o   92.862   11.212  3750.14  828.286   0.0000   0.0000  3750.14  828.286  ?   ?    92.862   11.212 0.000000 11.21207 
1 1 1   36   36    8 o   52.189   13.147  1248.09  556.855   0.0000   0.0000  1248.09  556.855  ?   ?    52.189   13.147 0.000000 13.14730 
1 1 1   36   36    9 o   52.638   14.276  1301.87  625.596   0.0000   0.0000  1301.87  625.596  ?   ?    52.638   14.276 0.000000 14.27623 
1 1 1   36   38    0 o   86.750   35.455  5949.90  3960.35   0.0000   0.0000  5949.90  3960.35  ?   ?    86.750   35.455 0.000000 35.45478 
1 1 1   36   38    1 o   55.115   26.060 -670.5643  3078.61   0.0000   0.0000 -670.5643  3078.61  ?   ?    55.115   26.060 0.000000 26.05964 
1 1 1   36   38    2 o   61.803   28.840  581.873  3561.66   0.0000   0.0000  581.873  3561.66  ?   ?    61.803   28.840 0.000000 28.84030 
1 1 1   36   38    3 o   82.508   35.214  5560.60  4167.53   0.0000   0.0000  5560.60  4167.53  ?   ?    82.508   35.214 0.000000 35.21424 
1 1 1   36   38    4 o   60.578   28.501  498.793  3599.90   0.0000   0.0000  498.793  3599.90  ?   ?    60.578   28.501 0.000000 28.50079 
1 1 1   36   38    5 o   87.487   37.142  7711.05  4592.10   0.0000   0.0000  7711.05  4592.10  ?   ?    87.487   37.142 0.000000 37.14186 
1 1 1   36   38    6 o   66.722   11.406  1997.66  595.705   0.0000   0.0000  1997.66  595.705  ?   ?    66.722   11.406 0.000000 11.40555 
1 1 1   37    1    0 o  815.272   39.426 272297.50 26098.97 283379.50 36909.88 261216.00 36909.16  826.349   55.330  792.455   57.759 33.89343 79.98428 
1 1 1   37    1    1 o  704.101   34.099 202645.50 19494.46 194409.80 27554.90 210898.59 27583.79  685.272   49.864  714.421   47.827 -29.14850 69.09318 
1 1 1   37    1    2 f  1071.18   36.510 469616.31 31755.56 457405.91 44899.89 481836.81 44918.40  1052.65   52.532  1080.85   51.183 -28.19861 73.34350 
1 1 1   37    1    3 o  835.981   28.684 285273.41 19470.56 271109.00 27522.35 299464.91 27548.72  811.425   41.916  854.402   39.710 -42.97675 57.73975 
1 1 1   37    1    4 o  494.483   17.959 99517.25  7210.51 99368.57 10192.91 99666.19 10201.51  492.830   25.560  493.571   25.543 -0.7409058 36.13483 
1 1 1   37    1    5 o  551.826   22.566 124244.10 10111.01 121167.80 17598.53 125759.90 12353.43  540.570   40.386  554.524   27.437 -13.95410 48.82434 
1 1 1   37    1    6 o  236.914   10.887 22820.90  2094.33 23827.76  3723.00 22354.77  2533.15  240.955   19.188  234.013   13.387 6.941849 23.39664 
1 1 1   37    1    7 o  270.614   15.167 29928.34  3319.20   0.0000   0.0000 29928.34  3319.20  ?   ?   270.614   15.167 0.000000 15.16694 
1 1 1   37    1    8 o  297.057   23.337 36373.63  5583.47 36373.63  5583.47   0.0000   0.0000  297.057   23.337  ?   ?  0.000000 23.33651 
1 1 1   37    1    9 o  608.238   29.883 152684.41 14758.38 152684.41 14758.38   0.0000   0.0000  608.238   29.883  ?   ?  0.000000 29.88318 
1 1 1   37    1   10 o  312.336   23.177 40255.37  5836.02 40255.37  5836.02   0.0000   0.0000  312.336   23.177  ?   ?  0.000000 23.17735 
1 1 1   37    1   11 o  206.642   12.221 17456.10  2041.42 15061.08  2778.02 20267.61  3009.90  191.043   18.126  222.083   16.816 -31.04004 24.72512 
1 1 1   37    1   12 o  639.227   25.398 168707.50 13182.31 165174.30 22736.19 170496.70 16179.32  619.781   45.497  639.924   31.138 -20.14355 55.13261 
1 1 1   37    1   13 o  637.317   22.458 167419.59 11621.60 167583.20 16444.26 167256.41 16426.60  631.916   32.155  631.300   32.152 0.6163330 45.47245 
1 1 1   37    1   14 o  221.937   9.7093 20067.56  1749.67 21100.29  2481.20 19046.07  2467.66  226.805   13.535  215.328   14.193 11.47691 19.61247 
1 1 1   37    1   15 o  289.964   11.601 34372.70  2731.42 33963.67  3878.82 34775.06  3847.01  286.696   16.735  290.214   16.393 -3.518005 23.42607 
1 1 1   37    1   16 f  196.303   9.5535 15748.82  1522.75 15941.45  2162.59 15559.40  2144.52  196.371   13.648  193.978   13.704 2.392914 19.34059 
1 1 1   37    1   17 o  118.731   9.3707  5805.58  896.052  6668.36  1273.12  4958.64  1261.38  126.631   12.547  108.492   14.697 18.13983 19.32462 
1 1 1   37    1   18 o   79.811   11.339  2674.64  714.130  3377.77  1050.57  2070.68  973.669   88.903   15.093   68.901   17.400 20.00172 23.03403 
1 1 1   37    1   19 o  196.152   9.9532 15881.08  1580.04 15680.84  2239.08 16079.68  2229.97  193.203   14.376  195.770   14.123 -2.566879 20.15294 
1 1 1   37    1   20 o   43.962   15.449  737.305  683.338  727.724  979.262  746.398  954.004   47.630   18.190   47.545   18.002 0.8451843E-01 25.59166 
1 1 1   37    1   21 o   81.369   12.788  2847.18  817.032  3093.79  1088.75  2529.27  1236.15   83.437   16.654   74.276   20.036 9.161247 26.05366 
1 1 1   37    1   22 o   49.259   15.557  1059.08  696.099  1089.38  956.406  1024.96  1015.08   51.397   18.254   50.967   18.711 0.4295120 26.14026 
1 1 1   37    1   23 o  162.241   11.159 11284.03  1461.03 10438.35  2022.61 12206.78  2112.76  151.154   16.762  164.292   16.042 -13.13795 23.20193 
1 1 1   37    3    0 o  1435.42   69.957 861021.31 81535.68 934078.81 115304.00 787951.50 115313.70  1473.29   96.928  1344.88  106.469 128.4120 143.9815 
1 1 1   37    3    1 o  962.978   46.866 381483.50 36644.67 408819.50 51770.18 354034.69 51876.77  989.031   64.825  917.828   70.141 71.20282 95.50941 
1 1 1   37    3    2 o  634.093   25.379 163900.30 13066.86 167126.70 22677.46 162296.70 15987.73  636.216   44.172  630.325   31.238 5.891724 54.10190 
1 1 1   37    3    3 o  502.527   20.355 102821.00  8305.53 101746.50 14434.73 103352.80 10154.92  497.104   36.006  503.469   24.841 -6.365601 43.74359 
1 1 1   37    3    4 o  328.762   14.287 43955.18  3813.81 39331.23  6696.12 46175.38  4639.94  309.165   26.944  336.412   17.042 -27.24698 31.88094 
1 1 1   37    3    5 o  368.122   19.124 55375.57  5696.47 54004.42  8167.60 56674.30  7948.91  362.174   27.991  371.327   26.539 -9.152283 38.57243 
1 1 1   37    3    6 o  149.139   9.6700  9079.07  1164.68  9031.82  1617.37  9129.95  1678.54  148.357   13.577  149.114   14.028 -0.7568970 19.52271 
1 1 1   37    3    7 o  586.750   23.206 140959.50 11055.84 149798.20 13562.97 123455.80 19086.44  603.794   27.665  541.701   43.768 62.09290 51.77782 
1 1 1   37    3    8 o  481.820   19.667 94879.75  7694.32 101818.40  9453.55 81262.65 13243.39  498.448   23.358  440.641   37.367 57.80673 44.06684 
1 1 1   37    3    9 f  516.523   18.035 108979.90  7563.83 112358.40 10718.27 105628.30 10675.60  522.940   25.243  506.196   26.062 16.74399 36.28266 
1 1 1   37    3   10 o  596.649   24.110 146286.20 11680.51 146067.50 14300.68 146724.50 20245.31  594.381   29.631  588.695   42.643 5.685486 51.92740 
1 1 1   37    3   11 o  537.615   21.528 118624.00  9397.67 117245.30 11504.75 121388.60 16291.43  532.972   26.585  536.740   37.619 -3.767822 46.06482 
1 1 1   37    3   12 o  647.121   32.650 175273.41 17100.31 173438.50 24264.53 177084.00 24103.27  633.244   47.538  640.607   46.660 -7.362793 66.61089 
1 1 1   37    3   13 o  239.831   11.190 23442.15  2179.04 25545.88  3701.92 22326.80  2695.48  248.877   18.450  233.343   14.296 15.53421 23.34060 
1 1 1   37    3   14 o  161.930   9.4459 10718.00  1236.57 10979.60  2082.44 10575.51  1536.86  162.900   15.949  160.529   11.875 2.370132 19.88397 
1 1 1   37    3   15 o  152.556   8.4054  9512.98  1037.16  9628.46  1467.73  9397.80  1465.81  152.967   11.911  151.088   12.049 1.878799 16.94226 
1 1 1   37    3   16 f  246.241   10.677 24827.59  2134.76 26047.80  3047.87 23652.54  2990.95  250.747   15.040  238.744   15.513 12.00320 21.60658 
1 1 1   37    3   17 o  285.987   11.825 33651.78  2746.01 33424.02  3902.82 33875.07  3864.35  282.511   17.094  284.564   16.799 -2.053375 23.96733 
1 1 1   37    3   18 o   60.328   12.382  1557.29  586.219  1814.52  800.243  1259.40  861.186   64.690   15.448   54.909   17.300 9.781273 23.19316 
1 1 1   37    3   19 o  215.158   10.609 19102.77  1853.47 18817.30  2644.61 19378.35  2598.42  211.094   15.539  214.505   15.013 -3.411087 21.60669 
1 1 1   37    3   20 o  225.993   11.012 21191.96  2020.77 21782.15  2862.35 20605.51  2853.27  226.157   15.684  219.657   16.110 6.499420 22.48414 
1 1 1   37    3   21 o  115.462   11.165  5616.06  1033.70  5164.90  1416.13  6130.63  1512.35  108.356   16.627  118.463   16.143 -10.10690 23.17450 
1 1 1   37    3   22 o   39.161   15.157  479.985  686.355  1104.92  976.478 -130.2584  964.931   51.719   18.437   37.114   16.376 14.60501 24.65902 
1 1 1   37    3   23 f   79.879   13.323  2842.41  833.675  2312.30  1098.55  3562.28  1280.16   69.073   18.995   86.177   18.822 -17.10376 26.74109 
1 1 1   37    5    0 o  567.582   40.143 132769.91 18381.01   0.0000   0.0000 132769.91 18381.01  ?   ?   567.582   40.143 0.000000 40.14327 
1 1 1   37    5    1 o  869.555   60.898 315829.81 42725.88   0.0000   0.0000 315829.81 42725.88  ?   ?   869.555   60.898 0.000000 60.89832 
1 1 1   37    5    2 o  932.814   44.886 358230.31 33997.07 374057.81 48159.39 342507.81 47999.25  944.889   63.135  902.720   65.941 42.16888 91.29223 
1 1 1   37    5    3 o  477.520   20.480 92881.96  7940.76 100246.50  9714.00 78048.55 13786.21  495.771   24.131  434.048   39.551 61.72357 46.33175 
1 1 1   37    5    4 o  554.300   28.385 126020.80 12732.62 144545.70 17901.08 107052.50 18114.08  591.592   37.460  506.900   44.460 84.69244 58.13684 
1 1 1   37    5    5 o  162.855   7.6460 10774.88  1011.05 11719.97  1433.92  9840.47  1425.79  169.473   10.472  155.151   11.398 14.32190 15.47778 
1 1 1   37    5    6 o  236.592   9.6193 22755.66  1847.92 25791.75  2623.98 19768.28  2602.85  251.419   12.897  219.836   14.666 31.58263 19.53006 
1 1 1   37    5    7 f  421.506   14.912 72396.16  5103.59 80673.93  7239.01 64215.79  7196.30  444.290   20.067  395.427   22.506 48.86325 30.15304 
1 1 1   37    5    8 o  525.182   18.382 112653.60  7838.85 126538.00 11113.22 98905.34 11058.61  555.277   24.649  489.407   27.945 65.86993 37.26188 
1 1 1   37    5    9 o  594.296   24.012 145005.09 11587.01 149457.91 14202.21 136140.91 20038.07  601.794   29.065  567.008   43.865 34.78583 52.62062 
1 1 1   37    5   10 o  739.549   25.353 225145.09 15223.93 231833.50 21568.82 218504.70 21491.17  745.465   35.634  722.248   36.768 23.21686 51.20220 
1 1 1   37    5   11 o  182.498   8.2761 13544.10  1226.37 15350.77  1765.66 11860.10  1704.66  193.826   11.268  170.149   12.425 23.67644 16.77294 
1 1 1   37    5   12 o   94.525   9.5053  3673.01  719.650  3606.65  1376.09  3697.99  844.311   92.133   19.025   94.620   11.207 -2.486282 22.08046 
1 1 1   37    5   13 o  245.197   11.486 24512.37  2286.79 23376.35  2799.75 26789.18  3963.60  238.715   14.513  254.643   19.314 -15.92798 24.15897 
1 1 1   37    5   14 o  383.521   17.094 60430.45  5323.32 59857.26  6516.08 61580.68  9230.57  379.931   21.207  381.420   30.048 -1.489136 36.77815 
1 1 1   37    5   15 o  254.813   11.957 26578.30  2473.93 27132.66  4155.98 26274.05  3078.84  254.767   20.258  252.305   15.098 2.462891 25.26526 
1 1 1   37    5   16 o   62.243   12.458  1647.31  607.642  1950.70  953.436  1439.80  788.529   67.264   17.345   58.086   16.140 9.178318 23.69261 
1 1 1   37    5   17 f   26.670   11.903 -209.1224  524.572 -386.0536  716.198  -4.3517  770.487   30.113   13.633   35.355   15.117 -5.242331 20.35607 
1 1 1   37    5   18 o  262.986   11.272 28517.93  2406.96 28324.08  3435.55 28704.83  3373.23  259.407   16.395  261.386   15.970 -1.978577 22.88784 
1 1 1   37    5   19 o  129.580   9.2380  6938.23  965.609  6276.73  1334.67  7664.77  1398.74  121.918   13.721  135.146   12.903 -13.22803 18.83501 
1 1 1   37    5   20 o   48.163   14.520  991.426  614.963  1731.18  765.772 -352.0983  1032.00   62.753   15.192   37.153   16.630 25.59942 22.52422 
1 1 1   37    5   21 o   61.344   15.087  1671.82  746.289  1919.12  959.393  1292.91  1187.57   65.193   17.679   56.522   20.312 8.670345 26.92819 
1 1 1   37    5   22 o   72.143   14.491  2323.21  819.370  1444.07  1038.35  3774.06  1333.92   56.899   19.074   90.081   18.843 -33.18135 26.81153 
1 1 1   37    5   23 o   38.291   14.865  485.138  661.613  351.247  769.705  863.953  1294.68   38.106   15.609   50.290   20.377 -12.18464 25.66845 
1 1 1   37    7    0 o  464.246   33.488 88665.38 12538.54   0.0000   0.0000 88665.38 12538.54  ?   ?   464.246   33.488 0.000000 33.48774 
1 1 1   37    7    1 o  499.948   35.791 102975.90 14433.10   0.0000   0.0000 102975.90 14433.10  ?   ?   499.948   35.791 0.000000 35.79143 
1 1 1   37    7    2 o  656.034   32.030 176237.20 17061.91 181638.41 24208.45 170906.20 24050.71  661.708   45.330  641.416   46.495 20.29211 64.93563 
1 1 1   37    7    3 o  222.243   8.4012 20066.05  1516.02 18732.14  2108.83 21492.75  2180.95  214.303   12.169  229.633   11.736 -15.32999 16.90652 
1 1 1   37    7    4 o  593.499   20.248 143684.70  9757.36 153264.91 13789.41 134077.80 13808.59  611.692   27.764  570.966   29.889 40.72559 40.79429 
1 1 1   37    7    5 o  493.967   17.682 99493.12  7092.10 107898.00 10038.22 91116.57 10021.28  513.458   24.078  470.762   26.322 42.69577 35.67360 
1 1 1   37    7    6 o  789.977   28.125 256591.70 18040.25 285748.00 25531.93 227522.70 25493.66  829.393   37.913  736.672   42.805 92.72101 57.18087 
1 1 1   37    7    7 o  253.854   9.5854 26204.28  1975.75 28679.78  2812.98 23794.00  2775.67  265.393   13.054  241.249   14.233 24.14360 19.31260 
1 1 1   37    7    8 o  469.378   19.068 90056.85  7267.09 95083.91  8921.06 80141.48 12528.93  481.595   22.814  437.780   35.554 43.81534 42.24393 
1 1 1   37    7    9 o  220.296   10.846 19750.20  1940.08 21223.54  2395.67 16942.79  3306.95  227.877   13.001  202.421   20.398 25.45639 24.18945 
1 1 1   37    7   10 o  160.686   7.5341 10496.15  982.985  9907.83  1406.53 11057.84  1374.33  155.596   11.208  164.512   10.341 -8.917038 15.24996 
1 1 1   37    7   11 o   73.630   7.7367  2228.64  455.625  2420.55  618.136  2000.32  674.210   76.440   10.215   69.002   12.493 7.437950 16.13775 
1 1 1   37    7   12 o  397.069   14.619 64409.30  4713.23 68370.23  6718.24 60570.34  6614.00  407.925   20.283  383.138   21.345 24.78656 29.44526 
1 1 1   37    7   13 o  812.279   28.763 275550.91 18970.35 278201.19 26887.46 272923.91 26769.18  803.440   41.356  795.507   41.588 7.932861 58.64991 
1 1 1   37    7   14 o  300.735   11.991 36956.93  2928.00 37966.88  4189.96 35993.00  4093.37  303.346   17.081  295.314   17.145 8.032898 24.20107 
1 1 1   37    7   15 o   32.238   12.485  271.818  465.849  790.137  526.800 -1587.3120  997.704   43.862   13.484   28.923   13.980 14.93888 19.42311 
1 1 1   37    7   16 o  134.092   10.050  7403.09  1086.22  8298.50  1300.52  5337.59  1975.24  141.743   11.396  110.402   22.790 31.34087 25.48051 
1 1 1   37    7   17 o  336.847   14.833 47139.64  4056.91 46336.81  6815.20 47580.26  5048.91  325.560   25.998  335.787   18.590 -10.22723 31.96129 
1 1 1   37    7   18 o  215.855   11.229 19274.80  1961.35 18294.66  3137.85 19903.29  2512.70  206.802   18.896  218.124   14.266 -11.32288 23.67626 
1 1 1   37    7   19 o   53.074   13.155  1220.19  564.051  1143.68  724.154  1338.21  899.410   51.822   15.787   56.120   17.679 -4.297840 23.70196 
1 1 1   37    7   20 o   45.680   15.095  855.596  650.911  852.017  826.860  861.429  1055.50   47.389   16.958   50.135   18.947 -2.746033 25.42722 
1 1 1   37    7   21 o   31.733   12.999  176.364  533.898  114.861  646.165  308.692  947.812   33.428   14.047   41.525   17.197 -8.097683 22.20494 
1 1 1   37    7   22 o   42.370   15.468  686.297  692.350  651.745  835.897  761.796  1235.62   43.603   16.769   49.642   19.980 -6.039227 26.08436 
1 1 1   37    7   23 o   51.037   15.755  1202.95  718.386  1149.20  841.978  1346.78  1377.37   50.364   17.174   55.608   21.487 -5.243710 27.50679 
1 1 1   37    9    0 o  863.674   61.291 315085.00 42702.95   0.0000   0.0000 315085.00 42702.95  ?   ?   863.674   61.291 0.000000 61.29139 
1 1 1   37    9    1 o  596.894   42.487 147976.59 20457.33   0.0000   0.0000 147976.59 20457.33  ?   ?   596.894   42.487 0.000000 42.48718 
1 1 1   37    9    2 o  869.688   42.118 313134.91 29742.19 336185.91 42143.49 290261.69 41980.59  891.428   58.550  825.346   63.122 66.08264 86.09575 
1 1 1   37    9    3 o  185.718   12.285 14090.47  1842.06 15026.42  2702.80 13278.64  2517.22  191.213   17.606  179.668   17.476 11.54576 24.80702 
1 1 1   37    9    4 o  412.196   16.592 69253.07  5553.08 81838.52  9804.59 63309.20  6737.98  445.793   27.217  393.059   21.191 52.73425 34.49367 
1 1 1   37    9    5 o  554.226   18.193 125377.30  8187.17 131256.91 11580.03 119500.90 11576.79  565.678   25.212  539.478   26.429 26.19989 36.52542 
1 1 1   37    9    6 o  703.992   22.341 202964.91 12770.76 202938.00 18077.66 202991.59 18043.56  700.851   31.767  700.968   31.702 -0.1176147 44.87943 
1 1 1   37    9    7 o  428.959   18.619 75186.56  6485.05 76860.98  7974.38 71916.55 11143.97  432.435   22.792  415.348   33.324 17.08670 40.37283 
1 1 1   37    9    8 o  346.052   13.901 48806.73  3905.91 53909.07  5549.94 43799.43  5498.00  362.609   18.916  326.382   20.855 36.22684 28.15564 
1 1 1   37    9    9 o  552.863   22.441 125476.10 10073.93 125207.70 12353.10 126009.10 17406.08  550.007   27.751  546.481   39.493 3.525391 48.26804 
1 1 1   37    9   10 o  493.781   17.142 99703.30  6872.87 98692.75  9762.16 100696.50  9677.80  488.799   24.676  494.501   24.103 -5.702271 34.49469 
1 1 1   37    9   11 o  235.190   9.2467 22509.86  1765.81 22038.75  2524.61 22961.08  2470.74  232.026   13.458  236.926   12.892 -4.900162 18.63661 
1 1 1   37    9   12 o  231.932   10.087 21909.02  1899.57 22968.77  2730.37 20914.91  2644.47  236.674   14.275  225.768   14.502 10.90585 20.34924 
1 1 1   37    9   13 o  260.030   10.387 27565.40  2193.16 27844.79  3152.39 27303.31  3053.17  260.343   14.976  257.858   14.643 2.484894 20.94489 
1 1 1   37    9   14 o   28.934   11.318  202.806  385.840  208.013  496.969  194.904  612.194   31.888   12.728   34.444   13.993 -2.555504 18.91571 
1 1 1   37    9   15 o  187.125   9.1510 14302.37  1390.40 15229.15  1988.85 13416.42  1944.54  192.122   12.823  180.140   13.390 11.98213 18.53980 
1 1 1   37    9   16 o  232.056   10.385 22081.88  1956.69 23100.97  2840.74 21161.90  2699.06  235.665   14.923  225.557   14.820 10.10838 21.03122 
1 1 1   37    9   17 o   99.481   10.959  4119.92  870.493  3984.59  1020.05  4482.61  1669.87   97.256   13.263  100.872   21.068 -3.615669 24.89488 
1 1 1   37    9   18 o  138.932   10.696  8005.50  1197.33  7899.56  1424.40  8260.61  2210.43  137.343   12.925  137.491   20.420 -0.1485901 24.16689 
1 1 1   37    9   19 o  184.706   10.388 14147.59  1551.68 12626.75  2386.99 15260.58  2042.00  171.239   17.410  190.613   13.277 -19.37326 21.89439 
1 1 1   37    9   20 o  159.865   10.537 10664.99  1360.12 10792.75  2019.55 10558.94  1839.96  158.126   15.947  157.147   14.586 0.9789429 21.61192 
1 1 1   37    9   21 o   62.092   13.660  1704.17  669.976  1391.38  848.153  2223.21  1092.58   55.881   17.098   69.392   18.886 -13.51100 25.47569 
1 1 1   37    9   22 o  125.902   11.282  6789.40  1141.14  7090.77  1519.11  6399.11  1728.78  126.163   15.131  117.074   18.824 9.089409 24.15150 
1 1 1   37   11    0 o  616.545   44.236 159056.20 21997.82   0.0000   0.0000 159056.20 21997.82  ?   ?   616.545   44.236 0.000000 44.23567 
1 1 1   37   11    1 o  826.319   59.514 291973.09 39663.33   0.0000   0.0000 291973.09 39663.33  ?   ?   826.319   59.514 0.000000 59.51423 
1 1 1   37   11    2 o  163.885   11.947 10984.81  1578.83 12156.64  2330.88  9991.35  2146.16  171.859   16.923  155.589   17.280 16.27017 24.18652 
1 1 1   37   11    3 o  358.981   14.904 52504.17  4344.26 61234.51  7775.67 48542.40  5238.01  385.665   24.965  344.306   18.807 41.35941 31.25628 
1 1 1   37   11    4 o  512.905   21.580 107659.80  8987.27 96534.36 15812.82 112968.40 10922.99  479.119   41.043  524.538   25.646 -45.41968 48.39708 
1 1 1   37   11    5 o  625.979   31.661 162352.30 16040.43 156490.09 22946.49 167954.20 22431.47  607.323   46.896  630.855   44.068 -23.53204 64.35255 
1 1 1   37   11    6 o  306.951   13.934 38392.57  3472.86 33928.00  6298.55 40342.73  4162.81  285.778   27.483  314.008   16.384 -28.23035 31.99596 
1 1 1   37   11    7 o  354.102   12.326 51062.70  3543.81 51810.93  5023.28 50321.33  5000.22  356.146   17.371  350.967   17.546 5.178833 24.69043 
1 1 1   37   11    8 o  493.602   17.652 99595.03  7074.88 103239.90 10029.05 95984.33  9981.90  500.930   24.657  482.115   25.591 18.81528 35.53680 
1 1 1   37   11    9 o  164.558   9.2155 11050.81  1226.39 11208.45  1480.05 10705.44  2190.70  165.543   11.075  160.942   17.022 4.601776 20.30793 
1 1 1   37   11   10 o  378.280   13.350 58373.06  4100.51 58030.88  5828.29 58708.46  5770.15  375.744   19.167  378.482   18.776 -2.737946 26.83128 
1 1 1   37   11   11 o   77.876   7.5526  2489.49  471.568  3129.60  625.896  1649.04  717.180   87.237   8.9636   62.302   14.456 24.93552 17.00985 
1 1 1   37   11   12 f  458.711   16.003 86200.60  5960.55 85836.77  8481.05 86555.73  8378.86  455.006   23.031  457.631   22.549 -2.624725 32.23180 
1 1 1   37   11   13 f  118.717   8.0071  5764.30  767.325  6491.83  1052.93  4940.33  1120.54  125.720   10.408  109.161   12.891 16.55927 16.56841 
1 1 1   37   11   14 o  165.120   8.4979 11148.29  1135.47 10967.43  1599.32 11332.10  1612.36  163.164   12.159  165.889   12.053 -2.724777 17.12047 
1 1 1   37   11   15 o  142.596   8.2505  8329.23  951.185  7391.43  1342.81  9273.68  1347.56  133.495   12.535  149.962   11.147 -16.46721 16.77426 
1 1 1   37   11   16 o  149.006   8.4055  9107.69  1012.81  8300.69  1436.61  9905.15  1428.08  141.293   12.656  154.753   11.446 -13.46027 17.06467 
1 1 1   37   11   17 o   81.586   8.9518  2761.05  583.268  1704.70  749.418  4384.04  928.919   62.717   14.931  102.498   11.352 -39.78146 18.75669 
1 1 1   37   11   18 o   31.132   12.089  259.023  437.728  222.921  539.513  328.565  748.797   32.885   13.214   38.804   15.576 -5.918308 20.42619 
1 1 1   37   11   19 o  117.476   10.638  5764.60  1003.75  5423.15  1133.33  7006.81  2161.67  113.301   12.529  124.364   22.223 -11.06297 25.51106 
1 1 1   37   11   20 o   21.882   10.355 -551.1951  488.039 -630.7092  509.240  344.525  1709.18   21.882   10.419   52.740   22.531 -30.85773 24.82374 
1 1 1   37   11   21 o  150.448   10.448  9541.52  1268.40  9124.63  1704.72 10058.55  1898.46  144.527   14.733  151.094   15.704 -6.568024 21.53282 
1 1 1   37   11   22 o  147.949   10.666  9351.03  1272.75  9385.46  1721.88  9309.56  1889.67  144.953   14.839  142.769   16.611 2.184235 22.27409 
1 1 1   37   13    0 o  1089.21   83.175 541992.81 73003.99   0.0000   0.0000 541992.81 73003.99  ?   ?   1089.21   83.175 0.000000 83.17464 
1 1 1   37   13    1 o  536.921   37.859 120564.20 16399.17   0.0000   0.0000 120564.20 16399.17  ?   ?   536.921   37.859 0.000000 37.85857 
1 1 1   37   13    2 o  404.052   19.313 66729.76  6336.02 76619.95  9293.62 58140.61  8660.79  430.848   26.697  374.587   28.693 56.26102 39.19250 
1 1 1   37   13    3 o  336.267   13.572 46063.70  3705.58 57913.97  6583.26 40567.86  4483.26  375.446   21.687  314.719   17.615 60.72623 27.93974 
1 1 1   37   13    4 o  798.392   32.709 264081.81 21204.35 250578.59 37020.86 270674.50 25867.86  757.467   60.703  804.549   39.598 -47.08252 72.47625 
1 1 1   37   13    5 o  620.918   25.368 158533.00 12789.89 150658.59 22444.30 162319.70 15564.23  594.679   46.862  626.486   30.597 -31.80713 55.96608 
1 1 1   37   13    6 o   70.219   8.9489  2037.53  498.627  1458.69  1236.99  2149.83  544.854   61.767   20.818   72.075   9.5450 -10.30747 22.90162 
1 1 1   37   13    7 o  413.214   17.746 69813.95  5954.20 63393.17 10656.73 72728.09  7179.34  388.697   34.110  421.155   20.994 -32.45731 40.05353 
1 1 1   37   13    8 o  540.174   22.554 119942.10  9892.34 113588.20 17520.16 122915.80 11985.68  516.296   42.161  545.349   27.068 -29.05231 50.10171 
1 1 1   37   13    9 o  276.145   10.185 31045.43  2283.63 28886.74  2782.74 35497.37  3996.24  266.150   12.877  294.107   16.804 -27.95782 21.17043 
1 1 1   37   13   10 o  396.239   12.949 64061.33  4166.06 63860.67  5918.40 64258.41  5865.34  394.600   18.472  395.875   18.247 -1.275238 25.96473 
1 1 1   37   13   11 o  124.055   6.8923  6277.38  691.521  5333.33  926.767  7463.23  1038.69  113.972   10.120  135.041   9.5341 -21.06898 13.90366 
1 1 1   37   13   12 o  145.376   7.8104  8626.77  918.558  9401.63  1265.34  7763.50  1335.58  151.487   10.349  137.340   12.100 14.14716 15.92226 
1 1 1   37   13   13 o  307.816   12.296 38796.47  3073.31 38370.86  4380.37 39209.10  4313.04  304.217   17.811  307.700   17.334 -3.483032 24.85331 
1 1 1   37   13   14 o  144.804   8.5197  8588.80  997.302 10790.73  1422.14  6458.15  1398.94  161.951   10.878  124.431   14.095 37.51942 17.80436 
1 1 1   37   13   15 o  147.428   7.9917  8903.19  953.084  8292.43  1330.97  9545.97  1365.42  141.538   11.686  152.053   11.137 -10.51456 16.14273 
1 1 1   37   13   16 o  158.109   8.5709 10264.07  1096.21  9911.13  1532.32 10634.05  1568.90  154.436   12.322  160.048   12.164 -5.611832 17.31463 
1 1 1   37   13   17 f  174.892   8.8868 12584.82  1257.83 12715.27  1780.07 12454.73  1777.61  174.627   12.640  172.775   12.762 1.852158 17.96152 
1 1 1   37   13   18 f  180.667   9.6249 13494.04  1406.84 14441.26  1962.73 12493.16  2017.55  185.517   13.114  171.818   14.600 13.69957 19.62507 
1 1 1   37   13   19 o   18.240   8.6802 -442.7244  352.401 -359.5533  370.928 -1213.4611  1129.16   19.777   9.2546   33.164   15.711 -13.38718 18.23413 
1 1 1   37   13   20 o   43.200   13.302  798.289  512.457  972.580  534.545 -1180.9080  1801.32   47.162   13.354   44.169   20.578 2.992432 24.53097 
1 1 1   37   13   21 o   36.044   12.520  513.820  448.168  397.971  459.662  2743.79  2016.70   33.800   12.558   73.852   26.477 -40.05189 29.30453 
1 1 1   37   13   22 o   80.966   11.568  2875.62  738.861  2719.32  875.078  3263.75  1378.95   77.129   14.505   80.181   20.949 -3.052055 25.48116 
1 1 1   37   15    0 o  290.371   16.349 34524.14  3838.86   0.0000   0.0000 34524.14  3838.86  ?   ?   290.371   16.349 0.000000 16.34862 
1 1 1   37   15    1 o  237.363   14.480 23055.29  2777.36   0.0000   0.0000 23055.29  2777.36  ?   ?   237.363   14.480 0.000000 14.47982 
1 1 1   37   15    2 o  629.867   20.123 162400.91 10291.75 168662.91 20903.79 160397.41 11824.11  632.622   40.914  625.096   23.296 7.525513 47.08168 
1 1 1   37   15    3 o  167.029   9.3683 11382.65  1265.41  9957.43  2818.83 11742.35  1416.12  154.079   23.255  169.566   10.335 -15.48720 25.44816 
1 1 1   37   15    4 o  793.333   31.027 260822.80 19986.24 277832.91 34987.41 252583.50 24350.23  800.849   54.123  776.371   38.627 24.47754 66.49319 
1 1 1   37   15    5 o  532.723   21.647 116434.10  9363.65 112373.70 16574.69 118337.40 11348.03  515.551   39.905  535.794   26.085 -20.24268 47.67438 
1 1 1   37   15    6 o  113.137   8.8946  5238.48  810.504  6317.21  1830.78  4975.52  903.909  122.814   18.970  110.096   10.228 12.71807 21.55206 
1 1 1   37   15    7 o  109.192   8.6575  4880.07  761.279  9351.04  1796.21  3901.10  840.502  150.617   14.882   97.284   10.824 53.33361 18.40194 
1 1 1   37   15    8 o  176.925   10.392 12790.06  1486.27 12044.47  3032.18 13025.85  1705.16  169.617   22.577  178.386   11.840 -8.768936 25.49335 
1 1 1   37   15    9 o  271.371   12.933 30050.12  2849.69 29191.71  5441.95 30374.44  3344.97  264.334   25.679  272.154   15.198 -7.820068 29.83933 
1 1 1   37   15   10 o  169.143   9.7724 11691.55  1336.40 17959.63  2777.53  9803.35  1524.46  208.715   16.525  154.518   12.251 54.19678 20.57068 
1 1 1   37   15   11 o  359.403   15.887 52987.49  4636.12 52653.26  8565.22 53125.98  5513.63  352.396   30.227  358.598   19.004 -6.201935 35.70461 
1 1 1   37   15   12 o   81.994   11.945  2806.70  771.874  4645.15  1951.86  2465.90  840.378  103.438   23.742   76.355   14.073 27.08238 27.59996 
1 1 1   37   15   13 o   51.554   9.2003  1117.80  370.995  959.220  434.282  1546.07  713.687   47.448   11.412   60.070   14.742 -12.62175 18.64311 
1 1 1   37   15   14 o   91.258   7.8894  3425.02  578.844  3497.00  737.873  3309.85  933.381   91.857   10.057   88.632   13.387 3.224243 16.74393 
1 1 1   37   15   15 o   81.204   8.3091  2724.74  540.142  3475.84  671.550  1348.48  909.034   91.669   9.1443   56.761   17.756 34.90774 19.97254 
1 1 1   37   15   16 o   53.433   9.7055  1208.53  405.568  1664.52  462.530 -308.2661  843.579   63.019   9.3204   33.804   15.090 29.21533 17.73611 
1 1 1   37   15   17 o   29.566   10.878  289.533  343.361  250.126  380.253  463.565  799.106   29.566   11.324   41.528   16.276 -11.96220 19.82836 
1 1 1   37   15   18 o  113.320   9.1205  5328.36  832.091  5833.18  1037.23  4416.87  1393.73  118.058   10.945  100.083   17.803 17.97507 20.89833 
1 1 1   37   15   19 o   78.334   8.9984  2570.33  561.949  3057.38  631.144  707.299  1234.39   85.448   9.2441   50.122   20.041 35.32590 22.07068 
1 1 1   37   15   20 o   45.889   10.195  914.834  370.018  1089.60  387.097 -935.6248  1259.61   50.256   9.8384   36.701   17.135 13.55521 19.75821 
1 1 1   37   15   21 o   47.789   12.406  1021.39  485.613  764.561  527.681  2442.26  1241.14   42.030   13.574   70.452   20.476 -28.42167 24.56618 
1 1 1   37   17    0 o  1114.33   57.057 543483.50 51452.37   0.0000   0.0000 543483.50 51452.37  ?   ?   1114.33   57.057 0.000000 57.05738 
1 1 1   37   17    1 o  532.094   27.259 117221.00 11737.41   0.0000   0.0000 117221.00 11737.41  ?   ?   532.094   27.259 0.000000 27.25875 
1 1 1   37   17    2 o  210.932   8.3277 18092.63  1426.29 21430.96  3301.12 17326.40  1581.53  228.201   17.961  206.370   9.4383 21.83156 20.28987 
1 1 1   37   17    3 o  527.809   21.009 114300.40  9003.89 99918.60 18337.30 118869.30 10335.63  481.234   47.551  537.492   23.682 -56.25809 53.12207 
1 1 1   37   17    4 o  377.903   13.522 58242.75  4149.21 61426.85  8561.85 57265.44  4743.43  384.412   27.614  374.439   15.602 9.973358 31.71706 
1 1 1   37   17    5 o  251.283   12.335 25736.75  2516.81 23489.26  4833.33 26572.86  2948.02  237.241   25.491  254.763   14.309 -17.52202 29.23251 
1 1 1   37   17    6 o  149.196   8.6780  9086.25  1046.73 14018.67  2322.41  7828.88  1172.58  184.551   15.646  138.257   10.524 46.29407 18.85584 
1 1 1   37   17    7 o  495.669   20.605 100998.30  8293.01 100154.30 14848.23 101380.90  9997.69  485.134   37.998  494.577   24.977 -9.442108 45.47171 
1 1 1   37   17    8 o  135.281   13.872  7552.64  1502.20  6838.54  2363.97  8036.31  1945.52  126.660   23.861  138.923   17.645 -12.26270 29.67697 
1 1 1   37   17    9 o  199.013   10.542 16188.38  1697.39 19454.13  3480.44 15169.25  1944.28  216.465   20.029  192.357   12.517 24.10817 23.61827 
1 1 1   37   17   10 o  253.797   12.769 26397.57  2623.04 26051.32  5136.66 26519.71  3050.80  248.580   25.826  253.965   14.859 -5.385468 29.79593 
1 1 1   37   17   11 o  272.895   13.276 30524.71  2941.73 29949.25  5745.88 30729.12  3424.58  265.152   27.068  272.909   15.518 -7.757080 31.20099 
1 1 1   37   17   12 o   21.195   10.096 -622.2694  479.078 -2381.6260  2377.31 -547.7964  489.113   49.189   23.148   22.159   10.450 27.02973 25.39723 
1 1 1   37   17   13 o  313.722   14.788 40736.18  3766.87 43752.30  7492.61 39715.99  4357.60  315.119   29.631  308.145   17.488 6.973755 34.40724 
1 1 1   37   17   14 o  124.031   11.692  6389.81  1163.57  9672.85  3737.80  6037.52  1224.41  144.010   32.711  120.279   12.731 23.73076 35.10086 
1 1 1   37   17   15 o  110.202   11.832  5071.76  1042.14  938.298  3307.48  5527.35  1098.07   74.712   31.609  115.071   11.925 -40.35898 33.78361 
1 1 1   37   17   16 o   35.957   15.481 -25.5298  818.220  1953.80  3014.97 -182.8983  850.125   77.894   31.259   35.049   15.422 42.84570 34.85654 
1 1 1   37   17   17 o  170.937   12.722 12268.45  1753.13 11840.67  4816.42 12333.78  1882.25  148.518   39.321  170.958   13.674 -22.44063 41.63097 
1 1 1   37   17   18 o   75.953   8.7605  2411.44  530.363  2432.03  595.916  2332.96  1163.16   75.987   9.8930   71.614   19.485 4.372925 21.85230 
1 1 1   37   17   19 o  106.558   8.7826  4738.89  753.117  4136.93  891.522  6238.82  1407.29   98.610   11.341  119.616   14.806 -21.00541 18.65025 
1 1 1   37   17   20 o   37.275   11.094  599.686  360.706  747.401  381.295 -658.3293  1112.73   41.268   11.126   35.498   16.411 5.770203 19.82721 
1 1 1   37   17   21 o   51.326   11.050  1170.80  446.871  1065.10  474.346  2004.77  1332.38   48.617   12.072   63.103   21.604 -14.48594 24.74774 
1 1 1   37   19    0 o  179.938   13.677 13287.33  1983.34   0.0000   0.0000 13287.33  1983.34  ?   ?   179.938   13.677 0.000000 13.67725 
1 1 1   37   19    1 o  580.806   29.934 140652.30 14068.92   0.0000   0.0000 140652.30 14068.92  ?   ?   580.806   29.934 0.000000 29.93444 
1 1 1   37   19    2 o  209.292   15.048 17985.37  2540.19   0.0000   0.0000 17985.37  2540.19  ?   ?   209.292   15.048 0.000000 15.04817 
1 1 1   37   19    3 o  414.424   15.454 70197.52  5200.34 65639.38 10871.11 71550.08  5921.85  394.248   34.302  418.013   17.447 -23.76523 38.48401 
1 1 1   37   19    4 o  261.757   12.061 27935.03  2563.37 27276.92  5586.65 28110.53  2885.00  255.050   27.406  262.080   13.604 -7.030014 30.59715 
1 1 1   37   19    5 o  387.578   17.248 61540.75  5427.98 59162.32  9984.04 62538.73  6467.27  374.159   33.209  389.460   20.524 -15.30161 39.03881 
1 1 1   37   19    6 o   92.017   9.9701  3488.67  732.997 -695.2434  1964.76  4165.15  790.036   52.062   23.149  100.661   9.7898 -48.59933 25.13384 
1 1 1   37   19    7 o   98.243   15.579  4046.37  1201.28  4296.69  1920.00  3885.35  1539.92   99.924   23.972   95.356   20.499 4.568306 31.54106 
1 1 1   37   19    8 o  291.042   13.877 34649.02  3279.29 34983.26  6390.23 34529.54  3820.75  288.047   27.662  289.682   16.310 -1.634308 32.11274 
1 1 1   37   19    9 o  144.035   11.291  8523.63  1309.97  4378.96  3030.28  9476.19  1452.72  101.883   32.489  151.826   11.879 -49.94307 34.59245 
1 1 1   37   19   10 o  414.446   18.678 71160.47  6285.54 70445.02 11810.49 71443.20  7424.29  399.693   36.805  413.012   22.221 -13.31854 42.99274 
1 1 1   37   19   11 o  144.944   11.345  8661.82  1324.51 12391.10  3616.97  8084.29  1423.38  168.256   27.419  139.726   12.684 28.53049 30.21110 
1 1 1   37   19   12 o  153.244   11.274  9694.47  1392.98 13784.59  3913.21  9101.00  1490.62  176.222   28.307  148.167   12.507 28.05426 30.94682 
1 1 1   37   19   13 o   67.172   14.847  1945.27  788.216  2457.18  2681.09  1896.84  824.658   81.055   30.286   66.213   15.596 14.84233 34.06598 
1 1 1   37   19   14 o  163.643   12.244 11134.69  1615.05 11285.76  4461.63 11111.91  1732.54  151.898   36.606  163.168   13.190 -11.27016 38.90940 
1 1 1   37   19   15 o   50.980   17.867  1002.37  913.743  3345.81  3745.57  854.077  942.209   91.130   35.371   49.121   18.028 42.00833 39.69992 
1 1 1   37   19   16 o   81.089   17.188  2900.99  1096.51  3440.00  4616.92  2868.77  1128.81   93.369   38.234   80.452   17.756 12.91669 42.15607 
1 1 1   37   19   17 o   64.124   18.353  1838.53  1004.08 -755.6515  4979.62  1948.47  1025.14   75.766   34.919   65.897   18.435 9.868469 39.48665 
1 1 1   37   19   18 o   28.788   13.818 -1236.6200  935.166  6930.04  4259.19 -1650.2629  958.557  107.789   38.496   27.193   13.271 80.59579 40.71941 
1 1 1   37   19   19 o   75.783   21.073  2775.58  1343.67   0.0000   0.0000  2775.58  1343.67  ?   ?    75.783   21.073 0.000000 21.07257 
1 1 1   37   19   20 o   50.770   20.913  823.334  1391.45   0.0000   0.0000  823.334  1391.45  ?   ?    50.770   20.913 0.000000 20.91307 
1 1 1   37   21    0 o   92.304   14.503  3565.38  1051.13   0.0000   0.0000  3565.38  1051.13  ?   ?    92.304   14.503 0.000000 14.50317 
1 1 1   37   21    1 f  433.487   23.550 77887.47  8257.98   0.0000   0.0000 77887.47  8257.98  ?   ?   433.487   23.550 0.000000 23.55008 
1 1 1   37   21    2 o  769.726   40.104 253874.70 24977.95   0.0000   0.0000 253874.70 24977.95  ?   ?   769.726   40.104 0.000000 40.10399 
1 1 1   37   21    3 o  627.119   26.839 163543.50 13666.36 163911.30 23926.71 163365.50 16649.48  609.975   48.716  622.187   33.075 -12.21106 58.88309 
1 1 1   37   21    4 o  780.820   28.325 254447.70 17958.05 249694.50 36430.07 255973.41 20640.02  735.536   61.565  779.718   32.601 -44.18280 69.66371 
1 1 1   37   21    5 o  371.370   13.315 56357.47  4015.08 63760.96  8552.51 54264.51  4547.33  390.157   27.167  364.013   15.385 26.14398 31.22059 
1 1 1   37   21    6 o  431.934   24.412 77784.34  8526.75 72924.20 12440.17 82090.87 11710.22  410.812   37.716  439.032   33.093 -28.21967 50.17583 
1 1 1   37   21    7 o  247.870   12.744 25192.72  2556.27 24337.79  5187.02 25466.96  2937.80  239.481   27.155  248.836   14.604 -9.355484 30.83332 
1 1 1   37   21    8 o  278.107   12.947 31685.28  2923.71 38168.28  5978.07 29647.07  3351.95  300.779   24.696  268.072   15.465 32.70679 29.13870 
1 1 1   37   21    9 o  280.425   13.729 32327.86  3126.14 36644.08  6449.64 31002.46  3574.04  292.037   27.524  273.509   16.165 18.52789 31.92005 
1 1 1   37   21   10 o  223.959   12.451 20681.37  2255.31 23998.55  5072.32 19863.98  2517.90  234.947   27.085  218.956   14.240 15.99063 30.60003 
1 1 1   37   21   11 o  213.889   12.137 18894.79  2099.19 27029.35  5233.43 17335.07  2291.62  248.751   26.310  204.297   13.897 44.45436 29.75509 
1 1 1   37   21   12 o  162.271   11.597 10903.16  1517.97 16512.88  4069.31  9996.38  1636.06  192.775   26.716  154.911   13.131 37.86398 29.76803 
1 1 1   37   21   13 o   93.097   15.113  3706.15  1103.23  2032.07  3993.27  3844.49  1147.91   85.583   35.359   94.753   15.453 -9.169685 38.58789 
1 1 1   37   21   14 o   63.301   17.611  1754.41  938.248 -252.3779  3454.66  1914.22  974.891   69.071   30.704   65.984   17.790 3.086334 35.48602 
1 1 1   37   21   15 o   94.763   15.622  3887.73  1160.17  7231.35  4641.60  3664.91  1198.20  116.255   40.296   91.549   16.736 24.70620 43.63303 
1 1 1   37   21   16 o  115.165   15.036  5718.85  1372.44 -4612.6860  5225.81  6484.25  1422.37   67.065   32.312  122.957   14.528 -55.89217 35.42720 
1 1 1   37   21   17 o   95.311   16.625  4038.42  1239.83  7727.60  5505.12  3841.31  1272.52  109.935   42.822   92.445   17.596 17.49061 46.29636 
1 1 1   37   21   18 o  185.176   15.648 15106.85  2330.77   0.0000   0.0000 15106.85  2330.77  ?   ?   185.176   15.648 0.000000 15.64817 
1 1 1   37   21   19 o   44.130   18.843  317.727  1194.32   0.0000   0.0000  317.727  1194.32  ?   ?    44.130   18.843 0.000000 18.84331 
1 1 1   37   23    0 o  572.131   30.329 138126.50 14039.24   0.0000   0.0000 138126.50 14039.24  ?   ?   572.131   30.329 0.000000 30.32934 
1 1 1   37   23    1 o  362.950   21.133 54614.25  6201.11   0.0000   0.0000 54614.25  6201.11  ?   ?   362.950   21.133 0.000000 21.13330 
1 1 1   37   23    2 o  399.978   22.910 66548.02  7409.53   0.0000   0.0000 66548.02  7409.53  ?   ?   399.978   22.910 0.000000 22.91011 
1 1 1   37   23    3 o  234.204   14.557 22553.99  2754.47 18682.29  5175.53 24084.02  3253.52  208.076   31.629  241.577   16.689 -33.50122 35.76228 
1 1 1   37   23    4 o  136.763   14.107  7741.25  1544.06  7543.04  2976.96  7814.20  1805.98  131.495   28.689  136.921   16.583 -5.426453 33.13655 
1 1 1   37   23    5 o  153.070   8.7609  9579.78  1084.35 12729.65  3195.45  9169.86  1152.75  173.315   23.297  149.649   9.5365 23.66550 25.17328 
1 1 1   37   23    6 o  216.871   11.289 19284.80  1981.04 23370.12  5079.54 18551.94  2151.40  233.619   27.292  212.454   12.527 21.16447 30.02992 
1 1 1   37   23    7 o  281.548   14.230 32700.59  3242.63 34029.84  7036.57 32342.20  3653.71  278.851   31.638  279.353   16.177 -0.5014648 35.53385 
1 1 1   37   23    8 o  221.650   12.410 20249.99  2224.44 25312.62  5457.46 19241.34  2435.97  240.731   28.472  215.602   13.991 25.12953 31.72339 
1 1 1   37   23    9 o  173.601   11.503 12436.98  1612.24 15549.23  4248.39 11913.35  1742.60  186.934   28.924  169.575   12.749 17.35864 31.60889 
1 1 1   37   23   10 o  186.657   12.287 14428.54  1851.73 11241.71  5095.93 14913.35  1987.60  150.926   40.667  189.562   12.992 -38.63676 42.69176 
1 1 1   37   23   11 f  158.094   12.592 10400.88  1603.01  3394.86  4869.23 11252.49  1697.64   98.169   39.609  164.406   12.818 -66.23779 41.63161 
1 1 1   37   23   12 o  133.107   12.760  7414.96  1362.16  9575.58  4806.46  7226.27  1420.39  136.340   40.480  131.144   13.533 5.196198 42.68234 
1 1 1   37   23   13 o  218.230   13.800 19979.98  2432.72 21770.79  6624.13 19700.79  2615.48  204.294   41.352  216.065   15.001 -11.77113 43.98925 
1 1 1   37   23   14 o   62.500   18.696  1716.88  1022.44  2381.50  4850.27  1685.97  1045.95   88.792   37.945   62.069   18.986 26.72292 42.42997 
1 1 1   37   23   15 o  132.938   14.059  7548.67  1494.51  7853.31  5178.32  7520.99  1560.93  115.634   42.290  132.356   14.777 -16.72231 44.79691 
1 1 1   37   23   16 o   43.335   17.495  462.138  950.586 -5072.1499  5783.18  615.814  963.693   67.687   32.937   45.396   17.849 22.29080 37.46186 
1 1 1   37   23   17 o  125.745   16.942  7099.70  1685.77   0.0000   0.0000  7099.70  1685.77  ?   ?   125.745   16.942 0.000000 16.94209 
1 1 1   37   23   18 o   40.040   17.298  128.471  1028.84   0.0000   0.0000  128.471  1028.84  ?   ?    40.040   17.298 0.000000 17.29825 
1 1 1   37   25    0 o  346.917   21.147 50245.97  5928.29   0.0000   0.0000 50245.97  5928.29  ?   ?   346.917   21.147 0.000000 21.14677 
1 1 1   37   25    1 o  225.174   17.089 21038.10  3101.14   0.0000   0.0000 21038.10  3101.14  ?   ?   225.174   17.089 0.000000 17.08895 
1 1 1   37   25    2 o  275.646   19.132 31652.61  4255.62   0.0000   0.0000 31652.61  4255.62  ?   ?   275.646   19.132 0.000000 19.13243 
1 1 1   37   25    3 o  154.692   17.466 10019.73  2155.36   0.0000   0.0000 10019.73  2155.36  ?   ?   154.692   17.466 0.000000 17.46569 
1 1 1   37   25    4 o  180.173   15.237 13481.17  2208.26 13293.04  4430.33 13543.36  2547.23  172.301   32.867  179.908   17.665 -7.607040 37.31319 
1 1 1   37   25    5 o  256.187   13.920 27118.10  2884.72 27544.89  7122.86 27034.35  3155.04  246.159   36.764  255.334   15.288 -9.175644 39.81581 
1 1 1   37   25    6 o  252.943   12.829 26407.29  2626.18 29201.31  6434.75 25848.89  2876.67  255.979   31.632  249.773   14.243 6.205399 34.69099 
1 1 1   37   25    7 o  120.580   10.194  6002.99  988.706 12065.91  3927.75  5592.83  1021.60  163.051   30.796  116.204   10.957 46.84667 32.68743 
1 1 1   37   25    8 o  205.868   11.614 17506.70  1933.44 23138.27  5189.19 16598.88  2083.46  227.619   28.716  200.041   12.896 27.57751 31.47889 
1 1 1   37   25    9 o  159.436   11.714 10541.04  1505.80 15687.75  4582.31  9917.98  1594.35  184.114   31.802  154.299   12.842 29.81499 34.29712 
1 1 1   37   25   10 o  135.744   11.788  7671.94  1286.42 13617.40  4950.40  7241.38  1332.19  165.922   37.613  131.612   12.621 34.30994 39.67394 
1 1 1   37   25   11 o  268.773   14.297 30291.61  3108.96 34930.94  7804.29 29416.49  3389.52  266.463   37.076  263.868   15.894 2.594757 40.33902 
1 1 1   37   25   12 o  117.351   14.120  5850.94  1318.40 -6590.1870  5405.15  6637.95  1359.46   65.661   31.925  125.285   13.581 -59.62388 34.69399 
1 1 1   37   25   13 o   40.869   16.815  291.545  898.316 -756.3292  5302.23  322.512  911.493   78.678   36.176   41.465   16.985 37.21352 39.96505 
1 1 1   37   25   14 o   69.128   19.051  2167.28  1103.64 -5171.9448  6065.24  2418.60  1122.37   70.564   34.195   72.987   18.818 -2.423218 39.03098 
1 1 1   37   25   15 o   99.542   17.148  4433.28  1335.93   0.0000   0.0000  4433.28  1335.93  ?   ?    99.542   17.148 0.000000 17.14758 
1 1 1   37   25   16 o   46.991   18.459  722.201  1029.79   0.0000   0.0000  722.201  1029.79  ?   ?    46.991   18.459 0.000000 18.45868 
1 1 1   37   25   17 o   37.241   16.942 -394.1481  1122.72   0.0000   0.0000 -394.1481  1122.72  ?   ?    37.241   16.942 0.000000 16.94190 
1 1 1   37   25   18 o   35.485   17.036 -1441.3940  1422.87   0.0000   0.0000 -1441.3940  1422.87  ?   ?    35.485   17.036 0.000000 17.03571 
1 1 1   37   27    0 o  104.897   18.574  4727.10  1524.07   0.0000   0.0000  4727.10  1524.07  ?   ?   104.897   18.574 0.000000 18.57357 
1 1 1   37   27    1 o  221.273   18.252 20594.15  3250.01   0.0000   0.0000 20594.15  3250.01  ?   ?   221.273   18.252 0.000000 18.25201 
1 1 1   37   27    2 o  161.632   18.294 11058.10  2358.66   0.0000   0.0000 11058.10  2358.66  ?   ?   161.632   18.294 0.000000 18.29426 
1 1 1   37   27    3 o  386.605   24.706 64465.30  7715.05   0.0000   0.0000 64465.30  7715.05  ?   ?   386.605   24.706 0.000000 24.70635 
1 1 1   37   27    4 f  255.292   17.281 27379.31  3561.12 25400.82  7269.38 28004.03  4084.83  229.795   40.437  256.907   19.733 -27.11259 44.99449 
1 1 1   37   27    5 o  238.077   12.527 23465.35  2413.00 21216.20  6499.15 23824.96  2598.75  209.355   39.685  239.562   13.414 -30.20734 41.89085 
1 1 1   37   27    6 o  219.638   12.861 20025.69  2283.55 13662.05  6582.39 20896.36  2434.76  160.180   47.327  224.153   13.440 -63.97285 49.19777 
1 1 1   37   27    7 o  158.754   10.305 10410.06  1321.16 17403.92  5071.08  9900.78  1368.42  192.044   33.753  154.629   10.970 37.41530 35.49071 
1 1 1   37   27    8 o  106.492   11.116  4729.71  947.005  9128.59  4829.55  4553.81  965.753  132.982   40.818  104.350   11.594 28.63218 42.43232 
1 1 1   37   27    9 o   65.162   14.349  1842.14  738.692  7406.56  5101.74  1722.99  746.559  119.407   42.187   62.907   14.854 56.49975 44.72520 
1 1 1   37   27   10 f   98.472   12.545  4098.39  980.282 12442.48  4757.85  3728.48  1001.78  154.961   38.084   93.535   13.588 61.42612 40.43589 
1 1 1   37   27   11 o   57.496   16.233  1448.08  791.041  960.775  5640.13  1457.86  798.938   86.617   38.816   57.684   16.323 28.93286 42.10860 
1 1 1   37   27   12 o  116.712   14.382  5844.99  1334.09  6784.01  6559.99  5804.48  1362.56  109.459   45.279  116.128   14.786 -6.668663 47.63189 
1 1 1   37   27   13 o  103.849   15.903  4733.16  1298.28 15876.44  7002.84  4336.52  1321.19  149.036   49.525   98.764   17.094 50.27224 52.39199 
1 1 1   37   27   14 o  135.302   15.472  8026.82  1669.20   0.0000   0.0000  8026.82  1669.20  ?   ?   135.302   15.472 0.000000 15.47194 
1 1 1   37   27   15 o   42.660   18.282  198.875  1131.51   0.0000   0.0000  198.875  1131.51  ?   ?    42.660   18.282 0.000000 18.28157 
1 1 1   37   27   16 o   85.215   20.280  3583.49  1382.89   0.0000   0.0000  3583.49  1382.89  ?   ?    85.215   20.280 0.000000 20.27964 
1 1 1   37   29    0 o  141.850   20.016  8719.68  2241.32   0.0000   0.0000  8719.68  2241.32  ?   ?   141.850   20.016 0.000000 20.01601 
1 1 1   37   29    1 f  181.670   18.901 14128.95  2747.31   0.0000   0.0000 14128.95  2747.31  ?   ?   181.670   18.901 0.000000 18.90126 
1 1 1   37   29    2 o   80.387   23.637  2875.79  1645.43   0.0000   0.0000  2875.79  1645.43  ?   ?    80.387   23.637 0.000000 23.63686 
1 1 1   37   29    3 o  120.914   22.789  6505.70  2155.33   0.0000   0.0000  6505.70  2155.33  ?   ?   120.914   22.789 0.000000 22.78910 
1 1 1   37   29    4 o  278.003   22.234 33647.31  4976.96   0.0000   0.0000 33647.31  4976.96  ?   ?   278.003   22.234 0.000000 22.23440 
1 1 1   37   29    5 o  347.961   15.415 50816.86  4355.37 60365.64 10064.80 48616.80  4831.13  354.366   35.455  338.234   17.652 16.13141 39.60670 
1 1 1   37   29    6 f  163.434   10.358 11061.28  1367.48 20262.90  5873.81 10533.97  1406.12  201.803   37.218  159.295   10.938 42.50735 38.79221 
1 1 1   37   29    7 o  131.803   11.019  7237.41  1168.41 12672.65  5873.67  7013.47  1192.24  150.203   44.784  129.604   11.447 20.59947 46.22365 
1 1 1   37   29    8 f  131.643   11.383  7243.77  1204.74 17832.46  6042.85  6805.48  1229.43  181.561   41.848  127.356   12.032 54.20569 43.54368 
1 1 1   37   29    9 o  186.022   13.101 14571.91  1966.25 19181.30  7488.64 14230.61  2037.74  174.357   50.186  183.473   13.779 -9.116028 52.04346 
1 1 1   37   29   10 o  110.720   13.475  5234.05  1186.41 10341.40  6150.18  5036.64  1209.12  127.552   46.173  108.348   14.076 19.20437 48.27068 
1 1 1   37   29   11 o  121.483   13.573  6320.69  1315.95  8343.18  7691.33  6259.70  1335.64  111.944   47.810  120.751   13.875 -8.807472 49.78219 
1 1 1   37   29   12 o   91.321   16.161  3712.46  1154.47   0.0000   0.0000  3712.46  1154.47  ?   ?    91.321   16.161 0.000000 16.16079 
1 1 1   37   29   13 f  125.559   15.878  7002.51  1582.60   0.0000   0.0000  7002.51  1582.60  ?   ?   125.559   15.878 0.000000 15.87818 
1 1 1   37   29   14 o   92.570   20.320  4146.88  1485.48   0.0000   0.0000  4146.88  1485.48  ?   ?    92.570   20.320 0.000000 20.32050 
1 1 1   37   29   15 o   93.115   19.869  4278.52  1456.48   0.0000   0.0000  4278.52  1456.48  ?   ?    93.115   19.869 0.000000 19.86945 
1 1 1   37   31    0 o  163.302   21.760 11830.24  2813.45   0.0000   0.0000 11830.24  2813.45  ?   ?   163.302   21.760 0.000000 21.75987 
1 1 1   37   31    1 o   42.885   19.884 -1177.7230  1651.04   0.0000   0.0000 -1177.7230  1651.04  ?   ?    42.885   19.884 0.000000 19.88441 
1 1 1   37   31    2 o  217.036   22.162 20854.93  3850.76   0.0000   0.0000 20854.93  3850.76  ?   ?   217.036   22.162 0.000000 22.16217 
1 1 1   37   31    3 o  253.381   23.495 28695.29  4778.84   0.0000   0.0000 28695.29  4778.84  ?   ?   253.381   23.495 0.000000 23.49516 
1 1 1   37   31    4 o  164.365   26.668 12535.54  3437.06   0.0000   0.0000 12535.54  3437.06  ?   ?   164.365   26.668 0.000000 26.66760 
1 1 1   37   31    5 o  181.693   13.686 13934.78  2004.19   0.0000   0.0000 13934.78  2004.19  ?   ?   181.693   13.686 0.000000 13.68560 
1 1 1   37   31    6 o  106.711   10.504  4764.74  898.328  8878.10  6715.56  4689.80  906.474  120.781   47.227  105.801   10.699 14.98006 48.42366 
1 1 1   37   31    7 o   56.178   11.916  1365.96  526.684 -3108.9609  6392.68  1396.55  528.481   77.587   36.936   56.835   11.836 20.75264 38.78596 
1 1 1   37   31    8 o  216.413   13.574 19874.82  2373.23 18461.12  9180.33 19976.06  2456.74  149.601   56.014  216.639   14.042 -67.03796 57.74755 
1 1 1   37   31    9 o  117.176   12.783  5860.71  1196.44 -645.4861  6643.86  6078.77  1216.32   82.031   38.632  119.374   12.746 -37.34303 40.68002 
1 1 1   37   31   10 o   61.428   16.636  1707.13  850.233   0.0000   0.0000  1707.13  850.233  ?   ?    61.428   16.636 0.000000 16.63606 
1 1 1   37   31   11 o  200.248   14.605 17467.46  2358.34   0.0000   0.0000 17467.46  2358.34  ?   ?   200.248   14.605 0.000000 14.60510 
1 1 1   37   31   12 o   40.408   17.162  222.275  981.091   0.0000   0.0000  222.275  981.091  ?   ?    40.408   17.162 0.000000 17.16192 
1 1 1   37   31   13 o   56.800   19.461  1513.84  1081.20   0.0000   0.0000  1513.84  1081.20  ?   ?    56.800   19.461 0.000000 19.46115 
1 1 1   37   31   14 o   42.190   18.669   89.715  1262.98   0.0000   0.0000   89.715  1262.98  ?   ?    42.190   18.669 0.000000 18.66894 
1 1 1   37   33    0 o  183.943   24.131 15644.51  3517.22   0.0000   0.0000 15644.51  3517.22  ?   ?   183.943   24.131 0.000000 24.13146 
1 1 1   37   33    1 o   90.084   29.903  3991.00  2553.23   0.0000   0.0000  3991.00  2553.23  ?   ?    90.084   29.903 0.000000 29.90269 
1 1 1   37   33    2 o  223.020   25.816 23330.17  4588.38   0.0000   0.0000 23330.17  4588.38  ?   ?   223.020   25.816 0.000000 25.81562 
1 1 1   37   33    3 o  157.737   28.749 12168.29  3546.42   0.0000   0.0000 12168.29  3546.42  ?   ?   157.737   28.749 0.000000 28.74889 
1 1 1   37   33    4 f  199.842   28.797 19512.55  4537.88   0.0000   0.0000 19512.55  4537.88  ?   ?   199.842   28.797 0.000000 28.79728 
1 1 1   37   33    5 o   83.596   29.658  3394.54  2524.02   0.0000   0.0000  3394.54  2524.02  ?   ?    83.596   29.658 0.000000 29.65817 
1 1 1   37   33    6 o  164.406   11.418 11393.81  1514.81 10121.41  9541.78 11426.71  1534.27  112.817   50.527  164.572   11.555 -51.75500 51.83143 
1 1 1   37   33    7 o   27.414   10.718  199.117  345.845  3191.23  8288.15  193.898  346.147   92.936   43.571   27.311   10.710 65.62515 44.86758 
1 1 1   37   33    8 o  100.471   11.868  4326.39  949.502   0.0000   0.0000  4326.39  949.502  ?   ?   100.471   11.868 0.000000 11.86821 
1 1 1   37   33    9 o  124.244   12.897  6683.30  1282.08   0.0000   0.0000  6683.30  1282.08  ?   ?   124.244   12.897 0.000000 12.89653 
1 1 1   37   33   10 o   98.879   14.549  4364.89  1133.17   0.0000   0.0000  4364.89  1133.17  ?   ?    98.879   14.549 0.000000 14.54902 
1 1 1   37   33   11 o   72.926   17.638  2543.84  1033.02   0.0000   0.0000  2543.84  1033.02  ?   ?    72.926   17.638 0.000000 17.63836 
1 1 1   37   33   12 o   45.478   18.115  745.035  1004.71   0.0000   0.0000  745.035  1004.71  ?   ?    45.478   18.115 0.000000 18.11494 
1 1 1   37   35    0 o  131.362   31.564  9316.57  3324.76   0.0000   0.0000  9316.57  3324.76  ?   ?   131.362   31.564 0.000000 31.56409 
1 1 1   37   35    1 o  260.499   28.899 34512.21  6009.60   0.0000   0.0000 34512.21  6009.60  ?   ?   260.499   28.899 0.000000 28.89892 
1 1 1   37   35    2 o   96.311   31.663  5114.25  2865.27   0.0000   0.0000  5114.25  2865.27  ?   ?    96.311   31.663 0.000000 31.66326 
1 1 1   37   35    3 o   93.286   32.928  4902.94  3107.46   0.0000   0.0000  4902.94  3107.46  ?   ?    93.286   32.928 0.000000 32.92804 
1 1 1   37   35    4 o   82.648   31.992  3590.99  3057.74   0.0000   0.0000  3590.99  3057.74  ?   ?    82.648   31.992 0.000000 31.99189 
1 1 1   37   35    5 o   44.999   21.895 -3213.5391  2553.89   0.0000   0.0000 -3213.5391  2553.89  ?   ?    44.999   21.895 0.000000 21.89453 
1 1 1   37   35    6 o   32.848   11.521  416.732  379.961   0.0000   0.0000  416.732  379.961  ?   ?    32.848   11.521 0.000000 11.52098 
1 1 1   37   35    7 o   23.372   10.017   4.0842  339.793   0.0000   0.0000   4.0842  339.793  ?   ?    23.372   10.017 0.000000 10.01720 
1 1 1   37   35    8 f   35.205   12.537  483.806  451.445   0.0000   0.0000  483.806  451.445  ?   ?    35.205   12.537 0.000000 12.53730 
1 1 1   37   35    9 o   65.949   14.326  2004.27  745.193   0.0000   0.0000  2004.27  745.193  ?   ?    65.949   14.326 0.000000 14.32615 
1 1 1   37   35   10 o   70.269   17.140  2411.24  969.208   0.0000   0.0000  2411.24  969.208  ?   ?    70.269   17.140 0.000000 17.13994 
1 1 1   37   37    0 o   40.548   19.865 -3104.8621  2210.07   0.0000   0.0000 -3104.8621  2210.07  ?   ?    40.548   19.865 0.000000 19.86532 
1 1 1   37   37    1 o   61.091   28.129  210.273  3220.74   0.0000   0.0000  210.273  3220.74  ?   ?    61.091   28.129 0.000000 28.12860 
1 1 1   37   37    2 o   58.531   26.924   47.849  2941.47   0.0000   0.0000   47.849  2941.47  ?   ?    58.531   26.924 0.000000 26.92442 
1 1 1   37   37    3 o   35.948   18.131 -6387.1260  2479.00   0.0000   0.0000 -6387.1260  2479.00  ?   ?    35.948   18.131 0.000000 18.13057 
1 1 1   37   37    4 o   65.951   29.357  1637.65  3168.51   0.0000   0.0000  1637.65  3168.51  ?   ?    65.951   29.357 0.000000 29.35663 
1 1 1   37   37    5 o   99.520   37.755  8244.70  4201.57   0.0000   0.0000  8244.70  4201.57  ?   ?    99.520   37.755 0.000000 37.75548 
1 1 1   37   37    6 o   58.673   11.643  1541.96  535.096   0.0000   0.0000  1541.96  535.096  ?   ?    58.673   11.643 0.000000 11.64296 
1 1 1   37   37    7 o  110.447   12.192  5430.29  1075.15   0.0000   0.0000  5430.29  1075.15  ?   ?   110.447   12.192 0.000000 12.19208 
1 1 1   37   39    0 o   63.944   29.888  2036.36  3850.16   0.0000   0.0000  2036.36  3850.16  ?   ?    63.944   29.888 0.000000 29.88828 
1 1 1   37   39    1 f   79.848   34.531  6119.40  4108.35   0.0000   0.0000  6119.40  4108.35  ?   ?    79.848   34.531 0.000000 34.53146 
1 1 1   37   39    2 o   64.403   31.282  1712.25  5154.55   0.0000   0.0000  1712.25  5154.55  ?   ?    64.403   31.282 0.000000 31.28200 
1 1 1   37   39    3 o   62.111   30.548  712.965  5389.54   0.0000   0.0000  712.965  5389.54  ?   ?    62.111   30.548 0.000000 30.54840 
1 1 1   38    0    0 o  414.948   30.558 71236.72 10167.53   0.0000   0.0000 71236.72 10167.53  414.948   30.558  414.948   30.558 0.000000 0.000000 
1 1 1   38    0    1 o  1422.06  100.828 860261.62 115078.30   0.0000   0.0000 860261.62 115078.30  1422.06  100.828  1422.06  100.828 0.000000 0.000000 
1 1 1   38    0    2 o  1155.98   55.634 552174.88 51943.39 578097.81 73562.17 526396.81 73356.37  1173.30   78.007  1116.97   81.895 0.000000 0.000000 
1 1 1   38    0    3 o  191.051   12.001 15001.77  1844.82 14361.63  2707.28 15556.68  2520.64  185.266   18.414  193.620   16.299 0.000000 0.000000 
1 1 1   38    0    4 f  209.567   13.249 18058.25  2233.73 12668.96  3273.49 22754.29  3055.70  171.132   25.150  234.934   16.195 0.000000 0.000000 
1 1 1   38    0    5 o  787.225   39.836 256030.30 25314.41 227550.20 35928.90 284105.09 35672.43  732.693   61.384  823.942   53.849 0.000000 0.000000 
1 1 1   38    0    6 o  536.878   38.878 120243.50 16743.85 120243.50 16743.85   0.0000   0.0000  536.878   38.878  536.878   38.878 0.000000 0.000000 
1 1 1   38    0    9 o   33.147   16.046  657.672  503.724   0.0000   0.0000  657.672  503.724   33.147   16.046   33.147   16.046 0.000000 0.000000 
1 1 1   38    0   10 o  668.871   47.984 189944.09 25752.13   0.0000   0.0000 189944.09 25752.13  668.871   47.984  668.871   47.984 0.000000 0.000000 
1 1 1   38    0   11 o  101.204   19.274  4602.44  1416.96  4602.44  1416.96   0.0000   0.0000  101.204   19.274  101.204   19.274 0.000000 0.000000 
1 1 1   38    0   12 f  558.972   28.258 129610.10 12750.76 127337.80 18199.28 131800.80 17869.82  547.294   41.503  557.878   39.919 0.000000 0.000000 
1 1 1   38    0   13 o  479.386   24.927 95256.55  9642.94 89943.15 13823.81 100292.40 13457.89  459.610   37.622  487.584   34.386 0.000000 0.000000 
1 1 1   38    0   14 o  110.968   13.066  5224.96  1134.45  3727.83  1799.18  6213.02  1461.62   82.940   29.368  120.394   15.688 0.000000 0.000000 
1 1 1   38    0   15 o  107.076   12.843  4879.16  1074.11  4753.04  1832.86  4945.13  1325.59   98.091   26.622  106.238   16.568 0.000000 0.000000 
1 1 1   38    0   16 o   31.857   18.550  511.603  792.340  2395.49  1376.14 -422.6334  969.089   63.913   26.585   24.702   16.664 0.000000 0.000000 
1 1 1   38    0   17 o  210.043   14.348 18410.58  2420.79 19080.08  3746.12 17930.53  3172.08  209.767   22.664  204.897   19.470 0.000000 0.000000 
1 1 1   38    0   18 o   87.437   18.208  3547.60  1139.74  3102.00  2009.05  3759.07  1384.01   69.853   32.211   87.391   22.568 0.000000 0.000000 
1 1 1   38    0   19 o  196.643   14.604 16307.78  2302.25 17243.96  3785.39 15758.21  2900.32  195.744   24.918  190.663   19.180 0.000000 0.000000 
1 1 1   38    0   20 o  213.954   15.823 19503.06  2714.34 19456.38  4436.33 19530.99  3431.61  203.769   28.389  210.802   20.493 0.000000 0.000000 
1 1 1   38    0   21 o  158.540   15.549 10910.87  1957.43  9562.48  3390.45 11585.02  2397.33  129.788   37.116  161.039   19.033 0.000000 0.000000 
1 1 1   38    0   22 o   34.111   20.198  654.296  966.841  1486.03  2741.08  536.115  1033.25   50.024   31.604   33.198   20.260 0.000000 0.000000 
1 1 1   38    0   23 o   68.381   26.036  2949.00  1360.45  5472.60  3407.56  2470.47  1483.84   73.992   40.215   58.330   27.618 0.000000 0.000000 
1 1 1   38    2    0 o  298.561   16.148 36352.40  3900.10 38426.82  5517.61 34281.02  5513.56  306.379   22.333  289.128   23.694 17.25079 32.56038 
1 1 1   38    2    1 o  194.079   11.937 15363.35  1872.04 15545.69  2624.17 15174.38  2671.40  194.795   16.754  192.379   17.286 2.415680 24.07320 
1 1 1   38    2    2 o  499.477   17.735 101494.20  7192.61 106799.60 10151.66 96146.34 10192.24  511.889   24.424  484.878   25.983 27.01141 35.66005 
1 1 1   38    2    3 o  629.169   25.288 161466.80 12918.49 142985.30 22431.52 170638.50 15802.15  586.784   47.488  646.158   30.119 -59.37439 56.23378 
1 1 1   38    2    4 o  170.993   9.2450 11914.10  1278.81 11004.57  2296.35 12322.97  1539.65  163.478   17.576  173.784   10.967 -10.30608 20.71702 
1 1 1   38    2    5 o  570.223   27.622 133130.70 12789.19 141323.91 18210.01 125155.80 17965.75  583.950   38.624  548.784   40.607 35.16534 56.04215 
1 1 1   38    2    6 o  568.853   28.070 132805.70 12965.38 143982.09 18293.26 121524.70 18378.67  588.340   38.506  538.933   42.340 49.40643 57.23094 
1 1 1   38    2    7 o  974.125   39.632 395024.09 31347.42 390011.59 38419.34 405007.41 54219.91  960.223   49.444  959.487   70.080 0.7367554 85.76707 
1 1 1   38    2    8 o  302.024   15.681 37291.27  3832.17 37291.27  3832.17   0.0000   0.0000  302.024   15.681  ?   ?  0.000000 15.68059 
1 1 1   38    2    9 o   24.476   10.006   82.746  315.546 -136.9221  368.846  682.331  609.379   22.650   10.052   42.761   14.611 -20.11089 17.73463 
1 1 1   38    2   10 o  173.319   11.296 12280.05  1580.96 12636.56  2123.85 11837.01  2367.58  175.366   15.062  169.322   17.472 6.043961 23.06777 
1 1 1   38    2   11 o   51.595   11.519  1127.00  470.371  451.976  788.585  1499.80  586.035   41.904   16.239   59.559   12.516 -17.65524 20.50270 
1 1 1   38    2   12 o  238.937   11.181 23256.45  2169.11 25147.27  3679.83 22249.62  2685.22  247.068   18.477  233.032   14.260 14.03641 23.33975 
1 1 1   38    2   13 o  416.331   15.032 70869.09  5081.54 70089.66  7203.08 71641.34  7169.79  411.950   21.610  416.607   21.266 -4.657104 30.31897 
1 1 1   38    2   14 o  607.426   21.646 152574.30 10676.11 151885.70 15120.46 153258.80 15076.24  599.508   31.170  602.403   30.927 -2.894836 43.90914 
1 1 1   38    2   15 o  336.467   13.131 46402.68  3587.46 45596.62  5090.68 47197.90  5056.35  331.301   19.003  337.271   18.535 -5.969330 26.54570 
1 1 1   38    2   16 o  186.033   9.5394 14185.10  1436.11 14705.42  2029.69 13663.46  2032.25  188.580   13.342  181.604   13.887 6.976746 19.25762 
1 1 1   38    2   17 o  156.057   8.9372  9995.99  1127.75 10142.43  1601.73  9852.03  1588.12  156.335   12.729  154.044   12.813 2.290268 18.06090 
1 1 1   38    2   18 o   56.874   13.185  1392.63  597.040  948.502  833.607  1860.39  855.502   49.523   17.082   65.413   16.193 -15.89051 23.53760 
1 1 1   38    2   19 o  143.528   10.102  8528.98  1169.78  6907.26  1631.34 10245.38  1678.29  127.113   16.172  156.295   13.353 -29.18112 20.97210 
1 1 1   38    2   20 o  107.415   10.700  4826.73  920.812  5957.23  1303.04  3699.04  1301.41  118.362   13.818   91.338   18.187 27.02348 22.84124 
1 1 1   38    2   21 o   55.550   14.633  1362.93  669.211  1223.10  912.296  1525.83  984.655   53.694   17.877   58.829   18.493 -5.134682 25.72079 
1 1 1   38    2   22 o   68.754   14.230  2105.29  768.238  1373.94  1024.95  3042.93  1160.54   55.895   18.949   81.175   18.072 -25.27994 26.18532 
1 1 1   38    2   23 o   40.450   16.169  487.839  803.117 -294.8112  1058.81  1548.20  1232.42   36.807   16.628   57.853   20.703 -21.04578 26.55358 
1 1 1   38    4    0 o  293.193   22.784 35225.67  5381.32   0.0000   0.0000 35225.67  5381.32  ?   ?   293.193   22.784 0.000000 22.78354 
1 1 1   38    4    1 o  955.979   67.130 383850.41 51777.19   0.0000   0.0000 383850.41 51777.19  ?   ?   955.979   67.130 0.000000 67.12959 
1 1 1   38    4    2 o  1138.87   55.852 538309.81 51647.65 507511.50 73127.55 568962.38 72954.36  1088.65   83.362  1156.57   78.144 -67.91406 114.2616 
1 1 1   38    4    3 o  1015.94   41.731 424974.31 34424.64 424768.81 42151.87 425386.00 59652.20  1010.77   51.531  999.161   74.055 11.60712 90.21999 
1 1 1   38    4    4 o  957.385   37.656 377326.19 29272.42 374215.19 35848.90 383550.59 50707.96  950.006   46.474  949.666   66.174 0.3404541 80.86340 
1 1 1   38    4    5 o  229.632   12.876 21518.09  2391.10 22770.46  3314.72 20159.43  3452.53  235.753   17.440  221.493   19.393 14.25949 26.08114 
1 1 1   38    4    6 o  857.933   28.936 302518.81 20157.42 330833.41 28511.12 274220.81 28502.68  892.572   39.340  809.537   43.522 83.03424 58.66666 
1 1 1   38    4    7 o  636.166   22.190 165652.41 11462.19 177168.91 16223.32 154173.70 16196.68  655.548   30.479  609.954   32.824 45.59387 44.79251 
1 1 1   38    4    8 o  189.764   9.1444 14641.55  1408.99 16330.14  1753.35 11563.12  2367.39  200.056   10.834  167.379   17.687 32.67731 20.74171 
1 1 1   38    4    9 o  194.043   8.6099 15308.60  1356.54 15949.62  1937.96 14692.78  1899.49  197.553   12.140  189.550   12.410 8.003098 17.36095 
1 1 1   38    4   10 o  250.986   12.020 25655.13  2449.58 26145.01  3000.20 24675.54  4242.56  252.756   14.682  244.370   21.604 8.385651 26.12094 
1 1 1   38    4   11 f  419.698   17.556 72053.05  5982.70 71268.55  7327.50 73621.80 10361.72  416.022   21.768  420.012   30.593 -3.990753 37.54715 
1 1 1   38    4   12 o  230.562   14.362 21787.99  2675.33 21147.66  3886.70 22364.54  3688.08  225.811   21.456  232.646   19.709 -6.835114 29.13428 
1 1 1   38    4   13 o  304.022   16.702 37975.79  4107.30 40030.85  5675.73 35716.35  5951.27  310.646   22.658  292.556   25.302 18.08963 33.96451 
1 1 1   38    4   14 o  246.492   11.749 24808.30  2351.43 27788.65  3971.23 23199.26  2917.94  259.023   19.015  237.435   15.215 21.58771 24.35314 
1 1 1   38    4   15 o  157.418   8.5829 10133.61  1092.91 10920.68  1577.87  9407.78  1515.24  162.889   12.015  151.038   12.467 11.85103 17.31412 
1 1 1   38    4   16 o   61.099   11.565  1581.00  552.717  2182.07  812.110  1062.33  754.397   71.474   14.490   51.007   16.205 20.46695 21.73788 
1 1 1   38    4   17 o  242.314   10.723 24112.89  2109.76 25773.02  3019.06 22528.44  2949.45  248.735   15.019  232.203   15.736 16.53188 21.75324 
1 1 1   38    4   18 o  129.999   9.1582  6965.21  960.519  7076.00  1314.40  6838.24  1407.09  130.182   12.592  127.602   13.801 2.579842 18.68207 
1 1 1   38    4   19 f  242.294   10.984 24268.37  2160.99 24331.65  3075.82 24206.70  3036.76  239.814   15.886  239.298   15.716 0.5163879 22.34666 
1 1 1   38    4   20 o   25.566   11.599 -284.7746  521.633 -94.4820  668.297 -581.4681  834.473   31.629   13.801   31.057   14.306 0.5719776 19.87785 
1 1 1   38    4   21 o   68.848   13.260  2066.19  714.347  2600.03  956.721  1393.60  1073.88   76.470   15.926   57.148   19.396 19.32264 25.09643 
1 1 1   38    4   22 o   29.139   12.880 -130.0608  599.655 -340.3522  752.890  234.790  991.696   30.737   13.941   41.025   17.330 -10.28728 22.24104 
1 1 1   38    4   23 o   26.040   11.917 -314.4728  566.229  514.833  681.962 -2155.0640  1015.97   39.035   15.109   25.820   12.802 13.21543 19.80349 
1 1 1   38    6    0 o  865.252   60.822 313547.69 42458.94   0.0000   0.0000 313547.69 42458.94  ?   ?   865.252   60.822 0.000000 60.82154 
1 1 1   38    6    1 o  489.307   35.098 98600.62 13851.94   0.0000   0.0000 98600.62 13851.94  ?   ?   489.307   35.098 0.000000 35.09829 
1 1 1   38    6    2 o  457.671   32.963 86244.45 12167.32   0.0000   0.0000 86244.45 12167.32  ?   ?   457.671   32.963 0.000000 32.96257 
1 1 1   38    6    3 o  388.781   16.897 61534.76  5333.97 73231.79  9045.91 55299.98  6604.27  422.459   26.505  367.525   22.236 54.93454 34.59715 
1 1 1   38    6    4 f  409.700   15.108 68326.10  5025.77 74404.91  7090.75 62189.46  7124.40  427.069   20.448  389.588   22.619 37.48178 30.49196 
1 1 1   38    6    5 o  216.468   9.5307 19047.81  1675.17 21476.06  2371.89 16631.17  2366.22  229.382   12.786  201.582   14.554 27.80046 19.37284 
1 1 1   38    6    6 f  273.592   10.178 30439.57  2261.02 33259.79  3211.18 27666.68  3184.11  285.784   13.838  260.135   15.140 25.64929 20.51171 
1 1 1   38    6    7 o  131.723   7.0129  7070.13  747.361  8460.84  1075.73  5772.59  1039.07  143.959   9.2520  118.621   10.910 25.33721 14.30509 
1 1 1   38    6    8 o  1125.73   39.032 529164.12 35677.31 555212.00 50484.25 503175.91 50426.46  1138.07   54.632  1078.82   57.777 59.24744 79.51614 
1 1 1   38    6    9 o  425.140   17.763 73853.57  6131.84 78546.41  7525.38 64582.37 10577.39  437.848   21.167  393.033   33.463 44.81516 39.59586 
1 1 1   38    6   10 o  307.925   11.835 38617.39  2959.15 40397.93  4219.03 36893.36  4151.53  314.030   16.605  299.974   17.115 14.05551 23.84703 
1 1 1   38    6   11 o  139.024   7.5049  7880.88  844.039  7091.19  1194.09  8669.39  1193.21  131.466   11.296  145.586   10.158 -14.11972 15.19127 
1 1 1   38    6   12 o  622.750   25.098 160332.50 12691.02 159435.59 22275.06 160763.50 15442.50  607.244   45.508  620.857   30.633 -13.61285 54.85751 
1 1 1   38    6   13 o  123.703   9.4465  6267.71  941.664  4967.69  1143.71  9003.70  1659.19  109.523   13.122  147.774   13.995 -38.25111 19.18445 
1 1 1   38    6   14 o  263.401   11.881 28347.04  2541.05 29323.57  3110.84 26389.10  4404.89  267.127   14.396  251.382   21.796 15.74471 26.12104 
1 1 1   38    6   15 o  256.442   15.090 27176.53  3128.16 29092.16  4251.98 24916.43  4618.48  263.635   20.013  242.359   23.776 21.27600 31.07696 
1 1 1   38    6   16 o  151.408   9.4774  9413.85  1159.27  8855.22  1806.97  9804.61  1511.28  145.426   15.543  153.971   12.188 -8.544067 19.75215 
1 1 1   38    6   17 o  180.890   9.4798 13445.52  1387.52 14068.05  1983.61 12849.09  1941.56  183.968   13.371  175.667   13.721 8.301041 19.15827 
1 1 1   38    6   18 o  121.514   9.7390  6105.24  952.825  5564.80  1329.78  6675.47  1365.94  114.664   14.615  126.072   13.557 -11.40746 19.93455 
1 1 1   38    6   19 o   26.661   11.608 -72.4754  470.570 -91.6562  588.767 -38.5537  782.976   29.730   12.963   35.016   15.109 -5.286085 19.90801 
1 1 1   38    6   20 o   65.767   13.887  1885.63  718.311  2797.70  932.473  554.500  1126.50   80.146   14.877   47.424   19.081 32.72197 24.19486 
1 1 1   38    6   21 o  107.619   10.559  4877.84  910.811  4254.32  1202.19  5718.00  1395.48   98.390   15.566  114.423   15.412 -16.03296 21.90508 
1 1 1   38    6   22 o  166.781   10.648 11774.37  1434.43 12381.80  2018.91 11155.15  2038.42  167.776   14.977  158.276   16.085 9.500229 21.97829 
1 1 1   38    6   23 o   63.049   15.431  1856.02  783.545  2781.32  1024.50  552.077  1216.19   76.627   16.919   46.169   19.329 30.45734 25.68789 
1 1 1   38    8    0 o  287.801   22.757 33994.64  5274.54   0.0000   0.0000 33994.64  5274.54  ?   ?   287.801   22.757 0.000000 22.75679 
1 1 1   38    8    1 o  407.589   29.998 68393.36  9858.05   0.0000   0.0000 68393.36  9858.05  ?   ?   407.589   29.998 0.000000 29.99807 
1 1 1   38    8    2 o  1095.95   53.223 502413.09 47361.57 536680.69 67065.88 468321.81 66893.22  1115.06   74.503  1036.57   80.099 78.48499 109.3914 
1 1 1   38    8    3 o  855.430   41.807 303392.59 29038.66 307801.81 41164.97 299025.19 40969.46  850.484   59.995  837.812   60.635 12.67133 85.29944 
1 1 1   38    8    4 o  743.287   26.992 226591.80 16290.41 242987.70 23019.20 210141.80 23057.09  766.307   36.996  710.402   40.137 55.90497 54.58603 
1 1 1   38    8    5 o  202.421   8.6360 16654.61  1419.40 17910.93  2004.89 15392.17  2009.78  209.475   11.836  194.037   12.829 15.43759 17.45463 
1 1 1   38    8    6 o  419.232   15.011 71631.54  5109.72 75157.69  7245.54 68142.74  7207.07  428.660   20.817  407.439   21.865 21.22128 30.18980 
1 1 1   38    8    7 o  503.876   17.698 103669.70  7240.63 111502.50 10265.04 95913.53 10214.73  521.255   24.253  482.339   26.180 38.91626 35.68760 
1 1 1   38    8    8 o  524.834   21.073 112816.60  8980.26 118816.70 11027.17 101001.10 15474.22  537.582   25.263  489.911   39.229 47.67136 46.65994 
1 1 1   38    8    9 o  535.523   20.961 117546.90  9114.33 118718.10 11182.92 115229.60 15729.80  536.917   25.651  523.687   37.235 13.23035 45.21553 
1 1 1   38    8   10 o  778.786   26.712 250497.80 16891.03 252643.80 23932.79 248368.00 23842.51  775.376   38.014  768.658   38.202 6.718262 53.89261 
1 1 1   38    8   11 o  287.497   11.270 33672.52  2630.74 32736.21  3761.65 34568.88  3680.52  282.448   16.474  290.417   15.666 -7.969330 22.73335 
1 1 1   38    8   12 o  290.938   11.518 34506.08  2721.00 34067.54  3888.09 34927.02  3809.28  287.962   16.701  291.695   16.146 -3.733185 23.22949 
1 1 1   38    8   13 o  376.543   13.993 57989.65  4278.25 59443.11  6108.24 56590.01  5994.10  379.307   19.902  370.029   20.025 9.278839 28.23295 
1 1 1   38    8   14 o  121.702   8.1895  6060.96  804.564  6224.23  1160.51  5909.85  1116.43  122.829   11.781  119.682   11.636 3.146873 16.55802 
1 1 1   38    8   15 o  289.555   13.856 34504.76  3257.61 35591.73  4005.09 32379.96  5599.67  292.652   16.927  275.172   25.347 17.47983 30.47960 
1 1 1   38    8   16 o  274.445   13.688 31103.66  3050.16 31285.40  3743.07 30744.47  5262.26  273.543   16.936  266.974   24.550 6.568970 29.82523 
1 1 1   38    8   17 o  140.932   9.4838  8180.71  1078.94  7732.96  1648.71  8516.10  1426.92  135.466   15.255  143.092   12.404 -7.625351 19.66119 
1 1 1   38    8   18 o  193.842   10.558 15530.76  1655.51 14240.36  2579.01 16435.14  2159.05  182.723   17.601  198.327   13.487 -15.60440 22.17416 
1 1 1   38    8   19 o  154.692   9.5813  9900.72  1197.54  9721.68  1664.13 10093.01  1724.64  151.836   13.644  154.628   13.884 -2.792557 19.46609 
1 1 1   38    8   20 o  176.439   10.031 12945.35  1431.07 13423.73  2004.59 12448.15  2043.65  177.718   14.005  170.599   14.903 7.118454 20.45105 
1 1 1   38    8   21 o   73.362   13.549  2357.11  777.356  2454.07  977.325  2190.12  1282.56   73.682   16.719   68.648   21.029 5.034172 26.86500 
1 1 1   38    8   22 o   52.428   14.841  1243.54  660.274  1486.00  802.807  736.657  1160.76   56.866   16.451   48.323   19.395 8.542358 25.43177 
1 1 1   38   10    0 o  286.712   22.923 33800.53  5291.78   0.0000   0.0000 33800.53  5291.78  ?   ?   286.712   22.923 0.000000 22.92263 
1 1 1   38   10    1 o  562.435   40.433 131772.20 18341.54   0.0000   0.0000 131772.20 18341.54  ?   ?   562.435   40.433 0.000000 40.43273 
1 1 1   38   10    2 o  630.292   31.047 163449.30 15889.26 171515.91 22564.77 155515.70 22378.00  640.161   43.672  608.602   45.616 31.55927 63.15143 
1 1 1   38   10    3 o  468.017   23.318 89667.21  8861.32 101223.10 12640.59 78500.77 12425.75  494.585   31.642  434.175   35.559 60.40997 47.59899 
1 1 1   38   10    4 o  215.407   10.328 18871.26  1806.33 23028.26  3354.36 17173.45  2143.70  236.913   17.562  204.980   12.946 31.93324 21.81861 
1 1 1   38   10    5 o  403.512   15.970 66400.99  5232.51 79605.02  9301.74 60288.46  6328.80  439.401   26.190  383.418   20.402 55.98294 33.19917 
1 1 1   38   10    6 o  646.269   27.008 171866.41 14172.23 175876.09 17391.43 163940.41 24451.52  650.830   33.018  620.106   48.961 30.72406 59.05395 
1 1 1   38   10    7 o  478.393   15.769 93372.76  6125.26 93989.13  8684.50 92762.59  8640.52  478.785   22.339  475.644   22.373 3.141327 31.61607 
1 1 1   38   10    8 o   67.403   6.6852  1864.36  361.048  1168.51  482.486  2749.86  544.279   52.549   11.617   81.820   8.3079 -29.27022 14.28175 
1 1 1   38   10    9 o  194.869   10.905 15508.12  1718.47 16631.25  2099.04 13225.15  2992.65  201.596   12.891  178.352   21.072 23.24422 24.70259 
1 1 1   38   10   10 o  146.438   7.5713  8742.35  897.176  8333.64  1264.57  9156.57  1273.07  142.625   11.005  149.593   10.549 -6.967834 15.24394 
1 1 1   38   10   11 o  256.759   10.294 26848.10  2146.02 26607.84  3063.86 27079.51  3006.82  254.749   14.877  257.073   14.464 -2.323868 20.74894 
1 1 1   38   10   12 o  126.182   7.5140  6499.42  766.367  5630.61  1083.97  7367.70  1083.64  116.935   11.568  134.111   10.024 -17.17693 15.30697 
1 1 1   38   10   13 o  204.602   9.4903 17062.29  1576.64 17445.30  2266.35 16703.09  2194.77  206.019   13.625  201.595   13.486 4.423920 19.17074 
1 1 1   38   10   14 o  265.755   10.704 28872.05  2309.76 29525.76  3323.23 28261.16  3212.58  267.346   15.374  261.594   15.190 5.752441 21.61235 
1 1 1   38   10   15 o   73.117   9.2777  2219.79  538.414  2600.66  770.607  1856.53  752.577   78.610   12.491   65.823   14.475 12.78685 19.11917 
1 1 1   38   10   16 o  126.766   8.6230  6602.31  882.286  7584.21  1223.93  5540.12  1272.99  135.377   11.236  114.916   13.927 20.46098 17.89481 
1 1 1   38   10   17 o  185.218   11.534 14205.08  1725.94 16122.12  2117.24 10407.70  2979.87  196.735   13.333  152.939   24.849 43.79631 28.20010 
1 1 1   38   10   18 o   78.209   11.581  2583.60  713.206  2741.28  775.733  1722.08  1813.24   80.427   12.267   67.478   24.967 12.94894 27.81789 
1 1 1   38   10   19 o  196.435   10.960 16054.15  1741.21 16947.68  2682.21 15403.32  2289.14  198.689   16.783  190.451   14.922 8.237701 22.45749 
1 1 1   38   10   20 o  110.865   10.209  5149.18  908.705  4736.60  1232.91  5639.86  1344.55  104.472   14.961  114.200   14.852 -9.727943 21.08120 
1 1 1   38   10   21 o  133.745   10.142  7526.34  1093.17  7694.61  1420.26  7281.73  1712.33  133.611   13.267  127.692   16.933 5.918945 21.51119 
1 1 1   38   10   22 o   89.547   11.297  3469.23  803.126  3960.84  993.425  2541.72  1364.52   94.709   13.284   71.354   21.656 23.35442 25.40533 
1 1 1   38   12    0 f  919.596   67.723 370776.31 50211.40   0.0000   0.0000 370776.31 50211.40  ?   ?   919.596   67.723 0.000000 67.72266 
1 1 1   38   12    1 o  316.316   24.869 41289.21  6335.75   0.0000   0.0000 41289.21  6335.75  ?   ?   316.316   24.869 0.000000 24.86879 
1 1 1   38   12    2 o  902.800   45.004 342592.69 32989.58 337259.31 46764.25 347876.31 46545.15  876.610   66.189  891.810   64.719 -15.20056 92.57143 
1 1 1   38   12    3 o  740.283   35.325 227494.80 21233.58 242074.80 30326.37 213473.30 29739.85  754.067   49.811  706.317   52.227 47.75006 72.17166 
1 1 1   38   12    4 o  290.395   15.152 34474.65  3560.37 39849.93  5338.33 30167.99  4778.32  311.291   21.247  270.523   21.943 40.76828 30.54392 
1 1 1   38   12    5 o  855.575   34.153 303898.19 23725.99 300423.81 41378.50 305600.00 28959.46  828.151   61.985  853.287   41.798 -25.13684 74.76132 
1 1 1   38   12    6 o  118.017   8.6793  5693.76  825.865  4892.59  1705.61  5939.12  943.895  107.604   20.265  120.442   9.7350 -12.83820 22.48195 
1 1 1   38   12    7 o  246.523   11.621 24745.99  2326.18 24754.02  4384.55 24742.85  2744.23  244.612   22.321  245.976   13.796 -1.364014 26.24045 
1 1 1   38   12    8 o  425.391   15.362 73878.16  5306.03 77409.71  7527.56 70390.73  7480.38  434.312   21.346  413.356   22.371 20.95651 30.92081 
1 1 1   38   12    9 o  430.981   17.100 75985.16  5983.92 73835.05  7326.90 80292.00 10369.74  423.417   21.381  438.922   29.264 -15.50528 36.24273 
1 1 1   38   12   10 o  686.304   23.648 194321.80 13177.86 186984.30 18675.95 201597.30 18596.91  666.364   34.636  693.806   33.011 -27.44189 47.84805 
1 1 1   38   12   11 o   68.277   7.4347  1918.42  405.507  2241.65  500.824  1303.16  690.964   73.731   8.5227   55.526   14.980 18.20510 17.23497 
1 1 1   38   12   12 o  322.189   13.100 42432.88  3427.10 44446.89  4888.85 40486.93  4805.53  328.158   18.422  312.989   18.999 15.16940 26.46409 
1 1 1   38   12   13 o  119.557   7.5659  5843.94  730.688  3893.11  981.820  8265.79  1093.95   96.679   12.824  142.027   9.5415 -45.34837 15.98394 
1 1 1   38   12   14 o  101.743   7.8122  4245.63  640.448  3547.75  881.531  5025.77  932.038   92.239   12.059  110.330   10.532 -18.09091 16.01057 
1 1 1   38   12   15 o  160.691   8.4194 10579.65  1094.70 11205.19  1573.68  9993.14  1523.81  164.666   11.849  155.381   12.175 9.285767 16.98950 
1 1 1   38   12   16 o  146.932   8.6724  8868.05  1030.07  8403.39  1430.43  9368.55  1484.55  142.115   12.524  150.178   12.282 -8.063385 17.54147 
1 1 1   38   12   17 o  251.240   10.573 26009.98  2156.80 25844.82  3130.29 26159.26  2975.92  247.839   15.635  249.834   14.735 -1.994583 21.48471 
1 1 1   38   12   18 o  207.702   9.8007 17787.47  1652.85 17277.17  2349.88 18287.15  2325.29  202.455   14.388  208.615   13.806 -6.160034 19.94049 
1 1 1   38   12   19 o   76.865   10.959  2501.86  664.618  2650.87  714.431  1543.68  1811.64   79.014   11.471   64.653   24.729 14.36091 27.25969 
1 1 1   38   12   20 o   36.194   13.457  446.569  528.068  487.984  551.875  -2.6368  1817.53   37.348   13.783   51.307   22.563 -13.95828 26.43946 
1 1 1   38   12   21 o   83.534   10.180  2970.88  676.218  3862.01  796.436  669.209  1279.97   95.266   10.469   49.247   20.145 46.01885 22.70287 
1 1 1   38   12   22 o   43.990   14.407  850.917  593.399  1388.20  686.298 -740.4822  1181.14   54.755   14.996   35.699   16.642 19.05586 22.40132 
1 1 1   38   14    0 o  408.579   20.977 68533.42  6935.69   0.0000   0.0000 68533.42  6935.69  ?   ?   408.579   20.977 0.000000 20.97694 
1 1 1   38   14    1 o  379.880   18.356 58972.89  5661.97   0.0000   0.0000 58972.89  5661.97  ?   ?   379.880   18.356 0.000000 18.35623 
1 1 1   38   14    2 o  651.490   27.735 174927.20 14671.48 160660.30 25761.38 181776.09 17848.92  610.851   52.448  661.140   33.357 -50.28870 62.15668 
1 1 1   38   14    3 o  492.369   16.973 98991.38  6785.51 110420.00 13794.33 95343.24  7793.63  514.858   33.174  482.694   19.885 32.16400 38.67697 
1 1 1   38   14    4 o  186.890   9.6384 14245.10  1457.63 16082.68  2836.28 13585.57  1699.20  197.588   17.872  182.316   11.538 15.27164 21.27289 
1 1 1   38   14    5 o  221.286   11.218 19985.12  2009.09 18786.88  3787.89 20454.15  2369.91  212.857   22.245  223.663   13.107 -10.80600 25.81928 
1 1 1   38   14    6 o  217.764   11.013 19354.91  1941.03 19924.40  3728.45 19143.18  2273.39  219.416   21.191  216.341   13.002 3.074844 24.86235 
1 1 1   38   14    7 o  245.054   11.733 24462.56  2334.66 25456.36  4444.72 24083.89  2743.62  247.921   22.319  242.579   13.989 5.342148 26.34042 
1 1 1   38   14    8 o  340.335   14.284 47280.66  3947.31 54828.82  7278.79 44135.99  4698.15  363.714   24.795  327.879   17.713 35.83548 30.47166 
1 1 1   38   14    9 o  352.287   14.946 50714.80  4275.22 57806.44  7878.96 47755.54  5089.65  372.748   26.199  340.789   18.462 31.95972 32.05064 
1 1 1   38   14   10 o  504.051   20.566 104574.10  8417.31 111170.30 15073.17 101584.90 10146.81  511.097   36.563  494.438   25.360 16.65952 44.49674 
1 1 1   38   14   11 o  505.538   16.683 104875.80  6848.10 98471.98  9730.94 111159.20  9639.08  486.183   24.732  518.017   22.917 -31.83441 33.71690 
1 1 1   38   14   12 o  124.716   8.1479  6362.38  820.567  7735.13  1102.52  4657.71  1228.60  137.338   9.9544  105.555   14.737 31.78294 17.78383 
1 1 1   38   14   13 o  122.869   8.1758  6183.38  811.010  7558.62  1121.47  4675.68  1174.23  135.590   10.262  105.735   14.023 29.85484 17.37715 
1 1 1   38   14   14 o   56.196   9.1378  1323.86  402.623  1509.40  482.444  898.153  730.799   59.878   10.294   47.823   16.002 12.05432 19.02685 
1 1 1   38   14   15 o  159.734   8.5463 10466.61  1104.43 10449.52  1553.39 10484.08  1570.54  158.775   12.141  159.007   12.259 -0.2322693 17.25386 
1 1 1   38   14   16 o   99.478   8.3193  4079.89  665.805  4280.06  856.671  3774.52  1058.09  101.448   10.555   94.252   14.273 7.196091 17.75126 
1 1 1   38   14   17 o  197.950   9.6729 16130.94  1554.72 16879.58  2197.69 15380.92  2199.72  200.738   13.563  191.267   14.267 9.471527 19.68484 
1 1 1   38   14   18 f  220.768   10.406 20177.76  1865.33 19575.05  2652.66 20767.31  2623.52  214.557   15.327  221.435   14.675 -6.877762 21.21967 
1 1 1   38   14   19 o  109.881   9.2588  5030.35  818.368  4469.25  992.682  6220.68  1445.86  102.572   12.156  119.882   15.195 -17.31062 19.45859 
1 1 1   38   14   20 o  121.354   10.604  6218.13  1034.35  5534.39  1145.66  9232.86  2405.67  113.521   12.644  140.335   21.821 -26.81404 25.21959 
1 1 1   38   14   21 o   98.818   10.754  4185.03  848.960  3657.81  906.336  7958.03  2424.58   91.465   12.533  124.748   24.810 -33.28316 27.79613 
1 1 1   38   16    0 o  382.333   20.399 60060.98  6309.88   0.0000   0.0000 60060.98  6309.88  ?   ?   382.333   20.399 0.000000 20.39918 
1 1 1   38   16    1 o  571.912   29.049 135604.30 13445.33   0.0000   0.0000 135604.30 13445.33  ?   ?   571.912   29.049 0.000000 29.04909 
1 1 1   38   16    2 o  585.745   18.514 140362.00  8805.35 154889.41 18007.72 135797.00 10094.44  607.574   36.674  575.348   21.608 32.22559 42.56650 
1 1 1   38   16    3 o  208.174   9.6266 17631.19  1627.18 18081.47  3594.39 17515.12  1824.89  208.868   21.501  207.143   10.888 1.725235 24.10101 
1 1 1   38   16    4 o  309.358   14.356 39043.26  3606.01 35459.03  6674.24 40520.86  4285.31  291.416   28.574  314.429   16.846 -23.01321 33.17046 
1 1 1   38   16    5 o  307.210   13.169 38480.66  3285.01 43453.48  6121.06 36468.99  3893.16  324.152   23.414  298.325   16.132 25.82718 28.43326 
1 1 1   38   16    6 o  223.012   11.647 20317.95  2101.75 19734.36  4090.58 20527.28  2449.86  217.686   23.516  223.917   13.538 -6.231079 27.13499 
1 1 1   38   16    7 f  345.693   15.133 48829.25  4247.83 49038.72  7827.19 48741.80  5057.39  342.586   28.394  344.436   18.147 -1.849915 33.69811 
1 1 1   38   16    8 o  230.850   15.518 21890.44  2891.83 20892.65  4405.04 22646.13  3833.57  223.502   24.685  233.846   20.394 -10.34415 32.02003 
1 1 1   38   16    9 o  594.966   24.893 146717.41 12025.85 138667.30 21400.36 150432.70 14538.49  562.023   47.336  599.766   29.854 -37.74335 55.96368 
1 1 1   38   16   10 o  321.587   14.395 42329.00  3758.68 47237.79  7137.19 40445.10  4421.50  335.573   26.407  313.286   17.451 22.28717 31.65250 
1 1 1   38   16   11 o  215.523   11.781 19043.08  2053.88 18104.22  4264.55 19326.62  2343.59  206.275   26.042  216.824   13.377 -10.54849 29.27688 
1 1 1   38   16   12 o  209.313   11.922 18008.95  2017.84 18043.61  4443.66 17999.94  2264.81  204.278   27.488  208.919   13.422 -4.640747 30.59018 
1 1 1   38   16   13 o  144.438   10.915  8601.13  1270.64 12004.80  3553.96  8102.28  1360.57  165.034   27.489  139.915   12.095 25.11845 30.03191 
1 1 1   38   16   14 o  179.384   11.504 13290.07  1666.73 16688.40  4000.53 12576.30  1833.43  194.908   25.921  174.048   13.069 20.86055 29.02943 
1 1 1   38   16   15 o  187.354   9.1618 14393.94  1393.73 14989.92  1977.52 13805.72  1964.61  189.854   12.905  182.001   13.388 7.853149 18.59507 
1 1 1   38   16   16 o   59.806   9.6169  1506.69  451.175  1192.77  512.789  2582.58  949.317   52.625   12.233   77.132   15.692 -24.50701 19.89689 
1 1 1   38   16   17 o   23.497   8.8596  166.442  230.459  307.881  240.932 -1355.1880  790.251   27.926   9.1817   25.014   12.173 2.911566 15.24721 
1 1 1   38   16   18 o  130.491   9.0661  7063.63  954.625  7030.19  1205.94  7119.77  1562.31  129.308   11.609  128.571   15.264 0.7377167 19.17695 
1 1 1   38   16   19 o   40.529   11.124  710.626  377.171  937.384  399.672 -1134.8800  1140.20   46.452   10.801   33.575   15.870 12.87658 19.19710 
1 1 1   38   16   20 o   25.742   9.8855  194.562  290.232  209.027  298.542 -54.4700  1238.69   26.307   10.044   42.169   18.582 -15.86118 21.12328 
1 1 1   38   16   21 o   36.600   11.874  570.502  403.472  378.718  426.182  2227.52  1252.71   32.568   12.094   66.667   20.843 -34.09864 24.09695 
1 1 1   38   18    0 o  431.181   22.768 76695.27  7942.85   0.0000   0.0000 76695.27  7942.85  ?   ?   431.181   22.768 0.000000 22.76778 
1 1 1   38   18    1 o  401.743   21.588 66497.16  7016.19   0.0000   0.0000 66497.16  7016.19  ?   ?   401.743   21.588 0.000000 21.58786 
1 1 1   38   18    2 o  781.655   40.024 259001.59 25317.26   0.0000   0.0000 259001.59 25317.26  ?   ?   781.655   40.024 0.000000 40.02415 
1 1 1   38   18    3 f  419.872   20.255 72355.44  6905.47   0.0000   0.0000 72355.44  6905.47  ?   ?   419.872   20.255 0.000000 20.25526 
1 1 1   38   18    4 o  158.623   7.9142 10232.72  1019.32 11383.49  1924.47  9783.99  1201.74  166.363   14.388  154.747   9.6118 11.61699 17.30348 
1 1 1   38   18    5 o  107.039   9.3255  4698.31  802.402  3919.70  1899.46  4867.44  885.270   95.629   24.387  108.868   10.131 -13.23898 26.40739 
1 1 1   38   18    6 o  249.841   11.367 25441.80  2305.90 32672.85  4581.63 22988.79  2668.51  281.241   20.198  236.855   13.937 44.38684 24.53956 
1 1 1   38   18    7 o   41.019   13.572  652.850  526.106  5963.65  1629.94   35.194  555.858  119.412   17.316   30.824   12.995 88.58826 21.64949 
1 1 1   38   18    8 o  106.603   15.000  4740.26  1262.46  7928.90  2252.80  3280.43  1524.30  137.186   20.884   87.452   21.595 49.73373 30.04115 
1 1 1   38   18    9 f  194.144   11.552 15441.82  1812.85 14250.45  3846.85 15781.94  2055.40  182.888   26.691  196.047   12.986 -13.15869 29.68241 
1 1 1   38   18   10 f  437.545   18.804 79160.81  6680.67 79991.77 12306.02 78813.59  7954.97  428.658   35.681  434.278   22.638 -5.619995 42.25614 
1 1 1   38   18   11 o   80.718   12.957  2739.85  820.483  6511.17  2405.57  2243.36  872.822  122.047   25.112   72.442   15.318 49.60547 29.41519 
1 1 1   38   18   12 o  131.315   11.442  7129.58  1207.77  9348.12  3501.25  6829.94  1286.74  143.737   30.917  128.276   12.513 15.46043 33.35379 
1 1 1   38   18   13 o  192.435   11.799 15299.02  1834.73 20084.00  4555.24 14372.46  2004.51  213.506   26.871  186.039   13.359 27.46765 30.00885 
1 1 1   38   18   14 o  155.775   11.523 10058.08  1447.08 19601.82  4102.95  8702.27  1546.45  211.348   24.355  144.318   13.348 67.03001 27.77267 
1 1 1   38   18   15 o  116.219   13.086  5679.21  1213.35 12870.92  4155.72  5009.01  1268.63  164.675   32.234  108.538   14.779 56.13627 35.46059 
1 1 1   38   18   16 o   27.098   13.038 -1214.9910  844.000 -2394.5000  3261.47 -1130.3350  873.763   58.086   27.264   28.294   13.521 29.79119 30.43235 
1 1 1   38   18   17 o   58.454   18.918  1468.91  1024.58  3531.23  3941.55  1319.45  1061.06   90.075   35.880   56.443   19.279 33.63191 40.73124 
1 1 1   38   18   18 o  154.549   14.188 10248.56  1760.51 15353.19  6140.93  9791.45  1837.65  153.350   45.807  150.414   15.258 2.936066 48.28131 
1 1 1   38   18   19 o   52.281   19.801  1039.56  1154.38   0.0000   0.0000  1039.56  1154.38  ?   ?    52.281   19.801 0.000000 19.80073 
1 1 1   38   18   20 o   39.330   17.511 -133.7413  1128.15   0.0000   0.0000 -133.7413  1128.15  ?   ?    39.330   17.511 0.000000 17.51125 
1 1 1   38   20    0 o  404.834   22.142 67729.52  7250.86   0.0000   0.0000 67729.52  7250.86  ?   ?   404.834   22.142 0.000000 22.14233 
1 1 1   38   20    1 f  487.422   25.809 98677.51 10178.06   0.0000   0.0000 98677.51 10178.06  ?   ?   487.422   25.809 0.000000 25.80901 
1 1 1   38   20    2 o  157.424   14.371 10207.96  1816.67   0.0000   0.0000 10207.96  1816.67  ?   ?   157.424   14.371 0.000000 14.37087 
1 1 1   38   20    3 o  225.135   9.9892 20642.46  1826.04 23744.98  4277.26 19950.96  2019.31  238.982   22.300  220.950   11.293 18.03201 24.99677 
1 1 1   38   20    4 o  409.989   13.062 68622.28  4348.18 79843.63  9208.17 65402.09  4932.78  437.940   26.012  399.863   15.193 38.07632 30.12396 
1 1 1   38   20    5 f  550.373   18.563 124423.80  8295.41 140569.20 17000.00 119378.00  9503.68  574.394   36.641  537.929   21.758 36.46533 42.61477 
1 1 1   38   20    6 o  512.620   21.596 108508.80  8988.70 105265.30 16273.49 109932.80 10782.85  492.815   41.042  513.457   25.948 -20.64236 48.55629 
1 1 1   38   20    7 o  275.617   18.382 31398.66  4090.25 25948.38  6179.07 35649.48  5456.96  246.063   31.662  292.281   23.184 -46.21764 39.24229 
1 1 1   38   20    8 o  255.045   13.870 26726.87  2861.49 20379.42  5722.35 28843.30  3304.28  216.132   33.707  264.608   15.446 -48.47627 37.07787 
1 1 1   38   20    9 o  204.662   11.717 17197.00  1939.07 22026.96  4591.31 16148.48  2139.22  227.459   25.288  197.962   13.387 29.49690 28.61273 
1 1 1   38   20   10 o  117.743   10.975  5725.68  1037.11  6082.84  3402.49  5689.09  1088.93  116.078   33.950  117.248   11.590 -1.169838 35.87330 
1 1 1   38   20   11 o   42.740   14.922  677.609  637.046  1148.76  3011.35  655.536  651.798   74.809   30.785   42.547   15.074 32.26124 34.27700 
1 1 1   38   20   12 o  227.142   13.037 21381.01  2394.35 24025.50  5655.93 20803.61  2642.85  230.638   30.986  223.451   14.647 7.186905 34.27334 
1 1 1   38   20   13 o   54.615   15.783  1275.96  739.289  7045.04  3467.73  1001.27  756.685  121.424   33.884   49.684   16.269 71.73955 37.58755 
1 1 1   38   20   14 o   49.836   16.723  996.328  798.165  3086.23  3781.69  898.890  816.559   90.041   35.372   48.410   16.894 41.63093 39.19919 
1 1 1   38   20   15 o  123.075   13.134  6388.12  1292.30  6404.42  4043.77  6386.27  1363.81  112.069   37.640  122.777   13.927 -10.70758 40.13395 
1 1 1   38   20   16 o   55.246   18.976  1250.50  1028.15  6825.96  4475.51  939.863  1056.40  112.026   39.520   51.201   19.035 60.82503 43.86499 
1 1 1   38   20   17 o   77.702   19.116  2759.01  1197.76  2122.56  5488.40  2790.84  1227.35   86.556   38.575   78.042   19.441 8.514084 43.19663 
1 1 1   38   20   18 o  101.108   18.112  4655.03  1432.31   0.0000   0.0000  4655.03  1432.31  ?   ?   101.108   18.112 0.000000 18.11189 
1 1 1   38   20   19 o   47.600   18.933  748.693  1095.99   0.0000   0.0000  748.693  1095.99  ?   ?    47.600   18.933 0.000000 18.93262 
1 1 1   38   20   20 o   33.331   15.743 -916.4081  1118.28   0.0000   0.0000 -916.4081  1118.28  ?   ?    33.331   15.743 0.000000 15.74326 
1 1 1   38   22    0 o  485.986   26.143 98565.48 10278.34   0.0000   0.0000 98565.48 10278.34  ?   ?   485.986   26.143 0.000000 26.14330 
1 1 1   38   22    1 o  322.712   19.277 43005.46  5028.09   0.0000   0.0000 43005.46  5028.09  ?   ?   322.712   19.277 0.000000 19.27696 
1 1 1   38   22    2 o  395.758   22.425 64974.91  7176.38   0.0000   0.0000 64974.91  7176.38  ?   ?   395.758   22.425 0.000000 22.42467 
1 1 1   38   22    3 o  476.806   21.458 93933.42  8307.54 88705.77 14714.34 96379.49 10065.20  451.900   40.532  480.429   25.898 -28.52945 48.09949 
1 1 1   38   22    4 o  196.158   9.4372 15677.94  1503.10 14369.42  3803.39 15920.14  1636.30  183.902   26.213  197.342   10.247 -13.44028 28.14465 
1 1 1   38   22    5 o  116.179   14.715  5617.43  1356.96  6804.03  2644.05  5193.14  1581.06  125.256   26.807  110.912   18.187 14.34326 32.39427 
1 1 1   38   22    6 o  386.669   22.807 62457.60  7128.82 60051.97 10563.94 64469.14  9659.96  371.885   35.412  388.394   30.886 -16.50894 46.98948 
1 1 1   38   22    7 o  342.195   15.597 48210.93  4333.58 53815.07  8721.98 46373.97  4993.57  353.428   30.698  334.199   18.474 19.22977 35.82811 
1 1 1   38   22    8 o  230.269   12.591 21827.04  2345.30 26782.97  5262.26 20598.62  2619.89  249.699   26.353  223.161   14.538 26.53804 30.09698 
1 1 1   38   22    9 o   62.520   14.002  1674.67  693.146 -6336.7412  3196.31  2070.02  710.043   47.579   23.425   69.837   13.000 -22.25845 26.79051 
1 1 1   38   22   10 o  187.048   11.807 14449.99  1783.94 23359.09  4805.60 13026.04  1921.22  231.247   26.047  177.096   13.462 54.15157 29.32015 
1 1 1   38   22   11 o  123.128   12.035  6309.65  1187.87  2643.28  3649.44  6744.11  1256.28   88.127   34.707  127.264   12.311 -39.13711 36.82566 
1 1 1   38   22   12 o   38.299   15.443  295.671  739.696  1962.18  3768.80  228.902  754.368   83.923   34.476   37.712   15.450 46.21171 37.77975 
1 1 1   38   22   13 o   92.949   15.072  3705.22  1098.55 -3182.7920  4421.65  4158.36  1134.11   66.987   31.537   98.739   14.585 -31.75202 34.74660 
1 1 1   38   22   14 f  179.228   13.208 13488.00  1908.63 14599.41  5310.54 13323.15  2045.29  166.365   39.840  177.622   14.303 -11.25650 42.32935 
1 1 1   38   22   15 o  109.915   15.125  5206.86  1314.07  4987.17  5467.50  5220.33  1353.76  101.623   41.610  109.854   15.617 -8.231079 44.44426 
1 1 1   38   22   16 o   27.758   13.278 -1083.1630  847.220  1787.07  4251.61 -1201.8490  864.559   80.127   34.890   27.469   13.211 52.65842 37.30714 
1 1 1   38   22   17 o   70.754   20.533  2353.62  1248.98   0.0000   0.0000  2353.62  1248.98  ?   ?    70.754   20.533 0.000000 20.53344 
1 1 1   38   22   18 o  128.415   16.723  7477.59  1702.29   0.0000   0.0000  7477.59  1702.29  ?   ?   128.415   16.723 0.000000 16.72266 
1 1 1   38   22   19 o   41.779   18.007  238.339  1109.64   0.0000   0.0000  238.339  1109.64  ?   ?    41.779   18.007 0.000000 18.00716 
1 1 1   38   24    0 o   50.369   17.244  959.585  848.912   0.0000   0.0000  959.585  848.912  ?   ?    50.369   17.244 0.000000 17.24441 
1 1 1   38   24    1 o  237.316   17.206 23309.71  3292.95   0.0000   0.0000 23309.71  3292.95  ?   ?   237.316   17.206 0.000000 17.20604 
1 1 1   38   24    2 o  411.409   23.691 70867.58  7880.37   0.0000   0.0000 70867.58  7880.37  ?   ?   411.409   23.691 0.000000 23.69050 
1 1 1   38   24    3 o  202.243   16.820 16966.44  2737.01   0.0000   0.0000 16966.44  2737.01  ?   ?   202.243   16.820 0.000000 16.81983 
1 1 1   38   24    4 o   65.878   8.9915  1802.59  468.405  3696.25  2580.79  1738.08  476.316   93.556   29.998   64.607   9.3518 28.94899 31.42235 
1 1 1   38   24    5 o  144.028   9.4556  8506.89  1099.65 12218.01  3899.70  8186.31  1146.17  166.528   29.941  141.182   10.064 25.34579 31.58770 
1 1 1   38   24    6 o  271.072   13.766 30327.73  3019.96 29448.90  7200.62 30515.31  3326.68  255.736   35.646  271.443   15.154 -15.70670 38.73356 
1 1 1   38   24    7 o  235.720   14.027 23012.82  2672.54 20022.09  6066.60 23732.99  2976.98  207.940   37.302  238.903   15.429 -30.96313 40.36665 
1 1 1   38   24    8 o  110.684   10.842  5076.49  961.856 10778.96  4054.88  4736.49  990.115  152.394   33.667  106.714   11.614 45.67984 35.61430 
1 1 1   38   24    9 o  137.115   11.188  7784.93  1234.73  8589.54  4475.28  7718.63  1284.59  132.686   38.972  136.398   11.713 -3.712250 40.69421 
1 1 1   38   24   10 o   55.388   15.191  1321.10  703.716  2777.22  3948.80  1273.34  715.164   90.049   35.899   54.488   15.453 35.56112 39.08346 
1 1 1   38   24   11 o  162.010   12.515 10943.42  1633.52 14916.67  5291.47 10524.88  1717.40  172.548   38.720  158.536   13.469 14.01173 40.99567 
1 1 1   38   24   12 o   69.431   17.279  2123.81  970.206 -5664.2109  3894.70  2639.08  1001.79   55.299   26.935   77.694   16.395 -22.39499 31.53256 
1 1 1   38   24   13 o   46.556   17.651  707.394  917.910 -1647.1410  4158.92  827.962  941.118   68.555   31.706   48.518   17.980 20.03767 36.44954 
1 1 1   38   24   14 o   86.853   17.557  3354.49  1195.59  4668.94  5778.51  3295.70  1222.04  100.007   42.016   85.862   18.099 14.14546 45.74830 
1 1 1   38   24   15 o   62.405   18.689  1751.80  1021.20  4319.56  6078.65  1677.23  1035.92   95.724   41.698   61.251   18.921 34.47327 45.79057 
1 1 1   38   24   16 o   35.382   16.054 -423.1637  999.580   0.0000   0.0000 -423.1637  999.580  ?   ?    35.382   16.054 0.000000 16.05359 
1 1 1   38   24   17 o   46.656   18.594  695.305  1059.02   0.0000   0.0000  695.305  1059.02  ?   ?    46.656   18.594 0.000000 18.59379 
1 1 1   38   24   18 o   38.395   17.359 -262.6883  1156.66   0.0000   0.0000 -262.6883  1156.66  ?   ?    38.395   17.359 0.000000 17.35888 
1 1 1   38   26    0 o  166.468   17.092 11605.84  2277.51   0.0000   0.0000 11605.84  2277.51  ?   ?   166.468   17.092 0.000000 17.09228 
1 1 1   38   26    1 o  156.556   16.792 10270.17  2101.19   0.0000   0.0000 10270.17  2101.19  ?   ?   156.556   16.792 0.000000 16.79156 
1 1 1   38   26    2 o  212.488   17.785 18906.08  3040.22   0.0000   0.0000 18906.08  3040.22  ?   ?   212.488   17.785 0.000000 17.78464 
1 1 1   38   26    3 o   97.049   18.992  4063.45  1442.97   0.0000   0.0000  4063.45  1442.97  ?   ?    97.049   18.992 0.000000 18.99176 
1 1 1   38   26    4 o  206.572   15.940 17814.05  2652.95 27866.20  5708.81 15045.29  2996.12  251.837   28.415  188.276   19.900 63.56071 34.69057 
1 1 1   38   26    5 o  161.640   10.662 10768.70  1391.49   0.0000   0.0000 10768.70  1391.49  ?   ?   161.640   10.662 0.000000 10.66207 
1 1 1   38   26    6 o  235.714   13.512 23058.72  2575.27 18693.59  6888.58 23767.91  2776.60  192.386   44.914  238.983   14.376 -46.59709 47.15886 
1 1 1   38   26    7 o  134.492   10.271  7472.93  1113.10 10761.12  4504.93  7259.13  1148.71  148.807   37.344  132.427   10.777 16.38052 38.86766 
1 1 1   38   26    8 o   99.932   11.702  4176.14  931.549  5596.31  4613.90  4115.79  951.137  109.884   39.959   99.105   12.069 10.77909 41.74201 
1 1 1   38   26    9 o  107.910   11.900  4873.39  1025.32 12021.36  5032.86  4563.88  1047.28  153.314   40.006  104.186   12.639 49.12796 41.95472 
1 1 1   38   26   10 o  132.993   12.587  7412.61  1343.02 10913.99  5566.66  7196.21  1383.90  141.253   43.899  130.814   13.210 10.43878 45.84386 
1 1 1   38   26   11 o   68.165   16.231  2044.17  885.479  1225.73  5274.19  2067.91  898.229   86.850   38.305   68.536   16.366 18.31409 41.65456 
1 1 1   38   26   12 o  128.255   14.138  7006.66  1447.87  6137.46  5352.68  7075.27  1503.94  107.836   42.164  128.668   14.657 -20.83190 44.63869 
1 1 1   38   26   13 o  102.856   15.973  4623.56  1290.74 -1062.5640  6430.68  4862.25  1317.56   81.982   38.417  105.576   15.860 -23.59372 41.56227 
1 1 1   38   26   14 o   92.919   18.119  3905.24  1317.90 15728.96  7129.40  3486.92  1341.01  144.319   49.945   87.046   19.462 57.27311 53.60310 
1 1 1   38   26   15 o   73.725   19.847  2567.73  1214.42   0.0000   0.0000  2567.73  1214.42  ?   ?    73.725   19.847 0.000000 19.84708 
1 1 1   38   26   16 f   78.064   20.884  2998.51  1349.65   0.0000   0.0000  2998.51  1349.65  ?   ?    78.064   20.884 0.000000 20.88415 
1 1 1   38   26   17 o   57.649   20.662  1589.19  1228.07   0.0000   0.0000  1589.19  1228.07  ?   ?    57.649   20.662 0.000000 20.66242 
1 1 1   38   28    0 o  206.876   18.716 18180.20  3109.77   0.0000   0.0000 18180.20  3109.77  ?   ?   206.876   18.716 0.000000 18.71579 
1 1 1   38   28    1 o  237.085   19.285 23903.54  3680.21   0.0000   0.0000 23903.54  3680.21  ?   ?   237.085   19.285 0.000000 19.28457 
1 1 1   38   28    2 o  175.238   18.389 13069.65  2577.47   0.0000   0.0000 13069.65  2577.47  ?   ?   175.238   18.389 0.000000 18.38858 
1 1 1   38   28    3 o  270.053   20.718 31245.36  4508.28   0.0000   0.0000 31245.36  4508.28  ?   ?   270.053   20.718 0.000000 20.71794 
1 1 1   38   28    4 o   71.455   23.484  2162.59  1576.21   0.0000   0.0000  2162.59  1576.21  ?   ?    71.455   23.484 0.000000 23.48410 
1 1 1   38   28    5 o  163.101   10.776 11005.83  1419.08 12922.20  5628.27 10875.74  1466.45  157.716   42.840  162.005   11.217 -4.289032 44.28418 
1 1 1   38   28    6 o  282.071   11.886 32921.88  2722.26 45650.64  7753.79 31132.31  2907.34  314.809   30.726  273.754   13.080 41.05533 33.39368 
1 1 1   38   28    7 f  115.123   11.125  5525.50  1026.98  2247.65  4528.21  5703.25  1054.46   88.814   37.247  116.943   11.244 -28.12918 38.90726 
1 1 1   38   28    8 o  157.535   12.147 10365.83  1541.82  5061.38  5431.66 10830.69  1607.96  105.508   42.090  160.955   12.399 -55.44691 43.87847 
1 1 1   38   28    9 o   70.880   13.807  2172.44  766.036  1205.39  5702.05  2190.21  773.044   88.698   39.437   71.157   13.878 17.54159 41.80807 
1 1 1   38   28   10 o   19.014   9.4259 -1279.7190  549.753  8248.26  5907.93 -1362.9420  552.149  119.114   44.869   18.674   9.2891 100.4400 45.82072 
1 1 1   38   28   11 o  227.764   14.164 22038.67  2606.53 28540.26  8786.25 21411.27  2729.40  208.564   52.049  223.809   15.108 -15.24431 54.19755 
1 1 1   38   28   12 o  209.832   14.150 18823.81  2396.80 30942.66  8007.71 17631.27  2511.97  224.810   45.432  202.098   15.424 22.71133 47.97853 
1 1 1   38   28   13 o   82.827   18.905  3170.68  1243.37   0.0000   0.0000  3170.68  1243.37  ?   ?    82.827   18.905 0.000000 18.90463 
1 1 1   38   28   14 o  110.355   17.294  5541.37  1498.73   0.0000   0.0000  5541.37  1498.73  ?   ?   110.355   17.294 0.000000 17.29424 
1 1 1   38   28   15 o   33.923   16.107 -1139.0510  1200.16   0.0000   0.0000 -1139.0510  1200.16  ?   ?    33.923   16.107 0.000000 16.10701 
1 1 1   38   28   16 o   40.444   18.889 -758.9403  1533.03   0.0000   0.0000 -758.9403  1533.03  ?   ?    40.444   18.889 0.000000 18.88914 
1 1 1   38   30    0 o   79.938   30.858  2390.97  2838.76   0.0000   0.0000  2390.97  2838.76  ?   ?    79.938   30.858 0.000000 30.85797 
1 1 1   38   30    1 o  114.088   32.950  6343.27  3223.16   0.0000   0.0000  6343.27  3223.16  ?   ?   114.088   32.950 0.000000 32.94986 
1 1 1   38   30    2 o  223.059   21.973 21823.61  3928.02   0.0000   0.0000 21823.61  3928.02  ?   ?   223.059   21.973 0.000000 21.97320 
1 1 1   38   30    3 o  154.493   31.945 11471.02  3875.00   0.0000   0.0000 11471.02  3875.00  ?   ?   154.493   31.945 0.000000 31.94549 
1 1 1   38   30    4 o  113.061   34.739  6373.93  3497.26   0.0000   0.0000  6373.93  3497.26  ?   ?   113.061   34.739 0.000000 34.73943 
1 1 1   38   30    5 f  217.385   12.677 19756.94  2227.89 25632.19  7786.19 19233.03  2325.10  214.775   46.032  214.091   13.444 0.6845551 47.95479 
1 1 1   38   30    6 o   88.685   10.153  3290.44  717.930  2677.69  5884.65  3299.70  723.334   94.769   41.156   88.794   10.219 5.974800 42.40525 
1 1 1   38   30    7 o   93.768   10.976  3695.95  819.889  2017.49  6145.89  3726.36  827.283   92.372   41.013   94.142   11.032 -1.769913 42.47100 
1 1 1   38   30    8 o   42.408   14.114  728.216  568.693  5699.46  6181.53  685.781  571.115  105.393   43.804   41.589   14.145 63.80365 46.03115 
1 1 1   38   30    9 o   66.308   15.087  1942.99  793.969  1612.02  6649.72  1947.77  799.690   90.075   41.076   66.369   15.170 23.70650 43.78747 
1 1 1   38   30   10 f   78.579   15.752  2740.60  970.060 12015.37  7775.79  2593.97  977.698  124.673   50.141   76.198   16.296 48.47428 52.72277 
1 1 1   38   30   11 o  103.982   15.201  4752.63  1245.55   0.0000   0.0000  4752.63  1245.55  ?   ?   103.982   15.201 0.000000 15.20137 
1 1 1   38   30   12 o  117.712   15.599  6152.69  1454.20   0.0000   0.0000  6152.69  1454.20  ?   ?   117.712   15.599 0.000000 15.59908 
1 1 1   38   30   13 o   47.534   18.476  810.937  1023.09   0.0000   0.0000  810.937  1023.09  ?   ?    47.534   18.476 0.000000 18.47582 
1 1 1   38   30   14 o  117.741   17.139  6480.12  1590.42   0.0000   0.0000  6480.12  1590.42  ?   ?   117.741   17.139 0.000000 17.13868 
1 1 1   38   32    0 o  180.082   22.865 14662.04  3267.95   0.0000   0.0000 14662.04  3267.95  ?   ?   180.082   22.865 0.000000 22.86473 
1 1 1   38   32    1 o  203.053   23.729 18734.90  3838.43   0.0000   0.0000 18734.90  3838.43  ?   ?   203.053   23.729 0.000000 23.72872 
1 1 1   38   32    2 o   99.330   28.193  4789.64  2379.54   0.0000   0.0000  4789.64  2379.54  ?   ?    99.330   28.193 0.000000 28.19276 
1 1 1   38   32    3 o  125.424   27.276  7536.29  2698.71   0.0000   0.0000  7536.29  2698.71  ?   ?   125.424   27.276 0.000000 27.27648 
1 1 1   38   32    4 o  192.611   27.336 17567.92  4155.18   0.0000   0.0000 17567.92  4155.18  ?   ?   192.611   27.336 0.000000 27.33570 
1 1 1   38   32    5 o  223.348   26.182 23428.10  4658.06   0.0000   0.0000 23428.10  4658.06  ?   ?   223.348   26.182 0.000000 26.18207 
1 1 1   38   32    6 o  302.687   15.100 39143.65  3711.05 59003.28 12052.01 37063.44  3900.56  303.712   50.656  292.781   16.475 10.93088 53.26783 
1 1 1   38   32    7 o  199.042   12.473 16758.32  2005.57 20119.05  9364.75 16596.77  2053.21  150.926   56.562  197.832   12.852 -46.90697 58.00325 
1 1 1   38   32    8 o  148.800   12.325  9411.90  1475.70 17637.02  9046.74  9187.07  1495.73  137.782   54.523  146.816   12.671 -9.034637 55.97586 
1 1 1   38   32    9 o   99.651   13.386  4309.57  1055.75   0.0000   0.0000  4309.57  1055.75  ?   ?    99.651   13.386 0.000000 13.38648 
1 1 1   38   32   10 o   62.125   17.137  1780.68  892.545   0.0000   0.0000  1780.68  892.545  ?   ?    62.125   17.137 0.000000 17.13710 
1 1 1   38   32   11 o  130.309   14.700  7545.51  1528.20   0.0000   0.0000  7545.51  1528.20  ?   ?   130.309   14.700 0.000000 14.70027 
1 1 1   38   32   12 o  108.729   17.395  5542.53  1483.94   0.0000   0.0000  5542.53  1483.94  ?   ?   108.729   17.395 0.000000 17.39497 
1 1 1   38   32   13 o   43.703   18.551  443.016  1145.27   0.0000   0.0000  443.016  1145.27  ?   ?    43.703   18.551 0.000000 18.55079 
1 1 1   38   34    0 o   59.377   24.579  947.192  1935.09   0.0000   0.0000  947.192  1935.09  ?   ?    59.377   24.579 0.000000 24.57949 
1 1 1   38   34    1 o  232.735   27.184 26366.26  5040.30   0.0000   0.0000 26366.26  5040.30  ?   ?   232.735   27.184 0.000000 27.18423 
1 1 1   38   34    2 o  106.572   32.432  6137.72  3057.39   0.0000   0.0000  6137.72  3057.39  ?   ?   106.572   32.432 0.000000 32.43201 
1 1 1   38   34    3 o   60.168   26.054  549.436  2344.94   0.0000   0.0000  549.436  2344.94  ?   ?    60.168   26.054 0.000000 26.05437 
1 1 1   38   34    4 o   60.845   27.254   26.983  2777.37   0.0000   0.0000   26.983  2777.37  ?   ?    60.845   27.254 0.000000 27.25449 
1 1 1   38   34    5 o   91.685   32.454  4595.39  3020.62   0.0000   0.0000  4595.39  3020.62  ?   ?    91.685   32.454 0.000000 32.45376 
1 1 1   38   34    6 o   23.385   10.031  -3.9523  341.201   0.0000   0.0000  -3.9523  341.201  ?   ?    23.385   10.031 0.000000 10.03069 
1 1 1   38   34    7 f   92.952   11.178  3702.42  826.726   0.0000   0.0000  3702.42  826.726  ?   ?    92.952   11.178 0.000000 11.17787 
1 1 1   38   34    8 o   25.542   10.796   47.512  385.243   0.0000   0.0000   47.512  385.243  ?   ?    25.542   10.796 0.000000 10.79588 
1 1 1   38   34    9 o   37.562   14.784  432.247  661.833   0.0000   0.0000  432.247  661.833  ?   ?    37.562   14.784 0.000000 14.78420 
1 1 1   38   34   10 o  116.087   14.678  6103.15  1352.60   0.0000   0.0000  6103.15  1352.60  ?   ?   116.087   14.678 0.000000 14.67792 
1 1 1   38   34   11 o   55.799   18.953  1523.92  1025.40   0.0000   0.0000  1523.92  1025.40  ?   ?    55.799   18.953 0.000000 18.95307 
1 1 1   38   36    0 o  102.802   34.166  6545.01  3332.80   0.0000   0.0000  6545.01  3332.80  ?   ?   102.802   34.166 0.000000 34.16597 
1 1 1   38   36    1 o   91.652   33.972  5150.45  3360.17   0.0000   0.0000  5150.45  3360.17  ?   ?    91.652   33.972 0.000000 33.97244 
1 1 1   38   36    2 o  105.051   34.414  6904.49  3385.89   0.0000   0.0000  6904.49  3385.89  ?   ?   105.051   34.414 0.000000 34.41426 
1 1 1   38   36    3 o   92.785   35.040  5555.90  3608.40   0.0000   0.0000  5555.90  3608.40  ?   ?    92.785   35.040 0.000000 35.03966 
1 1 1   38   36    4 o   73.370   31.761  2455.23  3482.33   0.0000   0.0000  2455.23  3482.33  ?   ?    73.370   31.761 0.000000 31.76077 
1 1 1   38   36    5 o   51.446   24.648 -1960.8051  2944.83   0.0000   0.0000 -1960.8051  2944.83  ?   ?    51.446   24.648 0.000000 24.64761 
1 1 1   38   36    6 o   38.010   12.041  624.229  416.778   0.0000   0.0000  624.229  416.778  ?   ?    38.010   12.041 0.000000 12.04128 
1 1 1   38   36    7 o   22.684   9.9546 -57.1295  352.168   0.0000   0.0000 -57.1295  352.168  ?   ?    22.684   9.9546 0.000000 9.954607 
1 1 1   38   36    8 o   21.452   9.8070 -216.8815  382.064   0.0000   0.0000 -216.8815  382.064  ?   ?    21.452   9.8070 0.000000 9.807000 
1 1 1   38   38    0 o   85.705   35.863  6278.61  4183.30   0.0000   0.0000  6278.61  4183.30  ?   ?    85.705   35.863 0.000000 35.86260 
1 1 1   38   38    1 o   83.145   34.929  5638.12  3992.90   0.0000   0.0000  5638.12  3992.90  ?   ?    83.145   34.929 0.000000 34.92860 
1 1 1   38   38    2 f   55.170   26.442 -984.5151  3396.64   0.0000   0.0000 -984.5151  3396.64  ?   ?    55.170   26.442 0.000000 26.44203 
1 1 1   38   38    3 o   88.492   36.925  7379.23  4417.33   0.0000   0.0000  7379.23  4417.33  ?   ?    88.492   36.925 0.000000 36.92536 
1 1 1   38   38    4 o   57.714   27.629 -262.5286  3683.96   0.0000   0.0000 -262.5286  3683.96  ?   ?    57.714   27.629 0.000000 27.62863 
1 1 1   38   38    5 o   80.341   39.235 11501.71  8418.77   0.0000   0.0000 11501.71  8418.77  ?   ?    80.341   39.235 0.000000 39.23512 
1 1 1   39    1    0 o  462.458   23.300 87346.48  8720.99 87716.12 12334.99 86977.05 12331.69  462.046   33.098  460.065   33.235 1.980896 46.90467 
1 1 1   39    1    1 o  889.026   43.099 324785.91 31111.09 354264.31 43983.90 295270.31 44011.57  921.881   59.071  838.911   65.122 82.96967 87.92182 
1 1 1   39    1    2 o  596.860   21.252 145088.00 10299.60 151348.09 14556.61 138812.00 14575.07  608.714   29.452  581.969   30.955 26.74481 42.72741 
1 1 1   39    1    3 o  570.260   22.789 132573.59 10552.11 115920.50 18346.44 140805.91 12899.23  528.752   43.108  587.201   27.054 -58.44922 50.89443 
1 1 1   39    1    4 o  248.669   11.537 25137.03  2329.42 21178.59  4117.85 26999.85  2824.84  226.719   22.673  257.299   13.569 -30.57921 26.42313 
1 1 1   39    1    5 o  299.516   16.790 36657.64  4066.81 29332.35  5877.32 43386.88  5633.13  266.192   27.593  325.315   21.446 -59.12314 34.94732 
1 1 1   39    1    6 o  460.543   33.643 87972.52 12493.78 87972.52 12493.78   0.0000   0.0000  460.543   33.643  ?   ?  0.000000 33.64346 
1 1 1   39    1    7 o  639.839   32.405 169498.50 16780.23 169498.50 16780.23   0.0000   0.0000  639.839   32.405  ?   ?  0.000000 32.40468 
1 1 1   39    1    8 o  369.845   26.749 56519.84  7978.61 56519.84  7978.61   0.0000   0.0000  369.845   26.749  ?   ?  0.000000 26.74909 
1 1 1   39    1    9 o  418.517   17.315 71525.10  5884.05 75654.61 10096.50 69401.23  7240.77  427.182   29.285  411.006   21.775 16.17584 36.49327 
1 1 1   39    1   10 o  347.135   14.690 49150.05  4140.47 54932.61  7077.71 46141.49  5105.19  364.813   24.028  335.328   18.826 29.48505 30.52515 
1 1 1   39    1   11 o  407.295   16.984 67819.99  5616.79 68364.13  6850.00 66703.39  9812.58  407.714   20.760  399.780   30.458 7.934631 36.86047 
1 1 1   39    1   12 o  398.096   14.222 64699.36  4597.29 65263.73  6509.84 64137.85  6493.29  398.213   20.199  394.720   20.329 3.492859 28.65806 
1 1 1   39    1   13 o  237.759   10.020 23024.02  1934.40 23142.82  2741.60 22906.24  2729.75  237.558   14.280  236.333   14.292 1.224243 20.20357 
1 1 1   39    1   14 o  202.341   9.3455 16681.44  1535.41 16135.46  2164.69 17234.25  2178.18  198.163   13.534  204.893   13.162 -6.730011 18.87927 
1 1 1   39    1   15 o  181.009   9.3408 13404.40  1368.18 13387.89  1938.76 13420.77  1931.05  180.184   13.347  180.421   13.275 -0.2373962 18.82425 
1 1 1   39    1   16 o   31.964   12.720  219.268  494.977  378.575  770.433  107.293  645.918   40.249   15.916   33.925   14.135 6.324421 21.28666 
1 1 1   39    1   17 o  224.915   10.401 20758.00  1899.49 19010.35  2678.46 22526.22  2694.18  213.311   15.572  232.781   14.324 -19.46931 21.15787 
1 1 1   39    1   18 o   63.863   14.081  1759.06  710.502  717.563  1000.02  2820.73  1009.65   48.223   18.390   80.804   15.955 -32.58067 24.34624 
1 1 1   39    1   19 o  156.723   10.061 10162.24  1273.54 10570.90  1800.00  9752.61  1802.12  158.440   14.140  151.876   14.802 6.563675 20.47038 
1 1 1   39    1   20 o  188.452   10.641 14766.13  1621.60 14617.72  2272.95 14919.97  2314.17  185.233   15.248  187.079   15.371 -1.846237 21.65061 
1 1 1   39    1   21 o   25.868   12.109 -590.4327  635.952  -3.3103  964.219 -1042.4800  846.064   38.666   16.725   27.973   13.350 10.69301 21.39971 
1 1 1   39    1   22 o  134.167   10.917  7632.19  1178.93  7903.55  1631.82  7335.91  1705.11  133.913   15.281  127.929   16.823 5.984276 22.72734 
1 1 1   39    1   23 o   56.942   16.538  1518.92  809.922  1137.55  1035.98  2118.43  1298.91   51.455   18.901   65.300   21.312 -13.84480 28.48538 
1 1 1   39    3    0 o  291.913   22.741 34922.64  5347.70   0.0000   0.0000 34922.64  5347.70  ?   ?   291.913   22.741 0.000000 22.74132 
1 1 1   39    3    1 o  601.386   42.438 149361.20 20589.60   0.0000   0.0000 149361.20 20589.60  ?   ?   601.386   42.438 0.000000 42.43779 
1 1 1   39    3    2 o  321.271   17.162 42114.36  4460.64 43665.80  6398.48 40647.41  6221.83  326.347   24.321  314.773   24.537 11.57358 34.54864 
1 1 1   39    3    3 o  585.640   29.156 140260.91 13864.32 130928.30 19696.26 149426.30 19519.16  561.723   43.524  601.219   40.216 -39.49609 59.25938 
1 1 1   39    3    4 o  1194.01   49.409 593521.38 47901.89 609075.12 58673.95 562434.12 82950.54  1202.42   60.097  1126.14   91.509 76.28674 109.4782 
1 1 1   39    3    5 o  745.969   36.945 229828.50 22377.44 250011.00 31573.36 209457.91 31720.11  770.752   50.734  702.436   56.082 68.31580 75.62540 
1 1 1   39    3    6 o  185.551   8.3906 13992.64  1264.15 16038.48  1784.91 11933.64  1790.65  198.262   11.133  170.736   13.015 27.52554 17.12647 
1 1 1   39    3    7 o  446.816   16.533 81424.38  5998.09 89920.91  8489.78 72956.57  8475.40  468.672   22.309  421.014   24.904 47.65860 33.43499 
1 1 1   39    3    8 o  246.936   11.104 24810.97  2226.32 25750.52  2753.50 23037.09  3783.44  251.068   13.557  236.547   19.883 14.52098 24.06492 
1 1 1   39    3    9 o  336.146   14.844 46073.73  4051.58 47768.31  4950.59 42636.55  7050.59  341.473   17.918  320.592   27.347 20.88156 32.69393 
1 1 1   39    3   10 o  132.244   9.1003  7146.53  971.228  7570.42  1171.33  6213.92  1737.42  135.966   10.696  121.985   18.089 13.98093 21.01519 
1 1 1   39    3   11 o  729.610   35.856 222985.70 21241.81 216004.80 29912.92 230086.91 30169.65  704.075   52.706  727.990   51.369 -23.91522 73.59863 
1 1 1   39    3   12 o  524.806   26.071 113948.80 11109.35   0.0000   0.0000 113948.80 11109.35  ?   ?   524.806   26.071 0.000000 26.07062 
1 1 1   39    3   13 o  403.012   15.000 66427.50  4908.43 68373.06  6973.78 64517.47  6909.79  406.861   21.183  395.051   21.623 11.80975 30.27034 
1 1 1   39    3   14 o  209.318   9.4907 17855.98  1613.03 17927.02  2303.84 17787.67  2259.16  208.873   13.659  208.096   13.442 0.7772064 19.16438 
1 1 1   39    3   15 o   44.185   13.829  794.584  551.305  877.705  777.040  710.330  782.314   48.130   16.498   45.470   16.466 2.659561 23.30951 
1 1 1   39    3   16 o  450.279   16.622 84161.15  6077.16 84066.75  8621.74 84254.35  8567.32  444.222   23.992  444.883   23.803 -0.6608887 33.79683 
1 1 1   39    3   17 o  166.670   9.2289 11408.93  1244.08 13001.75  1792.53  9928.65  1728.04  177.128   12.545  154.280   13.945 22.84767 18.75734 
1 1 1   39    3   18 o   81.177   11.718  2773.80  749.990  3726.34  1049.92  1781.33  1071.70   93.648   14.258   64.236   19.124 29.41175 23.85427 
1 1 1   39    3   19 o  190.369   10.130 14982.68  1560.18 15046.20  2179.41 14915.92  2234.46  189.106   14.299  188.070   14.751 1.035583 20.54394 
1 1 1   39    3   20 o   70.634   12.928  2149.21  714.136  1610.17  967.443  2794.60  1058.58   60.573   18.201   79.487   16.921 -18.91442 24.85159 
1 1 1   39    3   21 o   87.849   11.856  3292.62  824.065  3121.21  1109.47  3503.57  1230.76   83.525   16.939   88.234   17.793 -4.709053 24.56653 
1 1 1   39    3   22 o   89.229   13.083  3472.79  919.714  3949.91  1278.36  2960.85  1324.19   92.877   17.595   78.671   20.517 14.20646 27.02859 
1 1 1   39    3   23 o   81.205   15.229  3024.01  967.267  3299.12  1323.64  2708.74  1416.97   81.641   20.101   72.700   22.069 8.941795 29.85133 
1 1 1   39    5    0 o  749.297   40.688 231374.80 24662.25 279209.00 34661.79 182330.00 35097.68  819.482   52.366  656.394   66.783 163.0879 84.86564 
1 1 1   39    5    1 o  171.344   16.493 12054.03  2266.23   0.0000   0.0000 12054.03  2266.23  ?   ?   171.344   16.493 0.000000 16.49283 
1 1 1   39    5    2 f  257.922   11.750 27039.46  2460.77 28302.63  2999.19 24437.51  4304.48  263.437   14.072  243.863   21.975 19.57401 26.09455 
1 1 1   39    5    3 o  214.718   10.437 18737.53  1819.63 20903.20  2968.05 17433.34  2303.26  226.032   16.281  206.568   13.812 19.46414 21.35035 
1 1 1   39    5    4 o  558.009   22.623 127172.10 10249.92 133954.20 17570.57 123673.50 12619.71  568.318   38.300  548.619   28.427 19.69952 47.69665 
1 1 1   39    5    5 o  126.863   6.8936  6557.63  707.435  6207.63  996.805  6912.82  1004.16  123.158   10.056  130.054   9.5766 -6.895584 13.88630 
1 1 1   39    5    6 o  420.006   14.742 71868.61  5027.31 76989.05  7118.91 66774.59  7100.52  434.046   20.199  403.445   21.756 30.60089 29.68726 
1 1 1   39    5    7 o  538.107   19.563 118336.80  8547.48 130755.00 12105.63 105990.70 12070.38  564.105   26.430  506.327   29.487 57.77853 39.59829 
1 1 1   39    5    8 o  277.699   10.695 31375.17  2411.48 34243.74  3430.94 28574.43  3390.13  289.480   14.644  264.206   15.877 25.27380 21.59911 
1 1 1   39    5    9 o  544.165   22.234 121436.10  9824.10 127711.40 12040.83 108940.50 16991.02  556.836   26.631  507.574   41.592 49.26111 49.38759 
1 1 1   39    5   10 o  393.467   14.207 63142.00  4538.99 65959.95  6454.81 60385.57  6383.98  401.285   19.810  383.283   20.589 18.00208 28.57168 
1 1 1   39    5   11 o  295.180   13.265 35533.28  3179.22 37310.29  3899.14 32008.58  5491.41  301.753   15.971  277.602   24.618 24.15091 29.34466 
1 1 1   39    5   12 o  370.143   19.883 56417.18  5953.84 57146.24  8582.96 55740.97  8265.99  369.707   28.819  365.375   28.077 4.332123 40.23541 
1 1 1   39    5   13 o  396.621   20.611 64970.21  6614.74 65712.82  9220.25 64182.65  9495.12  395.675   28.899  390.440   30.185 5.235626 41.78866 
1 1 1   39    5   14 f  192.975   10.269 15233.75  1603.20 15627.60  2666.15 15010.68  2006.47  194.189   17.083  191.117   13.007 3.072250 21.47137 
1 1 1   39    5   15 o   86.283   9.6825  3078.12  666.637  3101.25  958.312  3056.45  927.956   85.740   14.267   85.179   13.896 0.5606689 19.91593 
1 1 1   39    5   16 o  130.190   8.6697  6955.27  911.228  7239.02  1260.44  6644.59  1318.89  132.229   11.866  126.379   13.040 5.850594 17.63083 
1 1 1   39    5   17 o  242.958   10.489 24241.94  2069.28 23934.87  2956.03 24537.00  2897.65  239.433   15.285  242.653   14.777 -3.220306 21.26013 
1 1 1   39    5   18 o  114.590   9.6580  5431.56  890.235  6382.56  1277.21  4532.97  1241.52  123.434   12.936  103.116   15.292 20.31838 20.02907 
1 1 1   39    5   19 o   92.049   11.197  3556.05  819.627  3178.12  1123.15  3986.61  1198.80   85.270   16.820   96.069   15.926 -10.79941 23.16322 
1 1 1   39    5   20 o   45.171   15.152  825.912  655.262  800.087  910.752  853.627  943.474   47.606   17.679   48.745   18.015 -1.138828 25.24024 
1 1 1   39    5   21 o   54.820   15.277  1332.89  705.381  1402.07  941.285  1244.27  1065.31   56.532   18.116   54.842   19.288 1.689865 26.46147 
1 1 1   39    5   22 o  107.441   11.359  4940.50  975.942  4158.65  1233.45  6249.45  1595.94   95.863   16.438  117.346   17.266 -21.48244 23.83951 
1 1 1   39    5   23 o  108.570   12.280  5173.54  1063.51  4538.65  1361.37  6167.74  1703.60   97.782   17.803  112.999   19.258 -15.21684 26.22606 
1 1 1   39    7    0 o  1076.32   77.132 497527.69 66961.66   0.0000   0.0000 497527.69 66961.66  ?   ?   1076.32   77.132 0.000000 77.13222 
1 1 1   39    7    1 o  446.793   32.497 82276.34 11708.68   0.0000   0.0000 82276.34 11708.68  ?   ?   446.793   32.497 0.000000 32.49736 
1 1 1   39    7    2 f  600.587   29.284 147757.80 14280.38 161710.50 20289.52 134060.70 20102.79  624.617   40.219  567.311   43.985 57.30597 59.60096 
1 1 1   39    7    3 o  1068.81   38.803 472118.09 33675.11 469519.19 41226.54 477328.81 58374.82  1061.00   47.855  1053.23   68.634 7.764771 83.67043 
1 1 1   39    7    4 o  847.102   29.309 294791.41 20159.43 313716.41 28489.79 275813.41 28529.71  869.301   40.363  812.644   43.394 56.65735 59.26395 
1 1 1   39    7    5 o  606.589   21.256 150448.30 10469.07 156675.30 14807.32 144224.30 14803.68  616.976   29.558  590.791   30.968 26.18475 42.80965 
1 1 1   39    7    6 o  674.640   23.357 186505.20 12794.70 206525.80 18113.37 166568.00 18075.56  707.235   31.543  632.886   35.315 74.34949 47.35086 
1 1 1   39    7    7 o  589.631   20.512 142229.09  9820.23 155852.70 13909.66 128690.50 13866.24  615.253   27.844  557.420   30.755 57.83325 41.48681 
1 1 1   39    7    8 o  626.908   26.328 161737.50 13401.82 167874.91 16431.60 149541.91 23162.58  636.732   31.782  591.548   48.655 45.18414 58.11545 
1 1 1   39    7    9 o  116.284   8.5011  5527.59  797.101  5617.27  979.995  5352.29  1370.20  117.030   10.422  113.533   15.249 3.496254 18.47039 
1 1 1   39    7   10 o   33.090   10.720  430.838  328.905 -110.9818  437.764  1133.13  498.394   25.352   11.113   51.709   12.087 -26.35727 16.41931 
1 1 1   39    7   11 o  150.604   8.0016  9250.17  974.966 10959.89  1396.19  7623.01  1362.06  163.721   10.559  136.181   12.456 27.53960 16.32931 
1 1 1   39    7   12 o  691.084   25.505 197776.00 14311.96 201621.59 20294.82 193971.50 20185.95  689.990   36.353  676.321   36.898 13.66968 51.79761 
1 1 1   39    7   13 o  224.731   10.485 20588.47  1913.22 19155.33  2349.32 23410.54  3296.72  216.072   13.458  238.222   17.159 -22.15024 21.80645 
1 1 1   39    7   14 o  225.966   11.595 20925.45  2120.23 21401.57  2601.89 19984.41  3657.94  228.017   14.123  218.525   20.869 9.492081 25.19895 
1 1 1   39    7   15 o  143.017   11.827  8441.49  1361.10 10318.62  1759.77  5646.44  2147.34  157.771   13.878  113.672   24.018 44.09873 27.73895 
1 1 1   39    7   16 o  184.935   10.085 14053.54  1508.61 13566.19  2434.28 14357.44  1922.25  179.764   16.875  186.259   12.788 -6.495117 21.17286 
1 1 1   39    7   17 o   21.533   9.9392 -321.8013  405.725 -112.4482  524.900 -632.5319  639.483   27.825   12.183   25.885   12.125 1.939945 17.18884 
1 1 1   39    7   18 o   18.117   8.9285 -1001.2560  468.102 -203.0191  622.022 -2043.6710  710.821   29.396   13.050   20.066   10.065 9.329273 16.48042 
1 1 1   39    7   19 o   72.955   12.598  2275.77  719.293  2441.91  941.969  2043.41  1114.01   74.674   16.016   67.888   19.298 6.785690 25.07810 
1 1 1   39    7   20 o  102.248   10.597  4386.61  866.980  4127.21  1124.27  4767.18  1361.77   97.748   14.614  104.328   16.634 -6.580002 22.14173 
1 1 1   39    7   21 o   58.647   14.774  1533.65  703.167  1217.52  916.602  1985.77  1096.18   53.340   17.920   65.776   19.279 -12.43575 26.32141 
1 1 1   39    7   22 o  183.422   10.908 14297.26  1617.25 15211.85  2247.39 13314.98  2329.08  185.568   15.045  171.744   16.922 13.82449 22.64281 
1 1 1   39    9    0 o  351.066   26.694 50740.46  7552.10   0.0000   0.0000 50740.46  7552.10  ?   ?   351.066   26.694 0.000000 26.69350 
1 1 1   39    9    1 o  176.450   17.132 12804.11  2423.61   0.0000   0.0000 12804.11  2423.61  ?   ?   176.450   17.132 0.000000 17.13214 
1 1 1   39    9    2 o  172.199   12.168 12122.16  1690.38 12100.07  2482.56 12141.25  2308.08  171.318   18.122  171.802   16.759 -0.4839172 24.68325 
1 1 1   39    9    3 f  248.132   14.463 25158.09  2901.36 28281.15  4212.88 22340.49  4001.56  262.422   19.920  232.830   21.406 29.59203 29.24125 
1 1 1   39    9    4 o  235.344   11.308 22532.89  2160.85 22421.21  3932.47 22581.19  2586.30  233.244   20.989  235.096   13.607 -1.851898 25.01368 
1 1 1   39    9    5 o  345.590   13.497 48641.23  3787.47 52411.91  5348.22 44847.71  5364.40  357.774   18.473  330.613   20.078 27.16119 27.28366 
1 1 1   39    9    6 o  254.264   10.720 26302.15  2213.27 28326.36  3129.84 24277.44  3130.23  263.218   14.703  243.461   15.922 19.75694 21.67260 
1 1 1   39    9    7 o  684.808   28.312 193371.80 15742.51 201195.50 19313.07 177881.09 27175.58  696.078   34.171  643.045   52.506 53.03296 62.64570 
1 1 1   39    9    8 o  622.027   21.397 158604.50 10806.73 165308.09 15315.88 151958.00 15250.37  632.178   29.838  604.860   31.158 27.31708 43.14029 
1 1 1   39    9    9 o  338.076   15.619 46665.19  4287.42 50328.91  5267.47 39473.39  7380.06  350.204   18.591  307.260   29.962 42.94467 35.26146 
1 1 1   39    9   10 o   95.013   7.2323  3691.21  553.765  2864.84  755.939  4648.23  813.510   83.078   11.516  106.456   9.5116 -23.37817 14.93615 
1 1 1   39    9   11 o  492.441   17.108 99284.94  6840.58 98021.66  9725.04 100522.10  9623.83  486.494   24.700  493.490   24.018 -6.995880 34.45223 
1 1 1   39    9   12 o  304.475   11.665 37808.98  2883.87 39378.52  4124.23 36307.31  4034.09  309.606   16.465  297.183   16.787 12.42258 23.51347 
1 1 1   39    9   13 o  202.128   9.6944 16653.20  1591.06 18098.31  2280.99 15283.80  2220.43  209.908   13.454  192.673   14.295 17.23495 19.63047 
1 1 1   39    9   14 o  371.432   13.970 56654.77  4213.17 56736.13  6026.10 56576.98  5892.79  368.908   20.194  368.593   19.762 0.3155823 28.25480 
1 1 1   39    9   15 o  196.709   11.046 15909.19  1757.20 17241.36  2149.97 13228.79  3049.67  204.314   13.028  176.053   21.800 28.26088 25.39605 
1 1 1   39    9   16 o   80.369   11.647  2710.04  737.927  3093.47  867.751  1708.41  1402.50   85.695   12.869   65.240   22.166 20.45451 25.63056 
1 1 1   39    9   17 o  149.341   9.8508  9197.86  1187.80 10637.17  1814.23  8118.05  1571.41  159.385   14.166  139.101   14.108 20.28394 19.99319 
1 1 1   39    9   18 o   73.601   11.162  2286.50  646.126  1855.38  842.673  2901.56  1006.53   65.151   16.037   81.838   15.718 -16.68719 22.45583 
1 1 1   39    9   19 f   37.394   13.318  511.668  509.458  948.929  599.644 -622.9440  965.933   47.259   14.359   33.721   15.481 13.53826 21.11494 
1 1 1   39    9   20 o   30.193   12.439  136.985  492.380  177.702  559.193  -3.5153  1038.75   32.430   13.296   40.119   17.357 -7.688660 21.86431 
1 1 1   39    9   21 o   31.325   12.460  241.155  474.683  808.599  543.997 -1569.6610  971.789   43.502   13.754   27.766   13.509 15.73606 19.27867 
1 1 1   39    9   22 o   35.912   14.534  317.209  657.811  469.904  769.373 -97.7762  1268.35   39.881   15.863   41.872   18.609 -1.990845 24.45269 
1 1 1   39   11    0 o  413.658   30.859 70870.83 10290.33   0.0000   0.0000 70870.83 10290.33  ?   ?   413.658   30.859 0.000000 30.85935 
1 1 1   39   11    1 o  306.760   24.248 38796.14  5990.35   0.0000   0.0000 38796.14  5990.35  ?   ?   306.760   24.248 0.000000 24.24768 
1 1 1   39   11    2 o  439.568   22.451 79306.83  7986.36 88808.19 11405.05 70165.38 11186.95  463.155   30.498  410.488   33.866 52.66776 45.57460 
1 1 1   39   11    3 o  518.061   25.853 110238.50 10875.18 118596.40 15502.43 102139.80 15260.08  533.318   36.010  493.878   38.355 39.43948 52.61013 
1 1 1   39   11    4 o  356.574   14.491 51815.30  4195.43 60954.27  7531.50 47703.51  5051.82  384.698   24.235  341.269   18.298 43.42899 30.36710 
1 1 1   39   11    5 o  634.514   32.767 167180.09 16824.14 154414.70 24066.93 179380.20 23528.06  601.063   49.761  651.136   44.774 -50.07324 66.93883 
1 1 1   39   11    6 o  484.081   19.904 95887.00  7823.61 97710.79 13850.25 95032.37  9481.11  483.335   35.541  480.382   24.387 2.953339 43.10324 
1 1 1   39   11    7 o  262.888   10.724 28126.37  2289.15 29255.17  3245.21 27008.45  3229.53  267.382   15.008  256.799   15.562 10.58304 21.61991 
1 1 1   39   11    8 o  560.606   18.374 128589.80  8363.56 134023.09 11858.83 123212.80 11797.13  570.245   25.612  546.446   26.588 23.79901 36.91762 
1 1 1   39   11    9 o  585.542   24.367 141297.50 11585.26 141429.50 14194.09 141034.20 20051.83  582.822   30.097  574.456   43.308 8.366577 52.73861 
1 1 1   39   11   10 o  296.566   12.309 35859.36  2963.98 36922.88  4218.48 34822.43  4165.42  299.803   17.404  291.062   17.709 8.741699 24.83006 
1 1 1   39   11   11 o  135.056   7.5829  7442.09  828.189  5999.67  1137.66  9068.34  1207.98  120.736   11.754  148.879   10.052 -28.14362 15.46569 
1 1 1   39   11   12 o  217.634   9.6449 19298.04  1704.37 19448.08  2424.84 19151.54  2396.10  217.647   13.793  215.985   13.734 1.661987 19.46441 
1 1 1   39   11   13 o  142.332   8.2111  8280.08  944.914  9281.24  1323.46  7239.07  1349.54  150.354   10.915  132.394   12.710 17.95958 16.75371 
1 1 1   39   11   14 o  118.979   7.9160  5797.34  760.380  6571.92  1042.17  4915.66  1111.89  126.364   10.245  108.685   12.848 17.67920 16.43301 
1 1 1   39   11   15 o  121.545   8.1539  6059.80  800.052  5136.36  1113.15  7046.54  1150.67  111.023   12.570  130.606   10.952 -19.58244 16.67130 
1 1 1   39   11   16 o  268.645   10.737 29664.67  2342.14 30891.47  3407.07 28565.49  3224.99  271.934   15.495  261.580   15.250 10.35400 21.74046 
1 1 1   39   11   17 o   55.830   12.201  1338.30  537.625  1245.07  582.620  1872.87  1395.17   53.719   13.401   66.801   22.101 -13.08180 25.84678 
1 1 1   39   11   18 o   67.262   11.642  1926.24  612.823  1866.35  663.843  2271.55  1594.01   65.884   12.871   72.167   23.611 -6.283958 26.89163 
1 1 1   39   11   19 o  198.293   10.838 16374.11  1738.42 15842.84  2613.14 16795.90  2328.42  191.609   16.972  198.885   14.519 -7.276337 22.33466 
1 1 1   39   11   20 o  103.620   10.082  4507.82  837.490  4752.90  1048.67  4076.26  1391.55  105.530   12.480   94.833   18.736 10.69693 22.51235 
1 1 1   39   11   21 o  142.581   9.7972  8550.24  1127.35  7478.20  1483.90 10013.62  1733.71  130.835   14.196  151.525   14.259 -20.68932 20.12083 
1 1 1   39   11   22 o   62.822   13.070  1775.97  644.962  1534.39  752.237  2446.45  1253.17   57.398   15.691   69.994   20.641 -12.59584 25.92825 
1 1 1   39   13    2 o  181.673   19.735 13654.29  2864.33 13654.29  2864.33   0.0000   0.0000  181.673   19.735  ?   ?  0.000000 19.73499 
1 1 1   39   13    3 o  509.693   22.019 106463.20  9112.80 94778.34 16100.50 111970.80 11053.75  473.305   42.342  521.069   26.210 -47.76395 49.79764 
1 1 1   39   13    4 o  500.544   19.656 102504.90  7988.82 113338.60 14166.78 97453.49  9673.63  521.473   33.637  486.407   24.573 35.06595 41.65715 
1 1 1   39   13    5 o  710.032   29.594 208428.00 17061.83 190663.59 29880.00 217022.50 20783.24  661.910   56.125  721.693   35.467 -59.78345 66.39182 
1 1 1   39   13    6 o  361.760   16.597 53455.48  4875.06 43162.88  8793.05 58023.32  5857.78  320.212   34.356  376.026   19.250 -55.81369 39.38158 
1 1 1   39   13    7 o  252.909   11.583 26050.65  2378.55 29104.96  4486.82 24856.80  2805.15  265.562   20.979  246.463   14.076 19.09915 25.26355 
1 1 1   39   13    8 o  371.914   15.599 56508.14  4710.57 60712.12  8586.91 54698.40  5633.98  381.941   27.881  364.861   19.084 17.07953 33.78686 
1 1 1   39   13    9 o  148.561   8.2030  9004.45  985.669  7658.40  1164.66 12402.11  1850.37  136.724   10.573  173.858   13.206 -37.13390 16.91744 
1 1 1   39   13   10 o  569.361   20.505 133346.41  9479.29 127446.70 13449.05 139170.80 13362.86  551.719   30.136  578.180   28.464 -26.46051 41.45322 
1 1 1   39   13   11 f   91.673   7.3899  3440.80  545.402  3514.30  702.585  3329.35  865.181   92.403   9.4996   89.497   12.226 2.906052 15.48248 
1 1 1   39   13   12 o  270.713   11.566 29938.89  2542.33 30689.43  3624.20 29211.76  3567.26  272.746   16.442  266.035   16.597 6.710297 23.36224 
1 1 1   39   13   13 o  186.162   8.4328 14133.26  1274.69 12844.47  1783.17 15480.05  1822.85  176.566   12.519  194.102   11.619 -17.53546 17.08033 
1 1 1   39   13   14 o   99.644   8.0390  4078.30  644.882  3899.80  836.984  4339.07  1011.64   96.961   10.816  102.002   12.475 -5.041389 16.51033 
1 1 1   39   13   15 f  237.651   10.765 23195.52  2077.29 24578.78  3010.76 21938.77  2869.77  242.749   15.354  229.227   15.510 13.52133 21.82434 
1 1 1   39   13   16 o  176.084   9.3535 12755.09  1332.52 13414.43  1896.94 12112.79  1872.24  179.478   13.107  170.318   13.653 9.159058 18.92643 
1 1 1   39   13   17 o  256.245   10.748 27101.89  2236.26 25957.35  3203.37 28189.89  3123.25  247.860   16.003  258.994   14.915 -11.13394 21.87541 
1 1 1   39   13   18 o  165.076   9.2225 11261.50  1231.21 11161.60  1728.25 11364.45  1754.43  162.859   13.182  164.306   13.264 -1.446945 18.70027 
1 1 1   39   13   19 o   74.638   11.174  2369.77  656.353  2760.85  703.091 -281.8524  1830.76   80.720   11.015   50.173   22.326 30.54625 24.89501 
1 1 1   39   13   20 o   88.153   11.399  3317.67  796.767  3182.89  858.408  4156.29  2141.25   85.820   12.702   90.554   27.049 -4.734360 29.88284 
1 1 1   39   13   21 o  147.043   10.142  9153.94  1203.45  9077.55  1597.06  9254.31  1830.63  143.940   13.835  143.650   15.965 0.2895203 21.12554 
1 1 1   39   15    0 o   47.853   11.420  969.792  437.558   0.0000   0.0000  969.792  437.558  ?   ?    47.853   11.420 0.000000 11.42006 
1 1 1   39   15    1 o  253.284   10.371 26104.67  2132.83   0.0000   0.0000 26104.67  2132.83  ?   ?   253.284   10.371 0.000000 10.37074 
1 1 1   39   15    2 o  231.702   7.1683 21819.56  1348.59 24726.38  2530.60 20666.58  1593.77  246.037   12.711  225.438   8.7068 20.59944 15.40683 
1 1 1   39   15    3 o  365.031   12.326 54276.64  3653.22 66115.30  7595.32 50713.53  4166.87  400.478   23.460  352.616   14.554 47.86258 27.60757 
1 1 1   39   15    4 o  514.747   21.411 108688.70  8948.79 107052.60 15895.12 109448.00 10827.81  503.454   39.192  514.665   25.995 -11.21152 47.02947 
1 1 1   39   15    5 o  508.860   20.635 106186.80  8525.78 108652.40 15166.00 105047.50 10308.97  507.912   37.029  504.899   25.146 3.012634 44.76055 
1 1 1   39   15    6 o  368.187   15.379 55363.03  4597.63 61573.64  8375.35 52684.26  5500.50  385.048   26.959  358.126   18.984 26.92154 32.97196 
1 1 1   39   15    7 o  256.451   11.966 26803.28  2491.58 30477.04  4774.90 25428.70  2920.75  271.404   21.853  249.149   14.500 22.25447 26.22602 
1 1 1   39   15    8 o  294.220   13.353 35326.94  3189.99 38445.18  6003.87 34100.39  3765.47  304.136   24.521  288.280   16.152 15.85602 29.36215 
1 1 1   39   15    9 o  433.973   17.947 77249.30  6323.88 84570.59 11502.40 74077.63  7570.75  448.178   31.815  423.306   22.103 24.87228 38.73936 
1 1 1   39   15   10 o  244.887   12.814 24560.15  2539.10 17550.89  5006.95 26986.70  2946.00  202.103   31.542  256.484   14.201 -54.38087 34.59116 
1 1 1   39   15   11 o  136.866   10.636  7689.62  1172.75  5585.32  2694.09  8181.59  1302.65  113.018   29.163  141.079   11.471 -28.06026 31.33780 
1 1 1   39   15   12 o   62.783   14.412  1684.01  719.147 -1404.4480  1883.52  2211.07  778.096   46.444   21.430   72.219   13.772 -25.77426 25.47359 
1 1 1   39   15   13 o  128.989   7.6281  6809.05  795.380  6217.47  1084.48  7497.68  1170.06  122.693   11.003  134.866   10.775 -12.17303 15.39994 
1 1 1   39   15   14 o  163.906   8.7547 11017.51  1160.91 11687.25  1621.38 10312.98  1662.95  168.114   11.956  157.570   13.117 10.54413 17.74817 
1 1 1   39   15   15 o   53.269   9.6585  1199.31  402.374  870.942  467.956  2130.73  788.132   45.204   12.384   70.427   14.271 -25.22281 18.89505 
1 1 1   39   15   16 o  156.384   8.8847 10066.54  1123.51 10263.07  1554.17  9851.42  1626.03  156.940   12.295  153.449   13.178 3.491302 18.02295 
1 1 1   39   15   17 o  132.911   8.8955  7295.51  954.452  7662.20  1251.42  6785.57  1475.75  135.477   11.484  126.333   14.659 9.143646 18.62198 
1 1 1   39   15   18 o   77.126   9.2282  2488.91  566.425  2836.75  659.558  1511.51  1105.60   82.183   10.096   59.484   19.674 22.69874 22.11345 
1 1 1   39   15   19 o   94.851   9.0461  3758.93  688.253  3862.31  815.900  3503.86  1281.54   95.635   10.690   87.821   18.553 7.814705 21.41262 
1 1 1   39   15   20 o   83.606   10.332  2976.04  686.450  2689.27  724.888  5466.96  2136.41   78.919   11.664  103.780   25.529 -24.86110 28.06727 
1 1 1   39   15   21 o   79.358   10.788  2726.74  677.139  2690.04  707.475  3127.32  2337.49   78.524   11.432   75.119   28.238 3.405449 30.46373 
1 1 1   39   17    0 o  126.752   11.902  6602.37  1210.56   0.0000   0.0000  6602.37  1210.56  ?   ?   126.752   11.902 0.000000 11.90168 
1 1 1   39   17    1 o  364.914   19.934 54745.60  5884.04   0.0000   0.0000 54745.60  5884.04  ?   ?   364.914   19.934 0.000000 19.93395 
1 1 1   39   17    2 o  221.706   11.696 20078.37  2097.99   0.0000   0.0000 20078.37  2097.99  ?   ?   221.706   11.696 0.000000 11.69567 
1 1 1   39   17    3 o  229.007   9.8796 21344.07  1837.08 21634.90  4088.11 21270.48  2056.41  228.361   22.333  228.539   11.082 -0.1779022 24.93172 
1 1 1   39   17    4 o  442.318   17.553 80069.27  6304.18 79706.38 12922.33 80182.60  7221.89  433.963   37.028  442.076   20.119 -8.113037 42.14064 
1 1 1   39   17    5 o  453.964   16.646 84301.55  6135.88 97816.11 11124.70 78392.70  7355.95  484.753   28.388  436.858   20.738 47.89578 35.15545 
1 1 1   39   17    6 o  150.870   10.001  9308.01  1218.24  8811.70  2645.67  9441.56  1372.39  144.439   23.356  151.813   11.213 -7.374283 25.90795 
1 1 1   39   17    7 f  331.205   13.151 44774.06  3536.60 62614.32  6687.87 37848.63  4166.88  389.451   21.229  303.515   16.976 85.93607 27.18225 
1 1 1   39   17    8 o   72.288   16.531  2225.65  949.167 -374.0968  1821.37  3194.90  1112.11   51.916   22.714   86.930   16.356 -35.01432 27.99030 
1 1 1   39   17    9 o  349.859   16.362 50208.64  4647.89 43038.19  8712.55 53061.06  5495.13  316.793   34.425  358.556   18.942 -41.76297 39.29266 
1 1 1   39   17   10 o  627.996   26.270 165333.50 13395.33 163587.41 23919.19 166131.41 16168.64  599.553   49.579  624.052   32.017 -24.49994 59.01802 
1 1 1   39   17   11 f  201.102   12.119 16624.73  1969.69 10011.39  4230.87 18454.73  2225.59  148.677   35.531  211.726   13.009 -63.04874 37.83765 
1 1 1   39   17   12 o   41.850   15.496  569.398  698.787  2148.65  2211.00  394.145  736.541   76.168   27.667   39.832   15.622 36.33593 31.77302 
1 1 1   39   17   13 o  337.424   15.531 47278.34  4255.04 50491.69  8309.53 46136.30  4953.79  336.918   30.712  331.324   18.488 5.594238 35.84734 
1 1 1   39   17   14 o  130.358   12.195  7071.57  1275.80  5908.87  3787.25  7220.40  1354.99  112.114   36.381  131.560   12.849 -19.44604 38.58301 
1 1 1   39   17   15 o   51.933   17.798  1062.47  904.287  874.195  3663.82  1074.68  933.157   76.989   32.942   52.393   18.073 24.59629 37.57418 
1 1 1   39   17   16 o   96.117   15.270  3971.21  1151.88 11072.34  4352.43  3436.38  1194.47  148.037   36.452   88.633   17.218 59.40461 40.31369 
1 1 1   39   17   17 o   29.826   13.911 -720.7889  826.870  6609.10  4319.12 -999.6560  842.453  111.336   38.855   28.296   13.453 83.04046 41.11797 
1 1 1   39   17   18 o  150.085   9.2827  9360.76  1125.67  9660.01  1465.84  8930.63  1757.41  151.308   12.031  143.799   15.286 7.508881 19.45226 
1 1 1   39   17   19 o   93.596   19.650  4072.19  1445.76   0.0000   0.0000  4072.19  1445.76  ?   ?    93.596   19.650 0.000000 19.64984 
1 1 1   39   17   20 o   23.874   10.395 -41.3786  377.361 -197.6501  395.203  1573.08  1270.26   22.311   10.112   58.825   21.022 -36.51343 23.32722 
1 1 1   39   19    0 o  115.135   12.446  5468.15  1145.05   0.0000   0.0000  5468.15  1145.05  ?   ?   115.135   12.446 0.000000 12.44639 
1 1 1   39   19    1 o  659.981   33.755 183066.20 18028.30   0.0000   0.0000 183066.20 18028.30  ?   ?   659.981   33.755 0.000000 33.75518 
1 1 1   39   19    2 o  406.016   22.319 68091.23  7329.62   0.0000   0.0000 68091.23  7329.62  ?   ?   406.016   22.319 0.000000 22.31880 
1 1 1   39   19    3 o  260.340   9.6202 27592.03  2033.59 32402.87  4626.33 26439.85  2264.05  280.050   20.487  254.744   10.946 25.30602 23.22809 
1 1 1   39   19    4 o  223.719   11.049 20395.74  2007.13 17599.01  4540.33 21075.04  2237.65  203.956   28.168  227.000   12.185 -23.04463 30.69084 
1 1 1   39   19    5 o  333.757   14.188 45516.33  3844.93 51729.92  7315.53 43144.79  4519.50  352.347   25.749  324.006   17.241 28.34109 30.98793 
1 1 1   39   19    6 o   95.752   9.7417  3772.56  746.843  6341.16  2060.29  3383.98  801.346  122.293   21.535   90.431   11.150 31.86195 24.25022 
1 1 1   39   19    7 o  310.956   12.934 39501.45  3265.53 51485.18  6339.65 35173.60  3809.83  352.194   22.284  292.498   16.104 59.69589 27.49347 
1 1 1   39   19    8 o  341.706   15.068 47864.65  4180.77 54704.01  7994.82 45290.40  4904.86  360.323   27.535  331.148   18.313 29.17505 33.06836 
1 1 1   39   19    9 o  136.980   10.623  7707.57  1172.26 11595.61  2891.15  6942.61  1282.41  165.581   22.052  129.687   12.327 35.89374 25.26376 
1 1 1   39   19   10 o  297.555   14.204 36421.15  3431.83 40021.03  6907.37 35241.30  3954.43  305.014   28.210  291.490   16.779 13.52411 32.82265 
1 1 1   39   19   11 o  227.933   12.865 21440.55  2371.17 20440.16  5415.81 21677.79  2637.38  213.804   32.195  228.771   14.269 -14.96663 35.21573 
1 1 1   39   19   12 o   88.682   13.054  3311.04  911.864  3944.54  3364.90  3260.83  947.310   96.722   34.252   87.833   13.733 8.888611 36.90197 
1 1 1   39   19   13 o  116.972   12.073  5702.81  1130.19  6195.24  3838.91  5656.08  1182.60  114.341   36.579  116.321   12.729 -1.980499 38.73040 
1 1 1   39   19   14 o  269.216   14.436 30309.42  3144.19 27610.99  6804.81 31041.90  3545.34  239.774   36.069  271.465   16.157 -31.69144 39.52295 
1 1 1   39   19   15 o  246.452   14.033 25479.41  2796.61 27699.05  6666.91 25005.45  3080.76  237.919   35.605  243.172   15.687 -5.252914 38.90781 
1 1 1   39   19   16 o  217.805   13.443 19963.07  2365.78 24201.65  6014.76 19187.32  2573.18  219.969   34.836  212.602   15.002 7.366623 37.92955 
1 1 1   39   19   17 o   82.855   17.940  3083.21  1171.98 -6838.5239  5414.02  3571.00  1200.45   63.324   31.038   89.671   17.112 -26.34695 35.44273 
1 1 1   39   19   18 o   55.441   18.706  1328.38  998.822 -6924.6792  5866.21  1574.79  1013.62   64.071   31.582   59.268   18.779 4.802681 36.74276 
1 1 1   39   19   19 o  112.026   18.373  5804.90  1613.33   0.0000   0.0000  5804.90  1613.33  ?   ?   112.026   18.373 0.000000 18.37348 
1 1 1   39   19   20 o   33.839   16.207 -1348.1370  1271.12   0.0000   0.0000 -1348.1370  1271.12  ?   ?    33.839   16.207 0.000000 16.20712 
1 1 1   39   21    0 f  440.301   23.931 80481.16  8523.55   0.0000   0.0000 80481.16  8523.55  ?   ?   440.301   23.931 0.000000 23.93131 
1 1 1   39   21    1 o  289.791   17.885 34595.45  4187.80   0.0000   0.0000 34595.45  4187.80  ?   ?   289.791   17.885 0.000000 17.88506 
1 1 1   39   21    2 o  286.113   18.061 33738.95  4174.31   0.0000   0.0000 33738.95  4174.31  ?   ?   286.113   18.061 0.000000 18.06103 
1 1 1   39   21    3 o  204.235   7.7957 16970.84  1292.78 26956.24  3395.28 15277.72  1398.10  255.943   16.425  193.717   8.8886 62.22644 18.67543 
1 1 1   39   21    4 o  190.068   8.7572 14708.02  1351.48 22923.38  3433.18 13201.49  1470.18  235.532   18.090  179.704   10.117 55.82799 20.72679 
1 1 1   39   21    5 o  335.009   14.746 45956.15  4011.27 43485.84  8614.62 46640.03  4532.63  318.609   33.817  337.118   16.559 -18.50922 37.65319 
1 1 1   39   21    6 o   92.465   18.702  3646.71  1355.91  1167.05  2348.10  4887.18  1660.78   69.895   27.740  107.176   19.814 -37.28076 34.08953 
1 1 1   39   21    7 o  532.912   20.774 117808.60  8989.14 131731.70 16452.13 111883.10 10732.83  549.894   37.063  516.496   25.592 33.39758 45.04066 
1 1 1   39   21    8 o  398.949   17.216 65783.19  5576.83 74534.13 10754.57 62564.59  6522.27  414.564   32.202  386.963   20.835 27.60095 38.35456 
1 1 1   39   21    9 o   94.592   12.152  3730.47  911.779  3703.08  3320.10  3732.70  948.237   95.872   34.015   94.515   12.675 1.356781 36.29995 
1 1 1   39   21   10 o  178.190   11.839 13105.05  1703.10 16975.06  4542.75 12472.14  1837.10  195.421   29.552  173.484   13.139 21.93643 32.34130 
1 1 1   39   21   11 o  117.402   12.215  5739.15  1147.34  9641.36  3919.30  5373.40  1199.91  143.323   34.162  113.297   13.296 30.02654 36.65836 
1 1 1   39   21   12 o  150.672   11.978  9427.47  1453.29 14024.54  4593.05  8916.04  1531.99  172.477   34.006  146.199   13.042 26.27776 36.42094 
1 1 1   39   21   13 o  144.649   12.702  8741.15  1476.77 11072.17  4761.17  8493.02  1553.38  147.833   39.074  142.268   13.613 5.564926 41.37714 
1 1 1   39   21   14 o  254.949   13.912 27257.72  2869.10 40104.73  7164.07 24803.61  3131.17  292.757   30.590  241.906   16.032 50.85132 34.53638 
1 1 1   39   21   15 o  116.255   14.885  5789.69  1372.80  9770.59  4472.19  5375.55  1442.44  134.632   38.792  111.326   16.453 23.30542 42.13720 
1 1 1   39   21   16 o  106.361   15.255  4908.05  1279.76  7858.45  5484.38  4738.15  1316.09  114.441   43.203  104.110   16.087 10.33067 46.10096 
1 1 1   39   21   17 o   38.079   16.803 -153.5070  1016.12 -2980.6250  5424.63 -50.7043  1034.43   69.596   33.372   39.329   17.165 30.26698 37.52763 
1 1 1   39   21   18 o   29.345   13.976 -1028.8560  917.132   0.0000   0.0000 -1028.8560  917.132  ?   ?    29.345   13.976 0.000000 13.97555 
1 1 1   39   21   19 f   34.008   16.012 -915.3520  1140.31   0.0000   0.0000 -915.3520  1140.31  ?   ?    34.008   16.012 0.000000 16.01229 
1 1 1   39   23    0 o  196.872   15.850 16003.96  2512.15   0.0000   0.0000 16003.96  2512.15  ?   ?   196.872   15.850 0.000000 15.84955 
1 1 1   39   23    1 o  216.322   16.181 19315.97  2821.56   0.0000   0.0000 19315.97  2821.56  ?   ?   216.322   16.181 0.000000 16.18110 
1 1 1   39   23    2 o  344.584   20.769 49292.00  5783.73   0.0000   0.0000 49292.00  5783.73  ?   ?   344.584   20.769 0.000000 20.76870 
1 1 1   39   23    3 o  233.830   17.287 22622.66  3258.86   0.0000   0.0000 22622.66  3258.86  ?   ?   233.830   17.287 0.000000 17.28691 
1 1 1   39   23    4 o  195.385   10.544 15629.32  1666.53 15738.61  4289.25 15609.89  1808.63  191.219   28.496  195.114   11.467 -3.894913 30.71647 
1 1 1   39   23    5 o   45.512   17.951  490.474  977.689  3720.08  2879.68   69.697  1039.43   94.998   31.764   41.932   17.729 53.06644 36.37693 
1 1 1   39   23    6 o  386.008   15.038 61372.02  4713.38 70121.89 10307.26 59058.55  5299.98  401.677   31.865  377.797   17.277 23.87909 36.24721 
1 1 1   39   23    7 o  160.737   11.621 10648.40  1506.43 13008.15  4113.65 10282.94  1618.89  170.950   30.767  157.697   12.752 13.25240 33.30554 
1 1 1   39   23    8 o  285.576   14.266 33692.40  3308.02 40284.42  7308.46 31993.91  3709.79  302.169   30.192  276.993   16.571 25.17563 34.44041 
1 1 1   39   23    9 o  164.387   11.763 11175.00  1559.72 13553.63  4700.66 10880.71  1653.40  170.296   35.160  161.960   12.674 8.336609 37.37443 
1 1 1   39   23   10 o  139.971   12.098  8140.24  1361.44  5066.08  4490.69  8451.39  1428.68  107.239   39.357  142.540   12.470 -35.30028 41.28531 
1 1 1   39   23   11 o   58.781   16.857  1489.34  846.297  3371.00  3287.92  1355.83  875.807   90.529   33.596   56.574   17.385 33.95493 37.82709 
1 1 1   39   23   12 o  130.819   13.115  7183.22  1374.27  9103.87  4998.78  7026.19  1429.35  131.718   41.699  129.126   13.849 2.592422 43.93842 
1 1 1   39   23   13 f  160.555   13.459 10842.27  1738.42 15944.19  5860.48 10350.03  1820.36  172.059   42.256  156.413   14.498 15.64635 44.67424 
1 1 1   39   23   14 o  182.198   13.443 14005.07  1974.65 17173.76  6548.49 13688.12  2071.06  170.404   46.178  179.664   14.316 -9.260208 48.34573 
1 1 1   39   23   15 o   79.772   18.162  2869.67  1149.98 11642.78  5807.48  2511.62  1173.22  135.312   45.107   74.254   19.286 61.05841 49.05701 
1 1 1   39   23   16 f   42.931   18.049  268.474  1067.44   0.0000   0.0000  268.474  1067.44  ?   ?    42.931   18.049 0.000000 18.04860 
1 1 1   39   23   17 o  104.675   18.150  5042.39  1486.69   0.0000   0.0000  5042.39  1486.69  ?   ?   104.675   18.150 0.000000 18.14977 
1 1 1   39   23   18 o   63.808   21.492  2002.85  1318.44   0.0000   0.0000  2002.85  1318.44  ?   ?    63.808   21.492 0.000000 21.49225 
1 1 1   39   25    0 o  119.413   16.399  5989.29  1548.03   0.0000   0.0000  5989.29  1548.03  ?   ?   119.413   16.399 0.000000 16.39861 
1 1 1   39   25    1 o   47.870   18.347  655.932  998.537   0.0000   0.0000  655.932  998.537  ?   ?    47.870   18.347 0.000000 18.34722 
1 1 1   39   25    2 o  303.033   19.951 38412.08  4881.45   0.0000   0.0000 38412.08  4881.45  ?   ?   303.033   19.951 0.000000 19.95063 
1 1 1   39   25    3 o   54.900   19.335  1115.25  1070.81   0.0000   0.0000  1115.25  1070.81  ?   ?    54.900   19.335 0.000000 19.33473 
1 1 1   39   25    4 o  156.867   9.0907 10086.56  1152.93 18107.59  3921.86  9327.80  1206.23  205.511   23.952  150.691   9.9137 54.81998 25.92263 
1 1 1   39   25    5 o  145.795   9.2720  8726.62  1091.92  8168.23  4144.18  8768.28  1131.92  132.100   37.105  146.087   9.5959 -13.98627 38.32621 
1 1 1   39   25    6 o  132.061   11.007  7208.21  1169.49  5895.46  3919.07  7336.53  1225.31  113.429   37.018  133.143   11.445 -19.71387 38.74733 
1 1 1   39   25    7 o   99.838   10.685  4139.08  852.749  6078.38  3923.69  4042.94  873.631  114.161   37.029   98.569   11.109 15.59227 38.65974 
1 1 1   39   25    8 o   87.603   12.267  3226.61  848.659  6120.14  4351.84  3112.22  865.271  114.010   39.044   85.879   12.800 28.13046 41.08838 
1 1 1   39   25    9 o   96.611   12.431  3921.69  952.550  8164.79  4575.49  3729.45  973.889  127.722   39.817   93.997   13.118 33.72527 41.92221 
1 1 1   39   25   10 o   89.030   13.279  3362.79  930.543  9465.05  4739.34  3118.11  949.016  135.536   40.186   85.414   14.181 50.12186 42.61481 
1 1 1   39   25   11 o  103.809   13.538  4567.42  1113.93  7814.69  4411.33  4346.26  1151.23  122.706   39.207  100.928   14.461 21.77783 41.78882 
1 1 1   39   25   12 o  153.760   13.524  9973.94  1671.32 13488.19  6158.58  9694.54  1736.48  151.826   45.991  151.239   14.311 0.5870667 48.16610 
1 1 1   39   25   13 o  123.850   14.590  6570.46  1439.06 14637.46  6288.42  6124.65  1478.29  154.311   46.413  119.050   15.674 35.26038 48.98803 
1 1 1   39   25   14 o   47.070   18.941  572.600  1110.20  1452.99  5188.26  530.354  1136.53   83.058   37.224   46.966   19.071 36.09142 41.82511 
1 1 1   39   25   15 o   60.977   19.997  1670.92  1143.09   0.0000   0.0000  1670.92  1143.09  ?   ?    60.977   19.997 0.000000 19.99697 
1 1 1   39   25   16 o   77.615   21.475  2942.44  1399.08   0.0000   0.0000  2942.44  1399.08  ?   ?    77.615   21.475 0.000000 21.47450 
1 1 1   39   25   17 o   68.664   20.821  2354.63  1261.78   0.0000   0.0000  2354.63  1261.78  ?   ?    68.664   20.821 0.000000 20.82125 
1 1 1   39   27    0 o   76.465   20.274  2555.10  1279.24   0.0000   0.0000  2555.10  1279.24  ?   ?    76.465   20.274 0.000000 20.27420 
1 1 1   39   27    1 o   72.539   21.363  2275.91  1343.15   0.0000   0.0000  2275.91  1343.15  ?   ?    72.539   21.363 0.000000 21.36315 
1 1 1   39   27    2 o   83.405   21.642  3064.36  1478.30   0.0000   0.0000  3064.36  1478.30  ?   ?    83.405   21.642 0.000000 21.64218 
1 1 1   39   27    3 o  289.124   21.129 35673.99  4925.77   0.0000   0.0000 35673.99  4925.77  ?   ?   289.124   21.129 0.000000 21.12858 
1 1 1   39   27    4 o  269.109   20.292 30870.17  4401.22   0.0000   0.0000 30870.17  4401.22  ?   ?   269.109   20.292 0.000000 20.29150 
1 1 1   39   27    5 f  368.879   15.483 56767.72  4637.29 74796.12 11111.11 52965.06  5102.97  401.852   34.384  354.842   17.711 47.00989 38.67742 
1 1 1   39   27    6 o  305.804   13.448 38808.88  3339.11 53875.39  8630.90 36156.86  3621.08  343.296   31.308  293.916   15.225 49.38058 34.81362 
1 1 1   39   27    7 o   55.696   11.557  1327.23  505.518 -6351.4028  4301.73  1434.76  509.045   58.090   28.297   58.025   11.210 0.6483841E-01 30.43691 
1 1 1   39   27    8 o  112.542   11.587  5292.77  1043.73 14526.35  4997.49  4871.64  1067.26  170.923   37.076  107.691   12.434 63.23269 39.10523 
1 1 1   39   27    9 o  111.635   12.439  5240.74  1108.31 -687.2585  4947.48  5553.94  1137.21   78.583   35.678  114.978   12.376 -36.39445 37.76369 
1 1 1   39   27   10 o   90.750   14.964  3552.87  1064.21 -2795.7949  5875.97  3768.18  1082.10   77.395   36.413   93.599   14.725 -16.20415 39.27714 
1 1 1   39   27   11 o  102.011   14.665  4478.01  1179.76  8002.82  5371.42  4299.35  1209.29  118.155   43.092   99.620   15.450 18.53445 45.77837 
1 1 1   39   27   12 o   61.035   18.300  1655.29  978.772  9615.99  6492.95  1470.19  990.085  121.393   46.723   58.112   18.575 63.28153 50.27948 
1 1 1   39   27   13 o  199.982   14.201 17149.44  2291.03 26610.34  8742.01 16451.73  2374.01  187.272   54.317  195.184   15.097 -7.912201 56.37566 
1 1 1   39   27   14 o   48.817   19.224  770.940  1119.61   0.0000   0.0000  770.940  1119.61  ?   ?    48.817   19.224 0.000000 19.22419 
1 1 1   39   27   15 o   66.685   21.450  2154.33  1318.74   0.0000   0.0000  2154.33  1318.74  ?   ?    66.685   21.450 0.000000 21.45027 
1 1 1   39   27   16 o   72.128   21.981  2679.31  1403.70   0.0000   0.0000  2679.31  1403.70  ?   ?    72.128   21.981 0.000000 21.98099 
1 1 1   39   29    0 o  243.514   20.111 25512.36  3940.86   0.0000   0.0000 25512.36  3940.86  ?   ?   243.514   20.111 0.000000 20.11091 
1 1 1   39   29    1 o  195.037   19.761 16382.79  3086.30   0.0000   0.0000 16382.79  3086.30  ?   ?   195.037   19.761 0.000000 19.76146 
1 1 1   39   29    2 o  151.017   19.600  9871.37  2346.70   0.0000   0.0000  9871.37  2346.70  ?   ?   151.017   19.600 0.000000 19.60010 
1 1 1   39   29    3 o   67.570   22.714  1911.35  1472.60   0.0000   0.0000  1911.35  1472.60  ?   ?    67.570   22.714 0.000000 22.71427 
1 1 1   39   29    4 o  119.681   23.826  6460.94  2233.96   0.0000   0.0000  6460.94  2233.96  ?   ?   119.681   23.826 0.000000 23.82604 
1 1 1   39   29    5 o  110.055   10.314  5036.96  910.908  8685.31  5567.29  4936.61  923.352  126.994   44.125  108.877   10.578 18.11727 45.37535 
1 1 1   39   29    6 o  130.316   11.547  7090.89  1209.19  4367.50  5925.49  7209.23  1235.18  103.446   42.932  131.358   11.703 -27.91249 44.49862 
1 1 1   39   29    7 f   70.539   11.746  2118.22  649.074 12960.48  5499.74  1965.07  653.642  153.352   42.630   67.728   12.341 85.62337 44.37981 
1 1 1   39   29    8 o  218.246   14.540 20159.76  2561.80 14755.69  8305.88 20727.90  2693.10  146.789   53.578  220.960   15.101 -74.17128 55.66535 
1 1 1   39   29    9 o  221.443   13.826 20738.04  2473.62 21866.84  8424.10 20631.52  2587.69  179.161   53.681  220.407   14.541 -41.24532 55.61584 
1 1 1   39   29   10 o  138.960   12.841  8186.77  1432.42 18174.43  6815.31  7725.18  1465.15  168.566   47.667  134.614   13.591 33.95230 49.56663 
1 1 1   39   29   11 o   64.481   17.454  1879.08  936.198  1414.23  7734.49  1885.99  943.133   90.390   42.285   64.584   17.534 25.80609 45.77674 
1 1 1   39   29   12 o   36.311   15.752 -13.9557  860.311   0.0000   0.0000 -13.9557  860.311  ?   ?    36.311   15.752 0.000000 15.75232 
1 1 1   39   29   13 o   51.758   19.400  1056.28  1101.73   0.0000   0.0000  1056.28  1101.73  ?   ?    51.758   19.400 0.000000 19.39981 
1 1 1   39   29   14 o   91.741   20.172  4097.10  1461.70   0.0000   0.0000  4097.10  1461.70  ?   ?    91.741   20.172 0.000000 20.17185 
1 1 1   39   29   15 f   57.520   22.889  1471.45  1602.53   0.0000   0.0000  1471.45  1602.53  ?   ?    57.520   22.889 0.000000 22.88858 
1 1 1   39   31    0 o   67.383   28.895  649.528  2829.89   0.0000   0.0000  649.528  2829.89  ?   ?    67.383   28.895 0.000000 28.89473 
1 1 1   39   31    1 o  221.748   35.674 24608.63  6205.40   0.0000   0.0000 24608.63  6205.40  ?   ?   221.748   35.674 0.000000 35.67418 
1 1 1   39   31    2 o  407.000   47.167 93508.46 15298.26   0.0000   0.0000 93508.46 15298.26  ?   ?   407.000   47.167 0.000000 47.16655 
1 1 1   39   31    3 o  340.842   39.941 60808.43 10844.08   0.0000   0.0000 60808.43 10844.08  ?   ?   340.842   39.941 0.000000 39.94057 
1 1 1   39   31    4 o  204.726   23.863 18975.31  3892.39   0.0000   0.0000 18975.31  3892.39  ?   ?   204.726   23.863 0.000000 23.86338 
1 1 1   39   31    5 o  206.414   13.264 17951.90  2211.30   0.0000   0.0000 17951.90  2211.30  ?   ?   206.414   13.264 0.000000 13.26403 
1 1 1   39   31    6 o  215.582   12.786 19560.37  2228.20 22514.51  8901.04 19362.87  2301.47  176.922   55.598  214.179   13.300 -37.25681 57.16644 
1 1 1   39   31    7 o   91.866   11.161  3566.68  815.436 11500.19  7087.59  3460.26  820.887  129.183   49.030   90.379   11.442 38.80421 50.34775 
1 1 1   39   31    8 o  125.500   12.004  6667.08  1208.33  5618.97  8042.87  6691.28  1222.20  103.251   46.305  125.678   12.127 -22.42776 47.86713 
1 1 1   39   31    9 o  109.773   13.254  5180.54  1157.43  9176.72  6913.73  5065.31  1174.00  113.057   46.599  108.353   13.647 4.704155 48.55619 
1 1 1   39   31   10 o   29.339   13.290 -317.0993  681.799   0.0000   0.0000 -317.0993  681.799  ?   ?    29.339   13.290 0.000000 13.29024 
1 1 1   39   31   11 o  120.625   15.194  6445.84  1455.13   0.0000   0.0000  6445.84  1455.13  ?   ?   120.625   15.194 0.000000 15.19390 
1 1 1   39   31   12 o  118.766   15.767  6368.81  1482.92   0.0000   0.0000  6368.81  1482.92  ?   ?   118.766   15.767 0.000000 15.76736 
1 1 1   39   31   13 o   30.100   14.318 -970.0495  956.738   0.0000   0.0000 -970.0495  956.738  ?   ?    30.100   14.318 0.000000 14.31796 
1 1 1   39   33    0 o  146.191   25.842 10177.05  2955.25   0.0000   0.0000 10177.05  2955.25  ?   ?   146.191   25.842 0.000000 25.84161 
1 1 1   39   33    1 o   94.120   30.544  4478.44  2669.56   0.0000   0.0000  4478.44  2669.56  ?   ?    94.120   30.544 0.000000 30.54440 
1 1 1   39   33    2 o   78.072   28.746  2759.10  2398.41   0.0000   0.0000  2759.10  2398.41  ?   ?    78.072   28.746 0.000000 28.74603 
1 1 1   39   33    3 f   78.210   29.489  2736.14  2553.19   0.0000   0.0000  2736.14  2553.19  ?   ?    78.210   29.489 0.000000 29.48910 
1 1 1   39   33    4 f   64.651   26.804  1192.44  2306.19   0.0000   0.0000  1192.44  2306.19  ?   ?    64.651   26.804 0.000000 26.80356 
1 1 1   39   33    5 o   51.226   11.614  1143.44  471.921   0.0000   0.0000  1143.44  471.921  ?   ?    51.226   11.614 0.000000 11.61365 
1 1 1   39   33    6 f  216.275   12.747 19894.59  2228.65   0.0000   0.0000 19894.59  2228.65  ?   ?   216.275   12.747 0.000000 12.74739 
1 1 1   39   33    7 o   68.477   11.622  2027.72  623.098   0.0000   0.0000  2027.72  623.098  ?   ?    68.477   11.622 0.000000 11.62218 
1 1 1   39   33    8 o  128.614   12.539  7115.48  1292.81   0.0000   0.0000  7115.48  1292.81  ?   ?   128.614   12.539 0.000000 12.53917 
1 1 1   39   33    9 o  145.832   14.209  9338.15  1661.17   0.0000   0.0000  9338.15  1661.17  ?   ?   145.832   14.209 0.000000 14.20937 
1 1 1   39   33   10 f   61.269   17.378  1771.73  904.389   0.0000   0.0000  1771.73  904.389  ?   ?    61.269   17.378 0.000000 17.37759 
1 1 1   39   33   11 o   25.780   12.316 -842.3409  724.131   0.0000   0.0000 -842.3409  724.131  ?   ?    25.780   12.316 0.000000 12.31640 
1 1 1   39   33   12 o   54.362   20.764  1373.42  1276.15   0.0000   0.0000  1373.42  1276.15  ?   ?    54.362   20.764 0.000000 20.76375 
1 1 1   39   35    0 o   57.605   24.979  546.586  2161.33   0.0000   0.0000  546.586  2161.33  ?   ?    57.605   24.979 0.000000 24.97908 
1 1 1   39   35    1 o  120.211   33.626  8284.82  3410.84   0.0000   0.0000  8284.82  3410.84  ?   ?   120.211   33.626 0.000000 33.62639 
1 1 1   39   35    2 o  151.971   32.272 12661.30  3859.16   0.0000   0.0000 12661.30  3859.16  ?   ?   151.971   32.272 0.000000 32.27163 
1 1 1   39   35    3 o   62.349   27.351  715.529  2656.47   0.0000   0.0000  715.529  2656.47  ?   ?    62.349   27.351 0.000000 27.35141 
1 1 1   39   35    4 o   95.535   33.392  5410.52  3190.51   0.0000   0.0000  5410.52  3190.51  ?   ?    95.535   33.392 0.000000 33.39180 
1 1 1   39   35    5 o  213.523   14.581 20002.30  2512.91   0.0000   0.0000 20002.30  2512.91  ?   ?   213.523   14.581 0.000000 14.58131 
1 1 1   39   35    6 o   53.768   11.731  1279.05  497.766   0.0000   0.0000  1279.05  497.766  ?   ?    53.768   11.731 0.000000 11.73142 
1 1 1   39   35    7 o  108.150   11.987  5087.06  1034.94   0.0000   0.0000  5087.06  1034.94  ?   ?   108.150   11.987 0.000000 11.98720 
1 1 1   39   35    8 o   74.225   12.575  2453.45  730.812   0.0000   0.0000  2453.45  730.812  ?   ?    74.225   12.575 0.000000 12.57492 
1 1 1   39   35    9 o   97.341   14.017  4301.58  1075.96   0.0000   0.0000  4301.58  1075.96  ?   ?    97.341   14.017 0.000000 14.01750 
1 1 1   39   37    0 o   53.974   25.385 -836.4496  2851.33   0.0000   0.0000 -836.4496  2851.33  ?   ?    53.974   25.385 0.000000 25.38460 
1 1 1   39   37    1 o   58.662   27.151   14.138  3058.27   0.0000   0.0000   14.138  3058.27  ?   ?    58.662   27.151 0.000000 27.15107 
1 1 1   39   37    2 o   65.651   29.322  1518.74  3189.86   0.0000   0.0000  1518.74  3189.86  ?   ?    65.651   29.322 0.000000 29.32203 
1 1 1   39   37    3 f   53.129   25.311 -1303.0229  3014.02   0.0000   0.0000 -1303.0229  3014.02  ?   ?    53.129   25.311 0.000000 25.31135 
1 1 1   39   37    4 o   63.148   28.686  1179.08  3204.03   0.0000   0.0000  1179.08  3204.03  ?   ?    63.148   28.686 0.000000 28.68605 
1 1 1   39   37    5 o   95.106   37.679  8045.59  4325.01   0.0000   0.0000  8045.59  4325.01  ?   ?    95.106   37.679 0.000000 37.67855 
1 1 1   39   37    6 o  128.041   12.031  7252.64  1236.12   0.0000   0.0000  7252.64  1236.12  ?   ?   128.041   12.031 0.000000 12.03087 
1 1 1   39   37    7 f   82.153   11.993  3029.11  776.422   0.0000   0.0000  3029.11  776.422  ?   ?    82.153   11.993 0.000000 11.99296 
1 1 1   39   39    0 o   73.218   33.980  5553.65  4838.00   0.0000   0.0000  5553.65  4838.00  ?   ?    73.218   33.980 0.000000 33.98034 
1 1 1   39   39    1 o   66.605   31.872  3222.52  4891.44   0.0000   0.0000  3222.52  4891.44  ?   ?    66.605   31.872 0.000000 31.87209 
1 1 1   40    0    0 o  639.297   45.417 169633.30 23301.85   0.0000   0.0000 169633.30 23301.85  639.297   45.417  639.297   45.417 0.000000 0.000000 
1 1 1   40    0    1 o  1069.48   75.345 481121.59 64682.07   0.0000   0.0000 481121.59 64682.07  1069.48   75.345  1069.48   75.345 0.000000 0.000000 
1 1 1   40    0    2 o  1277.12   63.675 678425.50 65655.52 619009.50 92975.00 737525.38 92727.37  1200.34   96.845  1318.37   87.507 0.000000 0.000000 
1 1 1   40    0    3 o  423.854   31.592 74504.75 10733.66 74504.75 10733.66   0.0000   0.0000  423.854   31.592  423.854   31.592 0.000000 0.000000 
1 1 1   40    0    4 o  384.231   29.168 61277.54  8979.40 61277.54  8979.40   0.0000   0.0000  384.231   29.168  384.231   29.168 0.000000 0.000000 
1 1 1   40    0    5 o  1201.95   87.745 629900.19 84585.09 629900.19 84585.09   0.0000   0.0000  1201.95   87.745  1201.95   87.745 0.000000 0.000000 
1 1 1   40    0    7 o  432.028   31.184 77703.45 10808.17   0.0000   0.0000 77703.45 10808.17  432.028   31.184  432.028   31.184 0.000000 0.000000 
1 1 1   40    0    8 o  838.039   60.272 301107.91 40524.96   0.0000   0.0000 301107.91 40524.96  838.039   60.272  838.039   60.272 0.000000 0.000000 
1 1 1   40    0    9 o  398.506   21.574 65416.16  6933.88 55450.57  9984.29 74700.32  9636.90  362.045   34.696  424.043   28.278 0.000000 0.000000 
1 1 1   40    0   10 o  626.224   31.764 162730.09 16056.12 154482.41 22880.92 170731.30 22536.56  601.920   47.496  635.273   44.181 0.000000 0.000000 
1 1 1   40    0   11 o  533.658   39.490 120418.40 16896.20 120418.40 16896.20   0.0000   0.0000  533.658   39.490  533.658   39.490 0.000000 0.000000 
1 1 1   40    0   12 o  837.915   41.955 296661.41 28381.17 297763.69 40331.05 295580.09 39945.80  821.641   61.235  818.996   60.841 0.000000 0.000000 
1 1 1   40    0   13 o  269.168   15.774 29881.43  3420.33 27899.93  5038.68 31574.76  4657.90  256.963   24.672  275.111   21.139 0.000000 0.000000 
1 1 1   40    0   14 o   19.888   13.280 -199.5449  587.653 -1050.9270  1088.23  150.930  698.209   22.917   15.998   25.778   16.145 0.000000 0.000000 
1 1 1   40    0   15 f  174.361   13.266 12648.17  1853.13 11440.38  2869.12 13512.67  2427.36  161.409   23.304  178.964   17.061 0.000000 0.000000 
1 1 1   40    0   16 o  104.072   13.970  4675.20  1120.74  7284.28  1869.81  3212.26  1400.12  128.701   19.138   78.224   25.009 0.000000 0.000000 
1 1 1   40    0   17 o  164.405   13.505 11339.05  1774.88 11292.03  2926.44 11366.40  2232.32  158.457   24.485  162.904   17.374 0.000000 0.000000 
1 1 1   40    0   18 o   30.781   18.204  459.380  783.597 -1383.9091  1730.02  935.149  878.925   29.503   20.499   39.051   20.671 0.000000 0.000000 
1 1 1   40    0   19 o   23.131   15.744 -469.3186  904.793  4313.29  1853.95 -1964.5649  1036.63   88.622   29.057   18.287   13.231 0.000000 0.000000 
1 1 1   40    0   20 o   31.398   19.314  387.801  955.856  2841.40  1787.56 -594.6957  1131.16   65.671   30.379   25.558   17.453 0.000000 0.000000 
1 1 1   40    0   21 o  134.807   15.882  8010.74  1675.11  7984.34  3429.44  8019.01  1919.69  109.831   41.187  132.815   18.910 0.000000 0.000000 
1 1 1   40    0   22 o  235.413   17.710 24670.62  3341.19 27255.66  5797.48 23385.02  4088.45  224.672   34.109  222.243   23.238 0.000000 0.000000 
1 1 1   40    0   23 o   97.371   20.825  4800.51  1446.14 -633.4816  3855.35  5690.26  1560.05   42.800   29.931  107.573   19.851 0.000000 0.000000 
1 1 1   40    2    0 o  824.111   57.822 283446.91 38446.67   0.0000   0.0000 283446.91 38446.67  ?   ?   824.111   57.822 0.000000 57.82201 
1 1 1   40    2    1 o  607.143   42.851 152374.00 20989.27   0.0000   0.0000 152374.00 20989.27  ?   ?   607.143   42.851 0.000000 42.85139 
1 1 1   40    2    2 o  426.507   17.336 74028.57  6003.48 68533.14 10457.41 76730.11  7332.10  408.011   31.817  433.991   20.807 -25.97989 38.01658 
1 1 1   40    2    3 o  691.604   34.300 196309.00 19261.71 181846.30 27343.95 210554.09 27137.56  659.346   51.483  711.354   47.252 -52.00763 69.88087 
1 1 1   40    2    4 o  641.459   26.885 168389.70 14002.74 156490.09 17165.10 192062.00 24210.30  615.882   34.463  679.161   44.142 -63.27917 56.00211 
1 1 1   40    2    5 o  419.923   17.835 71893.96  6081.23 68073.06  7467.06 79419.80 10479.59  407.466   22.659  438.770   29.588 -31.30463 37.26749 
1 1 1   40    2    6 o  182.926   11.857 13671.70  1751.60 16078.25  2350.34 10665.38  2626.95  198.130   14.715  160.247   20.671 37.88211 25.37379 
1 1 1   40    2    7 o  119.982   8.6361  5882.01  835.711  6310.97  996.111  4862.40  1535.75  124.176   9.9633  107.676   18.215 16.50050 20.76202 
1 1 1   40    2    8 o  370.587   26.840 56774.44  8021.65 56774.44  8021.65   0.0000   0.0000  370.587   26.840  ?   ?  0.000000 26.84027 
1 1 1   40    2    9 o  366.243   15.361 54713.65  4567.90 61658.05  7812.73 51106.75  5630.57  386.511   25.029  352.888   19.730 33.62299 31.87014 
1 1 1   40    2   10 o  339.426   14.346 46987.99  3953.91 48830.16  6745.36 46023.72  4880.22  343.723   24.326  335.013   18.007 8.710022 30.26555 
1 1 1   40    2   11 o  574.575   20.020 135375.59  9340.19 139165.70 13229.48 131608.80 13188.66  579.774   28.103  562.783   28.960 16.99091 40.35376 
1 1 1   40    2   12 o  578.550   20.146 137458.20  9464.03 135126.59 13402.87 139776.80 13365.54  569.427   29.085  580.166   28.372 -10.73926 40.63181 
1 1 1   40    2   13 o  414.203   14.923 70174.41  5018.74 73820.17  7117.81 66569.82  7077.50  423.372   20.706  401.170   21.810 22.20212 30.07287 
1 1 1   40    2   14 o  324.246   12.653 42984.32  3331.37 45735.04  4723.73 40262.42  4698.90  332.947   17.535  312.009   18.633 20.93799 25.58632 
1 1 1   40    2   15 o  399.884   14.889 65816.53  4834.30 65162.11  6857.43 66463.10  6816.23  394.457   21.491  398.585   21.137 -4.127716 30.14374 
1 1 1   40    2   16 o  165.263   9.1173 11197.89  1218.71 11879.21  1748.78 10554.58  1699.31  169.445   12.805  159.558   13.236 9.887177 18.41636 
1 1 1   40    2   17 o  137.138   9.2377  7735.98  1022.64  8225.89  1424.82  7215.47  1468.63  140.664   12.609  131.305   13.990 9.358994 18.83387 
1 1 1   40    2   18 o   62.071   14.177  1664.84  698.852  2296.48  978.540  1007.28  998.413   72.536   16.924   52.111   18.636 20.42501 25.17345 
1 1 1   40    2   19 o   40.675   14.461  607.937  600.356  1187.28  824.998 -44.2061  875.297   53.199   16.951   36.951   15.960 16.24779 23.28160 
1 1 1   40    2   20 o   93.172   11.762  3670.09  870.007  2943.43  1252.49  4347.60  1209.40   80.801   19.347  100.246   15.347 -19.44501 24.69441 
1 1 1   40    2   21 o  110.550   11.683  5180.49  1032.78  4495.94  1405.91  5982.92  1522.14  100.111   17.955  116.580   16.544 -16.46886 24.41548 
1 1 1   40    2   22 o   81.350   13.632  2915.51  868.573  3051.80  1112.52  2702.76  1390.00   81.451   17.353   74.638   21.662 6.812729 27.75547 
1 1 1   40    2   23 o   39.787   15.627  515.972  738.047  466.525  909.322  611.433  1263.45   41.537   16.984   47.374   19.756 -5.837276 26.05318 
1 1 1   40    4    0 o  723.469   50.905 217667.00 29712.79   0.0000   0.0000 217667.00 29712.79  ?   ?   723.469   50.905 0.000000 50.90517 
1 1 1   40    4    1 o  1245.13   61.748 648552.38 62427.11 692996.31 88181.38 603898.62 88389.54  1267.06   86.225  1176.56   93.288 90.50549 127.0328 
1 1 1   40    4    2 o  634.635   26.714 164548.09 13765.78 171486.09 16854.31 150646.00 23857.93  646.977   32.084  600.815   49.341 46.16296 58.85470 
1 1 1   40    4    3 o  269.226   10.609 29460.61  2319.25 31092.72  3240.29 27746.16  3321.02  276.066   14.506  260.620   15.768 15.44601 21.42575 
1 1 1   40    4    4 o  878.615   35.327 318148.19 25202.68 338684.09 43454.66 307739.19 30937.45  892.104   60.345  859.315   44.492 32.78931 74.97421 
1 1 1   40    4    5 o  624.348   22.282 159384.50 11295.88 171926.80 15966.21 146815.20 15983.38  646.476   30.417  595.787   33.171 50.68958 45.00573 
1 1 1   40    4    6 o  666.977   23.440 182222.09 12694.12 204430.70 17951.47 160010.00 17952.92  703.974   31.405  620.386   35.792 83.58826 47.61671 
1 1 1   40    4    7 o  611.602   21.791 153117.41 10821.49 167985.09 15314.25 138289.91 15293.57  638.417   29.543  577.385   32.756 61.03149 44.11088 
1 1 1   40    4    8 o  157.467   9.0514 10115.41  1152.43 11286.60  1431.48  7958.19  1942.76  166.218   10.663  138.499   17.679 27.71852 20.64547 
1 1 1   40    4    9 o  363.860   15.520 54016.50  4585.38 55677.23  5610.94 50677.27  7956.24  368.515   18.814  349.351   28.291 19.16400 33.97625 
1 1 1   40    4   10 o  320.936   14.027 42004.58  3655.26 44805.11  4473.24 36376.98  6341.08  330.737   16.711  295.789   26.690 34.94751 31.48991 
1 1 1   40    4   11 o  329.848   17.410 44636.06  4646.20 43990.64  6441.30 45336.11  6708.27  325.783   24.530  330.573   25.182 -4.790344 35.15477 
1 1 1   40    4   12 f  400.653   20.778 66160.51  6736.10   0.0000   0.0000 66160.51  6736.10  ?   ?   400.653   20.778 0.000000 20.77757 
1 1 1   40    4   13 o  195.669   9.2123 15589.81  1463.61 17300.91  2105.66 13990.30  2035.83  205.471   12.683  184.534   13.685 20.93727 18.65831 
1 1 1   40    4   14 o   93.477   9.0744  3594.24  680.076  1904.92  986.266  5125.57  939.018   66.846   17.839  111.592   10.486 -44.74577 20.69300 
1 1 1   40    4   15 o  192.787   9.3851 15176.02  1469.11 15203.35  2091.11 15149.39  2064.43  191.917   13.505  191.609   13.353 0.3077393 18.99173 
1 1 1   40    4   16 o  278.190   11.599 31781.35  2620.03 33567.31  3725.07 30032.83  3685.81  283.925   16.226  268.177   17.015 15.74814 23.51116 
1 1 1   40    4   17 o  142.135   9.4396  8314.27  1083.22  7557.00  1546.03  9044.49  1518.15  134.252   14.408  147.460   12.807 -13.20857 19.27695 
1 1 1   40    4   18 f   70.034   12.473  2088.40  683.259  2318.56  987.822  1877.28  946.076   72.841   17.010   65.567   17.460 7.274338 24.37584 
1 1 1   40    4   19 o   57.361   15.205  1433.48  719.625  1781.28  974.976  1017.26  1066.59   63.700   18.035   52.679   19.204 11.02122 26.34453 
1 1 1   40    4   20 o   77.737   13.551  2607.74  824.220  2272.26  1107.82  3023.69  1233.54   71.071   18.878   81.979   18.916 -10.90853 26.72450 
1 1 1   40    4   21 o   61.086   15.145  1663.35  747.465  1835.76  1015.31  1459.32  1104.46   63.622   18.527   58.108   19.671 5.513645 27.02219 
1 1 1   40    4   22 o  170.747   10.767 12352.67  1485.11 12132.72  2099.06 12573.13  2101.47  165.300   15.833  168.562   15.529 -3.262146 22.17694 
1 1 1   40    4   23 f   75.979   15.057  2659.70  896.090  1393.48  1211.48  4189.32  1331.54   55.358   20.423   93.535   18.187 -38.17753 27.34707 
1 1 1   40    6    0 o  522.003   37.418 112566.60 15754.21   0.0000   0.0000 112566.60 15754.21  ?   ?   522.003   37.418 0.000000 37.41758 
1 1 1   40    6    1 o  190.822   17.536 14950.46  2686.61   0.0000   0.0000 14950.46  2686.61  ?   ?   190.822   17.536 0.000000 17.53583 
1 1 1   40    6    2 o  605.190   42.992 152295.20 20988.53   0.0000   0.0000 152295.20 20988.53  ?   ?   605.190   42.992 0.000000 42.99192 
1 1 1   40    6    3 o  1097.13   39.210 497663.69 34929.46 525125.81 49353.23 470102.19 49442.33  1117.71   54.381  1053.66   58.014 64.04578 79.51723 
1 1 1   40    6    4 o  168.869   8.9648 11622.87  1224.82 15649.97  1710.22  7382.29  1754.97  195.883   10.794  133.588   16.532 62.29446 19.74440 
1 1 1   40    6    5 f  466.989   16.605 88922.01  6296.40 95108.06  8902.84 82731.46  8906.07  482.045   22.746  448.641   24.541 33.40469 33.46122 
1 1 1   40    6    6 o  459.553   16.725 86148.41  6240.68 92372.72  8837.46 79957.23  8813.90  474.875   22.920  440.821   24.724 34.05417 33.71357 
1 1 1   40    6    7 o  315.349   11.944 40477.68  3058.37 44421.73  4342.88 36597.24  4307.72  329.997   16.208  298.855   17.833 31.14166 24.09826 
1 1 1   40    6    8 o  572.653   20.099 134190.70  9345.64 142292.50 13243.84 126154.80 13189.80  587.592   27.759  551.982   29.536 35.60931 40.53301 
1 1 1   40    6    9 o  294.446   11.376 35296.30  2719.75 36010.84  3872.91 34601.04  3820.26  296.562   16.144  290.665   16.252 5.896423 22.90779 
1 1 1   40    6   10 o  105.623   7.3834  4557.22  629.233  5212.12  886.921  3893.55  892.849  112.755   9.7845   97.097   11.552 15.65831 15.13856 
1 1 1   40    6   11 o  522.071   21.306 112004.50  9031.72 114571.50 11074.28 106905.70 15607.59  526.505   25.904  501.898   38.594 24.60629 46.48186 
1 1 1   40    6   12 o  196.168   14.129 15798.40  2235.40 13091.85  3362.43 17942.14  2992.48  176.472   24.096  208.467   17.851 -31.99545 29.98775 
1 1 1   40    6   13 o  319.470   17.272 42016.74  4463.64 42748.53  6157.93 41206.55  6479.43  320.264   23.851  313.767   25.657 6.497162 35.03102 
1 1 1   40    6   14 o  124.350   8.8798  6334.63  890.675  5737.39  1446.37  6699.46  1130.44  117.163   15.591  127.598   11.019 -10.43501 19.09167 
1 1 1   40    6   15 o   81.031   9.3872  2717.50  606.183  2624.45  830.851  2823.42  886.387   78.837   13.463   81.758   13.846 -2.921600 19.31247 
1 1 1   40    6   16 o   56.327   12.438  1356.00  553.671  2214.10  810.408  604.869  758.214   71.963   14.372   43.292   16.120 28.67053 21.59660 
1 1 1   40    6   17 o  258.524   11.243 27512.98  2360.15 29384.82  3396.09 25764.44  3282.33  264.941   15.860  247.762   16.409 17.17961 22.82051 
1 1 1   40    6   18 o   24.188   11.110 -356.8109  498.329 -479.6883  609.308 -108.5732  866.033   26.296   12.153   36.193   15.753 -9.896322 19.89587 
1 1 1   40    6   19 o  103.551   10.566  4476.62  875.949  4012.23  1190.63  5024.53  1293.28   96.358   15.763  108.303   15.119 -11.94497 21.84143 
1 1 1   40    6   20 o  103.595   10.345  4494.56  858.569  4561.21  1153.86  4411.89  1285.11  103.037   14.167  100.437   16.318 2.600746 21.60983 
1 1 1   40    6   21 o   41.176   14.063  682.014  564.560  1219.60  651.111 -946.4567  1133.24   52.485   14.696   34.522   16.161 17.96310 21.84357 
1 1 1   40    6   22 o  159.919   11.260 10907.88  1452.72 11998.65  1972.93  9616.15  2147.00  164.863   14.899  144.169   18.787 20.69324 23.97825 
1 1 1   40    8    0 o  350.363   26.627 50522.13  7518.37   0.0000   0.0000 50522.13  7518.37  ?   ?   350.363   26.627 0.000000 26.62741 
1 1 1   40    8    1 o  226.881   19.530 21146.65  3562.77   0.0000   0.0000 21146.65  3562.77  ?   ?   226.881   19.530 0.000000 19.53016 
1 1 1   40    8    2 o  876.709   42.855 319503.41 30506.85 330058.00 43246.57 309049.19 43040.56  878.834   60.982  848.946   62.887 29.88812 87.59886 
1 1 1   40    8    3 o  333.106   18.126 45394.15  4884.08 43550.39  7019.47 47124.45  6800.04  324.755   26.861  338.284   24.932 -13.52921 36.64896 
1 1 1   40    8    4 o  352.973   10.943 50678.34  3136.42 48931.57  4403.58 52476.80  4468.26  346.490   15.652  358.850   15.335 -12.36072 21.91252 
1 1 1   40    8    5 o  341.763   13.330 47564.32  3699.03 52223.35  5226.13 42887.09  5236.33  357.204   18.078  323.296   20.046 33.90817 26.99364 
1 1 1   40    8    6 o  324.755   12.357 42935.52  3258.48 48099.83  4623.92 37840.88  4592.62  343.353   16.586  303.774   18.711 39.57822 25.00345 
1 1 1   40    8    7 o  384.448   15.009 60265.35  4685.07 64016.70  5760.54 52935.58  8052.19  395.869   17.921  357.362   27.974 38.50690 33.22197 
1 1 1   40    8    8 o  548.123   19.473 122939.40  8666.41 130635.80 12285.25 115315.50 12227.26  563.022   26.873  527.712   28.643 35.30994 39.27614 
1 1 1   40    8    9 o  503.808   20.829 104073.50  8520.69 104941.30 10458.45 102360.40 14694.49  504.005   25.641  493.198   36.963 10.80655 44.98549 
1 1 1   40    8   10 o  738.091   25.742 224906.20 15427.30 219662.41 21860.91 230108.50 21774.35  721.933   37.422  740.584   36.210 -18.65167 52.07290 
1 1 1   40    8   11 o  490.907   17.460 98690.39  6959.71 93771.94  9890.24 103515.00  9795.49  475.471   25.714  500.814   24.089 -25.34268 35.23418 
1 1 1   40    8   12 o  220.359   9.5364 19773.26  1706.30 21225.01  2457.30 18421.52  2371.16  227.592   13.356  211.897   13.858 15.69583 19.24623 
1 1 1   40    8   13 o  398.825   16.641 65325.58  5388.90 63246.22  6623.63 69396.80  9268.14  390.586   20.962  405.800   28.305 -15.21423 35.22218 
1 1 1   40    8   14 o  593.193   24.690 147906.30 11891.93 150848.30 14595.01 142095.09 20512.12  593.213   30.403  557.589   45.708 35.62390 54.89598 
1 1 1   40    8   15 o  178.668   12.303 13172.21  1773.90 14144.15  2331.32 11835.66  2733.84  184.254   15.734  166.873   20.615 17.38132 25.93307 
1 1 1   40    8   16 f  318.047   14.316 41881.11  3697.11 43338.41  6185.45 41071.09  4611.52  317.091   24.207  312.585   18.249 4.505829 30.31491 
1 1 1   40    8   17 o  178.336   9.4199 13081.80  1359.18 13055.36  1941.51 13107.20  1903.41  176.914   13.620  177.371   13.313 -0.4574280 19.04639 
1 1 1   40    8   18 o  165.665   9.6073 11325.11  1286.77 12069.51  1844.47 10619.29  1796.04  169.738   13.494  158.937   14.062 10.80029 19.48973 
1 1 1   40    8   19 f   96.094   10.422  3862.36  800.150  3277.68  1089.69  4546.47  1178.71   86.689   16.073  103.050   14.487 -16.36082 21.63825 
1 1 1   40    8   20 o   64.906   12.957  1830.68  658.965  2289.82  792.995  806.190  1184.55   72.453   13.986   50.776   19.840 21.67698 24.27426 
1 1 1   40    8   21 o   59.965   14.615  1607.62  705.105  1620.58  905.118  1587.60  1124.57   59.769   17.518   59.644   19.848 0.1250610 26.47306 
1 1 1   40    8   22 o  152.276   11.599  9958.74  1423.31 10059.56  1967.79  9848.13  2061.17  148.986   16.546  146.330   17.708 2.656143 24.23528 
1 1 1   40   10    0 o  489.807   35.768 99735.12 14127.01   0.0000   0.0000 99735.12 14127.01  ?   ?   489.807   35.768 0.000000 35.76842 
1 1 1   40   10    1 o  308.026   24.279 39101.21  6023.00   0.0000   0.0000 39101.21  6023.00  ?   ?   308.026   24.279 0.000000 24.27855 
1 1 1   40   10    2 o  541.078   26.922 120249.00 11827.93 129592.10 16840.34 111152.80 16616.33  557.546   37.416  515.188   40.036 42.35748 54.79844 
1 1 1   40   10    3 o  748.209   36.419 232425.50 22125.48 253860.09 31413.26 211323.50 31168.49  772.782   50.338  701.644   55.154 71.13751 74.67153 
1 1 1   40   10    4 o  354.599   14.895 51249.91  4288.54 58753.98  7660.90 47825.11  5175.46  377.499   25.137  341.654   18.728 35.84470 31.34646 
1 1 1   40   10    5 o  310.889   17.431 39581.62  4382.32 35716.71  6430.58 42932.98  5988.12  293.374   27.309  322.825   22.995 -29.45029 35.70090 
1 1 1   40   10    6 o   72.278   6.9099  2142.25  400.580  2157.44  483.355  2108.95  715.807   72.366   8.3813   70.864   12.916 1.501236 15.39715 
1 1 1   40   10    7 o  344.155   12.779 48249.78  3571.06 49194.68  5067.40 47317.56  5033.27  346.458   18.076  339.723   18.314 6.734894 25.73254 
1 1 1   40   10    8 o  192.667   8.5052 15094.99  1330.55 16443.21  1889.94 13770.08  1873.54  200.607   11.653  183.403   12.659 17.20413 17.20558 
1 1 1   40   10    9 o  270.000   12.976 29720.22  2844.65 30044.09  3486.93 29075.76  4918.77  270.721   15.933  264.897   23.100 5.824127 28.06189 
1 1 1   40   10   10 o  191.149   9.1931 14868.34  1426.84 14880.69  2025.87 14856.18  2009.93  190.547   13.175  190.401   13.080 0.1457977 18.56528 
1 1 1   40   10   11 o  375.703   14.285 57669.05  4357.66 58085.57  6208.35 57264.57  6117.98  375.284   20.451  372.659   20.295 2.625153 28.81241 
1 1 1   40   10   12 o  325.988   12.391 43390.22  3279.67 45602.66  4690.29 41273.49  4587.72  332.834   17.416  316.466   17.927 16.36789 24.99413 
1 1 1   40   10   13 o  300.206   11.672 36833.68  2845.20 36208.92  4067.64 37432.17  3981.19  296.084   16.991  301.251   16.337 -5.167511 23.57077 
1 1 1   40   10   14 o  504.241   18.977 105728.40  7769.80 105247.40 11067.69 106195.90 10910.32  495.948   27.593  498.684   27.046 -2.735260 38.63768 
1 1 1   40   10   15 o  128.354   10.216  6790.48  1055.94  7136.78  1274.90  6033.92  1884.42  131.220   12.102  118.307   20.351 12.91235 23.67711 
1 1 1   40   10   16 o  161.500   10.436 10753.47  1361.13 10637.57  1639.12 11010.91  2442.93  160.032   12.719  160.628   19.105 -0.5962524 22.95202 
1 1 1   40   10   17 o   78.761   10.160  2591.92  634.591  2732.38  824.017  2387.20  994.813   80.194   13.108   73.951   16.932 6.242889 21.41316 
1 1 1   40   10   18 o   32.828   12.712  295.311  482.908  987.244  631.579 -678.5365  749.275   48.329   14.748   28.337   13.225 19.99201 19.80909 
1 1 1   40   10   19 o   60.896   12.045  1597.34  574.470  390.909  718.996  3727.13  955.307   38.940   15.383   93.544   12.922 -54.60420 20.09039 
1 1 1   40   10   20 o   58.890   13.285  1521.71  620.110  932.628  726.430  3103.98  1190.54   47.491   15.953   82.792   18.206 -35.30050 24.20648 
1 1 1   40   10   21 o  135.611   10.394  7764.88  1135.75  6798.47  1462.62  9232.62  1802.49  124.444   14.763  144.626   15.596 -20.18137 21.47514 
1 1 1   40   10   22 o   83.931   11.800  3079.03  781.967  1806.32  948.898  5772.44  1380.41   61.558   17.907  112.829   15.475 -51.27091 23.66747 
1 1 1   40   12    0 o  414.854   31.203 71495.55 10433.71   0.0000   0.0000 71495.55 10433.71  ?   ?   414.854   31.203 0.000000 31.20307 
1 1 1   40   12    1 o  385.450   29.280 61603.92  9095.50   0.0000   0.0000 61603.92  9095.50  ?   ?   385.450   29.280 0.000000 29.28049 
1 1 1   40   12    2 o  384.158   29.968 61261.34  9273.79 61261.34  9273.79   0.0000   0.0000  384.158   29.968  ?   ?  0.000000 29.96804 
1 1 1   40   12    3 o  375.470   29.395 58505.74  8890.09 58505.74  8890.09   0.0000   0.0000  375.470   29.395  ?   ?  0.000000 29.39498 
1 1 1   40   12    4 o  172.008   9.3988 12068.16  1307.72 14071.77  2571.50 11369.25  1518.77  184.836   17.337  166.759   11.283 18.07704 20.68504 
1 1 1   40   12    5 o  546.171   21.815 122277.30  9674.36 125934.80 17072.50 120547.30 11741.45  547.462   38.655  540.996   26.729 6.465942 46.99643 
1 1 1   40   12    6 o  347.677   14.684 49302.39  4145.42 51780.44  7503.04 48213.61  4973.42  353.573   26.323  342.971   17.921 10.60260 31.84484 
1 1 1   40   12    7 o  294.343   13.223 35315.28  3160.18 36026.71  5859.05 35023.41  3752.86  294.834   24.702  292.444   15.864 2.389984 29.35736 
1 1 1   40   12    8 o  204.751   7.3046 17042.81  1214.40 13908.58  1704.59 20273.20  1730.55  184.439   11.439  223.209   9.5484 -38.77061 14.90025 
1 1 1   40   12    9 o   97.208   7.8091  3867.44  611.170  3940.44  698.671  3629.52  1261.30   98.014   8.8753   92.691   17.398 5.322464 19.53083 
1 1 1   40   12   10 o  250.021   10.391 25461.60  2109.46 25780.96  2995.57 25147.45  2971.03  250.738   14.779  247.618   14.846 3.120438 20.94778 
1 1 1   40   12   11 o  281.726   11.190 32365.27  2559.67 31477.56  3641.65 33232.09  3598.56  276.691   16.281  284.459   15.640 -7.767914 22.57633 
1 1 1   40   12   12 o  104.570   8.1960  4479.74  690.329  6437.02  917.888  1930.99  1047.43  125.365   9.0788   67.408   18.552 57.95687 20.65467 
1 1 1   40   12   13 f   54.416   9.4057  1242.70  400.552  1286.39  475.132  1135.37  744.709   55.132   10.999   52.395   16.019 2.736469 19.43210 
1 1 1   40   12   14 o  206.042   9.6385 17361.66  1612.52 17786.95  2331.52 16971.68  2232.59  207.285   13.934  202.536   13.656 4.749084 19.50953 
1 1 1   40   12   15 o   80.999   8.9986  2716.72  581.820  3048.55  750.474  2216.81  921.143   85.461   11.075   71.624   16.216 13.83772 19.63763 
1 1 1   40   12   16 o  143.932   9.0053  8522.31  1047.14  9692.78  1463.11  7293.22  1499.30  152.822   11.885  131.770   14.239 21.05205 18.54733 
1 1 1   40   12   17 o   95.906   10.322  3831.41  791.120  3233.99  897.146  5920.25  1677.56   87.328   13.053  116.862   18.278 -29.53364 22.46041 
1 1 1   40   12   18 o  164.940   11.207 11328.92  1491.97 11897.64  1769.17  9928.53  2776.18  168.311   13.048  148.018   23.914 20.29297 27.24223 
1 1 1   40   12   19 o   28.344   11.138  201.581  375.121  114.464  418.271  559.654  847.997   27.896   11.476   43.319   16.825 -15.42270 20.36613 
1 1 1   40   12   20 o   28.532   11.858  103.080  452.882  102.860  520.203  103.772  920.472   30.260   12.653   38.758   16.546 -8.497684 20.82931 
1 1 1   40   12   21 o  118.818   10.193  5984.72  973.842  6665.44  1234.79  4864.58  1583.95  124.213   12.409  101.230   19.980 22.98282 23.51977 
1 1 1   40   12   22 o   58.032   14.358  1556.97  672.867  1956.12  765.548  201.416  1410.80   64.938   14.843   45.306   19.902 19.63205 24.82753 
1 1 1   40   14    0 o  376.499   29.109 58882.59  8829.63   0.0000   0.0000 58882.59  8829.63  ?   ?   376.499   29.109 0.000000 29.10904 
1 1 1   40   14    1 o   48.062   17.835  725.549  926.606   0.0000   0.0000  725.549  926.606  ?   ?    48.062   17.835 0.000000 17.83501 
1 1 1   40   14    2 o  449.916   23.993 83387.54  8733.29 77098.44 12497.14 89390.32 12209.36  428.585   36.252  463.067   32.682 -34.48206 48.80861 
1 1 1   40   14    3 o  619.612   25.284 157967.41 12720.32 151658.30 22396.69 160971.59 15454.92  596.089   46.646  623.580   30.524 -27.49097 55.74506 
1 1 1   40   14    4 o  423.380   18.561 73319.42  6380.85 68021.10 11428.75 75718.98  7691.22  402.467   35.330  429.022   22.155 -26.55444 41.70189 
1 1 1   40   14    5 f  276.783   13.156 31224.78  2956.64 29101.24  5498.89 32088.36  3506.66  264.501   25.938  279.952   15.487 -15.45074 30.20951 
1 1 1   40   14    6 o  275.856   12.923 31018.70  2894.67 30857.22  5414.21 31083.33  3425.33  272.615   24.729  275.492   15.374 -2.877197 29.11818 
1 1 1   40   14    7 o  496.960   20.474 101354.70  8261.60 101942.40 14742.32 101085.60  9975.10  491.088   37.249  494.425   24.927 -3.336914 44.82041 
1 1 1   40   14    8 o  288.765   13.572 34028.13  3182.19 31338.13  6000.88 35080.50  3753.38  273.692   27.370  292.501   15.863 -18.80856 31.63470 
1 1 1   40   14    9 o  176.369   14.137 12786.11  2007.43 10608.64  3174.64 14236.81  2591.24  158.175   25.593  185.610   17.397 -27.43504 30.94543 
1 1 1   40   14   10 o  229.601   11.397 21499.43  2124.69 25623.07  4269.34 20141.93  2449.57  248.370   21.378  221.600   13.681 26.77086 25.38112 
1 1 1   40   14   11 o  415.973   14.506 70879.44  4899.40 69554.80  6976.56 72168.39  6881.99  409.549   21.051  417.967   20.278 -8.418213 29.22921 
1 1 1   40   14   12 o   34.526   9.2571  502.927  264.829  937.775  295.815 -1252.6021  594.368   47.335   7.9805   20.573   10.123 26.76195 12.89083 
1 1 1   40   14   13 f  297.997   11.300 36392.57  2734.31 37046.05  3938.75 35784.69  3798.85  298.739   16.299  293.716   15.989 5.022705 22.83253 
1 1 1   40   14   14 o  128.965   8.1271  6819.59  846.676  7067.78  1167.20  6543.97  1230.03  130.753   11.099  125.534   12.223 5.218887 16.50985 
1 1 1   40   14   15 o  184.027   9.4736 13919.91  1410.78 14297.73  2020.62 13560.57  1970.61  185.351   13.519  180.477   13.546 4.874512 19.13836 
1 1 1   40   14   16 o   44.278   9.6169  836.114  335.853  873.266  377.566  695.296  735.071   45.169   10.495   44.168   15.967 1.001148 19.10690 
1 1 1   40   14   17 o   67.826   9.5412  1929.65  510.927  2078.45  575.194  1373.15  1112.35   70.240   10.400   58.005   19.740 12.23436 22.31207 
1 1 1   40   14   18 o  177.925   9.4508 13106.24  1360.45 12176.84  1885.65 14115.23  1964.74  169.626   13.811  182.956   13.317 -13.32970 19.18546 
1 1 1   40   14   19 f   40.051   12.708  669.952  464.065  623.295  482.123  1257.99  1711.60   39.176   12.994   60.449   23.781 -21.27290 27.09891 
1 1 1   40   14   20 o   53.205   12.679  1251.73  539.954  1229.43  561.367  1527.36  1973.85   52.631   13.168   63.421   25.349 -10.78998 28.56513 
1 1 1   40   14   21 o   18.566   8.6667 -289.1585  322.067 -301.4488  340.276 -183.4574  997.907   19.112   8.9172   36.720   16.400 -17.60791 18.66783 
1 1 1   40   16    0 o  274.935   15.717 30964.46  3494.02   0.0000   0.0000 30964.46  3494.02  ?   ?   274.935   15.717 0.000000 15.71677 
1 1 1   40   16    1 o  331.425   12.225 44749.88  3289.89   0.0000   0.0000 44749.88  3289.89  ?   ?   331.425   12.225 0.000000 12.22525 
1 1 1   40   16    2 o  436.074   16.098 77674.17  5700.11 84737.68 11859.03 75552.00  6500.23  450.134   32.669  429.633   18.633 20.50101 37.60955 
1 1 1   40   16    3 o  390.118   13.958 62077.60  4421.38 68734.76  9194.22 60075.02  5042.74  406.726   28.011  383.463   16.196 23.26297 32.35629 
1 1 1   40   16    4 o   69.949   8.8751  2022.06  492.727  369.051  1434.70  2243.10  524.637   51.877   21.287   73.719   8.9482 -21.84167 23.09109 
1 1 1   40   16    5 o  200.596   11.365 16443.35  1843.44 13905.13  3663.97 17303.64  2133.09  181.850   25.516  205.612   12.841 -23.76155 28.56543 
1 1 1   40   16    6 o  110.999   8.9228  5045.22  797.395  5995.83  1792.40  4810.66  890.356  119.479   19.121  108.217   10.255 11.26228 21.69719 
1 1 1   40   16    7 o  145.455   9.7118  8651.49  1140.41 11558.26  2541.06  7918.37  1276.14  166.778   19.109  138.927   11.414 27.85135 22.25861 
1 1 1   40   16    8 o  180.812   10.632 13366.55  1554.10 15121.00  3282.25 12859.56  1764.42  190.402   21.613  177.118   12.346 13.28421 24.89101 
1 1 1   40   16    9 o  353.502   15.388 51168.38  4416.90 55449.93  8291.97 49472.29  5218.94  363.319   28.332  346.430   18.622 16.88947 33.90398 
1 1 1   40   16   10 o  353.023   16.226 51173.87  4651.11 44504.70  8698.11 53844.40  5504.11  321.711   33.804  360.939   18.846 -39.22794 38.70233 
1 1 1   40   16   11 o  170.725   11.059 11962.95  1524.85 12524.54  3402.48 11821.81  1705.73  170.980   25.270  169.458   12.485 1.522247 28.18545 
1 1 1   40   16   12 f  170.896   11.290 12016.96  1557.78 15459.53  3826.21 11332.95  1705.53  189.262   25.551  165.625   12.781 23.63675 28.56957 
1 1 1   40   16   13 o  185.537   11.759 14202.91  1762.39 15502.95  4251.19 13933.11  1936.66  186.832   28.961  183.409   13.090 3.422852 31.78179 
1 1 1   40   16   14 o   50.109   15.698  1039.88  710.205  346.665  3282.38  1073.92  727.437   71.977   30.997   50.862   15.880 21.11469 34.82755 
1 1 1   40   16   15 o  115.281   8.1092  5466.06  754.225  5685.74  995.351  5169.85  1155.81  117.063   10.586  110.943   13.082 6.119957 16.82891 
1 1 1   40   16   16 o   73.577   8.7718  2253.25  513.718  1817.31  597.257  3492.86  1007.14   65.314   11.691   90.426   14.184 -25.11130 18.38103 
1 1 1   40   16   17 o  185.128   9.0020 14115.42  1353.16 11585.70  1848.11 17038.83  1986.72  165.586   13.874  201.869   12.178 -36.28256 18.46005 
1 1 1   40   16   18 o   51.538   9.2308  1129.97  372.093  1359.80  399.402 -380.3986  1023.87   56.719   8.9708   36.596   16.458 20.12298 18.74449 
1 1 1   40   16   19 o  124.687   9.3347  6498.64  938.202  6838.43  1174.55  5899.66  1559.44  126.991   11.516  114.921   17.244 12.07022 20.73617 
1 1 1   40   16   20 o   54.644   11.228  1309.39  481.498  1306.84  495.997  1351.04  2006.05   54.485   11.569   61.115   25.135 -6.630203 27.66964 
1 1 1   40   16   21 f   36.406   12.122  559.394  419.474  483.623  424.933  3451.34  2625.23   34.735   12.184   75.795   29.558 -41.05945 31.97060 
1 1 1   40   18    0 o  125.566   12.390  6489.56  1246.80   0.0000   0.0000  6489.56  1246.80  ?   ?   125.566   12.390 0.000000 12.39043 
1 1 1   40   18    1 o  207.679   14.394 17692.02  2412.20   0.0000   0.0000 17692.02  2412.20  ?   ?   207.679   14.394 0.000000 14.39359 
1 1 1   40   18    2 o  337.762   14.498 46583.53  3976.17   0.0000   0.0000 46583.53  3976.17  ?   ?   337.762   14.498 0.000000 14.49827 
1 1 1   40   18    3 o  208.498   8.9236 17688.12  1510.70 20891.79  3490.32 16949.61  1675.80  224.871   19.303  204.034   10.115 20.83720 21.79277 
1 1 1   40   18    4 o  372.390   13.996 56619.85  4231.94 66388.61  8872.25 53742.70  4814.98  399.121   27.546  362.430   16.362 36.69144 32.03886 
1 1 1   40   18    5 o  509.842   20.709 106905.10  8573.14 115824.70 15450.98 102937.60 10304.95  522.453   36.655  498.003   25.571 24.44949 44.69254 
1 1 1   40   18    6 o  359.587   15.453 52897.07  4511.73 56288.63  8434.55 51537.68  5339.90  366.563   28.564  353.848   18.652 12.71475 34.11415 
1 1 1   40   18    7 o  451.087   17.909 83529.27  6559.60 98700.08 11999.65 77063.81  7833.64  484.343   30.671  431.374   22.443 52.96915 38.00488 
1 1 1   40   18    8 o  227.899   15.754 21389.20  2897.24 24639.32  4546.82 19167.49  3759.25  242.727   23.359  214.224   21.921 28.50262 32.03350 
1 1 1   40   18    9 o  242.256   12.456 24060.66  2441.82 26559.91  5001.45 23278.50  2797.94  251.063   24.861  237.850   14.558 13.21362 28.80980 
1 1 1   40   18   10 o  385.631   17.381 61450.39  5442.25 59687.53 10262.00 62140.20  6419.33  369.315   34.626  385.940   20.559 -16.62491 40.26908 
1 1 1   40   18   11 o   83.967   13.096  2965.10  863.736  6593.15  2984.54  2633.47  902.349  121.078   30.402   78.700   14.660 42.37742 33.75190 
1 1 1   40   18   12 o   76.486   13.221  2478.22  791.391  2027.64  3116.54  2509.28  818.210   81.451   32.074   76.890   13.603 4.560760 34.83984 
1 1 1   40   18   13 f  149.970   11.852  9321.81  1431.43  8903.31  4116.12  9379.38  1526.73  136.264   36.478  150.227   12.634 -13.96230 38.60418 
1 1 1   40   18   14 o  137.615   12.140  7886.07  1342.65 10043.46  4128.10  7630.85  1419.85  143.900   35.541  135.072   13.111 8.827759 37.88190 
1 1 1   40   18   15 o   86.104   15.543  3200.95  1046.68  3464.09  3303.29  3171.58  1103.54   90.309   33.642   85.406   16.511 4.903404 37.47537 
1 1 1   40   18   16 o   83.319   16.951  3051.72  1107.75  8287.23  4720.50  2746.60  1139.57  123.678   40.640   78.590   18.214 45.08749 44.53524 
1 1 1   40   18   17 o   37.756   15.963  117.770  842.588 -3077.3359  4839.77  217.640  855.655   68.171   32.362   39.145   16.286 29.02551 36.22851 
1 1 1   40   18   18 o   90.814   17.922  3726.21  1274.61  6425.75  4886.67  3529.13  1320.32  103.512   40.338   87.775   19.071 15.73676 44.61913 
1 1 1   40   18   19 o  162.176   16.989 11798.12  2203.98   0.0000   0.0000 11798.12  2203.98  ?   ?   162.176   16.989 0.000000 16.98935 
1 1 1   40   18   20 o   54.633   21.663  1181.52  1430.75   0.0000   0.0000  1181.52  1430.75  ?   ?    54.633   21.663 0.000000 21.66271 
1 1 1   40   20    0 o  590.688   30.414 146236.50 14537.60   0.0000   0.0000 146236.50 14537.60  ?   ?   590.688   30.414 0.000000 30.41393 
1 1 1   40   20    1 o  389.723   21.560 62768.62  6796.00   0.0000   0.0000 62768.62  6796.00  ?   ?   389.723   21.560 0.000000 21.56007 
1 1 1   40   20    2 o  268.452   17.160 29654.69  3720.79   0.0000   0.0000 29654.69  3720.79  ?   ?   268.452   17.160 0.000000 17.15965 
1 1 1   40   20    3 o  445.504   22.438 82121.18  8090.62 63044.79 16812.49 87870.24  9229.59  371.171   57.656  459.922   24.807 -88.75027 62.76625 
1 1 1   40   20    4 o  345.018   13.003 48607.99  3642.82 56625.14  7867.06 46419.84  4109.98  368.171   26.493  336.837   15.027 31.33362 30.45852 
1 1 1   40   20    5 o  111.820   8.8023  5121.85  792.734  6128.12  2358.65  4993.71  841.697  119.361   25.131  110.323   9.4885 9.038544 26.86281 
1 1 1   40   20    6 o  299.227   13.926 36629.11  3383.41 34517.77  6667.60 37361.30  3926.49  285.489   29.173  301.401   16.103 -15.91183 33.32240 
1 1 1   40   20    7 o  199.008   16.333 16376.05  2616.02 13837.13  4137.58 18066.90  3376.56  179.082   29.481  208.125   20.237 -29.04286 35.75823 
1 1 1   40   20    8 o  163.710   10.834 10995.95  1432.04 14237.97  3396.10 10294.83  1579.31  183.276   23.352  158.118   12.401 25.15756 26.43998 
1 1 1   40   20    9 o  500.533   20.699 104584.20  8412.31 120144.40 15524.80 98116.48 10009.09  520.068   37.006  480.623   25.741 39.44464 45.07827 
1 1 1   40   20   10 o  393.854   17.179 64466.28  5493.81 75540.36 10584.31 60382.51  6427.45  414.051   31.724  378.505   20.996 35.54553 38.04253 
1 1 1   40   20   11 o   47.036   16.224  842.287  751.949  2414.50  3230.23  752.209  773.190   84.757   32.861   45.809   16.398 38.94782 36.72523 
1 1 1   40   20   12 o  234.522   13.250 22825.53  2512.83 21961.36  6010.52 23008.56  2766.17  216.519   35.413  234.932   14.573 -18.41206 38.29407 
1 1 1   40   20   13 o  119.357   12.757  5964.95  1217.20  5123.96  4258.30  6039.77  1270.19  105.894   38.407  119.965   13.262 -14.07105 40.63187 
1 1 1   40   20   14 o  151.385   12.870  9592.27  1566.92  7443.95  4492.25  9889.85  1671.92  120.602   39.646  153.483   13.555 -32.88107 41.89965 
1 1 1   40   20   15 o  171.581   13.325 12382.27  1841.79 13195.94  5650.33 12285.54  1948.19  153.626   43.388  170.508   14.201 -16.88292 45.65317 
1 1 1   40   20   16 o  168.364   13.806 12026.26  1870.77 15279.12  5993.10 11675.08  1969.16  160.439   44.465  165.333   14.826 -4.893799 46.87180 
1 1 1   40   20   17 o   35.658   15.750 -171.4130  894.900  7011.89  4196.32 -513.6687  915.971  109.520   38.294   33.179   15.174 76.34132 41.19122 
1 1 1   40   20   18 o   65.479   20.930  2006.61  1257.03   0.0000   0.0000  2006.61  1257.03  ?   ?    65.479   20.930 0.000000 20.92985 
1 1 1   40   20   19 o   38.021   17.244 -358.6383  1151.84   0.0000   0.0000 -358.6383  1151.84  ?   ?    38.021   17.244 0.000000 17.24393 
1 1 1   40   22    0 o  528.506   28.149 117206.60 12036.25   0.0000   0.0000 117206.60 12036.25  ?   ?   528.506   28.149 0.000000 28.14948 
1 1 1   40   22    1 o  524.049   27.986 115205.30 11865.33   0.0000   0.0000 115205.30 11865.33  ?   ?   524.049   27.986 0.000000 27.98620 
1 1 1   40   22    2 o  608.124   32.245 156738.20 15864.93   0.0000   0.0000 156738.20 15864.93  ?   ?   608.124   32.245 0.000000 32.24498 
1 1 1   40   22    3 o  359.906   11.410 52871.54  3334.40 57097.73  7498.54 51829.91  3722.70  369.423   25.148  356.082   12.876 13.34106 28.25269 
1 1 1   40   22    4 o  376.474   13.446 57999.64  4110.18 63346.04  8999.48 56590.54  4620.19  387.020   28.845  371.435   15.319 15.58456 32.66087 
1 1 1   40   22    5 o  313.657   14.225 40332.62  3622.80 41657.61  7984.78 39989.16  4065.33  311.277   32.050  311.487   16.129 -0.2098389 35.87981 
1 1 1   40   22    6 o  199.760   14.810 16483.56  2385.05 17335.49  4420.72 16133.76  2832.68  200.708   27.879  196.837   17.920 3.870529 33.14167 
1 1 1   40   22    7 o  191.046   12.306 15024.27  1898.81 10403.10  4922.30 15832.16  2058.11  149.790   39.795  195.981   13.007 -46.19078 41.86727 
1 1 1   40   22    8 o  283.854   14.525 33324.91  3336.58 34510.24  7210.53 33001.94  3763.79  279.068   32.426  281.711   16.527 -2.642639 36.39459 
1 1 1   40   22    9 o  391.508   17.081 63858.58  5429.89 76447.86 10654.94 59442.10  6310.86  414.515   31.902  374.909   20.813 39.60571 38.09117 
1 1 1   40   22   10 o  298.684   14.162 36961.78  3434.66 46953.61  7365.86 34185.62  3882.60  326.259   28.079  285.625   16.815 40.63400 32.72867 
1 1 1   40   22   11 o  160.047   12.007 10629.62  1548.97 18564.89  4770.06  9694.22  1637.73  202.054   29.985  152.404   13.370 49.65027 32.83014 
1 1 1   40   22   12 o  121.553   12.852  6192.77  1249.20  667.894  4093.06  6760.26  1311.78   79.196   34.358  127.041   12.896 -47.84521 36.69841 
1 1 1   40   22   13 o  149.262   12.528  9319.53  1504.28 12925.02  4755.01  8918.55  1585.72  160.049   37.283  145.626   13.567 14.42380 39.67445 
1 1 1   40   22   14 o  134.617   13.070  7641.52  1410.64 10069.24  5503.95  7470.84  1459.39  132.846   43.895  132.840   13.728 0.6515503E-02 45.99126 
1 1 1   40   22   15 o   59.933   18.068  1582.72  952.210 -496.2607  4385.93  1685.56  975.477   73.090   33.341   61.657   18.219 11.43302 37.99448 
1 1 1   40   22   16 o  107.467   16.747  5108.81  1413.76  7526.46  6329.77  4981.88  1450.40  108.369   44.618  105.709   17.511 2.660347 47.93109 
1 1 1   40   22   17 o   80.269   21.359  3093.36  1416.52   0.0000   0.0000  3093.36  1416.52  ?   ?    80.269   21.359 0.000000 21.35900 
1 1 1   40   22   18 o  153.411   17.002 10735.57  2082.22   0.0000   0.0000 10735.57  2082.22  ?   ?   153.411   17.002 0.000000 17.00187 
1 1 1   40   24    0 o  341.607   20.846 48631.49  5754.48   0.0000   0.0000 48631.49  5754.48  ?   ?   341.607   20.846 0.000000 20.84604 
1 1 1   40   24    1 o  406.823   23.451 69383.64  7713.69   0.0000   0.0000 69383.64  7713.69  ?   ?   406.823   23.451 0.000000 23.45104 
1 1 1   40   24    2 o   60.378   19.567  1470.02  1095.81   0.0000   0.0000  1470.02  1095.81  ?   ?    60.378   19.567 0.000000 19.56716 
1 1 1   40   24    3 o  153.002   16.678  9769.92  2038.41   0.0000   0.0000  9769.92  2038.41  ?   ?   153.002   16.678 0.000000 16.67814 
1 1 1   40   24    4 o  183.298   14.868 13924.76  2193.77 17379.85  4475.78 12832.24  2516.83  200.040   28.349  175.085   17.958 24.95529 33.55841 
1 1 1   40   24    5 o  116.480   9.6955  5583.62  908.646  2997.23  3725.20  5747.24  936.945   92.927   35.480  118.159   9.8558 -25.23229 36.82324 
1 1 1   40   24    6 o   78.283   10.902  2559.10  674.148  3171.07  2925.23  2524.77  692.797   89.298   31.902   77.665   11.319 11.63364 33.85049 
1 1 1   40   24    7 o  120.479   10.651  5999.60  1031.19 10528.86  3862.02  5651.90  1070.04  151.524   32.373  116.748   11.435 34.77678 34.33310 
1 1 1   40   24    8 o  133.710   10.707  7389.12  1152.69 17669.26  3954.85  6434.73  1205.02  201.178   24.732  124.407   12.081 76.77039 27.52502 
1 1 1   40   24    9 o  162.764   11.306 10962.20  1484.96 14225.28  4538.08 10570.91  1571.47  174.518   33.239  159.565   12.222 14.95293 35.41496 
1 1 1   40   24   10 o   88.611   14.096  3342.31  980.250  5882.14  3759.47  3157.04  1015.37  110.835   36.261   85.780   15.131 25.05444 39.29128 
1 1 1   40   24   11 o   83.232   16.079  3004.98  1047.33  3070.10  4700.12  3001.57  1074.34   94.029   38.549   83.059   16.512 10.96989 41.93676 
1 1 1   40   24   12 o  158.665   16.501 10766.61  2094.77   0.0000   0.0000 10766.61  2094.77  ?   ?   158.665   16.501 0.000000 16.50121 
1 1 1   40   24   13 o   46.850   18.127  668.966  981.335 -131.7625  5357.83  696.760  998.222   81.440   37.034   47.432   18.302 34.00766 41.30946 
1 1 1   40   24   14 o  189.482   14.062 15269.54  2148.01 15025.17  7514.05 15291.29  2241.55  145.689   51.226  189.220   14.705 -43.53096 53.29515 
1 1 1   40   24   15 o   46.220   18.161  646.075  997.052 -1483.5720  5244.33  725.939  1015.58   72.912   34.333   47.451   18.418 25.46110 38.96095 
1 1 1   40   24   16 o   54.723   20.712  1169.80  1262.53   0.0000   0.0000  1169.80  1262.53  ?   ?    54.723   20.712 0.000000 20.71178 
1 1 1   40   24   17 o  134.172   16.185  8149.76  1727.67   0.0000   0.0000  8149.76  1727.67  ?   ?   134.172   16.185 0.000000 16.18523 
1 1 1   40   24   18 o   49.323   20.145  848.527  1277.44   0.0000   0.0000  848.527  1277.44  ?   ?    49.323   20.145 0.000000 20.14480 
1 1 1   40   26    0 o  108.459   17.178  5002.33  1462.42   0.0000   0.0000  5002.33  1462.42  ?   ?   108.459   17.178 0.000000 17.17844 
1 1 1   40   26    1 o   37.145   16.078 -93.8238  892.112   0.0000   0.0000 -93.8238  892.112  ?   ?    37.145   16.078 0.000000 16.07753 
1 1 1   40   26    2 o  232.066   18.456 22637.70  3448.91   0.0000   0.0000 22637.70  3448.91  ?   ?   232.066   18.456 0.000000 18.45586 
1 1 1   40   26    3 o   85.233   20.801  3182.09  1426.91   0.0000   0.0000  3182.09  1426.91  ?   ?    85.233   20.801 0.000000 20.80117 
1 1 1   40   26    4 o  224.171   8.9646 20560.74  1631.73 47321.04  5465.72 17942.35  1709.70  334.298   20.231  209.201   10.065 125.0978 22.59678 
1 1 1   40   26    5 o  215.090   10.981 19064.70  1911.41 24799.04  5513.07 18281.22  2037.81  235.443   29.485  210.315   11.983 25.12830 31.82674 
1 1 1   40   26    6 o  311.439   13.642 40191.71  3449.80 51796.96  8613.55 37974.48  3764.95  337.752   31.782  301.515   15.430 36.23730 35.32982 
1 1 1   40   26    7 f  158.850   10.431 10420.63  1337.91 17104.33  5016.46  9908.81  1388.19  190.981   33.575  154.701   11.126 36.27985 35.37049 
1 1 1   40   26    8 o  135.683   11.894  7666.74  1297.12  8180.96  5118.43  7631.45  1340.90  126.453   42.348  135.236   12.348 -8.782890 44.11134 
1 1 1   40   26    9 o  298.737   14.455 37314.27  3506.15 51274.14  8803.29 34682.40  3822.40  329.187   33.398  286.330   16.511 42.85684 37.25637 
1 1 1   40   26   10 o  120.386   12.457  6087.08  1200.05   80.112  4942.48  6463.39  1237.06   81.243   36.377  124.092   12.445 -42.84975 38.44681 
1 1 1   40   26   11 o  157.061   13.493 10405.12  1703.99 10905.57  6562.44 10368.94  1764.51  134.166   47.798  156.551   14.030 -22.38484 49.81507 
1 1 1   40   26   12 o  103.414   16.488  4671.57  1337.94  7839.12  6350.89  4524.46  1368.66  115.410   45.678  101.420   17.237 13.99035 48.82253 
1 1 1   40   26   13 o  107.550   16.215  5070.77  1372.01  9363.18  6918.33  4895.04  1399.81  117.794   47.324  105.288   16.949 12.50531 50.26727 
1 1 1   40   26   14 o  107.575   17.525  5190.79  1478.07   0.0000   0.0000  5190.79  1478.07  ?   ?   107.575   17.525 0.000000 17.52530 
1 1 1   40   26   15 o   97.078   18.344  4354.05  1392.97   0.0000   0.0000  4354.05  1392.97  ?   ?    97.078   18.344 0.000000 18.34400 
1 1 1   40   26   16 o   59.162   21.001  1628.08  1265.78   0.0000   0.0000  1628.08  1265.78  ?   ?    59.162   21.001 0.000000 21.00135 
1 1 1   40   26   17 o  100.040   26.253  5707.27  2159.35   0.0000   0.0000  5707.27  2159.35  ?   ?   100.040   26.253 0.000000 26.25319 
1 1 1   40   28    0 o  174.102   17.943 12895.16  2500.19   0.0000   0.0000 12895.16  2500.19  ?   ?   174.102   17.943 0.000000 17.94318 
1 1 1   40   28    1 o   96.971   21.592  4170.39  1656.44   0.0000   0.0000  4170.39  1656.44  ?   ?    96.971   21.592 0.000000 21.59223 
1 1 1   40   28    2 o  219.127   19.436 20518.36  3422.21   0.0000   0.0000 20518.36  3422.21  ?   ?   219.127   19.436 0.000000 19.43582 
1 1 1   40   28    3 o  148.119   19.408  9455.79  2277.95   0.0000   0.0000  9455.79  2277.95  ?   ?   148.119   19.408 0.000000 19.40763 
1 1 1   40   28    4 o   22.327   8.5992  134.530  220.061   0.0000   0.0000  134.530  220.061  ?   ?    22.327   8.5992 0.000000 8.599210 
1 1 1   40   28    5 o  219.749   10.479 19895.31  1869.70 38513.87  6552.07 18244.79  1950.82  292.049   27.972  209.829   11.494 82.21965 30.24179 
1 1 1   40   28    6 o  204.290   12.485 17381.04  2061.04 18788.76  6870.76 17241.85  2160.53  186.160   45.775  203.183   13.167 -17.02339 47.63073 
1 1 1   40   28    7 o  136.255   11.550  7742.33  1265.81  4617.55  5119.74  7945.78  1306.37  102.830   40.913  137.975   11.773 -35.14442 42.57377 
1 1 1   40   28    8 o   86.195   13.311  3169.90  901.619  3912.27  4580.90  3139.98  919.607   96.469   38.596   85.667   13.681 10.80218 40.94877 
1 1 1   40   28    9 o  146.212   12.759  8995.18  1499.58  5162.80  6693.14  9197.73  1538.70  106.305   44.969  147.782   12.954 -41.47690 46.79789 
1 1 1   40   28   10 o  131.369   13.427  7325.33  1412.05 12335.41  7263.74  7128.56  1439.51  135.724   50.018  129.366   13.924 6.357758 51.91991 
1 1 1   40   28   11 o   54.458   17.818  1267.03  907.725 -2447.5649  7016.68  1330.26  915.417   81.084   38.627   55.520   17.873 25.56403 42.56133 
1 1 1   40   28   12 o  159.196   14.843 10951.78  1896.52 21844.10  8595.87 10394.44  1944.43  163.186   54.878  154.504   15.718 8.682297 57.08489 
1 1 1   40   28   13 o   33.788   15.564 -600.4905  987.547   0.0000   0.0000 -600.4905  987.547  ?   ?    33.788   15.564 0.000000 15.56418 
1 1 1   40   28   14 o   51.447   20.059  971.093  1208.80   0.0000   0.0000  971.093  1208.80  ?   ?    51.447   20.059 0.000000 20.05877 
1 1 1   40   28   15 o   74.621   22.115  2857.83  1435.56   0.0000   0.0000  2857.83  1435.56  ?   ?    74.621   22.115 0.000000 22.11529 
1 1 1   40   30    0 o   75.520   23.399  2543.16  1582.88   0.0000   0.0000  2543.16  1582.88  ?   ?    75.520   23.399 0.000000 23.39898 
1 1 1   40   30    1 o   93.845   25.703  4079.90  2016.24   0.0000   0.0000  4079.90  2016.24  ?   ?    93.845   25.703 0.000000 25.70348 
1 1 1   40   30    2 f  208.854   22.024 19225.53  3678.61   0.0000   0.0000 19225.53  3678.61  ?   ?   208.854   22.024 0.000000 22.02427 
1 1 1   40   30    3 o   75.346   25.810  2457.79  1901.65   0.0000   0.0000  2457.79  1901.65  ?   ?    75.346   25.810 0.000000 25.80961 
1 1 1   40   30    4 o   87.283   29.573  3494.08  2496.38   0.0000   0.0000  3494.08  2496.38  ?   ?    87.283   29.573 0.000000 29.57295 
1 1 1   40   30    5 o  151.988   11.676  9652.59  1429.96   0.0000   0.0000  9652.59  1429.96  ?   ?   151.988   11.676 0.000000 11.67641 
1 1 1   40   30    6 o  190.064   12.152 15119.24  1865.56 20663.57  7641.97 14767.89  1923.77  183.213   49.983  187.572   12.706 -4.358734 51.57242 
1 1 1   40   30    7 o  160.646   12.133 10835.45  1570.89 14172.74  7336.55 10675.10  1608.19  145.669   50.651  159.269   12.537 -13.59944 52.17977 
1 1 1   40   30    8 o   74.443   13.791  2406.72  802.925  5059.36  6806.56  2369.29  808.570  102.666   44.423   73.778   14.010 28.88840 46.58005 
1 1 1   40   30    9 o   48.787   16.200  993.311  749.334 -6627.6030  6964.89  1082.56  753.709   72.380   35.419   50.398   16.217 21.98167 38.95509 
1 1 1   40   30   10 o  134.375   13.865  7767.46  1491.07 11805.02  8588.91  7642.00  1514.06  119.282   50.722  133.080   14.232 -13.79861 52.68113 
1 1 1   40   30   11 o  117.898   15.307  6115.62  1430.72   0.0000   0.0000  6115.62  1430.72  ?   ?   117.898   15.307 0.000000 15.30666 
1 1 1   40   30   12 o   90.892   19.142  3884.96  1368.05   0.0000   0.0000  3884.96  1368.05  ?   ?    90.892   19.142 0.000000 19.14166 
1 1 1   40   30   13 o   27.003   13.225 -1690.8220  977.408   0.0000   0.0000 -1690.8220  977.408  ?   ?    27.003   13.225 0.000000 13.22537 
1 1 1   40   30   14 o   51.867   21.010  1016.90  1375.95   0.0000   0.0000  1016.90  1375.95  ?   ?    51.867   21.010 0.000000 21.01045 
1 1 1   40   32    0 o  301.730   24.758 41784.66  6012.19   0.0000   0.0000 41784.66  6012.19  ?   ?   301.730   24.758 0.000000 24.75825 
1 1 1   40   32    1 o  184.131   23.700 15504.29  3461.03   0.0000   0.0000 15504.29  3461.03  ?   ?   184.131   23.700 0.000000 23.69963 
1 1 1   40   32    2 o  159.327   24.569 11752.84  3076.25   0.0000   0.0000 11752.84  3076.25  ?   ?   159.327   24.569 0.000000 24.56897 
1 1 1   40   32    3 o  164.645   26.535 12811.61  3426.82   0.0000   0.0000 12811.61  3426.82  ?   ?   164.645   26.535 0.000000 26.53514 
1 1 1   40   32    4 o  109.852   31.749  6199.83  2991.49   0.0000   0.0000  6199.83  2991.49  ?   ?   109.852   31.749 0.000000 31.74866 
1 1 1   40   32    5 f   49.258   10.904  1049.38  424.606   0.0000   0.0000  1049.38  424.606  ?   ?    49.258   10.904 0.000000 10.90427 
1 1 1   40   32    6 o  140.624   12.692  8399.96  1433.61 13141.87  8952.19  8275.15  1452.35  126.304   52.623  139.430   12.978 -13.12537 54.19984 
1 1 1   40   32    7 o   86.305   11.872  3186.06  809.895  8496.33  8290.49  3134.90  813.787  109.194   48.099   85.532   12.052 23.66190 49.58554 
1 1 1   40   32    8 o  131.369   13.440  7430.13  1413.44   0.0000   0.0000  7430.13  1413.44  ?   ?   131.369   13.440 0.000000 13.44022 
1 1 1   40   32    9 o  102.540   14.071  4603.28  1140.67   0.0000   0.0000  4603.28  1140.67  ?   ?   102.540   14.071 0.000000 14.07131 
1 1 1   40   32   10 o   28.956   13.187 -341.3448  682.485   0.0000   0.0000 -341.3448  682.485  ?   ?    28.956   13.187 0.000000 13.18692 
1 1 1   40   32   11 o  106.295   15.801  5136.77  1322.28   0.0000   0.0000  5136.77  1322.28  ?   ?   106.295   15.801 0.000000 15.80114 
1 1 1   40   32   12 o   89.874   18.870  3937.39  1333.21   0.0000   0.0000  3937.39  1333.21  ?   ?    89.874   18.870 0.000000 18.87034 
1 1 1   40   34    0 o   79.626   27.855  3103.95  2220.38   0.0000   0.0000  3103.95  2220.38  ?   ?    79.626   27.855 0.000000 27.85487 
1 1 1   40   34    1 o  116.349   32.190  7332.70  3143.77   0.0000   0.0000  7332.70  3143.77  ?   ?   116.349   32.190 0.000000 32.19007 
1 1 1   40   34    2 o  200.569   28.123 20048.49  4454.07   0.0000   0.0000 20048.49  4454.07  ?   ?   200.569   28.123 0.000000 28.12291 
1 1 1   40   34    3 o  104.640   33.444  6141.47  3209.70   0.0000   0.0000  6141.47  3209.70  ?   ?   104.640   33.444 0.000000 33.44423 
1 1 1   40   34    4 o   89.202   33.109  4318.04  3193.56   0.0000   0.0000  4318.04  3193.56  ?   ?    89.202   33.109 0.000000 33.10855 
1 1 1   40   34    5 o  153.242   12.000 10013.82  1481.25   0.0000   0.0000 10013.82  1481.25  ?   ?   153.242   12.000 0.000000 12.00042 
1 1 1   40   34    6 f  182.770   13.250 14418.00  1953.03   0.0000   0.0000 14418.00  1953.03  ?   ?   182.770   13.250 0.000000 13.25028 
1 1 1   40   34    7 o   38.600   12.594  626.704  453.605   0.0000   0.0000  626.704  453.605  ?   ?    38.600   12.594 0.000000 12.59386 
1 1 1   40   34    8 o   43.273   13.809  816.494  547.347   0.0000   0.0000  816.494  547.347  ?   ?    43.273   13.809 0.000000 13.80876 
1 1 1   40   34    9 o   45.233   15.808  875.305  715.045   0.0000   0.0000  875.305  715.045  ?   ?    45.233   15.808 0.000000 15.80809 
1 1 1   40   34   10 o   34.762   14.857  138.034  743.643   0.0000   0.0000  138.034  743.643  ?   ?    34.762   14.857 0.000000 14.85680 
1 1 1   40   36    0 o  126.858   33.566  9715.87  3511.14   0.0000   0.0000  9715.87  3511.14  ?   ?   126.858   33.566 0.000000 33.56625 
1 1 1   40   36    1 o   95.473   34.937  5940.71  3534.94   0.0000   0.0000  5940.71  3534.94  ?   ?    95.473   34.937 0.000000 34.93691 
1 1 1   40   36    2 o   52.209   24.183 -672.3857  2432.98   0.0000   0.0000 -672.3857  2432.98  ?   ?    52.209   24.183 0.000000 24.18296 
1 1 1   40   36    3 o   79.674   32.163  3667.81  3212.43   0.0000   0.0000  3667.81  3212.43  ?   ?    79.674   32.163 0.000000 32.16333 
1 1 1   40   36    4 o   67.599   29.988  1604.26  3279.00   0.0000   0.0000  1604.26  3279.00  ?   ?    67.599   29.988 0.000000 29.98833 
1 1 1   40   36    5 o  121.520   11.734  6414.93  1143.37   0.0000   0.0000  6414.93  1143.37  ?   ?   121.520   11.734 0.000000 11.73380 
1 1 1   40   36    6 o   27.188   10.809  189.718  357.048   0.0000   0.0000  189.718  357.048  ?   ?    27.188   10.809 0.000000 10.80863 
1 1 1   40   36    7 o   64.232   12.355  1857.69  620.954   0.0000   0.0000  1857.69  620.954  ?   ?    64.232   12.355 0.000000 12.35465 
1 1 1   40   36    8 o   43.931   13.746  881.354  544.747   0.0000   0.0000  881.354  544.747  ?   ?    43.931   13.746 0.000000 13.74587 
1 1 1   40   38    0 o   64.245   29.139  1862.86  3289.41   0.0000   0.0000  1862.86  3289.41  ?   ?    64.245   29.139 0.000000 29.13872 
1 1 1   40   38    1 o   77.280   33.513  4743.34  3890.77   0.0000   0.0000  4743.34  3890.77  ?   ?    77.280   33.513 0.000000 33.51260 
1 1 1   40   38    2 f   46.264   22.670 -2742.1321  2882.28   0.0000   0.0000 -2742.1321  2882.28  ?   ?    46.264   22.670 0.000000 22.67019 
1 1 1   40   38    3 o   86.760   36.974  7699.67  4582.31   0.0000   0.0000  7699.67  4582.31  ?   ?    86.760   36.974 0.000000 36.97441 
1 1 1   40   38    4 o   56.320   27.939 -2560.3201  4860.90   0.0000   0.0000 -2560.3201  4860.90  ?   ?    56.320   27.939 0.000000 27.93866 
1 1 1   41    1    0 o  607.431   42.958 152588.50 21050.92   0.0000   0.0000 152588.50 21050.92  ?   ?   607.431   42.958 0.000000 42.95814 
1 1 1   41    1    1 o  754.023   52.998 236991.00 32241.51   0.0000   0.0000 236991.00 32241.51  ?   ?   754.023   52.998 0.000000 52.99818 
1 1 1   41    1    2 o  598.370   24.593 146129.09 11948.58 117288.70 20770.05 160395.00 14607.84  529.901   48.822  626.299   28.725 -96.39722 56.64577 
1 1 1   41    1    3 o   74.134   15.021  2317.21  873.206  2317.21  873.206   0.0000   0.0000   74.134   15.021  ?   ?  0.000000 15.02107 
1 1 1   41    1    4 o  410.466   22.040 68994.78  7318.80 68994.78  7318.80   0.0000   0.0000  410.466   22.040  ?   ?  0.000000 22.04024 
1 1 1   41    1    5 o  699.598   37.938 203327.41 21470.11 203327.41 21470.11   0.0000   0.0000  699.598   37.938  ?   ?  0.000000 37.93795 
1 1 1   41    1    6 o  476.001   33.821 94130.67 12986.46 94130.67 12986.46   0.0000   0.0000  476.001   33.821  ?   ?  0.000000 33.82055 
1 1 1   41    1    7 o  339.528   17.353 47166.15  4767.96 45108.73  6726.33 49244.00  6759.63  330.581   25.250  345.701   24.235 -15.12015 34.99824 
1 1 1   41    1    8 o  654.130   26.791 176040.20 14229.44 193142.09 24519.27 167355.50 17472.81  675.801   44.940  634.369   34.047 41.43280 56.38057 
1 1 1   41    1    9 f  350.727   13.355 50121.84  3803.13 51541.56  5385.43 48709.48  5371.48  354.546   18.774  344.547   19.278 9.999359 26.90897 
1 1 1   41    1   10 o  235.434   9.6831 22551.24  1851.06 23832.77  2626.04 21285.69  2609.62  241.422   13.450  228.023   14.165 13.39940 19.53307 
1 1 1   41    1   11 o  212.594   10.259 18398.10  1770.97 21780.28  3232.58 16947.63  2116.93  230.087   17.432  203.483   12.879 26.60388 21.67396 
1 1 1   41    1   12 o  414.349   15.156 70164.51  5098.93 71048.82  7220.73 69284.95  7201.27  415.034   21.501  409.769   21.721 5.264069 30.56287 
1 1 1   41    1   13 o  134.924   8.2123  7435.28  895.412  7761.01  1253.90  7096.34  1279.08  137.495   11.332  131.323   12.133 6.172089 16.60195 
1 1 1   41    1   14 o  114.464   9.1631  5373.64  844.486  5683.92  1185.85  5054.38  1202.90  117.223   12.660  110.271   13.732 6.952293 18.67751 
1 1 1   41    1   15 o  333.519   12.951 45651.40  3507.34 45004.34  4974.19 46291.19  4946.19  328.733   18.713  333.581   18.332 -4.848602 26.19581 
1 1 1   41    1   16 o  269.694   11.364 29853.24  2488.45 29338.46  3523.13 30365.72  3515.27  265.319   16.435  270.078   16.103 -4.759308 23.00900 
1 1 1   41    1   17 f  210.905   10.314 18259.37  1766.30 18791.69  2485.20 17716.00  2510.85  212.360   14.500  205.933   15.122 6.427246 20.95010 
1 1 1   41    1   18 o  110.607   9.9978  5069.36  888.190  5047.19  1289.21  5089.38  1225.40  109.031   14.957  109.761   14.074 -0.7302170 20.53708 
1 1 1   41    1   19 o  200.911   10.487 16712.18  1704.79 16243.57  2394.37 17193.99  2427.84  196.012   15.162  201.819   14.921 -5.806534 21.27299 
1 1 1   41    1   20 f   40.453   15.277  530.177  685.876  689.690  1025.79  401.203  922.384   47.630   18.504   42.561   17.216 5.068577 25.27395 
1 1 1   41    1   21 o  147.180   10.849  9101.47  1287.34  8433.95  1774.55  9843.02  1870.37  138.938   16.024  150.517   15.527 -11.57942 22.31250 
1 1 1   41    1   22 o   96.041   13.581  4042.69  1029.54  4038.33  1426.01  4047.42  1487.93   92.544   19.588   92.108   20.430 0.4354248 28.30326 
1 1 1   41    1   23 o   31.743   13.851 -17.3489  673.242 -820.1076  905.081  977.014  1007.32   29.997   14.167   48.893   18.502 -18.89556 23.30260 
1 1 1   41    3    0 o  348.696   26.270 49910.17  7383.21   0.0000   0.0000 49910.17  7383.21  ?   ?   348.696   26.270 0.000000 26.27010 
1 1 1   41    3    1 o  962.779   47.388 383429.09 37045.47 427772.19 52334.13 338895.59 52446.46  1007.28   64.324  891.247   73.118 116.0283 97.38443 
1 1 1   41    3    2 o  473.855   20.026 91502.73  7705.08 97332.70  9442.08 79882.14 13330.57  488.338   23.813  439.091   37.757 49.24780 44.63921 
1 1 1   41    3    3 o  163.162   9.1589 10851.98  1208.49 11578.21  1478.10  9387.75  2098.81  168.418   10.867  150.816   17.462 17.60222 20.56721 
1 1 1   41    3    4 o  657.631   23.280 176788.50 12430.76 184164.50 17554.10 169369.20 17605.50  669.093   32.311  640.352   33.982 28.74084 46.89124 
1 1 1   41    3    5 f  545.972   22.686 121943.80 10056.76 135119.00 17247.79 115157.30 12378.80  569.825   37.487  528.540   28.955 41.28503 47.36743 
1 1 1   41    3    6 o  459.244   20.191 86200.71  7528.94 92001.90  9190.99 74367.30 13126.78  473.203   23.999  421.129   38.826 52.07382 45.64464 
1 1 1   41    3    7 o  179.031   10.020 13076.27  1450.77 15071.57  1758.46  8823.28  2567.30  192.126   11.322  145.112   22.519 47.01445 25.20487 
1 1 1   41    3    8 o  206.311   12.483 17394.32  2081.23 17394.32  2081.23   0.0000   0.0000  206.311   12.483  ?   ?  0.000000 12.48271 
1 1 1   41    3    9 o  493.435   25.397 100428.20 10140.98 108484.30 14198.68 92039.49 14488.74  509.565   34.521  467.542   38.508 42.02237 51.71604 
1 1 1   41    3   10 o  505.870   25.971 105776.20 10631.62 113185.10 14890.79 98072.38 15184.25  519.377   35.523  481.604   39.169 37.77219 52.87831 
1 1 1   41    3   11 o  237.538   9.7536 22963.99  1881.21 24379.90  2680.41 21589.51  2640.91  244.098   13.578  229.566   14.238 14.53151 19.67422 
1 1 1   41    3   12 o  499.991   20.928 102802.80  8496.27 96056.88 14948.85 106021.70 10326.26  474.418   39.157  506.339   25.117 -31.92142 46.51991 
1 1 1   41    3   13 o  406.303   14.858 67548.51  4901.64 69452.80  6964.34 65679.21  6900.03  409.886   20.996  398.424   21.407 11.46136 29.98512 
1 1 1   41    3   14 o   52.899   12.567  1190.41  531.782  1519.37  752.491  862.215  751.615   59.722   15.414   47.651   16.227 12.07110 22.38030 
1 1 1   41    3   15 f  151.229   8.9418  9366.76  1093.11 10332.11  1572.57  8464.25  1520.52  158.260   12.335  142.963   13.249 15.29700 18.10255 
1 1 1   41    3   16 o   46.224   13.765  893.361  555.164  1277.79  818.470  565.778  755.541   55.225   16.775   42.665   16.051 12.55938 23.21672 
1 1 1   41    3   17 o  139.474   9.5727  8011.00  1077.52  7428.18  1534.48  8577.95  1513.44  133.069   14.433  143.478   13.137 -10.40811 19.51651 
1 1 1   41    3   18 o   82.420   11.455  2855.41  745.901  2561.61  1084.05  3119.58  1027.92   76.436   17.799   85.150   15.436 -8.714294 23.55976 
1 1 1   41    3   19 o  152.092   10.131  9584.53  1243.97  9300.45  1750.69  9874.24  1767.92  148.158   14.749  152.838   14.416 -4.679764 20.62419 
1 1 1   41    3   20 o  124.999   10.918  6539.64  1097.00  7058.58  1517.66  5971.85  1587.48  128.332   14.838  116.841   17.252 11.49117 22.75532 
1 1 1   41    3   21 o   47.534   15.713  949.374  705.292  917.893  875.471  1007.59  1190.49   48.489   17.439   52.811   20.082 -4.321766 26.59727 
1 1 1   41    3   22 o  122.448   11.432  6412.08  1123.43  6849.33  1479.20  5816.08  1726.96  124.448   14.937  111.216   19.852 13.23187 24.84411 
1 1 1   41    5    0 o  165.668   11.178 11205.97  1494.81 13515.67  1940.08  7831.54  2344.99  181.834   13.231  136.916   21.826 44.91774 25.52354 
1 1 1   41    5    1 o  808.136   57.275 274830.69 37339.40   0.0000   0.0000 274830.69 37339.40  ?   ?   808.136   57.275 0.000000 57.27524 
1 1 1   41    5    2 o  486.066   24.512 96777.95  9642.92 100690.30 13488.14 92687.77 13791.21  493.862   33.840  473.170   36.170 20.69263 49.53222 
1 1 1   41    5    3 f  149.938   8.3516  9163.21  1012.73  8600.29  1581.85  9554.20  1318.32  144.747   13.619  152.928   10.684 -8.181091 17.30995 
1 1 1   41    5    4 o   89.620   6.6664  3280.83  481.630  3725.37  662.903  2783.80  700.944   95.351   8.6566   82.037   10.784 13.31346 13.82877 
1 1 1   41    5    5 o  209.185   9.3121 17789.73  1581.67 20834.43  2229.12 14702.61  2244.60  225.941   12.196  189.411   14.710 36.53058 19.10830 
1 1 1   41    5    6 o  125.636   7.2003  6434.93  731.458  7751.44  1049.27  5190.33  1020.22  137.751   9.4381  112.378   11.336 25.37210 14.75035 
1 1 1   41    5    7 o  276.671   11.263 31148.46  2530.26 32908.16  3589.54 29410.59  3567.21  283.649   15.646  267.992   16.473 15.65668 22.71917 
1 1 1   41    5    8 o  268.737   10.823 29387.40  2361.61 31219.77  3354.75 27587.28  3325.09  276.293   15.010  259.557   15.853 16.73520 21.83186 
1 1 1   41    5    9 o  348.741   15.105 49618.94  4277.30 50804.89  5240.64 47252.57  7402.74  351.998   18.400  337.422   27.252 14.57593 32.88231 
1 1 1   41    5   10 o  169.684   9.9649 11757.37  1366.92 12597.36  1664.15 10015.31  2396.56  175.471   11.748  155.183   19.447 20.28804 22.71990 
1 1 1   41    5   11 o  217.278   12.909 19319.23  2267.13 18629.84  3070.24 20145.87  3362.00  212.557   17.957  220.912   18.926 -8.354828 26.08922 
1 1 1   41    5   12 o  186.406   12.358 14234.26  1859.90   0.0000   0.0000 14234.26  1859.90  ?   ?   186.406   12.358 0.000000 12.35839 
1 1 1   41    5   13 o  310.450   13.802 39410.47  3479.08 44175.59  5907.58 36880.28  4304.76  326.042   22.452  299.099   17.806 26.94250 28.65553 
1 1 1   41    5   14 o  192.571   9.2427 15121.81  1445.21 15162.78  2070.76 15082.90  2017.93  191.920   13.372  191.473   13.057 0.4469757 18.68975 
1 1 1   41    5   15 o  108.407   8.9376  4830.26  779.701  5238.80  1118.77  4444.42  1087.24  112.308   12.480  103.166   13.288 9.141808 18.22952 
1 1 1   41    5   16 f  143.370   9.0010  8438.42  1042.51  9671.77  1500.43  7287.28  1449.56  152.858   12.190  132.187   13.705 20.67062 18.34172 
1 1 1   41    5   17 o  301.824   12.385 37610.89  3035.12 41215.43  4347.87 34184.89  4238.82  313.140   17.166  284.342   18.460 28.79837 25.20737 
1 1 1   41    5   18 f   66.641   13.289  1907.04  693.833  1676.64  931.184  2194.61  1040.32   62.118   17.638   70.668   18.062 -8.549641 25.24568 
1 1 1   41    5   19 o  167.550   10.151 11630.85  1374.54 10902.48  1966.28 12326.96  1922.24  160.166   15.306  171.009   13.966 -10.84325 20.71964 
1 1 1   41    5   20 o   30.054   13.094 -77.3752  599.608 -992.1281  727.565  1859.26  1058.63   25.473   12.216   64.524   18.956 -39.05132 22.55113 
1 1 1   41    5   21 o  106.515   10.981  4801.07  936.091  4616.91  1243.83  5041.63  1421.57  102.479   15.426  106.322   17.042 -3.842758 22.98728 
1 1 1   41    5   22 o  143.184   10.855  8723.86  1252.59  8759.47  1678.54  8679.11  1881.68  140.688   14.922  138.292   17.124 2.395248 22.71284 
1 1 1   41    7    0 o  183.820   17.473 13888.29  2576.54   0.0000   0.0000 13888.29  2576.54  ?   ?   183.820   17.473 0.000000 17.47274 
1 1 1   41    7    1 o  297.249   23.427 36323.76  5608.46   0.0000   0.0000 36323.76  5608.46  ?   ?   297.249   23.427 0.000000 23.42713 
1 1 1   41    7    2 o  191.281   12.581 14948.56  1943.17 16554.01  2851.04 13555.79  2655.48  200.758   17.670  181.434   18.274 19.32477 25.42012 
1 1 1   41    7    3 o  537.210   24.269 118153.60 10585.88 126203.70 12949.72 101938.80 18378.76  553.512   28.914  491.500   46.610 62.01248 54.84977 
1 1 1   41    7    4 o  881.543   28.172 319474.59 20164.84 321110.50 28489.34 317832.19 28545.53  878.288   39.949  873.635   40.241 4.653198 56.70340 
1 1 1   41    7    5 o  1084.63   37.778 489238.31 33270.84 533961.81 47047.14 444495.91 47057.01  1121.58   51.661  1016.99   57.218 104.5914 77.08968 
1 1 1   41    7    6 o  260.021   10.653 27504.92  2249.26 31557.54  3189.63 23496.18  3172.31  277.943   14.181  239.438   16.416 38.50499 21.69288 
1 1 1   41    7    7 o  369.901   14.649 55777.83  4399.70 61937.86  6241.03 49691.92  6203.37  388.634   19.844  347.551   22.097 41.08234 29.69942 
1 1 1   41    7    8 f  232.182   9.9761 21931.17  1880.73 23029.98  2312.71 19785.62  3231.70  237.514   12.031  219.249   18.321 18.26509 21.91841 
1 1 1   41    7    9 o  694.208   28.225 199202.30 15909.72 203445.50 19514.56 190791.59 27474.37  698.546   34.405  664.258   51.338 34.28766 61.80035 
1 1 1   41    7   10 o  459.117   16.780 86185.89  6255.20 87762.90  8885.20 84636.28  8807.69  461.061   23.815  452.679   24.049 8.382874 33.84547 
1 1 1   41    7   11 o  404.168   17.146 66870.59  5626.69 66195.77  6903.48 68206.02  9711.44  400.683   21.296  403.801   29.831 -3.117615 36.65210 
1 1 1   41    7   12 o  169.894   10.178 11799.90  1397.56 12766.09  1706.01  9828.53  2436.87  176.510   11.974  153.334   20.053 23.17691 23.35643 
1 1 1   41    7   13 o  352.110   18.475 51182.97  5263.62 50017.41  7273.18 52464.75  7627.19  345.223   26.141  353.327   26.785 -8.103546 37.42702 
1 1 1   41    7   14 o  227.998   11.184 21256.35  2070.47 22855.27  3419.05 20330.46  2601.77  234.406   18.104  221.979   14.515 12.42691 23.20440 
1 1 1   41    7   15 o   51.176   12.537  1118.59  516.831  1645.71  700.567  489.110  765.571   61.979   14.222   41.739   16.049 20.24047 21.44402 
1 1 1   41    7   16 o   53.132   13.194  1210.51  566.619  617.959  750.992  1993.63  863.345   43.352   16.062   67.937   15.928 -24.58425 22.62062 
1 1 1   41    7   17 o  349.161   13.829 50598.49  3920.76 52655.46  5614.41 48640.45  5477.71  351.758   19.737  337.786   20.062 13.97165 28.14296 
1 1 1   41    7   18 o  208.170   10.380 17860.82  1754.48 17878.95  2496.06 17843.12  2466.62  206.102   15.019  205.977   14.848 0.1250610 21.11928 
1 1 1   41    7   19 o  130.313   9.9977  7052.85  1049.80  5783.12  1446.66  8465.25  1525.77  115.949   15.776  141.621   13.429 -25.67228 20.71732 
1 1 1   41    7   20 o   57.452   13.459  1445.68  616.859  2122.89  774.972  274.733  1019.05   69.652   14.185   42.582   17.749 27.06974 22.72095 
1 1 1   41    7   21 o   97.386   11.959  4060.72  925.768  4613.13  1194.19  3228.71  1465.56  102.576   14.763   82.271   21.647 20.30588 26.20177 
1 1 1   41    7   22 o  149.528   10.863  9536.26  1309.86 10127.87  1766.25  8813.24  1952.59  151.306   14.556  138.353   17.794 12.95274 22.98919 
1 1 1   41    9    0 o  306.652   24.209 38728.16  5978.80   0.0000   0.0000 38728.16  5978.80  ?   ?   306.652   24.209 0.000000 24.20893 
1 1 1   41    9    1 o  223.865   19.598 20615.26  3526.43   0.0000   0.0000 20615.26  3526.43  ?   ?   223.865   19.598 0.000000 19.59778 
1 1 1   41    9    2 o  416.487   21.393 71110.53  7210.14 79482.77 10313.21 63106.29 10084.02  438.634   29.123  389.854   32.143 48.77988 43.37370 
1 1 1   41    9    3 o  320.872   17.239 42126.45  4475.03 49263.89  6452.73 35512.79  6211.46  346.056   23.097  292.911   26.400 53.14465 35.07809 
1 1 1   41    9    4 o  1107.81   43.401 514669.91 39038.93 593541.00 67812.58 475573.50 47744.18  1155.24   72.664  1052.49   56.070 102.7550 91.78191 
1 1 1   41    9    5 o  516.435   17.811 108903.80  7468.75 112367.10 10550.83 105425.20 10574.02  523.164   24.838  505.885   25.829 17.27966 35.83325 
1 1 1   41    9    6 o  417.021   16.986 70994.57  5751.74 73543.40  7061.40 65969.69  9914.78  423.905   20.516  398.337   30.896 25.56857 37.08725 
1 1 1   41    9    7 o  185.164   8.2066 13938.69  1233.84 15886.77  1745.18 11991.81  1744.64  197.273   10.938  171.121   12.646 26.15207 16.72003 
1 1 1   41    9    8 o  543.235   19.747 120848.60  8710.35 128401.70 12350.61 113374.10 12286.23  557.779   27.270  522.789   29.058 34.98999 39.85039 
1 1 1   41    9    9 o  366.282   16.938 54850.05  5037.49 55945.73  6185.36 52691.74  8681.21  368.716   20.745  355.054   30.406 13.66150 36.80828 
1 1 1   41    9   10 o  196.781   8.7741 15753.62  1401.93 15826.09  2000.77 15683.71  1964.96  196.618   12.599  195.749   12.427 0.8683472 17.69644 
1 1 1   41    9   11 o  338.213   13.349 46691.93  3665.85 48096.66  5230.02 45335.26  5139.76  341.827   18.917  331.780   19.161 10.04770 26.92539 
1 1 1   41    9   12 f  285.728   11.258 33298.13  2611.96 34814.45  3742.22 31857.73  3647.34  291.076   15.894  278.335   16.209 12.74045 22.70122 
1 1 1   41    9   13 o  169.952   10.332 11829.00  1419.06 11818.12  1733.39 11851.12  2471.04  169.500   12.687  168.553   18.352 0.9471893 22.31024 
1 1 1   41    9   14 o  466.614   20.095 90742.73  7613.31 94719.16  9360.90 82972.87 13085.11  473.248   24.444  431.114   37.761 42.13345 44.98260 
1 1 1   41    9   15 f  201.828   13.410 16860.57  2185.09 19685.33  2880.39 13031.18  3353.70  217.134   16.460  173.349   24.510 43.78503 29.52419 
1 1 1   41    9   16 o   89.553   10.023  3329.40  716.305  3088.34  1021.80  3562.34  1004.44   84.964   15.377   91.786   13.914 -6.821869 20.73774 
1 1 1   41    9   17 o  126.781   8.8025  6619.43  900.524  6176.33  1257.40  7086.02  1290.30  121.431   12.953  130.330   12.340 -8.898819 17.88986 
1 1 1   41    9   18 o   53.017   12.157  1211.55  512.171  1639.00  648.569  503.340  834.832   61.584   13.355   42.697   16.663 18.88692 21.35472 
1 1 1   41    9   19 o   58.821   12.674  1498.83  587.441  1126.44  735.320  2155.77  976.667   51.389   15.952   69.627   17.341 -18.23783 23.56248 
1 1 1   41    9   20 o   47.750   13.901  990.281  571.615  1168.46  687.028  589.491  1030.39   51.697   15.294   46.148   18.357 5.548851 23.89298 
1 1 1   41    9   21 o   86.285   11.830  3205.34  807.007  3010.30  973.726  3633.20  1442.19   82.140   15.158   87.450   20.642 -5.310196 25.61004 
1 1 1   41    9   22 o  118.294   11.083  6019.85  1052.10  6242.62  1365.27  5694.11  1650.89  118.185   14.533  109.166   19.332 9.018509 24.18588 
1 1 1   41   11    0 o  304.711   24.362 38325.02  5977.04   0.0000   0.0000 38325.02  5977.04  ?   ?   304.711   24.362 0.000000 24.36156 
1 1 1   41   11    1 o  475.398   35.037 94235.26 13429.27   0.0000   0.0000 94235.26 13429.27  ?   ?   475.398   35.037 0.000000 35.03707 
1 1 1   41   11    2 o  918.493   44.953 355059.91 33524.96 388067.41 47545.29 322421.41 47278.74  943.259   62.431  853.170   68.834 90.08844 92.92899 
1 1 1   41   11    3 o  623.987   30.802 160844.09 15606.20 171940.91 22213.91 150029.30 21929.83  638.618   43.092  594.959   45.746 43.65881 62.84551 
1 1 1   41   11    4 o  596.828   27.451 146685.30 13302.97 175737.30 19081.76 119213.00 18555.74  648.875   36.364  530.867   43.428 118.0081 56.64241 
1 1 1   41   11    5 o  699.329   27.829 201601.00 15802.19 208514.09 27660.47 198251.70 19253.42  698.694   49.068  690.775   34.327 7.918884 59.88305 
1 1 1   41   11    6 o  410.587   17.095 68860.66  5699.29 72311.27 10190.84 67290.27  6874.93  417.002   30.305  404.725   20.992 12.27740 36.86555 
1 1 1   41   11    7 o  168.159   7.8668 11496.17  1074.13 11882.80  1510.69 11100.85  1527.56  170.502   10.970  164.715   11.494 5.786072 15.88867 
1 1 1   41   11    8 o  406.733   14.655 67514.43  4839.81 69610.47  6873.56 65453.45  6815.85  411.964   20.549  398.820   21.123 13.14362 29.46912 
1 1 1   41   11    9 o   97.754   8.1034  3912.96  637.394  3888.66  752.634  3974.60  1198.61   97.272   9.6568   97.421   15.685 -0.1486664 18.41942 
1 1 1   41   11   10 o  577.250   20.410 136949.59  9566.37 136550.50 13573.52 137343.41 13484.70  572.022   29.323  573.834   29.036 -1.812012 41.26608 
1 1 1   41   11   11 o  204.824   8.8375 17077.66  1469.78 17109.09  2088.69 17046.83  2068.61  204.343   12.651  203.984   12.550 0.3581543 17.82003 
1 1 1   41   11   12 f  447.578   17.440 82382.52  6338.01 86214.04  9019.65 78645.30  8907.99  454.424   24.536  433.525   25.417 20.89893 35.32783 
1 1 1   41   11   13 f  336.122   13.154 46324.62  3590.01 46854.78  5133.66 45817.21  5022.25  335.780   18.906  332.113   18.700 3.666718 26.59216 
1 1 1   41   11   14 o  169.442   8.8014 11755.79  1206.74 11315.71  1693.05 12210.23  1720.45  165.468   12.698  171.987   12.403 -6.519348 17.75056 
1 1 1   41   11   15 o  233.190   12.284 22449.25  2317.68 24178.09  2861.00 19148.70  3953.06  241.184   14.679  210.668   23.511 30.51573 27.71715 
1 1 1   41   11   16 o  207.866   11.594 17862.03  1949.10 17969.20  2391.82 17650.20  3362.83  207.537   14.281  202.728   20.720 4.809189 25.16490 
1 1 1   41   11   17 o  228.144   11.180 21490.89  2071.12 20827.80  3272.82 21933.81  2674.85  220.795   18.424  228.778   14.474 -7.982544 23.42938 
1 1 1   41   11   18 o  193.727   10.889 15580.99  1705.83 16947.11  2579.58 14519.36  2274.01  199.542   16.057  185.022   15.273 14.52005 22.16087 
1 1 1   41   11   19 o   55.803   12.979  1357.34  576.997  740.425  687.357  2829.29  1061.73   43.932   15.489   79.845   16.904 -35.91238 22.92665 
1 1 1   41   11   20 o   28.883   11.474  198.469  402.112  266.630  450.093 -71.0683  895.040   31.303   12.230   36.556   15.960 -5.252737 20.10730 
1 1 1   41   11   21 o  106.165   10.257  4782.98  873.167  4553.27  1088.29  5198.01  1462.88  102.005   13.469  106.620   17.506 -4.614449 22.08758 
1 1 1   41   11   22 o   26.023   11.916 -313.8786  567.190 -73.4548  630.440 -1334.9449  1299.22   30.140   13.271   34.362   16.439 -4.222382 21.12668 
1 1 1   41   13    2 o  459.085   24.128 86792.60  8962.37 85105.63 12823.88 88403.30 12530.63  450.978   35.303  460.258   33.766 -9.279785 48.85063 
1 1 1   41   13    3 o  191.684   13.607 15047.93  2104.12 15337.65  3119.41 14806.07  2850.14  192.526   20.259  189.379   18.783 3.147629 27.62625 
1 1 1   41   13    4 f  253.841   11.491 26232.46  2368.42 31312.85  4461.62 24239.11  2794.70  275.841   20.058  243.418   14.201 32.42273 24.57617 
1 1 1   41   13    5 f  252.563   12.109 25980.61  2483.26 25248.76  4662.72 26270.38  2933.97  246.796   23.554  253.406   14.318 -6.610291 27.56451 
1 1 1   41   13    6 o  330.842   15.265 44679.38  4100.57 39555.89  7473.80 46885.93  4904.72  307.461   30.333  338.102   17.930 -30.64151 35.23579 
1 1 1   41   13    7 o  186.773   9.9006 14236.69  1496.10 15923.34  2981.26 13668.95  1729.66  196.279   18.942  182.805   11.715 13.47331 22.27139 
1 1 1   41   13    8 o  362.991   15.615 53847.06  4602.29 52707.86  8445.45 54328.25  5488.90  354.991   29.569  363.636   18.653 -8.645020 34.96060 
1 1 1   41   13    9 o  357.930   14.940 52357.03  4341.99 52705.05  5311.96 51656.36  7537.25  358.068   18.332  352.096   26.560 5.971649 32.27190 
1 1 1   41   13   10 o  462.524   16.036 87599.48  6022.28 87743.73  8564.04 87458.37  8470.32  460.869   22.886  460.194   22.668 0.6750793 32.21195 
1 1 1   41   13   11 o   96.757   7.3387  3830.84  572.258  3527.61  737.874  4288.51  906.494   92.497   9.9828  101.926   11.134 -9.428185 14.95431 
1 1 1   41   13   12 o  196.949   8.4494 15807.07  1351.19 15133.96  1894.54 16503.88  1927.62  191.937   12.220  200.529   11.892 -8.592331 17.05124 
1 1 1   41   13   13 o  184.818   8.4020 13936.21  1260.85 13316.03  1759.66 14590.60  1807.54  179.785   12.125  188.281   11.884 -8.496231 16.97806 
1 1 1   41   13   14 o  147.102   9.4081  8888.86  1117.84 12093.52  1580.89  5684.39  1580.84  171.240   11.436  115.623   17.376 55.61687 20.80150 
1 1 1   41   13   15 o  142.604   8.1312  8340.15  937.608  7324.32  1308.68  9411.50  1343.98  132.723   12.283  150.898   11.046 -18.17496 16.51911 
1 1 1   41   13   16 o  278.176   10.853 31882.57  2451.45 32235.61  3557.78 31563.44  3382.61  276.996   15.885  274.451   15.239 2.544647 22.01278 
1 1 1   41   13   17 o   17.344   8.1307 -293.9989  288.546 -103.1927  297.348 -3374.2959  1194.72   20.341   9.0267   26.011   13.047 -5.670200 15.86526 
1 1 1   41   13   18 o  118.827   10.289  5884.92  982.927  5805.61  1112.25  6167.72  2100.27  117.538   11.814  116.113   23.090 1.425194 25.93671 
1 1 1   41   13   19 o   25.282   10.393   93.365  342.770   14.640  372.694  525.388  873.071   24.829   10.562   43.121   16.978 -18.29193 19.99503 
1 1 1   41   13   20 o  108.902   9.5672  4981.19  837.398  4131.63  1052.00  6450.44  1383.47   97.406   13.678  121.721   14.269 -24.31504 19.76578 
1 1 1   41   13   21 o   68.197   11.378  2029.81  607.859  1954.23  675.219  2352.93  1396.11   66.217   13.023   68.879   22.062 -2.661758 25.61837 
1 1 1   41   15    0 o  218.952   20.841 19825.18  3660.39   0.0000   0.0000 19825.18  3660.39  ?   ?   218.952   20.841 0.000000 20.84066 
1 1 1   41   15    1 o  592.100   30.601 145680.59 14661.46   0.0000   0.0000 145680.59 14661.46  ?   ?   592.100   30.601 0.000000 30.60062 
1 1 1   41   15    2 o  781.308   34.239 254401.20 21720.82 223986.00 38071.08 269079.50 26447.71  705.296   67.296  798.191   40.946 -92.89441 78.77338 
1 1 1   41   15    3 o   85.869   8.6863  3029.26  597.299  2932.08  1463.45  3048.69  654.274   83.005   21.531   86.043   9.5247 -3.038742 23.54353 
1 1 1   41   15    4 o  304.918   13.583 37912.80  3362.98 38519.20  6250.68 37665.77  3989.61  304.648   25.504  303.207   16.264 1.440338 30.24858 
1 1 1   41   15    5 o  409.323   16.563 68487.55  5504.71 74346.66  9978.58 65924.51  6599.79  422.484   29.269  400.392   20.368 22.09183 35.65813 
1 1 1   41   15    6 o  471.487   19.891 91195.78  7614.81 84060.73 13630.26 94433.12  9181.21  445.124   38.079  478.766   23.618 -33.64139 44.80855 
1 1 1   41   15    7 o  468.202   19.034 89910.88  7236.13 96287.25 13025.71 87064.71  8702.51  478.260   33.760  458.963   23.430 19.29764 41.09366 
1 1 1   41   15    8 o  627.119   25.180 162769.00 12821.43 169833.41 22757.23 159483.80 15518.85  626.259   45.055  616.979   31.078 9.279968 54.73323 
1 1 1   41   15    9 o  261.720   16.338 28168.74  3454.59 29701.55  5232.85 26984.62  4599.30  266.722   24.434  254.683   22.471 12.03818 33.19614 
1 1 1   41   15   10 o  570.479   23.304 135029.00 10794.86 142341.91 19346.81 131723.09 13007.99  570.849   42.036  559.683   28.721 11.16571 50.91035 
1 1 1   41   15   11 o  393.150   16.947 63680.61  5409.99 69131.55 10066.25 61466.70  6415.23  401.731   31.102  384.392   20.630 17.33881 37.32191 
1 1 1   41   15   12 o  197.928   11.504 16099.38  1840.86 14941.32  3965.85 16417.42  2078.33  185.642   27.109  199.574   12.894 -13.93279 30.01974 
1 1 1   41   15   13 o  209.732   9.2188 17986.91  1569.93 19339.30  2227.42 16651.90  2213.06  216.414   12.732  200.497   13.676 15.91693 18.68495 
1 1 1   41   15   14 o  279.254   12.064 32126.37  2735.43 35755.19  3959.77 28813.92  3783.22  292.198   16.760  261.634   17.916 30.56436 24.53356 
1 1 1   41   15   15 o  229.460   10.326 21649.37  1923.80 22137.71  2773.05 21196.27  2671.14  230.010   14.929  225.153   14.692 4.857574 20.94544 
1 1 1   41   15   16 o  113.769   8.7780  5342.78  804.607  6131.79  1025.13  4076.89  1298.49  121.519   10.493   96.943   17.122 24.57514 20.08143 
1 1 1   41   15   17 o  123.984   8.8012  6353.76  880.268  6288.78  1118.45  6459.53  1426.93  122.626   11.362  123.173   14.548 -0.5468445 18.45953 
1 1 1   41   15   18 o   39.290   11.459  657.188  388.111  549.059  422.123  1248.22  986.899   36.902   12.154   54.790   18.594 -17.88861 22.21400 
1 1 1   41   15   19 o   20.111   8.8930 -84.1121  286.118 -103.4441  290.315  569.981  1688.69   19.963   8.8860   53.852   22.674 -33.88948 24.35277 
1 1 1   41   15   20 o   76.701   10.687  2524.47  647.504  2478.89  678.721  2986.02  2159.87   75.726   11.391   76.397   27.400 -0.6706619 29.67356 
1 1 1   41   15   21 o   50.543   11.486  1139.09  460.684  1208.14  491.578  640.966  1320.32   51.942   11.910   48.202   20.157 3.740776 23.41221 
1 1 1   41   17    0 f  284.378   16.420 33169.57  3775.25   0.0000   0.0000 33169.57  3775.25  ?   ?   284.378   16.420 0.000000 16.41959 
1 1 1   41   17    1 o  270.010   16.011 29897.16  3494.49   0.0000   0.0000 29897.16  3494.49  ?   ?   270.010   16.011 0.000000 16.01060 
1 1 1   41   17    2 o  444.611   16.400 80818.00  5920.40   0.0000   0.0000 80818.00  5920.40  ?   ?   444.611   16.400 0.000000 16.39958 
1 1 1   41   17    3 o  318.685   13.595 41435.13  3517.84 35602.52  7470.33 43097.09  3987.66  290.508   32.212  324.825   15.119 -34.31644 35.58368 
1 1 1   41   17    4 o  583.277   21.634 139904.20 10245.85 136952.20 20835.54 140845.70 11766.86  563.068   45.974  584.063   24.812 -20.99432 52.24215 
1 1 1   41   17    5 o  422.145   18.365 73052.63  6295.07 69363.35 11452.67 74649.80  7535.49  404.812   35.193  425.335   21.894 -20.52243 41.44740 
1 1 1   41   17    6 o   94.315   9.4896  3657.57  716.853  5984.09  1884.59  3264.02  775.118  119.077   20.215   88.834   10.980 30.24288 23.00396 
1 1 1   41   17    7 o  245.286   11.919 24539.62  2373.84 29141.06  4742.29 23001.16  2742.11  264.890   22.255  236.805   14.329 28.08484 26.46876 
1 1 1   41   17    8 f   40.500   16.092  352.118  791.054  1349.81  1690.45   72.384  895.108   64.729   24.076   39.200   16.506 25.52915 29.19072 
1 1 1   41   17    9 o  373.873   16.454 57404.04  4995.08 56760.96  9377.61 57658.78  5902.06  364.826   31.980  373.345   19.537 -8.518646 37.47540 
1 1 1   41   17   10 o  397.375   17.793 65191.25  5740.89 59803.26 10742.21 67345.34  6792.21  369.650   36.257  402.130   20.874 -32.47992 41.83636 
1 1 1   41   17   11 o  125.493   11.379  6501.62  1146.86  7966.11  3303.82  6300.97  1222.91  133.310   31.093  123.337   12.378 9.972710 33.46621 
1 1 1   41   17   12 o  111.417   11.518  5148.72  1026.99  6383.90  2930.78  4975.82  1096.51  118.666   30.309  109.285   12.587 9.380806 32.81849 
1 1 1   41   17   13 o  213.072   12.677 18791.05  2183.40 17550.27  5148.27 19063.17  2410.96  195.214   33.698  214.191   13.939 -18.97656 36.46661 
1 1 1   41   17   14 o   49.821   16.697  988.138  795.700  2712.99  2651.31  817.404  834.151   82.633   30.254   47.473   17.028 35.15991 34.71669 
1 1 1   41   17   15 o   50.191   17.484  972.179  874.328  2046.94  3781.20  911.468  898.683   83.897   34.507   49.524   17.683 34.37329 38.77413 
1 1 1   41   17   16 o   39.727   16.292  271.498  839.775 -615.5047  4239.72  307.719  856.749   73.454   33.220   40.481   16.511 32.97268 37.09701 
1 1 1   41   17   17 o   78.064   18.396  2733.98  1146.95  3980.23  4974.69  2664.01  1178.71   95.625   39.483   76.882   18.993 18.74291 43.81351 
1 1 1   41   17   18 o  104.786   8.8962  4574.70  749.759  4535.39  913.592  4655.79  1312.14  103.632   11.027  102.802   16.260 0.8296661 19.64654 
1 1 1   41   17   19 o   86.182   9.3198  3130.58  641.783  2911.85  719.532  3981.78  1419.42   82.486   11.019   92.304   19.547 -9.818314 22.43902 
1 1 1   41   17   20 o   53.128   11.845  1254.46  497.947  1323.79  508.128 -423.7188  2500.05   54.618   11.802   53.631   24.726 0.9868813 27.39834 
1 1 1   41   19    0 o   59.497   14.623  1503.82  701.425   0.0000   0.0000  1503.82  701.425  ?   ?    59.497   14.623 0.000000 14.62319 
1 1 1   41   19    1 o  198.921   14.293 16246.17  2293.23   0.0000   0.0000 16246.17  2293.23  ?   ?   198.921   14.293 0.000000 14.29333 
1 1 1   41   19    2 o  339.272   14.786 47044.38  4073.13   0.0000   0.0000 47044.38  4073.13  ?   ?   339.272   14.786 0.000000 14.78570 
1 1 1   41   19    3 o  334.803   14.750 45818.01  4009.67 41855.01  8585.52 46923.52  4534.57  313.718   34.262  338.531   16.497 -24.81296 38.02636 
1 1 1   41   19    4 o  500.137   18.264 102646.90  7416.99 109270.50 15314.78 100617.30  8477.52  506.196   37.528  494.278   21.123 11.91745 43.06457 
1 1 1   41   19    5 o  398.935   15.309 65124.33  4958.87 70737.39 10350.74 63452.23  5649.40  409.576   31.363  393.261   17.692 16.31442 36.00869 
1 1 1   41   19    6 f  206.262   11.480 17408.02  1915.06 16975.78  4073.10 17530.69  2169.86  200.607   25.589  206.765   12.991 -6.157776 28.69721 
1 1 1   41   19    7 o  180.364   11.279 13326.44  1643.54 11715.41  3490.68 13785.31  1862.95  165.524   26.896  183.255   12.597 -17.73161 29.69936 
1 1 1   41   19    8 o  475.449   26.485 95096.43 10183.89 90435.98 14873.00 99210.19 13973.46  452.907   40.885  478.509   36.233 -25.60208 54.62967 
1 1 1   41   19    9 o   76.479   12.701  2459.29  761.014  2817.76  2265.96  2413.72  807.942   83.561   28.176   75.564   13.672 7.997215 31.31743 
1 1 1   41   19   10 o  109.179   11.657  4940.98  1017.38 -113.7625  3374.78  5446.29  1067.02   71.654   31.142  114.691   11.618 -43.03666 33.23874 
1 1 1   41   19   11 o  233.373   12.631 22483.50  2384.59 28065.55  5567.75 21229.59  2638.86  253.460   27.495  226.176   14.445 27.28441 31.05830 
1 1 1   41   19   12 o  256.814   13.971 27386.00  2902.38 23508.90  6512.77 28346.80  3242.12  223.565   37.184  260.681   15.386 -37.11543 40.24099 
1 1 1   41   19   13 o   28.077   12.245 -92.7243  525.607 -1708.3380  3274.30 -49.9916  532.513   61.954   28.465   28.826   12.449 33.12850 31.06832 
1 1 1   41   19   14 o  236.604   13.239 23342.07  2533.22 30837.30  6313.24 21903.72  2765.62  258.266   30.707  228.324   15.001 29.94160 34.17572 
1 1 1   41   19   15 o  123.253   13.004  6399.15  1281.75 14625.64  4085.59  5501.09  1349.90  176.344   29.581  113.487   15.018 62.85674 33.17518 
1 1 1   41   19   16 o   60.278   18.968  1580.01  1035.64  2441.57  4576.23  1533.50  1063.23   87.147   37.040   59.682   19.267 27.46414 41.75133 
1 1 1   41   19   17 o   46.106   18.750  495.820  1100.71  3641.45  5457.56  362.439  1123.81   92.585   39.920   45.045   18.696 47.53962 44.08100 
1 1 1   41   19   18 o  130.187   16.159  7494.96  1671.40   0.0000   0.0000  7494.96  1671.40  ?   ?   130.187   16.159 0.000000 16.15900 
1 1 1   41   19   19 o   28.732   13.908 -1424.5920  996.241   0.0000   0.0000 -1424.5920  996.241  ?   ?    28.732   13.908 0.000000 13.90784 
1 1 1   41   21    0 o  576.571   30.509 139875.00 14232.09   0.0000   0.0000 139875.00 14232.09  ?   ?   576.571   30.509 0.000000 30.50885 
1 1 1   41   21    1 o  392.918   22.052 63971.55  7006.81   0.0000   0.0000 63971.55  7006.81  ?   ?   392.918   22.052 0.000000 22.05156 
1 1 1   41   21    2 o  167.783   14.639 11604.07  1974.38   0.0000   0.0000 11604.07  1974.38  ?   ?   167.783   14.639 0.000000 14.63924 
1 1 1   41   21    3 o   76.728   8.3311  2424.43  510.696  1171.95  2097.47  2503.36  526.542   67.402   26.383   77.966   8.4529 -10.56335 27.70392 
1 1 1   41   21    4 o  233.019   12.600 22246.84  2375.05 20542.00  5496.86 22638.17  2633.57  218.547   31.918  234.839   13.873 -16.29224 34.80220 
1 1 1   41   21    5 o  308.887   12.228 38984.88  3066.83 47305.14  6810.38 36868.47  3434.80  335.938   25.150  300.069   14.097 35.86899 28.83151 
1 1 1   41   21    6 o  341.768   14.881 47929.82  4129.51 53451.57  8094.32 45986.94  4801.35  355.023   28.315  333.559   17.792 21.46368 33.44068 
1 1 1   41   21    7 o  270.904   18.553 30511.86  4056.40 29951.66  6262.58 30916.75  5324.22  263.625   29.779  270.373   24.519 -6.747528 38.57413 
1 1 1   41   21    8 o  421.023   18.026 73563.08  6162.32 83828.27 11746.71 69665.40  7238.29  437.106   33.349  407.039   21.982 30.06686 39.94213 
1 1 1   41   21    9 o  551.386   22.560 128534.20 10100.22 156572.30 18668.75 116930.90 12009.66  584.066   39.599  519.058   28.606 65.00775 48.85092 
1 1 1   41   21   10 o  295.599   15.406 36361.54  3684.85 34765.01  7837.97 36814.51  4175.00  274.821   35.990  296.439   17.422 -21.61731 39.98484 
1 1 1   41   21   11 o  142.489   11.669  8416.94  1338.24  7781.52  3894.55  8502.01  1425.01  127.546   36.021  143.023   12.393 -15.47750 38.09379 
1 1 1   41   21   12 o   61.021   15.623  1615.38  777.402  2259.25  3918.77  1589.00  793.166   86.712   35.334   60.530   15.924 26.18228 38.75655 
1 1 1   41   21   13 o  266.470   14.348 29742.48  3093.02 33285.16  7480.65 29011.95  3396.99  262.125   36.105  262.170   16.035 -0.4428101E-01 39.50592 
1 1 1   41   21   14 o  119.882   13.819  6087.83  1320.55  7422.32  4388.88  5954.99  1384.72  119.088   39.189  118.216   14.747 0.8723602 41.87219 
1 1 1   41   21   15 o  123.591   13.802  6498.22  1361.44  8196.03  5634.97  6392.97  1403.01  119.032   44.019  122.333   14.400 -3.301399 46.31474 
1 1 1   41   21   16 o   67.122   19.354  2043.54  1112.82  2443.32  4649.43  2019.25  1146.14   85.094   36.768   66.743   19.756 18.35071 41.73915 
1 1 1   41   21   17 o   81.614   20.765  3145.05  1379.35   0.0000   0.0000  3145.05  1379.35  ?   ?    81.614   20.765 0.000000 20.76457 
1 1 1   41   21   18 o  113.673   17.115  5891.98  1530.70   0.0000   0.0000  5891.98  1530.70  ?   ?   113.673   17.115 0.000000 17.11490 
1 1 1   41   21   19 o   90.683   19.966  4065.34  1430.35   0.0000   0.0000  4065.34  1430.35  ?   ?    90.683   19.966 0.000000 19.96613 
1 1 1   41   23    0 o  121.201   15.277  6120.40  1470.05   0.0000   0.0000  6120.40  1470.05  ?   ?   121.201   15.277 0.000000 15.27721 
1 1 1   41   23    1 o  180.686   15.818 13508.61  2297.27   0.0000   0.0000 13508.61  2297.27  ?   ?   180.686   15.818 0.000000 15.81780 
1 1 1   41   23    2 o  191.305   15.875 15138.94  2443.69   0.0000   0.0000 15138.94  2443.69  ?   ?   191.305   15.875 0.000000 15.87533 
1 1 1   41   23    3 o  187.551   12.870 14468.02  1948.12   0.0000   0.0000 14468.02  1948.12  ?   ?   187.551   12.870 0.000000 12.87046 
1 1 1   41   23    4 o  259.458   10.998 27515.49  2316.87 32817.52  5656.66 26446.74  2539.67  278.342   25.305  254.154   12.307 24.18825 28.13928 
1 1 1   41   23    5 o  432.276   20.539 77881.36  7209.10 92332.28 12836.67 71223.84  8712.87  458.761   34.718  409.241   26.361 49.52023 43.59178 
1 1 1   41   23    6 o   52.911   19.392  953.659  1089.68  408.701  2998.55  1036.58  1169.64   70.720   30.018   54.930   20.097 15.78901 36.12423 
1 1 1   41   23    7 o   85.269   11.445  3035.17  772.417  9297.27  3053.27  2607.00  798.388  145.114   26.904   78.599   12.962 66.51440 29.86337 
1 1 1   41   23    8 o  138.440   11.010  7917.03  1227.37 12889.55  4331.43  7482.90  1279.83  167.631   32.998  134.382   11.851 33.24948 35.06110 
1 1 1   41   23    9 f   71.166   14.391  2172.37  802.994  4078.66  3858.10  2086.05  820.972   99.060   36.461   69.597   14.972 29.46288 39.41538 
1 1 1   41   23   10 f   47.881   16.157  903.434  745.159 -1399.0690  3897.79  990.777  759.161   69.374   31.563   49.540   16.299 19.83400 35.52270 
1 1 1   41   23   11 o  200.957   13.201 16838.78  2142.05 16216.69  5997.71 16929.73  2293.30  177.405   42.243  201.118   14.133 -23.71265 44.54490 
1 1 1   41   23   12 o  125.716   13.416  6656.42  1348.33 12823.83  4478.67  6041.73  1413.93  161.343   35.179  119.190   14.938 42.15271 38.21902 
1 1 1   41   23   13 o   53.124   17.592  1166.89  883.910  3216.63  4211.69  1072.45  904.043   90.874   36.777   51.782   17.793 39.09260 40.85546 
1 1 1   41   23   14 o   53.598   17.953  1194.74  919.940  4766.32  5557.13  1094.10  932.810  100.607   41.650   52.141   18.065 48.46581 45.39927 
1 1 1   41   23   15 o   64.175   18.896  1857.34  1050.89  9713.84  6132.50  1619.65  1066.67  121.008   45.684   60.527   19.273 60.48027 49.58290 
1 1 1   41   23   16 o   54.644   20.789  1124.72  1276.14   0.0000   0.0000  1124.72  1276.14  ?   ?    54.644   20.789 0.000000 20.78925 
1 1 1   41   23   17 o   52.738   19.648  1132.82  1126.75   0.0000   0.0000  1132.82  1126.75  ?   ?    52.738   19.648 0.000000 19.64787 
1 1 1   41   23   18 o   58.460   21.336  1607.40  1317.08   0.0000   0.0000  1607.40  1317.08  ?   ?    58.460   21.336 0.000000 21.33565 
1 1 1   41   25    0 o  105.761   17.795  4759.27  1473.87   0.0000   0.0000  4759.27  1473.87  ?   ?   105.761   17.795 0.000000 17.79488 
1 1 1   41   25    1 o  412.304   24.165 72096.80  8054.64   0.0000   0.0000 72096.80  8054.64  ?   ?   412.304   24.165 0.000000 24.16521 
1 1 1   41   25    2 o  370.533   22.587 58037.88  6763.08   0.0000   0.0000 58037.88  6763.08  ?   ?   370.533   22.587 0.000000 22.58699 
1 1 1   41   25    3 o  190.355   17.577 15186.62  2686.11   0.0000   0.0000 15186.62  2686.11  ?   ?   190.355   17.577 0.000000 17.57734 
1 1 1   41   25    4 o  102.200   8.8706  4300.26  728.814  5879.74  3868.01  4242.12  742.106  113.869   36.748  101.464   9.1046 12.40414 37.85896 
1 1 1   41   25    5 o   66.872   10.431  1876.06  547.875   0.0000   0.0000  1876.06  547.875  ?   ?    66.872   10.431 0.000000 10.43058 
1 1 1   41   25    6 o  249.977   11.299 25694.86  2293.42 40482.25  6045.67 23209.16  2478.69  305.841   24.552  236.778   12.942 69.06372 27.75403 
1 1 1   41   25    7 o  173.325   10.561 12388.64  1479.18 17346.69  4986.19 11910.20  1548.91  193.824   32.856  169.740   11.303 24.08403 34.74608 
1 1 1   41   25    8 o  101.320   11.992  4294.90  967.397  7682.74  4581.63  4136.81  989.711  124.688   39.969   99.272   12.559 25.41573 41.89557 
1 1 1   41   25    9 o  237.590   13.439 23528.96  2581.93 30821.71  7047.99 22398.56  2774.83  254.593   35.021  231.124   14.865 23.46867 38.04560 
1 1 1   41   25   10 o  224.943   14.041 21204.36  2551.67 26155.23  7149.82 20481.74  2731.55  227.221   40.225  220.389   15.360 6.832214 43.05830 
1 1 1   41   25   11 o  144.786   12.945  8804.97  1505.77 20427.40  5970.69  8015.57  1556.06  200.520   38.064  137.654   14.122 62.86543 40.59904 
1 1 1   41   25   12 o  177.753   13.277 13308.76  1902.40 16583.82  6126.54 12959.28  2001.32  171.081   43.889  174.933   14.213 -3.851669 46.13282 
1 1 1   41   25   13 f   36.583   16.130 -178.0713  934.443 -5051.8521  4783.04   15.333  952.804   62.789   30.413   38.787   16.702 24.00185 34.69695 
1 1 1   41   25   14 o   59.788   19.176  1582.37  1054.50  6663.42  6825.88  1458.15  1067.31  104.745   44.895   57.982   19.338 46.76322 48.88260 
1 1 1   41   25   15 o   64.096   20.501  1896.07  1205.94   0.0000   0.0000  1896.07  1205.94  ?   ?    64.096   20.501 0.000000 20.50133 
1 1 1   41   25   16 o   66.935   21.024  2167.68  1272.92   0.0000   0.0000  2167.68  1272.92  ?   ?    66.935   21.024 0.000000 21.02357 
1 1 1   41   25   17 o  107.056   18.479  5479.85  1548.29   0.0000   0.0000  5479.85  1548.29  ?   ?   107.056   18.479 0.000000 18.47943 
1 1 1   41   27    0 o  253.241   19.315 27194.93  3941.60   0.0000   0.0000 27194.93  3941.60  ?   ?   253.241   19.315 0.000000 19.31470 
1 1 1   41   27    1 o  222.776   18.458 21001.07  3308.65   0.0000   0.0000 21001.07  3308.65  ?   ?   222.776   18.458 0.000000 18.45758 
1 1 1   41   27    2 f   97.075   19.927  4120.47  1518.07   0.0000   0.0000  4120.47  1518.07  ?   ?    97.075   19.927 0.000000 19.92711 
1 1 1   41   27    3 o  421.456   26.927 78170.91  9166.36   0.0000   0.0000 78170.91  9166.36  ?   ?   421.456   26.927 0.000000 26.92653 
1 1 1   41   27    4 o  437.769   19.252 81146.95  6843.29   0.0000   0.0000 81146.95  6843.29  ?   ?   437.769   19.252 0.000000 19.25228 
1 1 1   41   27    5 o   71.465   9.8637  2136.13  557.107  4467.48  4347.90  2097.21  561.737  102.137   38.489   70.758   10.061 31.37889 39.78176 
1 1 1   41   27    6 o  186.896   12.603 14534.32  1901.36  6802.32  6281.88 15314.10  1994.94  118.888   45.901  191.760   12.887 -72.87194 47.67579 
1 1 1   41   27    7 o  158.107   11.411 10382.85  1455.06 14950.89  5088.50  9976.08  1518.46  173.784   37.185  154.717   12.186 19.06711 39.13087 
1 1 1   41   27    8 f   61.483   14.424  1643.14  707.677 -967.5396  4825.20  1700.53  715.413   77.075   35.086   62.564   14.384 14.51107 37.92004 
1 1 1   41   27    9 o   19.568   9.7220 -1446.9460  597.515  3526.08  4419.69 -1539.5320  603.051   93.838   37.780   19.296   9.6160 74.54277 38.98503 
1 1 1   41   27   10 o   55.608   17.672  1319.03  897.193 -2657.2981  6024.65  1409.21  907.310   78.170   36.805   57.149   17.717 21.02050 40.84760 
1 1 1   41   27   11 o  159.351   13.655 10769.30  1749.77  9514.57  6542.04 10865.97  1815.93  123.030   47.007  159.826   14.139 -36.79678 49.08756 
1 1 1   41   27   12 o   68.141   18.569  2105.17  1055.39  6443.51  5838.22  1958.61  1073.07  105.496   43.074   65.803   19.014 39.69334 47.08413 
1 1 1   41   27   13 o   60.247   20.753  1584.24  1230.25   0.0000   0.0000  1584.24  1230.25  ?   ?    60.247   20.753 0.000000 20.75327 
1 1 1   41   27   14 o  208.220   16.307 19215.22  2734.91   0.0000   0.0000 19215.22  2734.91  ?   ?   208.220   16.307 0.000000 16.30666 
1 1 1   41   27   15 o  183.079   16.169 15105.94  2378.94   0.0000   0.0000 15105.94  2378.94  ?   ?   183.079   16.169 0.000000 16.16934 
1 1 1   41   27   16 o   81.164   22.757  3487.31  1560.28   0.0000   0.0000  3487.31  1560.28  ?   ?    81.164   22.757 0.000000 22.75710 
1 1 1   41   29    0 o  284.394   21.211 35074.07  4862.85   0.0000   0.0000 35074.07  4862.85  ?   ?   284.394   21.211 0.000000 21.21131 
1 1 1   41   29    1 o  201.629   19.754 17548.16  3192.50   0.0000   0.0000 17548.16  3192.50  ?   ?   201.629   19.754 0.000000 19.75401 
1 1 1   41   29    2 o  105.008   24.169  5014.40  2017.98   0.0000   0.0000  5014.40  2017.98  ?   ?   105.008   24.169 0.000000 24.16881 
1 1 1   41   29    3 o  181.953   22.299 14575.84  3225.46   0.0000   0.0000 14575.84  3225.46  ?   ?   181.953   22.299 0.000000 22.29876 
1 1 1   41   29    4 o   94.184   9.9805  3694.28  751.628   0.0000   0.0000  3694.28  751.628  ?   ?    94.184   9.9805 0.000000 9.980526 
1 1 1   41   29    5 o  140.724   10.461  8220.60  1186.71 16005.89  6235.87  7928.06  1208.80  170.537   44.546  138.062   10.871 32.47487 45.85363 
1 1 1   41   29    6 o  213.894   12.132 19083.29  2098.29 25199.47  7585.88 18576.56  2183.49  214.154   45.053  210.698   12.824 3.455978 46.84252 
1 1 1   41   29    7 o   93.021   11.735  3650.66  866.646  4712.16  5956.85  3627.71  875.966  103.215   42.958   92.669   11.918 10.54653 44.58083 
1 1 1   41   29    8 o   97.194   13.355  4031.51  1026.10 13551.39  6419.98  3781.95  1039.46  148.117   47.295   93.837   14.077 54.28024 49.34554 
1 1 1   41   29    9 o   49.691   16.345  1030.49  763.510 -12662.1396  6342.45  1231.84  769.104   60.875   30.466   53.319   16.275 7.555546 34.54104 
1 1 1   41   29   10 o   65.091   16.767  1899.63  891.617  9924.96  6427.53  1742.17  900.321  121.481   46.552   62.347   17.217 59.13401 49.63340 
1 1 1   41   29   11 o  134.477   14.284  7810.48  1535.75   0.0000   0.0000  7810.48  1535.75  ?   ?   134.477   14.284 0.000000 14.28358 
1 1 1   41   29   12 o  140.297   15.582  8668.61  1745.03   0.0000   0.0000  8668.61  1745.03  ?   ?   140.297   15.582 0.000000 15.58162 
1 1 1   41   29   13 o   65.467   21.669  2054.16  1341.11   0.0000   0.0000  2054.16  1341.11  ?   ?    65.467   21.669 0.000000 21.66908 
1 1 1   41   29   14 o   84.501   20.643  3551.01  1404.27   0.0000   0.0000  3551.01  1404.27  ?   ?    84.501   20.643 0.000000 20.64342 
1 1 1   41   31    0 o  234.250   36.081 27805.47  6642.35   0.0000   0.0000 27805.47  6642.35  ?   ?   234.250   36.081 0.000000 36.08054 
1 1 1   41   31    1 o  213.356   39.393 23957.75  6572.94   0.0000   0.0000 23957.75  6572.94  ?   ?   213.356   39.393 0.000000 39.39280 
1 1 1   41   31    2 o  101.475   37.007  5149.10  3961.42   0.0000   0.0000  5149.10  3961.42  ?   ?   101.475   37.007 0.000000 37.00700 
1 1 1   41   31    3 o  128.792   38.389  8971.36  4316.53   0.0000   0.0000  8971.36  4316.53  ?   ?   128.792   38.389 0.000000 38.38942 
1 1 1   41   31    4 o  100.529   33.802  5098.48  3261.10   0.0000   0.0000  5098.48  3261.10  ?   ?   100.529   33.802 0.000000 33.80162 
1 1 1   41   31    5 o  155.011   12.594 10129.31  1571.40   0.0000   0.0000 10129.31  1571.40  ?   ?   155.011   12.594 0.000000 12.59382 
1 1 1   41   31    6 o  220.756   13.689 20652.20  2441.58 29792.31  9617.34 20022.52  2524.28  204.590   56.179  216.859   14.418 -12.26859 57.99921 
1 1 1   41   31    7 o  204.578   13.513 17774.10  2232.06 21940.26  9350.14 17522.33  2298.51  163.197   57.157  202.761   14.048 -39.56473 58.85760 
1 1 1   41   31    8 o  247.130   14.343 26149.52  2865.67 39090.62 10656.32 25140.72  2975.26  225.916   57.843  241.490   15.252 -15.57428 59.82048 
1 1 1   41   31    9 o  124.079   13.602  6637.32  1347.89   0.0000   0.0000  6637.32  1347.89  ?   ?   124.079   13.602 0.000000 13.60176 
1 1 1   41   31   10 o   55.818   17.431  1400.69  876.469   0.0000   0.0000  1400.69  876.469  ?   ?    55.818   17.431 0.000000 17.43104 
1 1 1   41   31   11 o   94.813   17.088  4121.82  1267.11   0.0000   0.0000  4121.82  1267.11  ?   ?    94.813   17.088 0.000000 17.08767 
1 1 1   41   31   12 o   36.346   16.064 -85.0099  932.333   0.0000   0.0000 -85.0099  932.333  ?   ?    36.346   16.064 0.000000 16.06370 
1 1 1   41   31   13 o   32.407   15.695 -1629.7889  1272.63   0.0000   0.0000 -1629.7889  1272.63  ?   ?    32.407   15.695 0.000000 15.69456 
1 1 1   41   33    0 o  142.823   25.910  9795.65  2894.04   0.0000   0.0000  9795.65  2894.04  ?   ?   142.823   25.910 0.000000 25.90979 
1 1 1   41   33    1 o  228.179   24.923 24477.58  4542.42   0.0000   0.0000 24477.58  4542.42  ?   ?   228.179   24.923 0.000000 24.92262 
1 1 1   41   33    2 o  171.562   26.267 14121.34  3542.55   0.0000   0.0000 14121.34  3542.55  ?   ?   171.562   26.267 0.000000 26.26682 
1 1 1   41   33    3 o  225.434   26.594 24437.44  4774.17   0.0000   0.0000 24437.44  4774.17  ?   ?   225.434   26.594 0.000000 26.59384 
1 1 1   41   33    4 o  204.313   27.092 20315.43  4383.53   0.0000   0.0000 20315.43  4383.53  ?   ?   204.313   27.092 0.000000 27.09157 
1 1 1   41   33    5 o   61.325   10.636  1614.72  510.429   0.0000   0.0000  1614.72  510.429  ?   ?    61.325   10.636 0.000000 10.63642 
1 1 1   41   33    6 o   67.782   10.926  1973.07  580.883   0.0000   0.0000  1973.07  580.883  ?   ?    67.782   10.926 0.000000 10.92595 
1 1 1   41   33    7 o  112.369   11.620  5393.01  1044.88   0.0000   0.0000  5393.01  1044.88  ?   ?   112.369   11.620 0.000000 11.61991 
1 1 1   41   33    8 o   40.663   14.123  667.944  570.325   0.0000   0.0000  667.944  570.325  ?   ?    40.663   14.123 0.000000 14.12325 
1 1 1   41   33    9 o   44.384   16.000  793.607  737.361   0.0000   0.0000  793.607  737.361  ?   ?    44.384   16.000 0.000000 15.99961 
1 1 1   41   33   10 o   50.625   17.429  1146.08  867.622   0.0000   0.0000  1146.08  867.622  ?   ?    50.625   17.429 0.000000 17.42890 
1 1 1   41   33   11 o   56.371   18.633  1533.58  991.718   0.0000   0.0000  1533.58  991.718  ?   ?    56.371   18.633 0.000000 18.63266 
1 1 1   41   35    0 o   75.295   28.776  2787.85  2451.91   0.0000   0.0000  2787.85  2451.91  ?   ?    75.295   28.776 0.000000 28.77583 
1 1 1   41   35    1 o   51.729   24.145 -1159.4120  2498.96   0.0000   0.0000 -1159.4120  2498.96  ?   ?    51.729   24.145 0.000000 24.14543 
1 1 1   41   35    2 o   48.088   22.832 -1824.8060  2411.29   0.0000   0.0000 -1824.8060  2411.29  ?   ?    48.088   22.832 0.000000 22.83215 
1 1 1   41   35    3 o   58.778   26.632  -9.5803  2739.43   0.0000   0.0000  -9.5803  2739.43  ?   ?    58.778   26.632 0.000000 26.63184 
1 1 1   41   35    4 o   78.236   31.071  3215.59  2947.72   0.0000   0.0000  3215.59  2947.72  ?   ?    78.236   31.071 0.000000 31.07093 
1 1 1   41   35    5 o   46.643   11.532  963.240  434.258   0.0000   0.0000  963.240  434.258  ?   ?    46.643   11.532 0.000000 11.53151 
1 1 1   41   35    6 o  117.387   11.594  5953.08  1090.60   0.0000   0.0000  5953.08  1090.60  ?   ?   117.387   11.594 0.000000 11.59368 
1 1 1   41   35    7 o   39.431   13.303  656.792  505.095   0.0000   0.0000  656.792  505.095  ?   ?    39.431   13.303 0.000000 13.30254 
1 1 1   41   35    8 o   44.000   14.637  856.183  611.594   0.0000   0.0000  856.183  611.594  ?   ?    44.000   14.637 0.000000 14.63656 
1 1 1   41   35    9 o   35.568   14.606  313.683  676.041   0.0000   0.0000  313.683  676.041  ?   ?    35.568   14.606 0.000000 14.60550 
1 1 1   41   37    0 o   93.287   33.616  6118.47  3254.71   0.0000   0.0000  6118.47  3254.71  ?   ?    93.287   33.616 0.000000 33.61632 
1 1 1   41   37    1 o   88.980   34.948  5921.46  3691.06   0.0000   0.0000  5921.46  3691.06  ?   ?    88.980   34.948 0.000000 34.94825 
1 1 1   41   37    2 o   66.971   29.802  1953.15  3263.04   0.0000   0.0000  1953.15  3263.04  ?   ?    66.971   29.802 0.000000 29.80241 
1 1 1   41   37    3 o   46.905   23.097 -3636.6760  3111.23   0.0000   0.0000 -3636.6760  3111.23  ?   ?    46.905   23.097 0.000000 23.09653 
1 1 1   41   37    4 o   93.532   37.454  7803.62  4318.06   0.0000   0.0000  7803.62  4318.06  ?   ?    93.532   37.454 0.000000 37.45396 
1 1 1   41   37    5 o  101.393   11.083  4505.05  897.593   0.0000   0.0000  4505.05  897.593  ?   ?   101.393   11.083 0.000000 11.08318 
1 1 1   41   37    6 o   25.110   10.355  113.516  341.588   0.0000   0.0000  113.516  341.588  ?   ?    25.110   10.355 0.000000 10.35475 
1 1 1   42    0    2 o  548.460   40.026 125106.00 17606.80 125106.00 17606.80   0.0000   0.0000  548.460   40.026  548.460   40.026 0.000000 0.000000 
1 1 1   42    0    4 o  407.034   29.719 68776.76  9701.75   0.0000   0.0000 68776.76  9701.75  407.034   29.719  407.034   29.719 0.000000 0.000000 
1 1 1   42    0    5 o  463.141   33.377 89295.20 12401.95   0.0000   0.0000 89295.20 12401.95  463.141   33.377  463.141   33.377 0.000000 0.000000 
1 1 1   42    0    6 o  372.775   27.361 57742.65  8178.98   0.0000   0.0000 57742.65  8178.98  372.775   27.361  372.775   27.361 0.000000 0.000000 
1 1 1   42    0    7 o  818.163   58.705 286074.59 38537.56   0.0000   0.0000 286074.59 38537.56  818.163   58.705  818.163   58.705 0.000000 0.000000 
1 1 1   42    0    8 o  242.246   14.385 24134.79  2806.72 21502.82  4169.01 26316.59  3795.78  225.904   23.296  251.995   18.791 0.000000 0.000000 
1 1 1   42    0    9 o  140.950   10.661  8215.47  1204.04  8729.37  1910.33  7876.79  1550.86  143.421   17.038  136.911   14.308 0.000000 0.000000 
1 1 1   42    0   10 o  155.231   11.416  9959.97  1420.96 10035.73  2250.93  9909.77  1832.17  153.483   18.820  153.826   14.996 0.000000 0.000000 
1 1 1   42    0   11 o   68.469   24.349  2525.15  1233.50  2525.15  1233.50   0.0000   0.0000   68.469   24.349   68.469   24.349 0.000000 0.000000 
1 1 1   42    0   12 o  228.015   14.151 21435.68  2596.72 20468.77  3881.77 22218.83  3493.49  220.184   22.232  230.824   18.933 0.000000 0.000000 
1 1 1   42    0   13 o   22.941   14.884 -38.7230  660.179  1061.36  1071.19 -712.4828  838.314   42.445   22.713   20.721   14.367 0.000000 0.000000 
1 1 1   42    0   14 o  239.079   15.113 23666.05  2906.93 21463.73  4376.42 25404.85  3888.70  223.635   24.890  246.182   19.746 0.000000 0.000000 
1 1 1   42    0   15 o  119.154   12.841  6006.84  1205.84  5068.06  2037.77  6512.69  1495.84   99.784   28.978  123.097   15.656 0.000000 0.000000 
1 1 1   42    0   16 o   20.088   13.832 -536.7371  744.718 -1721.3920  1294.35   49.496  910.525   22.884   16.263   27.695   17.783 0.000000 0.000000 
1 1 1   42    0   17 o  319.518   18.965 43070.04  4880.62 40824.82  7286.93 44896.68  6572.68  302.162   30.407  321.472   25.552 0.000000 0.000000 
1 1 1   42    0   18 o   93.762   18.209  4041.22  1236.13  4523.03  2288.76  3842.79  1468.77   86.881   33.949   87.222   23.984 0.000000 0.000000 
1 1 1   42    0   19 o  135.331   15.325  7920.34  1628.25 10097.63  2971.75  6986.30  1946.42  144.703   28.421  123.244   21.379 0.000000 0.000000 
1 1 1   42    0   20 o   62.947   22.936  2255.11  1079.29  513.585  2583.14  2623.44  1187.96   45.608   29.535   68.564   23.683 0.000000 0.000000 
1 1 1   42    0   21 o   45.714   24.086  1406.81  1189.29  4437.83  2823.49  753.061  1311.29   75.588   37.750   37.896   22.984 0.000000 0.000000 
1 1 1   42    0   22 o  169.366   17.127 12931.90  2300.07 15087.46  4582.96 12206.17  2659.22  152.244   42.826  160.106   21.554 0.000000 0.000000 
1 1 1   42    2    0 o  892.722   63.150 336049.19 45479.61   0.0000   0.0000 336049.19 45479.61  ?   ?   892.722   63.150 0.000000 63.15004 
1 1 1   42    2    1 o  351.997   18.672 50602.71  5317.69 61531.46  7490.88 39500.32  7550.16  387.572   23.920  309.156   30.474 78.41574 38.74064 
1 1 1   42    2    2 o  537.867   22.440 118048.00  9800.02 113064.20 12017.41 127941.90 16932.28  524.864   28.303  556.172   37.717 -31.30859 47.15585 
1 1 1   42    2    3 o  193.534   9.8486 15262.64  1542.53 14462.52  1891.77 16849.94  2664.53  188.163   12.453  202.763   16.323 -14.60017 20.53022 
1 1 1   42    2    4 o  244.485   11.341 24308.75  2251.30 23130.71  2715.23 26900.01  4027.02  237.959   14.116  256.020   19.519 -18.06046 24.08840 
1 1 1   42    2    5 o  239.019   11.394 23240.25  2211.31 24307.28  2676.51 20945.62  3924.99  243.968   13.565  225.299   21.725 18.66852 25.61206 
1 1 1   42    2    6 o  382.094   20.772 59872.86  6420.33 68942.75  8903.71 50048.63  9266.58  408.744   26.979  346.383   33.360 62.36057 42.90437 
1 1 1   42    2    7 o  588.386   23.930 141986.50 11432.43 147478.91 19650.69 139176.30 14056.07  592.559   41.096  580.145   29.941 12.41400 50.84652 
1 1 1   42    2    8 o  676.476   27.466 188486.50 15086.43 206323.70 25997.47 179430.00 18524.58  697.365   46.174  656.289   34.888 41.07654 57.87238 
1 1 1   42    2    9 o  193.658   8.4046 15248.54  1321.58 16250.68  1881.40 14272.39  1856.83  199.445   11.669  186.796   12.311 12.64867 16.96251 
1 1 1   42    2   10 o  385.183   16.558 60621.61  5178.46 60264.35  6313.46 61356.11  9052.63  382.890   20.381  383.866   29.265 -0.9758301 35.66217 
1 1 1   42    2   11 f  329.302   12.311 44200.57  3291.78 44963.04  4676.23 43451.61  4634.61  331.016   17.460  325.361   17.609 5.655334 24.79770 
1 1 1   42    2   12 o  560.729   20.139 129201.20  9169.36 131027.20 12990.44 127388.00 12944.54  560.570   28.636  552.552   28.953 8.018433 40.72175 
1 1 1   42    2   13 o  394.834   14.630 63787.91  4690.17 65387.68  6653.40 62207.73  6612.59  397.699   20.675  387.743   21.083 9.955963 29.52868 
1 1 1   42    2   14 o  310.772   12.272 39504.65  3096.77 38667.22  4391.85 40332.72  4367.23  305.719   17.769  312.411   17.284 -6.691711 24.78831 
1 1 1   42    2   15 o  261.018   10.878 27886.07  2305.56 29233.02  3259.12 26536.75  3261.99  265.822   15.163  252.970   15.963 12.85225 22.01627 
1 1 1   42    2   16 o  109.454   9.5433  4939.19  839.659  4439.72  1185.13  5442.60  1189.80  102.637   14.635  114.217   13.064 -11.58009 19.61799 
1 1 1   42    2   17 o  161.735   9.5242 10759.93  1245.24 11510.58  1781.54 10042.89  1741.21  166.297   13.305  155.063   13.980 11.23441 19.29941 
1 1 1   42    2   18 o  139.124   9.8268  7995.57  1102.94  7840.42  1533.34  8161.91  1587.67  136.555   14.028  139.282   14.239 -2.726852 19.98858 
1 1 1   42    2   19 o  251.038   11.689 26148.39  2382.63 26585.17  3378.91 25716.41  3360.27  249.824   16.754  245.553   16.957 4.270935 23.83825 
1 1 1   42    2   20 o   59.370   15.223  1553.34  737.316  1909.22  954.305  1026.27  1161.37   65.410   17.587   53.339   19.933 12.07112 26.58230 
1 1 1   42    2   21 o   46.503   16.638  842.995  795.982  1316.50  1070.55  257.601  1190.33   55.812   19.352   44.778   18.954 11.03402 27.08799 
1 1 1   42    2   22 o   52.212   17.127  1211.35  838.499  1994.79  1135.85  273.110  1243.01   64.881   19.773   44.910   19.201 19.97144 27.56185 
1 1 1   42    4    0 o  565.867   28.175 130980.70 12945.59 145293.20 18271.25 116552.90 18344.63  592.959   38.152  529.501   43.041 63.45844 57.51582 
1 1 1   42    4    1 o  395.503   20.565 63945.95  6581.33 68743.06  9210.09 58940.61  9407.86  408.960   27.903  377.980   30.925 30.97931 41.65195 
1 1 1   42    4    2 o  815.175   34.242 273313.50 22664.29 288861.91 27757.18 242211.30 39257.93  835.738   40.904  752.517   64.884 83.22162 76.70142 
1 1 1   42    4    3 o  444.023   17.640 80356.67  6359.88 89895.93  8950.49 70628.66  9038.61  468.332   23.613  414.335   27.014 53.99722 35.87971 
1 1 1   42    4    4 o  236.638   11.058 22774.16  2124.75 23811.86  3492.05 22164.15  2677.39  240.960   17.978  232.882   14.227 8.078537 22.92640 
1 1 1   42    4    5 o  451.978   16.191 83287.31  5942.12 82354.45  8390.53 84225.93  8416.38  447.872   23.152  452.987   22.957 -5.115326 32.60438 
1 1 1   42    4    6 o  150.359   8.9527  9223.58  1088.06  9609.74  1311.85  8372.40  1947.67  153.339   10.601  142.221   17.217 11.11792 20.21889 
1 1 1   42    4    7 o  295.539   13.005 35569.86  3120.88 37671.94  3805.15 31249.79  5454.97  303.561   15.489  274.836   24.709 28.72467 29.16218 
1 1 1   42    4    8 f  309.416   17.244 39215.93  4315.05 39215.93  4315.05   0.0000   0.0000  309.416   17.244  ?   ?  0.000000 17.24387 
1 1 1   42    4    9 o  204.725   12.367 17133.92  2046.10 16966.40  2764.01 17337.01  3043.39  203.109   16.914  205.077   18.475 -1.968506 25.04810 
1 1 1   42    4   10 o  436.808   17.868 78058.41  6337.40 83432.17 10863.97 75286.57  7802.49  447.530   30.072  427.440   22.561 20.08997 37.59398 
1 1 1   42    4   11 o  526.814   21.435 114073.50  9169.09 119532.60 15767.80 111284.30 11270.59  531.866   36.737  517.858   26.896 14.00781 45.53034 
1 1 1   42    4   12 o  402.269   17.455 66316.45  5701.19 60411.48 10161.86 69028.92  6887.25  377.925   33.461  409.104   20.802 -31.17908 39.40026 
1 1 1   42    4   13 o  158.667   8.7623 10281.93  1124.50 10920.15  1623.45  9693.34  1559.06  163.069   12.353  153.541   12.617 9.527847 17.65735 
1 1 1   42    4   14 o  299.481   12.050 36691.80  2930.10 36293.41  4184.28 37075.13  4104.44  296.117   17.480  299.471   16.949 -3.354187 24.34811 
1 1 1   42    4   15 o   56.712   12.317  1370.21  550.952  1599.65  831.833  1190.90  735.380   61.134   16.413   53.300   15.836 7.833431 22.80673 
1 1 1   42    4   16 o   76.155   11.643  2436.18  697.061  2354.71  956.453  2528.46  1018.01   73.876   16.375   76.512   16.843 -2.635910 23.49076 
1 1 1   42    4   17 o  127.941   9.3916  6745.48  968.816  7065.78  1379.03  6433.33  1361.37  130.031   13.246  123.872   13.768 6.158920 19.10563 
1 1 1   42    4   18 o   82.550   11.606  2868.52  756.425  2092.65  1009.22  3863.13  1142.66   69.048   17.865   94.965   15.342 -25.91756 23.54837 
1 1 1   42    4   19 o  200.611   10.817 16700.33  1755.40 17155.73  2514.16 16267.17  2452.02  201.070   15.520  195.747   15.556 5.322525 21.97350 
1 1 1   42    4   20 o   58.333   15.922  1502.45  775.257  1761.64  1028.04  1160.72  1180.45   62.939   18.729   55.147   20.188 7.792114 27.53762 
1 1 1   42    4   21 o   63.641   15.890  1821.65  818.610  2116.04  1056.39  1379.14  1295.14   67.878   18.611   58.010   21.159 9.868546 28.17940 
1 1 1   42    4   22 o  114.495   12.339  5672.56  1128.97  6414.39  1500.64  4705.10  1713.72  119.552   15.850   97.819   22.098 21.73344 27.19419 
1 1 1   42    6    0 o  236.649   20.078 23001.80  3821.62   0.0000   0.0000 23001.80  3821.62  ?   ?   236.649   20.078 0.000000 20.07804 
1 1 1   42    6    1 o  698.693   49.822 204969.20 28079.35   0.0000   0.0000 204969.20 28079.35  ?   ?   698.693   49.822 0.000000 49.82153 
1 1 1   42    6    2 o  672.306   32.846 186061.91 17930.50 196740.41 25479.63 175585.59 25237.21  685.382   46.052  646.261   48.447 39.12073 66.84254 
1 1 1   42    6    3 o  586.141   22.851 140528.20 10875.52 159661.91 15332.32 121153.00 15428.74  623.011   30.309  540.345   35.361 82.66608 46.57294 
1 1 1   42    6    4 o  840.464   29.718 290805.81 20280.29 303058.50 28652.40 278504.50 28708.99  852.455   41.395  814.999   43.541 37.45612 60.07810 
1 1 1   42    6    5 o  553.655   20.734 125358.20  9321.14 143104.20 13170.92 107551.90 13193.29  589.923   27.497  509.308   32.067 80.61548 42.24171 
1 1 1   42    6    6 o  492.729   19.196 99215.79  7679.94 117711.50 10871.98 80794.16 10850.20  535.473   25.005  441.454   30.456 94.01871 39.40636 
1 1 1   42    6    7 o  415.586   15.370 70434.55  5186.43 79805.27  7352.56 61154.22  7317.02  441.595   20.506  385.393   23.495 56.20215 31.18476 
1 1 1   42    6    8 o  362.159   15.290 53505.96  4496.09 52888.95  5506.93 54739.48  7786.41  359.113   18.953  363.625   26.556 -4.511658 32.62566 
1 1 1   42    6    9 o  248.790   11.206 25200.62  2263.68 25400.03  2771.99 24801.41  3922.07  249.219   13.752  245.284   19.863 3.934402 24.15911 
1 1 1   42    6   10 o  333.954   14.603 45520.81  3959.87 45566.02  4855.25 45431.00  6843.44  333.181   18.014  330.836   25.677 2.345642 31.36554 
1 1 1   42    6   11 o  286.379   15.624 33623.21  3619.27 33584.93  4982.72 33665.96  5265.87  284.937   21.700  284.972   22.952 -0.3552246E-01 31.58629 
1 1 1   42    6   12 o  119.034   11.729  5833.66  1118.89   0.0000   0.0000  5833.66  1118.89  ?   ?   119.034   11.729 0.000000 11.72891 
1 1 1   42    6   13 o  164.202   9.5550 11024.71  1268.43 10266.82  2047.95 11496.40  1615.62  157.347   16.264  167.358   11.968 -10.01097 20.19317 
1 1 1   42    6   14 o  310.262   12.650 39442.65  3186.91 39335.18  4557.18 39545.51  4458.39  307.784   18.318  308.778   17.859 -0.9945374 25.58292 
1 1 1   42    6   15 o  201.640   9.6705 16625.84  1583.31 16198.28  2273.34 17028.59  2206.43  197.714   14.257  202.960   13.465 -5.246460 19.61021 
1 1 1   42    6   16 o   85.849   10.060  3061.04  687.941  2434.06  972.693  3688.54  973.097   75.080   16.413   93.678   13.156 -18.59804 21.03510 
1 1 1   42    6   17 f  168.697   9.5146 11710.96  1297.95 12201.67  1825.86 11209.66  1845.45  171.149   13.242  163.752   14.015 7.397125 19.28099 
1 1 1   42    6   18 o  169.842   10.074 11917.93  1383.06 12937.61  1965.10 10917.03  1946.92  175.645   13.892  160.792   15.089 14.85214 20.51006 
1 1 1   42    6   19 o  135.900   10.114  7670.43  1108.04  7928.37  1552.33  7402.51  1582.09  136.728   14.189  131.718   15.064 5.010223 20.69416 
1 1 1   42    6   20 o   86.708   11.927  3199.76  817.459  2333.37  1039.95  4600.73  1322.42   71.995   17.873  102.407   16.461 -30.41207 24.29848 
1 1 1   42    6   21 o   96.384   11.793  3972.65  903.642  3907.55  1204.72  4056.39  1366.38   93.445   16.480   94.160   18.532 -0.7152710 24.79957 
1 1 1   42    6   22 o  119.550   11.882  6169.12  1138.13  6599.51  1480.23  5546.71  1780.05  121.372   15.364  106.736   21.286 14.63635 26.25153 
1 1 1   42    8    0 o   95.012   15.629  3773.35  1163.76   0.0000   0.0000  3773.35  1163.76  ?   ?    95.012   15.629 0.000000 15.62855 
1 1 1   42    8    1 o  420.464   31.175 73162.16 10567.37   0.0000   0.0000 73162.16 10567.37  ?   ?   420.464   31.175 0.000000 31.17483 
1 1 1   42    8    2 o  790.624   38.679 259614.20 24830.34 273432.69 35241.87 245992.30 34990.29  800.970   54.512  757.675   57.299 43.29572 79.08731 
1 1 1   42    8    3 o  794.389   38.553 262468.91 24867.17 286769.81 35297.27 238522.20 35039.13  819.992   53.304  743.921   58.479 76.07135 79.12733 
1 1 1   42    8    4 o  770.445   28.790 244448.30 18010.31 269302.41 25431.02 219439.59 25510.01  803.946   38.958  722.142   43.712 81.80408 58.55319 
1 1 1   42    8    5 o  782.386   30.908 252794.20 19635.11 297187.00 27759.24 208343.80 27777.23  843.175   40.546  699.757   49.201 143.4174 63.75537 
1 1 1   42    8    6 o  654.049   22.619 175360.50 12012.30 181979.50 17001.75 168762.80 16974.21  663.258   31.570  637.415   32.909 25.84338 45.60318 
1 1 1   42    8    7 o  678.638   26.475 189637.20 14588.42 197749.50 17888.82 173530.20 25206.79  690.818   31.892  636.740   49.135 54.07800 58.57740 
1 1 1   42    8    8 o  276.886   10.609 31202.33  2385.23 33515.17  3394.97 28947.83  3351.89  286.274   14.655  265.864   15.595 20.40927 21.40030 
1 1 1   42    8    9 o  625.270   25.703 161260.41 13049.49 165798.00 16009.41 152276.70 22526.24  631.652   31.215  595.192   46.994 36.46002 56.41611 
1 1 1   42    8   10 o  107.596   7.5344  4730.13  654.081  4426.08  900.790  5069.24  951.295  103.688   10.861  111.064   10.680 -7.376663 15.23230 
1 1 1   42    8   11 o  350.093   15.249 50108.14  4334.88 50102.46  5326.71 50119.28  7459.24  348.937   18.871  346.691   26.704 2.246033 32.69848 
1 1 1   42    8   12 o  165.929   9.9133 11256.95  1329.50 10352.50  1631.32 13045.96  2294.31  158.718   12.766  177.730   16.072 -19.01216 20.52552 
1 1 1   42    8   13 o  139.814   11.355  8036.17  1277.91  9008.81  1631.18  6490.63  2056.22  147.681   13.762  123.485   21.276 24.19640 25.33839 
1 1 1   42    8   14 o  276.384   12.671 31335.38  2843.59 33178.23  4721.59 30286.54  3562.03  281.236   20.825  270.342   16.304 10.89380 26.44748 
1 1 1   42    8   15 o  197.338   10.463 15998.56  1670.49 16755.36  2668.83 15511.06  2141.99  200.224   16.565  193.478   13.724 6.746017 21.51120 
1 1 1   42    8   16 o   97.174   9.2989  3901.83  724.742  4113.35  978.080  3644.29  1079.25   99.142   12.423   92.627   14.852 6.515182 19.36232 
1 1 1   42    8   17 o  238.691   10.839 23465.60  2100.76 23899.53  3010.24 23053.63  2933.10  238.596   15.624  234.380   15.500 4.216507 22.00836 
1 1 1   42    8   18 f  116.368   9.8592  5615.41  922.806  6534.78  1255.51  4535.12  1360.95  124.825   12.558  102.326   16.975 22.49895 21.11524 
1 1 1   42    8   19 o  141.556   10.073  8326.50  1150.28  8592.49  1575.74  8023.05  1683.03  142.407   13.801  136.866   15.413 5.541245 20.68848 
1 1 1   42    8   20 o   87.103   11.991  3236.64  825.559  2973.90  1051.09  3659.72  1333.80   81.805   16.395   89.867   18.879 -8.061127 25.00464 
1 1 1   42    8   21 o   93.592   11.276  3742.46  839.646  3780.08  1069.92  3682.15  1354.76   92.515   14.737   88.869   19.325 3.646294 24.30343 
1 1 1   42    8   22 o   94.422   12.720  3917.48  950.394  4477.45  1246.96  3141.31  1468.07   98.948   16.072   78.758   22.071 20.18940 27.30318 
1 1 1   42   10    0 o  127.263   16.131  6708.70  1629.50   0.0000   0.0000  6708.70  1629.50  ?   ?   127.263   16.131 0.000000 16.13145 
1 1 1   42   10    1 o  117.456   15.845  5725.90  1472.59   0.0000   0.0000  5725.90  1472.59  ?   ?   117.456   15.845 0.000000 15.84515 
1 1 1   42   10    2 o   83.737   11.792  2909.64  779.563  2301.93  1232.68  3314.69  1006.37   73.835   20.046   89.073   14.406 -15.23855 24.68571 
1 1 1   42   10    3 o  224.745   14.206 20662.73  2579.11 20257.19  3792.01 21011.81  3518.20  221.461   21.352  225.918   19.366 -4.456299 28.82686 
1 1 1   42   10    4 o  453.819   18.775 84163.37  6918.37 85589.45 12212.27 83489.40  8395.51  453.297   33.416  450.689   23.019 2.608185 40.57666 
1 1 1   42   10    5 o  155.454   11.142  9884.85  1397.05 14210.99  2231.75  7097.29  1791.46  186.103   14.894  130.719   17.304 55.38379 22.83078 
1 1 1   42   10    6 o  557.374   18.672 127029.00  8450.52 132632.09 11953.36 121430.60 11948.32  567.661   25.934  542.818   27.109 24.84265 37.51602 
1 1 1   42   10    7 o  347.698   13.329 49272.87  3762.93 52725.58  5335.72 45856.49  5307.57  358.583   18.388  334.101   19.652 24.48239 26.91264 
1 1 1   42   10    8 o  397.381   15.580 64481.17  5027.10 69573.25  7137.72 59469.10  7081.42  411.172   21.454  379.647   23.082 31.52518 31.51246 
1 1 1   42   10    9 o  273.030   14.616 30519.09  3228.49 32836.63  3960.68 25930.02  5573.38  282.767   17.334  248.686   28.094 34.08156 33.01121 
1 1 1   42   10   10 o  278.180   11.334 31533.71  2560.15 32393.18  3648.65 30700.18  3593.20  280.972   16.060  273.471   16.255 7.501312 22.85043 
1 1 1   42   10   11 o  191.656   8.6293 14949.54  1342.87 13672.88  1895.92 16234.84  1902.32  182.568   12.872  199.164   11.816 -16.59651 17.47322 
1 1 1   42   10   12 o  379.765   14.420 59053.94  4446.35 60705.81  6343.23 57458.29  6234.35  382.870   20.478  372.378   20.701 10.49176 29.11857 
1 1 1   42   10   13 o  107.541   9.4176  4754.03  814.055  4988.55  972.289  4204.20  1488.73  109.935   11.042   99.150   19.186 10.78471 22.13617 
1 1 1   42   10   14 f  293.166   14.345 35425.09  3414.72 37278.50  4212.81 31874.94  5830.56  299.203   17.416  271.982   26.748 27.22125 31.91796 
1 1 1   42   10   15 o  317.591   17.907 42278.13  4598.95 45684.34  6283.26 38347.62  6749.53  326.260   23.884  295.442   28.489 30.81836 37.17646 
1 1 1   42   10   16 o  363.484   16.239 55208.75  4792.72 59714.80  8024.61 52710.09  5975.56  368.121   27.036  351.252   21.049 16.86978 34.26371 
1 1 1   42   10   17 o  186.600   9.8563 14357.20  1488.05 14530.34  2113.53 14187.02  2095.43  186.252   14.080  184.005   14.133 2.246948 19.94933 
1 1 1   42   10   18 o  171.249   9.8152 12128.96  1359.10 11235.02  1900.12 13065.39  1944.77  163.027   14.506  176.259   13.696 -13.23164 19.95022 
1 1 1   42   10   19 o   81.633   10.806  2813.08  698.643  2962.11  852.481  2508.24  1219.23   83.110   13.064   74.389   19.826 8.721199 23.74294 
1 1 1   42   10   20 o  131.656   10.115  7260.90  1073.04  6264.93  1388.72  8736.54  1690.38  120.287   14.512  142.072   14.874 -21.78425 20.78029 
1 1 1   42   10   21 o  138.701   10.059  8117.68  1125.19  6755.49  1461.99 10096.88  1762.27  123.742   14.847  151.827   14.470 -28.08537 20.73237 
1 1 1   42   10   22 o  105.247   11.492  4814.76  966.123  4987.86  1171.30  4446.35  1708.79  105.516   14.018   92.605   22.863 12.91052 26.81839 
1 1 1   42   12    2 o  860.927   64.388 326594.19 44684.19 326594.19 44684.19   0.0000   0.0000  860.927   64.388  ?   ?  0.000000 64.38799 
1 1 1   42   12    3 f  537.136   40.089 121476.10 17358.26 121476.10 17358.26   0.0000   0.0000  537.136   40.089  ?   ?  0.000000 40.08890 
1 1 1   42   12    4 o  284.686   13.141 33019.91  3037.55 32670.28  5585.42 33166.73  3619.61  280.871   24.744  284.675   15.720 -3.803650 29.31534 
1 1 1   42   12    5 o  153.299   9.5030  9595.88  1177.04  9016.78  2367.53  9786.00  1356.57  147.015   20.382  154.682   10.870 -7.666992 23.09912 
1 1 1   42   12    6 o  106.906   8.9318  4680.64  768.215  3836.30  1638.47  4918.55  869.738   94.841   21.741  109.504   9.8885 -14.66306 23.88444 
1 1 1   42   12    7 o  439.907   17.700 79163.77  6322.12 89364.36 11360.41 74587.38  7609.27  463.070   30.382  425.553   22.098 37.51727 37.56868 
1 1 1   42   12    8 o  537.243   17.429 118116.90  7603.06 116505.20 10784.79 119709.30 10720.19  531.339   24.998  538.766   24.506 -7.426819 35.00586 
1 1 1   42   12    9 o  250.787   10.940 25622.10  2227.64 24443.54  2712.55 28063.46  3904.08  244.330   13.729  260.986   18.544 -16.65541 23.07268 
1 1 1   42   12   10 o  306.228   11.091 38222.67  2757.64 38170.08  3924.57 38273.97  3875.67  304.975   15.904  305.438   15.680 -0.4624634 22.33372 
1 1 1   42   12   11 o  131.354   8.2853  7051.03  879.143  8366.21  1199.53  5524.68  1292.24  142.879   10.411  115.376   14.086 27.50294 17.51637 
1 1 1   42   12   12 o  348.331   13.864 49735.58  3921.09 51063.46  5594.00 48452.99  5497.78  350.716   19.724  341.534   19.911 9.181793 28.02682 
1 1 1   42   12   13 o  209.360   10.059 17915.78  1709.89 20348.76  2442.94 15579.12  2394.09  222.100   13.612  193.790   15.340 28.31062 20.50897 
1 1 1   42   12   14 o  212.955   10.190 18573.93  1761.97 20929.67  2550.01 16421.67  2437.40  224.758   14.043  198.620   15.230 26.13780 20.71604 
1 1 1   42   12   15 o   62.717   10.721  1659.49  526.328  1489.02  580.257  2450.82  1250.18   59.012   12.499   74.863   20.130 -15.85126 23.69502 
1 1 1   42   12   16 o  266.442   14.461 29638.65  3116.89 31283.13  3838.98 26457.89  5339.08  272.054   17.471  243.143   27.529 28.91106 32.60483 
1 1 1   42   12   17 o  190.873   12.975 15219.71  1998.99 16199.05  2497.67 13474.50  3334.19  195.610   15.862  173.583   24.324 22.02654 29.03905 
1 1 1   42   12   18 o   74.766   10.456  2355.54  617.407  2729.67  756.847  1611.28  1067.46   80.163   11.997   61.018   19.264 19.14510 22.69429 
1 1 1   42   12   19 o  156.607   9.7028 10202.04  1227.73  9946.15  1683.21 10492.95  1794.70  152.820   13.711  156.700   14.261 -3.879776 19.78325 
1 1 1   42   12   20 o   60.861   10.959  1598.52  521.638  2029.51  601.777  295.881  1046.20   68.688   11.174   42.760   17.917 25.92862 21.11544 
1 1 1   42   12   21 o   70.440   12.047  2175.73  664.266  2702.33  759.065  453.652  1372.67   78.558   12.304   47.878   20.315 30.68064 23.75078 
1 1 1   42   14    0 o  253.447   22.491 26565.00  4580.37   0.0000   0.0000 26565.00  4580.37  ?   ?   253.447   22.491 0.000000 22.49107 
1 1 1   42   14    1 o  331.965   26.593 45700.71  7107.90   0.0000   0.0000 45700.71  7107.90  ?   ?   331.965   26.593 0.000000 26.59327 
1 1 1   42   14    2 o  605.273   30.987 152219.70 15178.07 151193.70 21647.59 153211.70 21287.01  595.713   45.088  600.378   43.973 -4.665405 62.98058 
1 1 1   42   14    3 o  576.361   29.694 137852.30 13849.17 134207.50 19775.42 141360.50 19401.31  561.656   43.707  577.710   41.639 -16.05353 60.36667 
1 1 1   42   14    4 o  583.626   22.993 139968.30 10896.03 148092.20 19284.33 136158.59 13206.07  591.743   40.377  573.839   28.343 17.90375 49.33181 
1 1 1   42   14    5 o  416.143   17.427 70820.35  5888.54 71265.78 10623.25 70622.79  7074.91  412.786   31.944  414.343   21.099 -1.556427 38.28294 
1 1 1   42   14    6 f   56.997   10.508  1364.44  468.371  1340.69  1184.10  1368.84  509.961   59.625   20.367   56.965   11.423 2.660038 23.35119 
1 1 1   42   14    7 o  571.822   23.655 134776.59 10982.92 124953.00 19485.20 139350.91 13296.34  538.544   44.971  579.588   28.254 -41.04315 53.11026 
1 1 1   42   14    8 o  346.825   15.195 49167.95  4279.21 49093.68  7949.33 49198.24  5077.69  342.431   28.859  345.975   18.138 -3.543945 34.08612 
1 1 1   42   14    9 o  168.002   13.838 11607.09  1870.87 13416.03  3027.48 10489.53  2379.61  179.280   21.208  158.751   18.828 20.52951 28.35994 
1 1 1   42   14   10 o  339.166   14.812 47092.38  4079.05 53611.59  7695.29 44544.84  4810.47  357.652   26.691  328.716   18.093 28.93610 32.24532 
1 1 1   42   14   11 o  369.511   12.674 55859.54  3802.56 52656.23  5425.69 58951.81  5330.82  356.655   18.802  378.337   17.353 -21.68158 25.58606 
1 1 1   42   14   12 o  203.093   8.3969 16820.40  1384.68 15024.38  1944.89 18666.59  1971.87  191.008   12.611  213.246   11.430 -22.23828 17.02010 
1 1 1   42   14   13 o  107.757   7.9915  4764.07  694.239  5023.67  915.132  4412.11  1065.55  110.292   10.339  102.753   13.067 7.539825 16.66294 
1 1 1   42   14   14 o  305.920   12.246 38548.23  3041.83 39528.50  4389.62 37642.67  4219.03  306.939   17.688  299.654   17.415 7.285065 24.82256 
1 1 1   42   14   15 o  209.305   9.8979 17986.68  1682.14 18540.50  2403.25 17454.74  2355.30  210.849   14.119  204.496   14.274 6.353195 20.07744 
1 1 1   42   14   16 o  114.382   8.2676  5388.31  762.676  4485.73  973.387  6823.52  1227.44  103.505   11.793  127.873   11.961 -24.36836 16.79655 
1 1 1   42   14   17 o  169.804   11.358 12003.33  1556.97 12632.19  1862.83 10545.87  2835.91  173.418   13.332  153.055   23.576 20.36256 27.08460 
1 1 1   42   14   18 o   79.471   10.512  2663.03  661.670  2962.33  703.431  364.455  1949.38   83.871   10.564   56.224   24.042 27.64732 26.26065 
1 1 1   42   14   19 o   32.862   11.926  383.461  410.696  328.381  447.841  674.791  1029.95   32.452   12.323   47.034   18.465 -14.58160 22.19931 
1 1 1   42   14   20 o  161.597   10.426 11024.71  1360.77 10713.51  1833.55 11406.27  2030.28  156.465   14.601  160.527   15.780 -4.062683 21.49914 
1 1 1   42   14   21 o   84.849   10.701  3110.43  720.859  2369.30  824.541  5513.98  1484.87   72.057   14.593  108.672   17.416 -36.61485 22.72184 
1 1 1   42   16    0 o  131.889   19.243  7272.15  2000.05   0.0000   0.0000  7272.15  2000.05  ?   ?   131.889   19.243 0.000000 19.24312 
1 1 1   42   16    1 o  453.022   25.122 84865.40  9204.50   0.0000   0.0000 84865.40  9204.50  ?   ?   453.022   25.122 0.000000 25.12158 
1 1 1   42   16    2 o  123.142   10.664  6219.67  1055.76   0.0000   0.0000  6219.67  1055.76  ?   ?   123.142   10.664 0.000000 10.66424 
1 1 1   42   16    3 o  677.422   24.313 189112.00 13373.31 186693.41 27134.53 189887.91 15369.63  654.787   51.451  677.195   27.952 -22.40875 58.55371 
1 1 1   42   16    4 o  201.110   9.7207 16461.00  1587.33 13776.10  3558.36 17128.00  1773.58  181.138   24.848  204.813   10.702 -23.67487 27.05509 
1 1 1   42   16    5 o  280.280   12.736 32035.39  2898.53 36874.64  5538.19 30209.75  3401.62  298.353   23.040  271.454   15.497 26.89871 27.76679 
1 1 1   42   16    6 o  219.296   10.673 19588.78  1900.38 23799.08  3841.48 18224.53  2186.70  239.941   19.897  210.983   12.825 28.95810 23.67248 
1 1 1   42   16    7 o  266.363   12.646 28947.64  2735.01 30471.08  5276.12 28387.85  3198.27  270.461   24.284  263.086   15.034 7.375275 28.56145 
1 1 1   42   16    8 o  573.616   23.902 136194.80 11132.46 133864.20 19900.47 137256.30 13430.52  554.236   44.599  572.606   28.981 -18.36993 53.18788 
1 1 1   42   16    9 o  147.961   10.093  8964.80  1205.33 13410.57  2824.43  7974.87  1332.78  179.344   19.721  139.265   11.901 40.07903 23.03392 
1 1 1   42   16   10 o  335.782   15.588 46317.00  4249.98 42819.31  8111.27 47640.61  4989.74  315.546   32.106  339.373   18.174 -23.82654 36.89235 
1 1 1   42   16   11 o   79.773   12.411  2668.63  777.739  3914.82  1903.21  2418.81  852.136   94.664   24.553   75.475   14.431 19.18921 28.47956 
1 1 1   42   16   12 o  154.969   11.313  9899.65  1413.68 10306.49  3784.46  9833.67  1524.01  150.978   31.872  154.245   12.270 -3.266449 34.15194 
1 1 1   42   16   13 o  158.637   11.711 10404.06  1497.75  9642.82  3968.08 10530.54  1617.39  143.692   34.456  159.380   12.601 -15.68866 36.68758 
1 1 1   42   16   14 o  116.713   12.285  5682.31  1146.77 10281.67  3727.96  5201.60  1205.21  148.705   31.836  111.265   13.625 37.44047 34.62876 
1 1 1   42   16   15 o   98.474   8.4268  4001.88  667.298  4839.08  850.466  2660.91  1076.34  108.069   9.7986   77.981   17.436 30.08815 20.00103 
1 1 1   42   16   16 o   90.174   8.5597  3367.74  619.216  3425.49  734.944  3226.45  1149.59   90.590   10.167   85.865   17.090 4.724136 19.88532 
1 1 1   42   16   17 o  174.028   9.9683 12563.10  1402.70 13639.67  1924.91 11344.11  2048.28  179.905   13.271  162.796   15.690 17.10916 20.54969 
1 1 1   42   16   18 o   66.243   8.8728  1844.31  465.252  2019.92  512.506  1021.59  1109.31   69.250   9.3541   52.462   19.505 16.78803 21.63206 
1 1 1   42   16   19 o   56.010   12.219  1377.00  540.066  1015.18  563.230  5506.28  1902.73   48.012   13.747  107.203   22.573 -59.19075 26.42926 
1 1 1   42   16   20 o   65.363   10.217  1842.33  524.511  2124.24  540.326 -2763.0911  2183.91   70.469   9.7003   41.642   20.258 28.82745 22.46031 
1 1 1   42   18    0 f   51.113   12.403  1107.98  509.533   0.0000   0.0000  1107.98  509.533  ?   ?    51.113   12.403 0.000000 12.40316 
1 1 1   42   18    1 o  152.823   12.816  9592.55  1575.64   0.0000   0.0000  9592.55  1575.64  ?   ?   152.823   12.816 0.000000 12.81617 
1 1 1   42   18    2 o  316.533   13.430 40889.82  3451.73   0.0000   0.0000 40889.82  3451.73  ?   ?   316.533   13.430 0.000000 13.43010 
1 1 1   42   18    3 o  302.698   10.805 37327.39  2655.78 42690.57  5854.06 35937.55  2980.09  321.093   22.598  296.851   12.364 24.24261 25.75898 
1 1 1   42   18    4 o  401.900   16.068 66094.30  5243.57 63474.96 10916.55 66879.88  5978.39  386.751   35.147  403.826   18.233 -17.07455 39.59436 
1 1 1   42   18    5 o  620.922   25.629 159813.80 12921.44 161387.70 23022.98 159090.00 15612.16  607.935   47.006  615.672   31.334 -7.736267 56.49223 
1 1 1   42   18    6 o  343.835   14.772 48352.66  4124.11 53337.71  7816.05 46429.28  4854.95  357.055   27.163  335.897   17.865 21.15787 32.51168 
1 1 1   42   18    7 o  442.809   18.095 80581.52  6506.09 84340.86 11938.22 78993.27  7759.67  445.578   33.236  437.208   21.858 8.370178 39.77990 
1 1 1   42   18    8 o  838.587   45.084 311197.59 30585.46 304174.50 43689.18 317948.00 42832.29  787.058   69.062  811.607   65.556 -24.54883 95.22159 
1 1 1   42   18    9 o  113.067   10.958  5271.10  993.411  1999.89  2622.95  5818.90  1073.37   78.832   29.849  118.801   11.262 -39.96893 31.90312 
1 1 1   42   18   10 o   33.202   13.904   79.560  629.525  3909.73  2762.20 -130.2845  646.541   95.831   31.067   31.045   13.559 64.78622 33.89722 
1 1 1   42   18   11 o   77.849   13.556  2566.39  825.730  290.131  3119.21  2737.93  856.278   70.955   30.379   80.462   13.591 -9.506081 33.28036 
1 1 1   42   18   12 o  131.305   11.359  7137.24  1199.17  8720.48  3368.96  6907.54  1283.21  138.081   30.829  128.919   12.412 9.162506 33.23334 
1 1 1   42   18   13 o  192.970   12.414 15438.44  1934.79 19165.27  5042.50 14795.04  2095.15  204.745   31.328  188.433   13.789 16.31241 34.22836 
1 1 1   42   18   14 o  145.259   12.147  8787.83  1419.51  6639.15  4023.50  9093.30  1517.06  116.439   37.469  147.580   12.786 -31.14089 39.59059 
1 1 1   42   18   15 o   61.762   18.162  1660.52  971.433  7146.19  3980.54  1313.11  1001.72  118.772   37.156   56.397   18.730 62.37558 41.61047 
1 1 1   42   18   16 o   80.359   17.598  2863.63  1116.45  9202.36  4683.39  2481.71  1149.60  129.541   40.267   74.410   18.970 55.13087 44.51202 
1 1 1   42   18   17 o   33.985   15.448 -468.3901  930.875 -13140.9004  5252.50 -57.4566  945.847   52.659   26.538   37.899   16.479 14.75965 31.23791 
1 1 1   42   18   18 o   48.419   18.614  801.700  1029.76 -8620.6445  5972.11  1090.42  1045.42   62.066   30.819   52.369   19.024 9.696980 36.21817 
1 1 1   42   18   19 o   89.860   22.513  3998.24  1639.19   0.0000   0.0000  3998.24  1639.19  ?   ?    89.860   22.513 0.000000 22.51268 
1 1 1   42   18   20 o   59.768   25.723  1231.80  2257.59   0.0000   0.0000  1231.80  2257.59  ?   ?    59.768   25.723 0.000000 25.72298 
1 1 1   42   20    0 o  143.123   13.434  8439.78  1542.89   0.0000   0.0000  8439.78  1542.89  ?   ?   143.123   13.434 0.000000 13.43377 
1 1 1   42   20    1 o  209.355   15.130 18023.80  2554.55   0.0000   0.0000 18023.80  2554.55  ?   ?   209.355   15.130 0.000000 15.12955 
1 1 1   42   20    2 o  100.934   7.5547  4167.26  614.654   0.0000   0.0000  4167.26  614.654  ?   ?   100.934   7.5547 0.000000 7.554653 
1 1 1   42   20    3 o  203.430   9.1808 16850.73  1516.47 21361.53  3836.18 16015.29  1650.94  226.691   21.083  197.981   10.306 28.70927 23.46698 
1 1 1   42   20    4 o  186.913   9.7319 14270.98  1471.88 16036.39  3635.66 13924.90  1609.69  195.499   23.366  184.496   10.792 11.00302 25.73841 
1 1 1   42   20    5 o   82.123   9.5656  2784.68  625.890  2595.88  1948.59  2806.40  660.911   80.115   26.101   82.369   10.093 -2.254318 27.98416 
1 1 1   42   20    6 o  417.064   17.502 71556.19  5926.79 76113.45 11132.20 69753.44  7001.58  422.197   32.729  410.051   21.101 12.14630 38.94142 
1 1 1   42   20    7 o  230.411   12.197 21773.45  2273.78 24220.38  4822.44 21073.96  2578.37  239.276   25.201  226.282   14.103 12.99326 28.87857 
1 1 1   42   20    8 o  219.818   12.316 19857.79  2189.40 24667.91  5105.84 18774.07  2423.52  240.110   26.638  213.319   14.071 26.79083 30.12599 
1 1 1   42   20    9 o  284.807   14.455 33518.03  3331.89 32627.40  7045.95 33774.55  3781.40  271.621   32.599  285.186   16.399 -13.56491 36.49125 
1 1 1   42   20   10 o  197.314   12.203 16069.80  1945.48 20382.01  4925.66 15272.76  2117.65  214.843   28.975  191.936   13.678 22.90756 32.04117 
1 1 1   42   20   11 o  300.531   14.316 37423.25  3493.46 48134.44  7616.02 34569.03  3931.45  329.993   28.710  287.237   16.932 42.75522 33.33092 
1 1 1   42   20   12 o   43.518   15.533  685.493  693.372  5315.22  3641.43  511.319  706.294  107.062   35.719   40.869   15.486 66.19222 38.93165 
1 1 1   42   20   13 o  190.423   13.226 15129.53  2032.33 12486.77  5599.93 15530.42  2181.03  154.233   43.066  192.614   14.042 -38.38049 45.29791 
1 1 1   42   20   14 o  233.912   13.980 22951.47  2642.96 29196.59  6828.46 21851.05  2866.37  244.618   35.409  227.309   15.625 17.30894 38.70341 
1 1 1   42   20   15 o  175.857   13.477 13033.38  1909.79 12283.93  5475.08 13137.20  2037.78  147.332   43.059  176.121   14.375 -28.78918 45.39475 
1 1 1   42   20   16 o   47.948   17.956  806.128  943.413 -2579.0920  5129.34  924.653  959.787   71.175   33.648   49.782   18.206 21.39301 38.25828 
1 1 1   42   20   17 o   50.573   19.691  846.938  1163.72  4574.94  5649.91  681.774  1189.22   94.273   40.633   49.022   19.647 45.25177 45.13319 
1 1 1   42   20   18 o   39.356   17.104   28.247  1017.85   0.0000   0.0000   28.247  1017.85  ?   ?    39.356   17.104 0.000000 17.10377 
1 1 1   42   20   19 o   59.290   21.796  1632.89  1378.16   0.0000   0.0000  1632.89  1378.16  ?   ?    59.290   21.796 0.000000 21.79647 
1 1 1   42   22    0 o  385.400   21.517 61651.78  6706.52   0.0000   0.0000 61651.78  6706.52  ?   ?   385.400   21.517 0.000000 21.51716 
1 1 1   42   22    1 o  491.981   26.687 101486.40 10620.70   0.0000   0.0000 101486.40 10620.70  ?   ?   491.981   26.687 0.000000 26.68664 
1 1 1   42   22    2 o  537.055   29.024 121671.00 12609.60   0.0000   0.0000 121671.00 12609.60  ?   ?   537.055   29.024 0.000000 29.02414 
1 1 1   42   22    3 o  202.386   11.176 16773.19  1829.46   0.0000   0.0000 16773.19  1829.46  ?   ?   202.386   11.176 0.000000 11.17615 
1 1 1   42   22    4 f  185.370   10.397 14067.46  1558.57 11929.46  4083.65 14432.00  1686.22  165.013   31.630  187.654   11.116 -22.64084 33.52608 
1 1 1   42   22    5 o  536.261   20.198 119343.50  8794.63 116444.80 18288.60 120215.40 10030.53  507.137   44.877  536.472   23.027 -29.33524 50.43998 
1 1 1   42   22    6 o  218.813   10.879 19582.45  1932.86 28909.64  5071.92 17997.70  2090.63  261.104   24.198  209.193   12.363 51.91054 27.17356 
1 1 1   42   22    7 o  316.819   15.270 41443.59  3928.08 42648.70  8092.81 41072.17  4492.81  311.034   32.526  314.036   17.692 -3.002319 37.02583 
1 1 1   42   22    8 o  162.676   12.385 10943.31  1623.58  8189.50  4663.42 11323.14  1731.94  131.680   40.050  165.337   13.006 -33.65710 42.10918 
1 1 1   42   22    9 o   89.856   13.214  3400.29  935.321  5225.23  3816.53  3283.68  964.741  107.894   36.566   88.094   13.952 19.79950 39.13703 
1 1 1   42   22   10 o  222.115   12.560 20433.07  2256.00 28930.89  5843.22 18944.45  2445.63  254.591   28.771  213.254   14.205 41.33684 32.08694 
1 1 1   42   22   11 o  120.396   13.434  6083.88  1290.86 -1175.6021  4020.37  6918.30  1363.03   71.146   32.247  128.529   13.251 -57.38305 34.86324 
1 1 1   42   22   12 o  121.045   13.002  6152.37  1257.90 11122.64  4920.28  5804.79  1301.14  147.016   40.106  117.248   13.940 29.76723 42.45940 
1 1 1   42   22   13 o  118.187   13.515  5903.53  1273.59  4290.17  5303.16  6002.27  1311.99  101.179   41.153  119.075   13.827 -17.89600 43.41339 
1 1 1   42   22   14 o   90.100   15.909  3536.78  1121.34  6460.82  5448.02  3407.42  1145.88  110.319   42.703   88.142   16.620 22.17736 45.82349 
1 1 1   42   22   15 o   62.363   19.287  1725.76  1075.98 -1597.3060  5705.94  1848.28  1095.64   77.123   36.155   64.271   19.383 12.85165 41.02313 
1 1 1   42   22   16 o   64.469   21.082  1880.28  1270.83  451.009  5370.78  1965.05  1307.98   78.788   36.294   65.697   21.383 13.09064 42.12484 
1 1 1   42   22   17 o   92.169   18.737  3951.09  1354.43   0.0000   0.0000  3951.09  1354.43  ?   ?    92.169   18.737 0.000000 18.73658 
1 1 1   42   22   18 o   68.443   22.000  2349.56  1387.38   0.0000   0.0000  2349.56  1387.38  ?   ?    68.443   22.000 0.000000 21.99996 
1 1 1   42   24    0 o  343.940   20.749 49411.54  5767.42   0.0000   0.0000 49411.54  5767.42  ?   ?   343.940   20.749 0.000000 20.74909 
1 1 1   42   24    1 o  413.392   23.888 71978.98  7984.19   0.0000   0.0000 71978.98  7984.19  ?   ?   413.392   23.888 0.000000 23.88832 
1 1 1   42   24    2 o  506.732   28.352 109822.30 11618.46   0.0000   0.0000 109822.30 11618.46  ?   ?   506.732   28.352 0.000000 28.35160 
1 1 1   42   24    3 o  494.547   21.401 102369.80  8593.71   0.0000   0.0000 102369.80  8593.71  ?   ?   494.547   21.401 0.000000 21.40103 
1 1 1   42   24    4 o  347.061   13.799 49588.14  3888.68 60870.61  9046.75 47031.09  4306.86  373.997   30.045  337.298   15.726 36.69907 33.91133 
1 1 1   42   24    5 f   65.077   20.313  1772.61  1190.36  2938.87  2830.34  1521.99  1312.05   86.901   31.343   62.434   21.436 24.46690 37.97270 
1 1 1   42   24    6 o  260.550   12.063 27921.89  2551.99 35230.30  6328.38 26502.59  2788.81  283.779   27.822  253.044   13.623 30.73535 30.97880 
1 1 1   42   24    7 o  252.383   13.088 26366.90  2672.89 30411.91  6800.07 25627.73  2906.86  258.529   33.158  248.275   14.482 10.25343 36.18306 
1 1 1   42   24    8 o   57.804   14.432  1440.72  675.287  3193.55  4122.19  1392.39  684.535   94.182   36.952   56.842   14.716 37.34084 39.77434 
1 1 1   42   24    9 o  205.309   12.238 17480.03  2030.88 29098.63  5548.12 15682.37  2182.35  255.555   27.154  193.810   13.961 61.74530 30.53258 
1 1 1   42   24   10 o   84.167   15.944  3062.56  1049.71  4911.67  4688.81  2964.99  1077.05  104.943   39.867   82.590   16.636 22.35270 43.19923 
1 1 1   42   24   11 o  255.147   14.198 27301.96  2929.82 35789.73  7254.37 25647.68  3202.64  274.066   33.282  246.147   16.113 27.91934 36.97739 
1 1 1   42   24   12 o  112.531   14.135  5388.54  1263.07  6331.59  5631.71  5338.58  1296.09  111.263   43.319  111.825   14.625 -0.5620422 45.72154 
1 1 1   42   24   13 o  244.101   14.911 25316.68  2941.30 20497.81  8473.17 25976.91  3136.33  172.492   54.251  246.652   15.742 -74.16064 56.48936 
1 1 1   42   24   14 o  184.801   13.800 14534.82  2055.74 19469.86  6927.90 14058.33  2152.70  174.400   47.595  181.133   14.765 -6.733307 49.83291 
1 1 1   42   24   15 o  123.306   16.132  6697.66  1576.38   0.0000   0.0000  6697.66  1576.38  ?   ?   123.306   16.132 0.000000 16.13161 
1 1 1   42   24   16 o   30.741   14.746 -1314.2159  1061.10   0.0000   0.0000 -1314.2159  1061.10  ?   ?    30.741   14.746 0.000000 14.74592 
1 1 1   42   24   17 o  113.062   19.372  6107.46  1714.43   0.0000   0.0000  6107.46  1714.43  ?   ?   113.062   19.372 0.000000 19.37211 
1 1 1   42   26    0 f   69.635   19.161  2099.18  1117.46   0.0000   0.0000  2099.18  1117.46  ?   ?    69.635   19.161 0.000000 19.16135 
1 1 1   42   26    1 o   87.375   19.642  3328.63  1359.61   0.0000   0.0000  3328.63  1359.61  ?   ?    87.375   19.642 0.000000 19.64165 
1 1 1   42   26    2 o   87.385   19.120  3323.93  1318.92   0.0000   0.0000  3323.93  1318.92  ?   ?    87.385   19.120 0.000000 19.11999 
1 1 1   42   26    3 o  207.682   18.713 18249.66  3121.70   0.0000   0.0000 18249.66  3121.70  ?   ?   207.682   18.713 0.000000 18.71297 
1 1 1   42   26    4 o   86.955   9.6310  3136.25  668.573   0.0000   0.0000  3136.25  668.573  ?   ?    86.955   9.6310 0.000000 9.630991 
1 1 1   42   26    5 o   88.649   9.5410  3258.58  675.948 -2378.4751  4164.19  3411.13  685.034   68.505   31.698   90.743   9.4353 -22.23766 33.07280 
1 1 1   42   26    6 o  205.317   11.611 17438.69  1927.73 23065.30  6071.47 16807.88  2032.92  221.416   34.929  201.260   12.502 20.15636 37.09914 
1 1 1   42   26    7 o   68.470   12.497  1998.17  669.161  5575.01  4351.53  1911.54  677.216  109.079   38.916   66.834   12.947 42.24567 41.01327 
1 1 1   42   26    8 o  110.085   12.486  5085.23  1096.36 13027.66  4914.78  4669.30  1124.70  161.237   38.138  105.145   13.485 56.09264 40.45173 
1 1 1   42   26    9 o  185.866   13.564 14482.16  2032.97 14467.78  6823.45 14483.56  2129.70  158.287   48.506  185.579   14.242 -27.29138 50.55366 
1 1 1   42   26   10 o   27.350   12.789 -658.9812  706.131   97.209  4344.14 -679.5033  715.649   76.914   34.295   27.440   12.845 49.47464 36.62166 
1 1 1   42   26   11 o  125.835   14.354  6749.82  1440.39  6823.63  6558.66  6746.08  1476.43  112.480   45.759  125.636   14.754 -13.15618 48.07877 
1 1 1   42   26   12 o  194.132   14.754 16083.00  2308.31 16160.99  8096.02 16076.10  2408.27  148.793   53.082  193.644   15.445 -44.85097 55.28328 
1 1 1   42   26   13 o   69.862   19.914  2240.73  1184.57 11747.34  7086.99  1967.49  1201.47  126.414   48.769   65.835   20.384 60.57845 52.85710 
1 1 1   42   26   14 o  118.229   16.428  6208.98  1534.41   0.0000   0.0000  6208.98  1534.41  ?   ?   118.229   16.428 0.000000 16.42756 
1 1 1   42   26   15 o   95.276   19.490  4288.80  1456.93   0.0000   0.0000  4288.80  1456.93  ?   ?    95.276   19.490 0.000000 19.49000 
1 1 1   42   26   16 o   87.424   21.057  3823.14  1476.96   0.0000   0.0000  3823.14  1476.96  ?   ?    87.424   21.057 0.000000 21.05703 
1 1 1   42   28    0 o  221.908   19.155 21053.20  3417.55   0.0000   0.0000 21053.20  3417.55  ?   ?   221.908   19.155 0.000000 19.15493 
1 1 1   42   28    1 o  222.347   19.201 21140.64  3432.51   0.0000   0.0000 21140.64  3432.51  ?   ?   222.347   19.201 0.000000 19.20104 
1 1 1   42   28    2 o  272.956   20.926 32099.20  4602.55   0.0000   0.0000 32099.20  4602.55  ?   ?   272.956   20.926 0.000000 20.92610 
1 1 1   42   28    3 o  271.203   21.426 31819.55  4679.77   0.0000   0.0000 31819.55  4679.77  ?   ?   271.203   21.426 0.000000 21.42609 
1 1 1   42   28    4 o  362.355   17.759 55594.96  5225.16   0.0000   0.0000 55594.96  5225.16  ?   ?   362.355   17.759 0.000000 17.75936 
1 1 1   42   28    5 o  230.991   10.883 22027.54  2041.20 39519.14  7104.70 20453.82  2131.05  292.417   30.366  221.943   11.868 70.47491 32.60271 
1 1 1   42   28    6 o  119.075   9.9417  5880.71  952.427 13693.92  5500.57  5639.22  967.034  160.800   41.758  116.489   10.331 44.31068 43.01673 
1 1 1   42   28    7 o   69.539   13.545  2084.93  737.270  3984.68  4527.16  2033.17  747.246   97.019   38.513   68.562   13.899 28.45663 40.94445 
1 1 1   42   28    8 o   50.024   15.292  1065.50  678.643  2351.56  4600.42  1036.89  686.150   87.960   37.250   49.517   15.416 38.44313 40.31371 
1 1 1   42   28    9 o  132.661   12.576  7418.55  1338.41  7108.53  6584.64  7431.91  1366.94  113.299   45.939  132.675   12.850 -19.37563 47.70224 
1 1 1   42   28   10 o   92.568   15.211  3728.55  1103.60  2691.53  7308.73  3752.74  1116.40   96.268   43.570   92.821   15.349 3.447586 46.19465 
1 1 1   42   28   11 o  230.864   14.572 22806.15  2717.53 34867.76  9784.82 21798.03  2828.82  222.184   54.622  224.859   15.590 -2.674606 56.80326 
1 1 1   42   28   12 o  124.082   15.652  6752.25  1541.85   0.0000   0.0000  6752.25  1541.85  ?   ?   124.082   15.652 0.000000 15.65185 
1 1 1   42   28   13 o   43.479   17.956  412.161  1029.23   0.0000   0.0000  412.161  1029.23  ?   ?    43.479   17.956 0.000000 17.95610 
1 1 1   42   28   14 o   40.602   17.942 -62.8349  1162.73   0.0000   0.0000 -62.8349  1162.73  ?   ?    40.602   17.942 0.000000 17.94206 
1 1 1   42   28   15 o   56.290   21.331  1430.24  1340.23   0.0000   0.0000  1430.24  1340.23  ?   ?    56.290   21.331 0.000000 21.33133 
1 1 1   42   30    0 o  185.610   20.411 15092.15  3025.31   0.0000   0.0000 15092.15  3025.31  ?   ?   185.610   20.411 0.000000 20.41101 
1 1 1   42   30    1 o  293.608   23.153 38272.67  5474.88   0.0000   0.0000 38272.67  5474.88  ?   ?   293.608   23.153 0.000000 23.15295 
1 1 1   42   30    2 o  301.678   23.518 40530.85  5715.34   0.0000   0.0000 40530.85  5715.34  ?   ?   301.678   23.518 0.000000 23.51824 
1 1 1   42   30    3 o   85.709   27.736  3389.91  2202.36   0.0000   0.0000  3389.91  2202.36  ?   ?    85.709   27.736 0.000000 27.73609 
1 1 1   42   30    4 o   95.145   28.750  4320.84  2408.85   0.0000   0.0000  4320.84  2408.85  ?   ?    95.145   28.750 0.000000 28.75024 
1 1 1   42   30    5 o  155.268   10.972 10049.22  1374.32   0.0000   0.0000 10049.22  1374.32  ?   ?   155.268   10.972 0.000000 10.97170 
1 1 1   42   30    6 o  137.949   11.727  7983.23  1301.03 12572.98  7242.72  7830.19  1322.54  138.156   50.092  136.486   12.058 1.670471 51.52248 
1 1 1   42   30    7 o   63.424   13.030  1747.05  648.586  7758.01  6625.95  1688.90  651.716  114.163   46.155   62.271   13.294 51.89210 48.03128 
1 1 1   42   30    8 o   93.060   13.976  3739.08  1023.40 22782.95  7452.19  3373.03  1033.19  189.320   48.317   87.904   15.015 101.4165 50.59614 
1 1 1   42   30    9 o  114.055   13.696  5592.69  1242.99  5030.08  8013.36  5606.56  1258.22  100.520   45.547  114.121   13.863 -13.60096 47.60974 
1 1 1   42   30   10 o   83.547   17.534  3168.06  1151.55   0.0000   0.0000  3168.06  1151.55  ?   ?    83.547   17.534 0.000000 17.53402 
1 1 1   42   30   11 o   40.749   17.319  190.186  1000.37   0.0000   0.0000  190.186  1000.37  ?   ?    40.749   17.319 0.000000 17.31862 
1 1 1   42   30   12 o   90.186   19.134  3852.61  1357.74   0.0000   0.0000  3852.61  1357.74  ?   ?    90.186   19.134 0.000000 19.13393 
1 1 1   42   30   13 o   69.504   20.922  2420.03  1277.48   0.0000   0.0000  2420.03  1277.48  ?   ?    69.504   20.922 0.000000 20.92237 
1 1 1   42   30   14 o   44.391   19.708  122.822  1418.97   0.0000   0.0000  122.822  1418.97  ?   ?    44.391   19.708 0.000000 19.70847 
1 1 1   42   32    0 o   74.524   25.302  2522.10  1827.43   0.0000   0.0000  2522.10  1827.43  ?   ?    74.524   25.302 0.000000 25.30202 
1 1 1   42   32    1 o   81.299   35.074  1846.78  4217.76   0.0000   0.0000  1846.78  4217.76  ?   ?    81.299   35.074 0.000000 35.07372 
1 1 1   42   32    2 o   82.920   34.870  2415.07  3986.14   0.0000   0.0000  2415.07  3986.14  ?   ?    82.920   34.870 0.000000 34.86993 
1 1 1   42   32    3 o   70.107   31.360  175.963  3663.76   0.0000   0.0000  175.963  3663.76  ?   ?    70.107   31.360 0.000000 31.36032 
1 1 1   42   32    4 o   98.449   31.888  5000.67  2910.53   0.0000   0.0000  5000.67  2910.53  ?   ?    98.449   31.888 0.000000 31.88779 
1 1 1   42   32    5 o   80.490   10.296  2737.40  657.467   0.0000   0.0000  2737.40  657.467  ?   ?    80.490   10.296 0.000000 10.29587 
1 1 1   42   32    6 o   90.151   10.896  3443.86  781.376 15877.39  7286.62  3299.22  785.908  144.654   50.468   88.094   11.244 56.56017 51.70572 
1 1 1   42   32    7 f  141.159   11.642  8441.80  1322.50 19286.51  9428.86  8224.17  1335.70  140.437   55.634  139.169   11.936 1.267929 56.90025 
1 1 1   42   32    8 o  104.838   13.969  4792.00  1159.53   0.0000   0.0000  4792.00  1159.53  ?   ?   104.838   13.969 0.000000 13.96918 
1 1 1   42   32    9 o   93.229   15.754  3902.34  1150.03   0.0000   0.0000  3902.34  1150.03  ?   ?    93.229   15.754 0.000000 15.75353 
1 1 1   42   32   10 o  121.843   14.974  6617.81  1450.27   0.0000   0.0000  6617.81  1450.27  ?   ?   121.843   14.974 0.000000 14.97432 
1 1 1   42   32   11 o   57.201   18.649  1546.96  994.674   0.0000   0.0000  1546.96  994.674  ?   ?    57.201   18.649 0.000000 18.64855 
1 1 1   42   32   12 f   49.066   19.534  923.186  1167.63   0.0000   0.0000  923.186  1167.63  ?   ?    49.066   19.534 0.000000 19.53350 
1 1 1   42   34    0 o   77.287   28.042  2903.10  2270.37   0.0000   0.0000  2903.10  2270.37  ?   ?    77.287   28.042 0.000000 28.04186 
1 1 1   42   34    1 o   67.479   27.200  1734.22  2293.70   0.0000   0.0000  1734.22  2293.70  ?   ?    67.479   27.200 0.000000 27.19974 
1 1 1   42   34    2 o   71.006   29.476  1863.01  2794.13   0.0000   0.0000  1863.01  2794.13  ?   ?    71.006   29.476 0.000000 29.47595 
1 1 1   42   34    3 o  166.669   32.160 14939.17  4194.50   0.0000   0.0000 14939.17  4194.50  ?   ?   166.669   32.160 0.000000 32.15974 
1 1 1   42   34    4 o   52.648   24.420 -1007.6310  2493.40   0.0000   0.0000 -1007.6310  2493.40  ?   ?    52.648   24.420 0.000000 24.41984 
1 1 1   42   34    5 o   75.789   10.535  2458.28  630.767   0.0000   0.0000  2458.28  630.767  ?   ?    75.789   10.535 0.000000 10.53498 
1 1 1   42   34    6 o   57.106   11.450  1429.18  512.417   0.0000   0.0000  1429.18  512.417  ?   ?    57.106   11.450 0.000000 11.44968 
1 1 1   42   34    7 o   37.975   13.293  576.508  505.696   0.0000   0.0000  576.508  505.696  ?   ?    37.975   13.293 0.000000 13.29279 
1 1 1   42   34    8 o   84.829   14.075  3231.69  935.503   0.0000   0.0000  3231.69  935.503  ?   ?    84.829   14.075 0.000000 14.07545 
1 1 1   42   34    9 o   78.273   28.957  3683.62  2438.96   0.0000   0.0000  3683.62  2438.96  ?   ?    78.273   28.957 0.000000 28.95726 
1 1 1   42   34   10 o   23.057   11.417 -1657.1479  797.631   0.0000   0.0000 -1657.1479  797.631  ?   ?    23.057   11.417 0.000000 11.41671 
1 1 1   42   36    0 o   73.177   29.953  2761.90  2831.93   0.0000   0.0000  2761.90  2831.93  ?   ?    73.177   29.953 0.000000 29.95275 
1 1 1   42   36    1 o   70.402   29.916  2267.54  2984.04   0.0000   0.0000  2267.54  2984.04  ?   ?    70.402   29.916 0.000000 29.91624 
1 1 1   42   36    2 o   56.438   26.410 -695.2136  3020.94   0.0000   0.0000 -695.2136  3020.94  ?   ?    56.438   26.410 0.000000 26.41017 
1 1 1   42   36    3 o   49.887   23.825 -1742.5959  2704.36   0.0000   0.0000 -1742.5959  2704.36  ?   ?    49.887   23.825 0.000000 23.82462 
1 1 1   42   36    4 o   70.172   30.576  2325.91  3270.52   0.0000   0.0000  2325.91  3270.52  ?   ?    70.172   30.576 0.000000 30.57642 
1 1 1   42   36    5 o   68.936   10.757  2076.49  582.432   0.0000   0.0000  2076.49  582.432  ?   ?    68.936   10.757 0.000000 10.75659 
1 1 1   42   36    6 o   89.089   11.097  3469.42  785.354   0.0000   0.0000  3469.42  785.354  ?   ?    89.089   11.097 0.000000 11.09737 
1 1 1   42   36    7 o   48.851   13.269  1101.84  539.939   0.0000   0.0000  1101.84  539.939  ?   ?    48.851   13.269 0.000000 13.26865 
1 1 1   42   38    0 o   64.161   28.657  2193.92  3047.10   0.0000   0.0000  2193.92  3047.10  ?   ?    64.161   28.657 0.000000 28.65732 
1 1 1   42   38    1 o   57.619   27.226  339.508  3350.13   0.0000   0.0000  339.508  3350.13  ?   ?    57.619   27.226 0.000000 27.22570 
1 1 1   42   38    2 o   66.724   31.680  2483.92  4641.92   0.0000   0.0000  2483.92  4641.92  ?   ?    66.724   31.680 0.000000 31.68029 
1 1 1   42   38    3 o   73.492   34.843  5498.76  5575.05   0.0000   0.0000  5498.76  5575.05  ?   ?    73.492   34.843 0.000000 34.84281 
1 1 1   43    1    0 o  873.643   62.008 322523.69 43700.57   0.0000   0.0000 322523.69 43700.57  ?   ?   873.643   62.008 0.000000 62.00766 
1 1 1   43    1    2 o  959.199   47.079 382712.81 36666.94 382712.81 36666.94   0.0000   0.0000  959.199   47.079  ?   ?  0.000000 47.07905 
1 1 1   43    1    3 o  739.342   52.400 230582.30 31253.03 230582.30 31253.03   0.0000   0.0000  739.342   52.400  ?   ?  0.000000 52.39995 
1 1 1   43    1    4 o  162.861   10.666 10831.85  1402.66  8516.88  1843.51 14014.42  2161.54  143.687   16.077  184.951   14.510 -41.26454 21.65642 
1 1 1   43    1    5 o  482.748   20.545 95254.19  8052.95 109832.00 13807.10 87738.48  9913.83  514.570   33.224  461.531   26.567 53.03973 42.53939 
1 1 1   43    1    6 o  270.756   12.044 29835.95  2647.82 30206.16  4454.06 29633.61  3292.84  271.057   20.387  269.224   15.124 1.832703 25.38447 
1 1 1   43    1    7 o  749.526   30.765 232005.41 18723.42 224426.41 22973.63 246997.80 32311.46  732.615   38.758  759.471   52.724 -26.85571 65.43684 
1 1 1   43    1    8 o  238.857   10.121 23209.14  1962.95 22827.85  2777.47 23589.63  2774.59  236.191   14.553  240.147   14.294 -3.955475 20.39899 
1 1 1   43    1    9 o  420.717   15.013 72209.46  5128.70 74042.90  7259.92 70382.92  7246.25  425.035   21.036  413.736   21.645 11.29962 30.18351 
1 1 1   43    1   10 o  202.118   8.7529 16615.61  1436.47 15744.73  2035.08 17480.36  2027.89  196.128   12.850  206.785   12.131 -10.65742 17.67163 
1 1 1   43    1   11 o  416.818   17.714 71128.52  5995.02 70129.06 10577.78 71601.48  7276.51  408.837   32.123  416.825   21.574 -7.987701 38.69506 
1 1 1   43    1   12 o  367.980   13.813 55296.91  4127.28 54296.27  5848.43 56289.67  5825.35  362.967   19.920  369.710   19.474 -6.742432 27.85787 
1 1 1   43    1   13 o  147.738   8.6836  8917.21  1037.09  9217.08  1458.60  8610.62  1474.86  149.776   12.097  144.644   12.686 5.131927 17.52912 
1 1 1   43    1   14 o  189.139   9.5417 14629.77  1460.64 14055.61  2072.75 15196.14  2058.64  184.618   13.930  192.134   13.277 -7.516205 19.24387 
1 1 1   43    1   15 o  286.980   11.769 33768.14  2742.51 32164.82  3890.12 35352.43  3866.96  277.993   17.320  291.859   16.384 -13.86646 23.84166 
1 1 1   43    1   16 o  291.534   11.993 34953.52  2839.02 34516.16  4032.01 35383.55  3998.15  287.210   17.371  290.991   16.995 -3.781647 24.30243 
1 1 1   43    1   17 o  212.547   10.320 18555.83  1781.04 18155.53  2523.88 18952.92  2513.69  208.400   15.016  213.107   14.615 -4.707611 20.95437 
1 1 1   43    1   18 o  126.977   10.038  6673.29  1026.54  6610.97  1419.56  6741.60  1486.21  125.194   14.217  126.254   14.777 -1.060364 20.50573 
1 1 1   43    1   19 o  105.972   11.469  4708.05  971.112  4735.82  1362.02  4679.34  1384.99  104.558   16.598  103.755   17.031 0.8031540 23.78098 
1 1 1   43    1   20 o   68.381   15.275  2060.79  826.739  1743.07  1157.79  2391.34  1180.93   62.977   20.082   72.640   19.578 -9.663151 28.04644 
1 1 1   43    1   21 f   51.282   16.222  1143.76  756.667  1359.73  969.123  806.517  1211.03   55.844   18.417   50.603   19.973 5.240898 27.16803 
1 1 1   43    1   22 o  205.191   11.774 18006.76  1953.49 18679.80  2746.54 17317.68  2779.06  203.856   16.741  195.111   17.736 8.744141 24.38864 
1 1 1   43    3    0 o  380.793   19.913 59264.36  6135.38 65270.69  8659.62 53210.30  8693.96  398.619   26.912  359.164   30.089 39.45493 40.36863 
1 1 1   43    3    1 o  819.554   40.382 277451.41 26872.54 301259.81 37945.13 253496.09 38062.15  845.906   55.554  772.728   61.163 73.17828 82.62706 
1 1 1   43    3    2 o  477.241   20.597 92927.66  7981.51 88575.18  9783.31 101590.10 13801.87  464.529   26.043  495.622   34.512 -31.09277 43.23534 
1 1 1   43    3    3 o  551.099   19.745 123937.00  8835.38 118330.60 12457.82 129611.10 12532.74  536.216   28.717  562.228   27.453 -26.01172 39.72868 
1 1 1   43    3    4 o  375.561   20.219 57777.45  6143.06 63125.10  8469.69 51841.76  8923.23  391.322   26.818  353.401   31.425 37.92151 41.31227 
1 1 1   43    3    5 o  474.953   24.759 92749.13  9515.23 100789.80 13257.84 84207.64 13664.50  492.705   33.336  448.684   37.861 44.02054 50.44518 
1 1 1   43    3    6 o  453.044   24.019 84390.72  8803.92 94726.48 12261.78 73392.76 12648.48  477.866   31.783  418.505   37.624 59.36115 49.25154 
1 1 1   43    3    7 o  478.921   20.570 93847.26  7999.15 114118.30 13700.82 83363.88  9852.79  524.190   32.348  449.306   27.134 74.88373 42.22166 
1 1 1   43    3    8 o  826.766   40.867 286778.59 27434.23 295701.09 38758.29 277819.50 38837.55  824.240   58.288  796.793   60.481 27.44672 83.99715 
1 1 1   43    3    9 o  693.106   23.943 197488.00 13474.65 202936.09 19076.26 192062.91 19035.87  698.385   33.640  678.088   34.690 20.29651 48.32255 
1 1 1   43    3   10 o  195.729   9.3931 15586.56  1492.80 14305.89  1798.63 18421.67  2676.13  187.019   11.906  211.812   15.672 -24.79327 19.68152 
1 1 1   43    3   11 o  189.342   8.7641 14585.26  1347.40 15453.79  1934.19 13766.42  1878.06  194.314   12.323  183.307   12.696 11.00674 17.69312 
1 1 1   43    3   12 o  379.136   14.411 58739.33  4436.33 56481.20  6305.38 60952.95  6242.94  369.834   21.085  384.540   20.064 -14.70636 29.10550 
1 1 1   43    3   13 o  404.587   14.758 67027.70  4848.08 69293.00  6889.12 64805.17  6823.78  409.147   20.806  395.447   21.331 13.70007 29.79726 
1 1 1   43    3   14 o   34.374   13.056  341.296  502.842 -74.0611  732.284  711.894  691.703   33.860   14.611   44.256   15.543 -10.39592 21.33262 
1 1 1   43    3   15 o  206.038   9.7035 17354.30  1623.36 17645.20  2311.80 17071.33  2280.08  206.573   13.863  203.161   13.906 3.412704 19.63558 
1 1 1   43    3   16 o   34.242   13.207  320.141  519.606  513.556  672.876   34.429  817.815   40.447   15.161   36.863   15.663 3.583984 21.79846 
1 1 1   43    3   17 o  166.417   9.8811 11405.24  1329.20 11443.54  1899.65 11368.51  1860.50  165.437   14.282  164.975   14.022 0.4618835 20.01454 
1 1 1   43    3   18 f  104.717   10.536  4562.22  883.664  5285.51  1208.30  3730.57  1295.65  111.956   13.569   92.465   17.904 19.49091 22.46517 
1 1 1   43    3   19 o  176.978   10.269 12980.87  1469.29 15331.44  2082.25 10649.89  2073.56  191.003   13.513  157.710   16.434 33.29317 21.27657 
1 1 1   43    3   20 o  108.038   11.432  4918.33  987.588  4196.39  1337.02  5785.19  1465.07   97.328   17.565  115.354   16.079 -18.02610 23.81290 
1 1 1   43    3   21 o   32.241   14.267 -163.9745  737.734 -421.1244  957.129  212.402  1157.95   34.659   15.719   43.765   18.617 -9.106068 24.36588 
1 1 1   43    3   22 f  112.998   12.288  5527.54  1109.25  4685.96  1448.32  6721.63  1725.19  100.180   18.486  120.613   18.181 -20.43340 25.92819 
1 1 1   43    5    0 o  300.569   19.220 36982.39  4666.14 51270.34  6366.23 20396.22  6859.15  353.665   22.283  218.857   40.075 134.8072 45.85389 
1 1 1   43    5    1 o  548.109   39.414 124864.40 17423.85   0.0000   0.0000 124864.40 17423.85  ?   ?   548.109   39.414 0.000000 39.41381 
1 1 1   43    5    2 o  694.419   34.559 198860.41 19485.79 208728.59 27395.45 188755.80 27721.58  704.823   48.158  668.495   51.468 36.32758 70.48470 
1 1 1   43    5    3 o  779.302   31.744 250185.00 20086.82 270790.50 34508.61 239625.80 24703.07  798.600   53.528  758.354   40.262 40.24615 66.97981 
1 1 1   43    5    4 o  489.996   18.771 98026.85  7468.42 108912.90 10527.02 86995.13 10597.20  515.333   25.158  459.052   28.573 56.28107 38.07003 
1 1 1   43    5    5 o  452.945   15.903 83650.63  5848.74 83813.44  8256.83 83486.67  8285.99  452.417   22.477  450.941   22.703 1.475616 31.94724 
1 1 1   43    5    6 o   94.631   6.8061  3657.41  519.472  3179.81  719.126  4178.57  751.212   87.821   10.279  100.951   9.2681 -13.12937 13.84059 
1 1 1   43    5    7 o  507.581   21.834 105551.90  8998.72 115654.90 11011.27 85236.62 15614.29  530.428   25.567  448.306   43.440 82.12192 50.40542 
1 1 1   43    5    8 f  220.949   10.957 19868.78  1965.64 19037.87  2396.49 21576.95  3436.08  215.693   13.755  228.971   18.644 -13.27820 23.16890 
1 1 1   43    5    9 o  179.378   11.662 13158.50  1689.31 13448.26  2266.70 12796.48  2533.61  180.844   15.589  175.995   17.982 4.849258 23.79870 
1 1 1   43    5   10 o   72.686   9.1042  2182.91  525.531  1426.32  780.596  2810.12  710.733   58.193   16.016   82.363   10.895 -24.17005 19.37014 
1 1 1   43    5   11 o   44.155   12.153  819.241  449.470  694.535  632.214  946.693  639.135   43.260   14.879   48.198   14.858 -4.938198 21.02688 
1 1 1   43    5   12 o  654.226   27.491 178108.20 14603.65 159586.70 25632.23 187009.80 17769.74  597.731   53.375  666.930   32.814 -69.19928 62.65482 
1 1 1   43    5   13 o   99.307   8.8822  4048.88  708.644  4572.63  1026.52  3572.02  979.483  105.096   12.260   92.507   13.433 12.58839 18.18636 
1 1 1   43    5   14 o  257.122   10.781 27023.13  2250.70 27869.93  3227.24 26221.24  3140.48  259.780   15.368  251.936   15.426 7.843689 21.77512 
1 1 1   43    5   15 o  155.138   8.9751  9864.42  1125.73 10204.52  1616.06  9543.83  1569.04  157.047   12.784  151.831   12.848 5.216202 18.12466 
1 1 1   43    5   16 o  171.622   9.5975 12099.93  1332.06 12574.68  1901.03 11641.97  1867.08  173.967   13.565  167.263   13.873 6.704361 19.40282 
1 1 1   43    5   17 o   73.121   12.423  2267.52  711.173  2597.77  980.164  1900.39  1033.45   77.489   16.104   66.126   18.514 11.36327 24.53770 
1 1 1   43    5   18 o   40.363   14.355  594.881  591.693 -35.9370  742.641  1691.37  979.104   34.206   14.737   62.397   18.201 -28.19081 23.41925 
1 1 1   43    5   19 o  106.801   10.360  4758.35  887.133  5287.13  1215.78  4156.20  1297.39  111.566   13.709   97.559   16.996 14.00690 21.83587 
1 1 1   43    5   20 o  131.330   9.9594  7192.33  1054.12  5861.80  1430.11  8775.13  1559.81  116.269   15.537  143.607   13.537 -27.33842 20.60686 
1 1 1   43    5   21 o   70.897   13.921  2218.13  772.800  2480.92  945.497  1689.25  1341.33   74.191   16.153   61.886   21.650 12.30527 27.01194 
1 1 1   43    5   22 o   95.612   13.037  4012.94  985.754  3875.90  1250.00  4238.33  1603.11   91.345   17.490   92.611   21.698 -1.266678 27.86996 
1 1 1   43    7    0 o  471.281   34.476 92111.85 13101.26   0.0000   0.0000 92111.85 13101.26  ?   ?   471.281   34.476 0.000000 34.47620 
1 1 1   43    7    1 o  845.315   61.143 306953.31 41683.34   0.0000   0.0000 306953.31 41683.34  ?   ?   845.315   61.143 0.000000 61.14293 
1 1 1   43    7    2 o  518.539   26.171 110576.10 10983.33 114551.70 15666.46 106733.30 15402.46  524.495   37.025  505.937   37.766 18.55759 52.88726 
1 1 1   43    7    3 f  233.425   11.973 22230.67  2261.74 24692.08  2752.72 17116.44  3967.89  245.845   13.846  202.889   24.588 42.95589 28.21857 
1 1 1   43    7    4 o  633.158   23.364 164286.00 12011.71 180040.41 16952.17 148401.00 17022.29  660.267   31.620  597.253   35.257 63.01440 47.35967 
1 1 1   43    7    5 o  551.727   19.814 124452.20  8876.48 136721.09 12536.15 112116.10 12570.40  576.621   26.775  520.547   29.866 56.07428 40.11079 
1 1 1   43    7    6 o  387.402   14.009 61156.08  4406.78 65932.59  6240.20 56404.19  6224.10  401.605   19.136  370.662   20.764 30.94296 28.23735 
1 1 1   43    7    7 o  315.433   12.130 40514.50  3106.87 43493.05  4407.82 37573.57  4379.88  325.969   16.710  302.723   17.898 23.24631 24.48612 
1 1 1   43    7    8 o  285.509   11.967 33197.55  2774.16 37502.84  3943.05 28977.65  3903.75  302.653   16.103  265.590   18.212 37.06354 24.31053 
1 1 1   43    7    9 o   96.324   10.715  3823.59  823.821  3823.59  823.821   0.0000   0.0000   96.324   10.715  ?   ?  0.000000 10.71477 
1 1 1   43    7   10 o  309.896   14.631 39211.14  3681.42 40930.96  4519.97 35821.93  6345.16  315.721   17.703  293.052   26.969 22.66882 32.26003 
1 1 1   43    7   11 o  485.552   24.092 97377.63  9498.14 93652.73 13275.30 101284.20 13595.21  470.591   34.993  489.802   34.403 -19.21057 49.07178 
1 1 1   43    7   12 f  229.828   11.110 21539.19  2073.30 23137.65  3432.05 20620.65  2601.68  236.701   17.992  224.092   14.374 12.60901 23.02891 
1 1 1   43    7   13 o  425.677   17.992 74684.87  6218.62 80690.64 10597.31 71530.64  7679.94  435.695   30.141  414.071   22.932 21.62378 37.87258 
1 1 1   43    7   14 o  129.100   8.3056  6824.35  866.009  5873.28  1253.69  7692.32  1197.67  118.903   13.209  136.705   10.880 -17.80170 17.11267 
1 1 1   43    7   15 o  146.191   8.7869  8763.29  1038.18  9455.96  1483.73  8098.87  1453.15  151.210   12.188  139.693   12.959 11.51791 17.79013 
1 1 1   43    7   16 o  181.667   9.8277 13568.13  1444.27 15004.12  2061.56 12184.05  2023.96  190.060   13.446  170.774   14.741 19.28583 19.95171 
1 1 1   43    7   17 o  158.094   9.3952 10291.60  1200.62 10290.87  1700.69 10292.32  1695.19  156.937   13.477  156.963   13.430 -0.2601624E-01 19.02636 
1 1 1   43    7   18 o   80.075   11.717  2708.30  739.279  3458.14  971.690  1677.72  1139.17   90.110   13.713   62.644   19.914 27.46549 24.17889 
1 1 1   43    7   19 o   74.900   11.756  2386.61  691.402  2242.10  895.487  2599.92  1087.96   71.402   15.858   76.418   17.856 -5.015129 23.88118 
1 1 1   43    7   20 o   35.736   14.367  287.843  638.181  878.516  783.142 -879.7477  1101.06   47.139   16.540   34.493   16.076 12.64584 23.06499 
1 1 1   43    7   21 o   91.748   11.682  3609.93  850.523  3832.57  1043.16  3168.45  1468.96   93.450   14.194   81.090   21.827 12.35992 26.03681 
1 1 1   43    7   22 o   68.586   15.423  2165.30  838.046  2809.80  1020.56  830.943  1468.47   77.673   16.680   51.890   21.440 25.78289 27.16453 
1 1 1   43    9    0 o  120.074   15.911  5979.61  1513.06   0.0000   0.0000  5979.61  1513.06  ?   ?   120.074   15.911 0.000000 15.91108 
1 1 1   43    9    1 o  690.536   50.024 202715.91 27857.85   0.0000   0.0000 202715.91 27857.85  ?   ?   690.536   50.024 0.000000 50.02376 
1 1 1   43    9    2 o  376.631   19.921 58147.09  6070.30 63110.84  8724.01 53488.21  8451.85  390.725   27.677  359.164   29.235 31.56131 40.25839 
1 1 1   43    9    3 o  399.093   20.620 65324.87  6659.14 73605.63  9566.94 57542.20  9274.75  421.934   28.085  372.075   30.981 49.85843 41.81651 
1 1 1   43    9    4 o  284.851   13.081 33045.21  3025.43 35075.17  5428.03 32130.38  3643.95  291.613   23.114  280.200   16.084 11.41342 28.15902 
1 1 1   43    9    5 o  512.018   19.456 107206.80  8088.64 119329.40 11416.64 94988.45 11461.64  538.640   26.104  478.819   29.626 59.82095 39.48555 
1 1 1   43    9    6 o  612.802   25.675 154493.30 12775.26 164764.00 15658.82 134049.30 22092.48  631.114   30.557  559.259   49.150 71.85553 57.87453 
1 1 1   43    9    7 o  681.945   23.501 191064.09 13012.67 200362.30 18428.15 181817.00 18377.36  694.514   32.679  659.958   34.414 34.55646 47.45745 
1 1 1   43    9    8 o  833.558   29.227 287754.50 19781.40 309605.50 28011.36 266016.31 27939.02  857.091   40.250  790.867   43.677 66.22394 59.39522 
1 1 1   43    9    9 o  374.954   17.241 57514.93  5248.91 61024.86  6450.27 50634.64  9030.94  385.040   20.708  347.098   32.419 37.94266 38.46822 
1 1 1   43    9   10 o  132.355   7.5563  7146.64  808.687  6534.65  1141.44  7763.41  1145.89  126.145   11.263  137.691   10.325 -11.54600 15.27879 
1 1 1   43    9   11 o  157.762   9.8523 10175.59  1255.74  9747.50  1524.56 11078.75  2214.42  154.088   12.288  163.581   16.916 -9.493256 20.90816 
1 1 1   43    9   12 o  229.840   12.313 21638.72  2289.56 23177.72  2823.06 18680.93  3913.67  237.455   14.715  211.032   23.224 26.42227 27.49344 
1 1 1   43    9   13 o   96.812   11.161  3880.71  861.263  4254.23  1048.40  3105.42  1510.43  101.077   13.081   84.779   21.815 16.29829 25.43657 
1 1 1   43    9   14 o  238.365   11.357 23283.55  2198.18 23194.97  3607.14 23335.87  2772.44  235.230   19.049  237.535   14.443 -2.304810 23.90558 
1 1 1   43    9   15 o   57.683   12.347  1420.41  560.828  2351.59  766.003  344.555  823.359   74.474   13.148   40.728   16.339 33.74617 20.97201 
1 1 1   43    9   16 o  259.651   11.036 27734.56  2326.61 28849.27  3351.02 26697.12  3232.81  262.587   15.790  252.542   15.846 10.04443 22.37010 
1 1 1   43    9   17 o  196.891   10.002 15983.88  1593.72 15827.97  2279.21 16133.03  2229.33  194.275   14.554  196.348   14.077 -2.073242 20.24814 
1 1 1   43    9   18 o  202.660   10.867 17032.72  1781.61 17406.95  2558.88 16680.63  2482.03  202.612   15.676  198.396   15.532 4.216660 22.06743 
1 1 1   43    9   19 o  110.994   10.233  5144.92  911.855  3840.37  1218.45  6805.65  1374.76   93.553   16.651  126.548   13.592 -32.99441 21.49400 
1 1 1   43    9   20 o  135.513   10.627  7710.41  1159.94  7941.91  1525.31  7392.94  1786.23  135.921   14.022  129.164   17.481 6.757080 22.40990 
1 1 1   43    9   21 o  137.606   10.823  8032.20  1199.46  7382.14  1537.02  9044.68  1918.19  129.460   14.893  141.838   16.994 -12.37825 22.59665 
1 1 1   43    9   22 o  115.752   11.500  5809.25  1066.52  5008.06  1331.72  7242.12  1780.93  104.221   16.268  123.847   18.258 -19.62617 24.45424 
1 1 1   43   11    0 o  337.612   26.464 47167.66  7196.53   0.0000   0.0000 47167.66  7196.53  ?   ?   337.612   26.464 0.000000 26.46421 
1 1 1   43   11    1 o  502.908   37.078 105880.50 15033.86   0.0000   0.0000 105880.50 15033.86  ?   ?   502.908   37.078 0.000000 37.07813 
1 1 1   43   11    2 o  497.811   25.528 102117.10 10283.77 106069.90 14696.19 98324.46 14395.36  503.688   36.175  484.587   36.862 19.10010 51.64729 
1 1 1   43   11    3 o  630.912   46.596 169210.50 23701.15 169210.50 23701.15   0.0000   0.0000  630.912   46.596  ?   ?  0.000000 46.59576 
1 1 1   43   11    4 o  511.074   24.851 107354.10 10312.71 122127.80 14833.95 93534.42 14346.97  541.273   33.924  471.913   37.758 69.35971 50.75922 
1 1 1   43   11    5 o  471.428   18.969 90907.11  7261.14 102154.80 12882.92 85670.48  8790.40  495.294   32.209  456.069   23.820 39.22531 40.06055 
1 1 1   43   11    6 o  872.362   35.206 317441.31 24937.27 310595.31 43523.90 320787.09 30426.65  834.989   64.701  871.232   43.011 -36.24371 77.69313 
1 1 1   43   11    7 o  710.833   24.779 208127.30 14302.04 218036.20 20252.01 198268.91 20200.36  722.694   34.512  687.277   36.327 35.41687 50.10773 
1 1 1   43   11    8 o  445.692   20.463 81513.74  7405.29 77157.30 12572.96 83827.75  9163.33  427.247   36.596  450.078   25.175 -22.83096 44.41898 
1 1 1   43   11    9 o  167.054   8.4739 11381.72  1145.66 10244.09  1374.24 13974.11  2074.48  158.228   10.760  184.505   13.950 -26.27698 17.61812 
1 1 1   43   11   10 o   94.335   7.2149  3639.92  548.449  2168.48  711.567  5793.37  860.821   71.859   12.658  118.970   8.9773 -47.11171 15.51815 
1 1 1   43   11   11 o   27.149   10.176  221.930  303.167 -29.0712  346.923  1032.95  623.609   23.498   10.098   49.789   14.526 -26.29078 17.69122 
1 1 1   43   11   12 o  434.921   16.738 77831.05  5910.98 75322.12  8418.27 80270.98  8301.71  423.966   24.559  438.331   23.410 -14.36514 33.92919 
1 1 1   43   11   13 o  172.208   9.1740 12139.15  1278.15 11541.12  1547.95 13420.43  2265.79  167.514   11.449  179.738   15.682 -12.22415 19.41711 
1 1 1   43   11   14 o   15.576   7.6448 -672.9848  331.918 -614.7603  350.519 -1178.3130  1032.63   16.734   8.1348   31.871   15.076 -15.13690 17.13115 
1 1 1   43   11   15 o   86.349   10.755  3107.48  737.711  2421.56  858.964  5035.62  1440.15   75.222   14.590  108.671   16.868 -33.44917 22.30246 
1 1 1   43   11   16 o  224.839   11.657 20909.22  2120.83 23685.46  3356.56 19064.34  2736.22  236.626   17.596  212.952   15.940 23.67361 23.74243 
1 1 1   43   11   17 o   54.452   12.244  1276.35  528.187  1742.14  645.852  335.688  917.814   63.662   12.936   42.029   17.110 21.63233 21.44971 
1 1 1   43   11   18 o  125.196   10.170  6517.84  1024.85 10251.65  1413.52  2379.81  1488.07  156.845   11.172   72.965   22.701 83.87975 25.30094 
1 1 1   43   11   19 o   34.807   12.918  406.184  486.139  447.811  580.338  308.255  890.112   37.249   14.056   40.782   16.754 -3.532726 21.86934 
1 1 1   43   11   20 o   91.387   9.9804  3522.81  728.545  3918.45  884.099  2685.69  1286.02   95.836   11.597   75.643   20.449 20.19276 23.50895 
1 1 1   43   11   21 o   88.092   11.565  3354.56  807.236  3628.70  955.009  2668.58  1510.70   90.801   13.352   73.113   22.893 17.68786 26.50231 
1 1 1   43   13    0 o  408.807   31.270 69623.52 10301.07   0.0000   0.0000 69623.52 10301.07  ?   ?   408.807   31.270 0.000000 31.27026 
1 1 1   43   13    1 o  382.341   29.539 60773.80  9099.17   0.0000   0.0000 60773.80  9099.17  ?   ?   382.341   29.539 0.000000 29.53891 
1 1 1   43   13    2 o  787.833   39.917 261067.80 25451.57 257797.41 36176.96 264272.91 35813.70  767.854   58.464  778.818   57.030 -10.96454 81.67329 
1 1 1   43   13    3 o  261.146   15.942 27940.65  3364.09 28934.36  4927.24 27072.93  4604.27  264.458   23.180  255.909   22.383 8.548676 32.22313 
1 1 1   43   13    4 o  246.104   11.624 24663.20  2322.76 26122.26  4404.18 24100.99  2733.88  251.420   21.789  242.729   13.930 8.690521 25.86135 
1 1 1   43   13    5 f  199.592   10.250 16255.23  1655.50 18156.24  3272.93 15601.65  1919.10  209.678   19.445  195.323   12.161 14.35472 22.93487 
1 1 1   43   13    6 o  235.781   11.977 22707.42  2285.49 20980.79  4394.92 23347.43  2675.75  224.397   24.520  238.847   13.857 -14.44965 28.16450 
1 1 1   43   13    7 o  336.039   14.117 46085.96  3851.77 55567.83  7137.90 42190.61  4575.06  366.397   24.128  320.579   17.644 45.81787 29.89084 
1 1 1   43   13    8 o  574.015   22.158 135646.59 10327.61 158350.59 18402.46 125208.30 12477.86  611.529   37.239  548.511   28.111 63.01788 46.65784 
1 1 1   43   13    9 o  481.687   24.593 96222.37  9586.55 103157.10 11748.36 82404.23 16583.88  496.641   29.263  433.078   47.966 63.56369 56.18809 
1 1 1   43   13   10 o  345.970   12.059 48851.40  3387.47 46442.16  4824.49 51194.12  4757.42  335.848   17.755  353.341   16.582 -17.49319 24.29403 
1 1 1   43   13   11 f  122.172   7.6858  6099.74  758.545  6072.23  1028.41  6132.56  1123.35  121.545   10.524  122.012   11.474 -0.4666519 15.56961 
1 1 1   43   13   12 o   52.562   8.8756  1157.62  365.311  1624.17  442.447  158.339  647.521   62.470   8.9810   34.720   14.280 27.74955 16.86933 
1 1 1   43   13   13 o  257.309   10.337 27100.92  2159.71 26443.06  3096.84 27723.83  3013.46  252.548   15.172  258.877   14.393 -6.329163 20.91324 
1 1 1   43   13   14 o  270.953   10.383 30106.26  2284.22 28320.93  3298.20 31751.93  3166.57  260.708   15.653  276.740   14.139 -16.03238 21.09366 
1 1 1   43   13   15 f   94.021   9.6929  3663.63  729.363  3057.64  816.574  6054.70  1622.03   85.277   12.135  119.045   17.286 -33.76830 21.12041 
1 1 1   43   13   16 o  253.038   13.020 26642.04  2666.02 27713.40  3289.03 24589.54  4552.43  256.595   15.864  236.288   24.064 20.30705 28.82263 
1 1 1   43   13   17 o  179.917   12.071 13501.05  1753.19 13329.65  2165.62 13827.01  2986.47  177.411   15.180  177.386   21.152 0.2438354E-01 26.03519 
1 1 1   43   13   18 o  135.989   9.3625  7669.44  1027.49  7211.73  1373.60  8250.90  1548.20  130.524   13.139  139.379   13.864 -8.854691 19.10128 
1 1 1   43   13   19 o  166.154   9.5986 11495.63  1289.45 10147.61  1727.25 13192.68  1938.01  153.931   13.972  175.832   13.682 -21.90170 19.55527 
1 1 1   43   13   20 o   61.677   12.330  1669.46  595.883  2007.43  680.644  560.323  1233.02   67.580   12.874   47.804   19.688 19.77609 23.52398 
1 1 1   43   13   21 o  103.160   10.697  4570.56  882.981  4861.14  1062.32  3921.17  1588.08  105.297   12.680   87.953   22.228 17.34460 25.59001 
1 1 1   43   15    0 o  104.659   20.666  4645.61  1693.88   0.0000   0.0000  4645.61  1693.88  ?   ?   104.659   20.666 0.000000 20.66621 
1 1 1   43   15    1 o  201.607   20.482 16831.75  3306.28   0.0000   0.0000 16831.75  3306.28  ?   ?   201.607   20.482 0.000000 20.48177 
1 1 1   43   15    2 o  447.485   33.950 83973.22 12243.42   0.0000   0.0000 83973.22 12243.42  ?   ?   447.485   33.950 0.000000 33.94957 
1 1 1   43   15    3 o  106.941   14.126  4745.55  1196.57  3300.57  1837.35  5809.77  1576.80   88.253   24.678  118.036   16.938 -29.78259 29.93105 
1 1 1   43   15    4 o  417.118   15.354 71056.99  5200.06 77473.16 10698.69 69072.39  5950.18  430.687   30.797  410.827   17.837 19.85962 35.58958 
1 1 1   43   15    5 o  239.532   11.955 23381.58  2325.14 22148.97  4520.10 23825.09  2711.37  230.509   24.527  241.239   13.901 -10.73018 28.19244 
1 1 1   43   15    6 o  697.337   27.680 201648.59 15672.94 207637.09 27649.80 198813.50 19024.49  690.338   49.660  688.743   34.019 1.594788 60.19426 
1 1 1   43   15    7 o  219.656   10.504 19652.83  1873.50 28108.72  3750.19 16840.58  2162.72  261.308   17.781  202.717   13.212 58.59114 22.15182 
1 1 1   43   15    8 f  429.702   16.982 75665.80  5925.02 91248.63 10869.77 69078.49  7067.25  467.006   28.806  408.935   21.358 58.07101 35.86043 
1 1 1   43   15    9 o  132.437   14.725  7264.42  1556.63  5823.86  2640.13  8032.06  1927.25  115.818   28.312  138.812   17.487 -22.99429 33.27734 
1 1 1   43   15   10 o  202.871   11.597 16864.36  1902.46 16664.21  4030.09 16921.75  2158.06  198.180   25.646  202.948   13.167 -4.768433 28.82892 
1 1 1   43   15   11 o  308.490   14.460 39109.13  3622.02 39623.29  7068.27 38926.04  4217.90  303.836   29.003  306.611   17.009 -2.774658 33.62253 
1 1 1   43   15   12 o  197.472   11.585 16043.31  1849.45 18569.76  4141.46 15413.97  2067.00  207.770   25.054  193.149   13.260 14.62152 28.34701 
1 1 1   43   15   13 o  161.926   8.5709 10745.24  1122.88 11122.24  1548.48 10327.14  1630.69  164.101   11.698  157.817   12.837 6.283661 17.36741 
1 1 1   43   15   14 o  138.361   8.3934  7858.78  938.494  8310.15  1264.96  7306.13  1399.70  141.726   11.080  132.299   13.206 9.426804 17.23903 
1 1 1   43   15   15 o  258.705   11.013 27587.35  2313.39 29312.08  3351.34 26017.50  3197.33  264.206   15.692  248.749   15.914 15.45694 22.34946 
1 1 1   43   15   16 o   36.402   11.141  549.740  360.106  369.887  394.957  1436.05  876.764   32.494   11.710   57.757   17.321 -25.26362 20.90807 
1 1 1   43   15   17 o  157.213   21.032 10970.59  2617.52 10970.59  2617.52   0.0000   0.0000  157.213   21.032  ?   ?  0.000000 21.03224 
1 1 1   43   15   18 o   85.810   10.138  3096.58  692.706  3317.60  736.149  1388.05  2046.72   88.778   10.410   64.659   25.823 24.11904 27.84269 
1 1 1   43   15   19 o   60.717   10.497  1583.11  498.800  1454.32  552.090  2155.28  1163.68   57.661   12.174   68.142   19.833 -10.48055 23.27108 
1 1 1   43   15   20 o   30.660   11.656  300.331  401.004   49.664  424.842  2347.90  1214.22   26.730   11.320   69.729   20.248 -42.99825 23.19783 
1 1 1   43   17    0 o  264.851   15.934 28778.04  3410.64   0.0000   0.0000 28778.04  3410.64  ?   ?   264.851   15.934 0.000000 15.93392 
1 1 1   43   17    1 o  262.731   15.687 28311.52  3331.29   0.0000   0.0000 28311.52  3331.29  ?   ?   262.731   15.687 0.000000 15.68734 
1 1 1   43   17    2 o  369.784   16.035 55908.83  4814.55   0.0000   0.0000 55908.83  4814.55  ?   ?   369.784   16.035 0.000000 16.03499 
1 1 1   43   17    3 o   79.680   8.4204  2611.43  536.530  4135.39  1665.36  2434.93  566.748   98.428   21.444   76.797   9.2768 21.63084 23.36487 
1 1 1   43   17    4 o  215.998   10.271 18999.47  1801.43 20942.68  4072.28 18526.69  2008.66  224.360   22.665  212.884   11.665 11.47607 25.49032 
1 1 1   43   17    5 o  100.953   9.6390  4186.79  780.508  4792.87  1871.23  4059.14  858.781  105.901   22.458   99.231   10.835 6.670349 24.93489 
1 1 1   43   17    6 o  308.511   13.727 38875.37  3438.73 41999.68  6593.35 37707.98  4030.28  317.271   25.818  303.013   16.442 14.25882 30.60906 
1 1 1   43   17    7 o  477.283   19.755 93746.15  7655.75 96822.05 13918.90 92411.98  9166.94  476.321   36.261  471.789   24.009 4.531891 43.48911 
1 1 1   43   17    8 o  519.210   21.754 111504.00  9171.02 114957.20 16599.68 109986.90 11002.69  514.717   40.033  512.746   26.518 1.970764 48.01980 
1 1 1   43   17    9 o  209.885   12.153 18069.69  2062.23 13392.93  4275.79 19487.36  2354.14  175.313   31.180  217.758   13.379 -42.44548 33.92934 
1 1 1   43   17   10 o  132.665   10.826  7242.91  1156.06  6359.92  2688.87  7443.14  1280.45  120.073   28.081  134.320   11.862 -14.24721 30.48345 
1 1 1   43   17   11 o  160.929   11.506 10671.89  1493.50 10610.80  3667.16 10684.04  1635.26  154.135   30.382  160.779   12.628 -6.643768 32.90153 
1 1 1   43   17   12 o   64.238   15.898  1780.01  824.769  4106.99  3150.44  1608.80  854.573   97.624   33.221   61.187   16.724 36.43731 37.19308 
1 1 1   43   17   13 o  310.414   14.752 40022.01  3718.30 48720.06  7819.63 37480.69  4226.73  330.610   29.437  298.564   17.512 32.04620 34.25242 
1 1 1   43   17   14 o  150.722   11.992  9442.71  1455.44 10247.58  4377.69  9342.68  1543.22  144.406   37.129  149.669   12.823 -5.262497 39.28055 
1 1 1   43   17   15 o   80.067   16.277  2790.77  1022.12  3870.69  3345.57  2679.60  1073.44   93.528   34.024   78.138   17.369 15.39059 38.20134 
1 1 1   43   17   16 o   33.504   15.082 -369.9812  862.084 -5319.4058  4495.49 -181.0208  878.386   61.095   29.566   35.579   15.665 25.51585 33.45922 
1 1 1   43   17   17 o  103.158   16.335  4650.99  1322.68  5235.85  5516.86  4615.33  1362.41  101.923   41.773  102.481   16.967 -0.5575409 45.08696 
1 1 1   43   17   18 o   25.937   10.160  173.031  311.239   60.125  328.577  1158.93  970.948   24.170   10.077   52.897   18.425 -28.72695 21.00022 
1 1 1   43   17   19 o  115.278   10.429  5632.32  965.570  5564.45  1046.90  6018.94  2498.67  114.089   11.456  106.103   28.429 7.986526 30.65023 
1 1 1   43   17   20 o   56.506   11.612  1416.00  514.943  1514.43  528.951 -368.9861  2252.48   58.508   11.544   51.246   23.569 7.262436 26.24410 
1 1 1   43   19    0 o  210.725   14.597 18236.59  2482.22   0.0000   0.0000 18236.59  2482.22  ?   ?   210.725   14.597 0.000000 14.59718 
1 1 1   43   19    1 o  130.181   13.200  6988.63  1375.97   0.0000   0.0000  6988.63  1375.97  ?   ?   130.181   13.200 0.000000 13.19988 
1 1 1   43   19    2 o  212.600   11.842 18489.85  2036.14   0.0000   0.0000 18489.85  2036.14  ?   ?   212.600   11.842 0.000000 11.84219 
1 1 1   43   19    3 o  471.294   16.966 91034.57  6492.31 93285.65 13612.73 90371.78  7386.51  468.162   36.089  468.895   19.401 -0.7329102 40.97327 
1 1 1   43   19    4 f  545.635   20.272 122566.30  8981.04 119858.10 18487.04 123402.90 10274.98  524.966   43.770  546.338   23.162 -21.37299 49.52067 
1 1 1   43   19    5 f  541.480   20.375 120823.50  8958.27 121460.40 18383.00 120625.10 10258.81  527.968   43.261  539.759   23.408 -11.79150 49.18811 
1 1 1   43   19    6 o  486.927   19.977 97777.38  7898.22 102791.60 14465.43 95647.55  9427.55  489.172   36.686  479.240   24.307 9.932465 44.00827 
1 1 1   43   19    7 o  344.122   15.334 48585.19  4284.45 48327.79  8240.50 48680.54  5015.68  336.858   30.457  343.312   18.056 -6.454498 35.40734 
1 1 1   43   19    8 o  315.988   19.625 41528.30  5010.32 42168.30  7610.80 41038.78  6656.11  313.375   30.288  311.039   26.611 2.335724 40.31818 
1 1 1   43   19    9 o  324.984   15.619 43571.67  4121.46 44981.16  8286.23 43108.35  4750.79  320.696   32.260  321.835   18.255 -1.139221 37.06661 
1 1 1   43   19   10 o   98.550   12.085  4046.57  946.743  4736.72  2942.00  3966.85  999.933  103.264   31.885   97.372   12.970 5.891739 34.42173 
1 1 1   43   19   11 o  207.885   13.074 17893.59  2195.67 16114.05  5396.46 18246.63  2403.62  185.214   37.176  209.566   14.210 -24.35246 39.79897 
1 1 1   43   19   12 o  212.334   12.471 18672.90  2140.74 23317.88  5150.83 17703.05  2353.64  228.634   28.354  206.143   14.147 22.49121 31.68776 
1 1 1   43   19   13 o   70.587   15.687  2161.96  875.758 -5722.6191  3229.36  2787.84  909.854   48.770   23.918   80.699   14.414 -31.92942 27.92577 
1 1 1   43   19   14 o   69.600   16.295  2118.92  904.603  4441.05  3567.46  1959.35  935.167   98.403   35.222   66.819   17.150 31.58389 39.17578 
1 1 1   43   19   15 o   90.602   17.053  3594.72  1208.50  1337.55  4766.23  3749.80  1249.33   84.525   36.869   92.504   17.268 -7.978813 40.71251 
1 1 1   43   19   16 o  200.578   14.017 17053.62  2268.44 22055.91  6682.83 16402.19  2411.62  197.774   42.853  195.921   15.280 1.852463 45.49626 
1 1 1   43   19   17 o   95.865   16.421  4068.91  1232.19  3445.52  5707.00  4099.39  1261.96   91.343   40.079   96.056   16.791 -4.713158 43.45477 
1 1 1   43   19   18 o   36.824   16.529 -297.8872  1027.15   0.0000   0.0000 -297.8872  1027.15  ?   ?    36.824   16.529 0.000000 16.52907 
1 1 1   43   19   19 o   39.895   18.125 -387.1891  1279.55   0.0000   0.0000 -387.1891  1279.55  ?   ?    39.895   18.125 0.000000 18.12491 
1 1 1   43   21    0 o  711.697   36.244 216528.80 20874.91   0.0000   0.0000 216528.80 20874.91  ?   ?   711.697   36.244 0.000000 36.24355 
1 1 1   43   21    1 o  454.837   24.797 86219.56  9123.23   0.0000   0.0000 86219.56  9123.23  ?   ?   454.837   24.797 0.000000 24.79689 
1 1 1   43   21    2 o  238.773   12.375 23346.82  2390.97   0.0000   0.0000 23346.82  2390.97  ?   ?   238.773   12.375 0.000000 12.37494 
1 1 1   43   21    3 o   91.740   8.5386  3456.45  628.735   0.0000   0.0000  3456.45  628.735  ?   ?    91.740   8.5386 0.000000 8.538589 
1 1 1   43   21    4 o   98.151   9.0737  3958.21  714.947  2763.99  2415.28  4072.90  748.490   84.375   29.078   99.535   9.3716 -15.15948 30.55073 
1 1 1   43   21    5 o  261.580   12.278 27979.65  2607.71 25891.74  5912.60 28483.87  2905.56  245.599   30.291  263.364   13.634 -17.76514 33.21809 
1 1 1   43   21    6 o  339.650   15.040 47415.47  4147.89 45998.22  8202.01 47902.48  4808.04  326.694   31.303  340.243   17.462 -13.54916 35.84461 
1 1 1   43   21    7 o  160.888   17.346 10829.01  2230.11 10265.61  3953.94 11091.85  2700.68  151.183   33.125  161.753   21.062 -10.56966 39.25438 
1 1 1   43   21    8 o  270.079   12.982 29993.21  2846.90 45682.75  6418.44 26150.48  3176.46  327.379   24.319  251.003   15.664 76.37567 28.92737 
1 1 1   43   21    9 o  230.370   12.603 21910.80  2348.56 31493.52  5706.51 19956.69  2576.91  269.261   26.442  219.209   14.561 50.05214 30.18608 
1 1 1   43   21   10 o  345.581   15.624 49676.11  4384.20 66232.31  9154.89 44749.26  4994.10  386.632   29.382  325.664   18.969 60.96771 34.97285 
1 1 1   43   21   11 o  173.471   12.376 12489.80  1731.69 15824.67  5054.13 12046.23  1843.26  182.792   35.331  170.007   13.463 12.78590 37.80919 
1 1 1   43   21   12 o  120.384   13.070  6079.40  1257.01  5649.79  4718.58  6112.22  1304.13  109.907   40.342  120.568   13.557 -10.66114 42.55921 
1 1 1   43   21   13 o   48.987   17.629  883.771  894.819 -1284.4070  4472.99  974.159  913.280   73.430   33.564   50.543   17.850 22.88752 38.01532 
1 1 1   43   21   14 o   52.642   18.505  1084.67  980.549  3346.03  4887.05  989.813  1000.90   94.102   39.016   51.488   18.628 42.61412 43.23536 
1 1 1   43   21   15 o  112.290   14.427  5409.62  1284.96 10239.30  4971.71  5063.91  1330.15  133.336   41.495  108.106   15.605 25.22929 44.33247 
1 1 1   43   21   16 o   29.984   14.273 -1109.3690  954.169 -934.0145  5788.23 -1114.2670  967.404   77.833   36.465   30.241   14.389 47.59203 39.20113 
1 1 1   43   21   17 f  114.136   17.446  5873.67  1565.45   0.0000   0.0000  5873.67  1565.45  ?   ?   114.136   17.446 0.000000 17.44594 
1 1 1   43   21   18 o   90.989   21.469  4082.97  1560.47   0.0000   0.0000  4082.97  1560.47  ?   ?    90.989   21.469 0.000000 21.46851 
1 1 1   43   23    0 o  280.091   18.093 32512.54  4092.87   0.0000   0.0000 32512.54  4092.87  ?   ?   280.091   18.093 0.000000 18.09330 
1 1 1   43   23    1 o   91.178   17.037  3532.56  1214.96   0.0000   0.0000  3532.56  1214.96  ?   ?    91.178   17.037 0.000000 17.03745 
1 1 1   43   23    2 o  478.720   26.637 96876.41 10312.79   0.0000   0.0000 96876.41 10312.79  ?   ?   478.720   26.637 0.000000 26.63657 
1 1 1   43   23    3 o  257.199   11.858 27075.13  2476.40   0.0000   0.0000 27075.13  2476.40  ?   ?   257.199   11.858 0.000000 11.85803 
1 1 1   43   23    4 f  252.994   10.370 26163.16  2130.16 39507.80  5766.40 24054.34  2292.30  305.867   23.396  242.368   11.648 63.49931 26.13518 
1 1 1   43   23    5 o  485.952   18.036 98091.45  7116.55 116181.10 15188.81 93003.24  8055.48  509.815   36.943  471.253   21.052 38.56232 42.52014 
1 1 1   43   23    6 o  176.647   15.693 13013.11  2227.45 17373.22  4418.41 11527.42  2579.18  199.087   28.115  164.923   19.647 34.16415 34.29975 
1 1 1   43   23    7 o  143.434   11.322  8499.44  1307.91  8536.76  4209.17  8495.45  1376.02  134.449   37.265  143.263   11.938 -8.814606 39.13052 
1 1 1   43   23    8 o  271.455   13.897 30569.34  3052.70 41073.32  6919.41 28030.75  3401.64  305.121   28.250  258.885   16.265 46.23584 32.59761 
1 1 1   43   23    9 o  238.527   13.319 23622.14  2569.35 31796.83  6211.48 21934.71  2822.10  266.398   29.194  229.027   15.263 37.37123 32.94339 
1 1 1   43   23   10 o   65.490   15.719  1863.48  825.223  5082.09  3543.47  1678.90  848.555  104.565   35.234   62.164   16.527 42.40142 38.91763 
1 1 1   43   23   11 o  139.701   13.765  8203.14  1541.10  6999.00  5327.63  8313.10  1609.92  118.012   42.935  140.449   14.317 -22.43607 45.25942 
1 1 1   43   23   12 o   55.575   17.950  1295.60  922.793  9988.42  4879.47  973.168  939.751  136.928   40.816   50.739   18.087 86.18832 44.64418 
1 1 1   43   23   13 o  159.864   13.244 10768.03  1703.70  4194.70  6455.48 11260.14  1766.32  102.051   43.698  163.415   13.431 -61.36394 45.71544 
1 1 1   43   23   14 o   90.115   16.603  3578.65  1170.08 11562.14  6272.67  3290.84  1190.99  134.297   46.827   85.919   17.662 48.37878 50.04733 
1 1 1   43   23   15 o  137.560   15.501  8226.85  1701.21  8598.25  6308.69  8197.73  1766.66  113.218   45.295  136.903   16.207 -23.68471 48.10693 
1 1 1   43   23   16 o   99.262   19.255  4563.58  1495.91   0.0000   0.0000  4563.58  1495.91  ?   ?    99.262   19.255 0.000000 19.25496 
1 1 1   43   23   17 o  131.941   17.604  8001.47  1838.90   0.0000   0.0000  8001.47  1838.90  ?   ?   131.941   17.604 0.000000 17.60403 
1 1 1   43   23   18 o   89.466   20.768  4045.73  1479.63   0.0000   0.0000  4045.73  1479.63  ?   ?    89.466   20.768 0.000000 20.76797 
1 1 1   43   25    0 o  141.659   15.892  8405.95  1796.42   0.0000   0.0000  8405.95  1796.42  ?   ?   141.659   15.892 0.000000 15.89205 
1 1 1   43   25    1 o  196.348   16.852 16116.02  2660.68   0.0000   0.0000 16116.02  2660.68  ?   ?   196.348   16.852 0.000000 16.85221 
1 1 1   43   25    2 o  152.827   16.625  9804.98  2029.71   0.0000   0.0000  9804.98  2029.71  ?   ?   152.827   16.625 0.000000 16.62487 
1 1 1   43   25    3 o  215.599   18.116 19536.36  3141.98   0.0000   0.0000 19536.36  3141.98  ?   ?   215.599   18.116 0.000000 18.11603 
1 1 1   43   25    4 o  101.790   19.597  4489.55  1560.93  6682.54  4176.32  4133.46  1682.89  119.673   38.139   96.976   21.891 22.69687 43.97486 
1 1 1   43   25    5 o  115.153   9.4999  5467.86  880.316 12668.04  3644.78  5021.81  907.174  168.656   27.568  110.178   10.258 58.47762 29.41467 
1 1 1   43   25    6 o  303.124   13.030 37982.60  3207.07 52292.10  8119.36 35337.36  3490.94  342.359   29.496  291.272   14.809 51.08655 33.00498 
1 1 1   43   25    7 o  176.516   11.640 12901.03  1658.96 10251.32  5438.73 13172.86  1741.97  141.595   43.291  178.232   12.109 -36.63741 44.95275 
1 1 1   43   25    8 o  193.012   11.965 15452.91  1865.89 27168.50  5891.19 14146.62  1967.16  243.631   30.445  184.200   13.241 59.43069 33.19981 
1 1 1   43   25    9 o  194.680   12.937 15806.54  2033.28 24880.99  6493.37 14820.04  2140.95  226.133   36.616  187.998   14.129 38.13431 39.24773 
1 1 1   43   25   10 o  139.048   13.865  8151.62  1544.55  3037.64  5260.08  8634.17  1615.78   95.570   40.116  143.055   14.093 -47.48525 42.51951 
1 1 1   43   25   11 o   55.189   18.181  1270.22  944.466 -3928.3149  5481.27  1429.29  958.806   72.060   34.275   57.794   18.259 14.26607 38.83526 
1 1 1   43   25   12 o   38.952   16.204  208.457  846.930 -3852.7520  5810.46  296.614  856.073   73.326   34.991   40.169   16.458 33.15676 38.66878 
1 1 1   43   25   13 o  118.940   15.590  6139.27  1469.35 12974.00  7040.49  5828.02  1502.43  136.196   49.386  115.406   16.504 20.79077 52.07093 
1 1 1   43   25   14 o   21.295   10.696 -2345.0940  815.877   0.0000   0.0000 -2345.0940  815.877  ?   ?    21.295   10.696 0.000000 10.69556 
1 1 1   43   25   15 o  104.122   19.159  5025.23  1560.11   0.0000   0.0000  5025.23  1560.11  ?   ?   104.122   19.159 0.000000 19.15925 
1 1 1   43   25   16 o   66.130   20.887  2132.68  1254.72   0.0000   0.0000  2132.68  1254.72  ?   ?    66.130   20.887 0.000000 20.88660 
1 1 1   43   25   17 o   58.973   22.280  1660.86  1459.26   0.0000   0.0000  1660.86  1459.26  ?   ?    58.973   22.280 0.000000 22.27981 
1 1 1   43   27    0 o  111.101   18.907  5341.40  1644.51   0.0000   0.0000  5341.40  1644.51  ?   ?   111.101   18.907 0.000000 18.90702 
1 1 1   43   27    1 o   35.188   15.645 -295.6948  897.337   0.0000   0.0000 -295.6948  897.337  ?   ?    35.188   15.645 0.000000 15.64507 
1 1 1   43   27    2 o  120.350   20.138  6297.05  1898.35   0.0000   0.0000  6297.05  1898.35  ?   ?   120.350   20.138 0.000000 20.13784 
1 1 1   43   27    3 o  178.010   18.895 13538.72  2689.33   0.0000   0.0000 13538.72  2689.33  ?   ?   178.010   18.895 0.000000 18.89518 
1 1 1   43   27    4 o  206.582   11.430 17655.76  1909.78   0.0000   0.0000 17655.76  1909.78  ?   ?   206.582   11.430 0.000000 11.42994 
1 1 1   43   27    5 o   81.057   10.415  2747.18  669.616  801.602  4734.52  2786.89  676.415   84.405   36.783   81.643   10.443 2.761574 38.23682 
1 1 1   43   27    6 o   49.445   12.139  1052.03  483.739 -2416.3259  4518.71  1092.23  486.534   70.452   32.745   50.384   12.054 20.06845 34.89330 
1 1 1   43   27    7 o   93.472   12.610  3690.08  932.619 -253.9681  4447.22  3871.51  953.829   77.168   34.533   95.791   12.566 -18.62328 36.74795 
1 1 1   43   27    8 o  123.928   11.966  6430.93  1189.14 12367.51  5741.92  6164.90  1215.49  149.251   44.228  121.133   12.540 28.11811 45.97167 
1 1 1   43   27    9 o  115.915   13.803  5705.00  1273.60  5452.97  5400.67  5719.84  1310.56  106.040   42.074  115.915   14.223 -9.875015 44.41339 
1 1 1   43   27   10 o   79.590   16.264  2787.80  1015.53  591.085  6639.16  2840.43  1027.62   89.497   40.902   80.339   16.310 9.158859 44.03365 
1 1 1   43   27   11 o  116.184   15.719  5857.04  1444.83 13763.26  7448.85  5547.95  1472.81  139.624   50.773  112.623   16.604 27.00150 53.41857 
1 1 1   43   27   12 o  210.302   15.058 19039.11  2554.27 30013.30  8429.47 17929.59  2680.28  213.280   49.611  202.989   16.402 10.29149 52.25217 
1 1 1   43   27   13 o   61.008   21.210  1640.38  1286.38   0.0000   0.0000  1640.38  1286.38  ?   ?    61.008   21.210 0.000000 21.20965 
1 1 1   43   27   14 o  107.058   18.819  5325.37  1576.21   0.0000   0.0000  5325.37  1576.21  ?   ?   107.058   18.819 0.000000 18.81934 
1 1 1   43   27   15 o   86.696   20.187  3685.29  1394.54   0.0000   0.0000  3685.29  1394.54  ?   ?    86.696   20.187 0.000000 20.18734 
1 1 1   43   29    0 o  152.639   19.593 10134.10  2372.28   0.0000   0.0000 10134.10  2372.28  ?   ?   152.639   19.593 0.000000 19.59314 
1 1 1   43   29    1 o  171.447   19.987 12781.84  2730.15   0.0000   0.0000 12781.84  2730.15  ?   ?   171.447   19.987 0.000000 19.98700 
1 1 1   43   29    2 o   93.571   26.121  4048.56  2060.31   0.0000   0.0000  4048.56  2060.31  ?   ?    93.571   26.121 0.000000 26.12057 
1 1 1   43   29    3 o  216.472   21.790 20570.32  3777.96   0.0000   0.0000 20570.32  3777.96  ?   ?   216.472   21.790 0.000000 21.79023 
1 1 1   43   29    4 o   71.946   9.6490  2168.72  549.471   0.0000   0.0000  2168.72  549.471  ?   ?    71.946   9.6490 0.000000 9.648995 
1 1 1   43   29    5 o  186.059   12.518 14478.29  1880.17   0.0000   0.0000 14478.29  1880.17  ?   ?   186.059   12.518 0.000000 12.51816 
1 1 1   43   29    6 o  111.918   10.862  5235.31  974.617  4137.09  6347.14  5261.83  986.314  102.038   43.502  112.172   10.970 -10.13342 44.86325 
1 1 1   43   29    7 o   45.970   14.122  894.565  577.965   35.895  5913.79  902.846  580.745   84.840   38.707   46.159   14.152 38.68065 41.21271 
1 1 1   43   29    8 o   56.130   16.148  1381.24  775.476 -6516.6392  6477.36  1496.09  781.094   71.454   34.789   58.257   16.016 13.19701 38.29859 
1 1 1   43   29    9 o   97.197   14.632  4092.29  1118.94 15027.99  7192.77  3821.08  1132.72  146.706   50.196   93.529   15.455 53.17705 52.52120 
1 1 1   43   29   10 o   28.764   13.182 -433.0428  696.045  580.626  6183.42 -446.0521  700.497   83.576   38.656   28.762   13.197 54.81405 40.84633 
1 1 1   43   29   11 o  152.644   15.418 10174.20  1884.74   0.0000   0.0000 10174.20  1884.74  ?   ?   152.644   15.418 0.000000 15.41802 
1 1 1   43   29   12 o  124.522   16.782  6964.58  1653.60   0.0000   0.0000  6964.58  1653.60  ?   ?   124.522   16.782 0.000000 16.78228 
1 1 1   43   29   13 o   39.327   17.393 -85.4935  1094.83   0.0000   0.0000 -85.4935  1094.83  ?   ?    39.327   17.393 0.000000 17.39295 
1 1 1   43   29   14 o   58.836   21.808  1631.33  1384.61   0.0000   0.0000  1631.33  1384.61  ?   ?    58.836   21.808 0.000000 21.80794 
1 1 1   43   31    0 o  125.053   24.584  7265.60  2407.24   0.0000   0.0000  7265.60  2407.24  ?   ?   125.053   24.584 0.000000 24.58398 
1 1 1   43   31    1 f  157.602   25.118 11487.48  3106.45   0.0000   0.0000 11487.48  3106.45  ?   ?   157.602   25.118 0.000000 25.11847 
1 1 1   43   31    2 o  203.667   23.820 18867.89  3864.69   0.0000   0.0000 18867.89  3864.69  ?   ?   203.667   23.820 0.000000 23.81974 
1 1 1   43   31    3 o   92.164   27.033  4073.23  2154.58   0.0000   0.0000  4073.23  2154.58  ?   ?    92.164   27.033 0.000000 27.03302 
1 1 1   43   31    4 f  194.803   13.312 16033.45  2093.00   0.0000   0.0000 16033.45  2093.00  ?   ?   194.803   13.312 0.000000 13.31196 
1 1 1   43   31    5 f  137.177   11.915  7926.00  1314.00   0.0000   0.0000  7926.00  1314.00  ?   ?   137.177   11.915 0.000000 11.91550 
1 1 1   43   31    6 o   23.435   9.8959   27.629  323.212  7219.51  6072.01   7.1934  323.671  109.615   44.230   23.084   9.8320 86.53079 45.30966 
1 1 1   43   31    7 o   58.918   13.691  1528.37  642.470  3832.52  7805.69  1512.66  644.657   97.255   44.409   58.591   13.781 38.66426 46.49830 
1 1 1   43   31    8 o  130.365   13.531  7301.47  1411.42 12233.54  8970.22  7176.26  1429.22  118.965   51.237  129.064   13.855 -10.09947 53.07708 
1 1 1   43   31    9 o   71.857   16.664  2347.04  953.393   0.0000   0.0000  2347.04  953.393  ?   ?    71.857   16.664 0.000000 16.66412 
1 1 1   43   31   10 o  115.502   15.865  5953.18  1448.62   0.0000   0.0000  5953.18  1448.62  ?   ?   115.502   15.865 0.000000 15.86543 
1 1 1   43   31   11 o  174.117   15.797 13578.26  2209.08   0.0000   0.0000 13578.26  2209.08  ?   ?   174.117   15.797 0.000000 15.79740 
1 1 1   43   31   12 o  159.971   16.029 11675.33  2053.97   0.0000   0.0000 11675.33  2053.97  ?   ?   159.971   16.029 0.000000 16.02871 
1 1 1   43   33    0 o  126.510   27.597  7957.33  2755.07   0.0000   0.0000  7957.33  2755.07  ?   ?   126.510   27.597 0.000000 27.59725 
1 1 1   43   33    1 o  202.673   26.903 19921.69  4317.79   0.0000   0.0000 19921.69  4317.79  ?   ?   202.673   26.903 0.000000 26.90254 
1 1 1   43   33    2 o  229.818   25.875 25314.03  4744.46   0.0000   0.0000 25314.03  4744.46  ?   ?   229.818   25.875 0.000000 25.87533 
1 1 1   43   33    3 o   96.574   31.224  4935.70  2791.54   0.0000   0.0000  4935.70  2791.54  ?   ?    96.574   31.224 0.000000 31.22385 
1 1 1   43   33    4 o  153.420   30.650 12198.83  3684.61   0.0000   0.0000 12198.83  3684.61  ?   ?   153.420   30.650 0.000000 30.65050 
1 1 1   43   33    5 o   80.168   10.731  2738.56  681.011   0.0000   0.0000  2738.56  681.011  ?   ?    80.168   10.731 0.000000 10.73123 
1 1 1   43   33    6 o   36.188   11.825  540.092  399.835   0.0000   0.0000  540.092  399.835  ?   ?    36.188   11.825 0.000000 11.82471 
1 1 1   43   33    7 f   89.329   12.448  3462.23  878.367   0.0000   0.0000  3462.23  878.367  ?   ?    89.329   12.448 0.000000 12.44826 
1 1 1   43   33    8 o  104.158   13.733  4775.29  1133.12   0.0000   0.0000  4775.29  1133.12  ?   ?   104.158   13.733 0.000000 13.73305 
1 1 1   43   33    9 o   27.620   12.913 -588.1624  719.385   0.0000   0.0000 -588.1624  719.385  ?   ?    27.620   12.913 0.000000 12.91316 
1 1 1   43   33   10 o   51.445   17.481  1210.63  872.269   0.0000   0.0000  1210.63  872.269  ?   ?    51.445   17.481 0.000000 17.48067 
1 1 1   43   33   11 o   93.881   19.967  4447.80  1475.23   0.0000   0.0000  4447.80  1475.23  ?   ?    93.881   19.967 0.000000 19.96694 
1 1 1   43   35    0 o   65.331   27.503  1511.94  2484.25   0.0000   0.0000  1511.94  2484.25  ?   ?    65.331   27.503 0.000000 27.50336 
1 1 1   43   35    1 o   37.126   18.363 -3789.5559  2042.49   0.0000   0.0000 -3789.5559  2042.49  ?   ?    37.126   18.363 0.000000 18.36257 
1 1 1   43   35    2 o   59.439   26.694  278.638  2682.75   0.0000   0.0000  278.638  2682.75  ?   ?    59.439   26.694 0.000000 26.69415 
1 1 1   43   35    3 o   78.864   32.243  3311.81  3276.85   0.0000   0.0000  3311.81  3276.85  ?   ?    78.864   32.243 0.000000 32.24326 
1 1 1   43   35    4 o   70.707   30.015  2166.55  2998.51   0.0000   0.0000  2166.55  2998.51  ?   ?    70.707   30.015 0.000000 30.01526 
1 1 1   43   35    5 f  109.376   11.187  5151.94  979.563   0.0000   0.0000  5151.94  979.563  ?   ?   109.376   11.187 0.000000 11.18739 
1 1 1   43   35    6 o  104.593   11.758  4761.11  981.275   0.0000   0.0000  4761.11  981.275  ?   ?   104.593   11.758 0.000000 11.75821 
1 1 1   43   35    7 o   26.395   11.155   64.687  411.171   0.0000   0.0000   64.687  411.171  ?   ?    26.395   11.155 0.000000 11.15467 
1 1 1   43   35    8 o   69.872   15.282  2293.97  842.846   0.0000   0.0000  2293.97  842.846  ?   ?    69.872   15.282 0.000000 15.28159 
1 1 1   43   37    0 o   77.260   32.301  4084.43  3389.51   0.0000   0.0000  4084.43  3389.51  ?   ?    77.260   32.301 0.000000 32.30105 
1 1 1   43   37    1 o   61.394   28.414  750.904  3348.68   0.0000   0.0000  750.904  3348.68  ?   ?    61.394   28.414 0.000000 28.41392 
1 1 1   43   37    2 o   59.676   28.001  231.520  3434.93   0.0000   0.0000  231.520  3434.93  ?   ?    59.676   28.001 0.000000 28.00059 
1 1 1   43   37    3 f   59.075   27.385  556.839  3128.99   0.0000   0.0000  556.839  3128.99  ?   ?    59.075   27.385 0.000000 27.38503 
1 1 1   43   37    4 o   68.888   31.056  2785.51  3671.28   0.0000   0.0000  2785.51  3671.28  ?   ?    68.888   31.056 0.000000 31.05599 
1 1 1   43   37    5 o   76.774   11.563  2628.87  698.450   0.0000   0.0000  2628.87  698.450  ?   ?    76.774   11.563 0.000000 11.56303 
1 1 1   44    0    2 f  1348.20   98.883 798484.31 106908.30   0.0000   0.0000 798484.31 106908.30  1348.20   98.883  1348.20   98.883 0.000000 0.000000 
1 1 1   44    0    3 o  129.452   14.699  7073.60  1493.61   0.0000   0.0000  7073.60  1493.61  129.452   14.699  129.452   14.699 0.000000 0.000000 
1 1 1   44    0    4 o  490.218   25.088 98880.55  9926.46 96080.35 14228.93 101535.40 13854.83  479.340   37.068  493.759   34.961 0.000000 0.000000 
1 1 1   44    0    5 o  1300.28   68.432 724162.69 71792.47 639192.81 101739.60 808435.50 101321.50  1175.01  108.781  1344.51   93.862 0.000000 0.000000 
1 1 1   44    0    6 o  562.763   30.164 130935.70 13692.72 106569.30 19569.25 154308.00 19165.91  498.930   49.418  607.812   39.209 0.000000 0.000000 
1 1 1   44    0    7 o  481.758   24.743 95644.02  9620.41 92403.13 13825.09 98686.71 13395.70  469.177   36.812  486.145   34.329 0.000000 0.000000 
1 1 1   44    0    8 o   62.028   12.253  1735.37  548.667  1115.83  993.211  2007.47  658.216   43.219   22.210   66.342   13.866 0.000000 0.000000 
1 1 1   44    0    9 o  203.454   12.599 17036.11  2063.01 18310.41  3154.08 16083.33  2727.31  209.322   18.913  196.333   17.424 0.000000 0.000000 
1 1 1   44    0   10 o  124.559   11.321  6466.55  1123.27  4637.19  1835.33  7562.19  1420.35   97.003   26.938  134.347   13.321 0.000000 0.000000 
1 1 1   44    0   11 o  309.810   25.803 40251.02  6387.23 40251.02  6387.23   0.0000   0.0000  309.810   25.803  309.810   25.803 0.000000 0.000000 
1 1 1   44    0   12 o  535.797   27.417 119413.00 11856.54 118295.60 17021.73 120466.20 16524.68  525.934   40.408  531.898   38.734 0.000000 0.000000 
1 1 1   44    0   13 o  192.404   13.006 15306.64  2010.57 18370.67  3146.20 13191.59  2613.97  209.172   18.878  176.486   18.775 0.000000 0.000000 
1 1 1   44    0   14 o   43.101   19.262  1102.26  716.820  2186.28  1366.36  690.615  841.994   60.585   26.585   35.146   19.670 0.000000 0.000000 
1 1 1   44    0   15 o  180.906   13.577 13643.48  1968.44 13905.51  3120.30 13470.26  2536.96  178.716   22.466  177.970   17.977 0.000000 0.000000 
1 1 1   44    0   16 o   52.507   20.580  1567.17  840.087 -1179.0070  1652.89  2523.64  975.475   29.662   20.470   71.449   19.451 0.000000 0.000000 
1 1 1   44    0   17 o   34.530   19.217  690.184  798.555  337.846  1681.86  792.734  907.355   38.789   24.610   36.858   20.494 0.000000 0.000000 
1 1 1   44    0   18 o  185.685   14.574 14565.84  2166.21 16813.15  3703.11 13396.81  2670.85  193.354   24.687  175.282   19.370 0.000000 0.000000 
1 1 1   44    0   19 o  224.098   16.261 21417.14  2923.01 20063.77  4755.70 22238.81  3705.58  205.169   30.539  225.174   20.668 0.000000 0.000000 
1 1 1   44    0   20 o  116.397   18.387  6171.50  1608.07  3936.60  3246.54  6898.07  1851.10   70.877   38.998  122.074   20.384 0.000000 0.000000 
1 1 1   44    0   21 f   43.908   23.944  1303.43  1211.69 -2102.8081  3003.66  1965.49  1324.22   36.854   25.909   53.622   26.008 0.000000 0.000000 
1 1 1   44    0   22 o  131.944   17.684  8068.87  1799.02  9303.70  4235.79  7797.10  1987.15   98.893   46.681  126.650   21.079 0.000000 0.000000 
1 1 1   44    2    0 o  1027.24   50.341 440261.00 41988.45 441481.91 59377.68 439039.81 59383.60  1011.80   72.761  1008.81   72.990 2.994934 103.0618 
1 1 1   44    2    1 o  1147.29   84.244 580503.69 77929.80 580503.69 77929.80   0.0000   0.0000  1147.29   84.244  ?   ?  0.000000 84.24413 
1 1 1   44    2    2 o  403.291   20.764 66562.38  6776.32 66562.38  6776.32   0.0000   0.0000  403.291   20.764  ?   ?  0.000000 20.76410 
1 1 1   44    2    3 o  612.016   26.091 153523.30 12965.45 152305.20 15824.48 156011.00 22614.54  607.262   32.209  609.296   46.051 -2.034058 56.19689 
1 1 1   44    2    4 o  131.933   11.057  7129.66  1173.54  9496.72  1520.07  3637.12  1846.41  152.260   12.403   92.551   24.271 59.70812 27.25637 
1 1 1   44    2    5 o  466.479   19.270 88893.39  7298.99 91970.97 12461.91 87286.33  9005.26  470.648   32.815  460.818   24.151 9.829315 40.74475 
1 1 1   44    2    6 o  531.894   21.893 115827.80  9454.98 124082.50 16204.76 111567.10 11642.13  545.209   36.821  520.014   27.672 25.19556 46.06005 
1 1 1   44    2    7 o  182.253   8.8845 13505.17  1314.76 15492.57  1854.20 11495.53  1864.55  194.739   11.782  167.404   13.841 27.33569 18.17686 
1 1 1   44    2    8 o  268.210   10.474 29270.30  2280.98 29361.37  3230.16 29179.71  3221.44  267.911   14.908  267.078   14.915 0.8331299 21.08771 
1 1 1   44    2    9 o  693.234   24.132 197641.41 13583.55 204952.91 19222.47 190348.80 19197.65  701.654   33.740  674.639   35.168 27.01471 48.73576 
1 1 1   44    2   10 o  429.592   18.101 75532.01  6313.72 74613.31  7698.38 77419.58 11034.74  425.507   22.360  430.239   31.813 -4.732483 38.88512 
1 1 1   44    2   11 o  159.802   8.3078 10415.29  1074.25 11134.31  1550.55  9751.58  1489.72  164.888   11.656  154.215   11.991 10.67346 16.72316 
1 1 1   44    2   12 o  143.380   8.0112  8389.43  928.938  6592.58  1335.23 10074.98  1293.21  126.399   13.205  156.939   10.204 -30.54031 16.68790 
1 1 1   44    2   13 o   40.166   12.734  647.702  466.042  1036.96  736.451  387.697  601.891   50.644   16.002   37.276   14.254 13.36817 21.43048 
1 1 1   44    2   14 o  322.835   12.992 42719.37  3405.55 39985.09  4838.43 45403.93  4794.23  309.991   19.319  330.954   17.907 -20.96353 26.34186 
1 1 1   44    2   15 f   94.897   9.8939  3722.25  751.148  2911.22  1066.81  4519.67  1057.82   82.438   16.513  104.118   12.781 -21.67963 20.88152 
1 1 1   44    2   16 o  239.368   10.968 23524.04  2131.75 24196.20  3037.51 22871.66  2992.50  240.922   15.612  234.120   15.835 6.802399 22.23666 
1 1 1   44    2   17 o  227.020   10.912 21207.11  2011.51 21592.02  2855.56 20828.00  2833.98  227.011   15.586  222.863   15.763 4.148148 22.16753 
1 1 1   44    2   18 o   49.579   14.768  1043.31  638.953 -221.6424  973.597  2000.31  846.836   37.361   16.469   67.764   15.699 -30.40298 22.75226 
1 1 1   44    2   19 o   21.733   10.558 -995.1998  587.768 -530.7491  884.831 -1361.9919  786.322   32.682   14.934   24.885   12.117 7.796204 19.23176 
1 1 1   44    2   20 o  133.820   11.099  7508.77  1195.12  7307.97  1663.43  7723.02  1718.23  129.775   16.134  133.423   16.192 -3.647781 22.85827 
1 1 1   44    2   21 o  130.778   11.111  7230.79  1168.67  8423.16  1615.25  5920.91  1692.98  139.362   14.486  114.059   18.945 25.30270 23.84870 
1 1 1   44    2   22 o   99.894   13.186  4376.54  1043.38  5506.82  1467.86  3222.22  1483.40  109.711   17.030   80.421   22.055 29.29025 27.86488 
1 1 1   44    4    0 f  295.590   16.401 35695.49  3920.95 40260.18  5506.31 31000.03  5584.63  313.272   21.783  274.126   25.378 39.14575 33.44458 
1 1 1   44    4    1 o  341.233   18.378 47610.61  5073.30 53145.44  7074.03 41749.02  7279.86  359.653   24.368  317.810   28.514 41.84290 37.50798 
1 1 1   44    4    2 o  298.066   14.675 36175.03  3551.74 37233.34  4345.32 34044.75  6165.01  301.665   17.819  286.971   26.767 14.69437 32.15584 
1 1 1   44    4    3 o  760.119   32.125 238209.50 19827.07 280692.59 34057.34 216429.50 24385.46  813.786   51.812  719.565   41.919 94.22034 66.64556 
1 1 1   44    4    4 o  500.642   27.939 103363.00 11312.11 126117.10 15744.92 79086.45 16263.14  550.674   35.401  431.293   47.211 119.3811 59.00948 
1 1 1   44    4    5 o  126.761   8.6488  6562.19  884.872  6630.03  1058.02  6404.27  1614.12  127.258   10.328  124.249   16.400 3.009415 19.38162 
1 1 1   44    4    6 o  491.797   25.536 99607.73 10162.01 107657.60 14173.69 91092.84 14577.32  508.401   34.540  465.867   38.893 42.53339 52.01577 
1 1 1   44    4    7 o  701.757   28.988 203174.80 16517.70 229415.59 28436.55 189812.80 20291.96  734.238   47.962  673.865   37.231 60.37335 60.71608 
1 1 1   44    4    8 o  330.379   17.212 44706.34  4601.29 45551.51  6451.74 43831.46  6564.14  332.114   24.089  325.531   25.026 6.582764 34.73552 
1 1 1   44    4    9 o  644.268   31.922 172455.50 16699.17 172291.70 23444.78 172624.30 23791.42  634.946   45.782  635.092   46.459 -0.1453247 65.22598 
1 1 1   44    4   10 o  433.036   15.624 76602.82  5493.45 81662.95  7801.37 71625.99  7736.86  445.871   21.549  416.639   22.959 29.23160 31.48728 
1 1 1   44    4   11 o  341.509   13.106 47580.93  3634.29 47685.41  5174.05 47479.18  5105.97  340.508   18.787  339.818   18.576 0.6896667 26.41947 
1 1 1   44    4   12 o  111.204   10.449  5082.95  932.432  7733.70  1916.62  4261.04  1067.24  136.189   17.755  101.296   13.297 34.89382 22.18185 
1 1 1   44    4   13 o  499.454   18.256 102734.50  7403.55 103213.80 10514.52 102263.20 10426.43  496.275   26.186  494.039   26.084 2.236511 36.96069 
1 1 1   44    4   14 o  288.480   11.816 34068.77  2767.85 32891.64  3954.05 35199.77  3875.79  281.592   17.378  291.662   16.433 -10.07025 23.91758 
1 1 1   44    4   15 o  130.857   8.9121  7027.14  941.290  7202.43  1328.89  6850.62  1333.50  131.801   12.570  128.427   12.965 3.374054 18.05816 
1 1 1   44    4   16 o  218.223   10.276 19530.43  1820.81 19048.65  2585.18 20004.70  2564.97  213.816   14.985  219.321   14.485 -5.505234 20.84161 
1 1 1   44    4   17 f  170.366   9.6475 11948.39  1329.07 10985.25  1879.95 12910.80  1879.24  161.936   14.449  176.068   13.242 -14.13197 19.59943 
1 1 1   44    4   18 o   62.124   14.570  1675.68  722.252  1343.71  977.294  2075.20  1072.12   56.809   18.483   68.662   18.717 -11.85315 26.30507 
1 1 1   44    4   19 o   72.020   13.391  2234.93  754.244  2466.17  974.055  1888.65  1191.96   74.854   16.473   65.591   20.302 9.263535 26.14455 
1 1 1   44    4   20 o   73.996   13.115  2367.88  759.146  2048.98  1006.42  2788.82  1156.30   67.459   18.029   78.563   18.443 -11.10326 25.79074 
1 1 1   44    4   21 o   95.278   12.439  3906.44  939.379  3243.45  1195.69  4975.51  1518.34   84.169   18.038  104.442   18.585 -20.27298 25.89950 
1 1 1   44    4   22 o   43.613   15.928  748.538  734.180  1061.77  875.266   4.9780  1348.54   49.725   17.483   43.850   19.353 5.874790 26.08064 
1 1 1   44    6    0 f  194.179   18.171 15510.80  2831.66   0.0000   0.0000 15510.80  2831.66  ?   ?   194.179   18.171 0.000000 18.17102 
1 1 1   44    6    1 o  374.071   28.260 57779.00  8520.21   0.0000   0.0000 57779.00  8520.21  ?   ?   374.071   28.260 0.000000 28.26015 
1 1 1   44    6    2 o  291.637   16.490 34783.46  3888.79 35830.59  5643.34 33836.63  5366.28  294.868   23.773  286.584   23.262 8.284851 33.26040 
1 1 1   44    6    3 o  322.605   13.636 42381.52  3571.94 48464.71  4993.58 36007.71  5111.47  344.140   17.933  295.944   21.416 48.19592 27.93267 
1 1 1   44    6    4 o  792.127   27.947 258166.59 17974.68 262641.19 25383.57 253666.30 25456.66  793.785   39.383  778.625   40.405 15.16003 56.42307 
1 1 1   44    6    5 o  455.908   16.943 84818.29  6271.92 87888.81  8851.97 81722.86  8887.79  462.379   23.657  445.579   24.662 16.79910 34.17396 
1 1 1   44    6    6 o  369.047   14.560 55514.29  4363.02 60610.07  6170.62 50419.73  6169.87  384.457   19.835  350.181   21.808 34.27670 29.47847 
1 1 1   44    6    7 o  686.228   27.918 194186.41 15555.95 212100.30 19049.53 158329.91 26950.90  715.077   32.809  603.883   55.589 111.1940 64.54861 
1 1 1   44    6    8 o   27.958   10.531  230.166  325.416  467.923  375.552 -486.2360  651.902   34.756   11.465   27.681   12.712 7.075163 17.11831 
1 1 1   44    6    9 o  168.446   11.223 11605.08  1526.21 11111.30  2025.09 12254.27  2322.01  164.265   15.361  172.351   16.806 -8.085571 22.76902 
1 1 1   44    6   10 o  393.763   16.504 63403.27  5276.76 68882.24  8995.06 60528.44  6515.68  407.007   27.378  383.323   21.014 23.68384 34.51284 
1 1 1   44    6   11 o  303.721   13.470 37653.66  3321.76 40566.32  5600.77 36073.17  4125.71  313.058   22.177  296.284   17.224 16.77432 28.07996 
1 1 1   44    6   12 o  357.478   15.697 52339.80  4556.13 49183.97  8286.06 53707.42  5454.74  341.312   30.211  360.999   18.673 -19.68640 35.51626 
1 1 1   44    6   13 o  392.613   14.720 63223.18  4692.50 64087.51  6692.44 62387.30  6581.35  392.673   21.067  387.444   20.999 5.229065 29.74499 
1 1 1   44    6   14 o  233.372   10.717 22275.77  2030.82 22808.46  2916.12 21774.14  2829.84  234.748   15.384  229.370   15.282 5.378098 21.68434 
1 1 1   44    6   15 o  166.262   9.5888 11345.26  1288.98 12559.28  1847.16 10193.00  1799.57  174.159   13.159  156.501   14.320 17.65823 19.44853 
1 1 1   44    6   16 o  158.328   9.3759 10302.50  1199.97 11711.18  1730.21  8996.96  1665.67  167.999   12.780  146.748   14.155 21.25052 19.07027 
1 1 1   44    6   17 o  230.786   10.690 21924.85  2003.15 20318.73  2862.07 23467.08  2804.57  219.708   16.157  236.924   14.651 -17.21611 21.81006 
1 1 1   44    6   18 o   46.910   14.651  918.771  619.198  916.181  832.316  921.981  926.610   48.803   17.055   49.915   17.942 -1.112370 24.75471 
1 1 1   44    6   19 o   44.899   14.294  838.865  586.783  1210.09  744.564  230.384  953.250   53.008   15.977   41.215   17.172 11.79375 23.45462 
1 1 1   44    6   20 o  116.426   11.180  5709.62  1043.89  5683.50  1397.44  5742.59  1570.18  114.341   15.447  113.900   17.541 0.4402466 23.37330 
1 1 1   44    6   21 o  147.438   11.168  9209.22  1327.08  8013.45  1789.71 10669.73  1977.93  134.024   16.816  155.580   15.880 -21.55603 23.12914 
1 1 1   44    6   22 f   94.700   12.071  3909.65  907.108  3449.97  1144.32  4686.93  1488.02   86.114   16.969   99.088   19.188 -12.97339 25.61519 
1 1 1   44    8    0 o  131.454   16.095  7149.33  1682.05   0.0000   0.0000  7149.33  1682.05  ?   ?   131.454   16.095 0.000000 16.09526 
1 1 1   44    8    1 o  437.142   32.449 79358.83 11435.46   0.0000   0.0000 79358.83 11435.46  ?   ?   437.142   32.449 0.000000 32.44909 
1 1 1   44    8    2 o  368.648   19.670 55697.76  5866.61 58713.96  8444.89 52884.44  8155.93  376.796   27.799  357.370   28.340 19.42590 39.69770 
1 1 1   44    8    3 o  598.871   29.109 147792.91 14154.62 168802.00 20170.55 127408.90 19868.20  635.051   39.311  548.802   44.982 86.24951 59.73866 
1 1 1   44    8    4 o  495.441   18.653 100286.00  7503.56 109102.70 10563.42 91306.47 10660.54  515.411   25.241  470.072   28.058 45.33966 37.74115 
1 1 1   44    8    5 o  258.530   10.304 27189.88  2163.06 30329.37  3034.62 23947.32  3084.04  272.490   13.760  241.788   15.796 30.70108 20.94865 
1 1 1   44    8    6 f  299.914   11.299 36611.13  2751.54 39125.47  3888.95 34090.77  3893.59  309.696   15.465  288.497   16.693 21.19928 22.75578 
1 1 1   44    8    7 o  178.272   10.602 12979.16  1527.69 14771.22  1872.91  9416.42  2640.78  190.054   12.201  149.900   22.382 40.15343 25.49187 
1 1 1   44    8    8 o  381.375   13.367 59294.81  4139.26 65383.64  5880.61 53315.81  5827.34  399.785   18.116  360.172   20.005 39.61319 26.98843 
1 1 1   44    8    9 o   67.563   10.972  1906.38  581.270  1906.38  581.270   0.0000   0.0000   67.563   10.972  ?   ?  0.000000 10.97220 
1 1 1   44    8   10 o  359.536   15.075 52817.14  4400.92 55468.63  5402.70 47588.16  7587.08  367.935   18.084  337.590   27.930 30.34558 33.27320 
1 1 1   44    8   11 f  179.456   11.531 13184.22  1671.36 12277.23  2201.70 14417.74  2567.59  172.481   15.900  186.805   17.118 -14.32411 23.36314 
1 1 1   44    8   12 o  292.177   13.236 34900.32  3140.14 38217.84  5251.81 33054.36  3917.54  303.320   21.463  283.186   17.118 20.13464 27.45297 
1 1 1   44    8   13 o  107.273   8.8819  4723.51  766.675  3839.97  1118.13  5507.52  1053.26   95.591   14.891  115.523   11.376 -19.93153 18.73910 
1 1 1   44    8   14 o   66.034   10.736  1829.80  555.840  1742.65  760.467  1929.77  814.461   63.756   14.949   67.082   15.293 -3.326550 21.38577 
1 1 1   44    8   15 o   27.655   11.714   19.660  455.138 -124.3384  593.295  225.596  709.508   29.638   12.966   36.895   15.035 -7.256424 19.85315 
1 1 1   44    8   16 o  164.163   9.3358 11078.56  1239.27 11166.98  1770.02 10993.53  1735.68  163.747   13.431  162.510   13.270 1.236328 18.88050 
1 1 1   44    8   17 o  269.262   11.720 29957.80  2562.42 31122.08  3675.41 28856.69  3574.32  271.526   16.753  261.313   16.937 10.21310 23.82258 
1 1 1   44    8   18 o   89.702   10.371  3363.58  741.421  3199.78  955.981  3610.82  1174.49   86.425   14.110   91.149   16.476 -4.724449 21.69193 
1 1 1   44    8   19 o   93.564   11.296  3690.47  840.800  3258.57  1086.94  4333.94  1326.72   86.229   16.117   99.376   17.056 -13.14756 23.46658 
1 1 1   44    8   20 o  124.015   10.387  6452.71  1036.33  6904.52  1392.20  5891.27  1551.95  126.826   13.739  115.371   17.083 11.45447 21.92266 
1 1 1   44    8   21 o   93.514   11.878  3766.02  881.540  4201.67  1083.21  2911.60  1516.99   97.793   14.045   77.013   22.710 20.78021 26.70207 
1 1 1   44    8   22 o  160.267   11.726 11113.61  1515.33 10865.02  2114.51 11376.07  2172.66  153.106   17.313  156.619   17.378 -3.513214 24.53034 
1 1 1   44   10    0 o  401.487   30.398 66933.51  9836.08   0.0000   0.0000 66933.51  9836.08  ?   ?   401.487   30.398 0.000000 30.39795 
1 1 1   44   10    1 o  269.465   22.435 29955.40  4864.13   0.0000   0.0000 29955.40  4864.13  ?   ?   269.465   22.435 0.000000 22.43520 
1 1 1   44   10    2 o  313.205   17.343 40171.26  4393.23 46426.03  6371.47 34502.39  6065.72  335.626   23.529  288.532   26.176 47.09314 35.19643 
1 1 1   44   10    3 o  311.211   17.577 39676.45  4423.52 40160.68  6410.86 39236.38  6111.47  311.571   25.566  308.147   24.632 3.424469 35.50143 
1 1 1   44   10    4 o  379.928   29.894 59979.95  9147.42 59979.95  9147.42   0.0000   0.0000  379.928   29.894  ?   ?  0.000000 29.89380 
1 1 1   44   10    5 o  168.691   12.368 11650.91  1682.27 11736.50  2611.14 11590.17  2199.61  168.275   19.470  167.718   16.360 0.5570984 25.43123 
1 1 1   44   10    6 o  495.028   18.347 100215.60  7374.48 110350.80 10424.64 90063.02 10433.53  517.907   24.790  466.350   27.678 51.55688 37.15621 
1 1 1   44   10    7 o  112.143   7.5349  5135.45  682.114  7493.98  931.382  2406.96  1001.77  135.483   8.5097   75.285   16.813 60.19827 18.84360 
1 1 1   44   10    8 o  478.998   16.413 93781.75  6383.45 97248.02  9057.55 90361.01  8997.87  486.206   22.943  467.876   23.763 18.32950 33.03119 
1 1 1   44   10    9 o  374.836   16.866 57489.77  5133.17 57863.67  6303.25 56753.53  8844.99  374.738   20.797  368.268   29.836 6.469269 36.36934 
1 1 1   44   10   10 o  262.975   10.260 28166.99  2190.75 27734.73  3120.41 28587.15  3076.42  260.077   14.838  264.131   14.399 -4.054077 20.67597 
1 1 1   44   10   11 o  135.855   9.5151  7554.20  1042.98  8207.69  1257.93  6116.82  1865.62  141.449   11.040  120.386   19.772 21.06268 22.64580 
1 1 1   44   10   12 o  239.239   11.820 23388.44  2296.15 24424.51  2833.02 21404.74  3920.06  243.690   14.381  226.198   21.606 17.49191 25.95496 
1 1 1   44   10   13 o  119.820   10.031  5905.87  966.949  4094.81  1208.41  9129.63  1612.24   98.521   15.628  148.515   13.518 -49.99384 20.66270 
1 1 1   44   10   14 o  149.091   9.0751  9117.21  1093.38  8538.21  1685.19  9538.14  1436.88  143.060   14.717  151.997   11.733 -8.936920 18.82222 
1 1 1   44   10   15 o  363.476   16.362 55038.12  4828.87 62051.77  8091.15 51157.93  6018.16  377.416   26.572  346.677   21.486 30.73975 34.17199 
1 1 1   44   10   16 o  290.443   12.344 34857.52  2911.14 38192.50  4203.54 31783.80  4035.54  301.070   17.267  273.986   18.244 27.08417 25.12008 
1 1 1   44   10   17 o   79.235   10.418  2629.76  653.998  2976.22  876.366  2194.30  982.491   83.624   13.356   70.707   17.263 12.91622 21.82673 
1 1 1   44   10   18 o   30.736   12.133  228.118  446.957  291.672  505.396  -0.0061  957.517   33.213   12.964   38.956   16.759 -5.742912 21.18825 
1 1 1   44   10   19 o  205.038   10.062 17433.93  1675.22 12692.31  2342.48 22397.58  2396.70  170.901   17.111  230.559   12.854 -59.65805 21.40073 
1 1 1   44   10   20 o   66.671   13.266  1949.84  692.893  2205.53  853.298  1454.88  1187.21   70.255   15.385   58.284   20.369 11.97091 25.52636 
1 1 1   44   10   21 o   85.686   12.345  3198.60  834.130  3734.63  1031.11  2183.54  1418.92   91.701   14.316   67.181   22.291 24.51997 26.49249 
1 1 1   44   12    2 o  313.702   26.568 40809.29  6703.70 40809.29  6703.70   0.0000   0.0000  313.702   26.568  ?   ?  0.000000 26.56799 
1 1 1   44   12    3 o  742.794   37.015 230444.59 22324.64 236518.41 31761.54 224513.80 31385.43  740.006   53.215  720.210   54.064 19.79572 75.86069 
1 1 1   44   12    4 o  289.439   17.195 34347.48  4022.88 31938.03  5874.43 36475.32  5520.47  277.189   26.420  297.169   23.059 -19.97977 35.06819 
1 1 1   44   12    5 o  270.104   12.498 29723.83  2740.95 32026.26  5101.65 28789.52  3249.83  278.337   22.773  265.179   15.156 13.15839 27.35545 
1 1 1   44   12    6 o  627.040   24.752 161971.91 12602.02 170365.80 22212.32 157987.59 15303.36  632.276   43.531  616.944   30.549 15.33124 53.18134 
1 1 1   44   12    7 o  350.860   15.517 50287.13  4420.66 48570.46  8097.59 51015.96  5276.28  340.888   29.548  352.466   18.501 -11.57721 34.86179 
1 1 1   44   12    8 o  333.353   13.060 45328.48  3535.06 48091.73  5021.40 42613.28  4977.56  342.147   18.140  321.793   19.137 20.35345 26.36765 
1 1 1   44   12    9 o  256.595   12.634 26860.35  2632.23 27881.99  3206.84 24750.59  4608.32  260.710   15.215  243.775   23.576 16.93585 28.05941 
1 1 1   44   12   10 o  392.596   14.873 63060.03  4741.22 62117.96  6751.90 63976.41  6659.26  387.450   21.547  393.431   20.921 -5.981476 30.03285 
1 1 1   44   12   11 o  232.158   9.1221 21960.04  1719.56 20808.72  2434.18 23106.93  2429.50  225.139   13.376  237.422   12.648 -12.28214 18.40883 
1 1 1   44   12   12 o  319.730   12.622 41881.17  3276.76 41053.04  4672.55 42682.57  4596.48  314.460   18.380  320.912   17.709 -6.451813 25.52291 
1 1 1   44   12   13 o  253.236   11.700 26299.63  2405.84 25740.22  2962.91 27382.26  4121.86  249.393   14.697  255.206   20.053 -5.813507 24.86176 
1 1 1   44   12   14 o  262.367   14.482 28559.64  3073.24 30770.77  3791.43 24323.67  5247.73  271.136   17.312  235.234   28.027 35.90218 32.94230 
1 1 1   44   12   15 o  226.440   13.128 21271.74  2403.44 19946.42  3135.83 23158.81  3741.85  217.243   17.938  233.123   19.961 -15.87958 26.83632 
1 1 1   44   12   16 o  206.283   10.932 17587.50  1824.46 18675.30  2806.18 16790.97  2401.25  210.217   16.575  200.035   14.891 10.18204 22.28126 
1 1 1   44   12   17 o   61.221   11.305  1598.04  541.239  1628.07  651.230  1530.97  973.245   61.345   13.445   59.645   18.326 1.700123 22.72924 
1 1 1   44   12   18 o   45.267   12.516  882.834  475.466  1435.06  549.553 -761.0834  948.178   57.642   12.126   32.298   15.008 25.34431 19.29420 
1 1 1   44   12   19 o   86.933   10.351  3186.41  716.276  3442.53  869.559  2645.83  1263.29   89.770   12.250   75.788   20.173 13.98185 23.60058 
1 1 1   44   12   20 o   74.941   10.732  2403.14  634.412  2660.35  720.873  1519.68  1336.00   78.579   11.651   59.493   21.522 19.08617 24.47385 
1 1 1   44   12   21 o   81.855   12.031  2930.45  775.745  3442.18  907.164  1538.07  1496.39   88.306   13.045   59.112   22.506 29.19428 26.01348 
1 1 1   44   14    0 o  383.238   29.971 61203.45  9252.16   0.0000   0.0000 61203.45  9252.16  ?   ?   383.238   29.971 0.000000 29.97148 
1 1 1   44   14    1 o  866.586   65.608 336222.19 45821.88   0.0000   0.0000 336222.19 45821.88  ?   ?   866.586   65.608 0.000000 65.60766 
1 1 1   44   14    2 o  559.894   41.518 132962.59 18740.34   0.0000   0.0000 132962.59 18740.34  ?   ?   559.894   41.518 0.000000 41.51821 
1 1 1   44   14    3 f  488.104   25.699 98488.05 10149.33 96721.26 14574.13 100151.70 14142.24  478.761   37.798  488.101   35.936 -9.339844 52.15498 
1 1 1   44   14    4 f  379.524   16.385 58859.79  5049.26 58379.21  9191.89 59067.47  6042.57  373.817   30.551  379.149   19.696 -5.332001 36.34917 
1 1 1   44   14    5 o  352.359   14.535 50677.16  4158.41 57409.25  7673.45 47878.05  4947.96  372.125   25.551  341.561   17.903 30.56372 31.19887 
1 1 1   44   14    6 o  289.881   13.393 34280.25  3152.37 33468.29  5936.97 34599.04  3720.09  283.397   26.094  290.526   15.830 -7.129486 30.51988 
1 1 1   44   14    7 o  455.944   18.392 85220.59  6808.79 95819.94 12317.79 80557.11  8170.48  477.874   31.929  441.568   22.867 36.30615 39.27288 
1 1 1   44   14    8 o  545.971   22.237 122886.60  9857.83 126609.90 17655.92 121200.20 11882.36  543.564   40.291  539.539   27.211 4.024414 48.61861 
1 1 1   44   14    9 o  300.699   18.048 37259.76  4386.28 37597.25  6627.20 36996.68  5851.28  299.151   27.595  297.821   24.411 1.329712 36.84259 
1 1 1   44   14   10 o  101.666   11.031  4266.75  896.029  5314.53  2198.74  4058.09  981.200  110.848   25.022   98.882   12.500 11.96602 27.97090 
1 1 1   44   14   11 o  378.796   14.911 58963.77  4586.29 61305.24  6546.92 56707.46  6426.75  383.393   21.112  368.478   21.574 14.91534 30.18570 
1 1 1   44   14   12 o  129.650   7.1005  6868.83  744.637  4816.03  970.515  9806.89  1161.07  107.865   11.246  154.677   9.2878 -46.81178 14.58581 
1 1 1   44   14   13 o  252.494   9.6462 26092.20  1977.63 24548.91  2832.35 27560.34  2762.54  243.314   14.401  258.270   13.218 -14.95639 19.54692 
1 1 1   44   14   14 o   44.803   10.304  856.313  367.029  1029.19  412.871  204.904  801.431   49.135   10.655   38.469   15.862 10.66670 19.10848 
1 1 1   44   14   15 o  114.483   9.5332  5415.60  878.122  5808.22  1011.56  4214.93  1768.95  118.341   10.641   97.076   22.826 21.26418 25.18447 
1 1 1   44   14   16 o  133.559   10.218  7391.35  1099.73  7854.64  1260.57  5915.40  2249.97  137.371   11.405  113.830   25.025 23.54077 27.50134 
1 1 1   44   14   17 o   96.621   10.022  3894.84  774.852  3374.42  857.207  6219.55  1811.73   89.286   12.139  118.698   19.473 -29.41201 22.94689 
1 1 1   44   14   18 o   75.927   10.063  2429.44  605.106  1871.31  700.809  4064.61  1199.54   65.501   13.621   96.449   15.869 -30.94831 20.91316 
1 1 1   44   14   19 o  101.223   9.8922  4306.92  802.640  5243.21  976.974  2362.70  1407.83  111.369   10.945   71.036   22.077 40.33311 24.64107 
1 1 1   44   14   20 o  135.484   9.8534  7744.96  1076.53  6318.25  1357.77 10160.08  1766.56  119.865   14.229  152.104   14.478 -32.23955 20.29970 
1 1 1   44   16    0 o  270.851   24.210 30470.10  5268.25   0.0000   0.0000 30470.10  5268.25  ?   ?   270.851   24.210 0.000000 24.21028 
1 1 1   44   16    1 o  268.655   23.899 29963.79  5158.83   0.0000   0.0000 29963.79  5158.83  ?   ?   268.655   23.899 0.000000 23.89883 
1 1 1   44   16    2 o  568.413   42.597 138108.59 19517.07   0.0000   0.0000 138108.59 19517.07  ?   ?   568.413   42.597 0.000000 42.59729 
1 1 1   44   16    3 o  522.576   23.132 112469.40  9815.38 98872.98 17551.40 118656.60 11839.90  478.364   45.745  534.585   27.369 -56.22098 53.30700 
1 1 1   44   16    4 o  158.745   9.4615 10292.53  1214.01  9425.08  2908.81 10475.50  1335.92  149.182   24.891  160.064   10.334 -10.88161 26.95078 
1 1 1   44   16    5 o   11.909   6.0013 -859.6887  268.354  3541.11  1279.88 -1062.0530  274.455   91.427   17.881  ?   ?  0.000000 17.88136 
1 1 1   44   16    6 o  331.821   15.395 45026.71  4147.79 38564.05  7777.32 47595.51  4903.32  301.873   32.228  340.288   17.808 -38.41498 36.82080 
1 1 1   44   16    7 o  475.498   18.900 92878.33  7296.94 104249.60 13264.54 87943.91  8737.87  496.837   33.069  460.687   23.437 36.14999 40.53233 
1 1 1   44   16    8 f  316.127   13.815 40860.52  3546.05 47383.59  6842.28 38465.11  4146.34  336.802   25.203  305.768   16.765 31.03348 30.26931 
1 1 1   44   16    9 o   66.532   17.056  1888.98  925.704  3646.81  1739.24  1194.20  1093.45   91.933   23.277   56.508   19.560 35.42506 30.40370 
1 1 1   44   16   10 o  217.722   12.015 19457.15  2115.87 20965.53  4519.83 19033.82  2394.44  221.947   25.546  214.960   13.791 6.987030 29.03141 
1 1 1   44   16   11 o  211.394   12.371 18398.65  2114.18 18066.35  4869.76 18475.82  2346.89  202.584   30.555  211.496   13.741 -8.911850 33.50239 
1 1 1   44   16   12 o  356.299   15.855 52653.94  4586.92 64179.26  9097.26 48725.08  5311.50  382.637   29.509  340.534   19.289 42.10278 35.25378 
1 1 1   44   16   13 f  237.582   12.931 23367.74  2485.15 27380.50  5458.46 22318.46  2791.22  249.254   27.424  231.425   14.934 17.82829 31.22663 
1 1 1   44   16   14 o  158.243   12.182 10401.97  1553.25 12398.82  4347.27 10109.76  1663.03  161.737   34.174  155.659   13.285 6.078094 36.66504 
1 1 1   44   16   15 o  130.096   8.7574  6974.33  919.690  7038.52  1178.95  6874.55  1469.94  130.071   11.274  127.560   14.447 2.511681 18.32549 
1 1 1   44   16   16 f  145.032   9.4311  8698.76  1104.58 10386.91  1462.42  6456.42  1685.45  157.864   11.488  122.033   17.512 35.83057 20.94345 
1 1 1   44   16   17 o   57.301   10.164  1398.34  455.568  1504.96  471.139 -135.2663  1786.82   59.508   10.112   50.812   22.358 8.696709 24.53817 
1 1 1   44   16   18 o   54.952   10.482  1298.01  450.649  1357.30  463.460  269.714  1930.01   56.207   10.542   54.605   23.641 1.601467 25.88541 
1 1 1   44   16   19 o   30.704   11.388  320.106  377.725  414.393  401.740 -398.5695  1109.14   33.246   11.828   37.529   16.980 -4.282734 20.69391 
1 1 1   44   16   20 o   41.078   11.528  744.614  400.200  682.921  422.849  1274.65  1239.43   39.581   12.065   54.679   20.560 -15.09758 23.83877 
1 1 1   44   18    0 o  129.734   12.175  6923.63  1267.53   0.0000   0.0000  6923.63  1267.53  ?   ?   129.734   12.175 0.000000 12.17525 
1 1 1   44   18    1 o  235.383   11.420 22583.07  2182.56   0.0000   0.0000 22583.07  2182.56  ?   ?   235.383   11.420 0.000000 11.41966 
1 1 1   44   18    2 o  237.416   14.206 23106.66  2725.97   0.0000   0.0000 23106.66  2725.97  ?   ?   237.416   14.206 0.000000 14.20599 
1 1 1   44   18    3 o   69.750   8.6944  2010.36  481.717  1348.45  1725.21  2066.33  501.671   65.174   24.306   70.696   8.9393 -5.521225 25.89774 
1 1 1   44   18    4 o  219.524   10.626 19636.16  1894.03 20492.00  4356.82 19436.73  2103.16  221.208   24.677  217.982   11.928 3.226227 27.40871 
1 1 1   44   18    5 o  349.591   14.223 49957.42  4037.26 50205.32  8523.58 49885.72  4584.11  344.930   30.756  348.991   16.177 -4.060608 34.75120 
1 1 1   44   18    6 o   90.757   10.418  3400.89  753.813  7817.59  2149.17  2781.31  804.952  136.389   20.001   81.603   12.551 54.78610 23.61263 
1 1 1   44   18    7 o  155.946   10.399  9960.55  1309.23 12951.24  3090.42  9306.40  1445.34  175.537   22.177  150.501   11.925 25.03642 25.18030 
1 1 1   44   18    8 o  338.178   15.107 46944.96  4148.10 48337.48  8023.03 46436.91  4846.08  336.807   29.639  335.157   17.872 1.649902 34.61048 
1 1 1   44   18    9 f  143.231   11.211  8441.81  1293.38  4424.45  3028.49  9337.99  1430.39  101.598   32.488  150.583   11.793 -48.98426 34.56215 
1 1 1   44   18   10 o  136.640   11.171  7699.36  1228.57 13970.34  3291.24  6684.07  1324.30  180.751   22.942  126.874   13.041 53.87736 26.38934 
1 1 1   44   18   11 o   77.748   13.400  2560.42  815.381  3142.17  2799.49  2506.50  852.335   88.180   31.240   76.730   14.204 11.44955 34.31742 
1 1 1   44   18   12 f  192.460   12.189 15324.27  1894.91 24625.09  4972.92 13744.45  2049.53  236.921   26.294  181.680   14.001 55.24115 29.78954 
1 1 1   44   18   13 o   62.550   16.036  1697.71  818.237  6097.54  3702.18  1471.76  838.984  113.198   35.891   58.509   16.786 54.68888 39.62217 
1 1 1   44   18   14 o  165.178   12.907 11392.70  1717.34  6585.98  5131.71 11998.91  1822.42  115.595   42.126  169.375   13.360 -53.77943 44.19341 
1 1 1   44   18   15 o   25.347   12.401 -1590.5420  852.677  5804.73  3985.15 -1945.3440  872.892  107.916   37.342   24.235   11.990 83.68163 39.21930 
1 1 1   44   18   16 o  207.628   13.648 18192.32  2287.98 20431.28  6036.37 17816.70  2472.46  195.965   39.304  204.675   14.982 -8.709991 42.06271 
1 1 1   44   18   17 o  160.797   14.163 11059.78  1830.26 10240.08  5777.81 11151.21  1929.63  125.720   44.844  161.018   14.929 -35.29752 47.26337 
1 1 1   44   18   18 o   52.462   18.453  1148.08  975.098   0.0000   0.0000  1148.08  975.098  ?   ?    52.462   18.453 0.000000 18.45315 
1 1 1   44   18   19 o   56.337   25.110  300.477  2326.46   0.0000   0.0000  300.477  2326.46  ?   ?    56.337   25.110 0.000000 25.11039 
1 1 1   44   20    0 o  150.860   13.587  9375.17  1646.52   0.0000   0.0000  9375.17  1646.52  ?   ?   150.860   13.587 0.000000 13.58749 
1 1 1   44   20    1 o   45.407   13.945  842.515  563.599   0.0000   0.0000  842.515  563.599  ?   ?    45.407   13.945 0.000000 13.94483 
1 1 1   44   20    2 o  229.900   10.651 21546.73  1988.16   0.0000   0.0000 21546.73  1988.16  ?   ?   229.900   10.651 0.000000 10.65057 
1 1 1   44   20    3 o  305.609   14.964 38236.63  3713.23 34017.71  8244.48 39310.23  4158.94  280.242   37.147  309.134   16.630 -28.89163 40.70005 
1 1 1   44   20    4 o  226.134   12.392 20948.45  2266.76   0.0000   0.0000 20948.45  2266.76  ?   ?   226.134   12.392 0.000000 12.39250 
1 1 1   44   20    5 o  288.536   12.685 34033.33  2971.82 37795.15  6629.39 33087.26  3324.59  299.104   27.608  283.844   14.473 15.25967 31.17213 
1 1 1   44   20    6 o  207.164   11.677 17593.31  1956.26 17508.77  4255.22 17615.96  2202.84  202.717   26.485  207.027   13.173 -4.310226 29.58020 
1 1 1   44   20    7 o   44.315   14.346  782.472  589.169  5369.24  1688.33  146.459  628.691  112.347   19.197   34.125   14.057 78.22272 23.79371 
1 1 1   44   20    8 f  126.485   18.514  6776.67  1845.10  8071.10  3769.10  6368.71  2115.98  133.204   34.554  121.470   22.275 11.73468 41.11123 
1 1 1   44   20    9 o  121.395   11.089  6091.18  1081.01 16007.43  3281.56  4884.12  1144.91  194.054   21.170  108.129   13.322 85.92490 25.01312 
1 1 1   44   20   10 o  334.910   15.229 46526.82  4141.33 55618.33  8472.68 43672.93  4747.03  354.835   29.680  322.548   18.200 32.28662 34.81567 
1 1 1   44   20   11 o  132.173   12.289  7265.46  1303.77 10827.27  4311.26  6906.94  1367.81  150.800   35.753  128.581   13.293 22.21983 38.14465 
1 1 1   44   20   12 o   29.539   13.351 -351.5555  683.710  7065.05  3112.43 -727.5914  700.828  122.609   31.190   26.788   12.594 95.82114 33.63634 
1 1 1   44   20   13 o  129.728   13.617  7078.96  1412.98  6633.59  4929.76  7118.82  1474.86  115.520   41.399  129.898   14.215 -14.37769 43.77163 
1 1 1   44   20   14 o   70.975   18.530  2236.08  1079.35 -891.6312  3953.59  2487.97  1121.98   70.212   31.884   74.822   18.558 -4.609673 36.89135 
1 1 1   44   20   15 o  115.958   15.481  5791.84  1421.23 14051.16  5681.10  5240.43  1467.91  156.799   43.228  109.553   17.057 47.24511 46.47164 
1 1 1   44   20   16 o  113.729   15.786  5634.98  1418.47  8378.57  6145.61  5480.59  1457.83  115.036   45.123  111.762   16.566 3.273468 48.06808 
1 1 1   44   20   17 o  151.387   15.786 10045.07  1911.92   0.0000   0.0000 10045.07  1911.92  ?   ?   151.387   15.786 0.000000 15.78616 
1 1 1   44   20   18 o   65.121   21.649  2023.08  1338.04   0.0000   0.0000  2023.08  1338.04  ?   ?    65.121   21.649 0.000000 21.64856 
1 1 1   44   20   19 o   71.550   22.257  2648.93  1430.53   0.0000   0.0000  2648.93  1430.53  ?   ?    71.550   22.257 0.000000 22.25694 
1 1 1   44   22    0 o  291.634   18.263 35186.29  4302.79   0.0000   0.0000 35186.29  4302.79  ?   ?   291.634   18.263 0.000000 18.26289 
1 1 1   44   22    1 o  326.249   19.663 44133.87  5184.56   0.0000   0.0000 44133.87  5184.56  ?   ?   326.249   19.663 0.000000 19.66338 
1 1 1   44   22    2 o  480.793   23.383 96295.26  9128.54   0.0000   0.0000 96295.26  9128.54  ?   ?   480.793   23.383 0.000000 23.38325 
1 1 1   44   22    3 f  229.395   11.453 21505.10  2133.34   0.0000   0.0000 21505.10  2133.34  ?   ?   229.395   11.453 0.000000 11.45350 
1 1 1   44   22    4 o  317.596   13.556 41365.14  3495.79 42071.59  7960.06 41196.34  3891.11  311.955   31.873  316.556   15.139 -4.601105 35.28592 
1 1 1   44   22    5 o  467.966   16.660 90438.69  6330.35 115142.30 13616.23 83626.82  7150.06  514.866   32.741  448.524   19.633 66.34268 38.17588 
1 1 1   44   22    6 o  230.804   12.238 21915.65  2285.19 23218.37  5837.55 21679.89  2483.38  229.108   32.274  229.256   13.399 -0.1476440 34.94526 
1 1 1   44   22    7 f  422.537   24.594 76250.75  8401.20 84880.58 12702.70 69541.06 11200.72  433.490   36.427  393.208   35.464 40.28256 50.83900 
1 1 1   44   22    8 o  168.568   12.519 11763.62  1701.23  8885.83  4521.75 12238.14  1836.14  136.383   38.918  171.749   13.269 -35.36655 41.11761 
1 1 1   44   22    9 o   96.136   13.244  3887.12  1006.38  4520.52  4119.09  3846.91  1037.83  103.156   37.719   95.491   13.784 7.664398 40.15844 
1 1 1   44   22   10 o  131.084   12.256  7154.80  1289.38  7773.70  4098.50  7086.82  1358.35  126.476   37.338  130.248   13.018 -3.771545 39.54204 
1 1 1   44   22   11 o  217.678   13.772 19780.70  2421.61 17927.04  6441.70 20085.77  2613.30  186.074   43.428  218.899   14.790 -32.82472 45.87706 
1 1 1   44   22   12 o  134.854   13.294  7640.27  1436.73 12913.67  4626.78  7077.51  1511.45  161.350   36.206  129.276   14.658 32.07434 39.06057 
1 1 1   44   22   13 o  170.505   12.866 12191.51  1768.05 16506.16  5603.51 11714.47  1863.23  177.332   39.884  166.679   13.894 10.65262 42.23432 
1 1 1   44   22   14 o   40.664   17.083  183.098  955.247  1803.87  5539.92  133.433  969.773   88.568   39.150   40.403   17.106 48.16515 42.72387 
1 1 1   44   22   15 o   36.123   16.233 -357.4947  993.710 10736.27  5990.50 -671.3934  1007.67  127.924   45.658   34.014   15.687 93.90961 48.27793 
1 1 1   44   22   16 o   66.038   20.995  2012.40  1266.20   0.0000   0.0000  2012.40  1266.20  ?   ?    66.038   20.995 0.000000 20.99525 
1 1 1   44   22   17 o   42.570   17.990  287.885  1069.51   0.0000   0.0000  287.885  1069.51  ?   ?    42.570   17.990 0.000000 17.99034 
1 1 1   44   22   18 o   24.472   12.278 -2811.5840  1060.59   0.0000   0.0000 -2811.5840  1060.59  ?   ?    24.472   12.278 0.000000 12.27757 
1 1 1   44   24    0 o  383.559   22.435 61933.10  6956.77   0.0000   0.0000 61933.10  6956.77  ?   ?   383.559   22.435 0.000000 22.43535 
1 1 1   44   24    1 o  280.253   18.825 32797.49  4258.85   0.0000   0.0000 32797.49  4258.85  ?   ?   280.253   18.825 0.000000 18.82483 
1 1 1   44   24    2 o   72.065   18.885  2240.60  1118.40   0.0000   0.0000  2240.60  1118.40  ?   ?    72.065   18.885 0.000000 18.88507 
1 1 1   44   24    3 o  210.081   11.996 18171.27  2037.80   0.0000   0.0000 18171.27  2037.80  ?   ?   210.081   11.996 0.000000 11.99613 
1 1 1   44   24    4 o  136.286   9.2802  7628.54  1020.83 12260.41  3781.33  7264.42  1060.20  166.140   29.091  132.873   9.8978 33.26735 30.72825 
1 1 1   44   24    5 o  284.415   13.334 33363.74  3079.35 41669.59  7490.55 31674.56  3378.00  306.734   30.479  276.116   15.125 30.61719 34.02549 
1 1 1   44   24    6 o  245.221   18.359 25342.53  3628.90 26632.30  7103.13 24887.00  4221.37  238.127   38.015  241.214   21.788 -3.087158 43.81680 
1 1 1   44   24    7 o   61.155   13.513  1606.24  653.131  378.686  3737.27  1644.91  663.339   76.181   32.940   61.888   13.574 14.29299 35.62751 
1 1 1   44   24    8 o  132.153   11.314  7245.52  1202.31 10501.19  4857.10  7033.01  1240.93  145.173   39.949  130.043   11.884 15.12979 41.67883 
1 1 1   44   24    9 o   76.449   15.654  2529.36  939.033  9393.99  4724.81  2247.06  958.147  136.178   40.057   71.757   16.750 64.42113 43.41803 
1 1 1   44   24   10 o   88.587   15.952  3390.18  1105.23  4972.95  5061.52  3310.94  1132.56  105.645   41.086   87.330   16.578 18.31516 44.30452 
1 1 1   44   24   11 o   28.130   13.316 -910.8586  808.118 -1012.3370  4886.42 -908.0050  819.401   76.995   35.150   28.424   13.441 48.57095 37.63190 
1 1 1   44   24   12 o   96.223   15.175  3995.31  1146.31  6041.34  4954.87  3879.61  1178.27  108.291   41.020   94.523   15.918 13.76846 44.00058 
1 1 1   44   24   13 o  102.607   15.809  4579.87  1274.80  9005.41  5454.39  4324.15  1311.12  122.800   43.595   99.197   16.883 23.60355 46.75006 
1 1 1   44   24   14 o  118.186   15.820  6098.13  1480.07 12157.99  7380.89  5844.24  1510.76  127.765   49.635  115.254   16.624 12.51128 52.34493 
1 1 1   44   24   15 o   38.056   16.957 -237.0140  1060.22   0.0000   0.0000 -237.0140  1060.22  ?   ?    38.056   16.957 0.000000 16.95748 
1 1 1   44   24   16 o   28.462   13.784 -1431.2520  981.894   0.0000   0.0000 -1431.2520  981.894  ?   ?    28.462   13.784 0.000000 13.78437 
1 1 1   44   24   17 o   82.301   23.208  3554.52  1617.92   0.0000   0.0000  3554.52  1617.92  ?   ?    82.301   23.208 0.000000 23.20809 
1 1 1   44   26    0 o   71.058   18.442  2197.91  1073.31   0.0000   0.0000  2197.91  1073.31  ?   ?    71.058   18.442 0.000000 18.44227 
1 1 1   44   26    1 o   73.055   19.578  2328.78  1184.92   0.0000   0.0000  2328.78  1184.92  ?   ?    73.055   19.578 0.000000 19.57838 
1 1 1   44   26    2 o  252.064   19.063 26901.41  3872.68   0.0000   0.0000 26901.41  3872.68  ?   ?   252.064   19.063 0.000000 19.06272 
1 1 1   44   26    3 f  137.738   18.743  8120.28  2041.72   0.0000   0.0000  8120.28  2041.72  ?   ?   137.738   18.743 0.000000 18.74260 
1 1 1   44   26    4 o  135.719   20.488  7976.01  2187.50   0.0000   0.0000  7976.01  2187.50  ?   ?   135.719   20.488 0.000000 20.48837 
1 1 1   44   26    5 o  134.218   10.571  7453.64  1142.67 16252.93  5028.87  6974.60  1173.36  185.464   34.669  129.641   11.259 55.82294 36.45135 
1 1 1   44   26    6 o  202.219   11.880 16949.75  1942.11 21901.99  6258.82 16422.11  2042.96  212.512   37.650  198.736   12.727 13.77554 39.74308 
1 1 1   44   26    7 o  208.721   12.802 18138.28  2159.10 14389.25  6749.62 18565.63  2278.84  160.959   48.011  210.936   13.374 -49.97777 49.83898 
1 1 1   44   26    8 o  147.003   12.118  9016.56  1433.49 18549.16  5678.08  8367.63  1481.48  193.157   37.556  141.270   13.063 51.88728 39.76319 
1 1 1   44   26    9 o  110.132   13.441  5132.54  1177.04 11819.14  5199.94  4771.43  1208.40  148.391   41.523  105.803   14.443 42.58805 43.96306 
1 1 1   44   26   10 o   36.961   15.295  195.789  748.938  328.036  5868.24  193.600  755.113   86.333   39.060   37.059   15.349 49.27309 41.96742 
1 1 1   44   26   11 o  114.934   15.645  5706.46  1422.06  3855.10  5875.94  5821.65  1465.63   97.621   41.743  115.956   15.992 -18.33427 44.70140 
1 1 1   44   26   12 o  113.404   16.814  5645.70  1501.37  9858.17  7393.47  5464.53  1533.32  120.202   48.699  111.166   17.571 9.035255 51.77225 
1 1 1   44   26   13 o  120.051   16.082  6331.87  1528.23 15985.10  6871.63  5829.57  1567.49  147.831   49.056  114.386   17.428 33.44398 52.05931 
1 1 1   44   26   14 o  222.338   16.243 21813.63  2912.15   0.0000   0.0000 21813.63  2912.15  ?   ?   222.338   16.243 0.000000 16.24340 
1 1 1   44   26   15 o   56.627   20.722  1401.16  1243.54   0.0000   0.0000  1401.16  1243.54  ?   ?    56.627   20.722 0.000000 20.72161 
1 1 1   44   26   16 o   30.615   14.740 -1327.4110  1083.31   0.0000   0.0000 -1327.4110  1083.31  ?   ?    30.615   14.740 0.000000 14.74034 
1 1 1   44   28    0 o  260.548   20.178 29219.65  4235.45   0.0000   0.0000 29219.65  4235.45  ?   ?   260.548   20.178 0.000000 20.17780 
1 1 1   44   28    1 o  196.680   19.259 16621.83  3036.13   0.0000   0.0000 16621.83  3036.13  ?   ?   196.680   19.259 0.000000 19.25887 
1 1 1   44   28    2 o  148.684   19.201  9555.39  2263.87   0.0000   0.0000  9555.39  2263.87  ?   ?   148.684   19.201 0.000000 19.20059 
1 1 1   44   28    3 f   75.183   25.337  2420.34  1832.32   0.0000   0.0000  2420.34  1832.32  ?   ?    75.183   25.337 0.000000 25.33673 
1 1 1   44   28    4 o  297.171   13.886 36849.55  3350.70   0.0000   0.0000 36849.55  3350.70  ?   ?   297.171   13.886 0.000000 13.88644 
1 1 1   44   28    5 o  296.198   13.684 36622.62  3291.16 56097.19  9567.86 34009.10  3505.05  340.639   35.095  284.132   15.248 56.50656 38.26455 
1 1 1   44   28    6 o  166.878   13.023 11674.28  1750.64  8553.09  6926.10 11887.29  1809.40  124.075   48.115  168.267   13.353 -44.19219 49.93332 
1 1 1   44   28    7 o   45.476   14.184  866.470  580.550 -619.7042  4552.24  891.041  585.330   75.457   34.245   46.018   14.224 29.43854 37.08165 
1 1 1   44   28    8 o   64.608   15.791  1838.71  821.430  3958.27  5020.80  1780.42  832.649   96.731   39.771   63.533   16.116 33.19741 42.91261 
1 1 1   44   28    9 o   31.297   13.896 -206.0759  705.448 -8945.7109  6072.68 -86.5220  710.257   64.810   31.981   32.680   14.244 32.13071 35.00986 
1 1 1   44   28   10 o  104.560   15.073  4742.23  1242.72  998.349  6681.01  4876.41  1264.79   88.377   40.625  106.034   15.119 -17.65711 43.34737 
1 1 1   44   28   11 o  248.320   14.945 26524.73  2999.34 41945.63 10751.74 25223.40  3123.33  238.157   56.460  241.107   16.046 -2.949768 58.69550 
1 1 1   44   28   12 o  169.397   15.480 12547.69  2105.66   0.0000   0.0000 12547.69  2105.66  ?   ?   169.397   15.480 0.000000 15.47998 
1 1 1   44   28   13 o   92.549   19.052  4016.50  1383.94   0.0000   0.0000  4016.50  1383.94  ?   ?    92.549   19.052 0.000000 19.05155 
1 1 1   44   28   14 o  104.833   20.930  5383.16  1719.17   0.0000   0.0000  5383.16  1719.17  ?   ?   104.833   20.930 0.000000 20.92967 
1 1 1   44   28   15 o   30.476   15.086 -2642.2920  1389.73   0.0000   0.0000 -2642.2920  1389.73  ?   ?    30.476   15.086 0.000000 15.08649 
1 1 1   44   30    0 o  128.522   23.526  7523.10  2364.58   0.0000   0.0000  7523.10  2364.58  ?   ?   128.522   23.526 0.000000 23.52583 
1 1 1   44   30    1 o  180.042   22.037 14429.10  3154.23   0.0000   0.0000 14429.10  3154.23  ?   ?   180.042   22.037 0.000000 22.03650 
1 1 1   44   30    2 o   50.502   21.611  175.852  1577.15   0.0000   0.0000  175.852  1577.15  ?   ?    50.502   21.611 0.000000 21.61124 
1 1 1   44   30    3 o  138.958   25.108  8905.38  2728.68   0.0000   0.0000  8905.38  2728.68  ?   ?   138.958   25.108 0.000000 25.10812 
1 1 1   44   30    4 o   96.805   10.078  3915.29  780.529   0.0000   0.0000  3915.29  780.529  ?   ?    96.805   10.078 0.000000 10.07787 
1 1 1   44   30    5 o   50.397   11.363  1096.90  453.872   0.0000   0.0000  1096.90  453.872  ?   ?    50.397   11.363 0.000000 11.36290 
1 1 1   44   30    6 o  115.258   11.150  5577.40  1030.46  6295.44  6315.83  5557.76  1044.45  107.920   44.517  114.992   11.334 -7.071640 45.93684 
1 1 1   44   30    7 o  103.277   12.847  4546.92  1054.06   0.0000   0.0000  4546.92  1054.06  ?   ?   103.277   12.847 0.000000 12.84733 
1 1 1   44   30    8 o   86.116   15.104  3251.10  1017.59 15291.57  7807.94  3043.06  1026.34  141.217   51.886   82.976   15.811 58.24177 54.24129 
1 1 1   44   30    9 o  203.224   13.737 17665.63  2253.46 32683.25  9914.02 16847.47  2314.03  201.087   57.705  197.871   14.504 3.215408 59.49953 
1 1 1   44   30   10 o  146.815   14.914  9402.60  1753.25   0.0000   0.0000  9402.60  1753.25  ?   ?   146.815   14.914 0.000000 14.91447 
1 1 1   44   30   11 f   59.050   20.135  1578.17  1157.33   0.0000   0.0000  1578.17  1157.33  ?   ?    59.050   20.135 0.000000 20.13511 
1 1 1   44   30   12 o  160.051   16.352 11589.99  2095.20   0.0000   0.0000 11589.99  2095.20  ?   ?   160.051   16.352 0.000000 16.35198 
1 1 1   44   30   13 o   42.048   18.552   52.457  1238.35   0.0000   0.0000   52.457  1238.35  ?   ?    42.048   18.552 0.000000 18.55197 
1 1 1   44   32    0 o  108.677   38.683  6698.27  4297.26   0.0000   0.0000  6698.27  4297.26  ?   ?   108.677   38.683 0.000000 38.68328 
1 1 1   44   32    1 o  209.384   44.682 26131.76  7365.15   0.0000   0.0000 26131.76  7365.15  ?   ?   209.384   44.682 0.000000 44.68222 
1 1 1   44   32    2 o   99.073   38.641  5234.14  4487.03   0.0000   0.0000  5234.14  4487.03  ?   ?    99.073   38.641 0.000000 38.64107 
1 1 1   44   32    3 o  325.686   46.171 64371.75 11867.91   0.0000   0.0000 64371.75 11867.91  ?   ?   325.686   46.171 0.000000 46.17122 
1 1 1   44   32    4 o  142.385   11.387  8539.39  1305.48   0.0000   0.0000  8539.39  1305.48  ?   ?   142.385   11.387 0.000000 11.38713 
1 1 1   44   32    5 o   76.084   10.526  2458.01  632.860   0.0000   0.0000  2458.01  632.860  ?   ?    76.084   10.526 0.000000 10.52604 
1 1 1   44   32    6 o   73.808   11.854  2346.38  686.344   0.0000   0.0000  2346.38  686.344  ?   ?    73.808   11.854 0.000000 11.85371 
1 1 1   44   32    7 o   86.057   12.701  3205.82  860.824   0.0000   0.0000  3205.82  860.824  ?   ?    86.057   12.701 0.000000 12.70123 
1 1 1   44   32    8 o  154.118   14.020 10323.13  1735.31   0.0000   0.0000 10323.13  1735.31  ?   ?   154.118   14.020 0.000000 14.02049 
1 1 1   44   32    9 o   67.540   18.089  2144.48  1011.85   0.0000   0.0000  2144.48  1011.85  ?   ?    67.540   18.089 0.000000 18.08869 
1 1 1   44   32   10 o   39.918   16.864  259.175  939.312   0.0000   0.0000  259.175  939.312  ?   ?    39.918   16.864 0.000000 16.86402 
1 1 1   44   32   11 o  114.637   17.093  6150.56  1542.43   0.0000   0.0000  6150.56  1542.43  ?   ?   114.637   17.093 0.000000 17.09333 
1 1 1   44   34    0 o   66.190   26.820  1666.39  2242.68   0.0000   0.0000  1666.39  2242.68  ?   ?    66.190   26.820 0.000000 26.81979 
1 1 1   44   34    1 o   78.613   30.835  3007.41  2869.58   0.0000   0.0000  3007.41  2869.58  ?   ?    78.613   30.835 0.000000 30.83451 
1 1 1   44   34    2 o  246.536   27.990 30858.15  5503.71   0.0000   0.0000 30858.15  5503.71  ?   ?   246.536   27.990 0.000000 27.99006 
1 1 1   44   34    3 o  231.613   28.499 27579.84  5246.58   0.0000   0.0000 27579.84  5246.58  ?   ?   231.613   28.499 0.000000 28.49936 
1 1 1   44   34    4 o   81.453   32.165  3494.81  3142.29   0.0000   0.0000  3494.81  3142.29  ?   ?    81.453   32.165 0.000000 32.16469 
1 1 1   44   34    5 o   74.431   11.032  2389.78  646.515   0.0000   0.0000  2389.78  646.515  ?   ?    74.431   11.032 0.000000 11.03152 
1 1 1   44   34    6 o   37.008   12.675  555.801  458.659   0.0000   0.0000  555.801  458.659  ?   ?    37.008   12.675 0.000000 12.67537 
1 1 1   44   34    7 o   54.008   13.707  1323.22  602.110   0.0000   0.0000  1323.22  602.110  ?   ?    54.008   13.707 0.000000 13.70708 
1 1 1   44   34    8 o   40.301   14.927  625.213  648.485   0.0000   0.0000  625.213  648.485  ?   ?    40.301   14.927 0.000000 14.92713 
1 1 1   44   34    9 o   31.788   13.908 -17.9595  682.890   0.0000   0.0000 -17.9595  682.890  ?   ?    31.788   13.908 0.000000 13.90803 
1 1 1   44   36    0 o   48.529   22.516 -652.8485  2121.91   0.0000   0.0000 -652.8485  2121.91  ?   ?    48.529   22.516 0.000000 22.51568 
1 1 1   44   36    1 o  118.239   35.420  9429.00  3667.88   0.0000   0.0000  9429.00  3667.88  ?   ?   118.239   35.420 0.000000 35.42034 
1 1 1   44   36    2 o   88.025   34.110  5340.08  3478.99   0.0000   0.0000  5340.08  3478.99  ?   ?    88.025   34.110 0.000000 34.11012 
1 1 1   44   36    3 o   68.978   30.680  2069.35  3453.66   0.0000   0.0000  2069.35  3453.66  ?   ?    68.978   30.680 0.000000 30.67976 
1 1 1   44   36    4 o   79.372   32.453  4172.63  3319.91   0.0000   0.0000  4172.63  3319.91  ?   ?    79.372   32.453 0.000000 32.45308 
1 1 1   44   36    5 o   40.383   11.963  726.821  420.159   0.0000   0.0000  726.821  420.159  ?   ?    40.383   11.963 0.000000 11.96341 
1 1 1   44   36    6 o   54.996   13.140  1392.22  578.725   0.0000   0.0000  1392.22  578.725  ?   ?    54.996   13.140 0.000000 13.13974 
1 1 1   44   38    0 o   99.988   40.813 12607.52  5239.55   0.0000   0.0000 12607.52  5239.55  ?   ?    99.988   40.813 0.000000 40.81330 
1 1 1   44   38    1 o   99.694   42.383 14624.37  5994.23   0.0000   0.0000 14624.37  5994.23  ?   ?    99.694   42.383 0.000000 42.38289 
1 1 1   44   38    2 o   49.601   24.504 -2776.2029  3601.21   0.0000   0.0000 -2776.2029  3601.21  ?   ?    49.601   24.504 0.000000 24.50446 
1 1 1   45    1    0 o  223.883   19.570 20596.55  3521.84 20596.55  3521.84   0.0000   0.0000  223.883   19.570  ?   ?  0.000000 19.57027 
1 1 1   45    1    1 o  339.520   25.755 47454.65  7047.25 47454.65  7047.25   0.0000   0.0000  339.520   25.755  ?   ?  0.000000 25.75509 
1 1 1   45    1    2 o  520.870   25.928 111154.70 10965.62 112873.20 15484.50 109425.80 15531.06  521.256   36.822  512.965   37.549 8.291199 52.59122 
1 1 1   45    1    3 f  596.172   24.692 145615.00 11952.81 162548.70 20533.57 136936.09 14700.13  623.798   40.764  575.656   31.570 48.14264 51.55963 
1 1 1   45    1    4 o  471.201   19.717 90711.63  7543.86 97835.54 12901.97 87010.90  9299.11  485.575   32.918  459.954   24.993 25.62137 41.33109 
1 1 1   45    1    5 o  385.438   14.759 60538.72  4619.03 63089.11  6528.39 57982.22  6536.20  392.261   20.569  375.829   21.508 16.43182 29.76034 
1 1 1   45    1    6 o  121.805   8.1454  6057.50  800.955  6464.21  1282.21  5797.24  1025.69  125.355   12.776  118.891   10.741 6.463921 16.69109 
1 1 1   45    1    7 o  383.552   16.687 60044.42  5196.79 56483.80  6409.23 66878.09  8879.12  370.774   21.380  402.099   27.358 -31.32544 34.72134 
1 1 1   45    1    8 o  275.964   10.670 30991.24  2390.90 32711.79  3381.64 29271.49  3380.85  282.833   14.776  267.384   15.640 15.44870 21.51661 
1 1 1   45    1    9 o   59.447   8.7288  1467.80  408.785  899.031  600.434  1959.20  558.103   46.947   14.389   68.625   10.337 -21.67780 17.71717 
1 1 1   45    1   10 o   85.491   8.0682  2998.47  553.441  2773.51  763.178  3247.99  803.767   81.667   11.856   88.569   11.444 -6.902184 16.47799 
1 1 1   45    1   11 o  300.138   14.205 36781.36  3461.67 32554.53  6225.46 38673.20  4164.92  278.824   27.872  306.970   16.773 -28.14624 32.52950 
1 1 1   45    1   12 o  606.141   20.999 151359.20 10335.15 153761.70 14630.29 148966.09 14601.97  606.539   29.707  595.987   30.274 10.55115 42.41448 
1 1 1   45    1   13 o  503.187   18.274 104276.90  7466.21 109320.80 10571.97 99257.95 10545.72  511.810   25.440  486.290   26.812 25.51926 36.95990 
1 1 1   45    1   14 o  170.322   9.0787 11868.63  1251.03 13834.58  1774.18  9924.51  1764.30  183.432   11.978  154.794   14.195 28.63799 18.57338 
1 1 1   45    1   15 o  236.882   10.719 22985.90  2061.72 23413.77  2923.30 22562.44  2908.18  237.538   15.237  233.090   15.454 4.447632 21.70208 
1 1 1   45    1   16 o  242.805   10.972 24210.66  2163.04 23835.65  3060.18 24585.09  3057.83  238.951   15.863  242.804   15.593 -3.853363 22.24315 
1 1 1   45    1   17 f   80.556   11.082  2719.76  705.688  3093.52  995.468  2342.18  1000.54   85.035   14.964   73.318   17.118 11.71646 22.73621 
1 1 1   45    1   18 o   92.316   12.150  3588.01  888.616  3837.21  1248.05  3331.80  1265.52   94.058   16.966   87.040   18.478 7.017998 25.08520 
1 1 1   45    1   19 o  144.080   25.972  9599.24  2926.68 10142.59  3712.46  8707.15  4756.95  143.336   32.631  126.495   40.745 16.84035 52.20066 
1 1 1   45    1   20 o  180.691   11.005 13652.78  1606.92 11875.36  2240.33 15536.17  2306.15  165.213   16.940  190.456   15.035 -25.24333 22.64981 
1 1 1   45    1   21 o   99.942   13.415  4328.75  1061.14  4666.65  1472.35  3963.54  1530.71  101.079   18.626   91.630   21.021 9.449760 28.08537 
1 1 1   45    1   22 o   78.856   14.519  2797.41  895.388  3576.52  1231.90  1924.85  1303.69   87.349   17.969   63.417   21.372 23.93202 27.92173 
1 1 1   45    3    0 o  663.249   32.693 181016.91 17606.49 180617.20 24872.44 181418.41 24926.34  656.320   46.984  657.784   46.979 -1.464111 66.44157 
1 1 1   45    3    1 o  466.743   33.724 90227.68 12694.83 90227.68 12694.83   0.0000   0.0000  466.743   33.724  ?   ?  0.000000 33.72438 
1 1 1   45    3    2 o  807.297   41.044 271635.31 26815.39 271635.31 26815.39   0.0000   0.0000  807.297   41.044  ?   ?  0.000000 41.04356 
1 1 1   45    3    3 o  541.352   21.563 119840.80  9478.04 116173.00 11542.92 127431.90 16605.81  531.299   26.844  553.154   37.188 -21.85455 45.86472 
1 1 1   45    3    4 o  227.262   14.322 21122.55  2629.24 25109.89  3508.02 16011.78  3971.58  247.445   17.574  195.926   25.575 51.51917 31.03151 
1 1 1   45    3    5 o  782.774   32.066 253207.70 20380.94 270508.31 35082.68 244394.59 25039.67  794.255   54.734  764.070   40.505 30.18524 68.09134 
1 1 1   45    3    6 o  377.289   16.941 58094.37  5189.88 75026.30  8801.95 49070.56  6425.71  426.610   25.528  345.237   23.055 81.37308 34.39769 
1 1 1   45    3    7 o   85.498   7.3016  2992.44  502.029  2883.85  706.607  3103.13  713.392   83.515   10.664   86.726   10.334 -3.210594 14.84949 
1 1 1   45    3    8 o  109.122   8.2813  4869.08  728.280  5290.18  911.047  4123.62  1212.15  113.597   9.9784   99.359   15.533 14.23774 18.46232 
1 1 1   45    3    9 o  407.194   15.413 67686.52  5096.08 68696.91  7221.50 66684.25  7192.48  408.529   21.850  402.419   22.097 6.109680 31.07523 
1 1 1   45    3   10 o  252.259   10.289 25905.09  2107.43 26223.31  2995.82 25593.35  2965.12  253.035   14.644  249.962   14.674 3.072906 20.73067 
1 1 1   45    3   11 o  274.815   11.709 30782.47  2612.74 30888.19  3723.88 30679.97  3666.74  274.211   16.806  273.322   16.601 0.8892212 23.62282 
1 1 1   45    3   12 o  684.606   23.977 194033.41 13328.34 198072.91 18890.19 190028.91 18808.31  685.058   33.960  669.661   34.710 15.39740 48.55975 
1 1 1   45    3   13 o   68.934   11.045  1987.59  597.340  4030.32  875.020  204.810  817.448   98.751   11.105   39.086   16.056 59.66544 19.52283 
1 1 1   45    3   14 o  149.047   8.7312  9091.99  1052.05  9498.98  1529.00  8726.08  1449.79  151.727   12.523  145.405   12.398 6.322296 17.62202 
1 1 1   45    3   15 o  121.485   9.2546  6067.15  906.025  5372.49  1262.80  6804.09  1300.66  113.326   14.023  128.034   12.678 -14.70805 18.90421 
1 1 1   45    3   16 f  103.035   10.084  4393.10  832.831  5067.64  1168.83  3697.46  1186.98  110.005   13.360   92.969   16.319 17.03677 21.09064 
1 1 1   45    3   17 o  151.854   9.7649  9504.85  1197.63  9773.86  1717.31  9250.14  1671.05  152.809   13.996  148.621   14.013 4.187790 19.80552 
1 1 1   45    3   18 o   59.798   15.239  1556.03  742.080  1617.59  1026.78  1488.71  1073.71   61.332   18.820   59.580   19.373 1.752197 27.00915 
1 1 1   45    3   19 f   38.855   15.169  414.012  692.010 -1240.0630  883.732  3035.96  1112.64   27.857   13.387   83.022   17.075 -55.16458 21.69776 
1 1 1   45    3   20 o   34.931   14.541  160.188  682.708 -185.7433  974.638  493.436  956.604   37.255   16.447   44.031   17.630 -6.775944 24.11031 
1 1 1   45    3   21 o   95.819   12.899  3969.09  978.065  3690.42  1362.45  4265.40  1404.91   89.145   19.376   96.453   18.613 -7.307724 26.86778 
1 1 1   45    3   22 o   40.739   16.074  516.283  784.182   24.888  1077.41  1069.86  1143.55   39.951   17.475   51.745   19.681 -11.79385 26.31957 
1 1 1   45    5    0 o   51.918   7.5510  1118.16  308.992  1108.95  347.609  1152.86  674.521   51.545   8.6092   52.596   15.039 -1.051258 17.32879 
1 1 1   45    5    1 o  344.111   18.864 48469.11  5250.58 55608.62  7269.89 40684.14  7591.41  367.677   24.492  313.055   30.242 54.62201 38.91521 
1 1 1   45    5    2 o  1029.35   52.584 449814.00 43802.89 478273.91 61773.63 421033.00 62121.09  1040.13   73.619  968.981   79.661 71.14789 108.4701 
1 1 1   45    5    3 o  998.041   36.420 413305.81 29513.89 417242.31 41672.40 409343.91 41805.80  990.588   51.992  980.536   52.702 10.05151 74.03191 
1 1 1   45    5    4 o   53.425   9.1238  1193.01  381.576  1499.83  445.800  352.313  737.938   60.008   9.4630   39.556   15.598 20.45204 18.24372 
1 1 1   45    5    5 o  258.483   12.049 27195.89  2528.88 27171.37  3063.79 27248.30  4479.55  257.788   14.698  257.097   21.660 0.6907654 26.17633 
1 1 1   45    5    6 o  445.023   19.383 80975.55  7003.85 85149.40  8550.48 72464.70 12209.80  455.076   23.217  415.778   36.537 39.29807 43.29013 
1 1 1   45    5    7 o  846.912   44.275 303473.50 30340.87 337831.50 42714.20 268483.19 43105.43  878.893   60.218  774.230   69.301 104.6630 91.80878 
1 1 1   45    5    8 o  522.587   21.257 111973.00  9019.84 117137.20 15462.91 109309.60 11104.88  528.436   36.257  514.223   26.688 14.21301 45.02055 
1 1 1   45    5    9 o  734.850   29.447 223811.41 17570.26 237730.30 30279.25 216745.41 21573.92  741.291   50.608  717.979   37.134 23.31256 62.77023 
1 1 1   45    5   10 o  624.800   21.757 160486.70 11037.74 173302.00 15650.60 147804.50 15569.17  645.725   29.850  594.313   32.386 51.41211 44.04382 
1 1 1   45    5   11 o  478.697   17.169 93856.16  6673.25 97187.64  9479.68 90583.48  9395.69  485.066   24.069  467.413   24.846 17.65237 34.59217 
1 1 1   45    5   12 o   87.793   11.725  3199.71  814.914  3570.28  1756.73  3098.11  919.874   91.167   23.561   86.034   13.622 5.132828 27.21554 
1 1 1   45    5   13 o   88.363   9.5452  3220.51  673.966  3797.39  970.622  2683.42  936.553   95.498   12.843   79.594   15.043 15.90390 19.77949 
1 1 1   45    5   14 o   21.303   10.065 -528.1962  457.623   93.825  634.200 -1203.8680  660.985   33.510   13.988   22.689   11.061 10.82105 17.83278 
1 1 1   45    5   15 o   68.120   11.092  1950.88  592.376  1981.72  862.370  1923.33  815.119   67.828   15.930   66.880   15.337 0.9476776 22.11296 
1 1 1   45    5   16 f   54.186   13.944  1261.01  617.070  605.113  852.237  1983.81  894.646   44.690   16.992   67.669   16.444 -22.97872 23.64620 
1 1 1   45    5   17 o  288.300   12.299 34367.24  2879.19 32810.27  4119.75 35853.74  4025.45  278.095   18.348  291.584   17.077 -13.48889 25.06528 
1 1 1   45    5   18 o   96.819   10.935  3919.27  844.566  4293.25  1195.92  3547.20  1192.88  100.130   15.186   90.287   16.893 9.843163 22.71509 
1 1 1   45    5   19 o   45.900   15.804  829.943  713.397  651.582  936.716  1076.28  1100.83   46.020   17.737   53.575   19.513 -7.554760 26.36940 
1 1 1   45    5   20 o   27.611   12.583 -355.7654  622.856 -983.7823  840.942  407.434  927.042   28.236   13.429   42.475   17.232 -14.23852 21.84656 
1 1 1   45    5   21 o   55.127   16.519  1365.24  797.674  2939.33  1000.12 -1386.5980  1322.36   80.897   15.793   35.343   16.818 45.55423 23.07055 
1 1 1   45    5   22 o   60.803   16.750  1732.82  853.327  1769.44  1047.38  1660.54  1471.64   60.913   19.060   60.254   22.453 0.6589394 29.45234 
1 1 1   45    7    0 o  395.061   29.777 64629.95  9481.63   0.0000   0.0000 64629.95  9481.63  ?   ?   395.061   29.777 0.000000 29.77728 
1 1 1   45    7    1 o  568.036   41.248 135361.91 18895.06   0.0000   0.0000 135361.91 18895.06  ?   ?   568.036   41.248 0.000000 41.24834 
1 1 1   45    7    2 o  220.992   13.774 19968.38  2459.30 23854.33  3629.65 16670.31  3343.84  240.961   18.698  200.836   20.807 40.12451 27.97412 
1 1 1   45    7    3 o  979.284   40.816 400795.81 32455.00 425341.69 39738.86 351628.19 56242.67  1002.68   48.811  880.349   79.541 122.3318 93.32304 
1 1 1   45    7    4 o  231.454   9.2048 21782.49  1729.88 21426.27  2404.77 22164.51  2490.31  229.015   12.986  232.913   13.223 -3.897827 18.53274 
1 1 1   45    7    5 o  964.973   35.047 386828.31 27460.07 416462.41 38811.90 357125.31 38856.95  991.247   48.222  912.982   52.640 78.26556 71.38835 
1 1 1   45    7    6 o  442.991   16.332 80095.12  5874.41 87154.69  8306.38 73031.20  8308.95  461.070   22.187  420.950   24.414 40.12003 32.99010 
1 1 1   45    7    7 o   79.537   8.2939  2599.92  527.748  2268.06  641.315  3296.09  928.868   73.841   11.035   88.974   13.263 -15.13248 17.25300 
1 1 1   45    7    8 o  599.465   25.279 148054.09 12304.26 160029.91 15074.18 124146.30 21298.60  621.442   29.874  536.090   49.489 85.35266 57.80646 
1 1 1   45    7    9 o  296.671   22.241 36375.79  5318.58 36375.79  5318.58   0.0000   0.0000  296.671   22.241  ?   ?  0.000000 22.24099 
1 1 1   45    7   10 o  364.337   15.167 54239.36  4486.87 50180.69  7595.69 56414.65  5560.75  346.991   27.177  370.998   18.460 -24.00684 32.85313 
1 1 1   45    7   11 o  416.533   16.837 71081.01  5694.52 62172.67  9682.22 75792.13  7041.08  384.162   31.312  429.263   20.201 -45.10089 37.26333 
1 1 1   45    7   12 o  563.774   19.990 131094.09  9150.59 133450.50 12999.75 128779.80 12882.81  563.628   28.498  553.479   28.765 10.14801 40.49189 
1 1 1   45    7   13 o  273.629   11.320 30607.35  2515.11 32944.05  3601.53 28382.98  3513.89  282.552   15.761  261.964   16.606 20.58841 22.89461 
1 1 1   45    7   14 o  170.674   9.2411 11932.73  1275.88 13217.69  1817.10 10683.16  1791.90  178.997   12.582  160.537   13.883 18.45990 18.73679 
1 1 1   45    7   15 o   93.727   9.5886  3632.19  719.451  3985.68  1004.81  3260.33  1030.59   97.530   13.013   87.575   15.035 9.954796 19.88433 
1 1 1   45    7   16 o   65.059   11.723  1794.85  596.490  1436.35  846.677  2148.13  840.484   57.992   16.928   70.599   15.118 -12.60737 22.69593 
1 1 1   45    7   17 o  162.539   9.4990 10885.58  1248.18 11173.35  1753.61 10590.08  1777.01  163.538   13.322  158.984   13.905 4.553314 19.25713 
1 1 1   45    7   18 o  109.126   10.079  4950.73  882.958  5145.83  1213.80  4731.46  1286.77  110.155   13.879  104.987   15.566 5.167473 20.85506 
1 1 1   45    7   19 o   90.161   10.855  3420.08  778.683  3646.44  1016.85  3099.13  1210.82   92.108   14.040   83.249   18.402 8.859459 23.14670 
1 1 1   45    7   20 o   57.370   15.478  1463.87  737.647  1989.82  914.958  487.227  1246.80   66.454   16.914   47.927   19.776 18.52716 26.02212 
1 1 1   45    7   21 o   74.300   12.902  2420.30  750.110  1894.20  922.304  3448.21  1289.19   64.069   17.317   85.860   18.996 -21.79105 25.70398 
1 1 1   45    7   22 o  135.740   12.177  8021.19  1327.83  8223.47  1759.46  7753.56  2023.85  133.806   16.547  126.252   20.441 7.554184 26.29929 
1 1 1   45    9    0 o  464.074   34.432 89807.11 12881.92   0.0000   0.0000 89807.11 12881.92  ?   ?   464.074   34.432 0.000000 34.43201 
1 1 1   45    9    1 o  139.454   16.591  8045.81  1841.77   0.0000   0.0000  8045.81  1841.77  ?   ?   139.454   16.591 0.000000 16.59107 
1 1 1   45    9    2 o  226.775   14.477 21043.97  2651.81 21519.53  3910.44 20639.08  3608.21  228.296   21.343  223.757   20.073 4.538803 29.29965 
1 1 1   45    9    3 o  249.844   14.892 25537.68  3007.26 29760.92  4422.52 21905.43  4101.43  268.940   20.404  230.176   22.221 38.76425 30.16834 
1 1 1   45    9    4 o  279.798   15.354 32023.68  3474.83 37669.84  4223.44 20193.97  6113.31  303.254   17.223  217.680   35.835 85.57408 39.75894 
1 1 1   45    9    5 o  535.309   23.458 117635.30 10195.92 128882.30 12462.24 94866.09 17731.69  559.177   27.448  470.940   46.999 88.23721 54.42665 
1 1 1   45    9    6 o  579.144   23.869 137833.59 11224.19 144558.20 13746.98 124385.50 19440.27  591.542   28.621  540.447   44.702 51.09473 53.07941 
1 1 1   45    9    7 f  454.000   15.855 84162.81  5844.56 89048.59  8282.70 79317.54  8248.31  465.779   21.901  438.703   23.238 27.07584 31.93209 
1 1 1   45    9    8 o  697.068   24.071 200114.09 13623.93 212237.09 19304.99 188085.70 19229.52  713.232   33.335  669.372   35.507 43.86060 48.70312 
1 1 1   45    9    9 o  245.890   14.851 24782.38  2951.22 24782.38  2951.22   0.0000   0.0000  245.890   14.851  ?   ?  0.000000 14.85133 
1 1 1   45    9   10 o  417.124   17.865 71321.13  6050.66 73109.72  7432.86 67807.63 10417.67  420.790   21.830  401.237   32.249 19.55347 38.94262 
1 1 1   45    9   11 o  144.307   10.233  8528.27  1191.29  6414.85  1514.34 11959.73  1929.62  124.264   15.334  170.465   14.067 -46.20127 20.80864 
1 1 1   45    9   12 o  224.473   10.962 20569.48  1997.94 21494.86  3268.99 20017.71  2524.28  227.781   17.817  220.596   14.168 7.185287 22.76329 
1 1 1   45    9   13 o  329.285   14.456 44589.12  3865.19 45398.89  6471.95 44140.16  4818.98  327.556   24.512  325.899   18.285 1.656952 30.58026 
1 1 1   45    9   14 o   80.760   9.6610  2704.70  620.937  2745.91  836.268  2654.05  927.001   80.674   13.225   78.900   15.018 1.774101 20.01132 
1 1 1   45    9   15 o  216.772   9.8888 19256.44  1740.55 19386.54  2496.23 19133.33  2428.19  215.959   14.317  214.644   14.009 1.314926 20.03064 
1 1 1   45    9   16 o  418.620   15.780 73184.35  5363.76 81186.48  7693.79 65617.44  7481.65  435.480   21.759  388.957   23.804 46.52301 32.25031 
1 1 1   45    9   17 o  207.277   10.695 17761.72  1793.79 18533.94  2556.16 17012.46  2517.88  209.904   15.099  200.844   15.561 9.060455 21.68220 
1 1 1   45    9   18 f   38.423   13.992  516.729  566.010  387.796  707.910  745.229  942.409   38.796   15.284   47.460   17.911 -8.663582 23.54545 
1 1 1   45    9   19 o  140.656   10.526  8259.83  1193.42  9287.86  1624.95  7055.91  1758.46  147.835   13.692  126.869   17.539 20.96616 22.25110 
1 1 1   45    9   20 o  162.377   10.864 11089.16  1424.15 10710.06  1937.47 11534.74  2100.51  156.867   15.410  162.313   16.153 -5.445633 22.32436 
1 1 1   45    9   21 f   31.139   13.367   30.711  606.695 -393.5707  726.699  1006.70  1102.17   29.554   13.516   51.002   19.340 -21.44855 23.59519 
1 1 1   45   11    0 o  349.425   27.439 50615.64  7722.53   0.0000   0.0000 50615.64  7722.53  ?   ?   349.425   27.439 0.000000 27.43934 
1 1 1   45   11    1 o  134.984   17.790  7570.43  1902.37   0.0000   0.0000  7570.43  1902.37  ?   ?   134.984   17.790 0.000000 17.79046 
1 1 1   45   11    2 o  478.445   36.496 95936.98 14071.15 95936.98 14071.15   0.0000   0.0000  478.445   36.496  ?   ?  0.000000 36.49616 
1 1 1   45   11    3 o  384.998   30.509 61686.87  9459.11 61686.87  9459.11   0.0000   0.0000  384.998   30.509  ?   ?  0.000000 30.50873 
1 1 1   45   11    4 o  384.326   20.405 60661.54  6344.86 66464.22  9164.10 55318.88  8793.36  400.254   28.382  364.515   29.975 35.73880 41.28024 
1 1 1   45   11    5 o  128.676   9.4699  6771.77  982.474  7313.58  2002.93  6600.10  1127.43  132.337   19.201  126.853   11.056 5.483154 22.15644 
1 1 1   45   11    6 o  364.258   15.212 54159.98  4499.25 66905.00  8150.74 48574.48  5395.82  402.247   25.080  343.850   19.406 58.39786 31.71126 
1 1 1   45   11    7 o   71.912   6.6499  2119.75  383.896  1461.85  481.263  3270.76  636.567   59.060   10.416   89.227   8.9053 -30.16739 13.70429 
1 1 1   45   11    8 f  422.824   15.655 73065.64  5374.71 73596.91  7625.62 72541.17  7576.60  422.353   22.315  419.299   22.335 3.054352 31.57240 
1 1 1   45   11    9 o  159.595   9.7000 10407.56  1251.02 10862.26  1504.54  9388.90  2251.95  162.856   11.451  150.134   18.891 12.72159 22.09081 
1 1 1   45   11   10 o  223.034   9.4517 20256.74  1711.67 19316.88  2425.22 21189.57  2416.14  216.992   13.837  227.418   13.141 -10.42628 19.08230 
1 1 1   45   11   11 o  494.555   19.710 100905.80  7914.93 99197.76  9730.30 104246.10 13607.46  487.588   24.657  493.859   34.144 -6.271576 42.11625 
1 1 1   45   11   12 o  358.713   14.208 52822.24  4138.40 53654.05  5100.77 51220.04  7079.12  360.527   17.424  348.327   25.200 12.19992 30.63719 
1 1 1   45   11   13 o   28.913   10.972  242.059  354.889  127.766  385.071  886.607  914.446   27.434   11.114   49.835   17.833 -22.40078 21.01313 
1 1 1   45   11   14 o  108.163   8.9960  4815.95  782.902  5362.39  1084.62  4221.53  1131.23  113.613   11.936  100.111   14.325 13.50191 18.64583 
1 1 1   45   11   15 f  213.796   10.974 18840.29  1898.55 19845.62  2976.71 18150.89  2465.01  217.195   17.015  208.616   14.645 8.578705 22.44982 
1 1 1   45   11   16 o   87.260   9.2048  3157.60  642.337  3901.88  819.753  1973.76  1033.86   96.802   10.603   67.208   18.405 29.59412 21.24042 
1 1 1   45   11   17 o  198.906   10.312 16360.11  1659.78 16509.10  2366.24 16215.79  2328.76  197.911   14.833  196.187   14.726 1.723587 20.90159 
1 1 1   45   11   18 o   57.421   12.721  1429.22  577.513  1430.23  693.907  1426.95  1041.72   57.158   14.826   58.064   19.092 -0.9055595 24.17245 
1 1 1   45   11   19 o  183.818   10.110 14079.63  1503.09 14145.88  2059.66 14004.13  2198.50  182.112   14.037  180.490   15.141 1.621719 20.64718 
1 1 1   45   11   20 o   20.535   9.4779 -277.2007  368.830 -77.9888  392.025 -1812.7740  1088.41   23.926   10.501   29.025   14.160 -5.099085 17.62859 
1 1 1   45   11   21 o   29.136   12.818 -86.7300  587.080 -538.3723  648.357  1969.51  1383.42   26.291   12.281   63.930   22.008 -37.63903 25.20263 
1 1 1   45   13    0 o   59.911   20.192  1372.20  1163.76   0.0000   0.0000  1372.20  1163.76  ?   ?    59.911   20.192 0.000000 20.19212 
1 1 1   45   13    1 o  307.282   25.319 39131.07  6260.93   0.0000   0.0000 39131.07  6260.93  ?   ?   307.282   25.319 0.000000 25.31904 
1 1 1   45   13    2 o  492.019   36.704 101751.20 14557.94   0.0000   0.0000 101751.20 14557.94  ?   ?   492.019   36.704 0.000000 36.70427 
1 1 1   45   13    3 o  129.869   12.937  6940.88  1346.02  6665.21  2089.80  7136.33  1759.61  125.814   21.211  131.087   16.927 -5.273499 27.13753 
1 1 1   45   13    4 o  183.042   13.722 13738.43  2024.61 16023.09  3063.40 11966.55  2697.79  196.859   19.418  169.755   19.953 27.10461 27.84228 
1 1 1   45   13    5 o  257.520   12.319 27024.37  2575.82 29679.72  4888.73 26003.92  3030.61  267.758   22.700  251.963   14.879 15.79491 27.14191 
1 1 1   45   13    6 o  232.525   13.079 22117.65  2459.26 14274.40  4710.46 25056.60  2883.44  182.335   33.033  247.346   14.420 -65.01079 36.04298 
1 1 1   45   13    7 o  154.491   9.7906  9754.46  1221.80 13191.00  2657.49  8833.36  1375.83  178.452   18.615  146.772   11.640 31.67967 21.95437 
1 1 1   45   13    8 o  302.021   14.333 37262.49  3514.96 33590.12  6652.96 38684.51  4139.93  282.561   29.430  306.955   16.673 -24.39377 33.82433 
1 1 1   45   13    9 o  234.110   12.322 22426.48  2334.08 23367.56  2844.44 20486.60  4083.86  238.587   14.755  221.523   23.042 17.06401 27.36130 
1 1 1   45   13   10 o   95.398   7.8814  3729.12  605.024  4100.71  766.028  3112.93  986.444   99.865   9.5639   86.025   14.647 13.84003 17.49316 
1 1 1   45   13   11 o  364.925   12.064 54472.48  3574.67 52078.38  5104.35 56776.80  5007.72  355.289   17.694  371.322   16.609 -16.03290 24.26805 
1 1 1   45   13   12 o  187.019   7.9638 14260.50  1209.32 11408.33  1672.73 17383.71  1750.40  166.308   12.478  205.900   10.505 -39.59204 16.31127 
1 1 1   45   13   13 o   80.605   9.2475  2690.70  594.285  2012.67  663.228  5452.73  1338.61   68.977   12.293  113.947   14.819 -44.97042 19.25378 
1 1 1   45   13   14 o  124.606   9.5654  6397.24  960.403  6219.92  1114.03  6910.47  1895.27  122.494   11.329  126.976   18.964 -4.481331 22.09015 
1 1 1   45   13   15 o  201.003   13.249 16808.71  2150.16 18878.79  2742.00 13503.31  3464.87  211.902   16.056  174.612   25.165 37.29007 29.85085 
1 1 1   45   13   16 o   23.878   9.7551   86.397  299.664  412.615  322.208 -2003.0690  815.456   32.298   10.618   22.716   11.298 9.582026 15.50447 
1 1 1   45   13   17 o  215.428   10.601 19194.95  1854.30 19570.45  2637.90 18828.16  2607.12  214.967   15.211  210.759   15.340 4.208130 21.60311 
1 1 1   45   13   18 o   92.369   9.2798  3558.28  686.573  3316.53  827.261  4093.35  1230.73   88.414   11.819   96.722   16.247 -8.308487 20.09140 
1 1 1   45   13   19 o  265.508   11.835 29664.44  2551.48 30891.56  3673.23 28520.36  3546.76  265.448   17.134  254.910   17.237 10.53792 24.30412 
1 1 1   45   13   20 o  112.613   10.384  5377.79  938.808  4868.82  1143.79  6428.62  1643.47  105.488   13.676  118.865   17.557 -13.37664 22.25446 
1 1 1   45   13   21 f   24.139   10.864 -175.7939  447.039 -51.6961  478.683 -1022.3920  1250.27   26.627   11.647   35.257   16.651 -8.629723 20.32023 
1 1 1   45   15    0 o  455.193   34.870 87158.72 12790.15   0.0000   0.0000 87158.72 12790.15  ?   ?   455.193   34.870 0.000000 34.87037 
1 1 1   45   15    1 o  203.734   20.615 17199.62  3363.37   0.0000   0.0000 17199.62  3363.37  ?   ?   203.734   20.615 0.000000 20.61542 
1 1 1   45   15    2 o  515.210   38.718 112418.80 16078.45   0.0000   0.0000 112418.80 16078.45  ?   ?   515.210   38.718 0.000000 38.71763 
1 1 1   45   15    3 o  554.432   29.397 127925.50 13186.58 118608.40 18903.04 136757.30 18404.25  525.441   44.732  567.371   40.210 -41.92993 60.14850 
1 1 1   45   15    4 f  135.191   13.654  7531.84  1478.24  8637.55  2262.09  6707.73  1952.91  143.779   19.911  126.438   19.661 17.34154 27.98234 
1 1 1   45   15    5 o  226.926   11.591 21039.11  2128.67 21251.45  4238.60 20967.49  2461.62  225.902   23.450  226.290   13.458 -0.3884735 27.03714 
1 1 1   45   15    6 o  262.091   11.669 27999.96  2483.32 37104.21  4870.31 24801.36  2886.78  299.873   20.119  245.977   14.518 53.89690 24.81020 
1 1 1   45   15    7 o  250.021   13.082 25584.34  2646.59 19839.61  5208.31 27584.07  3072.90  215.954   30.556  259.375   14.651 -43.42049 33.88653 
1 1 1   45   15    8 o  590.438   22.674 144093.59 10870.24 167686.00 19487.79 133437.59 13097.04  625.519   38.557  564.533   28.666 60.98541 48.04604 
1 1 1   45   15    9 o  512.976   27.407 110423.10 11374.35 110628.10 16553.16 110239.70 15655.85  503.669   40.827  504.697   38.494 -1.028046 56.11299 
1 1 1   45   15   10 o  330.443   15.130 44854.85  4059.49 45288.07  7823.72 44695.25  4748.76  325.353   29.952  328.639   17.863 -3.286011 34.87413 
1 1 1   45   15   11 o  300.516   14.284 37158.96  3485.43 39497.08  6902.25 36358.68  4038.10  302.821   28.403  296.034   16.869 6.786926 33.03525 
1 1 1   45   15   12 o  164.741   11.605 11192.72  1542.38 16225.89  4016.66 10322.21  1670.44  193.069   26.307  157.816   13.156 35.25246 29.41308 
1 1 1   45   15   13 o  202.873   9.8096 16864.59  1615.89 16261.74  2290.01 17462.42  2280.45  197.687   14.365  205.087   13.774 -7.399979 19.90178 
1 1 1   45   15   14 o   65.776   8.6345  1800.89  450.015  2383.02  516.388 -37.0163  917.545   75.835   8.5345   38.097   16.398 37.73800 18.48563 
1 1 1   45   15   15 f  239.912   12.432 23905.72  2413.55 24777.44  2990.67 22277.63  4087.17  242.899   15.241  225.840   22.592 17.05833 27.25199 
1 1 1   45   15   16 o   95.971   9.5338  3828.22  733.092  3800.31  799.007  3976.76  1843.19   95.386   10.490   93.077   24.173 2.308769 26.35084 
1 1 1   45   15   17 o  182.129   10.544 13793.31  1552.59 14776.04  2233.27 12874.05  2159.95  186.388   14.881  173.580   15.488 12.80772 21.47805 
1 1 1   45   15   18 o   45.817   11.766  912.753  440.012  1157.73  479.977 -377.2598  1101.43   51.599   11.723   38.022   17.088 13.57740 20.72234 
1 1 1   45   15   19 o   21.739   9.3251  -6.7706  294.905   50.104  306.628 -708.1953  1076.82   23.205   9.7096   34.807   16.110 -11.60171 18.81001 
1 1 1   45   15   20 o   70.129   10.377  2120.27  573.036  1968.35  629.600  2853.64  1383.27   66.875   12.038   75.739   21.495 -8.863998 24.63600 
1 1 1   45   17    0 o  643.161   48.866 180430.09 25328.45   0.0000   0.0000 180430.09 25328.45  ?   ?   643.161   48.866 0.000000 48.86644 
1 1 1   45   17    1 o  440.762   34.368 82015.88 12202.55   0.0000   0.0000 82015.88 12202.55  ?   ?   440.762   34.368 0.000000 34.36802 
1 1 1   45   17    2 f  578.791   26.481 138799.00 12444.83   0.0000   0.0000 138799.00 12444.83  ?   ?   578.791   26.481 0.000000 26.48067 
1 1 1   45   17    3 o  492.409   19.133 99515.03  7649.96 110024.90 13902.54 94950.89  9161.67  510.984   33.697  479.659   23.524 31.32565 41.09574 
1 1 1   45   17    4 o   93.429   9.1661  3586.90  686.399  5281.33  2009.44  3363.08  730.328  111.171   23.019   90.311   10.134 20.86009 25.15102 
1 1 1   45   17    5 o  204.602   10.627 17102.65  1759.43 23857.09  3751.67 15198.29  1992.07  240.206   19.401  192.555   12.814 47.65089 23.25102 
1 1 1   45   17    6 o  274.504   13.385 30780.54  2983.27 30801.60  5871.12 30773.20  3463.76  270.805   27.063  273.729   15.649 -2.923462 31.26218 
1 1 1   45   17    7 o  491.238   20.134 99486.58  8030.73 101610.00 14630.64 98570.96  9607.41  486.298   37.338  487.287   24.282 -0.9887695 44.53913 
1 1 1   45   17    8 o  592.493   22.875 145834.50 11004.65 169481.41 19848.92 135340.09 13222.99  623.975   39.379  566.340   28.851 57.63574 48.81665 
1 1 1   45   17    9 o  123.463   15.927  6373.50  1559.39  7487.26  2791.29  5868.18  1880.14  130.977   27.139  117.292   20.487 13.68526 34.00340 
1 1 1   45   17   10 o  190.386   11.801 14910.80  1815.35 19552.87  4517.32 14016.74  1982.48  212.919   26.718  184.229   13.343 28.68956 29.86440 
1 1 1   45   17   11 o  195.376   12.106 15743.10  1911.03 19379.25  4749.74 15040.79  2087.44  209.956   28.606  190.567   13.579 19.38885 31.66550 
1 1 1   45   17   12 o  111.608   12.397  5192.35  1104.49  5456.73  3671.59  5166.04  1158.13  109.450   35.836  111.161   13.082 -1.711121 38.14888 
1 1 1   45   17   13 o   50.899   16.908  1038.86  816.219 -2312.9170  3519.90  1229.33  839.090   62.380   28.962   54.311   17.071 8.068672 33.61880 
1 1 1   45   17   14 f  187.918   12.783 14704.35  1938.92 17160.83  5303.67 14325.40  2083.12  188.479   35.968  185.024   13.969 3.454498 38.58532 
1 1 1   45   17   15 f  132.251   13.885  7381.35  1468.79  9608.60  4742.00  7145.00  1544.76  135.173   40.225  129.710   14.940 5.462997 42.90949 
1 1 1   45   17   16 o  131.290   14.031  7319.69  1472.54  8931.33  5296.47  7184.68  1532.98  125.488   43.070  129.737   14.818 -4.249054 45.54816 
1 1 1   45   17   17 o   83.356   24.676  3291.95  1788.02  7291.91  5809.31  2873.37  1879.25  110.876   43.750   78.435   25.636 32.44147 50.70741 
1 1 1   45   17   18 o  125.297   10.680  6618.47  1076.22  7331.68  1195.84  3578.92  2468.70  131.635   11.298   84.088   29.374 47.54638 31.47148 
1 1 1   45   17   19 o   52.589   11.083  1211.98  458.306  1096.60  499.860  1820.69  1148.10   49.674   12.425   62.266   20.013 -12.59186 23.55612 
1 1 1   45   19    0 o  324.753   18.916 43481.91  4966.32   0.0000   0.0000 43481.91  4966.32  ?   ?   324.753   18.916 0.000000 18.91594 
1 1 1   45   19    1 o  411.914   21.262 70122.08  7086.98   0.0000   0.0000 70122.08  7086.98  ?   ?   411.914   21.262 0.000000 21.26181 
1 1 1   45   19    2 o  126.467   10.255  6559.16  1043.96   0.0000   0.0000  6559.16  1043.96  ?   ?   126.467   10.255 0.000000 10.25468 
1 1 1   45   19    3 o  221.386   11.528 20044.21  2065.06 19105.28  4906.01 20246.39  2276.56  211.949   29.290  222.336   12.663 -10.38713 31.91034 
1 1 1   45   19    4 o  255.832   11.072 26691.22  2299.89 31310.73  5272.21 25605.55  2555.90  273.864   23.950  250.094   12.627 23.76987 27.07506 
1 1 1   45   19    5 o  467.308   16.200 89574.20  6147.07 108524.30 12856.18 83957.82  6998.97  506.402   31.422  451.523   19.090 54.87933 36.76625 
1 1 1   45   19    6 o  532.811   20.232 117322.50  8752.92 131917.30 15993.70 111082.30 10458.07  553.749   35.762  516.080   24.957 37.66980 43.60963 
1 1 1   45   19    7 o   64.572   12.100  1759.94  611.070  1314.94  1813.72  1816.92  649.014   65.392   24.807   65.543   12.653 -0.1513901 27.84743 
1 1 1   45   19    8 o  197.693   16.203 16225.73  2578.14 19601.51  4196.05 14178.47  3267.69  214.556   24.527  182.812   22.488 31.74402 33.27561 
1 1 1   45   19    9 o  146.379   11.339  8832.92  1337.13  9631.71  3954.82  8729.82  1420.81  145.294   34.107  145.354   12.150 -0.6005859E-01 36.20650 
1 1 1   45   19   10 o  184.091   11.790 13980.45  1753.08 19903.34  4683.23 13015.26  1890.54  212.953   27.744  177.227   13.233 35.72565 30.73789 
1 1 1   45   19   11 o   44.603   16.112  700.460  748.372  2065.35  2874.60  601.227  775.099   79.571   30.958   43.444   16.274 36.12754 34.97492 
1 1 1   45   19   12 o  116.715   12.861  5699.18  1198.59  3779.62  4278.16  5862.69  1248.60   98.116   37.880  118.298   13.225 -20.18226 40.12239 
1 1 1   45   19   13 o  104.825   14.456  4661.69  1197.68  4254.26  4442.28  4693.62  1243.73  100.424   38.648  105.016   15.013 -4.591400 41.46151 
1 1 1   45   19   14 o   56.305   18.186  1329.54  947.166  3978.10  4498.87  1206.70  968.883   97.506   38.492   54.542   18.424 42.96416 42.67406 
1 1 1   45   19   15 o   31.145   14.559 -823.1255  914.109 -1984.9189  3808.59 -752.1083  941.633   64.372   29.966   32.252   14.976 32.11935 33.50036 
1 1 1   45   19   16 o   34.187   15.448 -404.1948  914.611  5062.90  4226.74 -672.7570  936.806   99.090   37.802   32.579   15.061 66.51079 40.69208 
1 1 1   45   19   17 o   36.995   16.177 -81.0517  922.703  3886.50  5727.35 -186.7723  934.916   91.783   40.215   36.256   16.052 55.52751 43.29987 
1 1 1   45   19   18 o   45.608   18.824  489.980  1130.21   0.0000   0.0000  489.980  1130.21  ?   ?    45.608   18.824 0.000000 18.82432 
1 1 1   45   19   19 o   53.484   23.806  323.909  2083.25   0.0000   0.0000  323.909  2083.25  ?   ?    53.484   23.806 0.000000 23.80580 
1 1 1   45   21    0 o  155.791   14.259 10017.83  1783.70   0.0000   0.0000 10017.83  1783.70  ?   ?   155.791   14.259 0.000000 14.25893 
1 1 1   45   21    1 o  227.837   15.985 21400.91  2938.35   0.0000   0.0000 21400.91  2938.35  ?   ?   227.837   15.985 0.000000 15.98452 
1 1 1   45   21    2 o  439.440   21.872 80008.57  7804.06   0.0000   0.0000 80008.57  7804.06  ?   ?   439.440   21.872 0.000000 21.87171 
1 1 1   45   21    3 o  432.800   18.523 77222.09  6509.49   0.0000   0.0000 77222.09  6509.49  ?   ?   432.800   18.523 0.000000 18.52341 
1 1 1   45   21    4 o  250.577   11.462 25654.07  2332.11 27810.40  5563.57 25194.43  2568.68  255.887   27.194  247.804   12.810 8.083359 30.06014 
1 1 1   45   21    5 o  222.418   11.463 20279.67  2063.07 21162.59  5022.64 20100.47  2262.76  221.887   28.540  221.198   12.651 0.6884155 31.21795 
1 1 1   45   21    6 o  152.588   10.697  9565.96  1316.95 12445.03  4001.89  9216.31  1394.63  168.090   30.442  149.607   11.571 18.48289 32.56709 
1 1 1   45   21    7 o  185.247   11.932 14132.42  1785.23 18420.53  4788.72 13440.28  1923.92  204.866   29.650  180.339   13.231 24.52637 32.46852 
1 1 1   45   21    8 o  270.651   19.331 30811.94  4220.29 35070.23  7031.40 28414.08  5276.38  281.253   31.322  256.480   25.681 24.77261 40.50418 
1 1 1   45   21    9 o   86.132   13.326  3130.72  901.889  5041.96  3773.65  3014.94  928.806  106.471   36.358   84.317   14.062 22.15479 38.98285 
1 1 1   45   21   10 o   68.890   15.741  2053.14  861.214  6312.33  3856.34  1829.57  883.529  115.681   36.625   64.954   16.669 50.72678 40.24032 
1 1 1   45   21   11 o   96.805   13.653  3960.88  1043.38  3359.42  3684.61  4013.31  1087.91   92.449   35.289   97.308   14.186 -4.859032 38.03346 
1 1 1   45   21   12 o  280.788   15.314 33121.30  3478.26 32780.38  8261.55 33194.75  3834.68  254.819   41.346  280.055   16.943 -25.23540 44.68325 
1 1 1   45   21   13 o   76.529   17.146  2576.28  1039.02  1492.70  5005.47  2625.08  1062.15   87.307   37.936   77.205   17.364 10.10256 41.72136 
1 1 1   45   21   14 o   82.092   17.430  2982.25  1125.92  4062.23  4608.30  2913.70  1161.10   96.213   38.634   80.902   18.125 15.31040 42.67432 
1 1 1   45   21   15 o   46.324   18.112  638.187  987.716 -3150.6890  5688.23  755.980  1002.95   73.225   34.854   48.017   18.391 25.20775 39.40887 
1 1 1   45   21   16 o   76.122   20.697  2706.40  1312.94  5150.66  5592.08  2563.80  1350.70   96.980   41.069   73.998   21.318 22.98257 46.27228 
1 1 1   45   21   17 o   33.609   15.449 -552.2834  966.154   0.0000   0.0000 -552.2834  966.154  ?   ?    33.609   15.449 0.000000 15.44946 
1 1 1   45   21   18 o   91.887   21.670  4217.62  1590.55   0.0000   0.0000  4217.62  1590.55  ?   ?    91.887   21.670 0.000000 21.67040 
1 1 1   45   23    0 o  180.327   15.588 13482.12  2259.94   0.0000   0.0000 13482.12  2259.94  ?   ?   180.327   15.588 0.000000 15.58793 
1 1 1   45   23    1 o  198.760   16.197 16388.92  2591.24   0.0000   0.0000 16388.92  2591.24  ?   ?   198.760   16.197 0.000000 16.19695 
1 1 1   45   23    2 o  190.923   16.438 15150.60  2523.40   0.0000   0.0000 15150.60  2523.40  ?   ?   190.923   16.438 0.000000 16.43778 
1 1 1   45   23    3 o  184.876   13.064 14100.28  1948.52   0.0000   0.0000 14100.28  1948.52  ?   ?   184.876   13.064 0.000000 13.06445 
1 1 1   45   23    4 o   79.542   9.4462  2620.84  598.159  3157.71  3469.57  2604.39  607.252   92.615   34.483   79.257   9.6342 13.35817 35.80365 
1 1 1   45   23    5 o  321.962   14.040 42744.70  3670.25 51544.56  8666.22 40821.35  4051.54  341.895   31.574  313.546   15.967 28.34888 35.38184 
1 1 1   45   23    6 f   96.746   11.609  3898.05  893.705  5376.75  3811.57  3812.03  919.333  109.606   36.543   95.549   12.122 14.05628 38.50121 
1 1 1   45   23    7 o   82.202   23.054  2971.47  1601.10  4413.64  3743.23  2648.54  1771.31  101.533   36.108   78.533   24.818 23.00005 43.81418 
1 1 1   45   23    8 o  253.286   14.407 26702.72  2950.79 24156.12  7226.07 27212.35  3232.60  222.321   41.558  255.126   15.681 -32.80432 44.41772 
1 1 1   45   23    9 f  124.763   12.938  6508.74  1291.61  6035.66  4922.82  6543.72  1338.50  113.745   41.289  124.972   13.400 -11.22695 43.40858 
1 1 1   45   23   10 o  273.522   14.519 31291.07  3212.89 38002.48  7940.20 29977.07  3513.36  282.552   35.386  266.685   16.303 15.86670 38.96067 
1 1 1   45   23   11 o   77.109   16.984  2605.42  1034.66  3921.52  4175.27  2519.31  1067.97   96.478   37.373   75.639   17.702 20.83919 41.35357 
1 1 1   45   23   12 o   64.856   18.643  1853.41  1034.02  8159.79  5286.38  1602.53  1054.39  122.341   42.970   60.971   19.131 61.36934 47.03629 
1 1 1   45   23   13 o  158.336   14.111 10635.51  1795.19 14160.08  6805.82 10371.95  1861.10  149.743   48.778  155.979   14.875 -6.235443 50.99618 
1 1 1   45   23   14 f  161.813   14.472 11199.44  1881.42  8798.52  6644.30 11408.73  1961.71  116.992   46.590  163.032   14.987 -46.03961 48.94080 
1 1 1   45   23   15 o   40.990   18.008 -103.4214  1155.25 11940.83  6997.98 -440.8539  1171.32  124.561   48.347   38.629   17.466 85.93121 51.40526 
1 1 1   45   23   16 o  107.234   18.803  5313.58  1577.52   0.0000   0.0000  5313.58  1577.52  ?   ?   107.234   18.803 0.000000 18.80328 
1 1 1   45   23   17 o  109.584   20.492  5823.67  1756.31   0.0000   0.0000  5823.67  1756.31  ?   ?   109.584   20.492 0.000000 20.49183 
1 1 1   45   25    0 o  168.399   16.252 11881.87  2194.57   0.0000   0.0000 11881.87  2194.57  ?   ?   168.399   16.252 0.000000 16.25174 
1 1 1   45   25    1 o  243.012   18.296 24817.83  3583.68   0.0000   0.0000 24817.83  3583.68  ?   ?   243.012   18.296 0.000000 18.29628 
1 1 1   45   25    2 o  125.231   17.751  6668.74  1754.46   0.0000   0.0000  6668.74  1754.46  ?   ?   125.231   17.751 0.000000 17.75103 
1 1 1   45   25    3 o  126.088   10.307  6562.37  1045.96   0.0000   0.0000  6562.37  1045.96  ?   ?   126.088   10.307 0.000000 10.30664 
1 1 1   45   25    4 o  256.624   13.410 27293.64  2784.54   0.0000   0.0000 27293.64  2784.54  ?   ?   256.624   13.410 0.000000 13.41002 
1 1 1   45   25    5 o  236.951   17.078 23616.31  3263.81 27870.03  6556.42 22214.92  3763.24  246.014   33.709  228.018   20.547 17.99614 39.47732 
1 1 1   45   25    6 o  103.423   11.173  4453.40  923.368 -4552.9971  4434.93  4861.51  944.056   64.261   30.639  108.172   10.897 -43.91095 32.51932 
1 1 1   45   25    7 o   99.722   11.637  4157.13  924.520  2337.50  4615.84  4233.18  943.642   91.200   37.874  100.608   11.774 -9.408203 39.66225 
1 1 1   45   25    8 o  191.852   13.519 15377.06  2092.47 10239.88  6250.92 16025.35  2220.58  137.406   46.795  195.645   14.072 -58.23866 48.86525 
1 1 1   45   25    9 o  124.799   13.752  6568.47  1370.43  2264.19  5861.50  6817.36  1409.50   95.487   41.271  127.124   13.881 -31.63701 43.54241 
1 1 1   45   25   10 o   79.997   17.052  2812.06  1073.79  1924.49  4817.04  2858.47  1101.51   87.874   37.691   80.581   17.348 7.292534 41.49154 
1 1 1   45   25   11 f  114.550   14.772  5615.42  1341.90  1862.36  6389.47  5788.60  1372.51   93.375   41.617  116.286   14.877 -22.91048 44.19597 
1 1 1   45   25   12 f   20.314   10.204 -2172.9570  743.854 -3686.3530  6000.52 -2149.3369  749.636   74.308   35.488   20.534   10.305 53.77456 36.95353 
1 1 1   45   25   13 f   66.962   19.425  2038.13  1118.01  284.378  7070.18  2083.10  1132.25   86.734   40.528   67.641   19.527 19.09354 44.98690 
1 1 1   45   25   14 o   92.996   18.678  3960.77  1361.44   0.0000   0.0000  3960.77  1361.44  ?   ?    92.996   18.678 0.000000 18.67848 
1 1 1   45   25   15 o   67.288   21.470  2167.42  1323.22   0.0000   0.0000  2167.42  1323.22  ?   ?    67.288   21.470 0.000000 21.47020 
1 1 1   45   25   16 o   64.543   22.021  2052.26  1384.25   0.0000   0.0000  2052.26  1384.25  ?   ?    64.543   22.021 0.000000 22.02073 
1 1 1   45   27    0 o  101.605   18.582  4487.51  1476.48   0.0000   0.0000  4487.51  1476.48  ?   ?   101.605   18.582 0.000000 18.58156 
1 1 1   45   27    1 o  150.163   17.976  9632.83  2148.16   0.0000   0.0000  9632.83  2148.16  ?   ?   150.163   17.976 0.000000 17.97560 
1 1 1   45   27    2 o  163.426   18.942 11452.17  2466.95   0.0000   0.0000 11452.17  2466.95  ?   ?   163.426   18.942 0.000000 18.94212 
1 1 1   45   27    3 o  171.763   10.937 12205.60  1517.34   0.0000   0.0000 12205.60  1517.34  ?   ?   171.763   10.937 0.000000 10.93657 
1 1 1   45   27    4 o   55.729   10.219  1316.83  445.383   0.0000   0.0000  1316.83  445.383  ?   ?    55.729   10.219 0.000000 10.21937 
1 1 1   45   27    5 o   44.817   11.948  860.408  442.737  3569.03  4761.35  836.784  444.664   97.295   39.199   44.240   12.052 53.05477 41.00980 
1 1 1   45   27    6 o   52.126   13.983  1173.32  604.052  4482.96  4875.54  1121.72  608.742  102.059   40.140   51.048   14.180 51.01088 42.57135 
1 1 1   45   27    7 o  110.675   12.120  5141.79  1071.37  5199.17  4898.78  5138.90  1097.95  105.369   40.576  110.544   12.449 -5.174599 42.44233 
1 1 1   45   27    8 o  104.721   13.058  4642.66  1086.18  7202.04  5025.65  4517.25  1112.47  116.438   41.792  103.092   13.624 13.34607 43.95663 
1 1 1   45   27    9 o  118.653   14.136  5997.25  1335.10  7803.92  6396.15  5914.94  1365.18  117.432   46.042  117.645   14.606 -0.2121582 48.30346 
1 1 1   45   27   10 o  103.785   15.944  4685.78  1300.66  7671.72  7359.29  4589.51  1321.46  114.252   47.666  102.489   16.435 11.76289 50.42021 
1 1 1   45   27   11 o  255.355   15.517 28010.66  3202.09 34130.77 10359.44 27364.17  3366.97  213.281   58.199  251.404   16.587 -38.12312 60.51650 
1 1 1   45   27   12 o  249.939   16.963 27375.74  3422.07   0.0000   0.0000 27375.74  3422.07  ?   ?   249.939   16.963 0.000000 16.96272 
1 1 1   45   27   13 o  105.286   19.241  5122.72  1584.32   0.0000   0.0000  5122.72  1584.32  ?   ?   105.286   19.241 0.000000 19.24147 
1 1 1   45   27   14 o   87.287   20.201  3672.03  1403.38   0.0000   0.0000  3672.03  1403.38  ?   ?    87.287   20.201 0.000000 20.20101 
1 1 1   45   27   15 o   21.548   10.913 -3150.8630  955.955   0.0000   0.0000 -3150.8630  955.955  ?   ?    21.548   10.913 0.000000 10.91339 
1 1 1   45   29    0 o   45.549   19.196  210.164  1212.32   0.0000   0.0000  210.164  1212.32  ?   ?    45.549   19.196 0.000000 19.19636 
1 1 1   45   29    1 o  362.313   25.010 58770.34  7312.42   0.0000   0.0000 58770.34  7312.42  ?   ?   362.313   25.010 0.000000 25.00952 
1 1 1   45   29    2 o  180.069   22.327 14370.73  3194.42   0.0000   0.0000 14370.73  3194.42  ?   ?   180.069   22.327 0.000000 22.32706 
1 1 1   45   29    3 o   62.598   23.689  1396.46  1651.45   0.0000   0.0000  1396.46  1651.45  ?   ?    62.598   23.689 0.000000 23.68909 
1 1 1   45   29    4 o  245.852   14.149 25437.55  2812.63   0.0000   0.0000 25437.55  2812.63  ?   ?   245.852   14.149 0.000000 14.14936 
1 1 1   45   29    5 o  180.034   12.959 13608.24  1881.67   0.0000   0.0000 13608.24  1881.67  ?   ?   180.034   12.959 0.000000 12.95885 
1 1 1   45   29    6 o  123.611   11.109  6391.80  1103.09 10638.94  5896.72  6237.78  1122.91  133.798   45.451  121.982   11.472 11.81599 46.87596 
1 1 1   45   29    7 o  125.413   12.542  6642.28  1260.00  6721.75  6133.86  6638.78  1287.46  110.532   44.506  125.266   12.839 -14.73347 46.32074 
1 1 1   45   29    8 o  130.824   13.751  7297.64  1438.82 10375.57  7732.25  7187.24  1464.40  123.251   49.849  129.646   14.140 -6.395027 51.81554 
1 1 1   45   29    9 o  113.435   13.932  5531.33  1256.23 15614.34  7876.10  5268.12  1272.52  142.845   52.168  110.395   14.551 32.45062 54.15931 
1 1 1   45   29   10 o   72.800   17.340  2404.46  1010.30  3520.16  6636.92  2377.99  1022.22   92.400   41.696   72.312   17.581 20.08852 45.25117 
1 1 1   45   29   11 o  164.215   15.328 11803.27  2020.13   0.0000   0.0000 11803.27  2020.13  ?   ?   164.215   15.328 0.000000 15.32770 
1 1 1   45   29   12 o  101.490   18.974  4812.44  1506.06   0.0000   0.0000  4812.44  1506.06  ?   ?   101.490   18.974 0.000000 18.97365 
1 1 1   45   29   13 o   48.888   20.337  653.804  1334.07   0.0000   0.0000  653.804  1334.07  ?   ?    48.888   20.337 0.000000 20.33688 
1 1 1   45   29   14 o   70.349   24.696  2705.84  1746.00   0.0000   0.0000  2705.84  1746.00  ?   ?    70.349   24.696 0.000000 24.69559 
1 1 1   45   31    0 o  114.140   25.673  6184.61  2321.70   0.0000   0.0000  6184.61  2321.70  ?   ?   114.140   25.673 0.000000 25.67347 
1 1 1   45   31    1 o   57.438   24.152  597.827  1912.15   0.0000   0.0000  597.827  1912.15  ?   ?    57.438   24.152 0.000000 24.15241 
1 1 1   45   31    2 o   51.098   22.480 -111.7353  1805.72   0.0000   0.0000 -111.7353  1805.72  ?   ?    51.098   22.480 0.000000 22.47957 
1 1 1   45   31    3 o  100.203   27.938  4914.63  2358.46   0.0000   0.0000  4914.63  2358.46  ?   ?   100.203   27.938 0.000000 27.93780 
1 1 1   45   31    4 o   81.120   9.9558  2767.15  641.992   0.0000   0.0000  2767.15  641.992  ?   ?    81.120   9.9558 0.000000 9.955791 
1 1 1   45   31    5 o   47.410   11.920  977.770  458.361   0.0000   0.0000  977.770  458.361  ?   ?    47.410   11.920 0.000000 11.91961 
1 1 1   45   31    6 o  245.615   14.378 25787.24  2854.86 37909.61 10032.98 24719.25  2977.97  233.082   54.062  239.589   15.389 -6.507706 56.20926 
1 1 1   45   31    7 o  147.503   13.602  9323.39  1610.75  6960.79  8133.00  9419.85  1643.30  104.669   46.779  148.145   13.821 -43.47601 48.77820 
1 1 1   45   31    8 o   94.125   15.147  3907.27  1118.35   0.0000   0.0000  3907.27  1118.35  ?   ?    94.125   15.147 0.000000 15.14694 
1 1 1   45   31    9 o  159.129   14.800 11068.50  1890.35   0.0000   0.0000 11068.50  1890.35  ?   ?   159.129   14.800 0.000000 14.80005 
1 1 1   45   31   10 o  126.042   16.045  7127.65  1604.89   0.0000   0.0000  7127.65  1604.89  ?   ?   126.042   16.045 0.000000 16.04550 
1 1 1   45   31   11 o  129.074   17.042  7661.33  1742.35   0.0000   0.0000  7661.33  1742.35  ?   ?   129.074   17.042 0.000000 17.04156 
1 1 1   45   31   12 o   38.218   17.331 -293.2398  1162.97   0.0000   0.0000 -293.2398  1162.97  ?   ?    38.218   17.331 0.000000 17.33102 
1 1 1   45   33    0 o   67.772   26.030  1906.70  2012.56   0.0000   0.0000  1906.70  2012.56  ?   ?    67.772   26.030 0.000000 26.03015 
1 1 1   45   33    1 o  106.770   42.336  7423.71  5464.60   0.0000   0.0000  7423.71  5464.60  ?   ?   106.770   42.336 0.000000 42.33581 
1 1 1   45   33    2 o   91.398   38.230  4354.14  4751.40   0.0000   0.0000  4354.14  4751.40  ?   ?    91.398   38.230 0.000000 38.23047 
1 1 1   45   33    3 o   88.457   37.367  3874.95  4611.28   0.0000   0.0000  3874.95  4611.28  ?   ?    88.457   37.367 0.000000 37.36747 
1 1 1   45   33    4 o  110.535   10.542  5163.50  934.680   0.0000   0.0000  5163.50  934.680  ?   ?   110.535   10.542 0.000000 10.54190 
1 1 1   45   33    5 o  113.081   10.731  5418.85  973.459   0.0000   0.0000  5418.85  973.459  ?   ?   113.081   10.731 0.000000 10.73056 
1 1 1   45   33    6 o  ?   ?  -761.6539  200.059   0.0000   0.0000 -761.6539  200.059  ?   ?   ?   ?  0.000000      ? 
1 1 1   45   33    7 o   31.127   12.884  158.112  531.576   0.0000   0.0000  158.112  531.576  ?   ?    31.127   12.884 0.000000 12.88360 
1 1 1   45   33    8 o  119.957   14.020  6363.52  1339.81   0.0000   0.0000  6363.52  1339.81  ?   ?   119.957   14.020 0.000000 14.02000 
1 1 1   45   33    9 o   95.379   16.925  4244.12  1262.78   0.0000   0.0000  4244.12  1262.78  ?   ?    95.379   16.925 0.000000 16.92534 
1 1 1   45   33   10 o   58.820   19.463  1697.55  1081.99   0.0000   0.0000  1697.55  1081.99  ?   ?    58.820   19.463 0.000000 19.46318 
1 1 1   45   35    0 o   70.952   28.466  2403.61  2499.44   0.0000   0.0000  2403.61  2499.44  ?   ?    70.952   28.466 0.000000 28.46583 
1 1 1   45   35    1 o   54.542   24.614  -5.0248  2313.18   0.0000   0.0000  -5.0248  2313.18  ?   ?    54.542   24.614 0.000000 24.61408 
1 1 1   45   35    2 f   84.295   32.165  4202.04  3060.51   0.0000   0.0000  4202.04  3060.51  ?   ?    84.295   32.165 0.000000 32.16500 
1 1 1   45   35    3 o   50.859   24.166 -1638.6851  2711.18   0.0000   0.0000 -1638.6851  2711.18  ?   ?    50.859   24.166 0.000000 24.16628 
1 1 1   45   35    4 f   33.929   10.767  486.613  333.108   0.0000   0.0000  486.613  333.108  ?   ?    33.929   10.767 0.000000 10.76672 
1 1 1   45   35    5 o  102.626   11.106  4552.92  910.715   0.0000   0.0000  4552.92  910.715  ?   ?   102.626   11.106 0.000000 11.10630 
1 1 1   45   35    6 o  137.215   12.508  8265.56  1378.27   0.0000   0.0000  8265.56  1378.27  ?   ?   137.215   12.508 0.000000 12.50816 
1 1 1   45   35    7 f   45.951   14.173  961.970  581.480   0.0000   0.0000  961.970  581.480  ?   ?    45.951   14.173 0.000000 14.17301 
1 1 1   45   35    8 f   36.912   14.750  422.282  668.139   0.0000   0.0000  422.282  668.139  ?   ?    36.912   14.750 0.000000 14.74987 
1 1 1   45   37    0 o   68.962   30.512  2777.98  3372.89   0.0000   0.0000  2777.98  3372.89  ?   ?    68.962   30.512 0.000000 30.51237 
1 1 1   45   37    1 o  100.789   36.458  8491.05  3833.53   0.0000   0.0000  8491.05  3833.53  ?   ?   100.789   36.458 0.000000 36.45834 
1 1 1   45   37    2 o   77.676   33.557  4759.20  3871.56   0.0000   0.0000  4759.20  3871.56  ?   ?    77.676   33.557 0.000000 33.55682 
1 1 1   45   37    3 o   51.875   24.914 -1156.4330  3049.92   0.0000   0.0000 -1156.4330  3049.92  ?   ?    51.875   24.914 0.000000 24.91399 
1 1 1   45   37    4 o   54.465   11.129  1334.26  475.559   0.0000   0.0000  1334.26  475.559  ?   ?    54.465   11.129 0.000000 11.12934 
1 1 1   46    0    0 o   21.977   13.897   72.557  531.290   0.0000   0.0000   72.557  531.290   21.977   13.897   21.977   13.897 0.000000 0.000000 
1 1 1   46    0    1 o  654.641   46.958 179533.91 24665.48   0.0000   0.0000 179533.91 24665.48  654.641   46.958  654.641   46.958 0.000000 0.000000 
1 1 1   46    0    2 o  174.352   17.139 12724.78  2372.47   0.0000   0.0000 12724.78  2372.47  174.352   17.139  174.352   17.139 0.000000 0.000000 
1 1 1   46    0    3 o  203.688   13.463 17091.50  2204.27 15228.19  3324.72 18552.95  2944.44  189.382   22.452  211.355   17.430 0.000000 0.000000 
1 1 1   46    0    4 o  406.418   20.573 67856.66  6749.47 74388.54  9760.00 61869.79  9343.97  423.450   28.689  385.116   30.313 0.000000 0.000000 
1 1 1   46    0    5 o  656.997   35.180 179053.00 18644.38 146909.59 26611.04 210044.20 26129.81  583.502   57.445  707.028   45.961 0.000000 0.000000 
1 1 1   46    0    6 o  375.173   27.698 58570.89  8331.90   0.0000   0.0000 58570.89  8331.90  375.173   27.698  375.173   27.698 0.000000 0.000000 
1 1 1   46    0    7 o  385.040   20.037 60980.98  6225.50 62104.34  9051.59 59972.57  8576.01  385.789   29.284  379.381   28.198 0.000000 0.000000 
1 1 1   46    0    8 o  342.317   17.178 48127.96  4747.06 57069.74  6968.51 40385.56  6484.34  371.357   23.321  310.712   26.127 0.000000 0.000000 
1 1 1   46    0    9 o   66.830   12.576  1998.16  611.802  2758.82  1144.73  1694.01  723.856   74.222   21.856   57.857   17.641 0.000000 0.000000 
1 1 1   46    0   10 o  152.140   12.272  9604.00  1493.33  7930.27  2354.34 10730.65  1931.62  133.157   24.125  160.144   15.168 0.000000 0.000000 
1 1 1   46    0   11 o   43.321   19.170  1103.21  710.251  1655.17  1171.94  782.799  892.914   52.516   24.581   37.143   20.446 0.000000 0.000000 
1 1 1   46    0   12 o  468.235   24.031 90992.22  9081.45 93714.86 13153.22 88512.03 12553.95  469.652   34.936  456.594   34.307 0.000000 0.000000 
1 1 1   46    0   13 o  250.221   15.603 25920.52  3141.84 23988.49  4755.62 27416.92  4185.28  236.635   25.500  255.700   20.460 0.000000 0.000000 
1 1 1   46    0   14 o  173.673   13.440 12566.22  1869.20 12946.25  3032.04 12333.25  2373.98  172.354   22.773  170.457   17.581 0.000000 0.000000 
1 1 1   46    0   15 o   21.682   14.588 -299.6978  733.560 -311.3833  1317.70 -294.4500  883.047   30.335   20.138   24.261   16.226 0.000000 0.000000 
1 1 1   46    0   16 o   13.738   10.040 -1671.2040  688.628  257.583  1289.51 -2440.7100  814.493   34.289   21.669   13.742   10.125 0.000000 0.000000 
1 1 1   46    0   17 o  271.639   17.261 31146.51  3771.90 30960.50  5840.83 31279.59  4940.13  262.697   28.204  268.255   23.073 0.000000 0.000000 
1 1 1   46    0   18 o  139.477   15.222  8376.88  1671.79  7841.75  2892.55  8645.29  2048.60  121.630   33.856  139.598   19.085 0.000000 0.000000 
1 1 1   46    0   19 o   44.950   23.549  1303.17  1131.98  1652.10  2510.58  1214.13  1268.21   52.948   31.956   43.886   24.292 0.000000 0.000000 
1 1 1   46    0   20 o   97.536   21.536  4641.46  1491.77  4901.16  3250.10  4572.15  1679.09   78.598   40.224   93.282   25.637 0.000000 0.000000 
1 1 1   46    0   21 o   33.855   20.910  534.524  1130.84  5231.43  2581.23 -581.0944  1258.00   85.080   36.504   26.728   18.292 0.000000 0.000000 
1 1 1   46    0   22 f   52.918   24.597  1955.65  1172.47  2312.46  3189.91  1899.92  1260.72   52.202   33.426   51.091   25.274 0.000000 0.000000 
1 1 1   46    2    0 o  583.087   41.962 142017.41 19734.04 142017.41 19734.04   0.0000   0.0000  583.087   41.962  ?   ?  0.000000 41.96214 
1 1 1   46    2    1 o  402.454   29.706 66928.82  9638.58 66928.82  9638.58   0.0000   0.0000  402.454   29.706  ?   ?  0.000000 29.70563 
1 1 1   46    2    2 o  916.788   44.934 351671.00 33448.84 341099.91 47240.07 362299.31 47367.77  885.718   66.164  914.713   64.183 -28.99487 92.17995 
1 1 1   46    2    3 o  542.692   21.372 120454.10  9417.41 107547.80 16085.16 127185.40 11616.50  506.938   39.387  556.738   25.697 -49.79947 47.02869 
1 1 1   46    2    4 o  752.777   32.159 234108.50 19656.33 280600.69 33831.94 210417.41 24150.67  811.759   51.597  708.132   42.194 103.6270 66.65257 
1 1 1   46    2    5 o  329.180   13.793 44140.31  3686.70 40454.10  6188.57 46168.20  4590.09  313.071   24.541  336.384   16.805 -23.31256 29.74399 
1 1 1   46    2    6 o  520.923   18.665 110883.10  7894.69 110877.90 11160.15 110888.30 11169.42  518.538   26.596  518.557   26.617 -0.1861572E-01 37.62732 
1 1 1   46    2    7 o  469.526   20.168 90225.56  7688.84 84592.54  9456.82 101211.30 13206.57  452.765   25.831  492.881   33.193 -40.11661 42.05949 
1 1 1   46    2    8 o  262.018   10.727 27941.31  2282.25 29070.28  3224.97 26808.66  3230.22  266.533   14.962  255.827   15.625 10.70546 21.63388 
1 1 1   46    2    9 o  445.420   15.553 81007.44  5624.84 83948.13  7962.53 78078.27  7946.94  452.219   21.685  435.366   22.558 16.85358 31.29071 
1 1 1   46    2   10 o  283.400   13.864 32770.96  3190.23 33779.77  3858.16 30590.10  5672.73  286.943   16.631  270.902   26.113 16.04156 30.95908 
1 1 1   46    2   11 o  300.729   14.045 36929.85  3429.54 37075.44  6238.93 36866.81  4105.45  298.166   26.031  299.612   16.945 -1.446625 31.06046 
1 1 1   46    2   12 o  515.293   18.760 109144.80  7849.12 109183.00 11125.44 109107.00 11075.41  511.423   26.886  511.305   26.770 0.1174011 37.94084 
1 1 1   46    2   13 o  401.809   15.413 66277.97  5028.50 68016.78  7139.19 64565.99  7083.87  404.259   21.830  393.654   22.254 10.60513 31.17358 
1 1 1   46    2   14 o  166.887   9.1268 11401.03  1232.06 11875.04  1756.78 10942.23  1728.37  169.660   12.848  162.749   13.193 6.911163 18.41512 
1 1 1   46    2   15 o  279.570   11.670 32085.79  2649.12 33223.56  3776.31 30983.34  3717.23  282.466   16.537  272.603   16.877 9.862823 23.62853 
1 1 1   46    2   16 f  338.573   13.500 47382.07  3711.33 48479.01  5267.61 46300.82  5229.81  338.903   19.222  330.963   19.548 7.939636 27.41521 
1 1 1   46    2   17 f   94.133   11.155  3699.54  836.018  3716.31  1196.08  3683.53  1169.00   92.926   16.454   92.599   16.134 0.3272018 23.04457 
1 1 1   46    2   18 o  259.955   12.109 28018.00  2555.82 26707.26  3635.95 29298.23  3593.38  250.104   18.025  262.754   16.933 -12.65002 24.73126 
1 1 1   46    2   19 o  127.495   10.637  6776.43  1091.15  8735.34  1533.29  4766.44  1553.15  143.882   13.274  103.642   19.162 40.24043 23.31047 
1 1 1   46    2   20 o   54.747   16.226  1316.04  772.762  707.950  1108.24  1891.49  1078.09   48.648   19.136   64.808   19.155 -16.15992 27.07572 
1 1 1   46    2   21 o   65.236   15.391  1917.45  802.064  1223.52  1077.76  2778.82  1200.76   54.186   19.364   77.128   19.238 -22.94193 27.29559 
1 1 1   46    2   22 f   41.643   16.328  565.253  804.396  1625.35  1143.62 -472.7621  1131.65   58.937   20.016   36.887   16.869 22.04990 26.17632 
1 1 1   46    4    0 o  577.019   28.789 136823.70 13488.26 141188.59 19026.87 132414.00 19124.07  581.402   40.558  562.313   42.193 19.08875 58.52566 
1 1 1   46    4    1 o  888.316   64.388 342034.91 46127.04 342034.91 46127.04   0.0000   0.0000  888.316   64.388  ?   ?  0.000000 64.38849 
1 1 1   46    4    2 o  798.338   57.340 273580.69 36921.55 273580.69 36921.55   0.0000   0.0000  798.338   57.340  ?   ?  0.000000 57.34000 
1 1 1   46    4    3 o  766.268   38.876 245039.80 24108.78 254207.41 33765.14 235505.00 34434.66  770.709   54.303  739.161   57.836 31.54797 79.33341 
1 1 1   46    4    4 o  160.427   10.837 10517.68  1403.40  9971.49  1795.79 11374.59  2249.33  155.786   14.358  166.123   16.912 -10.33650 22.18479 
1 1 1   46    4    5 o  212.898   10.231 18436.36  1768.63 17592.38  2866.56 18955.11  2247.38  206.905   17.219  215.368   12.911 -8.462952 21.52204 
1 1 1   46    4    6 f  374.308   16.100 57162.87  4893.27 63078.34  8269.32 53975.46  6070.07  390.768   26.214  362.563   20.705 28.20538 33.40482 
1 1 1   46    4    7 o  541.274   19.926 119909.70  8757.49 125736.00 12385.95 114085.10 12383.96  551.526   27.747  524.785   29.178 26.74048 40.26487 
1 1 1   46    4    8 o  536.512   22.658 118189.90  9870.31 122963.10 12130.32 108837.60 16979.71  545.136   27.494  506.611   41.647 38.52530 49.90327 
1 1 1   46    4    9 o   76.873   9.6416  2442.09  588.572  2037.75  684.506  3588.95  1152.82   69.657   12.565   92.448   15.933 -22.79082 20.29111 
1 1 1   46    4   10 o  121.928   7.9093  6071.04  778.805  6395.26  1107.66  5754.05  1095.24  124.821   11.043  118.281   11.551 6.539459 15.98066 
1 1 1   46    4   11 o  308.971   11.697 38917.97  2934.45 40205.73  4182.13 37669.11  4118.49  312.972   16.516  302.849   16.815 10.12268 23.56889 
1 1 1   46    4   12 o  411.238   17.838 69469.27  5956.46 67538.90 10669.41 70343.33  7179.42  398.550   33.274  412.190   21.526 -13.64035 39.63018 
1 1 1   46    4   13 o  122.778   8.8562  6175.32  876.964  5747.08  1268.97  6566.83  1213.33  117.693   13.525  126.175   11.987 -8.482498 18.07231 
1 1 1   46    4   14 o  287.724   12.358 33954.05  2887.09 34435.89  4128.76 33493.01  4038.64  287.696   17.761  283.773   17.615 3.923431 25.01494 
1 1 1   46    4   15 o  190.775   9.7754 14933.33  1509.15 14163.43  2147.31 15684.79  2121.45  184.626   14.439  194.613   13.509 -9.987320 19.77314 
1 1 1   46    4   16 f   48.227   13.983  983.582  579.475  1279.59  749.376  543.335  913.901   54.835   15.902   44.816   17.450 10.01937 23.60923 
1 1 1   46    4   17 o  113.788   10.407  5368.94  950.874  5306.58  1338.10  5432.56  1351.48  111.844   15.122  113.199   15.079 -1.354996 21.35554 
1 1 1   46    4   18 o  124.217   10.334  6405.43  1032.85  6750.91  1482.40  6079.49  1439.86  126.154   14.750  119.484   15.184 6.669792 21.16929 
1 1 1   46    4   19 o   80.174   13.740  2767.78  862.253  2766.22  1163.40  2769.69  1284.38   78.649   18.524   78.286   20.102 0.3625412 27.33491 
1 1 1   46    4   20 o  180.801   11.006 13694.90  1608.08 13891.15  2258.82 13493.23  2289.83  179.304   15.673  176.361   16.171 2.942307 22.51921 
1 1 1   46    4   21 o   99.288   12.191  4240.52  962.189  3625.56  1273.19  5059.49  1469.26   88.720   18.282  105.515   17.782 -16.79519 25.50330 
1 1 1   46    4   22 o   76.293   14.455  2634.07  862.682  2344.48  1100.63  3095.42  1389.18   69.626   18.958   78.676   21.247 -9.050613 28.47514 
1 1 1   46    6    0 o  283.760   23.102 33189.98  5276.56   0.0000   0.0000 33189.98  5276.56  ?   ?   283.760   23.102 0.000000 23.10189 
1 1 1   46    6    1 o  338.462   26.266 47319.58  7161.93   0.0000   0.0000 47319.58  7161.93  ?   ?   338.462   26.266 0.000000 26.26615 
1 1 1   46    6    2 o  1180.42   57.736 598317.38 55337.89 667213.19 78441.02 530055.31 78079.45  1214.74   79.976  1066.46   91.041 148.2813 121.1798 
1 1 1   46    6    3 o  948.692   35.646 373600.81 27458.53 391412.41 38757.71 355651.41 38907.16  959.858   49.901  912.491   52.737 47.36670 72.60426 
1 1 1   46    6    4 o  702.467   33.520 204428.70 19118.88 225001.30 23348.61 162564.20 33307.27  733.232   39.362  604.193   69.138 129.0394 79.55724 
1 1 1   46    6    5 o  707.196   29.118 206302.09 16720.25 214734.59 20439.14 189242.80 29071.30  718.978   35.011  662.485   54.528 56.49225 64.80087 
1 1 1   46    6    6 o  348.391   16.437 49542.86  4649.73 53095.91  5671.15 42256.12  8121.51  359.762   19.487  317.911   31.892 41.85049 37.37458 
1 1 1   46    6    7 o  176.924   12.347 12811.10  1762.55 16558.83  2348.54  7978.30  2666.94  200.992   14.488  137.243   24.847 63.74902 28.76235 
1 1 1   46    6    8 o  630.472   32.610 165759.70 16636.82 181280.91 23343.99 149739.09 23716.48  652.221   44.343  588.676   50.094 63.54529 66.90089 
1 1 1   46    6    9 o  245.672   11.274 24582.07  2248.97 23713.52  3732.39 25077.17  2817.98  239.790   19.334  247.516   14.080 -7.725952 23.91747 
1 1 1   46    6   10 o  373.163   13.825 56837.19  4188.94 58142.64  5959.31 55562.20  5889.41  375.920   19.592  367.405   19.815 8.515106 27.86516 
1 1 1   46    6   11 f  284.250   11.573 32944.59  2671.06 30505.06  3814.08 35292.60  3741.85  272.259   17.343  293.251   15.773 -20.99164 23.44306 
1 1 1   46    6   12 f  473.767   20.369 92644.63  7835.77 84734.84 13993.86 96257.38  9457.42  441.838   39.420  480.678   24.310 -38.84012 46.31385 
1 1 1   46    6   13 o  510.328   18.447 107690.20  7643.70 108814.00 10871.27 106591.40 10749.41  507.510   26.473  502.305   26.449 5.204590 37.42170 
1 1 1   46    6   14 o   51.296   13.032  1122.69  543.891  1235.23  759.501  1004.22  779.233   54.250   16.088   50.244   16.512 4.006477 23.05343 
1 1 1   46    6   15 o  139.942   9.0760  8041.74  1025.72  7784.62  1460.47  8292.03  1440.92  136.782   13.319  141.362   12.689 -4.580353 18.39558 
1 1 1   46    6   16 o  137.598   9.2392  7790.66  1026.25  7552.73  1454.11  8026.78  1448.59  134.455   13.502  138.784   13.007 -4.329254 18.74746 
1 1 1   46    6   17 o   53.836   14.118  1250.36  624.768  2465.64  872.702 -27.3186  894.823   75.677   14.732   37.651   16.199 38.02619 21.89667 
1 1 1   46    6   18 o   24.593   11.247 -328.5030  503.023 -962.1608  629.590  789.972  836.457   23.143   11.167   46.832   17.016 -23.68859 20.35320 
1 1 1   46    6   19 o   79.717   13.115  2727.85  819.375  3386.52  1070.41  1795.68  1273.39   88.181   15.516   64.312   21.107 23.86848 26.19640 
1 1 1   46    6   20 o   30.612   13.378 -86.0779  630.104  297.029  821.298 -634.2095  982.388   39.263   16.108   33.685   15.519 5.577961 22.36724 
1 1 1   46    6   21 o   53.264   16.210  1272.71  763.741  1944.38  925.909 -157.1236  1350.93   64.910   17.267   43.198   19.202 21.71204 25.82356 
1 1 1   46    6   22 o   58.225   15.338  1573.26  735.231  1140.80  887.053  2522.39  1314.14   50.647   17.612   70.785   21.201 -20.13741 27.56204 
1 1 1   46    8    0 o  308.255   24.680 39249.04  6125.40   0.0000   0.0000 39249.04  6125.40  ?   ?   308.255   24.680 0.000000 24.67985 
1 1 1   46    8    1 o  876.279   64.802 337094.69 45780.16   0.0000   0.0000 337094.69 45780.16  ?   ?   876.279   64.802 0.000000 64.80190 
1 1 1   46    8    2 o  163.487   12.597 10946.93  1659.31 11021.06  2510.27 10889.41  2211.31  163.083   19.334  162.469   17.015 0.6138763 25.75457 
1 1 1   46    8    3 o  373.386   19.902 57179.22  6012.19 60706.17  8677.05 53922.42  8338.12  382.882   28.107  360.579   28.717 22.30310 40.18322 
1 1 1   46    8    4 o  305.287   10.685 37921.16  2648.58 38270.52  3683.34 37547.11  3811.25  306.381   14.806  303.014   15.543 3.366730 21.46630 
1 1 1   46    8    5 o  639.251   23.428 167734.00 12160.21 176095.59 17166.38 159312.20 17228.05  651.735   32.439  618.193   34.459 33.54224 47.32581 
1 1 1   46    8    6 o  634.524   27.206 166030.30 14017.00 179513.80 17154.80 138945.59 24313.48  657.782   32.119  565.956   53.545 91.82574 62.43959 
1 1 1   46    8    7 o  624.061   25.817 160511.80 13082.00 168727.00 16025.58 144102.80 22648.91  637.752   30.947  578.661   48.656 59.09045 57.66389 
1 1 1   46    8    8 o  708.292   29.660 208094.50 17057.59 219205.41 20901.96 185941.30 29514.23  723.591   35.576  649.765   56.504 73.82538 66.77115 
1 1 1   46    8    9 o  288.533   21.659 34411.52  5037.29 34411.52  5037.29   0.0000   0.0000  288.533   21.659  ?   ?  0.000000 21.65928 
1 1 1   46    8   10 o   38.325   10.921  612.816  356.326  1242.00  440.493 -578.3486  606.089   54.325   10.364   25.545   11.913 28.77985 15.79031 
1 1 1   46    8   11 o  479.677   19.022 94609.66  7408.71 82562.20 12621.24 100943.30  9151.24  439.924   35.640  494.105   22.810 -54.18164 42.31406 
1 1 1   46    8   12 o  517.943   18.421 110590.50  7747.05 114197.50 11018.66 107064.40 10894.36  522.415   25.976  504.799   26.674 17.61594 37.23264 
1 1 1   46    8   13 o   89.742   9.1105  3319.60  654.657  3568.86  899.751  3039.19  954.304   92.546   12.277   84.860   14.362 7.685692 18.89424 
1 1 1   46    8   14 o  117.904   8.6680  5707.16  824.002  5626.96  1154.37  5790.46  1176.57  116.391   12.406  118.076   12.460 -1.685066 17.58320 
1 1 1   46    8   15 o  159.592   9.3626 10461.36  1207.93 11101.22  1718.06  9835.88  1698.64  163.546   13.046  153.693   13.757 9.853577 18.95954 
1 1 1   46    8   16 o  202.590   10.411 16910.94  1706.78 18351.32  2443.30 15538.20  2385.25  209.671   14.440  192.491   15.390 17.18036 21.10325 
1 1 1   46    8   17 o   32.231   12.915  217.203  513.742  469.837  692.112 -92.7980  766.677   39.884   15.278   34.151   14.843 5.733513 21.30059 
1 1 1   46    8   18 o   37.744   14.183  456.187  589.631  190.741  744.477  902.920  965.801   36.846   15.249   49.943   18.264 -13.09657 23.79252 
1 1 1   46    8   19 o   14.314   7.2322 -1349.9150  404.723 -1570.1090  461.839 -621.1921  840.174   15.163   7.6687   30.825   14.254 -15.66228 16.18636 
1 1 1   46    8   20 o   89.342   12.381  3428.16  873.998  4136.36  1097.27  2198.99  1445.56   97.460   14.290   68.975   22.481 28.48472 26.63863 
1 1 1   46    8   21 o   80.129   13.244  2827.20  831.572  2191.69  995.685  4292.68  1511.99   68.481   17.758   94.854   20.248 -26.37289 26.93163 
1 1 1   46   10    0 o  552.006   40.603 128364.90 18070.87   0.0000   0.0000 128364.90 18070.87  ?   ?   552.006   40.603 0.000000 40.60284 
1 1 1   46   10    1 o  406.035   30.832 68555.63 10089.02   0.0000   0.0000 68555.63 10089.02  ?   ?   406.035   30.832 0.000000 30.83207 
1 1 1   46   10    2 o  239.343   15.533 23465.13  3002.41 20204.13  4411.95 26277.94  4097.56  220.336   25.109  252.614   20.144 -32.27811 32.19120 
1 1 1   46   10    3 o  630.073   31.281 164361.80 16003.16 174497.20 22821.60 154556.50 22446.82  641.786   44.061  602.577   46.230 39.20905 63.86419 
1 1 1   46   10    4 o  726.109   54.031 228083.50 31627.38 228083.50 31627.38   0.0000   0.0000  726.109   54.031  ?   ?  0.000000 54.03105 
1 1 1   46   10    5 o  363.954   15.673 54065.45  4631.59 62287.30  8297.76 50344.63  5582.08  387.871   26.506  350.124   19.715 37.74738 33.03434 
1 1 1   46   10    6 o  106.158   6.5112  4596.92  558.530  4278.79  738.594  5021.81  853.589  102.173   8.9946  110.688   9.5924 -8.515236 13.14979 
1 1 1   46   10    7 o  314.819   11.990 40380.37  3064.82 42824.75  4334.75 37936.99  4333.86  323.272   16.570  304.022   17.632 19.25015 24.19598 
1 1 1   46   10    8 o  276.956   11.299 31247.04  2540.98 32881.02  3602.80 29629.86  3584.24  283.226   15.728  268.681   16.509 14.54498 22.80215 
1 1 1   46   10    9 o  133.016   11.838  7268.94  1265.22  7268.94  1265.22   0.0000   0.0000  133.016   11.838  ?   ?  0.000000 11.83826 
1 1 1   46   10   10 o  257.436   11.836 27031.32  2473.99 25979.90  3043.78 29078.20  4246.88  251.595   14.967  265.175   19.869 -13.57999 24.87518 
1 1 1   46   10   11 o  419.890   21.333 73077.88  7249.27 71270.44 10041.98 75044.86 10475.79  410.380   30.352  420.868   30.870 -10.48843 43.29234 
1 1 1   46   10   12 o  188.161   9.9106 14488.91  1508.80 14458.39  2379.70 14509.42  1951.09  186.817   15.837  187.783   12.874 -0.9661407 20.40964 
1 1 1   46   10   13 o  182.912   10.140 13722.29  1500.15 15445.36  2355.67 12546.78  1945.69  192.930   15.160  174.091   13.880 18.83896 20.55392 
1 1 1   46   10   14 o   64.528   10.613  1750.52  536.712  1845.40  702.040  1617.07  832.603   65.724   13.603   61.336   16.401 4.388435 21.30806 
1 1 1   46   10   15 o  191.730   9.9174 15115.18  1538.65 17147.58  2212.31 13211.04  2141.37  203.190   13.486  177.752   14.976 25.43858 20.15340 
1 1 1   46   10   16 o  120.589   9.5332  6005.54  925.819  7169.83  1253.14  4606.31  1373.77  131.247   11.888  103.506   16.932 27.74112 20.68823 
1 1 1   46   10   17 o  186.359   10.310 14361.85  1553.95 14508.99  2212.05 14218.48  2183.47  185.540   14.807  183.681   14.765 1.858017 20.91015 
1 1 1   46   10   18 o   17.695   8.5687 -618.7990  379.132 -721.7839  432.252 -275.3379  789.384   18.753   9.0973   32.678   14.591 -13.92476 17.19508 
1 1 1   46   10   19 o   25.405   11.451 -231.9881  498.787 -823.5278  613.052  926.410  857.896   23.501   11.256   48.688   17.289 -25.18699 20.63008 
1 1 1   46   10   20 o   66.772   13.417  1964.61  702.203  1567.84  860.577  2755.06  1214.68   58.848   17.034   76.804   19.456 -17.95577 25.85922 
1 1 1   46   10   21 o   74.960   14.239  2525.10  834.966  1897.63  1004.97  3923.64  1500.36   63.279   18.434   89.483   21.009 -26.20412 27.95014 
1 1 1   46   12    1 o  633.977   46.765 171690.41 23903.35   0.0000   0.0000 171690.41 23903.35  ?   ?   633.977   46.765 0.000000 46.76529 
1 1 1   46   12    2 o  328.876   26.292 44844.35  6962.33   0.0000   0.0000 44844.35  6962.33  ?   ?   328.876   26.292 0.000000 26.29240 
1 1 1   46   12    3 o  217.481   14.534 19377.48  2551.69 20982.97  3807.75 18068.79  3437.82  225.277   21.061  209.010   20.522 16.26653 29.40598 
1 1 1   46   12    4 o  285.606   16.834 33445.96  3886.56 35872.66  5717.31 31361.13  5299.31  294.340   24.135  275.121   23.962 19.21921 34.00943 
1 1 1   46   12    5 o  503.470   19.943 103894.50  8152.68 124386.90 14506.31 94433.59  9856.57  545.544   32.902  477.920   25.492 67.62405 41.62216 
1 1 1   46   12    6 o  478.512   19.592 93868.07  7612.29 100646.90 13599.64 90775.16  9186.18  489.467   34.438  468.771   24.217 20.69672 42.10064 
1 1 1   46   12    7 o  211.307   11.274 18241.43  1927.33 20110.33  3806.12 17596.96  2235.08  220.161   21.568  207.266   13.352 12.89497 25.36669 
1 1 1   46   12    8 o  264.683   11.596 28554.52  2492.24 32113.38  3530.39 25019.06  3518.76  279.821   15.600  246.494   17.699 33.32684 23.59285 
1 1 1   46   12    9 o  336.373   17.032 46487.80  4636.78 47087.48  5682.23 45292.68  8021.67  337.555   20.834  327.770   30.491 9.785126 36.92850 
1 1 1   46   12   10 o   20.701   8.2770   83.706  210.529  118.032  224.036 -175.4788  615.617   22.097   8.6299   29.780   13.113 -7.682840 15.69785 
1 1 1   46   12   11 o  429.028   18.842 76040.73  6563.86 74915.99  8084.93 78215.52 11242.43  423.158   23.625  426.728   32.695 -3.569977 40.33780 
1 1 1   46   12   12 o  260.627   11.794 27825.44  2495.82 26758.11  3074.68 29887.30  4273.47  254.474   14.946  267.263   19.834 -12.78886 24.83504 
1 1 1   46   12   13 o  219.371   12.644 19853.72  2242.57 18526.56  2929.26 21733.09  3485.80  210.424   17.298  227.316   19.062 -16.89183 25.74022 
1 1 1   46   12   14 o   92.125   8.8086  3502.37  650.869  3868.31  863.911  3021.99  989.818   96.396   11.249   84.172   15.034 12.22359 18.77697 
1 1 1   46   12   15 f   99.951   9.1853  4128.48  737.112  4896.92  965.695  3055.81  1140.95  108.520   11.116   83.903   17.322 24.61688 20.58193 
1 1 1   46   12   16 o  178.744   9.9104 13181.68  1432.71 14410.78  2003.86 11896.32  2049.21  185.725   13.378  167.959   15.190 17.76523 20.24128 
1 1 1   46   12   17 f   53.410   11.628  1227.42  489.970  1862.09  592.299 -148.3870  872.053   66.138   11.444   35.805   15.690 30.33302 19.41977 
1 1 1   46   12   18 o   88.697   9.9720  3295.36  705.725  3223.04  867.594  3436.80  1213.29   86.905   12.668   88.000   17.595 -1.095474 21.68081 
1 1 1   46   12   19 o  106.508   10.056  4761.44  859.395  4558.72  1070.57  5128.80  1441.16  103.046   13.090  107.472   17.087 -4.425865 21.52498 
1 1 1   46   12   20 o  145.350   10.116  8905.53  1186.45  8790.03  1523.06  9083.80  1892.16  142.510   13.317  142.476   16.671 0.3366089E-01 21.33692 
1 1 1   46   12   21 o   46.924   14.430  989.934  603.302  797.988  690.111  1612.16  1242.52   43.777   15.511   58.613   20.807 -14.83581 25.95231 
1 1 1   46   14    0 o  158.692   20.015 10482.19  2521.64   0.0000   0.0000 10482.19  2521.64  ?   ?   158.692   20.015 0.000000 20.01511 
1 1 1   46   14    1 o  770.375   57.919 261681.91 35964.32   0.0000   0.0000 261681.91 35964.32  ?   ?   770.375   57.919 0.000000 57.91908 
1 1 1   46   14    2 o  234.783   21.561 22817.88  4064.42   0.0000   0.0000 22817.88  4064.42  ?   ?   234.783   21.561 0.000000 21.56117 
1 1 1   46   14    3 o  341.415   19.662 47934.78  5427.50 46287.23  7918.27 49394.80  7454.03  332.794   29.613  344.724   26.842 -11.93030 39.96769 
1 1 1   46   14    4 o  320.049   18.727 42102.14  4845.46 41717.63  7109.58 42435.68  6621.46  316.209   27.979  319.597   25.734 -3.387451 38.01428 
1 1 1   46   14    5 f  266.235   12.011 28888.76  2596.48 35863.65  5015.49 26335.05  3034.80  294.721   21.098  253.515   14.807 41.20605 25.77590 
1 1 1   46   14    6 o  371.398   15.420 56380.19  4650.17 64195.88  8583.20 53132.99  5532.48  392.681   27.085  359.425   19.025 33.25546 33.09930 
1 1 1   46   14    7 o  301.632   13.427 37140.32  3288.50 41408.62  6280.78 35528.31  3859.84  315.528   24.713  294.208   16.220 21.32022 29.56047 
1 1 1   46   14    8 o  312.018   14.302 39796.33  3623.42 38221.99  6918.96 40391.28  4253.31  301.473   28.608  313.507   16.769 -12.03336 33.16064 
1 1 1   46   14    9 o  251.811   16.815 26138.70  3418.25 24738.80  5308.77 27130.12  4467.60  241.886   27.520  255.284   21.761 -13.39755 35.08395 
1 1 1   46   14   10 o  141.946   10.810  8273.10  1236.53  8765.72  2880.95  8161.86  1369.05  142.654   25.823  140.783   12.094 1.870743 28.51468 
1 1 1   46   14   11 f  135.476   9.0837  7522.84  993.442  9633.00  1348.80  5020.73  1468.73  153.088   10.923  108.960   17.169 44.12814 20.34925 
1 1 1   46   14   12 o   57.956   7.9224  1395.41  363.049  1600.10  408.841  632.112  789.499   62.068   8.3220   44.261   16.455 17.80642 18.43986 
1 1 1   46   14   13 o   85.964   9.0589  3055.73  622.793  3503.23  695.287  1239.23  1400.83   92.042   9.4367   59.625   21.967 32.41754 23.90787 
1 1 1   46   14   14 o   85.778   8.9991  3045.69  617.441  2830.60  690.886  3899.05  1376.14   82.348   10.577   94.750   18.551 -12.40163 21.35474 
1 1 1   46   14   15 o  116.380   9.7012  5601.93  908.378  5369.09  1048.03  6305.12  1821.32  113.484   11.534  120.512   19.262 -7.027870 22.45103 
1 1 1   46   14   16 o   59.026   9.3525  1466.90  433.293  1306.38  498.831  1960.24  874.486   55.192   11.504   66.879   16.261 -11.68712 19.91895 
1 1 1   46   14   17 o   88.781   9.1849  3282.15  652.538  3066.25  770.876  3827.91  1225.64   85.193   11.433   93.521   16.756 -8.327965 20.28455 
1 1 1   46   14   18 o   71.722   9.9605  2172.90  564.401  1767.35  666.607  3199.69  1060.69   63.623   13.330   85.199   15.918 -21.57589 20.76244 
1 1 1   46   14   19 o   47.371   12.725  986.635  499.875  897.755  554.385  1373.09  1156.01   45.484   13.803   56.831   20.081 -11.34635 24.36770 
1 1 1   46   14   20 o   86.264   10.520  3188.02  721.586  2711.64  831.905  4635.38  1450.05   78.115   13.611   99.402   18.651 -21.28671 23.08912 
1 1 1   46   16    0 o  347.308   28.581 50401.04  7988.36   0.0000   0.0000 50401.04  7988.36  ?   ?   347.308   28.581 0.000000 28.58097 
1 1 1   46   16    1 o  270.727   24.311 30475.38  5287.00   0.0000   0.0000 30475.38  5287.00  ?   ?   270.727   24.311 0.000000 24.31053 
1 1 1   46   16    2 o  477.907   36.522 96688.00 14064.84   0.0000   0.0000 96688.00 14064.84  ?   ?   477.907   36.522 0.000000 36.52193 
1 1 1   46   16    3 o   82.407   16.640  2877.38  1075.05  5582.81  1721.52  1147.87  1376.44  115.187   19.074   59.187   21.779 56.00031 28.95072 
1 1 1   46   16    4 o  118.007   9.8636  5709.11  936.441  5744.13  2261.73  5701.86  1028.76  115.769   24.807  117.808   10.878 -2.038628 27.08718 
1 1 1   46   16    5 o  287.663   12.191 33749.17  2847.48 45992.24  5582.65 29443.96  3310.49  333.764   20.702  267.914   15.281 65.84946 25.73108 
1 1 1   46   16    6 o  207.108   10.929 17530.36  1831.32 21103.39  3768.61 16425.79  2095.36  225.482   20.819  200.184   12.961 25.29881 24.52376 
1 1 1   46   16    7 o  282.733   12.429 32633.64  2853.28 43699.95  5637.32 28822.32  3308.33  324.723   21.502  264.874   15.450 59.84927 26.47727 
1 1 1   46   16    8 o  293.744   13.154 35280.91  3137.39 43813.42  6216.72 32365.12  3634.14  323.931   23.803  280.421   16.027 43.50998 28.69551 
1 1 1   46   16    9 o  396.480   23.335 65774.80  7478.95 58825.32 11112.50 71529.05 10111.84  366.092   37.934  409.191   30.657 -43.09854 48.77375 
1 1 1   46   16   10 o  293.363   13.335 35333.71  3176.30 48147.18  6434.26 31205.01  3652.35  337.716   23.613  274.423   16.467 63.29279 28.78800 
1 1 1   46   16   11 o  284.039   13.929 33250.05  3212.47 40013.50  6806.94 31311.98  3643.78  303.799   27.907  274.379   16.431 29.41959 32.38468 
1 1 1   46   16   12 o  170.692   11.943 12040.10  1644.85 10175.03  4092.81 12399.36  1796.30  147.775   34.702  172.988   12.881 -25.21217 37.01563 
1 1 1   46   16   13 o   41.314   16.143  447.518  784.263  5189.60  3335.18  169.958  806.889  106.250   34.106   38.138   15.837 68.11192 37.60315 
1 1 1   46   16   14 o   50.988   16.947  1047.31  819.970  2011.50  2972.21  967.878  853.076   78.951   31.249   50.003   17.278 28.94865 35.70747 
1 1 1   46   16   15 o  225.335   11.552 21065.92  2106.41 21405.38  2571.22 20373.15  3673.10  225.981   14.083  216.229   21.193 9.752029 25.44575 
1 1 1   46   16   16 o  138.981   10.340  8028.21  1158.49  8543.89  1323.88  6342.56  2393.56  143.014   11.498  116.537   25.961 26.47664 28.39285 
1 1 1   46   16   17 o  102.214   8.5951  4336.29  706.727  3950.60  876.859  5051.31  1193.90   96.729   11.382  108.610   13.854 -11.88139 17.92979 
1 1 1   46   16   18 o   99.706   9.1734  4157.81  734.324  3683.00  868.860  5344.89  1373.81   92.903   11.783  110.280   15.793 -17.37622 19.70451 
1 1 1   46   16   19 o   97.503   9.4707  4011.23  740.333  3477.32  859.620  5544.52  1456.75   89.645   12.121  110.830   16.707 -21.18571 20.64028 
1 1 1   46   16   20 o  142.062   10.211  8611.46  1169.93  8318.94  1464.73  9126.94  1944.42  137.344   13.301  140.071   17.477 -2.726288 21.96244 
1 1 1   46   18    0 o  384.602   31.446 62350.32  9734.19   0.0000   0.0000 62350.32  9734.19  ?   ?   384.602   31.446 0.000000 31.44603 
1 1 1   46   18    1 o  378.031   17.817 58614.32  5468.81   0.0000   0.0000 58614.32  5468.81  ?   ?   378.031   17.817 0.000000 17.81667 
1 1 1   46   18    2 o  305.605   16.852 38380.87  4165.44   0.0000   0.0000 38380.87  4165.44  ?   ?   305.605   16.852 0.000000 16.85167 
1 1 1   46   18    3 o  173.734   11.018 12352.37  1546.24 11574.10  3469.62 12545.25  1727.24  164.914   26.834  174.930   12.238 -10.01559 29.49252 
1 1 1   46   18    4 o  184.165   9.4298 13847.66  1405.36 15966.63  3449.59 13425.97  1538.86  195.489   22.122  181.207   10.504 14.28157 24.48887 
1 1 1   46   18    5 o  220.720   10.978 19865.78  1967.47 21767.56  4548.11 19427.96  2182.22  227.685   25.014  217.797   12.391 9.888535 27.91440 
1 1 1   46   18    6 o  214.047   11.209 18745.00  1941.41 24340.41  4205.05 17229.22  2188.63  241.671   21.659  204.867   13.228 36.80338 25.37899 
1 1 1   46   18    7 o  257.299   13.313 27167.78  2771.89 22715.68  5583.24 28624.07  3193.21  229.846   30.683  263.755   14.972 -33.90895 34.14068 
1 1 1   46   18    8 o  319.052   15.004 41845.07  3886.99 41302.80  7633.33 42034.91  4516.39  309.617   30.771  318.602   17.526 -8.984253 35.41199 
1 1 1   46   18    9 o  215.579   17.279 19366.22  2999.12 18051.48  5212.14 20016.99  3667.01  201.482   33.003  217.891   20.986 -16.40939 39.11016 
1 1 1   46   18   10 f  236.371   13.031 23063.43  2491.32 30982.37  5753.49 21236.01  2763.86  267.397   26.863  226.127   15.141 41.26949 30.83573 
1 1 1   46   18   11 o   85.288   13.339  3070.73  893.463  5463.86  3594.70  2913.16  922.408  109.565   35.433   82.816   14.230 26.74961 38.18355 
1 1 1   46   18   12 o  179.129   12.518 13309.35  1809.32 15906.05  5047.61 12926.52  1938.11  183.982   35.069  176.167   13.656 7.815216 37.63392 
1 1 1   46   18   13 o  137.518   12.112  7874.92  1338.66  9702.01  4619.54  7707.42  1398.67  139.119   39.211  135.829   12.834 3.289703 41.25750 
1 1 1   46   18   14 o  231.598   13.887 22453.61  2599.36 24690.50  6747.96 22063.86  2816.73  222.314   38.794  228.869   15.244 -6.554520 41.68130 
1 1 1   46   18   15 o  109.538   15.047  5139.44  1302.91  7614.62  5091.24  4965.98  1347.79  118.772   42.124  107.302   15.955 11.47066 45.04419 
1 1 1   46   18   16 o  151.486   13.544  9729.08  1648.33  1052.31  6008.26 10435.29  1714.10   87.430   39.543  156.902   13.589 -69.47241 41.81253 
1 1 1   46   18   17 o   65.113   23.827  1785.15  1644.19 -1033.8330  5643.79  2046.58  1718.74   76.660   35.945   68.287   24.447 8.372566 43.47057 
1 1 1   46   18   18 o   93.416   27.627  4570.71  2242.12   0.0000   0.0000  4570.71  2242.12  ?   ?    93.416   27.627 0.000000 27.62707 
1 1 1   46   18   19 o   44.859   18.571  503.770  1104.78   0.0000   0.0000  503.770  1104.78  ?   ?    44.859   18.571 0.000000 18.57097 
1 1 1   46   20    0 o  349.003   20.071 50376.84  5663.68   0.0000   0.0000 50376.84  5663.68  ?   ?   349.003   20.071 0.000000 20.07079 
1 1 1   46   20    1 o  192.885   9.4557 15156.61  1480.92   0.0000   0.0000 15156.61  1480.92  ?   ?   192.885   9.4557 0.000000 9.455727 
1 1 1   46   20    2 o  335.298   18.239 46371.77  4946.97   0.0000   0.0000 46371.77  4946.97  ?   ?   335.298   18.239 0.000000 18.23922 
1 1 1   46   20    3 o  135.213   9.7751  7489.89  1065.97   0.0000   0.0000  7489.89  1065.97  ?   ?   135.213   9.7751 0.000000 9.775116 
1 1 1   46   20    4 o   23.959   10.156   7.5791  342.510  6065.21  1848.70 -207.7430  348.545  119.723   19.703   20.903   9.4824 98.81965 21.86600 
1 1 1   46   20    5 o  179.685   10.482 13221.57  1522.69 13094.75  3904.65 13244.31  1653.61  174.180   28.602  179.701   11.392 -5.520859 30.78686 
1 1 1   46   20    6 o  154.298   11.224  9783.59  1396.52  8305.74  3507.54 10062.00  1522.39  136.626   32.153  156.341   12.087 -19.71541 34.34973 
1 1 1   46   20    7 o  323.117   14.399 42959.93  3777.76 53333.56  7910.14 39894.70  4299.82  352.703   27.847  310.069   17.145 42.63385 32.70224 
1 1 1   46   20    8 o  125.032   18.449  6639.47  1816.71 10248.38  3972.19  5684.90  2042.89  150.057   33.455  114.244   22.821 35.81317 40.49723 
1 1 1   46   20    9 o  117.535   11.729  5730.87  1104.42  5798.98  3931.37  5725.03  1150.76  113.057   37.085  117.361   12.257 -4.303810 39.05814 
1 1 1   46   20   10 o   44.655   15.643  741.782  700.375 -6901.6182  3497.05  1061.17  714.858   49.433   24.370   50.576   15.734 -1.142536 29.00755 
1 1 1   46   20   11 o  108.215   13.640  4925.65  1171.89  7798.18  4256.68  4690.08  1219.00  126.522   38.215  105.274   14.659 21.24732 40.93035 
1 1 1   46   20   12 o  138.795   12.801  8048.59  1426.37  2196.03  5051.95  8555.55  1486.86   92.522   39.100  143.090   12.937 -50.56764 41.18483 
1 1 1   46   20   13 f  207.480   13.781 18035.53  2308.52 11549.10  6638.13 18927.94  2462.21  142.191   48.224  212.288   14.369 -70.09630 50.31884 
1 1 1   46   20   14 o  159.553   13.763 10738.79  1765.63  5062.71  6110.11 11255.94  1844.31  105.775   43.722  163.247   14.051 -57.47233 45.92447 
1 1 1   46   20   15 o  121.413   14.847  6328.23  1433.17  8921.25  5296.29  6123.36  1488.71  123.261   43.026  118.989   15.799 4.272430 45.83495 
1 1 1   46   20   16 o  108.485   15.600  5143.59  1334.63 -9655.5449  6588.27  5776.89  1362.88   65.242   32.392  115.418   14.890 -50.17621 35.65059 
1 1 1   46   20   17 o   56.254   20.721  1295.36  1246.38   0.0000   0.0000  1295.36  1246.38  ?   ?    56.254   20.721 0.000000 20.72099 
1 1 1   46   20   18 o  109.352   18.866  5616.95  1614.62   0.0000   0.0000  5616.95  1614.62  ?   ?   109.352   18.866 0.000000 18.86620 
1 1 1   46   22    0 o  243.214   16.605 24459.64  3259.66   0.0000   0.0000 24459.64  3259.66  ?   ?   243.214   16.605 0.000000 16.60542 
1 1 1   46   22    1 o  122.995   14.626  6293.74  1432.05   0.0000   0.0000  6293.74  1432.05  ?   ?   122.995   14.626 0.000000 14.62619 
1 1 1   46   22    2 o  195.468   10.905 15658.37  1723.81   0.0000   0.0000 15658.37  1723.81  ?   ?   195.468   10.905 0.000000 10.90457 
1 1 1   46   22    3 o  236.479   13.531 23014.68  2587.38   0.0000   0.0000 23014.68  2587.38  ?   ?   236.479   13.531 0.000000 13.53119 
1 1 1   46   22    4 o  178.937   10.919 13144.45  1578.91 14383.13  4755.89 12991.02  1673.84  179.424   33.887  177.748   11.662 1.676544 35.83735 
1 1 1   46   22    5 o  307.653   14.658 39009.29  3661.72 37229.03  8531.15 39411.33  4054.16  287.241   37.471  308.305   16.252 -21.06339 40.84360 
1 1 1   46   22    6 o  334.134   14.542 46086.47  3945.19 55668.93  9050.52 43838.52  4383.59  355.330   31.702  324.639   16.686 30.69156 35.82543 
1 1 1   46   22    7 o  253.646   12.399 26477.00  2553.64 41165.19  6107.74 23365.49  2811.14  309.446   24.509  237.213   14.667 72.23344 28.56236 
1 1 1   46   22    8 o  271.579   14.865 30681.63  3265.47 34379.36  7538.15 29827.44  3623.06  273.801   34.685  266.871   16.806 6.929291 38.54193 
1 1 1   46   22    9 o  126.009   11.574  6593.27  1170.97 16878.28  4007.09  5632.97  1224.42  195.548   25.872  115.976   13.240 79.57195 29.06301 
1 1 1   46   22   10 o  162.960   12.291 11038.31  1614.36 14348.87  5364.08 10708.59  1692.85  169.876   39.617  160.234   13.127 9.642395 41.73481 
1 1 1   46   22   11 o  193.190   13.323 15586.43  2077.07 14197.14  6188.60 15762.79  2204.97  162.214   45.266  193.964   14.097 -31.74982 47.41004 
1 1 1   46   22   12 o  106.345   14.742  4824.75  1238.72  3430.90  5327.65  4904.40  1273.62   97.543   40.614  107.124   15.058 -9.581612 43.31585 
1 1 1   46   22   13 o   81.079   18.507  2930.47  1191.54  5501.94  5697.16  2812.84  1218.48  106.411   42.876   79.234   19.152 27.17787 46.95907 
1 1 1   46   22   14 o   55.746   19.939  1229.74  1143.02 12090.74  6126.33  838.030  1163.44  138.718   46.331   51.051   19.742 87.66653 50.36141 
1 1 1   46   22   15 o   83.061   19.410  3165.11  1285.54 17836.19  6924.56  2641.42  1308.28  160.939   48.771   75.437   20.723 85.50159 52.99080 
1 1 1   46   22   16 o   53.168   20.712  999.096  1287.88   0.0000   0.0000  999.096  1287.88  ?   ?    53.168   20.712 0.000000 20.71152 
1 1 1   46   22   17 o   75.311   22.529  2841.86  1484.64   0.0000   0.0000  2841.86  1484.64  ?   ?    75.311   22.529 0.000000 22.52907 
1 1 1   46   24    0 o  190.188   15.804 15062.24  2418.49   0.0000   0.0000 15062.24  2418.49  ?   ?   190.188   15.804 0.000000 15.80433 
1 1 1   46   24    1 o   81.530   17.030  2857.45  1091.01   0.0000   0.0000  2857.45  1091.01  ?   ?    81.530   17.030 0.000000 17.02980 
1 1 1   46   24    2 o  215.898   17.368 19500.13  3018.83   0.0000   0.0000 19500.13  3018.83  ?   ?   215.898   17.368 0.000000 17.36768 
1 1 1   46   24    3 o  268.950   16.172 30121.86  3515.10   0.0000   0.0000 30121.86  3515.10  ?   ?   268.950   16.172 0.000000 16.17155 
1 1 1   46   24    4 o  ?   ?  -757.8492   69.847 -666.7511  2807.57 -757.9055   69.869   62.207   27.665  ?   ?  0.000000 27.66536 
1 1 1   46   24    5 o   97.934   10.709  3982.62  837.690  5782.69  3534.86  3875.51  862.251  111.953   35.013   96.487   11.215 15.46603 36.76555 
1 1 1   46   24    6 o  111.320   19.653  5370.09  1711.44  3332.15  4339.56  5745.45  1862.40   96.381   37.882  114.859   20.733 -18.47728 43.18412 
1 1 1   46   24    7 o  200.551   11.812 16641.35  1915.03 25965.08  5820.67 15509.60  2027.93  239.165   30.681  193.204   13.003 45.96107 33.32251 
1 1 1   46   24    8 o  227.594   13.348 21559.06  2455.81 22560.36  6753.40 21406.47  2636.29  213.393   40.457  226.322   14.421 -12.92906 42.95053 
1 1 1   46   24    9 o  283.334   15.406 33723.40  3531.05 33910.87  8761.32 33687.04  3858.28  256.885   43.561  282.216   16.915 -25.33051 46.72955 
1 1 1   46   24   10 o  189.561   13.686 15065.24  2092.37 13820.64  6130.79 15229.32  2226.03  158.158   45.376  190.219   14.522 -32.06175 47.64288 
1 1 1   46   24   11 o   84.163   17.523  3121.06  1158.57  6264.99  5762.21  2988.61  1182.72  111.342   43.687   82.107   18.217 29.23475 47.33287 
1 1 1   46   24   12 o  162.781   14.305 11247.41  1871.59 19128.51  7122.78 10662.92  1939.75  177.684   48.164  157.966   15.316 19.71800 50.54027 
1 1 1   46   24   13 o   40.192   17.126  103.531  982.758 17536.05  6478.56 -307.0583  994.264  168.605   46.031   36.624   16.363 131.9807 48.85267 
1 1 1   46   24   14 o  111.508   17.683  5553.51  1547.60 17815.66  7756.38  5045.10  1579.35  150.581   52.096  105.371   19.166 45.21017 55.50969 
1 1 1   46   24   15 o   79.621   21.708  3058.40  1442.00   0.0000   0.0000  3058.40  1442.00  ?   ?    79.621   21.708 0.000000 21.70802 
1 1 1   46   24   16 o  102.634   18.927  4966.00  1519.17   0.0000   0.0000  4966.00  1519.17  ?   ?   102.634   18.927 0.000000 18.92679 
1 1 1   46   26    0 o   46.567   16.482  800.122  779.102   0.0000   0.0000  800.122  779.102  ?   ?    46.567   16.482 0.000000 16.48227 
1 1 1   46   26    1 o   73.555   20.127  2369.65  1236.95   0.0000   0.0000  2369.65  1236.95  ?   ?    73.555   20.127 0.000000 20.12681 
1 1 1   46   26    2 o   67.056   20.378  1931.50  1207.63   0.0000   0.0000  1931.50  1207.63  ?   ?    67.056   20.378 0.000000 20.37762 
1 1 1   46   26    3 o  157.781   9.6366 10251.69  1228.66   0.0000   0.0000 10251.69  1228.66  ?   ?   157.781   9.6366 0.000000 9.636636 
1 1 1   46   26    4 o  165.681   18.945 11750.94  2502.81   0.0000   0.0000 11750.94  2502.81  ?   ?   165.681   18.945 0.000000 18.94508 
1 1 1   46   26    5 o   74.256   22.906  2407.50  1518.73  7683.20  4684.81  1787.95  1605.43  123.996   40.474   67.128   23.671 56.86784 46.88756 
1 1 1   46   26    6 o   43.111   14.458  734.096  596.622  7191.12  4505.15  618.831  601.924  119.951   39.716   40.983   14.489 78.96788 42.27687 
1 1 1   46   26    7 o  303.580   14.105 38473.00  3476.84 52288.64  8951.54 36018.49  3773.07  332.265   33.644  292.228   15.962 40.03638 37.23808 
1 1 1   46   26    8 o  213.559   13.291 19083.16  2293.18 28406.46  7317.04 18067.67  2414.84  236.697   39.461  207.221   14.442 29.47618 42.02107 
1 1 1   46   26    9 o  209.736   16.991 18823.28  2868.67  6463.75  7916.15 20691.70  3077.87  114.862   48.765  219.688   17.397 -104.8256 51.77510 
1 1 1   46   26   10 o   38.908   16.150  214.424  838.628 -4017.5271  6327.70  290.087  846.091   76.521   36.516   39.955   16.365 36.56554 40.01553 
1 1 1   46   26   11 o  117.971   15.646  6022.97  1461.77 15437.72  7475.10  5648.63  1490.54  149.605   51.171  113.749   16.630 35.85583 53.80570 
1 1 1   46   26   12 o  155.159   15.148 10387.72  1884.09 20954.10  7324.62  9639.05  1949.70  176.998   49.194  148.657   16.427 28.34132 51.86417 
1 1 1   46   26   13 o  126.585   15.703  7035.25  1579.36   0.0000   0.0000  7035.25  1579.36  ?   ?   126.585   15.703 0.000000 15.70315 
1 1 1   46   26   14 f  212.110   16.065 19933.99  2746.36   0.0000   0.0000 19933.99  2746.36  ?   ?   212.110   16.065 0.000000 16.06544 
1 1 1   46   26   15 f   59.431   22.181  1592.83  1437.33   0.0000   0.0000  1592.83  1437.33  ?   ?    59.431   22.181 0.000000 22.18135 
1 1 1   46   28    0 o  165.907   18.508 11847.64  2450.72   0.0000   0.0000 11847.64  2450.72  ?   ?   165.907   18.508 0.000000 18.50783 
1 1 1   46   28    1 o   62.484   22.764  1476.62  1498.41   0.0000   0.0000  1476.62  1498.41  ?   ?    62.484   22.764 0.000000 22.76421 
1 1 1   46   28    2 o  216.932   20.919 20466.84  3639.05   0.0000   0.0000 20466.84  3639.05  ?   ?   216.932   20.919 0.000000 20.91910 
1 1 1   46   28    3 o  262.077   13.815 28745.23  2929.34   0.0000   0.0000 28745.23  2929.34  ?   ?   262.077   13.815 0.000000 13.81464 
1 1 1   46   28    4 o  248.358   13.107 25764.62  2633.88   0.0000   0.0000 25764.62  2633.88  ?   ?   248.358   13.107 0.000000 13.10748 
1 1 1   46   28    5 o  246.857   12.675 25433.50  2532.10   0.0000   0.0000 25433.50  2532.10  ?   ?   246.857   12.675 0.000000 12.67549 
1 1 1   46   28    6 o  105.133   12.079  4652.41  1012.38 11873.65  6185.15  4453.62  1026.21  142.568   46.504  102.683   12.571 39.88467 48.17315 
1 1 1   46   28    7 o   34.521   13.477  318.828  546.183  711.795  4695.74  313.439  549.916   80.988   35.909   34.506   13.508 46.48171 38.36607 
1 1 1   46   28    8 o   43.103   15.757  663.980  718.753 -4473.9009  6311.34  731.490  723.460   74.952   35.955   44.275   15.860 30.67663 39.29784 
1 1 1   46   28    9 o   26.433   12.293 -536.7197  638.214  7086.02  6521.37 -610.4329  641.292  110.557   45.376   25.907   12.138 84.64999 46.97168 
1 1 1   46   28   10 o  108.682   15.030  5129.91  1290.86  8281.10  6904.67  5015.78  1314.03  112.544   46.496  107.209   15.549 5.335129 49.02675 
1 1 1   46   28   11 o   81.464   19.454  3070.89  1269.08   0.0000   0.0000  3070.89  1269.08  ?   ?    81.464   19.454 0.000000 19.45407 
1 1 1   46   28   12 o   91.412   20.070  3932.77  1448.84   0.0000   0.0000  3932.77  1448.84  ?   ?    91.412   20.070 0.000000 20.06993 
1 1 1   46   28   13 o   71.524   20.890  2494.93  1289.08   0.0000   0.0000  2494.93  1289.08  ?   ?    71.524   20.890 0.000000 20.89024 
1 1 1   46   28   14 o  122.148   19.547  7179.95  1873.27   0.0000   0.0000  7179.95  1873.27  ?   ?   122.148   19.547 0.000000 19.54674 
1 1 1   46   30    0 o  149.215   21.149  9931.05  2490.63   0.0000   0.0000  9931.05  2490.63  ?   ?   149.215   21.149 0.000000 21.14881 
1 1 1   46   30    1 o  375.453   26.504 64868.59  8028.05   0.0000   0.0000 64868.59  8028.05  ?   ?   375.453   26.504 0.000000 26.50423 
1 1 1   46   30    2 o   64.062   23.976  1555.86  1681.65   0.0000   0.0000  1555.86  1681.65  ?   ?    64.062   23.976 0.000000 23.97626 
1 1 1   46   30    3 f  113.401   26.042  6076.54  2347.30   0.0000   0.0000  6076.54  2347.30  ?   ?   113.401   26.042 0.000000 26.04176 
1 1 1   46   30    4 o  110.656   10.103  5109.98  897.700   0.0000   0.0000  5109.98  897.700  ?   ?   110.656   10.103 0.000000 10.10265 
1 1 1   46   30    5 o   79.381   11.462  2676.20  717.385   0.0000   0.0000  2676.20  717.385  ?   ?    79.381   11.462 0.000000 11.46217 
1 1 1   46   30    6 o   85.553   12.411  3127.16  837.003  3558.80  6425.44  3119.71  844.196   96.139   42.347   85.405   12.548 10.73493 44.16645 
1 1 1   46   30    7 o   57.212   15.836  1450.95  760.636  5451.01  6289.24  1391.58  766.260  101.527   43.294   56.105   16.024 45.42208 46.16400 
1 1 1   46   30    8 o   78.153   15.726  2713.78  963.388 11070.71  8208.99  2597.08  970.091  118.983   50.038   76.247   16.171 42.73563 52.58592 
1 1 1   46   30    9 o   95.198   16.446  4044.70  1225.26   0.0000   0.0000  4044.70  1225.26  ?   ?    95.198   16.446 0.000000 16.44594 
1 1 1   46   30   10 o  110.646   16.056  5458.58  1400.37   0.0000   0.0000  5458.58  1400.37  ?   ?   110.646   16.056 0.000000 16.05612 
1 1 1   46   30   11 o  104.952   19.117  5169.06  1569.07   0.0000   0.0000  5169.06  1569.07  ?   ?   104.952   19.117 0.000000 19.11684 
1 1 1   46   30   12 o  ?   ?  -3867.5090  914.906   0.0000   0.0000 -3867.5090  914.906  ?   ?   ?   ?  0.000000      ? 
1 1 1   46   30   13 o  117.842   25.627  7635.21  2382.28   0.0000   0.0000  7635.21  2382.28  ?   ?   117.842   25.627 0.000000 25.62740 
1 1 1   46   32    0 o   62.679   24.126  1484.68  1731.29   0.0000   0.0000  1484.68  1731.29  ?   ?    62.679   24.126 0.000000 24.12567 
1 1 1   46   32    1 o  101.794   28.985  5251.93  2510.98   0.0000   0.0000  5251.93  2510.98  ?   ?   101.794   28.985 0.000000 28.98500 
1 1 1   46   32    2 o  142.637   28.249 10056.39  3155.95   0.0000   0.0000 10056.39  3155.95  ?   ?   142.637   28.249 0.000000 28.24879 
1 1 1   46   32    3 o   70.018   27.479  1933.67  2280.13   0.0000   0.0000  1933.67  2280.13  ?   ?    70.018   27.479 0.000000 27.47853 
1 1 1   46   32    4 o   46.245   11.047  930.083  409.105   0.0000   0.0000  930.083  409.105  ?   ?    46.245   11.047 0.000000 11.04661 
1 1 1   46   32    5 o   78.539   10.838  2627.67  672.714   0.0000   0.0000  2627.67  672.714  ?   ?    78.539   10.838 0.000000 10.83756 
1 1 1   46   32    6 f   30.934   12.175  251.447  448.866   0.0000   0.0000  251.447  448.866  ?   ?    30.934   12.175 0.000000 12.17533 
1 1 1   46   32    7 o   55.294   15.695  1377.36  737.434   0.0000   0.0000  1377.36  737.434  ?   ?    55.294   15.695 0.000000 15.69493 
1 1 1   46   32    8 o   40.034   15.797  475.619  757.470   0.0000   0.0000  475.619  757.470  ?   ?    40.034   15.797 0.000000 15.79738 
1 1 1   46   32    9 o   68.263   18.613  2222.40  1060.06   0.0000   0.0000  2222.40  1060.06  ?   ?    68.263   18.613 0.000000 18.61284 
1 1 1   46   32   10 o   60.666   19.954  1777.52  1137.89   0.0000   0.0000  1777.52  1137.89  ?   ?    60.666   19.954 0.000000 19.95408 
1 1 1   46   32   11 o   43.850   18.803  361.366  1198.41   0.0000   0.0000  361.366  1198.41  ?   ?    43.850   18.803 0.000000 18.80348 
1 1 1   46   34    0 o  130.817   30.618  9319.84  3194.73   0.0000   0.0000  9319.84  3194.73  ?   ?   130.817   30.618 0.000000 30.61842 
1 1 1   46   34    1 o   62.904   26.279  1290.28  2240.92   0.0000   0.0000  1290.28  2240.92  ?   ?    62.904   26.279 0.000000 26.27859 
1 1 1   46   34    2 o  202.763   30.624 22018.04  4884.77   0.0000   0.0000 22018.04  4884.77  ?   ?   202.763   30.624 0.000000 30.62430 
1 1 1   46   34    3 o  217.831   29.834 25254.22  5138.12   0.0000   0.0000 25254.22  5138.12  ?   ?   217.831   29.834 0.000000 29.83398 
1 1 1   46   34    4 o   49.579   11.097  1079.90  435.581   0.0000   0.0000  1079.90  435.581  ?   ?    49.579   11.097 0.000000 11.09701 
1 1 1   46   34    5 o   95.406   11.181  3916.41  849.715   0.0000   0.0000  3916.41  849.715  ?   ?    95.406   11.181 0.000000 11.18080 
1 1 1   46   34    6 o   12.421   6.2004 -669.4819  255.125   0.0000   0.0000 -669.4819  255.125  ?   ?    12.421   6.2004 0.000000 6.200416 
1 1 1   46   34    7 o   25.990   11.474 -91.8357  474.319   0.0000   0.0000 -91.8357  474.319  ?   ?    25.990   11.474 0.000000 11.47369 
1 1 1   46   34    8 o   32.102   14.119 -51.6955  711.962   0.0000   0.0000 -51.6955  711.962  ?   ?    32.102   14.119 0.000000 14.11914 
1 1 1   46   34    9 o   28.363   13.124 -435.7438  713.729   0.0000   0.0000 -435.7438  713.729  ?   ?    28.363   13.124 0.000000 13.12351 
1 1 1   46   36    0 o   57.065   25.523  644.365  2426.01   0.0000   0.0000  644.365  2426.01  ?   ?    57.065   25.523 0.000000 25.52327 
1 1 1   46   36    1 o   65.934   28.893  1832.90  2957.42   0.0000   0.0000  1832.90  2957.42  ?   ?    65.934   28.893 0.000000 28.89313 
1 1 1   46   36    2 o   78.487   31.989  4001.02  3212.88   0.0000   0.0000  4001.02  3212.88  ?   ?    78.487   31.989 0.000000 31.98944 
1 1 1   46   36    3 o   63.268   28.951  1091.55  3340.46   0.0000   0.0000  1091.55  3340.46  ?   ?    63.268   28.951 0.000000 28.95125 
1 1 1   46   36    4 o   65.832   10.621  1901.71  548.394   0.0000   0.0000  1901.71  548.394  ?   ?    65.832   10.621 0.000000 10.62074 
1 1 1   46   36    5 o   94.101   11.466  3900.81  857.991   0.0000   0.0000  3900.81  857.991  ?   ?    94.101   11.466 0.000000 11.46628 
1 1 1   46   36    6 o   22.135   9.7885 -74.0270  346.670   0.0000   0.0000 -74.0270  346.670  ?   ?    22.135   9.7885 0.000000 9.788548 
1 1 1   47    1    0 o  460.215   23.615 86915.13  8794.81 83917.50 12434.14 89916.23 12441.35  449.513   34.327  465.744   33.115 -16.23160 47.69592 
1 1 1   47    1    1 o  524.116   26.187 112690.10 11144.10 103759.20 15744.49 121656.70 15775.84  498.289   39.232  540.914   36.127 -42.62485 53.33171 
1 1 1   47    1    2 o  1321.71   67.482 762623.38 72179.49 747249.19 102051.50 778013.12 102102.90  1255.61  100.951  1285.52   98.569 -29.90723 141.0925 
1 1 1   47    1    3 o  668.631   23.424 183181.00 12717.04 178615.20 17967.16 187764.59 18002.11  656.166   33.838  673.948   32.897 -17.78241 47.19379 
1 1 1   47    1    4 o  894.661   32.641 330979.19 23711.45 326288.59 33520.70 335676.59 33545.42  878.535   47.164  891.607   46.497 -13.07257 66.22998 
1 1 1   47    1    5 o  402.391   15.027 66004.73  4909.83 66596.76  6935.82 65410.05  6951.32  402.821   21.281  399.156   21.528 3.665527 30.27071 
1 1 1   47    1    6 o  322.765   14.395 42461.33  3772.62 45389.48  6356.08 40868.67  4687.65  331.766   23.752  315.741   18.364 16.02460 30.02329 
1 1 1   47    1    7 o  150.131   8.8705  9197.12  1076.52  8904.10  1354.29  9700.07  1774.26  147.462   11.399  153.583   14.396 -6.120377 18.36249 
1 1 1   47    1    8 o  394.689   13.866 63512.24  4443.73 63174.30  6284.40 63850.17  6284.37  392.292   19.793  394.905   19.599 -2.613586 27.85485 
1 1 1   47    1    9 o  372.056   13.425 56443.62  4055.76 58642.95  5738.52 54248.60  5732.89  378.468   18.674  363.367   19.502 15.10098 27.00074 
1 1 1   47    1   10 o  290.320   13.454 34384.45  3171.40 35230.26  3820.26 32509.30  5688.21  293.129   16.113  279.495   25.340 13.63321 30.02905 
1 1 1   47    1   11 o  395.364   17.225 64032.29  5529.51 62543.80  9830.83 64721.13  6687.68  385.483   31.689  396.133   20.866 -10.64987 37.94162 
1 1 1   47    1   12 o  260.236   10.889 27615.33  2300.88 27971.66  3267.04 27264.66  3240.98  260.878   15.493  257.532   15.572 3.345764 21.96651 
1 1 1   47    1   13 f  285.070   11.776 33220.00  2725.73 32497.00  3867.42 33933.61  3842.23  280.400   17.068  286.695   16.576 -6.294891 23.79237 
1 1 1   47    1   14 o   26.154   11.307 -54.1494  440.146   95.717  619.071 -207.3448  625.907   33.165   13.830   29.632   13.126 3.533258 19.06705 
1 1 1   47    1   15 o  153.203   9.7430  9642.86  1205.69 10310.54  1712.44  8986.50  1697.85  157.603   13.512  146.829   14.428 10.77464 19.76715 
1 1 1   47    1   16 o  114.427   10.067  5410.67  925.828  5373.40  1311.72  5447.66  1306.93  112.940   14.649  113.778   14.474 -0.8376923 20.59367 
1 1 1   47    1   17 o   52.426   15.561  1167.22  710.346  2057.90  1018.34  323.094  991.367   68.604   18.041   43.304   17.723 25.29952 25.29012 
1 1 1   47    1   18 o  104.575   11.396  4575.20  952.014  6011.68  1388.56  3300.99  1307.77  118.994   14.683   86.324   19.158 32.67047 24.13759 
1 1 1   47    1   19 o   35.033   14.571  153.117  684.605   75.495  1038.26  212.824  910.605   41.131   17.566   40.245   16.777 0.8862000 24.29062 
1 1 1   47    1   20 o  149.478   10.913  9369.01  1315.38  9475.75  1851.62  9260.25  1868.97  147.909   15.656  145.986   16.031 1.923721 22.40745 
1 1 1   47    1   21 o   52.560   17.010  1215.09  828.302  1596.73  1222.97  891.673  1125.84   59.910   20.689   50.269   19.425 9.640236 28.37890 
1 1 1   47    1   22 o   38.837   15.550  428.418  744.182  546.571  1012.93  289.852  1096.95   44.085   17.964   42.551   18.111 1.534126 25.50933 
1 1 1   47    3    0 o  450.374   33.079 84166.27 12012.14 84166.27 12012.14   0.0000   0.0000  450.374   33.079  ?   ?  0.000000 33.07947 
1 1 1   47    3    1 o  589.310   42.303 145692.20 20107.09 145692.20 20107.09   0.0000   0.0000  589.310   42.303  ?   ?  0.000000 42.30252 
1 1 1   47    3    2 o  1076.14   53.464 492457.00 46716.55 487191.50 65968.30 497754.19 66166.51  1041.31   78.601  1053.46   77.907 -12.15173 110.6689 
1 1 1   47    3    3 o  786.532   31.993 255577.50 20432.01 264451.31 35103.90 251031.09 25126.76  784.952   55.434  774.754   40.080 10.19818 68.40530 
1 1 1   47    3    4 o  559.053   22.700 128041.40 10304.07 126954.10 17580.40 128610.40 12717.46  550.320   39.609  558.264   28.146 -7.944153 48.59071 
1 1 1   47    3    5 o  257.623   10.696 27001.65  2237.36 26899.74  3140.72 27106.65  3188.02  256.423   15.152  257.388   15.324 -0.9653931 21.54984 
1 1 1   47    3    6 o  230.725   10.310 21656.64  1931.48 22455.23  2721.11 20845.71  2742.06  234.277   14.374  225.605   15.055 8.671799 20.81538 
1 1 1   47    3    7 o  137.798   7.6700  7742.28  854.779  7574.81  1199.11  7915.31  1218.81  135.988   10.953  139.037   10.883 -3.049332 15.44018 
1 1 1   47    3    8 o  425.853   15.801 74038.84  5463.76 75180.88  7728.22 72897.59  7725.63  427.370   22.349  420.721   22.699 6.648926 31.85457 
1 1 1   47    3    9 o  455.599   19.946 85096.01  7378.51 87012.84  8991.74 81144.40 12910.34  459.040   24.210  438.523   36.592 20.51663 43.87630 
1 1 1   47    3   10 o  324.411   12.665 42913.43  3336.02 45510.71  4741.69 40367.72  4694.37  332.956   17.602  313.331   18.534 19.62503 25.56031 
1 1 1   47    3   11 o  196.533   9.2246 15722.72  1472.05 16140.06  2108.23 15325.68  2056.32  198.425   13.160  193.329   13.178 5.095612 18.62381 
1 1 1   47    3   12 o  447.589   16.228 82153.40  5897.82 84184.20  8382.56 80162.63  8299.60  450.274   23.005  439.210   23.357 11.06424 32.78325 
1 1 1   47    3   13 o  293.203   12.051 35163.40  2868.94 36120.82  4087.47 34233.73  4027.79  295.582   17.104  287.664   17.325 7.918030 24.34548 
1 1 1   47    3   14 o  203.986   9.9589 17008.68  1649.49 16568.51  2364.80 17425.77  2301.93  200.025   14.662  205.364   13.886 -5.338638 20.19458 
1 1 1   47    3   15 o  107.255   10.025  4750.62  862.947  5133.83  1226.98  4375.54  1213.90  110.699   13.961  101.773   15.152 8.926056 20.60320 
1 1 1   47    3   16 o  174.272   9.9077 12494.37  1396.18 12699.16  1988.92 12295.42  1960.38  174.520   14.158  171.697   14.189 2.823792 20.04411 
1 1 1   47    3   17 o   23.526   11.203 -747.0464  588.874 -1630.9470  817.294  207.236  849.210   24.390   11.976   39.341   16.284 -14.95102 20.21333 
1 1 1   47    3   18 o   41.744   15.463  587.382  695.931  822.148  939.439  301.861  1036.03   48.612   17.974   43.631   18.017 4.980652 25.44944 
1 1 1   47    3   19 o   78.797   14.393  2690.41  886.925  3217.19  1214.35  2088.11  1298.48   85.028   18.142   68.501   21.188 16.52644 27.89362 
1 1 1   47    3   20 o   70.522   15.105  2200.49  838.893  1858.22  1072.30  2740.45  1346.84   64.168   19.135   76.846   20.991 -12.67786 28.40406 
1 1 1   47    3   21 o   28.736   13.193 -430.9935  701.573 -1424.2209  968.024  667.925  1018.23   28.341   13.716   46.310   18.302 -17.96853 22.87176 
1 1 1   47    3   22 o   54.815   17.364  1394.14  866.698  1717.91  1186.15  1023.27  1269.49   60.052   20.385   51.922   20.463 8.130550 28.88371 
1 1 1   47    5    0 o  227.962   12.122 21209.05  2235.67 18725.85  2906.78 24805.43  3498.15  213.597   16.898  245.919   17.636 -32.32271 24.42492 
1 1 1   47    5    2 o  415.174   21.783 70747.86  7317.55 70747.86  7317.55   0.0000   0.0000  415.174   21.783  ?   ?  0.000000 21.78290 
1 1 1   47    5    3 o  681.545   28.891 191379.70 15987.89 188392.80 19481.35 197541.30 27980.56  672.696   35.795  680.331   51.024 -7.634399 62.32767 
1 1 1   47    5    4 o  196.583   13.558 15816.08  2150.95 19746.93  2808.36 10238.03  3345.43  219.476   15.866  155.514   27.500 63.96178 31.74846 
1 1 1   47    5    5 o  290.898   14.188 34486.61  3351.16 46424.97  5565.73 27697.15  4197.27  336.210   20.486  259.440   20.081 76.76926 28.68642 
1 1 1   47    5    6 o  575.878   24.003 136196.59 11223.72 149243.70 19205.33 129429.50 13831.49  595.628   39.942  558.603   30.611 37.02478 50.32328 
1 1 1   47    5    7 o  431.668   18.317 76195.66  6420.01 84460.32 10913.16 71821.78  7939.11  450.837   29.983  417.489   23.516 33.34729 38.10486 
1 1 1   47    5    8 o  130.422   11.680  6982.71  1223.77  6982.71  1223.77   0.0000   0.0000  130.422   11.680  ?   ?  0.000000 11.67979 
1 1 1   47    5    9 o  318.339   12.518 41306.72  3235.72 43365.94  4600.58 39290.95  4551.80  325.102   17.493  309.266   18.207 15.83597 25.24835 
1 1 1   47    5   10 o   93.067   8.3455  3551.49  623.944  3517.56  885.225  3584.98  879.583   92.106   12.132   93.033   11.918 -0.9267044 17.00646 
1 1 1   47    5   11 o  159.285   8.6263 10355.56  1111.51 10506.90  1581.28 10207.76  1562.71  160.018   12.264  157.706   12.301 2.311951 17.36989 
1 1 1   47    5   12 o  106.037   11.544  4643.04  977.851  2803.24  2101.50  5151.47  1104.73   83.107   27.107  111.620   12.399 -28.51347 29.80788 
1 1 1   47    5   13 f  107.897   9.1314  4781.73  792.486  3918.41  1122.88  5638.54  1118.63   96.588   14.788  116.790   11.965 -20.20287 19.02258 
1 1 1   47    5   14 o  180.795   9.5186 13394.24  1392.41 14756.66  1998.19 12108.20  1941.37  189.037   13.099  170.903   14.116 18.13376 19.25766 
1 1 1   47    5   15 o  138.865   9.2723  7923.22  1039.47  8344.95  1483.40  7516.35  1457.02  141.726   13.037  134.322   13.544 7.403976 18.79885 
1 1 1   47    5   16 o  196.665   10.339 15924.87  1645.20 16784.59  2366.84 15121.14  2288.47  200.538   14.637  190.181   14.940 10.35751 20.91500 
1 1 1   47    5   17 o  133.507   9.8881  7365.74  1064.28  6779.52  1510.46  7943.75  1499.84  126.607   14.984  137.633   13.599 -11.02596 20.23455 
1 1 1   47    5   18 o   35.639   14.423  248.166  647.774  283.135  818.139  189.412  1060.49   39.503   16.126   42.838   17.998 -3.335045 24.16613 
1 1 1   47    5   19 o  121.699   11.063  6201.92  1081.27  7189.03  1475.35  5056.47  1589.29  129.870   14.224  106.620   19.058 23.25066 23.78023 
1 1 1   47    5   20 o   36.161   14.772  253.220  687.119  345.848  926.635  140.075  1024.13   41.647   17.100   41.089   17.495 0.5572891 24.46386 
1 1 1   47    5   21 o   60.603   15.876  1673.06  790.592  1425.21  1039.70  2012.84  1217.33   56.559   19.085   65.383   20.563 -8.823738 28.05525 
1 1 1   47    7    0 o  517.476   38.008 112139.30 15858.28   0.0000   0.0000 112139.30 15858.28  ?   ?   517.476   38.008 0.000000 38.00819 
1 1 1   47    7    1 o  202.851   19.012 16960.56  3094.87   0.0000   0.0000 16960.56  3094.87  ?   ?   202.851   19.012 0.000000 19.01177 
1 1 1   47    7    2 f  881.691   43.608 326631.41 31218.94 337325.91 44348.82 316126.19 43954.31  878.723   62.566  848.936   64.242 29.78699 89.67420 
1 1 1   47    7    3 o  278.962   14.094 31790.91  3182.14 34472.84  3878.90 26270.98  5564.82  290.192   16.530  251.117   27.756 39.07544 32.30571 
1 1 1   47    7    4 o  456.446   20.438 85263.39  7574.71 90624.97  9200.89 73986.74 13343.61  469.217   24.233  418.887   39.706 50.32968 46.51660 
1 1 1   47    7    5 o  330.549   15.266 44566.09  4097.19 46685.81  4977.38 40111.11  7215.81  337.502   18.231  310.444   28.961 27.05817 34.22083 
1 1 1   47    7    6 o  413.238   17.304 69768.13  5806.00 70476.55  7082.15 68316.16 10139.06  414.166   21.130  404.970   31.071 9.196259 37.57534 
1 1 1   47    7    7 o  482.190   26.030 96111.10 10153.69 111319.00 14149.76 79966.94 14578.81  515.893   33.969  433.464   41.947 82.42932 53.97626 
1 1 1   47    7    8 o  313.592   14.089 40119.33  3587.38 45808.64  6014.17 36977.09  4469.58  333.142   22.363  299.991   18.439 33.15067 28.98439 
1 1 1   47    7    9 o  189.459   11.880 14684.80  1818.34 15399.11  2461.95 13827.49  2697.15  193.476   15.810  182.819   18.421 10.65683 24.27485 
1 1 1   47    7   10 o  252.438   10.324 25953.85  2116.18 25060.92  3011.20 26825.20  2974.59  247.163   15.076  255.863   14.376 -8.699753 20.83210 
1 1 1   47    7   11 o  384.082   14.253 60320.60  4445.02 59997.08  6327.82 60635.75  6245.41  381.066   20.527  383.218   20.142 -2.151886 28.75842 
1 1 1   47    7   12 o   69.198   12.706  2018.97  687.584   61.982  1819.33  2345.07  742.665   54.812   23.327   74.713   12.697 -19.90065 26.55847 
1 1 1   47    7   13 o  311.324   12.073 39700.78  3051.92 40622.94  4365.15 38818.96  4268.60  313.033   17.240  305.980   17.252 7.053528 24.38952 
1 1 1   47    7   14 o  115.729   9.1079  5505.98  848.935  5578.91  1182.83  5428.51  1219.15  115.806   12.793  114.080   13.418 1.726151 18.53907 
1 1 1   47    7   15 o  171.715   9.6439 12113.40  1339.18 12534.86  1898.64 11696.12  1889.18  173.704   13.569  167.630   14.008 6.073868 19.50263 
1 1 1   47    7   16 o  156.580   9.7048 10097.11  1227.77 10157.30  1742.46 10037.76  1730.25  155.896   13.912  154.973   13.898 0.9230499 19.66437 
1 1 1   47    7   17 o  165.813   10.122 11357.19  1356.29 12221.26  1917.36 10491.82  1918.81  170.743   13.952  157.660   15.177 13.08325 20.61515 
1 1 1   47    7   18 o   60.632   13.929  1598.34  671.339  1806.28  888.058  1321.03  1025.55   64.060   16.848   56.560   18.956 7.500118 25.36093 
1 1 1   47    7   19 o   75.997   13.354  2493.80  793.946  3388.15  1011.54  1058.83  1281.30   88.427   14.598   54.910   20.845 33.51635 25.44855 
1 1 1   47    7   20 o   55.574   15.920  1375.45  755.185  466.977  928.520  3150.74  1297.98   43.008   17.316   82.500   19.656 -39.49257 26.19589 
1 1 1   47    7   21 o   95.103   11.710  3898.06  885.179  2865.16  1107.38  5725.99  1473.15   78.443   17.795  112.547   16.620 -34.10393 24.34941 
1 1 1   47    9    0 o  138.452   16.973  7941.50  1868.10   0.0000   0.0000  7941.50  1868.10  ?   ?   138.452   16.973 0.000000 16.97283 
1 1 1   47    9    1 o  238.807   21.049 23529.11  4039.81   0.0000   0.0000 23529.11  4039.81  ?   ?   238.807   21.049 0.000000 21.04945 
1 1 1   47    9    2 o  481.316   24.300 95376.16  9465.93 108866.40 13590.65 82665.88 13191.94  511.438   32.902  443.925   36.934 67.51242 49.46328 
1 1 1   47    9    3 o  305.149   17.115 38142.43  4223.44 43249.88  6165.18 33626.06  5797.47  323.758   23.615  284.893   25.326 38.86511 34.62804 
1 1 1   47    9    4 o  249.536   13.519 25448.75  2729.01 28842.63  3304.41 18168.06  4839.85  265.452   15.397  207.728   29.525 57.72433 33.29904 
1 1 1   47    9    5 o  573.808   23.640 135281.30 11014.17 140577.70 13445.95 124479.20 19202.21  583.403   28.385  540.941   44.102 42.46136 52.44701 
1 1 1   47    9    6 o  543.119   19.217 120764.00  8474.53 132244.41 11972.20 109235.10 11997.43  566.378   26.033  513.078   28.916 53.29987 38.90858 
1 1 1   47    9    7 o  413.157   17.806 69836.93  5973.24 72622.70  7319.06 64280.75 10336.45  420.041   21.532  391.535   32.816 28.50623 39.24961 
1 1 1   47    9    8 o   70.641   8.7176  2060.62  489.417  2360.86  587.683  1381.18  884.078   75.532   9.8143   57.855   17.403 17.67717 19.97943 
1 1 1   47    9    9 o   51.857   12.205  1140.48  505.342  1140.48  505.342   0.0000   0.0000   51.857   12.205  ?   ?  0.000000 12.20471 
1 1 1   47    9   10 o  304.964   13.454 37981.98  3331.42 38372.52  5529.75 37759.46  4173.91  304.116   22.555  303.067   17.031 1.048340 28.26215 
1 1 1   47    9   11 o  391.525   16.627 62921.80  5285.83 64854.36  8910.84 61872.58  6565.75  392.604   28.139  386.452   21.003 6.152039 35.11354 
1 1 1   47    9   12 o  191.231   9.6287 14956.54  1490.30 16949.81  2134.61 13061.04  2081.60  203.015   13.018  177.798   14.546 25.21640 19.52083 
1 1 1   47    9   13 o   85.666   9.2222  3030.97  631.366  3112.39  865.592  2938.41  922.938   86.174   12.756   83.394   14.135 2.780350 19.03995 
1 1 1   47    9   14 o  134.741   8.9222  7452.73  970.617  7574.68  1358.21  7325.45  1387.58  135.135   12.521  132.755   13.041 2.380569 18.07851 
1 1 1   47    9   15 o  347.958   14.629 50228.41  4133.02 53343.70  5925.65 47277.19  5767.50  354.297   20.688  332.924   21.450 21.37305 29.80087 
1 1 1   47    9   16 o  160.982   9.7696 10680.54  1270.96 11769.64  1826.28  9657.68  1769.87  167.911   13.510  151.657   14.551 16.25371 19.85579 
1 1 1   47    9   17 f  176.838   10.171 12926.97  1454.29 13402.77  2037.29 12432.62  2076.62  178.601   14.165  171.602   15.056 6.999344 20.67173 
1 1 1   47    9   18 o   77.864   11.945  2576.89  731.085  2361.10  942.505  2902.86  1158.39   73.244   16.271   80.807   18.104 -7.562866 24.34134 
1 1 1   47    9   19 o   25.046   11.566 -413.5221  550.262   52.313  650.833 -1581.2010  1030.42   32.850   13.965   29.164   14.124 3.685318 19.86229 
1 1 1   47    9   20 o   79.667   13.155  2765.54  821.240  3441.21  1004.41  1402.80  1426.42   88.475   14.483   58.952   22.078 29.52247 26.40466 
1 1 1   47    9   21 o  120.326   11.512  6224.29  1111.05  5882.64  1457.91  6697.58  1715.96  113.967   16.212  120.225   18.143 -6.258148 24.33075 
1 1 1   47   11    3 o  806.955   40.791 274583.41 26640.53 275198.81 37895.43 273982.09 37459.15  791.692   59.384  790.535   58.778 1.157715 83.55418 
1 1 1   47   11    4 o  628.688   31.629 164466.09 16094.07 172469.30 22984.60 156767.50 22542.75  636.197   44.780  605.496   46.201 30.70093 64.34097 
1 1 1   47   11    5 o  538.236   22.093 118965.90  9655.48 124685.20 17059.79 116270.30 11711.86  543.320   38.928  529.849   27.316 13.47113 47.55612 
1 1 1   47   11    6 o  176.163   10.385 12676.59  1478.88 17217.15  2937.21 11134.60  1711.67  204.358   17.881  164.769   12.897 39.58864 22.04703 
1 1 1   47   11    7 o  203.921   9.2952 16921.16  1539.07 18626.90  2147.43 15119.57  2206.95  213.399   12.447  191.941   14.263 21.45815 18.93041 
1 1 1   47   11    8 o  112.035   7.7694  5129.11  702.408  6011.87  939.374  4009.62  1057.86  121.148   9.6290   98.193   13.636 22.95406 16.69314 
1 1 1   47   11    9 o  213.431   11.208 18618.44  1935.55 18618.44  1935.55   0.0000   0.0000  213.431   11.208  ?   ?  0.000000 11.20808 
1 1 1   47   11   10 o  267.004   10.958 29073.71  2375.70 26615.45  2917.74 33909.19  4092.16  254.698   14.165  286.804   17.658 -32.10568 22.63722 
1 1 1   47   11   11 o  109.872   9.5777  4959.30  845.904  4773.61  1010.98  5392.77  1544.64  107.449   11.781  113.192   17.360 -5.743301 20.98034 
1 1 1   47   11   12 o  141.992   9.2033  8262.71  1055.35  9784.34  1536.13  6902.50  1452.37  154.020   12.388  128.849   14.113 25.17128 18.77879 
1 1 1   47   11   13 o  110.959   8.8566  5060.84  791.288  5411.73  1099.36  4683.65  1139.83  114.192   12.038  105.812   13.580 8.379730 18.14772 
1 1 1   47   11   14 o  178.124   8.8369 12976.03  1278.09 12427.02  1800.24 13533.96  1814.82  173.145   12.898  180.858   12.434 -7.712967 17.91496 
1 1 1   47   11   15 f  236.416   10.699 22981.66  2053.74 23594.18  2946.22 22402.71  2864.36  237.505   15.360  231.419   15.330 6.085602 21.70135 
1 1 1   47   11   16 o  159.867   9.4734 10534.35  1224.22 10843.96  1695.53 10197.15  1769.46  161.130   13.072  155.851   14.137 5.278961 19.25430 
1 1 1   47   11   17 o   30.661   12.219  208.417  457.359  240.624  532.484  117.822  893.075   32.985   13.172   38.999   16.458 -6.013508 21.08026 
1 1 1   47   11   18 o   52.128   13.331  1183.85  566.475  1082.66  661.029  1463.60  1099.13   50.169   15.039   58.806   19.624 -8.636375 24.72396 
1 1 1   47   11   19 o   87.281   10.318  3213.99  717.055  3820.19  854.243  1768.06  1319.31   94.916   11.307   63.392   21.499 31.52401 24.29054 
1 1 1   47   11   20 o  131.510   10.657  7320.51  1128.16  8160.59  1443.05  5999.95  1809.26  137.515   13.081  113.049   20.464 24.46587 24.28763 
1 1 1   47   11   21 o   35.651   14.073  373.953  601.372  234.390  668.910  962.263  1373.36   34.873   14.445   52.143   21.037 -17.26935 25.51858 
1 1 1   47   13    0 o  500.053   37.666 105459.40 15181.18   0.0000   0.0000 105459.40 15181.18  ?   ?   500.053   37.666 0.000000 37.66626 
1 1 1   47   13    1 o  998.385   78.305 464846.81 62969.06   0.0000   0.0000 464846.81 62969.06  ?   ?   998.385   78.305 0.000000 78.30462 
1 1 1   47   13    2 o  414.470   31.815 71809.36 10625.08   0.0000   0.0000 71809.36 10625.08  ?   ?   414.470   31.815 0.000000 31.81470 
1 1 1   47   13    3 o  438.365   23.665 79298.05  8392.04 77236.95 12115.94 81198.75 11634.95  428.481   35.134  440.383   32.773 -11.90137 48.04635 
1 1 1   47   13    4 o  226.241   15.276 20995.49  2789.80 21402.45  4206.92 20676.05  3727.24  226.950   23.154  223.533   20.773 3.416245 31.10663 
1 1 1   47   13    5 o  504.884   20.126 104588.80  8250.59 119624.50 14745.92 97736.55  9954.63  533.690   34.209  485.955   25.316 47.73492 42.55750 
1 1 1   47   13    6 o   84.009   10.473  2918.14  698.847  3069.40  1701.69  2887.45  766.465   85.060   23.737   83.381   11.638 1.678764 26.43618 
1 1 1   47   13    7 o  518.040   20.209 110269.70  8500.35 134715.00 15265.42 99283.59 10233.72  565.896   33.370  489.056   25.863 76.83966 42.21948 
1 1 1   47   13    8 o  514.502   20.570 108942.10  8593.44 122376.60 15488.74 102967.60 10329.01  536.996   35.727  497.717   25.646 39.27863 43.97844 
1 1 1   47   13    9 o  202.750   10.815 16808.73  1773.96 20363.44  2504.74 13231.10  2512.80  222.732   13.920  178.676   17.547 44.05591 22.39722 
1 1 1   47   13   10 o  198.851   10.422 16176.84  1676.85 17562.96  2352.78 14745.91  2390.52  206.581   14.111  188.882   15.730 17.69989 21.13189 
1 1 1   47   13   11 o  144.086   7.6402  8481.28  890.661  7461.38  1193.67  9762.30  1337.78  134.643   11.015  154.172   10.754 -19.52859 15.39407 
1 1 1   47   13   12 o  229.046   10.876 21487.32  2022.75 21992.45  2484.19 20493.54  3484.39  230.851   13.309  220.711   19.649 10.14047 23.73197 
1 1 1   47   13   13 o  290.480   24.726 36350.18  5776.44   0.0000   0.0000 36350.18  5776.44  ?   ?   290.480   24.726 0.000000 24.72624 
1 1 1   47   13   14 o  125.764   8.9137  6506.79  904.335  7014.58  1233.58  5916.81  1329.67  129.978   11.818  118.711   14.068 11.26693 18.37323 
1 1 1   47   13   15 o   57.660   10.135  1405.68  457.165  1514.30  534.606  1110.13  881.893   59.628   11.458   52.552   17.578 7.076077 20.98295 
1 1 1   47   13   16 o   27.599   10.817  188.890  352.922  276.756  401.884 -107.2419  737.791   30.652   11.665   33.287   14.513 -2.635370 18.62008 
1 1 1   47   13   17 o   21.056   9.6189 -237.9850  366.730 -571.5783  401.184  1457.72  904.504   18.874   9.0571   57.992   17.638 -39.11739 19.82793 
1 1 1   47   13   18 o  106.617   9.0913  4730.23  779.514  4271.94  978.866  5524.66  1288.78  100.271   12.280  113.372   14.320 -13.10113 18.86367 
1 1 1   47   13   19 o  143.227   9.8822  8592.95  1142.23  8390.13  1469.46  8902.57  1815.62  139.921   13.086  142.384   15.980 -2.463623 20.65477 
1 1 1   47   13   20 o   56.323   13.408  1422.45  604.352  1499.84  671.718  1093.60  1384.58   57.558   14.407   54.292   21.379 3.266678 25.78000 
1 1 1   47   15    0 o  222.584   22.282 20577.01  3972.97   0.0000   0.0000 20577.01  3972.97  ?   ?   222.584   22.282 0.000000 22.28210 
1 1 1   47   15    1 o  529.238   40.066 119185.60 17089.68   0.0000   0.0000 119185.60 17089.68  ?   ?   529.238   40.066 0.000000 40.06595 
1 1 1   47   15    2 o  632.300   47.444 172960.59 24180.35   0.0000   0.0000 172960.59 24180.35  ?   ?   632.300   47.444 0.000000 47.44370 
1 1 1   47   15    3 o  690.783   35.838 201063.91 20032.33 196610.70 28636.14 205331.70 28033.46  668.692   53.181  685.795   50.703 -17.10291 73.47767 
1 1 1   47   15    4 o  635.101   32.725 169144.91 16818.11 171923.41 24095.14 166505.20 23485.37  629.417   47.497  619.771   47.019 9.646851 66.83373 
1 1 1   47   15    5 o  416.845   17.108 71156.63  5790.55 78581.65 10631.20 68024.69  6904.63  433.062   30.427  406.160   21.008 26.90231 36.97509 
1 1 1   47   15    6 o  171.993   10.577 12096.87  1469.93 12955.35  3181.69 11863.92  1657.41  175.809   22.827  170.135   12.076 5.673752 25.82460 
1 1 1   47   15    7 o  135.062   10.473  7477.72  1139.51  5836.56  2664.24  7845.16  1260.63  116.060   28.484  138.251   11.330 -22.19093 30.65445 
1 1 1   47   15    8 o  355.423   15.750 51779.70  4545.36 54088.43  8606.46 50886.64  5352.76  357.731   29.904  351.140   18.843 6.591034 35.34560 
1 1 1   47   15    9 o  167.634   14.884 11614.73  2004.84 15014.93  3380.52  9770.00  2489.98  188.853   22.488  152.308   20.668 36.54507 30.54291 
1 1 1   47   15   10 o   22.196   10.560 -665.6747  520.916 -4077.2729  1725.56 -323.5910  546.409   33.523   16.633   26.134   11.862 7.388872 20.42920 
1 1 1   47   15   11 o  139.882   11.409  8071.80  1284.54  4853.46  3131.47  8722.90  1408.50  104.935   32.977  145.321   12.045 -40.38689 35.10823 
1 1 1   47   15   12 f  144.319   11.995  8619.65  1392.85  8000.25  3948.83  8707.66  1488.52  130.771   36.035  144.873   12.785 -14.10173 38.23574 
1 1 1   47   15   13 o   74.942   9.1464  2332.93  545.012  3068.24  597.776 -1289.3051  1326.76   86.179   8.6600   37.116   17.411 49.06269 19.44584 
1 1 1   47   15   14 o  128.851   9.2282  6842.85  959.088  6459.31  1102.36  8037.37  1945.44  124.774   10.993  137.075   17.907 -12.30118 21.01219 
1 1 1   47   15   15 o   63.999   10.212  1727.06  512.824  1306.00  544.232  5062.42  1531.73   55.068   12.462  107.949   18.117 -52.88105 21.98952 
1 1 1   47   15   16 o  119.381   8.9063  5893.36  857.110  6063.25  1119.45  5652.66  1332.46  120.353   11.599  115.170   14.575 5.182205 18.62705 
1 1 1   47   15   17 o  102.157   8.8366  4333.87  725.760  3195.00  866.437  7012.03  1328.68   86.488   12.718  128.713   12.886 -42.22495 18.10520 
1 1 1   47   15   18 o   60.102   10.554  1548.11  496.267  1677.84  567.226  1124.69  1024.71   62.316   11.638   52.892   18.883 9.423561 22.18160 
1 1 1   47   15   19 o   81.605   9.5777  2818.50  622.558  2874.73  701.253  2609.29  1352.59   81.985   10.797   73.628   21.368 8.357445 23.94107 
1 1 1   47   15   20 o   35.659   11.633  534.778  387.007  557.883  406.383  309.668  1268.47   36.403   11.922   44.973   19.317 -8.570354 22.69995 
1 1 1   47   17    0 o   77.918   24.127  2504.10  1683.17   0.0000   0.0000  2504.10  1683.17  ?   ?    77.918   24.127 0.000000 24.12674 
1 1 1   47   17    1 o  170.626   20.865 12148.92  2830.48   0.0000   0.0000 12148.92  2830.48  ?   ?   170.626   20.865 0.000000 20.86508 
1 1 1   47   17    2 o  519.372   39.799 115478.80 16655.95   0.0000   0.0000 115478.80 16655.95  ?   ?   519.372   39.799 0.000000 39.79878 
1 1 1   47   17    3 o  402.314   22.887 67008.15  7445.54 65025.79 10894.67 68745.39 10198.90  391.472   34.632  404.150   31.324 -12.67850 46.69672 
1 1 1   47   17    4 o  265.826   13.030 28847.69  2812.47 28405.44  5582.81 28998.09  3255.79  260.189   26.810  265.839   15.146 -5.649658 30.79223 
1 1 1   47   17    5 o   84.150   9.7475  2922.60  653.684  2225.96  1855.18  3021.35  698.481   75.587   25.494   85.505   10.266 -9.917709 27.48347 
1 1 1   47   17    6 o  229.702   11.945 21592.90  2220.25 22744.61  4632.52 21249.46  2529.73  232.768   24.897  227.566   13.755 5.201752 28.44399 
1 1 1   47   17    7 o  190.089   11.204 14798.55  1721.64 15181.85  3702.68 14692.82  1944.63  189.482   24.650  189.167   12.735 0.3146057 27.74517 
1 1 1   47   17    8 o   98.621   10.746  4017.99  846.549  3403.59  2477.63  4099.19  900.759   90.604   29.427   99.526   11.349 -8.921806 31.53976 
1 1 1   47   17    9 o  155.654   16.074 10096.23  2002.32  8702.31  3478.89 10786.76  2448.56  139.658   31.437  160.093   19.221 -20.43498 36.84720 
1 1 1   47   17   10 o  184.078   11.920 13961.46  1772.08 14279.96  4545.88 13904.39  1924.31  178.283   32.604  183.444   13.003 -5.161026 35.10171 
1 1 1   47   17   11 o  229.663   12.713 21786.79  2361.55 30052.32  5645.11 20033.44  2599.98  262.630   26.850  219.572   14.668 43.05774 30.59498 
1 1 1   47   17   12 o  302.866   15.243 38220.85  3736.41 37176.79  7849.09 38526.76  4248.67  284.125   34.747  302.941   17.345 -18.81558 38.83543 
1 1 1   47   17   13 o  293.433   14.912 35964.46  3541.24 39667.05  7625.71 34946.47  3998.53  293.532   32.543  287.924   17.182 5.608459 36.80025 
1 1 1   47   17   14 o   90.637   16.141  3546.58  1144.36  1872.25  3725.10  3721.06  1202.51   82.577   34.136   92.753   16.575 -10.17594 37.94782 
1 1 1   47   17   15 o   86.675   23.044  3426.62  1649.74  935.834  4654.60  3784.48  1764.28   82.669   36.237   90.868   23.674 -8.198402 43.28482 
1 1 1   47   17   16 o  143.589   19.614  9112.23  2226.92  9510.93  5085.04  9017.62  2477.10  128.884   42.172  141.190   22.352 -12.30591 47.72927 
1 1 1   47   17   17 o  104.438   15.696  4768.57  1289.87   0.0000   0.0000  4768.57  1289.87  ?   ?   104.438   15.696 0.000000 15.69613 
1 1 1   47   17   18 o   19.375   8.6745 -115.6477  280.973 -251.3528  292.188  1551.15  1024.01   17.923   8.3291   58.721   18.903 -40.79762 20.65696 
1 1 1   47   17   19 o   57.084   10.922  1424.10  487.791  1479.37  522.528  1049.39  1360.57   58.009   11.500   53.405   21.141 4.603706 24.06627 
1 1 1   47   19    0 o  248.816   16.012 25470.26  3217.76   0.0000   0.0000 25470.26  3217.76  ?   ?   248.816   16.012 0.000000 16.01217 
1 1 1   47   19    1 o  255.195   13.747 26696.13  2838.00   0.0000   0.0000 26696.13  2838.00  ?   ?   255.195   13.747 0.000000 13.74696 
1 1 1   47   19    2 o  176.254   12.364 12744.04  1758.30   0.0000   0.0000 12744.04  1758.30  ?   ?   176.254   12.364 0.000000 12.36443 
1 1 1   47   19    3 o  152.612   9.3984  9522.85  1158.95   0.0000   0.0000  9522.85  1158.95  ?   ?   152.612   9.3984 0.000000 9.398411 
1 1 1   47   19    4 o  433.052   14.621 76788.90  5140.92 99852.22 11012.60 70362.39  5813.21  487.633   27.930  413.831   17.300 73.80252 32.85394 
1 1 1   47   19    5 o  280.287   12.228 32103.27  2782.92 37425.71  6287.57 30806.57  3103.46  298.108   26.243  273.943   13.999 24.16516 29.74379 
1 1 1   47   19    6 o  201.465   10.896 16622.84  1775.81 23494.26  4088.14 15024.75  1971.53  236.956   21.482  191.185   12.774 45.77116 24.99249 
1 1 1   47   19    7 o  385.236   16.508 61214.27  5163.83 64861.07  9944.80 59868.05  6042.24  387.218   31.915  379.244   19.690 7.973999 37.49956 
1 1 1   47   19    8 f  101.340   12.261  4272.47  988.360 11366.84  3530.24  3669.10  1029.53  161.008   28.021   93.440   14.001 67.56778 31.32425 
1 1 1   47   19    9 o  258.206   13.255 27526.08  2769.66 39048.82  6316.91 24783.77  3081.66  300.887   26.115  244.172   15.626 56.71535 30.43277 
1 1 1   47   19   10 o  139.929   11.932  8111.57  1342.77 12289.52  4249.05  7648.04  1415.30  163.472   33.146  135.584   13.016 27.88820 35.60999 
1 1 1   47   19   11 o  158.579   12.248 10431.34  1564.87 15087.06  4767.44  9869.15  1656.66  180.040   33.855  153.900   13.391 26.14066 36.40675 
1 1 1   47   19   12 f   59.953   17.020  1551.36  867.135  527.451  4105.43  1599.17  887.150   79.155   34.375   60.825   17.197 18.32982 38.43682 
1 1 1   47   19   13 o   90.984   15.775  3565.67  1123.13 10706.66  3961.74  2941.60  1171.18  148.944   33.563   81.807   18.110 67.13683 38.13723 
1 1 1   47   19   14 o  240.666   14.436 24378.75  2807.99 25712.09  7467.14 24159.15  3030.42  219.208   43.488  238.796   15.717 -19.58888 46.24108 
1 1 1   47   19   15 o   23.182   11.529 -2058.0630  848.657  7894.52  5064.10 -2345.6479  860.831  118.571   42.016   22.401   11.213 96.17002 43.48629 
1 1 1   47   19   16 o   64.745   19.697  1884.82  1127.84 19204.92  5975.94  1245.11  1148.47  183.302   41.159   55.753   19.982 127.5498 45.75293 
1 1 1   47   19   17 o   59.475   23.586  1247.40  1696.36  8866.45  6450.27  681.285  1758.26  110.249   45.175   55.194   23.182 55.05509 50.77575 
1 1 1   47   19   18 o   41.510   19.117 -681.9717  1488.68   0.0000   0.0000 -681.9717  1488.68  ?   ?    41.510   19.117 0.000000 19.11679 
1 1 1   47   21    0 o  312.186   18.966 40358.00  4784.91   0.0000   0.0000 40358.00  4784.91  ?   ?   312.186   18.966 0.000000 18.96638 
1 1 1   47   21    1 o  140.473   14.285  8167.62  1606.69   0.0000   0.0000  8167.62  1606.69  ?   ?   140.473   14.285 0.000000 14.28522 
1 1 1   47   21    2 o  185.617   10.257 14100.17  1539.86   0.0000   0.0000 14100.17  1539.86  ?   ?   185.617   10.257 0.000000 10.25682 
1 1 1   47   21    3 o  191.317   11.953 15024.37  1847.51   0.0000   0.0000 15024.37  1847.51  ?   ?   191.317   11.953 0.000000 11.95299 
1 1 1   47   21    4 o  178.431   10.887 13057.90  1569.78 12640.09  4035.39 13132.40  1703.99  169.967   30.354  178.783   11.805 -8.815796 32.56869 
1 1 1   47   21    5 o  105.988   9.9451  4628.31  845.851  6140.73  2779.32  4473.93  887.972  117.664   29.223  104.075   10.658 13.58908 31.10615 
1 1 1   47   21    6 o  408.363   16.424 69000.42  5445.81 81005.34 11847.26 65784.30  6132.05  428.028   34.379  397.469   19.000 30.55841 39.27979 
1 1 1   47   21    7 o   97.568   11.511  3958.53  894.372 11976.92  3673.56  3453.30  922.118  164.492   28.539   90.756   12.874 73.73643 31.30873 
1 1 1   47   21    8 o   55.941   20.094  1137.78  1162.01  412.754  3658.34  1219.13  1225.47   76.275   32.784   57.639   20.643 18.63592 38.74186 
1 1 1   47   21    9 o  270.455   14.387 30402.47  3147.98 30450.78  7066.23 30390.51  3516.19  257.056   34.745  269.599   16.137 -12.54373 38.30967 
1 1 1   47   21   10 o  126.117   12.975  6646.19  1309.75  8659.62  4673.85  6474.61  1364.42  132.227   40.068  124.244   13.756 7.982536 42.36354 
1 1 1   47   21   11 o   85.956   15.009  3167.69  1009.41  1459.06  4508.49  3257.86  1035.71   85.984   36.660   87.148   15.189 -1.164154 39.68223 
1 1 1   47   21   12 f  154.876   13.480 10062.09  1678.25 14742.20  5690.19  9616.19  1756.38  167.698   41.907  151.000   14.504 16.69826 44.34558 
1 1 1   47   21   13 o  106.991   14.603  4888.87  1235.44  2745.23  5691.02  4994.88  1265.62   95.070   40.877  108.090   14.810 -13.01981 43.47754 
1 1 1   47   21   14 o  126.873   14.623  6880.57  1478.83  3078.28  6390.74  7095.69  1520.09   96.540   42.385  128.784   14.806 -32.24406 44.89650 
1 1 1   47   21   15 o  104.811   17.330  4864.13  1423.33  7054.02  5678.26  4717.31  1470.27  108.940   43.168  102.716   18.300 6.224777 46.88704 
1 1 1   47   21   16 o   27.945   13.618 -1662.8280  999.071   0.0000   0.0000 -1662.8280  999.071  ?   ?    27.945   13.618 0.000000 13.61804 
1 1 1   47   21   17 o   61.129   20.560  1729.02  1206.57   0.0000   0.0000  1729.02  1206.57  ?   ?    61.129   20.560 0.000000 20.56035 
1 1 1   47   21   18 o   71.352   21.607  2586.14  1359.46   0.0000   0.0000  2586.14  1359.46  ?   ?    71.352   21.607 0.000000 21.60673 
1 1 1   47   23    0 o  396.520   22.900 66240.94  7341.63   0.0000   0.0000 66240.94  7341.63  ?   ?   396.520   22.900 0.000000 22.90029 
1 1 1   47   23    1 o  187.502   15.823 14612.30  2386.45   0.0000   0.0000 14612.30  2386.45  ?   ?   187.502   15.823 0.000000 15.82277 
1 1 1   47   23    2 f  300.958   14.516 37319.56  3547.21   0.0000   0.0000 37319.56  3547.21  ?   ?   300.958   14.516 0.000000 14.51588 
1 1 1   47   23    3 o  175.182   10.393 12603.27  1471.69   0.0000   0.0000 12603.27  1471.69  ?   ?   175.182   10.393 0.000000 10.39291 
1 1 1   47   23    4 o  236.104   11.987 22952.22  2290.53 34007.85  6340.09 21292.61  2456.44  279.305   28.349  226.989   13.387 52.31583 31.35100 
1 1 1   47   23    5 o   64.744   11.019  1766.52  558.506  1687.52  3520.97  1768.56  565.667   82.375   33.521   64.756   11.161 17.61911 35.33072 
1 1 1   47   23    6 o  123.659   10.915  6326.25  1084.66  6619.31  4322.02  6306.55  1120.52  119.005   38.877  123.380   11.311 -4.374496 40.48867 
1 1 1   47   23    7 o  186.600   17.281 14688.15  2588.57 22710.68  5547.40 12455.08  2926.75  223.798   31.391  169.855   21.718 53.94269 38.17197 
1 1 1   47   23    8 o   78.757   14.811  2659.53  912.375  1404.60  4433.90  2715.02  932.327   86.047   36.512   79.551   14.984 6.496300 39.46651 
1 1 1   47   23    9 o  108.884   13.810  5000.35  1193.49  579.170  5061.50  5260.64  1228.12   85.882   37.713  111.714   13.835 -25.83201 40.17026 
1 1 1   47   23   10 f  177.880   13.047 13213.19  1871.29 15758.01  6216.17 12959.59  1962.32  172.012   44.252  175.845   13.856 -3.832764 46.37098 
1 1 1   47   23   11 o   94.588   15.885  3863.43  1176.73  1120.50  5502.58  3994.89  1204.60   88.634   39.106   96.187   15.985 -7.552567 42.24723 
1 1 1   47   23   12 o   30.047   14.048 -776.1404  851.537  1652.06  4360.57 -872.4105  868.253   83.335   35.805   29.771   14.004 53.56351 38.44630 
1 1 1   47   23   13 f   35.720   16.075 -387.6546  978.649 -1840.2469  4841.89 -325.7843  999.274   71.990   33.605   36.652   16.388 35.33777 37.38769 
1 1 1   47   23   14 o  106.384   21.551  5233.76  1797.82   0.0000   0.0000  5233.76  1797.82  ?   ?   106.384   21.551 0.000000 21.55140 
1 1 1   47   23   15 o  111.231   18.438  5614.06  1606.88   0.0000   0.0000  5614.06  1606.88  ?   ?   111.231   18.438 0.000000 18.43757 
1 1 1   47   23   16 o   61.096   20.688  1726.84  1221.64   0.0000   0.0000  1726.84  1221.64  ?   ?    61.096   20.688 0.000000 20.68769 
1 1 1   47   23   17 o   37.533   17.281 -551.6378  1215.55   0.0000   0.0000 -551.6378  1215.55  ?   ?    37.533   17.281 0.000000 17.28121 
1 1 1   47   25    0 f  267.940   18.683 30273.72  4039.20   0.0000   0.0000 30273.72  4039.20  ?   ?   267.940   18.683 0.000000 18.68299 
1 1 1   47   25    1 o  192.824   16.897 15628.77  2618.88   0.0000   0.0000 15628.77  2618.88  ?   ?   192.824   16.897 0.000000 16.89745 
1 1 1   47   25    2 o   92.640   18.654  3724.54  1354.65   0.0000   0.0000  3724.54  1354.65  ?   ?    92.640   18.654 0.000000 18.65432 
1 1 1   47   25    3 o  107.434   9.7239  4769.77  839.050   0.0000   0.0000  4769.77  839.050  ?   ?   107.434   9.7239 0.000000 9.723867 
1 1 1   47   25    4 o  261.338   14.344 28428.96  3032.07   0.0000   0.0000 28428.96  3032.07  ?   ?   261.338   14.344 0.000000 14.34371 
1 1 1   47   25    5 o  289.578   15.463 35068.71  3622.69 28631.30  9023.74 36305.59  3955.44  232.972   49.244  293.982   16.639 -61.00978 51.97874 
1 1 1   47   25    6 o  167.447   18.592 11987.62  2485.05 12412.87  5741.57 11889.60  2756.63  154.522   43.771  165.653   20.964 -11.13144 48.53211 
1 1 1   47   25    7 o  309.784   14.348 40009.33  3608.90 50967.70  8984.46 37901.03  3940.80  329.193   34.108  300.021   16.237 29.17181 37.77533 
1 1 1   47   25    8 o  102.334   13.191  4421.95  1070.55 -1553.5880  5151.86  4691.62  1094.44   77.898   35.759  105.495   13.056 -27.59662 38.06775 
1 1 1   47   25    9 o   84.070   16.309  3077.32  1073.13  2692.06  5010.10  3095.85  1098.63   92.780   39.058   84.222   16.655 8.557381 42.46130 
1 1 1   47   25   10 o   40.807   16.844  265.114  904.987  4263.33  5927.05  169.676  915.724  101.815   42.652   39.931   16.748 61.88338 45.82277 
1 1 1   47   25   11 o  229.626   14.270 22312.55  2647.36 31535.53  7903.12 21146.84  2809.69  240.654   41.972  222.619   15.643 18.03458 44.79192 
1 1 1   47   25   12 o  109.965   15.821  5262.55  1371.98  5107.31  7378.77  5268.10  1396.33  103.193   45.419  109.885   16.130 -6.692337 48.19800 
1 1 1   47   25   13 o   87.946   18.468  3514.00  1276.83 14441.78  6558.31  3083.48  1301.74  142.727   47.935   81.692   19.826 61.03544 51.87320 
1 1 1   47   25   14 f   68.378   21.889  2203.18  1374.53   0.0000   0.0000  2203.18  1374.53  ?   ?    68.378   21.889 0.000000 21.88928 
1 1 1   47   25   15 o   89.553   21.094  3908.63  1508.52   0.0000   0.0000  3908.63  1508.52  ?   ?    89.553   21.094 0.000000 21.09356 
1 1 1   47   25   16 o  113.846   20.574  6373.82  1831.84   0.0000   0.0000  6373.82  1831.84  ?   ?   113.846   20.574 0.000000 20.57395 
1 1 1   47   27    0 o  112.618   18.895  5513.99  1666.64   0.0000   0.0000  5513.99  1666.64  ?   ?   112.618   18.895 0.000000 18.89537 
1 1 1   47   27    1 o   85.655   20.673  3261.41  1421.41   0.0000   0.0000  3261.41  1421.41  ?   ?    85.655   20.673 0.000000 20.67349 
1 1 1   47   27    2 o  148.656   18.751  9512.76  2213.01   0.0000   0.0000  9512.76  2213.01  ?   ?   148.656   18.751 0.000000 18.75139 
1 1 1   47   27    3 o  129.277   20.673  7321.00  2096.91   0.0000   0.0000  7321.00  2096.91  ?   ?   129.277   20.673 0.000000 20.67300 
1 1 1   47   27    4 o  236.019   22.407 24365.98  4242.53   0.0000   0.0000 24365.98  4242.53  ?   ?   236.019   22.407 0.000000 22.40672 
1 1 1   47   27    5 o   60.624   12.429  1578.53  591.293 -1960.4260  5221.08  1624.51  595.122   76.876   35.544   61.539   12.340 15.33731 37.62521 
1 1 1   47   27    6 o   86.367   12.593  3161.70  857.161  8021.05  5518.67  3041.57  867.691  122.523   43.813   84.547   13.060 37.97601 45.71846 
1 1 1   47   27    7 o  173.057   12.559 12532.37  1752.80 18311.23  6280.50 12044.25  1825.32  184.239   42.800  169.294   13.388 14.94485 44.84552 
1 1 1   47   27    8 o  164.878   12.953 11426.74  1720.07 13781.20  6388.03 11242.69  1786.04  152.063   46.989  163.256   13.597 -11.19305 48.91633 
1 1 1   47   27    9 f   73.571   17.456  2412.04  1027.07  9854.82  6398.75  2215.22  1040.56  126.524   46.884   70.363   18.107 56.16038 50.25938 
1 1 1   47   27   10 o   57.798   19.265  1424.28  1059.37  6963.29  7578.70  1313.89  1069.88  110.051   47.241   56.261   19.355 53.78972 51.05243 
1 1 1   47   27   11 o  107.980   17.488  5183.79  1480.86 -1249.5270  8543.71  5383.05  1503.62   87.768   42.032  110.123   17.393 -22.35548 45.48837 
1 1 1   47   27   12 o  131.102   17.146  7648.32  1781.46   0.0000   0.0000  7648.32  1781.46  ?   ?   131.102   17.146 0.000000 17.14591 
1 1 1   47   27   13 o   67.198   21.492  2148.57  1325.27   0.0000   0.0000  2148.57  1325.27  ?   ?    67.198   21.492 0.000000 21.49157 
1 1 1   47   27   14 o  155.466   16.321 10941.28  2029.45   0.0000   0.0000 10941.28  2029.45  ?   ?   155.466   16.321 0.000000 16.32052 
1 1 1   47   27   15 o   47.256   20.375  440.699  1421.58   0.0000   0.0000  440.699  1421.58  ?   ?    47.256   20.375 0.000000 20.37481 
1 1 1   47   29    0 o   72.888   23.109  2360.22  1534.78   0.0000   0.0000  2360.22  1534.78  ?   ?    72.888   23.109 0.000000 23.10877 
1 1 1   47   29    1 o   57.718   22.967  946.684  1613.46   0.0000   0.0000  946.684  1613.46  ?   ?    57.718   22.967 0.000000 22.96681 
1 1 1   47   29    2 o  179.013   21.414 14167.32  3050.77   0.0000   0.0000 14167.32  3050.77  ?   ?   179.013   21.414 0.000000 21.41381 
1 1 1   47   29    3 o   26.998   9.5523  262.565  261.662   0.0000   0.0000  262.565  261.662  ?   ?    26.998   9.5523 0.000000 9.552341 
1 1 1   47   29    4 o  120.755   11.384  6105.81  1103.04   0.0000   0.0000  6105.81  1103.04  ?   ?   120.755   11.384 0.000000 11.38425 
1 1 1   47   29    5 o  242.224   14.970 24891.24  2929.83   0.0000   0.0000 24891.24  2929.83  ?   ?   242.224   14.970 0.000000 14.96993 
1 1 1   47   29    6 o  119.191   12.085  5987.41  1153.42  4365.06  6293.22  6043.80  1173.29  100.753   43.144  119.700   12.244 -18.94736 44.84755 
1 1 1   47   29    7 o  125.694   12.936  6700.54  1301.41 10560.65  6545.76  6541.67  1327.92  127.682   47.399  123.989   13.404 3.693306 49.25730 
1 1 1   47   29    8 o   56.619   16.983  1411.41  842.817  5879.86  7417.88  1352.97  848.310  104.736   45.831   55.618   17.113 49.11806 48.92205 
1 1 1   47   29    9 o  101.904   15.442  4548.31  1237.71 -4985.5190  8341.86  4762.92  1251.57   80.099   39.103  104.433   15.206 -24.33371 41.95598 
1 1 1   47   29   10 o  173.372   14.952 13049.65  2084.27   0.0000   0.0000 13049.65  2084.27  ?   ?   173.372   14.952 0.000000 14.95222 
1 1 1   47   29   11 o  140.064   16.245  8730.52  1813.24   0.0000   0.0000  8730.52  1813.24  ?   ?   140.064   16.245 0.000000 16.24537 
1 1 1   47   29   12 o   97.891   21.010  4655.94  1620.02   0.0000   0.0000  4655.94  1620.02  ?   ?    97.891   21.010 0.000000 21.01009 
1 1 1   47   29   13 o   50.130   20.792  765.107  1388.52   0.0000   0.0000  765.107  1388.52  ?   ?    50.130   20.792 0.000000 20.79190 
1 1 1   47   31    0 o   71.728   24.552  2302.70  1720.85   0.0000   0.0000  2302.70  1720.85  ?   ?    71.728   24.552 0.000000 24.55215 
1 1 1   47   31    1 o   91.265   28.313  4078.87  2316.65   0.0000   0.0000  4078.87  2316.65  ?   ?    91.265   28.313 0.000000 28.31264 
1 1 1   47   31    2 o   61.397   25.037  1065.35  1969.48   0.0000   0.0000  1065.35  1969.48  ?   ?    61.397   25.037 0.000000 25.03743 
1 1 1   47   31    3 o   39.223   11.194  658.553  374.053   0.0000   0.0000  658.553  374.053  ?   ?    39.223   11.194 0.000000 11.19356 
1 1 1   47   31    4 o   94.099   10.312  3723.68  775.011   0.0000   0.0000  3723.68  775.011  ?   ?    94.099   10.312 0.000000 10.31235 
1 1 1   47   31    5 o   86.065   10.965  3139.68  748.825   0.0000   0.0000  3139.68  748.825  ?   ?    86.065   10.965 0.000000 10.96464 
1 1 1   47   31    6 o   54.651   14.100  1321.22  629.845   0.0000   0.0000  1321.22  629.845  ?   ?    54.651   14.100 0.000000 14.10007 
1 1 1   47   31    7 o  147.600   14.021  9396.39  1660.21   0.0000   0.0000  9396.39  1660.21  ?   ?   147.600   14.021 0.000000 14.02117 
1 1 1   47   31    8 o  105.456   15.334  4915.38  1274.57   0.0000   0.0000  4915.38  1274.57  ?   ?   105.456   15.334 0.000000 15.33440 
1 1 1   47   31    9 o   38.359   16.074  230.387  842.179   0.0000   0.0000  230.387  842.179  ?   ?    38.359   16.074 0.000000 16.07391 
1 1 1   47   31   10 o   37.701   16.119  137.658  875.977   0.0000   0.0000  137.658  875.977  ?   ?    37.701   16.119 0.000000 16.11891 
1 1 1   47   31   11 o  147.181   16.923  9999.78  1985.55   0.0000   0.0000  9999.78  1985.55  ?   ?   147.181   16.923 0.000000 16.92266 
1 1 1   47   31   12 o   38.264   17.848 -721.8934  1361.86   0.0000   0.0000 -721.8934  1361.86  ?   ?    38.264   17.848 0.000000 17.84827 
1 1 1   47   33    0 o   82.504   34.070  3195.88  3704.77   0.0000   0.0000  3195.88  3704.77  ?   ?    82.504   34.070 0.000000 34.06963 
1 1 1   47   33    1 o   93.276   38.158  4959.69  4592.65   0.0000   0.0000  4959.69  4592.65  ?   ?    93.276   38.158 0.000000 38.15791 
1 1 1   47   33    2 o  118.782   43.933 10143.51  5613.38   0.0000   0.0000 10143.51  5613.38  ?   ?   118.782   43.933 0.000000 43.93314 
1 1 1   47   33    3 o  121.389   43.924 10682.03  5564.99   0.0000   0.0000 10682.03  5564.99  ?   ?   121.389   43.924 0.000000 43.92422 
1 1 1   47   33    4 o   31.954   10.785  405.767  331.996   0.0000   0.0000  405.767  331.996  ?   ?    31.954   10.785 0.000000 10.78483 
1 1 1   47   33    5 o  184.477   14.262 14819.12  2119.77   0.0000   0.0000 14819.12  2119.77  ?   ?   184.477   14.262 0.000000 14.26247 
1 1 1   47   33    6 o   66.751   12.414  1959.83  648.092   0.0000   0.0000  1959.83  648.092  ?   ?    66.751   12.414 0.000000 12.41445 
1 1 1   47   33    7 o   36.026   13.769  430.150  561.360   0.0000   0.0000  430.150  561.360  ?   ?    36.026   13.769 0.000000 13.76861 
1 1 1   47   33    8 o   43.450   16.094  738.408  753.893   0.0000   0.0000  738.408  753.893  ?   ?    43.450   16.094 0.000000 16.09443 
1 1 1   47   33    9 o   48.262   18.262  953.628  981.386   0.0000   0.0000  953.628  981.386  ?   ?    48.262   18.262 0.000000 18.26204 
1 1 1   47   33   10 o   21.222   10.570 -1696.7300  724.056   0.0000   0.0000 -1696.7300  724.056  ?   ?    21.222   10.570 0.000000 10.56962 
1 1 1   47   35    0 o   79.133   30.359  3581.46  2735.74   0.0000   0.0000  3581.46  2735.74  ?   ?    79.133   30.359 0.000000 30.35929 
1 1 1   47   35    1 o   62.979   26.500  1504.44  2304.49   0.0000   0.0000  1504.44  2304.49  ?   ?    62.979   26.500 0.000000 26.50016 
1 1 1   47   35    2 o   49.663   23.039 -698.9132  2220.45   0.0000   0.0000 -698.9132  2220.45  ?   ?    49.663   23.039 0.000000 23.03859 
1 1 1   47   35    3 o   51.968   24.465 -1073.2220  2659.82   0.0000   0.0000 -1073.2220  2659.82  ?   ?    51.968   24.465 0.000000 24.46461 
1 1 1   47   35    4 o   42.267   11.327  793.896  396.603   0.0000   0.0000  793.896  396.603  ?   ?    42.267   11.327 0.000000 11.32667 
1 1 1   47   35    5 o   42.518   12.496  807.508  459.973   0.0000   0.0000  807.508  459.973  ?   ?    42.518   12.496 0.000000 12.49601 
1 1 1   47   35    6 o  117.157   12.239  6049.59  1147.10   0.0000   0.0000  6049.59  1147.10  ?   ?   117.157   12.239 0.000000 12.23925 
1 1 1   47   35    7 f   71.485   15.837  2432.60  895.008   0.0000   0.0000  2432.60  895.008  ?   ?    71.485   15.837 0.000000 15.83652 
1 1 1   47   37    0 o  112.572   36.360 10341.08  3786.19   0.0000   0.0000 10341.08  3786.19  ?   ?   112.572   36.360 0.000000 36.36007 
1 1 1   47   37    1 o  108.770   39.840 11729.18  4598.32   0.0000   0.0000 11729.18  4598.32  ?   ?   108.770   39.840 0.000000 39.84013 
1 1 1   47   37    2 o   91.021   39.783 10498.39  5574.88   0.0000   0.0000 10498.39  5574.88  ?   ?    91.021   39.783 0.000000 39.78345 
1 1 1   47   37    3 o   71.421   33.257  4186.39  4695.78   0.0000   0.0000  4186.39  4695.78  ?   ?    71.421   33.257 0.000000 33.25690 
1 1 1   48    0    0 o  966.106   69.943 400622.09 54205.82   0.0000   0.0000 400622.09 54205.82  966.106   69.943  966.106   69.943 0.000000 0.000000 
1 1 1   48    0    1 o  394.794   29.833 64858.17  9437.55   0.0000   0.0000 64858.17  9437.55  394.794   29.833  394.794   29.833 0.000000 0.000000 
1 1 1   48    0    2 o  1379.26  104.992 866462.69 116015.20   0.0000   0.0000 866462.69 116015.20  1379.26  104.992  1379.26  104.992 0.000000 0.000000 
1 1 1   48    0    3 o  393.995   21.028 63841.21  6683.25 62749.95  9705.48 64825.31  9216.54  387.522   31.315  394.743   29.119 0.000000 0.000000 
1 1 1   48    0    4 o  143.458   11.425  8524.70  1311.45  8972.65  2074.07  8226.30  1692.81  145.028   18.423  139.691   15.402 0.000000 0.000000 
1 1 1   48    0    5 o  426.009   23.679 74831.90  8132.72 61232.07 11771.51 87251.34 11249.08  379.257   39.184  458.152   30.551 0.000000 0.000000 
1 1 1   48    0    6 f   27.311   14.867  426.096  466.372   0.0000   0.0000  426.096  466.372   27.311   14.867   27.311   14.867 0.000000 0.000000 
1 1 1   48    0    7 o  147.717   11.474  9033.62  1357.11  8829.71  2205.88  9157.80  1721.46  143.054   20.138  147.838   14.672 0.000000 0.000000 
1 1 1   48    0    8 o  180.252   12.419 13408.00  1797.82 13027.93  2856.93 13657.18  2313.28  174.965   20.898  180.973   16.032 0.000000 0.000000 
1 1 1   48    0    9 o   66.846   13.898  2037.02  665.238  2137.95  1227.76  1995.08  791.491   61.136   25.061   63.783   17.669 0.000000 0.000000 
1 1 1   48    0   10 o   59.723   17.352  1776.58  730.365  776.451  1401.64  2149.36  855.721   41.104   24.329   66.120   18.424 0.000000 0.000000 
1 1 1   48    0   11 o  365.236   19.904 55120.07  5862.68 54068.87  8637.50 56018.07  7983.26  357.602   30.245  365.465   27.251 0.000000 0.000000 
1 1 1   48    0   12 o   24.538   15.682   46.427  698.120 -933.3588  1210.95  534.175  854.394   25.342   17.497   32.961   19.233 0.000000 0.000000 
1 1 1   48    0   13 o   88.349   14.747  3445.30  969.282  6652.11  1693.79  1883.76  1181.95  123.567   17.996   56.328   24.726 0.000000 0.000000 
1 1 1   48    0   14 o  169.298   14.365 12011.47  1941.90  7871.12  3209.24 14403.08  2439.10  122.282   37.042  184.858   16.555 0.000000 0.000000 
1 1 1   48    0   15 o   92.076   16.954  3826.91  1140.84  1481.66  2016.83  4930.42  1383.45   51.411   29.743  105.104   17.725 0.000000 0.000000 
1 1 1   48    0   16 o  107.197   15.786  5044.74  1286.64  4292.84  2285.46  5393.61  1556.77   84.423   34.123  109.119   19.398 0.000000 0.000000 
1 1 1   48    0   17 o  226.423   16.200 21678.04  2943.35 20513.64  4737.71 22409.95  3756.16  211.050   29.251  227.440   20.736 0.000000 0.000000 
1 1 1   48    0   18 o  116.472   17.720  6066.71  1560.76  2570.26  3065.03  7290.73  1813.49   62.183   36.364  127.731   18.647 0.000000 0.000000 
1 1 1   48    0   19 o   34.867   21.135  572.875  1107.69 -88.4528  2610.99  718.028  1223.23   42.647   28.324   37.423   22.446 0.000000 0.000000 
1 1 1   48    0   20 o  223.294   17.085 21800.13  3055.90 27270.85  5464.53 19310.76  3686.18  234.601   30.034  204.174   22.984 0.000000 0.000000 
1 1 1   48    0   21 o  119.719   18.549  6711.58  1674.21  8832.44  4117.02  6291.36  1832.58   99.608   46.102  112.323   22.681 0.000000 0.000000 
1 1 1   48    2    0 o  722.794   35.746 216534.59 20978.81 207304.80 29649.42 225788.30 29687.64  697.146   52.770  729.194   50.451 -32.04803 73.00657 
1 1 1   48    2    1 o  738.957   36.289 226555.80 21773.78 207418.70 30754.50 245788.30 30831.19  695.684   54.891  760.829   50.189 -65.14532 74.37730 
1 1 1   48    2    2 o  404.805   21.142 67215.92  6924.90 74596.63  9728.89 59636.49  9858.99  424.822   28.368  378.567   32.386 46.25485 43.05286 
1 1 1   48    2    3 o  901.704   31.353 335778.81 22955.53 318749.19 32427.90 352884.41 32500.27  868.936   46.127  917.135   43.643 -48.19928 63.50099 
1 1 1   48    2    4 o  234.380   11.508 22355.39  2190.05 23815.04  3598.66 21496.80  2760.00  240.752   18.552  229.170   14.914 11.58167 23.80332 
1 1 1   48    2    5 o  323.747   14.304 42715.29  3760.11 44877.06  6290.17 41513.30  4690.39  329.931   23.637  318.270   18.226 11.66129 29.84750 
1 1 1   48    2    6 o  321.785   12.210 42161.85  3190.14 43250.78  4506.64 41068.16  4516.46  325.007   17.138  316.596   17.639 8.410889 24.59382 
1 1 1   48    2    7 o  616.841   24.797 156483.50 12419.91 153039.00 15260.46 163241.00 21374.67  607.056   31.064  620.968   42.651 -13.91138 52.76471 
1 1 1   48    2    8 o  313.073   12.200 39928.22  3101.27 40096.89  4387.06 39759.73  4384.65  312.720   17.345  311.387   17.412 1.332642 24.57702 
1 1 1   48    2    9 o  467.954   17.521 89587.46  6657.40 92567.62  9424.98 86619.91  9405.02  473.308   24.609  457.540   25.416 15.76718 35.37777 
1 1 1   48    2   10 o  391.488   16.935 62717.52  5383.08 63412.25  6533.42 61248.89  9499.11  392.394   20.578  382.245   30.869 10.14896 37.09909 
1 1 1   48    2   11 o  122.716   10.718  6182.59  1057.23  4763.62  2112.45  6656.79  1221.18  105.210   25.082  127.204   11.964 -21.99372 27.78931 
1 1 1   48    2   12 o  614.809   21.895 156398.70 10929.99 155585.30 15486.12 157206.00 15428.73  606.375   31.562  609.763   31.268 -3.387695 44.42778 
1 1 1   48    2   13 o  453.426   17.371 84833.28  6395.42 83991.88  9071.46 85664.77  9017.75  446.639   25.116  451.342   24.700 -4.702881 35.22668 
1 1 1   48    2   14 o   87.718   10.494  3192.19  732.609  2831.60  1026.93  3565.91  1045.45   81.403   16.107   91.970   14.478 -10.56756 21.65789 
1 1 1   48    2   15 o  116.163   9.6344  5559.85  900.518  6088.20  1282.15  5045.50  1265.07  120.832   13.288  109.555   14.584 11.27740 19.72944 
1 1 1   48    2   16 o  110.061   10.599  5020.28  935.448  5018.25  1312.48  5022.38  1333.61  108.870   15.267  108.840   15.531 0.2966309E-01 21.77828 
1 1 1   48    2   17 o   80.714   12.243  2752.01  777.178  3081.89  1157.27  2481.02  1048.89   84.079   17.520   75.308   17.489 8.770164 24.75482 
1 1 1   48    2   18 o   45.032   16.054  751.011  740.404 -1011.2330  1029.46  2639.39  1065.66   32.540   15.288   77.447   17.374 -44.90689 23.14229 
1 1 1   48    2   19 o   67.733   16.015  2025.87  866.891  2773.34  1197.00  1201.40  1257.15   78.547   18.980   56.548   20.813 21.99911 28.16782 
1 1 1   48    2   20 o  135.441   11.504  7737.74  1253.17  7593.60  1790.70  7876.08  1754.36  131.219   17.223  134.118   16.455 -2.898880 23.81999 
1 1 1   48    2   21 o   35.499   15.072  115.468  756.337  918.376  1089.92 -630.2934  1050.42   50.101   19.176   34.724   16.016 15.37701 24.98466 
1 1 1   48    4    0 o  741.142   53.690 235099.41 32090.98 235099.41 32090.98   0.0000   0.0000  741.142   53.690  ?   ?  0.000000 53.69042 
1 1 1   48    4    1 o  557.458   40.006 130286.40 17988.00 130286.40 17988.00   0.0000   0.0000  557.458   40.006  ?   ?  0.000000 40.00647 
1 1 1   48    4    2 o   72.453   12.136  2194.50  688.715  2194.50  688.715   0.0000   0.0000   72.453   12.136  ?   ?  0.000000 12.13611 
1 1 1   48    4    3 o  176.944   9.2134 12764.84  1319.14 10266.30  2033.19 14581.18  1733.53  157.847   16.089  188.958   11.351 -31.11092 19.68999 
1 1 1   48    4    4 o  468.172   19.487 89609.48  7407.77 91938.24 12523.74 88356.26  9187.28  470.080   33.021  463.324   24.508 6.755554 41.12209 
1 1 1   48    4    5 o  589.422   21.808 142336.30 10437.12 148384.91 14728.23 136234.70 14792.61  598.532   30.406  572.853   31.930 25.67950 44.09082 
1 1 1   48    4    6 o  255.908   10.917 26651.70  2268.36 28240.40  3195.20 25037.37  3220.85  262.716   15.041  247.165   16.138 15.55115 22.06027 
1 1 1   48    4    7 o  163.220   8.0360 10830.86  1065.01 11262.30  1503.39 10396.23  1508.92  165.952   11.223  159.355   11.744 6.596451 16.24467 
1 1 1   48    4    8 o  522.123   21.614 111894.20  9163.32 114107.90 11270.42 107577.00 15738.99  525.188   26.515  504.606   38.709 20.58130 46.91927 
1 1 1   48    4    9 o  277.353   13.696 31381.14  3084.46 31994.61  3741.54 30079.88  5449.28  279.258   16.575  268.870   25.257 10.38846 30.20994 
1 1 1   48    4   10 o  228.663   9.7611 21285.36  1812.32 20690.25  2583.45 21861.98  2543.03  224.658   14.236  231.049   13.616 -6.390396 19.69892 
1 1 1   48    4   11 o  193.445   9.2146 15235.24  1447.35 14677.42  2062.68 15776.26  2031.39  189.090   13.524  196.180   12.823 -7.089813 18.63683 
1 1 1   48    4   12 f  579.623   20.864 138895.59  9819.46 142009.70 13933.05 135822.50 13841.03  580.094   29.680  566.923   30.177 13.17047 42.32667 
1 1 1   48    4   13 o  248.417   10.780 25219.92  2174.42 25733.88  3123.22 24736.47  3029.13  249.602   15.487  244.745   15.320 4.857941 21.78408 
1 1 1   48    4   14 o  160.678   9.1574 10580.24  1189.77  9229.67  1712.36 11840.81  1654.31  148.991   14.331  169.443   12.104 -20.45192 18.75872 
1 1 1   48    4   15 o   88.443   10.303  3248.19  725.999  4349.49  1072.68  2317.29  986.199  101.880   13.283   73.200   16.930 28.67974 21.51881 
1 1 1   48    4   16 o  178.334   10.313 13102.30  1487.00 13029.07  2114.17 13174.00  2091.88  176.453   14.895  177.526   14.643 -1.072800 20.88752 
1 1 1   48    4   17 o  114.386   9.9535  5419.05  915.244  5179.60  1278.96  5670.38  1310.31  110.560   14.604  115.876   14.225 -5.316093 20.38741 
1 1 1   48    4   18 o  105.436   11.578  4659.83  974.909  6552.01  1346.23  2573.21  1413.70  124.590   13.525   75.757   21.805 48.83325 25.65902 
1 1 1   48    4   19 o  102.860   12.288  4478.56  1005.92  2995.75  1350.67  6325.43  1507.38   81.127   20.497  121.080   15.702 -39.95317 25.82019 
1 1 1   48    4   20 o   91.070   13.629  3590.18  976.860  2551.73  1298.26  4945.36  1483.09   74.092   20.753  105.001   18.046 -30.90876 27.50158 
1 1 1   48    4   21 o  111.061   11.919  5296.60  1058.03  5057.77  1404.39  5610.06  1608.95  105.703   16.935  110.292   18.630 -4.588547 25.17657 
1 1 1   48    6    0 o  237.641   20.994 23288.59  4009.21   0.0000   0.0000 23288.59  4009.21  ?   ?   237.641   20.994 0.000000 20.99372 
1 1 1   48    6    1 o  468.496   34.740 91542.02 13121.00   0.0000   0.0000 91542.02 13121.00  ?   ?   468.496   34.740 0.000000 34.73981 
1 1 1   48    6    3 o  351.972   16.052 50537.58  4587.40 50400.05  5511.25 50847.80  8277.19  350.574   19.437  349.905   29.406 0.6691284 35.24970 
1 1 1   48    6    4 o  354.426   19.477 51523.03  5583.50 54960.85  7587.32 47462.10  8246.30  364.730   25.786  337.627   30.407 27.10327 39.86835 
1 1 1   48    6    5 o  349.301   16.326 49799.84  4630.42 64814.10  7752.54 41473.17  5773.35  396.520   24.195  317.221   22.561 79.29846 33.08192 
1 1 1   48    6    6 o  523.905   22.424 112623.30  9538.86 132751.00 16270.80 102082.80 11774.54  563.181   35.767  496.099   29.361 67.08212 46.27476 
1 1 1   48    6    7 o  270.758   16.153 30043.88  3535.06 35255.94  4794.72 23836.37  5232.59  292.635   20.305  238.771   27.492 53.86414 34.17699 
1 1 1   48    6    8 o  840.251   29.656 292839.81 20233.05 310698.91 28637.81 275040.31 28589.96  857.129   41.149  803.120   44.010 54.00977 60.25024 
1 1 1   48    6    9 o  459.593   16.933 86416.41  6319.07 89656.88  8963.13 83214.14  8910.13  465.822   23.777  448.467   24.562 17.35510 34.18530 
1 1 1   48    6   10 o  248.492   10.603 25153.37  2139.41 25669.08  3050.98 24654.47  3000.81  250.149   15.092  245.128   15.151 5.021713 21.38495 
1 1 1   48    6   11 o   47.246   11.859  946.335  454.257  477.159  596.959  1591.72  700.140   38.732   14.327   61.177   14.344 -22.44568 20.27302 
1 1 1   48    6   12 o  198.899   11.308 16207.01  1818.67 20067.08  3647.56 14929.91  2098.06  219.243   20.736  190.473   13.656 28.76982 24.82912 
1 1 1   48    6   13 o  192.853   9.4533 15182.99  1480.30 15920.92  2121.22 14482.45  2066.76  196.504   13.374  187.306   13.684 9.197739 19.13435 
1 1 1   48    6   14 o   19.839   9.5394 -670.2714  450.129 -849.7056  599.171 -437.7984  682.000   23.155   11.100   28.800   13.142 -5.645710 17.20197 
1 1 1   48    6   15 o  168.249   9.4964 11626.65  1292.03 10505.16  1827.79 12746.71  1826.63  158.712   14.338  175.357   12.920 -16.64528 19.30048 
1 1 1   48    6   16 o  115.949   9.7671  5554.81  910.974  5788.05  1275.70  5312.12  1301.30  117.436   13.632  112.159   14.638 5.276459 20.00281 
1 1 1   48    6   17 o   70.331   12.659  2110.36  696.347  1107.24  883.973  3750.82  1130.44   52.438   17.599   93.512   15.426 -41.07431 23.40251 
1 1 1   48    6   18 o   75.689   13.321  2457.86  788.766  1856.84  1032.19  3301.43  1222.85   64.916   18.617   86.477   18.001 -21.56038 25.89628 
1 1 1   48    6   19 o  137.648   10.737  7918.11  1190.54  7465.90  1614.44  8457.15  1762.65  131.685   15.389  140.052   15.775 -8.366760 22.03805 
1 1 1   48    6   20 o   24.822   11.695 -626.1953  610.170   68.955  782.867 -1702.0040  973.904   35.750   15.260   27.273   13.324 8.477543 20.25886 
1 1 1   48    6   21 o   99.208   12.308  4262.31  970.121  3919.12  1195.00  4925.68  1661.42   92.890   16.446  101.343   20.885 -8.453377 26.58277 
1 1 1   48    8    0 f  258.573   22.120 27597.57  4599.46   0.0000   0.0000 27597.57  4599.46  ?   ?   258.573   22.120 0.000000 22.11998 
1 1 1   48    8    1 f  457.900   34.172 87499.60 12613.70   0.0000   0.0000 87499.60 12613.70  ?   ?   457.900   34.172 0.000000 34.17226 
1 1 1   48    8    2 o  551.869   40.379 128189.50 17968.23   0.0000   0.0000 128189.50 17968.23  ?   ?   551.869   40.379 0.000000 40.37914 
1 1 1   48    8    3 o  579.571   29.585 139083.50 13876.12 138252.00 19824.58 139882.20 19429.00  571.696   43.023  575.690   41.851 -3.993958 60.02034 
1 1 1   48    8    4 o  514.856   16.725 108233.30  6991.62 108107.70  9805.55 108363.20  9971.82  513.126   23.535  513.640   23.910 -0.5134277 33.54947 
1 1 1   48    8    5 o  380.265   15.801 59019.29  4878.80 60655.42  5929.02 55588.24  8585.91  385.049   18.964  365.620   29.164 19.42990 34.78748 
1 1 1   48    8    6 o  187.160   10.301 14298.23  1559.43 15225.92  1881.27 12261.01  2787.86  192.967   12.068  171.807   20.382 21.15988 23.68643 
1 1 1   48    8    7 o  104.002   9.5408  4437.79  796.700  4729.01  1011.25  3961.26  1293.59  107.101   11.826   97.043   17.039 10.05788 20.74046 
1 1 1   48    8    8 o  440.703   18.414 79549.92  6589.04 82080.75 11163.53 78196.91  8162.46  443.000   31.236  435.230   23.181 7.769897 38.89758 
1 1 1   48    8    9 o  263.083   14.342 28347.29  3052.21 26664.05  4177.06 30275.62  4470.84  253.972   20.428  270.712   20.491 -16.74008 28.93482 
1 1 1   48    8   10 o  303.866   12.072 37664.22  2978.50 37830.32  4237.69 37502.05  4187.23  303.308   17.279  302.014   17.146 1.293274 24.34186 
1 1 1   48    8   11 o   47.807   11.620  970.101  446.661  1035.02  573.678  870.173  711.773   49.579   13.763   47.386   15.791 2.192390 20.94714 
1 1 1   48    8   12 o  362.197   14.293 53831.37  4203.35 54847.21  5998.38 52851.29  5891.90  363.056   20.431  356.363   20.448 6.693542 28.90569 
1 1 1   48    8   13 o  185.018   9.9478 14031.66  1488.96 15077.35  2125.00 13023.11  2086.92  190.987   13.796  177.225   14.633 13.76279 20.11122 
1 1 1   48    8   14 o   28.685   11.929   78.723  458.736 -956.4370  596.195  1580.96  718.213   22.339   10.800   60.660   14.729 -38.32162 18.26431 
1 1 1   48    8   15 o  203.109   9.9268 16915.24  1637.11 18688.46  2369.17 15294.82  2264.79  212.082   13.834  191.495   14.677 20.58789 20.16927 
1 1 1   48    8   16 o  314.482   12.800 40941.86  3268.50 42167.75  4708.76 39802.00  4540.54  315.408   18.467  306.502   18.329 8.906006 26.01855 
1 1 1   48    8   17 o  196.500   10.508 15967.99  1670.57 17846.83  2400.19 14202.56  2326.62  206.141   14.431  183.173   15.798 22.96779 21.39659 
1 1 1   48    8   18 o   63.372   13.308  1739.66  662.983  1959.20  886.276  1460.70  999.014   66.635   16.474   58.437   18.656 8.197578 24.88879 
1 1 1   48    8   19 o   65.699   12.844  1872.50  660.600  2558.16  812.939  539.547  1133.47   76.845   13.523   47.162   19.082 29.68334 23.38745 
1 1 1   48    8   20 o  149.449   11.190  9439.96  1348.06 10143.01  1793.84  8527.75  2043.31  152.864   14.631  137.232   18.834 15.63174 23.84945 
1 1 1   48    8   21 o  210.579   12.313 19095.71  2096.22 20054.91  2918.65 18073.77  3012.58  210.180   17.255  197.253   19.046 12.92676 25.69987 
1 1 1   48   10    0 o  399.275   30.716 66371.98  9881.53   0.0000   0.0000 66371.98  9881.53  ?   ?   399.275   30.716 0.000000 30.71562 
1 1 1   48   10    1 o   71.088   19.028  2138.38  1120.01   0.0000   0.0000  2138.38  1120.01  ?   ?    71.088   19.028 0.000000 19.02755 
1 1 1   48   10    2 o   37.036   15.252  164.388  739.889   0.0000   0.0000  164.388  739.889  ?   ?    37.036   15.252 0.000000 15.25227 
1 1 1   48   10    3 o  374.383   30.221 58373.01  9108.54 58373.01  9108.54   0.0000   0.0000  374.383   30.221  ?   ?  0.000000 30.22122 
1 1 1   48   10    4 o  364.730   29.689 55404.14  8716.11 55404.14  8716.11   0.0000   0.0000  364.730   29.689  ?   ?  0.000000 29.68923 
1 1 1   48   10    5 o  339.164   15.246 46952.98  4198.67 50480.78  7552.37 45374.91  5051.21  348.727   26.880  332.436   18.790 16.29050 32.79602 
1 1 1   48   10    6 o  207.948   10.757 17652.28  1810.13 21077.31  2513.15 13959.87  2609.40  226.921   13.704  183.898   17.694 43.02304 22.37998 
1 1 1   48   10    7 o  266.035   13.714 28950.61  2952.29 30820.01  3607.13 25157.26  5138.33  274.101   16.280  245.417   26.190 28.68434 30.83806 
1 1 1   48   10    8 o  225.472   11.988 20781.28  2186.91 23583.25  2683.14 15236.20  3774.55  239.975   13.829  190.503   25.006 49.47220 28.57513 
1 1 1   48   10    9 o  231.860   17.895 22171.46  3342.96 22171.46  3342.96   0.0000   0.0000  231.860   17.895  ?   ?  0.000000 17.89537 
1 1 1   48   10   10 o  609.380   25.227 154287.50 12481.98 161597.80 21328.21 150479.50 15393.42  608.918   43.422  597.008   31.871 11.90912 53.86307 
1 1 1   48   10   11 o   71.337   8.8649  2105.22  502.416  2534.95  656.663  1498.49  780.262   78.107   10.630   59.382   15.876 18.72424 19.10638 
1 1 1   48   10   12 o  276.511   11.285 31283.22  2533.72 31327.44  3620.43 31240.78  3547.15  275.099   16.281  274.818   15.965 0.2809753 22.80226 
1 1 1   48   10   13 o  141.394   8.8740  8197.55  1013.64  9509.65  1416.46  6820.38  1451.16  151.834   11.577  127.865   14.218 23.96864 18.33504 
1 1 1   48   10   14 o  231.157   10.209 21902.81  1916.15 23103.67  2732.66 20741.23  2687.59  235.907   14.334  223.272   14.911 12.63577 20.68312 
1 1 1   48   10   15 o  165.383   9.1225 11238.80  1220.28 10635.09  1725.68 11842.59  1725.79  159.747   13.429  168.858   12.680 -9.111038 18.46912 
1 1 1   48   10   16 o  138.658   9.6423  7936.32  1078.84  7732.82  1496.08  8156.77  1557.16  135.707   13.768  139.353   13.949 -3.645844 19.59941 
1 1 1   48   10   17 o   76.973   11.271  2501.35  683.574  1787.85  868.979  3659.58  1107.16   63.830   16.608   92.174   15.332 -28.34453 22.60271 
1 1 1   48   10   18 o  155.165   9.8540  9992.98  1235.05 10611.60  1669.98  9246.14  1834.91  158.620   13.083  146.822   15.632 11.79811 20.38449 
1 1 1   48   10   19 o   52.726   14.132  1223.96  617.343  1900.13  769.325   1.2085  1034.55   65.510   14.811   39.986   17.310 25.52393 22.78181 
1 1 1   48   10   20 o   36.776   14.685  350.158  661.790  218.620  778.144  694.004  1258.11   37.186   15.506   49.481   20.074 -12.29478 25.36544 
1 1 1   48   10   21 o   29.015   13.082 -241.2726  651.770 -662.6998  743.372  1159.56  1355.31   27.630   12.984   54.119   21.201 -26.48914 24.86081 
1 1 1   48   12    0 o  444.198   33.896 82672.44 12133.08   0.0000   0.0000 82672.44 12133.08  ?   ?   444.198   33.896 0.000000 33.89590 
1 1 1   48   12    1 o  543.833   40.552 125228.30 17777.89   0.0000   0.0000 125228.30 17777.89  ?   ?   543.833   40.552 0.000000 40.55178 
1 1 1   48   12    2 o  209.580   20.379 18169.28  3424.07   0.0000   0.0000 18169.28  3424.07  ?   ?   209.580   20.379 0.000000 20.37890 
1 1 1   48   12    3 o  263.647   16.891 28524.88  3596.98 24343.12  5314.99 32058.63  4885.86  241.206   27.637  278.625   21.769 -37.41920 35.18080 
1 1 1   48   12    4 o  293.212   17.634 35293.79  4178.80 34642.75  6158.92 35849.18  5688.50  288.465   26.594  294.145   24.027 -5.680115 35.84110 
1 1 1   48   12    5 o  461.295   19.425 87225.22  7275.85 90120.20 12998.50 85904.33  8780.21  462.817   34.845  456.107   23.791 6.710754 42.19229 
1 1 1   48   12    6 o  382.203   16.760 59756.19  5201.08 58454.55  9451.15 60321.61  6229.14  373.263   31.478  382.864   20.108 -9.601135 37.35209 
1 1 1   48   12    7 o  136.799   10.223  7662.66  1127.30 10081.01  2475.16  7029.73  1266.26  155.432   20.082  130.764   12.062 24.66803 23.42567 
1 1 1   48   12    8 o  688.524   24.613 196131.91 13760.00 203593.80 19496.57 188726.41 19422.79  695.226   34.538  667.502   35.969 27.72443 49.86596 
1 1 1   48   12    9 o  398.073   19.205 65186.98  6207.46 66782.25  7637.35 62081.91 10655.20  400.941   23.563  381.455   34.784 19.48596 42.01395 
1 1 1   48   12   10 o  185.449   10.785 14080.45  1616.91 14826.91  1969.32 12536.33  2832.41  189.992   12.841  172.974   20.570 17.01855 24.24920 
1 1 1   48   12   11 o  319.232   17.071 42174.17  4409.00 42521.67  5983.50 41761.34  6521.74  317.957   23.340  313.877   25.819 4.079468 34.80432 
1 1 1   48   12   12 o  300.490   13.259 37124.06  3234.95 36268.52  5248.58 37648.17  4108.01  292.946   22.231  300.992   16.877 -8.046143 27.91178 
1 1 1   48   12   13 o   44.623   15.848  719.998  720.914   0.0000   0.0000  719.998  720.914  ?   ?    44.623   15.848 0.000000 15.84833 
1 1 1   48   12   14 o  174.421   9.6262 12505.64  1358.03 13468.91  1906.37 11513.19  1935.03  180.101   13.127  166.024   14.500 14.07686 19.55885 
1 1 1   48   12   15 o   93.290   9.1378  3601.97  683.289  4757.42  855.875  1571.16  1134.67  107.168   9.9492   61.381   19.913 45.78754 22.26021 
1 1 1   48   12   16 o  182.567   10.011 13764.65  1478.32 13340.91  2049.17 14224.53  2134.78  178.176   14.284  183.963   14.407 -5.786606 20.28789 
1 1 1   48   12   17 o   93.155   9.7186  3616.95  724.283  2856.77  883.532  5174.42  1264.66   81.533   13.841  110.084   14.502 -28.55056 20.04659 
1 1 1   48   12   18 o   59.708   12.438  1546.18  583.434  1208.02  705.134  2280.18  1038.88   52.658   15.471   71.213   17.967 -18.55516 23.70996 
1 1 1   48   12   19 o   78.141   11.530  2616.74  709.599  2856.24  836.849  2003.92  1338.64   81.101   13.159   66.189   21.637 14.91148 25.32414 
1 1 1   48   12   20 o   64.120   12.057  1804.21  604.660  1988.61  696.490  1239.98  1218.34   66.916   13.287   54.808   20.429 12.10801 24.36966 
1 1 1   48   14    0 o  600.111   45.087 154659.30 21809.07   0.0000   0.0000 154659.30 21809.07  ?   ?   600.111   45.087 0.000000 45.08718 
1 1 1   48   14    1 o  586.072   43.984 147128.20 20777.98   0.0000   0.0000 147128.20 20777.98  ?   ?   586.072   43.984 0.000000 43.98384 
1 1 1   48   14    2 o  194.581   20.463 15704.74  3184.56   0.0000   0.0000 15704.74  3184.56  ?   ?   194.581   20.463 0.000000 20.46294 
1 1 1   48   14    3 o  750.199   38.238 237935.70 23215.14 243139.59 33135.57 232918.59 32535.00  742.560   55.355  726.489   55.576 16.07153 78.44040 
1 1 1   48   14    4 o  215.262   15.613 19036.03  2710.43 17554.97  4116.47 20169.54  3601.25  204.678   25.309  220.738   20.321 -16.06039 32.45719 
1 1 1   48   14    5 o  389.942   16.636 62222.63  5267.39 64042.28  9655.63 61451.66  6284.97  390.820   30.674  386.314   20.106 4.506012 36.67614 
1 1 1   48   14    6 o  165.074   10.480 11143.96  1397.39 13342.62  3010.78 10540.30  1577.61  178.887   21.137  160.307   12.212 18.58032 24.41085 
1 1 1   48   14    7 o  558.577   22.140 128703.10 10041.29 142528.70 18014.58 122471.40 12094.36  577.457   38.644  541.885   27.579 35.57159 47.47559 
1 1 1   48   14    8 o  202.923   11.326 16848.20  1858.64 19667.76  3936.43 16039.27  2108.47  216.938   22.683  197.695   13.211 19.24310 26.24974 
1 1 1   48   14    9 o  259.974   13.450 27729.87  2829.43 24730.61  5663.63 28727.38  3266.22  240.610   29.615  264.221   15.290 -23.61053 33.32882 
1 1 1   48   14   10 o  111.954   11.299  5175.67  1013.03  2759.35  2379.77  5710.44  1119.53   83.706   28.862  117.549   11.893 -33.84220 31.21673 
1 1 1   48   14   11 o  278.304   11.378 31730.65  2571.16 31108.51  3654.26 32340.61  3618.33  273.732   16.519  279.299   16.022 -5.567596 23.01249 
1 1 1   48   14   12 o  200.182   11.033 16485.16  1786.43 17247.31  2184.90 14948.14  3102.78  204.188   13.250  187.484   20.729 16.70445 24.60179 
1 1 1   48   14   13 o  109.183   20.078  5173.00  1714.38   0.0000   0.0000  5173.00  1714.38  ?   ?   109.183   20.078 0.000000 20.07799 
1 1 1   48   14   14 o   91.611   8.4131  3463.29  618.815  3361.45  769.404  3649.85  1041.33   89.777   10.770   92.727   14.290 -2.949722 17.89374 
1 1 1   48   14   15 o  126.156   9.8501  6584.08  1000.99  9655.50  1352.77  2867.33  1488.11  152.602   10.991   80.110   22.140 72.49255 24.71823 
1 1 1   48   14   16 o   61.699   8.8298  1595.20  429.736  1613.02  489.352  1535.14  898.388   61.766   10.107   59.423   17.463 2.342762 20.17737 
1 1 1   48   14   17 o   20.872   9.4253 -174.9781  339.827 -100.4695  366.702 -628.1229  904.334   22.889   10.097   32.271   14.876 -9.381889 17.97901 
1 1 1   48   14   18 o   82.974   9.2286  2885.38  611.217  3060.98  720.991  2436.81  1152.36   85.058   10.675   72.954   19.195 12.10326 21.96308 
1 1 1   48   14   19 o   88.713   9.7456  3325.37  690.427  3207.35  820.432  3611.79  1278.11   86.235   12.046   88.483   18.390 -2.247360 21.98404 
1 1 1   48   14   20 o   70.071   11.208  2138.90  616.205  2007.36  696.681  2611.61  1320.73   66.970   13.281   72.517   21.135 -5.546509 24.96154 
1 1 1   48   16    0 o  126.404   22.394  6771.19  2214.25   0.0000   0.0000  6771.19  2214.25  ?   ?   126.404   22.394 0.000000 22.39357 
1 1 1   48   16    1 o  348.694   28.824 50895.42  8087.80   0.0000   0.0000 50895.42  8087.80  ?   ?   348.694   28.824 0.000000 28.82428 
1 1 1   48   16    2 o  347.867   28.515 50631.43  7983.56   0.0000   0.0000 50631.43  7983.56  ?   ?   347.867   28.515 0.000000 28.51543 
1 1 1   48   16    3 o  468.023   25.401 90926.34  9616.79 91143.05 13964.68 90730.88 13262.84  462.688   37.493  462.698   35.575 -0.1074219E-01 51.68474 
1 1 1   48   16    4 o  524.549   28.191 114798.40 11962.81 111215.60 17279.42 118096.30 16578.30  507.865   42.287  525.608   39.126 -17.74350 57.61089 
1 1 1   48   16    5 o  519.399   19.320 110868.10  8147.98 133375.30 14805.00 101088.90  9758.85  562.615   32.547  494.216   24.319 68.39926 40.62937 
1 1 1   48   16    6 o  583.912   21.657 140722.50 10268.04 165492.30 18517.97 129725.60 12338.57  622.770   36.784  557.988   27.233 64.78192 45.76813 
1 1 1   48   16    7 o  399.137   15.936 65329.79  5164.57 80514.94  9713.25 59344.81  6097.99  438.042   27.448  378.865   19.892 59.17734 33.89828 
1 1 1   48   16    8 f  547.094   21.347 124112.80  9482.92 143760.50 17259.83 115617.40 11349.37  575.787   37.116  524.311   26.748 51.47589 45.74954 
1 1 1   48   16    9 o  310.830   19.060 40191.27  4787.15 43591.94  7375.89 37716.20  6292.53  318.986   28.788  297.861   26.288 21.12427 38.98442 
1 1 1   48   16   10 o  250.812   13.056 25917.24  2649.72 27242.40  5608.62 25536.48  3006.39  250.816   28.019  248.387   14.977 2.428589 31.77019 
1 1 1   48   16   11 o  136.551   11.638  7710.78  1278.06  8314.84  3912.64  7638.63  1352.24  133.683   35.463  135.738   12.406 -2.054459 37.57032 
1 1 1   48   16   12 o  202.912   12.507 17034.30  2050.58 25101.28  5187.04 15540.04  2232.44  238.888   27.228  193.203   14.333 45.68524 30.77009 
1 1 1   48   16   13 o  100.437   19.103  4390.30  1500.94  2906.52  4025.86  4629.84  1617.57   91.671   36.341  102.883   20.084 -11.21191 41.52180 
1 1 1   48   16   14 o  103.592   19.585  4705.25  1586.97  7150.02  3765.80  4177.33  1749.95  120.834   35.820   96.448   22.720 24.38691 42.41805 
1 1 1   48   16   15 o   38.371   11.189  621.253  370.090  610.785  383.254  765.843  1424.35   38.186   11.452   53.989   21.549 -15.80239 24.40269 
1 1 1   48   16   16 o   81.648   8.7928  2775.05  573.731  2923.45  685.889  2429.30  1046.95   83.445   10.345   73.882   17.687 9.563560 20.49030 
1 1 1   48   16   17 o  170.855   10.496 12185.99  1449.08 13543.87  1950.20 10512.13  2165.24  178.558   13.552  154.889   17.525 23.66948 22.15376 
1 1 1   48   16   18 o   17.155   8.1355 -360.9061  304.375 -419.4639  324.366   70.700  880.618   17.344   8.2740   37.606   16.122 -20.26247 18.12134 
1 1 1   48   16   19 o   39.095   12.408  652.173  442.422  543.844  470.499  1479.43  1300.18   36.939   12.828   58.071   21.198 -21.13254 24.77698 
1 1 1   48   18    0 o  237.521   24.491 23609.74  4655.53   0.0000   0.0000 23609.74  4655.53  ?   ?   237.521   24.491 0.000000 24.49090 
1 1 1   48   18    1 o  285.501   26.147 34132.21  5994.06   0.0000   0.0000 34132.21  5994.06  ?   ?   285.501   26.147 0.000000 26.14723 
1 1 1   48   18    2 o  434.574   34.484 80268.84 12067.91   0.0000   0.0000 80268.84 12067.91  ?   ?   434.574   34.484 0.000000 34.48355 
1 1 1   48   18    3 o  342.700   20.693 48574.79  5730.97 48856.30  8506.60 48340.83  7755.05  339.789   31.180  339.133   28.425 0.6557007 42.19236 
1 1 1   48   18    4 o  295.195   14.163 35642.75  3394.82 31736.12  6659.52 37014.38  3946.03  273.356   30.525  300.041   16.258 -26.68451 34.58460 
1 1 1   48   18    5 o  329.316   13.533 44353.89  3618.70 50612.63  7873.27 42677.63  4074.57  346.517   28.228  322.654   15.553 23.86295 32.22919 
1 1 1   48   18    6 o  166.065   10.539 11296.95  1413.77 16903.06  3396.32 10121.95  1554.88  200.988   21.128  156.889   12.304 44.09862 24.44947 
1 1 1   48   18    7 o  319.086   14.293 41784.39  3703.09 48664.94  7365.79 39457.11  4283.83  338.769   27.002  308.893   17.147 29.87659 31.98668 
1 1 1   48   18    8 o  121.112   10.694  6044.23  1040.88 10349.86  2836.74  5374.34  1118.93  155.500   23.175  113.863   12.298 41.63668 26.23609 
1 1 1   48   18    9 o  348.808   20.897 51200.05  5891.17 59288.96  9222.67 45624.64  7656.85  367.747   31.180  323.634   29.460 44.11252 42.89660 
1 1 1   48   18   10 o  143.754   11.684  8545.11  1351.95  7412.98  4159.96  8678.81  1429.56  125.729   37.735  144.747   12.279 -19.01792 39.68221 
1 1 1   48   18   11 f  188.598   12.431 14726.23  1892.99 18407.24  5187.97 14160.88  2033.16  200.380   33.038  184.554   13.665 15.82654 35.75241 
1 1 1   48   18   12 o  213.359   13.151 18916.31  2267.21 17366.94  5604.84 19219.43  2479.09  189.758   37.705  214.618   14.308 -24.85962 40.32895 
1 1 1   48   18   13 o  297.402   15.596 37149.84  3753.11 39311.16  8580.40 36638.50  4173.54  284.015   38.174  294.035   17.561 -10.02057 42.01954 
1 1 1   48   18   14 o   38.132   15.905  167.059  819.176 -728.7701  3702.34  213.172  839.995   69.065   31.157   39.086   16.188 29.97861 35.11106 
1 1 1   48   18   15 o   58.548   21.833  1255.71  1391.95  8153.45  5127.25  706.883  1446.26  121.127   42.331   53.372   21.568 67.75459 47.50880 
1 1 1   48   18   16 o   69.573   23.548  2148.33  1582.82  4668.13  4794.83  1840.16  1676.82   97.395   39.302   66.500   24.104 30.89442 46.10484 
1 1 1   48   18   17 o   72.789   19.828  2458.67  1203.67   0.0000   0.0000  2458.67  1203.67  ?   ?    72.789   19.828 0.000000 19.82808 
1 1 1   48   18   18 o   44.527   18.479  429.835  1097.82   0.0000   0.0000  429.835  1097.82  ?   ?    44.527   18.479 0.000000 18.47949 
1 1 1   48   18   19 o   57.358   20.868  1508.94  1258.48   0.0000   0.0000  1508.94  1258.48  ?   ?    57.358   20.868 0.000000 20.86752 
1 1 1   48   20    0 o   74.642   13.081  2343.64  763.871   0.0000   0.0000  2343.64  763.871  ?   ?    74.642   13.081 0.000000 13.08056 
1 1 1   48   20    1 o  274.447   15.944 31008.24  3537.60   0.0000   0.0000 31008.24  3537.60  ?   ?   274.447   15.944 0.000000 15.94369 
1 1 1   48   20    2 o  272.256   16.393 30549.65  3607.05   0.0000   0.0000 30549.65  3607.05  ?   ?   272.256   16.393 0.000000 16.39326 
1 1 1   48   20    3 o   62.788   10.144  1648.47  499.510   0.0000   0.0000  1648.47  499.510  ?   ?    62.788   10.144 0.000000 10.14357 
1 1 1   48   20    4 o  120.801   8.5217  5974.93  830.498  4674.90  2698.81  6110.91  872.854  103.792   30.201  122.133   8.8621 -18.34055 31.47471 
1 1 1   48   20    5 o  164.043   10.238 11030.51  1356.83 13653.42  3665.91 10614.16  1460.56  178.397   26.078  160.742   11.262 17.65489 28.40585 
1 1 1   48   20    6 o  176.243   10.526 12744.00  1499.50 14435.04  3926.84 12455.33  1622.44  182.545   27.334  174.044   11.546 8.501663 29.67282 
1 1 1   48   20    7 o  333.718   14.465 45911.32  3919.61 60023.32  8250.77 41798.26  4454.33  373.470   27.399  316.912   17.377 56.55771 32.44496 
1 1 1   48   20    8 o   71.604   13.559  2180.84  759.470  500.897  3606.39  2258.80  776.893   76.566   32.720   72.889   13.628 3.677361 35.44466 
1 1 1   48   20    9 o  262.882   13.681 28629.74  2910.14 35926.27  6560.59 26842.38  3247.07  285.384   28.702  253.655   15.845 31.72847 32.78480 
1 1 1   48   20   10 o  178.643   12.605 13238.17  1816.65 13965.35  4848.16 13119.39  1959.40  171.683   35.932  177.495   13.702 -5.811478 38.45557 
1 1 1   48   20   11 o   57.382   17.195  1403.51  864.304  6063.96  4146.25  1191.79  883.717  112.847   38.113   53.923   17.578 58.92404 41.97110 
1 1 1   48   20   12 o   52.037   17.313  1097.34  855.716 -2388.3491  3732.09  1290.75  879.137   63.563   29.615   55.409   17.481 8.153576 34.38939 
1 1 1   48   20   13 o  197.529   13.419 16351.45  2139.42 20311.73  6115.78 15799.25  2283.71  199.572   39.139  193.580   14.637 5.992249 41.78697 
1 1 1   48   20   14 o  246.685   14.955 25783.22  2981.43 25086.51  8332.31 25885.51  3192.82  202.934   50.711  246.403   16.046 -43.46843 53.18861 
1 1 1   48   20   15 o  113.285   15.501  5561.34  1388.46  9089.68  6454.14  5390.13  1421.75  119.783   46.448  111.174   16.228 8.608734 49.20098 
1 1 1   48   20   16 o  131.368   15.511  7527.72  1622.59  4778.38  7373.95  7667.62  1663.35   97.589   44.003  132.440   15.778 -34.85094 46.74586 
1 1 1   48   20   17 o   63.676   23.711  1783.01  1640.56   0.0000   0.0000  1783.01  1640.56  ?   ?    63.676   23.711 0.000000 23.71109 
1 1 1   48   20   18 o  101.097   27.404  5651.29  2305.89   0.0000   0.0000  5651.29  2305.89  ?   ?   101.097   27.404 0.000000 27.40420 
1 1 1   48   22    0 o  167.095   14.540 11556.75  1953.04   0.0000   0.0000 11556.75  1953.04  ?   ?   167.095   14.540 0.000000 14.53992 
1 1 1   48   22    1 o  208.364   15.645 17975.81  2627.53   0.0000   0.0000 17975.81  2627.53  ?   ?   208.364   15.645 0.000000 15.64477 
1 1 1   48   22    2 o  379.561   17.270 59564.92  5322.52   0.0000   0.0000 59564.92  5322.52  ?   ?   379.561   17.270 0.000000 17.27020 
1 1 1   48   22    3 o  161.346   10.698 10694.42  1393.54   0.0000   0.0000 10694.42  1393.54  ?   ?   161.346   10.698 0.000000 10.69776 
1 1 1   48   22    4 o  157.349   10.510 10175.74  1335.10 13915.99  4521.02  9818.40  1397.43  176.163   32.814  154.416   11.222 21.74637 34.68034 
1 1 1   48   22    5 o  131.842   10.791  7168.40  1145.10  5515.91  4111.96  7307.33  1192.27  111.919   37.954  133.054   11.138 -21.13507 39.55498 
1 1 1   48   22    6 o   70.393   12.797  2101.49  704.492  4536.12  3586.48  2003.78  718.490  102.569   35.428   68.582   13.383 33.98703 37.87185 
1 1 1   48   22    7 o  205.122   12.585 17404.97  2085.97 21742.00  5190.17 16569.45  2278.05  220.739   29.712  199.630   14.146 21.10826 32.90786 
1 1 1   48   22    8 o  174.774   19.713 13051.48  2748.66 18352.54  5578.64 11351.99  3158.69  197.432   36.131  160.442   25.066 36.98950 43.97472 
1 1 1   48   22    9 o  109.454   13.054  5026.00  1137.30  5506.10  4781.91  4997.21  1170.90  110.269   40.591  109.012   13.518 1.257019 42.78337 
1 1 1   48   22   10 o   48.269   16.174  929.037  746.622  3936.35  4558.68  846.145  756.842   99.119   38.868   46.953   16.272 52.16595 42.13659 
1 1 1   48   22   11 o  128.578   14.073  6977.61  1445.25  4134.14  5570.29  7182.84  1496.50  102.558   41.997  130.368   14.376 -27.81015 44.38959 
1 1 1   48   22   12 o  109.360   15.289  5125.03  1320.53  8503.98  4932.24  4864.12  1370.56  125.558   41.556  106.066   16.447 19.49206 44.69176 
1 1 1   48   22   13 o  113.374   15.817  5550.76  1416.36  3753.80  5399.54  5683.54  1467.75   96.575   40.597  114.569   16.232 -17.99349 43.72130 
1 1 1   48   22   14 o   89.324   17.968  3569.90  1258.04 -2153.3840  6883.63  3767.67  1279.59   81.524   38.670   91.900   17.791 -10.37650 42.56612 
1 1 1   48   22   15 o  116.198   17.550  6024.39  1604.22 17464.59  7852.96  5526.19  1638.78  146.677   52.284  110.398   18.965 36.27882 55.61752 
1 1 1   48   22   16 o   86.384   20.517  3557.33  1417.73   0.0000   0.0000  3557.33  1417.73  ?   ?    86.384   20.517 0.000000 20.51748 
1 1 1   48   22   17 o   63.501   21.972  1949.09  1379.67   0.0000   0.0000  1949.09  1379.67  ?   ?    63.501   21.972 0.000000 21.97152 
1 1 1   48   24    0 o  258.824   18.034 28085.34  3766.36   0.0000   0.0000 28085.34  3766.36  ?   ?   258.824   18.034 0.000000 18.03441 
1 1 1   48   24    1 o  153.138   15.908  9829.14  1949.14   0.0000   0.0000  9829.14  1949.14  ?   ?   153.138   15.908 0.000000 15.90756 
1 1 1   48   24    2 o  121.038   10.230  6045.56  995.931   0.0000   0.0000  6045.56  995.931  ?   ?   121.038   10.230 0.000000 10.22952 
1 1 1   48   24    3 o  197.770   10.779 16099.58  1724.36   0.0000   0.0000 16099.58  1724.36  ?   ?   197.770   10.779 0.000000 10.77882 
1 1 1   48   24    4 o  231.723   13.793 22286.46  2583.41   0.0000   0.0000 22286.46  2583.41  ?   ?   231.723   13.793 0.000000 13.79285 
1 1 1   48   24    5 o   86.773   11.076  3144.42  762.602 -1565.6840  4196.60  3305.27  775.514   71.907   32.729   89.023   10.960 -17.11610 34.51523 
1 1 1   48   24    6 o  173.073   11.568 12396.00  1616.26  8240.78  5468.18 12793.77  1691.85  128.668   43.768  175.735   11.927 -47.06740 45.36362 
1 1 1   48   24    7 o  165.089   18.257 11630.88  2406.30 12630.65  5154.71 11352.30  2720.97  158.923   39.982  161.728   21.234 -2.805099 45.27026 
1 1 1   48   24    8 o  176.214   13.488 12975.92  1915.26 11117.25  5959.89 13189.97  2022.54  143.909   45.528  177.415   14.158 -33.50623 47.67904 
1 1 1   48   24    9 o  167.001   13.324 11676.80  1791.74 12984.99  5763.17 11536.82  1885.16  155.450   43.790  165.673   14.150 -10.22261 46.01925 
1 1 1   48   24   10 o  143.131   14.009  8647.36  1607.21 12267.94  6471.43  8409.36  1659.19  145.349   47.576  140.852   14.725 4.496857 49.80241 
1 1 1   48   24   11 o   44.403   17.559  520.845  937.666  3372.48  5962.23  448.527  949.481   97.670   41.913   43.700   17.540 53.97026 45.43552 
1 1 1   48   24   12 o   45.280   17.955  550.249  982.902  2300.40  6382.77  507.738  994.767   93.123   41.543   44.943   17.984 48.17938 45.26849 
1 1 1   48   24   13 o   70.013   20.489  2242.86  1238.99 -1888.4410  7170.65  2370.00  1257.91   82.460   39.216   71.839   20.536 10.62081 44.26794 
1 1 1   48   24   14 o   98.199   19.762  4451.31  1521.16   0.0000   0.0000  4451.31  1521.16  ?   ?    98.199   19.762 0.000000 19.76202 
1 1 1   48   24   15 o  104.505   20.164  5152.07  1649.01   0.0000   0.0000  5152.07  1649.01  ?   ?   104.505   20.164 0.000000 20.16389 
1 1 1   48   24   16 o   75.124   22.700  2884.24  1501.65   0.0000   0.0000  2884.24  1501.65  ?   ?    75.124   22.700 0.000000 22.69964 
1 1 1   48   26    0 o   45.609   16.478  740.981  782.763   0.0000   0.0000  740.981  782.763  ?   ?    45.609   16.478 0.000000 16.47813 
1 1 1   48   26    1 o   67.216   18.034  1970.72  1004.69   0.0000   0.0000  1970.72  1004.69  ?   ?    67.216   18.034 0.000000 18.03425 
1 1 1   48   26    2 o  200.301   18.387 17074.17  2957.00   0.0000   0.0000 17074.17  2957.00  ?   ?   200.301   18.387 0.000000 18.38677 
1 1 1   48   26    3 o  433.172   18.959 79553.71  6668.38   0.0000   0.0000 79553.71  6668.38  ?   ?   433.172   18.959 0.000000 18.95929 
1 1 1   48   26    4 o  280.128   13.411 32589.90  3050.33   0.0000   0.0000 32589.90  3050.33  ?   ?   280.128   13.411 0.000000 13.41069 
1 1 1   48   26    5 o   44.912   19.083  115.986  1214.01  3905.57  4735.03 -150.6520  1255.99   99.294   39.397   43.317   18.909 55.97729 43.69978 
1 1 1   48   26    6 o   38.588   18.007 -1186.8621  1388.61 -5138.3179  4625.94 -795.5483  1455.74   63.578   30.573   42.096   19.205 21.48252 36.10470 
1 1 1   48   26    7 f  123.748   12.314  6416.75  1220.89 10264.88  5126.60  6185.38  1257.05  138.583   41.957  121.272   12.967 17.31063 43.91510 
1 1 1   48   26    8 o   33.912   14.441   33.479  698.043  5874.60  4374.07 -119.1698  707.106  108.315   38.977   32.380   14.160 75.93542 41.46951 
1 1 1   48   26    9 o   31.784   14.232 -289.3636  756.678  2653.80  5614.02 -343.8204  763.646   93.435   40.387   31.440   14.170 61.99476 42.80043 
1 1 1   48   26   10 o   87.099   17.231  3355.67  1175.43 11473.54  7221.45  3134.75  1191.32  132.170   49.642   83.825   18.038 48.34509 52.81779 
1 1 1   48   26   11 o   79.006   19.871  2854.35  1273.47  9379.73  7731.86  2672.39  1291.10  118.127   49.035   76.309   20.431 41.81826 53.12081 
1 1 1   48   26   12 o  137.171   16.009  8223.78  1749.53 11355.31  8856.31  8096.61  1784.70  118.243   50.918  135.785   16.528 -17.54269 53.53365 
1 1 1   48   26   13 o   66.047   20.604  2031.64  1224.97   0.0000   0.0000  2031.64  1224.97  ?   ?    66.047   20.604 0.000000 20.60410 
1 1 1   48   26   14 o  127.546   17.293  7405.49  1744.73   0.0000   0.0000  7405.49  1744.73  ?   ?   127.546   17.293 0.000000 17.29299 
1 1 1   48   26   15 o   67.216   23.186  2294.26  1535.84   0.0000   0.0000  2294.26  1535.84  ?   ?    67.216   23.186 0.000000 23.18601 
1 1 1   48   28    0 o  223.260   19.693 21577.87  3533.38   0.0000   0.0000 21577.87  3533.38  ?   ?   223.260   19.693 0.000000 19.69307 
1 1 1   48   28    1 o  115.924   21.080  5971.56  1911.10   0.0000   0.0000  5971.56  1911.10  ?   ?   115.924   21.080 0.000000 21.07995 
1 1 1   48   28    2 o  106.180   24.919  5186.85  2111.52   0.0000   0.0000  5186.85  2111.52  ?   ?   106.180   24.919 0.000000 24.91936 
1 1 1   48   28    3 o  186.966   21.150 15338.41  3154.26   0.0000   0.0000 15338.41  3154.26  ?   ?   186.966   21.150 0.000000 21.14956 
1 1 1   48   28    4 o  149.448   12.002  9334.21  1444.07   0.0000   0.0000  9334.21  1444.07  ?   ?   149.448   12.002 0.000000 12.00152 
1 1 1   48   28    5 o  133.303   11.787  7436.42  1262.69   0.0000   0.0000  7436.42  1262.69  ?   ?   133.303   11.787 0.000000 11.78739 
1 1 1   48   28    6 o  151.641   12.662  9662.43  1544.82 10286.79  7328.22  9633.40  1580.33  129.060   49.647  151.278   12.992 -22.21822 51.31864 
1 1 1   48   28    7 o  115.767   13.089  5681.79  1208.77  7666.56  5941.39  5596.09  1234.59  116.038   44.685  114.725   13.512 1.312614 46.68317 
1 1 1   48   28    8 o  117.836   14.375  5951.09  1346.92  1747.39  7577.16  6088.26  1368.72   94.879   43.485  119.176   14.439 -24.29662 45.81964 
1 1 1   48   28    9 o   61.827   18.869  1702.45  1033.80 -864.0508  7283.06  1755.23  1044.38   85.649   40.370   62.674   18.929 22.97567 44.58719 
1 1 1   48   28   10 o  108.543   16.745  5213.79  1428.28 10685.50  7003.00  4976.31  1458.95  120.690   47.904  105.530   17.650 15.15990 51.05163 
1 1 1   48   28   11 o  121.197   17.749  6603.43  1694.92   0.0000   0.0000  6603.43  1694.92  ?   ?   121.197   17.749 0.000000 17.74948 
1 1 1   48   28   12 o   74.771   21.536  2714.77  1378.61   0.0000   0.0000  2714.77  1378.61  ?   ?    74.771   21.536 0.000000 21.53616 
1 1 1   48   28   13 o   41.150   18.006   45.047  1144.78   0.0000   0.0000   45.047  1144.78  ?   ?    41.150   18.006 0.000000 18.00565 
1 1 1   48   28   14 o   55.070   21.616  1291.26  1411.29   0.0000   0.0000  1291.26  1411.29  ?   ?    55.070   21.616 0.000000 21.61642 
1 1 1   48   30    0 o   57.685   22.222  1134.74  1469.72   0.0000   0.0000  1134.74  1469.72  ?   ?    57.685   22.222 0.000000 22.22155 
1 1 1   48   30    1 o  168.118   23.767 12909.32  3153.92   0.0000   0.0000 12909.32  3153.92  ?   ?   168.118   23.767 0.000000 23.76709 
1 1 1   48   30    2 o  134.745   24.781  8438.66  2611.37   0.0000   0.0000  8438.66  2611.37  ?   ?   134.745   24.781 0.000000 24.78129 
1 1 1   48   30    3 o  107.278   10.261  4812.18  882.920   0.0000   0.0000  4812.18  882.920  ?   ?   107.278   10.261 0.000000 10.26132 
1 1 1   48   30    4 o   22.684   9.4171   55.803  285.216   0.0000   0.0000   55.803  285.216  ?   ?    22.684   9.4171 0.000000 9.417054 
1 1 1   48   30    5 o  187.255   13.910 14905.56  2099.81   0.0000   0.0000 14905.56  2099.81  ?   ?   187.255   13.910 0.000000 13.90984 
1 1 1   48   30    6 o   50.601   14.737  1116.79  642.366  506.916  7948.43  1120.79  644.474   90.689   42.565   50.687   14.761 40.00187 45.05220 
1 1 1   48   30    7 o  150.574   13.359  9675.72  1616.27 11436.46  8023.60  9601.25  1650.09  121.611   50.171  149.792   13.719 -28.18100 52.01334 
1 1 1   48   30    8 o  132.347   14.034  7559.26  1485.14   0.0000   0.0000  7559.26  1485.14  ?   ?   132.347   14.034 0.000000 14.03432 
1 1 1   48   30    9 o   97.800   17.086  4314.91  1307.41   0.0000   0.0000  4314.91  1307.41  ?   ?    97.800   17.086 0.000000 17.08577 
1 1 1   48   30   10 o   97.193   18.652  4390.34  1418.45   0.0000   0.0000  4390.34  1418.45  ?   ?    97.193   18.652 0.000000 18.65210 
1 1 1   48   30   11 o  106.009   19.803  5368.35  1641.86   0.0000   0.0000  5368.35  1641.86  ?   ?   106.009   19.803 0.000000 19.80285 
1 1 1   48   30   12 f   71.190   21.458  2584.00  1343.12   0.0000   0.0000  2584.00  1343.12  ?   ?    71.190   21.458 0.000000 21.45837 
1 1 1   48   32    0 o   42.936   19.822 -911.9036  1614.84   0.0000   0.0000 -911.9036  1614.84  ?   ?    42.936   19.822 0.000000 19.82212 
1 1 1   48   32    1 o  147.546   26.940 10660.15  3108.59   0.0000   0.0000 10660.15  3108.59  ?   ?   147.546   26.940 0.000000 26.94036 
1 1 1   48   32    2 o   46.174   21.485 -1207.4600  1954.09   0.0000   0.0000 -1207.4600  1954.09  ?   ?    46.174   21.485 0.000000 21.48502 
1 1 1   48   32    3 o   69.402   10.114  2047.14  553.197   0.0000   0.0000  2047.14  553.197  ?   ?    69.402   10.114 0.000000 10.11411 
1 1 1   48   32    4 o   98.704   10.939  4130.88  861.952   0.0000   0.0000  4130.88  861.952  ?   ?    98.704   10.939 0.000000 10.93897 
1 1 1   48   32    5 o   96.650   11.315  3980.82  871.176   0.0000   0.0000  3980.82  871.176  ?   ?    96.650   11.315 0.000000 11.31528 
1 1 1   48   32    6 o  106.610   12.597  4898.62  1069.37   0.0000   0.0000  4898.62  1069.37  ?   ?   106.610   12.597 0.000000 12.59696 
1 1 1   48   32    7 o   55.530   15.590  1397.59  731.774   0.0000   0.0000  1397.59  731.774  ?   ?    55.530   15.590 0.000000 15.59024 
1 1 1   48   32    8 o  173.628   15.090 13357.82  2106.29   0.0000   0.0000 13357.82  2106.29  ?   ?   173.628   15.090 0.000000 15.09041 
1 1 1   48   32    9 o   63.556   19.395  1951.10  1092.30   0.0000   0.0000  1951.10  1092.30  ?   ?    63.556   19.395 0.000000 19.39491 
1 1 1   48   32   10 o   36.500   15.976   16.992  901.701   0.0000   0.0000   16.992  901.701  ?   ?    36.500   15.976 0.000000 15.97551 
1 1 1   48   34    0 o  107.583   29.827  6439.32  2696.14   0.0000   0.0000  6439.32  2696.14  ?   ?   107.583   29.827 0.000000 29.82676 
1 1 1   48   34    1 o   57.239   27.673 -3024.4460  3914.57   0.0000   0.0000 -3024.4460  3914.57  ?   ?    57.239   27.673 0.000000 27.67314 
1 1 1   48   34    2 o   88.996   39.282  5108.54  5557.83   0.0000   0.0000  5108.54  5557.83  ?   ?    88.996   39.282 0.000000 39.28233 
1 1 1   48   34    3 o   45.673   23.012 -9029.2197  3937.72   0.0000   0.0000 -9029.2197  3937.72  ?   ?    45.673   23.012 0.000000 23.01171 
1 1 1   48   34    4 f   56.749   10.891  1407.92  483.602   0.0000   0.0000  1407.92  483.602  ?   ?    56.749   10.891 0.000000 10.89137 
1 1 1   48   34    5 o   17.549   8.3160 -362.5286  316.832   0.0000   0.0000 -362.5286  316.832  ?   ?    17.549   8.3160 0.000000 8.316012 
1 1 1   48   34    6 o   45.196   13.995  912.027  566.349   0.0000   0.0000  912.027  566.349  ?   ?    45.196   13.995 0.000000 13.99520 
1 1 1   48   34    7 o   84.555   15.535  3309.19  1027.24   0.0000   0.0000  3309.19  1027.24  ?   ?    84.555   15.535 0.000000 15.53463 
1 1 1   48   34    8 o   35.289   15.262   95.853  802.589   0.0000   0.0000   95.853  802.589  ?   ?    35.289   15.262 0.000000 15.26194 
1 1 1   48   36    0 o  105.607   34.247  7976.40  3356.45   0.0000   0.0000  7976.40  3356.45  ?   ?   105.607   34.247 0.000000 34.24739 
1 1 1   48   36    1 o  104.319   35.910  8340.69  3683.13   0.0000   0.0000  8340.69  3683.13  ?   ?   104.319   35.910 0.000000 35.91007 
1 1 1   48   36    2 f   88.745   34.257  6017.75  3498.43   0.0000   0.0000  6017.75  3498.43  ?   ?    88.745   34.257 0.000000 34.25669 
1 1 1   48   36    3 o   56.048   26.363 -208.8827  3076.92   0.0000   0.0000 -208.8827  3076.92  ?   ?    56.048   26.363 0.000000 26.36294 
1 1 1   48   36    4 o   32.350   11.338  420.387  367.986   0.0000   0.0000  420.387  367.986  ?   ?    32.350   11.338 0.000000 11.33844 
1 1 1   48   36    5 o  102.764   12.068  4707.11  987.837   0.0000   0.0000  4707.11  987.837  ?   ?   102.764   12.068 0.000000 12.06850 
1 1 1   49    1    0 o  726.575   36.051 219130.30 21268.46 216043.70 30070.23 222220.09 30086.05  711.141   52.447  721.799   51.677 -10.65765 73.62832 
1 1 1   49    1    1 o  672.807   33.305 187330.00 18194.36 179018.80 25714.81 195661.80 25746.63  648.879   49.172  679.860   46.928 -30.98132 67.97155 
1 1 1   49    1    2 o  448.528   23.009 82647.67  8351.34 89509.27 11783.22 75721.98 11838.13  464.509   31.426  426.109   34.512 38.39926 46.67649 
1 1 1   49    1    3 o  1055.89   37.113 463805.09 31819.04 445674.81 44980.07 481965.81 45017.79  1019.70   54.524  1063.98   52.109 -44.28345 75.42005 
1 1 1   49    1    4 o  379.667   15.090 58766.89  4652.00 56759.16  6565.54 60791.07  6592.40  371.648   21.853  384.802   21.181 -13.15396 30.43339 
1 1 1   49    1    5 o  344.683   15.072 48443.79  4218.35 53735.01  7108.99 45568.24  5240.70  360.956   24.399  333.260   19.452 27.69608 31.20390 
1 1 1   49    1    6 o   30.510   10.081  359.599  290.298  694.383  402.314  -4.0530  419.301   40.803   11.596   26.327   11.201 14.47577 16.12285 
1 1 1   49    1    7 o  516.227   19.011 109039.10  7968.45 105472.40 11266.07 112609.70 11272.11  504.831   27.589  521.995   26.684 -17.16315 38.38226 
1 1 1   49    1    8 o  204.568   9.2105 17023.42  1529.88 17163.90  2165.30 16883.39  2161.85  204.790   13.090  203.091   13.181 1.699234 18.57680 
1 1 1   49    1    9 o  576.011   20.501 136156.41  9588.34 141116.50 13562.85 131200.50 13557.06  583.453   28.629  561.342   29.851 22.11041 41.36089 
1 1 1   49    1   10 o  137.236   10.126  7709.97  1120.35  7949.94  1312.56  7065.90  2150.40  139.175   11.724  129.482   21.187 9.692856 24.21424 
1 1 1   49    1   11 o   27.227   12.161 -234.5819  548.667 -2962.0901  1137.24  592.885  626.390   26.446   13.184   41.298   14.762 -14.85163 19.79178 
1 1 1   49    1   12 o  448.807   16.488 82716.35  6008.33 81679.01  8511.42 83746.73  8482.78  442.691   23.766  448.461   23.377 -5.770172 33.33591 
1 1 1   49    1   13 o  106.609   9.4881  4674.13  812.731  4287.95  1148.75  5061.16  1150.00  101.199   14.385  110.362   13.088 -9.163094 19.44825 
1 1 1   49    1   14 o  269.080   11.643 29690.59  2543.90 31317.06  3610.90 28087.83  3584.47  274.602   16.267  259.703   17.094 14.89883 23.59719 
1 1 1   49    1   15 o  268.243   11.921 29586.27  2596.52 29960.31  3688.61 29218.89  3655.69  267.668   17.061  264.293   17.127 3.374969 24.17466 
1 1 1   49    1   16 o  100.532   10.810  4200.85  868.576  4171.60  1233.87  4229.57  1222.91   98.885   15.907   99.663   15.626 -0.7777786 22.29761 
1 1 1   49    1   17 f  135.804   10.486  7636.75  1147.37  6698.50  1644.91  8525.83  1601.23  125.281   16.577  142.486   14.022 -17.20498 21.71234 
1 1 1   49    1   18 f   77.671   14.466  2603.22  878.765  4118.72  1237.11  1059.71  1248.49   97.604   16.177   55.144   20.655 42.46016 26.23554 
1 1 1   49    1   19 o   66.355   14.955  1933.25  786.447  2792.05  1097.92  1028.26  1127.06   79.201   17.536   53.090   19.676 26.11187 26.35598 
1 1 1   49    1   20 o  152.158   11.628  9769.46  1425.73 11368.63  2050.32  8272.21  1983.90  161.700   15.819  136.140   18.420 25.56044 24.28036 
1 1 1   49    1   21 o   58.508   17.120  1567.06  865.088  178.697  1277.35  2743.41  1175.79   44.747   19.303   76.326   19.036 -31.57911 27.11079 
1 1 1   49    3    0 o   92.793   11.001  3552.20  812.734  4739.89  1081.28  2009.78  1232.22  107.158   12.673   69.546   20.456 37.61155 24.06360 
1 1 1   49    3    1 o  612.227   30.426 154683.80 15124.99 153744.80 21319.86 155635.20 21460.76  603.724   43.790  607.434   43.806 -3.709778 61.93933 
1 1 1   49    3    2 o  802.904   39.271 268961.00 25602.20 257445.80 36102.70 280610.19 36312.17  771.545   58.054  807.586   55.717 -36.04010 80.46568 
1 1 1   49    3    3 o  403.131   18.165 66375.03  5945.78 80314.36  9997.94 58747.51  7395.73  440.764   28.082  377.628   24.248 63.13663 37.10251 
1 1 1   49    3    4 o  364.851   16.413 54316.23  4862.43 62520.97  8140.07 49764.42  6063.00  389.154   25.909  347.944   21.567 41.20987 33.71087 
1 1 1   49    3    5 o  514.583   18.938 108255.90  7912.59 109823.20 11156.28 106669.60 11224.20  515.855   26.727  508.195   27.301 7.660431 38.20561 
1 1 1   49    3    6 o  455.547   17.685 84794.80  6541.50 91998.07  9243.59 77568.12  9258.60  472.594   24.170  433.217   26.448 39.37643 35.82803 
1 1 1   49    3    7 o  587.115   21.504 141373.80 10251.58 146410.41 14497.12 136336.20 14498.72  593.866   30.164  572.531   31.307 21.33557 43.47376 
1 1 1   49    3    8 o  187.822   8.5308 14346.94  1300.99 13439.57  1828.12 15278.05  1851.88  181.179   12.503  193.305   11.856 -12.12593 17.23060 
1 1 1   49    3    9 o  142.013   9.9810  8249.23  1143.60  8291.16  1346.99  8140.96  2164.30  142.167   11.775  139.578   19.640 2.588440 22.89927 
1 1 1   49    3   10 o  202.033   9.2281 16612.09  1513.82 17819.03  2154.26 15434.71  2127.71  208.621   12.779  193.994   13.594 14.62737 18.65728 
1 1 1   49    3   11 o  204.135   9.9071 16974.49  1642.11 16854.65  2345.02 17089.79  2300.21  202.544   14.352  204.022   13.969 -1.477890 20.02798 
1 1 1   49    3   12 o  261.818   10.784 27971.47  2292.52 30341.03  3278.70 25704.78  3206.74  271.655   14.921  249.756   15.896 21.89941 21.80179 
1 1 1   49    3   13 o  126.091   9.0336  6518.69  918.753  6849.75  1326.61  6213.54  1273.63  128.639   12.874  122.432   13.011 6.207314 18.30361 
1 1 1   49    3   14 o   70.938   11.636  2116.32  647.003  2643.88  937.488  1636.51  894.058   78.732   15.215   61.869   17.184 16.86296 22.95210 
1 1 1   49    3   15 o  260.992   12.011 28020.70  2545.31 27621.97  3621.70 28409.86  3577.94  256.717   17.479  260.586   17.003 -3.868164 24.38479 
1 1 1   49    3   16 o   41.676   14.246  666.360  579.375  940.301  752.802  268.347  907.404   48.641   16.241   41.248   16.928 7.392612 23.45866 
1 1 1   49    3   17 o  165.875   10.469 11373.95  1402.81 12058.55  2005.72 10718.37  1962.73  169.363   14.732  159.369   15.358 9.994156 21.28131 
1 1 1   49    3   18 o   81.555   12.352  2823.21  792.340  3241.88  1093.01  2359.55  1150.25   86.323   16.189   72.808   19.187 13.51563 25.10413 
1 1 1   49    3   19 o  104.959   12.444  4667.70  1039.86  4709.27  1431.80  4621.30  1512.72  103.342   17.700  101.765   19.006 1.577316 25.97173 
1 1 1   49    3   20 o   31.935   13.971 -91.9552  688.939 -140.4271  842.736   5.7098  1196.23   34.840   15.342   42.665   18.542 -7.824551 24.06581 
1 1 1   49    3   21 o  153.300   11.912 10054.09  1471.09  9600.62  2014.86 10571.81  2152.87  145.744   17.368  152.722   17.689 -6.977951 24.78992 
1 1 1   49    5    0 o  366.507   19.577 55075.67  5804.83 55075.67  5804.83   0.0000   0.0000  366.507   19.577  ?   ?  0.000000 19.57691 
1 1 1   49    5    1 o  522.604   37.419 114276.30 15773.10 114276.30 15773.10   0.0000   0.0000  522.604   37.419  ?   ?  0.000000 37.41877 
1 1 1   49    5    2 o  695.027   49.751 206001.50 27890.60 206001.50 27890.60   0.0000   0.0000  695.027   49.751  ?   ?  0.000000 49.75077 
1 1 1   49    5    3 o  714.314   29.028 210441.30 16836.11 216015.80 28738.19 207528.30 20774.47  711.306   50.078  705.341   36.398 5.964661 61.90788 
1 1 1   49    5    4 o  382.499   16.049 59694.63  4984.32 56650.28  8300.49 61411.40  6233.23  369.775   27.850  386.943   19.907 -17.16867 34.23327 
1 1 1   49    5    5 o  618.019   21.073 156458.09 10574.90 159496.50 14920.63 153391.41 14989.93  621.314   29.576  609.040   30.312 12.27417 42.35037 
1 1 1   49    5    6 o  269.430   11.208 29550.59  2451.95 31958.02  3452.12 27099.54  3483.26  279.459   15.271  257.049   16.781 22.40964 22.68964 
1 1 1   49    5    7 o  569.198   21.293 132899.00  9841.07 140405.50 13924.03 125406.80 13910.74  581.573   29.584  548.807   31.347 32.76660 43.10286 
1 1 1   49    5    8 o  293.388   14.359 35124.32  3420.63 35124.32  3420.63   0.0000   0.0000  293.388   14.359  ?   ?  0.000000 14.35903 
1 1 1   49    5    9 o  250.661   10.202 25580.20  2076.32 24817.19  2954.95 26324.31  2918.12  246.066   14.859  253.550   14.232 -7.484650 20.57541 
1 1 1   49    5   10 o  511.028   17.910 107053.60  7431.35 106747.70 10543.76 107355.50 10475.59  507.111   25.691  509.299   25.332 -2.188507 36.07921 
1 1 1   49    5   11 o  122.656   8.5334  6153.38  844.575  5446.50  1195.45  6857.81  1193.38  114.743   13.064  129.155   11.500 -14.41203 17.40453 
1 1 1   49    5   12 o   98.832   11.559  4043.98  910.080  2487.27  2042.46  4429.62  1016.58   79.266   26.750  103.363   12.358 -24.09681 29.46651 
1 1 1   49    5   13 o  244.864   10.727 24518.84  2132.86 24387.48  3051.94 24644.24  2981.91  242.768   15.565  244.178   15.114 -1.409668 21.69572 
1 1 1   49    5   14 o  341.733   13.389 48087.43  3715.05 48314.04  5307.99 47869.83  5201.39  339.456   19.338  338.058   19.027 1.398041 27.12867 
1 1 1   49    5   15 o   67.020   12.624  1909.50  661.763  2858.90  914.648  866.550  958.651   82.009   14.253   49.909   18.204 32.09930 23.12042 
1 1 1   49    5   16 o   17.045   8.5287 -1374.1479  495.862 -1363.4980  665.756 -1387.4160  743.115   21.886   10.759   23.778   11.622 -1.892962 15.83720 
1 1 1   49    5   17 o   84.758   12.210  3032.57  816.062  3751.71  1097.86  2144.60  1219.94   93.667   14.937   69.885   20.297 23.78191 25.20067 
1 1 1   49    5   18 o  196.423   10.985 16022.56  1744.91 18115.47  2439.85 13831.40  2496.46  207.160   14.598  179.458   17.349 27.70236 22.67385 
1 1 1   49    5   19 o   94.655   12.472  3811.85  935.181  4636.63  1238.01  2715.77  1427.17  103.497   15.183   76.857   21.841 26.63934 26.59966 
1 1 1   49    5   20 o   50.346   16.718  1076.99  798.006  413.718  1009.53  2181.76  1302.88   43.603   17.870   68.618   21.224 -25.01423 27.74479 
1 1 1   49    5   21 o   88.435   13.683  3448.60  950.804  3114.40  1255.64  3897.80  1455.71   80.954   19.363   90.162   20.365 -9.207390 28.10117 
1 1 1   49    7    0 o  593.599   43.520 149031.30 20829.88   0.0000   0.0000 149031.30 20829.88  ?   ?   593.599   43.520 0.000000 43.52038 
1 1 1   49    7    1 f  758.002   55.679 248350.50 34028.98   0.0000   0.0000 248350.50 34028.98  ?   ?   758.002   55.679 0.000000 55.67884 
1 1 1   49    7    3 o  699.134   34.063 203009.30 19336.73 203009.30 19336.73   0.0000   0.0000  699.134   34.063  ?   ?  0.000000 34.06313 
1 1 1   49    7    4 o  747.782   35.459 232855.70 21529.97 216562.80 30046.16 250050.30 30866.37  708.978   52.568  764.100   50.027 -55.12201 72.56764 
1 1 1   49    7    5 o  514.225   21.194 108382.80  8849.27 112100.10 14997.39 106397.20 10960.69  517.244   35.932  507.412   26.697 9.832306 44.76474 
1 1 1   49    7    6 o  116.588   9.8222  5569.49  921.159  5285.54  1156.75  6061.65  1522.93  113.175   12.814  120.823   15.911 -7.647102 20.42874 
1 1 1   49    7    7 o  314.957   19.354 40786.05  4925.53 53688.27  6724.60 25851.50  7234.87  360.626   23.086  245.702   37.449 114.9243 43.99318 
1 1 1   49    7    8 o  360.018   13.855 52884.88  4050.22 57514.50  5752.27 48332.95  5703.78  374.158   18.996  342.544   20.603 31.61322 28.02415 
1 1 1   49    7    9 f  300.763   14.155 36934.92  3456.75 37420.30  4275.23 36018.44  5874.61  301.781   17.523  294.289   24.816 7.492889 30.37925 
1 1 1   49    7   10 o  287.605   11.629 33729.48  2715.63 34805.02  3866.06 32681.93  3815.41  291.069   16.425  281.959   16.741 9.110504 23.45281 
1 1 1   49    7   11 o  197.199   9.5440 15845.02  1528.18 15828.25  2172.93 15861.42  2149.61  196.248   13.723  196.483   13.557 -0.2352295 19.29012 
1 1 1   49    7   12 o  164.530   11.089 11110.55  1472.77 14068.31  3099.05 10247.67  1673.87  182.838   21.273  157.615   13.201 25.22327 25.03566 
1 1 1   49    7   13 o  173.587   9.3916 12342.88  1318.79 12781.54  1875.54 11913.90  1854.73  175.897   13.229  169.710   13.573 6.187393 18.95350 
1 1 1   49    7   14 o   69.248   11.033  2014.10  599.540  1870.32  814.685  2183.96  885.489   65.922   15.484   71.262   15.725 -5.339104 22.06851 
1 1 1   49    7   15 o  218.592   10.839 19628.81  1923.79 21398.50  2762.95 17963.50  2680.23  226.519   15.109  207.096   16.065 19.42255 22.05331 
1 1 1   49    7   16 o  132.479   9.7702  7244.38  1043.55  7157.04  1450.27  7338.16  1502.75  130.590   13.890  132.145   14.230 -1.554535 19.88552 
1 1 1   49    7   17 o   94.975   10.806  3768.63  818.511  3504.47  1100.85  4095.22  1224.03   90.192   15.596   97.525   16.013 -7.333168 22.35346 
1 1 1   49    7   18 o  111.263   10.737  5171.29  957.914  4044.90  1263.43  6694.27  1469.11   96.281   16.771  125.303   14.720 -29.02204 22.31428 
1 1 1   49    7   19 o   63.923   15.016  1805.43  766.127  1615.15  957.638  2143.75  1276.93   60.359   18.103   68.776   20.966 -8.416718 27.69982 
1 1 1   49    7   20 o  141.796   10.869  8482.81  1241.81  8019.67  1683.50  9035.55  1839.16  135.195   15.624  143.273   16.087 -8.078323 22.42575 
1 1 1   49    7   21 o  188.727   11.717 15263.22  1786.71 13899.72  2412.80 16918.70  2658.62  174.885   17.215  193.144   17.130 -18.25900 24.28567 
1 1 1   49    9    0 o   49.723   16.549  953.501  781.830   0.0000   0.0000  953.501  781.830  ?   ?    49.723   16.549 0.000000 16.54908 
1 1 1   49    9    1 o  384.901   29.677 61586.47  9203.31   0.0000   0.0000 61586.47  9203.31  ?   ?   384.901   29.677 0.000000 29.67711 
1 1 1   49    9    2 o  337.752   26.563 47271.86  7225.91   0.0000   0.0000 47271.86  7225.91  ?   ?   337.752   26.563 0.000000 26.56284 
1 1 1   49    9    3 o  355.906   19.224 51977.29  5534.81 59017.18  8040.83 45638.20  7630.12  377.603   26.392  331.229   28.653 46.37408 38.95495 
1 1 1   49    9    4 o  348.427   28.754 50502.61  8062.11 50502.61  8062.11   0.0000   0.0000  348.427   28.754  ?   ?  0.000000 28.75385 
1 1 1   49    9    5 o  641.380   22.904 169020.09 11928.16 170444.50 14549.71 166100.41 20830.83  642.230   27.901  626.355   41.189 15.87469 49.74918 
1 1 1   49    9    6 o  520.662   22.931 111462.70  9694.44 119628.80 11839.07 94844.13 16889.12  537.365   27.223  470.217   44.776 67.14771 52.40212 
1 1 1   49    9    7 o  465.361   25.579 89667.71  9628.30 103976.30 13361.72 74213.41 13886.37  497.972   33.237  416.504   41.618 81.46780 53.26140 
1 1 1   49    9    8 o  256.802   11.442 26871.71  2385.86 23295.29  3866.07 29071.62  3032.12  237.346   20.255  266.493   14.062 -29.14780 24.65783 
1 1 1   49    9    9 o  289.044   15.126 34250.34  3537.53 30519.37  4835.10 38547.98  5189.32  271.263   22.145  305.352   21.059 -34.08823 30.55963 
1 1 1   49    9   10 o  371.770   14.355 56531.95  4333.22 55990.13  6168.76 57059.71  6088.23  367.949   20.732  371.611   20.254 -3.662598 28.98342 
1 1 1   49    9   11 o  463.005   15.875 88039.34  5967.96 82414.26  8493.60 93524.55  8387.34  444.314   23.628  474.832   21.754 -30.51855 32.11751 
1 1 1   49    9   12 o  401.696   15.050 66407.72  4908.90 66930.15  7004.49 65903.48  6881.60  399.856   21.655  396.890   21.434 2.965820 30.46852 
1 1 1   49    9   13 o   95.223   9.0758  3737.37  693.227  5154.57  957.459  2175.92  1005.01  111.694   10.688   71.003   17.536 40.69088 20.53622 
1 1 1   49    9   14 o  340.385   13.442 47816.24  3715.15 48606.04  5322.02 47065.55  5188.56  339.727   19.374  334.398   19.190 5.328918 27.26870 
1 1 1   49    9   15 o  380.760   14.745 60246.06  4558.48 66851.38  6548.69 54036.92  6349.27  396.479   20.411  354.938   22.141 41.54028 30.11418 
1 1 1   49    9   16 o  172.449   9.7627 12258.41  1361.40 12011.25  1901.07 12518.58  1950.49  169.376   13.947  172.913   14.013 -3.537247 19.77084 
1 1 1   49    9   17 o   36.894   13.516  465.085  529.301  115.864  687.698  972.625  829.054   34.726   14.537   49.634   17.040 -14.90825 22.39810 
1 1 1   49    9   18 o  140.073   10.195  8161.47  1151.52  7238.76  1569.03  9238.65  1695.28  129.992   15.150  147.411   14.345 -17.41901 20.86377 
1 1 1   49    9   19 o   63.019   14.439  1753.98  723.004  1597.99  884.584  2067.91  1254.87   59.825   17.257   67.423   20.825 -7.597523 27.04571 
1 1 1   49    9   20 o   32.268   13.840   30.932  649.471  1098.48  805.930 -1946.5940  1096.90   50.464   16.803   28.582   14.001 21.88226 21.87132 
1 1 1   49    9   21 o   80.916   15.183  2980.59  960.877  3844.42  1180.21  1282.29  1654.83   91.305   16.528   57.452   23.122 33.85298 28.42221 
1 1 1   49   11    2 o  235.406   21.412 22914.42  4048.01   0.0000   0.0000 22914.42  4048.01  ?   ?   235.406   21.412 0.000000 21.41212 
1 1 1   49   11    3 o  399.012   21.097 65482.70  6810.67 74758.72  9879.53 57082.27  9401.70  424.101   28.862  369.429   31.648 54.67227 42.83231 
1 1 1   49   11    4 f  487.264   25.135 98102.24  9910.49 105527.10 14280.60 91204.10 13764.73  501.244   35.314  465.177   36.742 36.06711 50.96107 
1 1 1   49   11    5 o  149.971   10.548  9201.43  1276.24 12292.02  2538.43  8155.92  1476.41  172.314   18.429  140.839   13.059 31.47408 22.58659 
1 1 1   49   11    6 f  284.800   13.176 33081.41  3046.91 43967.38  5674.09 28670.47  3611.84  326.402   21.530  264.212   16.925 62.18970 27.38631 
1 1 1   49   11    7 o   73.044   7.5715  2192.87  442.542  2040.23  506.873  2682.31  907.646   70.225   9.1036   79.822   14.540 -9.597542 17.15456 
1 1 1   49   11    8 o   76.377   8.1282  2399.79  496.326  2662.23  576.939  1652.58  973.507   80.381   8.9939   62.800   18.100 17.58083 20.21157 
1 1 1   49   11    9 o  342.495   16.974 48104.15  4720.42 43840.86  6426.63 53098.93  6956.15  324.322   24.587  357.260   24.121 -32.93768 34.44360 
1 1 1   49   11   10 o  338.853   14.726 47046.05  4051.75 48003.11  6684.41 46490.18  5094.30  338.754   24.466  335.384   18.782 3.369476 30.84463 
1 1 1   49   11   11 o  145.237   9.0795  8635.90  1065.35  9226.87  1542.93  8097.44  1472.79  149.542   12.831  139.968   13.112 9.573227 18.34573 
1 1 1   49   11   12 o  196.297   9.0480 15733.84  1442.13 13478.15  2026.23 18049.53  2053.00  180.458   13.936  209.431   12.125 -28.97224 18.47249 
1 1 1   49   11   13 o  110.693   12.261  5097.38  1083.46  1412.27  2802.63  5744.88  1174.80   74.828   30.100  117.538   12.502 -42.70968 32.59285 
1 1 1   49   11   14 o   97.272   8.8572  3902.89  691.895  4410.36  912.644  3217.02  1061.00  103.020   11.085   86.717   15.644 16.30327 19.17337 
1 1 1   49   11   15 o  141.354   9.1575  8225.60  1045.39  8592.01  1427.81  7802.22  1534.80  143.682   12.359  136.371   14.063 7.311035 18.72160 
1 1 1   49   11   16 o  293.693   13.186 35869.23  3144.40 35904.73  4514.06 35835.76  4382.55  289.388   19.322  289.563   18.740 -0.1750183 26.91739 
1 1 1   49   11   17 o   94.662   9.8944  3735.84  749.269  4455.50  977.010  2708.17  1167.51  102.903   11.913   77.960   18.687 24.94345 22.16156 
1 1 1   49   11   18 o  115.833   10.404  5610.80  968.104  6372.06  1247.00  4455.90  1535.93  122.657   12.705   99.418   19.723 23.23902 23.46112 
1 1 1   49   11   19 o   58.466   12.951  1501.18  598.603  1681.78  686.729  929.873  1221.42   61.645   14.035   52.156   20.211 9.489182 24.60593 
1 1 1   49   11   20 o  131.457   10.405  7319.28  1101.58  6219.52  1390.41  9173.45  1805.38  118.674   14.747  143.634   15.738 -24.95959 21.56761 
1 1 1   49   13    0 o  131.102   20.410  7213.27  2101.92   0.0000   0.0000  7213.27  2101.92  ?   ?   131.102   20.410 0.000000 20.40966 
1 1 1   49   13    1 o  289.663   24.897 34838.22  5798.89   0.0000   0.0000 34838.22  5798.89  ?   ?   289.663   24.897 0.000000 24.89746 
1 1 1   49   13    2 o  558.778   41.799 133021.80 18827.40   0.0000   0.0000 133021.80 18827.40  ?   ?   558.778   41.799 0.000000 41.79937 
1 1 1   49   13    3 o  414.484   22.705 70881.93  7612.25 70630.16 11060.44 71108.52 10492.68  409.920   33.524  412.091   31.599 -2.171112 46.06891 
1 1 1   49   13    4 o  784.961   39.872 261373.59 25329.39 268870.50 36122.95 254122.00 35526.81  778.442   57.558  755.836   58.340 22.60583 81.95422 
1 1 1   49   13    5 o  303.676   17.984 37906.09  4414.63 40424.21  6531.94 35788.70  5989.70  311.581   26.058  293.234   25.408 18.34744 36.39455 
1 1 1   49   13    6 o  117.128   10.316  5630.07  971.123  7346.17  2211.47  5220.09  1080.92  132.020   21.360  112.522   12.017 19.49814 24.50800 
1 1 1   49   13    7 o  114.735   10.374  5406.07  956.019  6461.66  2327.54  5191.84  1048.55  122.988   24.169  112.245   11.676 10.74303 26.84193 
1 1 1   49   13    8 o  234.652   12.721 22547.31  2414.60 18560.52  4835.39 23871.71  2786.95  208.809   29.328  241.199   14.294 -32.38988 32.62616 
1 1 1   49   13    9 o  324.392   14.351 43091.77  3780.01 42670.52  4660.22 43901.97  6462.94  321.554   17.920  323.818   24.768 -2.264679 30.57130 
1 1 1   49   13   10 o  157.910   10.198 10221.08  1300.53 10792.10  1562.16  8931.55  2347.55  161.995   11.961  145.391   20.451 16.60379 23.69191 
1 1 1   49   13   11 o  149.857   10.091  9220.37  1220.67  8662.40  1493.82 10341.66  2117.63  144.719   12.846  157.262   16.846 -12.54326 21.18516 
1 1 1   49   13   12 o   70.990   8.4479  2086.53  477.391  2928.61  568.254   66.621  880.099   84.276   8.4168   38.584   16.313 45.69260 18.35675 
1 1 1   49   13   13 o  170.053   13.203 12004.63  1808.71   0.0000   0.0000 12004.63  1808.71  ?   ?   170.053   13.203 0.000000 13.20279 
1 1 1   49   13   14 o  100.246   8.3983  4140.27  677.294  4211.76  846.606  4013.16  1128.85  100.706   10.508   97.224   14.764 3.481911 18.12160 
1 1 1   49   13   15 o  143.228   9.1491  8452.82  1058.45  8882.96  1421.45  7917.52  1585.73  146.054   12.095  137.086   14.465 8.968094 18.85500 
1 1 1   49   13   16 o   94.321   9.0060  3689.24  681.349  3925.17  844.942  3250.58  1152.11   96.852   10.936   86.206   17.064 10.64603 20.26719 
1 1 1   49   13   17 o  143.383   9.3469  8517.33  1082.24  7922.14  1405.28  9384.84  1696.57  137.070   12.774  148.641   14.231 -11.57187 19.12293 
1 1 1   49   13   18 o   93.261   9.5472  3641.31  712.768  3992.01  858.474  2863.08  1278.83   97.204   11.075   78.925   19.946 18.27885 22.81466 
1 1 1   49   13   19 o   42.903   13.342  790.179  514.088  1084.88  581.276 -268.1076  1101.52   49.511   13.893   38.497   17.210 11.01393 22.11763 
1 1 1   49   13   20 o   34.298   12.856  407.742  483.798  449.244  534.654  220.192  1136.57   35.909   13.504   42.631   18.297 -6.721714 22.74062 
1 1 1   49   15    0 o  450.237   35.080 85660.98 12723.14   0.0000   0.0000 85660.98 12723.14  ?   ?   450.237   35.080 0.000000 35.07970 
1 1 1   49   15    1 o  510.622   39.056 111023.60 16070.00   0.0000   0.0000 111023.60 16070.00  ?   ?   510.622   39.056 0.000000 39.05565 
1 1 1   49   15    2 o  517.382   39.354 114082.80 16408.54   0.0000   0.0000 114082.80 16408.54  ?   ?   517.382   39.354 0.000000 39.35402 
1 1 1   49   15    3 o  295.259   18.280 35872.75  4360.80 37036.14  6497.94 34919.41  5882.15  297.665   27.185  289.535   25.274 8.130585 37.11864 
1 1 1   49   15    4 o  246.446   16.721 24977.75  3326.15 25187.71  5030.33 24814.64  4433.72  245.401   25.623  244.352   22.603 1.048828 34.16777 
1 1 1   49   15    5 o  595.821   31.130 148902.30 15008.04 150617.50 21599.18 147301.09 20868.81  588.690   45.541  583.074   44.413 5.616150 63.61249 
1 1 1   49   15    6 o  450.551   18.511 83367.41  6771.76 89688.16 12410.05 80687.39  8080.84  460.326   33.431  441.458   22.620 18.86798 40.36407 
1 1 1   49   15    7 o  408.075   17.370 68372.84  5755.48 70708.70 10693.97 67420.34  6828.86  408.153   32.539  403.698   20.905 4.455353 38.67530 
1 1 1   49   15    8 o  435.200   18.332 78026.11  6478.05 83905.69 12018.60 75618.47  7690.87  442.636   33.693  426.413   22.290 16.22324 40.39922 
1 1 1   49   15    9 o  349.306   15.716 50199.66  4457.56 54667.71  8587.98 48552.04  5215.08  357.341   29.872  342.049   18.850 15.29269 35.32265 
1 1 1   49   15   10 o  196.827   11.932 15935.54  1897.98 16860.83  4226.15 15701.77  2124.26  197.421   27.077  195.020   13.498 2.401031 30.25533 
1 1 1   49   15   11 o  151.813   11.998  9522.98  1466.88 10319.03  4058.33  9403.35  1573.25  149.946   34.103  150.625   12.991 -0.6793823 36.49346 
1 1 1   49   15   12 o  185.095   16.677 14380.08  2479.52 10052.09  4600.27 16152.26  2943.71  144.866   38.464  195.423   18.783 -50.55721 42.80543 
1 1 1   49   15   13 o   56.552   20.645  1143.22  1233.34   0.0000   0.0000  1143.22  1233.34  ?   ?    56.552   20.645 0.000000 20.64527 
1 1 1   49   15   14 o   69.505   8.6987  2009.97  480.165  2152.41  549.066  1546.88  990.026   71.767   9.6684   60.228   18.480 11.53941 20.85614 
1 1 1   49   15   15 o   76.268   8.9276  2420.69  542.397  2661.82  645.456  1841.20  1000.60   79.742   10.203   64.804   18.243 14.93774 20.90226 
1 1 1   49   15   16 o   69.985   9.3037  2052.39  515.583  1758.31  598.269  2901.20  1016.40   64.047   11.944   81.481   15.934 -17.43416 19.91311 
1 1 1   49   15   17 o   82.866   9.3022  2872.99  615.084  2916.26  718.170  2753.89  1191.53   83.042   10.915   77.952   18.998 5.090202 21.91095 
1 1 1   49   15   18 o   61.871   10.489  1640.54  508.100  1346.63  576.525  2662.93  1075.27   55.285   13.052   76.469   17.672 -21.18382 21.97002 
1 1 1   49   15   19 o   18.181   8.6259 -402.1509  342.898 -368.8255  364.979 -652.8405  1001.03   19.337   9.0904   33.492   15.513 -14.15473 17.97998 
1 1 1   49   17    0 o  281.869   26.027 33237.55  5889.41   0.0000   0.0000 33237.55  5889.41  ?   ?   281.869   26.027 0.000000 26.02668 
1 1 1   49   17    1 o  346.926   29.192 50556.28  8146.68   0.0000   0.0000 50556.28  8146.68  ?   ?   346.926   29.192 0.000000 29.19177 
1 1 1   49   17    2 o  486.010   37.755 100939.00 14782.11   0.0000   0.0000 100939.00 14782.11  ?   ?   486.010   37.755 0.000000 37.75501 
1 1 1   49   17    3 o  229.999   16.510 21782.55  3062.69 25551.81  4754.54 19109.26  4004.09  247.391   23.970  213.765   23.454 33.62589 33.53603 
1 1 1   49   17    4 o   85.235   18.848  3101.11  1269.78  884.827  2105.32  4368.25  1591.91   65.160   26.131  101.298   20.064 -36.13857 32.94548 
1 1 1   49   17    5 o  173.501   10.298 12312.74  1444.19 21046.93  3370.91 10349.17  1598.30  225.489   18.577  158.709   12.504 66.77945 22.39286 
1 1 1   49   17    6 o  560.366   21.621 129978.30  9837.50 145584.59 17893.38 123217.60 11777.12  580.346   38.186  542.858   26.719 37.48792 46.60501 
1 1 1   49   17    7 o  643.188   25.268 173163.30 13196.38 186979.41 23753.39 166995.30 15870.99  645.667   45.602  626.712   31.189 18.95477 55.24713 
1 1 1   49   17    8 o  244.836   12.639 24628.46  2504.03 26437.99  5320.29 24113.56  2838.02  248.759   26.761  241.799   14.523 6.959930 30.44769 
1 1 1   49   17    9 o  233.945   17.348 22809.48  3271.81 23852.08  5336.98 22181.71  4141.28  234.232   28.659  228.649   22.602 5.583481 36.49960 
1 1 1   49   17   10 o  234.205   13.113 22656.95  2483.64 23742.14  5550.63 22385.29  2777.16  231.634   30.233  232.249   14.804 -0.6147614 33.66315 
1 1 1   49   17   11 o  118.759   12.777  5879.18  1212.65 10230.37  4054.94  5451.82  1270.80  148.050   34.389  114.004   14.024 34.04656 37.13890 
1 1 1   49   17   12 o  162.330   12.286 10934.14  1607.35 12425.29  4877.35 10752.46  1702.45  160.020   38.088  160.714   13.162 -0.6939545 40.29777 
1 1 1   49   17   13 o   76.200   21.273  2568.04  1366.51  4967.77  4193.90  2283.01  1445.39  104.733   38.095   72.434   22.346 32.29914 44.16560 
1 1 1   49   17   14 o  127.182   18.159  6997.11  1821.97  8168.99  4529.50  6770.90  1990.06  125.891   39.676  124.082   20.466 1.808533 44.64361 
1 1 1   49   17   15 o   64.491   22.735  1697.68  1480.92   0.0000   0.0000  1697.68  1480.92  ?   ?    64.491   22.735 0.000000 22.73505 
1 1 1   49   17   16 o   50.768   18.350  980.130  970.879   0.0000   0.0000  980.130  970.879  ?   ?    50.768   18.350 0.000000 18.35021 
1 1 1   49   17   17 o   54.662   18.719  1260.61  1000.26  3698.27  4048.84  1102.16  1032.25   88.215   35.928   52.627   18.935 35.58844 40.61197 
1 1 1   49   17   18 o   44.374   18.470  396.260  1101.34   0.0000   0.0000  396.260  1101.34  ?   ?    44.374   18.470 0.000000 18.47011 
1 1 1   49   17   19 o   78.648   9.8371  2647.11  614.450  2745.71  677.327  2188.79  1460.31   79.744   10.733   66.427   22.618 13.31655 25.03545 
1 1 1   49   19    0 o  198.206   11.670 16089.01  1869.82   0.0000   0.0000 16089.01  1869.82  ?   ?   198.206   11.670 0.000000 11.66988 
1 1 1   49   19    1 o  639.946   50.514 183678.91 26034.49   0.0000   0.0000 183678.91 26034.49  ?   ?   639.946   50.514 0.000000 50.51408 
1 1 1   49   19    2 o  412.909   33.631 72761.50 11177.34   0.0000   0.0000 72761.50 11177.34  ?   ?   412.909   33.631 0.000000 33.63066 
1 1 1   49   19    3 o  354.301   29.745 53173.31  8477.97   0.0000   0.0000 53173.31  8477.97  ?   ?   354.301   29.745 0.000000 29.74538 
1 1 1   49   19    4 o  390.479   16.005 62613.57  5074.55 69437.87  9775.28 60096.09  5937.22  404.513   29.975  381.123   19.248 23.38968 35.62292 
1 1 1   49   19    5 o  113.445   10.229  5294.19  932.078  3627.83  2818.10  5498.87  987.664   94.179   31.423  115.574   10.644 -21.39479 33.17670 
1 1 1   49   19    6 o  185.472   11.362 14120.90  1702.86 17256.70  4048.72 13446.96  1876.95  201.085   25.361  180.691   12.877 20.39354 28.44315 
1 1 1   49   19    7 o  222.094   11.574 20258.96  2079.96 27095.63  4596.83 18498.90  2332.38  253.131   22.603  211.718   13.640 41.41264 26.39988 
1 1 1   49   19    8 o  297.738   14.129 36551.37  3415.68 43149.08  7449.71 34795.21  3843.48  314.365   29.532  289.280   16.431 25.08444 33.79493 
1 1 1   49   19    9 o  150.898   17.328  9605.82  2084.64  7419.95  4081.77 10377.15  2424.70  125.770   37.295  156.139   19.554 -30.36974 42.11037 
1 1 1   49   19   10 o  182.885   12.082 13835.69  1784.08 14473.28  4706.88 13728.72  1927.94  176.638   34.052  181.866   13.144 -5.228561 36.50125 
1 1 1   49   19   11 o  116.071   12.925  5637.95  1197.42  3735.99  4443.09  5786.91  1243.43   98.627   38.456  117.521   13.263 -18.89438 40.67854 
1 1 1   49   19   12 o   62.341   16.251  1690.80  830.996 -461.1852  4444.77  1768.75  845.912   77.195   34.535   63.728   16.287 13.46649 38.18304 
1 1 1   49   19   13 o  358.421   17.651 54540.76  5136.89 52448.98 11244.97 55092.38  5774.63  314.617   45.327  357.596   19.968 -42.97903 49.53012 
1 1 1   49   19   14 o  205.548   14.317 17827.58  2374.57 14955.16  6553.16 18261.74  2547.71  159.441   47.250  207.540   15.225 -48.09908 49.64227 
1 1 1   49   19   15 o   56.689   21.448  1149.03  1353.48 -5664.4380  5725.27  1552.36  1392.97   68.467   33.190   61.722   22.018 6.744781 39.82906 
1 1 1   49   19   16 o   57.830   22.458  1176.10  1510.55  1011.70  4447.55  1197.54  1606.02   77.441   34.603   58.877   23.075 18.56454 41.59109 
1 1 1   49   19   17 o   70.737   20.840  2369.77  1278.00   0.0000   0.0000  2369.77  1278.00  ?   ?    70.737   20.840 0.000000 20.84035 
1 1 1   49   19   18 o   35.425   15.947 -278.1887  963.856   0.0000   0.0000 -278.1887  963.856  ?   ?    35.425   15.947 0.000000 15.94688 
1 1 1   49   21    0 o  568.552   29.927 137583.91 13767.10   0.0000   0.0000 137583.91 13767.10  ?   ?   568.552   29.927 0.000000 29.92715 
1 1 1   49   21    1 o  281.379   14.802 32597.24  3370.01   0.0000   0.0000 32597.24  3370.01  ?   ?   281.379   14.802 0.000000 14.80232 
1 1 1   49   21    2 o  211.848   12.178 18426.35  2085.93   0.0000   0.0000 18426.35  2085.93  ?   ?   211.848   12.178 0.000000 12.17779 
1 1 1   49   21    3 o  111.837   9.2431  5137.44  831.823   0.0000   0.0000  5137.44  831.823  ?   ?   111.837   9.2431 0.000000 9.243116 
1 1 1   49   21    4 o  161.383   10.468 10691.54  1364.24 13064.40  3907.07 10362.07  1455.88  172.877   28.851  158.707   11.373 14.17058 31.01155 
1 1 1   49   21    5 o  118.441   10.645  5786.43  1012.83  9437.54  3773.84  5503.04  1051.40  144.450   32.910  115.350   11.374 29.09951 34.82008 
1 1 1   49   21    6 o  176.572   10.326 12807.99  1474.06 23908.89  4606.39 11541.55  1555.87  236.055   24.384  167.338   11.521 68.71690 26.96917 
1 1 1   49   21    7 o  213.390   12.085 18785.09  2085.35 26006.57  5146.76 17366.69  2280.97  244.489   26.342  204.649   13.808 39.83961 29.74139 
1 1 1   49   21    8 o  192.700   12.517 15369.58  1947.88 23615.70  5556.17 14214.06  2079.89  229.386   30.594  184.850   13.960 44.53616 33.62844 
1 1 1   49   21    9 o   72.176   15.080  2243.74  855.250  6669.26  4296.41  2061.14  872.716  118.284   38.767   68.986   15.906 49.29788 41.90326 
1 1 1   49   21   10 o  199.664   13.332 16601.77  2148.99 21634.52  6170.41 15907.06  2292.52  212.045   37.195  194.941   14.589 17.10332 39.95360 
1 1 1   49   21   11 o  155.931   13.562 10186.88  1700.03 12312.43  5086.71  9919.61  1803.75  155.271   40.075  153.462   14.654 1.809052 42.67033 
1 1 1   49   21   12 o   79.512   18.296  2796.05  1156.65  5609.30  5219.53  2650.76  1186.14  108.439   41.848   77.234   19.036 31.20500 45.97390 
1 1 1   49   21   13 o  218.518   14.541 20181.52  2565.21 14384.46  7854.69 20873.63  2714.02  148.249   52.349  221.873   15.156 -73.62389 54.49868 
1 1 1   49   21   14 f   59.452   19.246  1527.93  1060.34  2707.91  5219.06  1477.12  1082.92   90.122   38.947   58.808   19.472 31.31354 43.54385 
1 1 1   49   21   15 o  124.208   16.402  6766.03  1613.74 13595.17  7528.95  6437.19  1652.14  133.237   50.542  120.579   17.376 12.65735 53.44580 
1 1 1   49   21   16 o   43.118   17.884  366.547  1027.39   0.0000   0.0000  366.547  1027.39  ?   ?    43.118   17.884 0.000000 17.88432 
1 1 1   49   21   17 o   66.175   25.466  2025.01  1928.67   0.0000   0.0000  2025.01  1928.67  ?   ?    66.175   25.466 0.000000 25.46601 
1 1 1   49   23    0 o  168.597   14.963 11823.67  2027.02   0.0000   0.0000 11823.67  2027.02  ?   ?   168.597   14.963 0.000000 14.96251 
1 1 1   49   23    1 o  128.717   8.5216  6793.26  885.588   0.0000   0.0000  6793.26  885.588  ?   ?   128.717   8.5216 0.000000 8.521635 
1 1 1   49   23    2 o  160.966   11.334 10678.47  1471.86   0.0000   0.0000 10678.47  1471.86  ?   ?   160.966   11.334 0.000000 11.33375 
1 1 1   49   23    3 o   91.826   9.7439  3488.60  715.401   0.0000   0.0000  3488.60  715.401  ?   ?    91.826   9.7439 0.000000 9.743900 
1 1 1   49   23    4 o  144.064   10.502  8553.65  1219.98   0.0000   0.0000  8553.65  1219.98  ?   ?   144.064   10.502 0.000000 10.50171 
1 1 1   49   23    5 o  139.599   10.779  8046.67  1212.35  8612.24  4622.90  8004.90  1256.32  133.657   39.703  139.139   11.215 -5.482239 41.25686 
1 1 1   49   23    6 o  194.557   10.938 15605.31  1720.95 22795.61  5491.70 14822.31  1812.24  224.620   30.931  189.348   11.847 35.27197 33.12219 
1 1 1   49   23    7 o  237.051   12.962 23307.08  2485.46 32729.08  6864.99 21885.74  2666.34  267.553   32.250  229.117   14.406 38.43633 35.32155 
1 1 1   49   23    8 o  260.616   20.694 29159.96  4342.98 32047.71  7450.29 27673.63  5345.04  259.599   36.341  249.356   26.821 10.24257 45.16709 
1 1 1   49   23    9 o  170.963   12.949 12194.88  1784.25 19189.64  5517.33 11377.93  1885.56  199.847   35.292  164.638   14.245 35.20929 38.05820 
1 1 1   49   23   10 o  110.144   14.091  5142.63  1231.34 11155.21  5725.52  4851.06  1260.85  142.814   44.544  106.640   14.974 36.17326 46.99337 
1 1 1   49   23   11 o   29.680   13.779 -652.0701  796.386  930.815  5399.13 -687.2750  805.193   86.732   38.478   29.629   13.788 57.10341 40.87400 
1 1 1   49   23   12 o  125.376   15.287  6742.21  1524.03  7351.43  6718.00  6709.15  1564.82  114.942   46.473  124.849   15.789 -9.907097 49.08177 
1 1 1   49   23   13 f   49.197   19.060  767.418  1086.03 -2189.5911  6607.31  849.524  1101.00   80.455   38.082   50.377   19.276 30.07758 42.68269 
1 1 1   49   23   14 o   32.250   15.183 -976.4470  1024.81 -5623.6118  7172.07 -879.5859  1035.44   74.006   36.157   33.077   15.473 40.92928 39.32872 
1 1 1   49   23   15 o   63.812   21.751  1862.65  1350.59   0.0000   0.0000  1862.65  1350.59  ?   ?    63.812   21.751 0.000000 21.75141 
1 1 1   49   23   16 o   48.680   19.515  767.598  1173.71   0.0000   0.0000  767.598  1173.71  ?   ?    48.680   19.515 0.000000 19.51512 
1 1 1   49   25    0 o  157.876   16.339 10511.26  2064.15   0.0000   0.0000 10511.26  2064.15  ?   ?   157.876   16.339 0.000000 16.33870 
1 1 1   49   25    1 o  123.834   16.662  6516.18  1632.86   0.0000   0.0000  6516.18  1632.86  ?   ?   123.834   16.662 0.000000 16.66234 
1 1 1   49   25    2 o  158.543   9.7098 10347.94  1243.94   0.0000   0.0000 10347.94  1243.94  ?   ?   158.543   9.7098 0.000000 9.709848 
1 1 1   49   25    3 o  277.777   13.586 31978.27  3064.33   0.0000   0.0000 31978.27  3064.33  ?   ?   277.777   13.586 0.000000 13.58630 
1 1 1   49   25    4 o  219.493   13.928 20077.95  2469.48   0.0000   0.0000 20077.95  2469.48  ?   ?   219.493   13.928 0.000000 13.92841 
1 1 1   49   25    5 o   78.883   11.559  2619.15  718.375  2397.94  3981.81  2626.59  730.360   87.899   35.694   78.951   11.751 8.947990 37.57899 
1 1 1   49   25    6 o  132.261   11.339  7270.65  1205.95 14518.28  5303.42  6875.46  1238.40  170.417   39.150  128.406   12.018 42.01112 40.95333 
1 1 1   49   25    7 f  124.499   23.539  6951.35  2292.35  5892.61  5607.86  7163.75  2511.80  112.022   43.335  125.457   25.526 -13.43513 50.29452 
1 1 1   49   25    8 o   93.815   14.475  3762.15  1067.18  6797.77  4647.26  3593.16  1096.48  115.610   40.306   91.375   15.321 24.23507 43.12006 
1 1 1   49   25    9 o   41.565   17.044  305.021  918.946  3481.35  5575.11  216.314  931.690   97.902   41.208   40.785   16.983 57.11801 44.57034 
1 1 1   49   25   10 o  110.418   16.099  5272.69  1400.91 10778.13  6982.10  5041.76  1429.99  131.769   48.946  107.591   16.928 24.17773 51.79022 
1 1 1   49   25   11 o  133.605   14.692  7641.65  1567.54 12061.83  7695.24  7450.29  1601.11  132.458   50.894  131.639   15.263 0.8189850 53.13302 
1 1 1   49   25   12 o   34.122   15.396 -377.3354  904.697 -2708.3611  7350.53 -341.4808  911.628   81.487   39.014   34.569   15.540 46.91777 41.99488 
1 1 1   49   25   13 f  117.321   17.094  6126.08  1580.57   0.0000   0.0000  6126.08  1580.57  ?   ?   117.321   17.094 0.000000 17.09439 
1 1 1   49   25   14 o  117.808   19.042  6405.04  1759.30   0.0000   0.0000  6405.04  1759.30  ?   ?   117.808   19.042 0.000000 19.04156 
1 1 1   49   25   15 o  110.457   19.781  5825.11  1708.99   0.0000   0.0000  5825.11  1708.99  ?   ?   110.457   19.781 0.000000 19.78138 
1 1 1   49   27    0 o   62.782   20.105  1674.56  1159.55   0.0000   0.0000  1674.56  1159.55  ?   ?    62.782   20.105 0.000000 20.10547 
1 1 1   49   27    1 o  119.120   19.721  6206.74  1840.70   0.0000   0.0000  6206.74  1840.70  ?   ?   119.120   19.721 0.000000 19.72085 
1 1 1   49   27    2 o   97.067   8.7947  3897.51  685.627   0.0000   0.0000  3897.51  685.627  ?   ?    97.067   8.7947 0.000000 8.794671 
1 1 1   49   27    3 o   49.891   10.491  1063.92  411.508   0.0000   0.0000  1063.92  411.508  ?   ?    49.891   10.491 0.000000 10.49089 
1 1 1   49   27    4 o   59.546   23.919  930.370  1767.11   0.0000   0.0000  930.370  1767.11  ?   ?    59.546   23.919 0.000000 23.91908 
1 1 1   49   27    5 o  186.077   22.541 15323.42  3336.25   0.0000   0.0000 15323.42  3336.25  ?   ?   186.077   22.541 0.000000 22.54133 
1 1 1   49   27    6 o   61.467   15.273  1652.46  758.921 11164.49  5774.93  1485.30  765.560  140.492   44.856   58.322   15.782 82.17043 47.55126 
1 1 1   49   27    7 o  229.175   13.832 22102.90  2561.88 34521.29  8581.20 20887.75  2684.29  252.596   43.403  222.095   14.973 30.50111 45.91323 
1 1 1   49   27    8 o   69.912   17.092  2170.95  962.114  871.037  6499.46  2200.07  972.832   90.029   40.882   70.362   17.178 19.66709 44.34389 
1 1 1   49   27    9 o   39.196   16.356  203.048  866.679  7035.12  6620.40   83.922  874.202  111.115   45.676   38.015   16.174 73.09961 48.45485 
1 1 1   49   27   10 o   53.962   19.191  1167.09  1057.47 -3907.6641  6367.72  1311.01  1072.36   74.596   35.871   56.092   19.373 18.50321 40.76791 
1 1 1   49   27   11 o   69.613   20.403  2241.46  1227.74 -3425.4700  8867.02  2352.23  1239.68   83.599   40.702   71.211   20.397 12.38855 45.52696 
1 1 1   49   27   12 o  120.880   17.923  6606.68  1705.84   0.0000   0.0000  6606.68  1705.84  ?   ?   120.880   17.923 0.000000 17.92284 
1 1 1   49   27   13 o   47.067   19.534  531.892  1226.81   0.0000   0.0000  531.892  1226.81  ?   ?    47.067   19.534 0.000000 19.53441 
1 1 1   49   27   14 o   46.979   19.676  550.646  1260.86   0.0000   0.0000  550.646  1260.86  ?   ?    46.979   19.676 0.000000 19.67608 
1 1 1   49   29    0 o   75.243   23.046  2560.05  1540.50   0.0000   0.0000  2560.05  1540.50  ?   ?    75.243   23.046 0.000000 23.04585 
1 1 1   49   29    1 o  122.437   23.485  6849.95  2249.84   0.0000   0.0000  6849.95  2249.84  ?   ?   122.437   23.485 0.000000 23.48509 
1 1 1   49   29    2 o  190.137   22.782 16205.97  3447.16   0.0000   0.0000 16205.97  3447.16  ?   ?   190.137   22.782 0.000000 22.78202 
1 1 1   49   29    3 o   90.466   10.090  3423.92  728.521   0.0000   0.0000  3423.92  728.521  ?   ?    90.466   10.090 0.000000 10.08977 
1 1 1   49   29    4 o   86.634   10.754  3157.85  740.185   0.0000   0.0000  3157.85  740.185  ?   ?    86.634   10.754 0.000000 10.75359 
1 1 1   49   29    5 o   33.758   12.683  363.872  471.406   0.0000   0.0000  363.872  471.406  ?   ?    33.758   12.683 0.000000 12.68265 
1 1 1   49   29    6 o   94.105   12.673  3774.67  943.694 13746.91  6405.35  3553.41  954.105  146.792   47.280   91.047   13.298 55.74540 49.11477 
1 1 1   49   29    7 o  138.607   12.979  8154.53  1443.66  7803.07  7233.47  8169.11  1473.30  112.115   47.051  138.605   13.253 -26.49014 48.88157 
1 1 1   49   29    8 o   73.896   16.735  2449.62  980.822   68.636  8041.41  2485.58  988.200   88.941   42.073   74.440   16.754 14.50079 45.28607 
1 1 1   49   29    9 o   34.031   15.169 -235.5972  849.194   0.0000   0.0000 -235.5972  849.194  ?   ?    34.031   15.169 0.000000 15.16931 
1 1 1   49   29   10 o   52.683   19.203  1120.38  1066.42   0.0000   0.0000  1120.38  1066.42  ?   ?    52.683   19.203 0.000000 19.20275 
1 1 1   49   29   11 o   61.053   20.867  1715.87  1242.97   0.0000   0.0000  1715.87  1242.97  ?   ?    61.053   20.867 0.000000 20.86659 
1 1 1   49   29   12 o   50.924   20.597  868.934  1320.11   0.0000   0.0000  868.934  1320.11  ?   ?    50.924   20.597 0.000000 20.59675 
1 1 1   49   29   13 o   61.440   22.214  1866.83  1422.99   0.0000   0.0000  1866.83  1422.99  ?   ?    61.440   22.214 0.000000 22.21443 
1 1 1   49   31    0 o   44.436   19.521 -114.2871  1357.44   0.0000   0.0000 -114.2871  1357.44  ?   ?    44.436   19.521 0.000000 19.52109 
1 1 1   49   31    1 o   84.888   26.667  3486.04  2047.93   0.0000   0.0000  3486.04  2047.93  ?   ?    84.888   26.667 0.000000 26.66701 
1 1 1   49   31    2 o   82.509   29.667  3231.08  2533.61   0.0000   0.0000  3231.08  2533.61  ?   ?    82.509   29.667 0.000000 29.66720 
1 1 1   49   31    3 o   78.747   9.9334  2614.38  621.010   0.0000   0.0000  2614.38  621.010  ?   ?    78.747   9.9334 0.000000 9.933409 
1 1 1   49   31    4 o   32.353   11.180  401.229  357.136   0.0000   0.0000  401.229  357.136  ?   ?    32.353   11.180 0.000000 11.17955 
1 1 1   49   31    5 o  142.565   12.601  8648.83  1443.71   0.0000   0.0000  8648.83  1443.71  ?   ?   142.565   12.601 0.000000 12.60150 
1 1 1   49   31    6 o  122.464   13.088  6437.27  1281.24   0.0000   0.0000  6437.27  1281.24  ?   ?   122.464   13.088 0.000000 13.08769 
1 1 1   49   31    7 o  180.160   14.484 14075.16  2100.91   0.0000   0.0000 14075.16  2100.91  ?   ?   180.160   14.484 0.000000 14.48423 
1 1 1   49   31    8 o  128.139   15.186  7247.09  1549.25   0.0000   0.0000  7247.09  1549.25  ?   ?   128.139   15.186 0.000000 15.18578 
1 1 1   49   31    9 o   85.836   18.555  3466.46  1255.52   0.0000   0.0000  3466.46  1255.52  ?   ?    85.836   18.555 0.000000 18.55515 
1 1 1   49   31   10 o  100.875   19.255  4867.64  1519.60   0.0000   0.0000  4867.64  1519.60  ?   ?   100.875   19.255 0.000000 19.25516 
1 1 1   49   31   11 o   87.706   21.478  3933.99  1517.31   0.0000   0.0000  3933.99  1517.31  ?   ?    87.706   21.478 0.000000 21.47772 
1 1 1   49   33    0 o  171.569   26.070 14616.53  3517.53   0.0000   0.0000 14616.53  3517.53  ?   ?   171.569   26.070 0.000000 26.07039 
1 1 1   49   33    1 o  119.589   29.975  7664.11  2905.03   0.0000   0.0000  7664.11  2905.03  ?   ?   119.589   29.975 0.000000 29.97537 
1 1 1   49   33    2 o   68.956   28.208  1869.65  2509.61   0.0000   0.0000  1869.65  2509.61  ?   ?    68.956   28.208 0.000000 28.20766 
1 1 1   49   33    3 o  106.228   10.310  4779.22  878.102   0.0000   0.0000  4779.22  878.102  ?   ?   106.228   10.310 0.000000 10.31031 
1 1 1   49   33    4 o   94.486   10.912  3814.07  821.794   0.0000   0.0000  3814.07  821.794  ?   ?    94.486   10.912 0.000000 10.91232 
1 1 1   49   33    5 o   67.051   12.143  1971.70  636.760   0.0000   0.0000  1971.70  636.760  ?   ?    67.051   12.143 0.000000 12.14288 
1 1 1   49   33    6 o   89.168   13.696  3522.37  959.896   0.0000   0.0000  3522.37  959.896  ?   ?    89.168   13.696 0.000000 13.69588 
1 1 1   49   33    7 o  122.095   14.383  6642.91  1398.54   0.0000   0.0000  6642.91  1398.54  ?   ?   122.095   14.383 0.000000 14.38302 
1 1 1   49   33    8 o   46.024   17.211  851.966  866.217   0.0000   0.0000  851.966  866.217  ?   ?    46.024   17.211 0.000000 17.21132 
1 1 1   49   33    9 o  ?   ?  -3183.1379  666.923   0.0000   0.0000 -3183.1379  666.923  ?   ?   ?   ?  0.000000      ? 
1 1 1   49   35    0 o   91.641   32.086  5391.66  2946.51   0.0000   0.0000  5391.66  2946.51  ?   ?    91.641   32.086 0.000000 32.08623 
1 1 1   49   35    1 f   89.928   31.816  5156.85  2902.64   0.0000   0.0000  5156.85  2902.64  ?   ?    89.928   31.816 0.000000 31.81558 
1 1 1   49   35    2 o  100.698   35.528  7234.78  3617.12   0.0000   0.0000  7234.78  3617.12  ?   ?   100.698   35.528 0.000000 35.52788 
1 1 1   49   35    3 o   87.693   33.119  5219.82  3223.73   0.0000   0.0000  5219.82  3223.73  ?   ?    87.693   33.119 0.000000 33.11872 
1 1 1   49   35    4 o   58.869   11.211  1534.35  516.297   0.0000   0.0000  1534.35  516.297  ?   ?    58.869   11.211 0.000000 11.21062 
1 1 1   49   35    5 o   55.814   13.005  1422.41  578.428   0.0000   0.0000  1422.41  578.428  ?   ?    55.814   13.005 0.000000 13.00467 
1 1 1   49   35    6 o   31.392   12.556  269.488  484.643   0.0000   0.0000  269.488  484.643  ?   ?    31.392   12.556 0.000000 12.55579 
1 1 1   49   37    0 o   68.390   30.442  3321.46  3406.94   0.0000   0.0000  3321.46  3406.94  ?   ?    68.390   30.442 0.000000 30.44191 
1 1 1   49   37    1 o   60.106   27.684  1473.99  3123.48   0.0000   0.0000  1473.99  3123.48  ?   ?    60.106   27.684 0.000000 27.68435 
1 1 1   50    0    0 o  1113.21   82.175 544184.88 73346.93   0.0000   0.0000 544184.88 73346.93  1113.21   82.175  1113.21   82.175 0.000000 0.000000 
1 1 1   50    0    1 o  565.206   41.184 133937.50 18670.11   0.0000   0.0000 133937.50 18670.11  565.206   41.184  565.206   41.184 0.000000 0.000000 
1 1 1   50    0    2 f  1215.06   91.031 660436.62 88651.18   0.0000   0.0000 660436.62 88651.18  1215.06   91.031  1215.06   91.031 0.000000 0.000000 
1 1 1   50    0    3 f  1224.44   62.371 639176.38 61642.05 618246.88 87473.69 659822.62 86879.41  1170.02   93.447  1214.65   89.196 0.000000 0.000000 
1 1 1   50    0    4 o  271.146   17.586 30328.41  3834.29 18639.44  5701.78 39978.25  5180.62  202.757   38.732  310.991   20.727 0.000000 0.000000 
1 1 1   50    0    5 o  435.753   23.486 78282.08  8254.72 71573.23 11980.23 84346.16 11390.00  411.846   36.484  449.812   31.542 0.000000 0.000000 
1 1 1   50    0    6 o   21.309   13.368   94.045  480.793   0.0000   0.0000   94.045  480.793   21.309   13.368   21.309   13.368 0.000000 0.000000 
1 1 1   50    0    7 o  207.417   13.912 17750.04  2318.88 14357.64  3594.89 20167.45  3034.63  182.011   25.826  220.423   17.196 0.000000 0.000000 
1 1 1   50    0    8 o  246.891   15.010 25110.63  2983.45 23982.29  4560.36 25954.90  3944.74  238.376   24.128  249.760   19.735 0.000000 0.000000 
1 1 1   50    0    9 o  332.436   18.162 45537.81  4868.95 46218.12  7237.97 44975.51  6580.38  331.892   27.283  328.171   25.030 0.000000 0.000000 
1 1 1   50    0   10 o  414.586   22.310 71111.26  7460.63 68293.62 10919.63 73578.06 10217.22  401.159   34.090  418.470   30.440 0.000000 0.000000 
1 1 1   50    0   11 o  154.819   12.218  9947.96  1513.90 12474.67  2521.45  8523.65  1893.10  171.607   18.655  141.375   17.166 0.000000 0.000000 
1 1 1   50    0   12 o  697.218   37.657 208514.30 21176.30 190877.80 30350.34 225245.30 29560.90  641.803   59.411  708.113   52.060 0.000000 0.000000 
1 1 1   50    0   13 o   59.782   21.735  1956.97  970.326  675.282  1650.17  2634.34  1199.64   41.868   25.576   70.507   23.515 0.000000 0.000000 
1 1 1   50    0   14 o  107.266   14.572  4977.73  1203.03  5164.24  2150.30  4892.75  1451.45   99.344   30.490  104.050   19.073 0.000000 0.000000 
1 1 1   50    0   15 f  171.044   13.771 12270.65  1884.04 15289.69  3185.76 10646.82  2336.41  187.397   21.694  156.606   19.138 0.000000 0.000000 
1 1 1   50    0   16 o   28.330   17.348  297.452  763.445 -1365.6121  1753.40  686.490  848.053   29.861   20.721   34.782   19.630 0.000000 0.000000 
1 1 1   50    0   17 o  128.665   15.828  7193.11  1586.51  6721.34  2905.50  7393.52  1893.74  108.012   36.904  128.475   19.480 0.000000 0.000000 
1 1 1   50    0   18 f  193.900   15.059 16003.52  2338.05 29037.31  4317.00 10593.57  2781.27  257.501   20.967  150.716   24.727 0.000000 0.000000 
1 1 1   50    0   19 f  172.272   16.100 12889.27  2206.80 22104.54  4373.65  9741.89  2556.02  217.701   25.681  143.561   23.926 0.000000 0.000000 
1 1 1   50    0   20 o   53.733   25.688  1958.06  1286.85  4170.24  3036.79  1473.89  1420.72   70.455   38.068   46.279   25.677 0.000000 0.000000 
1 1 1   50    0   21 o   35.008   21.237  696.020  1120.10  7085.50  3951.62  137.804  1168.00   83.204   43.887   30.135   19.642 0.000000 0.000000 
1 1 1   50    2    0 o   82.381   11.591  2816.00  753.868  3120.54  1021.39  2451.57  1117.32   86.241   15.138   75.968   18.325 10.27364 23.76942 
1 1 1   50    2    1 o  305.150   16.871 38114.02  4163.98 37496.68  5847.42 38749.12  5930.98  301.385   24.096  306.422   24.031 -5.036713 34.03088 
1 1 1   50    2    2 o  463.289   23.686 88255.85  8880.36 91215.73 12489.29 85229.22 12629.35  468.246   33.062  451.998   34.676 16.24802 47.91138 
1 1 1   50    2    3 o  728.641   25.942 218241.91 15347.97 214555.20 21666.22 221955.41 21744.62  716.826   37.354  729.391   36.835 -12.56451 52.46081 
1 1 1   50    2    4 o  407.812   17.562 67918.14  5815.40 70289.24  9820.10 66637.51  7216.96  411.652   29.577  402.659   22.159 8.993225 36.95699 
1 1 1   50    2    5 o  753.340   27.083 233776.59 16566.63 231962.00 23401.36 235599.70 23456.26  743.821   38.882  749.779   38.661 -5.957886 54.83086 
1 1 1   50    2    6 o  352.090   13.346 50517.80  3815.52 49551.60  5385.16 51491.79  5406.83  347.502   19.160  354.317   18.862 -6.815125 26.88583 
1 1 1   50    2    7 o  398.403   16.206 64821.56  5242.50 66513.59  6478.17 61610.66  8924.07  402.985   19.798  384.970   28.757 18.01447 34.91328 
1 1 1   50    2    8 o  652.302   23.236 175022.59 12306.84 171456.50 17404.05 178589.20 17404.95  640.293   33.593  653.905   32.886 -13.61206 47.01037 
1 1 1   50    2    9 o  197.380   8.7319 15848.85  1399.42 15105.98  1969.04 16607.07  1989.28  192.067   12.698  201.485   12.217 -9.417694 17.62070 
1 1 1   50    2   10 o  341.783   13.268 47674.27  3682.17 48839.53  5220.34 46520.52  5194.51  344.550   18.730  336.156   19.110 8.394623 26.75848 
1 1 1   50    2   11 o  172.582   10.672 12186.84  1488.15 16614.52  2880.24 10574.40  1738.13  200.391   17.890  160.316   13.478 40.07489 22.39841 
1 1 1   50    2   12 o   87.464   9.5797  3155.78  669.202  4585.32  965.770  1835.47  928.140  105.342   11.477   65.603   17.210 39.73863 20.68550 
1 1 1   50    2   13 o  338.824   13.468 47130.82  3705.21 49981.66  5272.64 44349.57  5207.88  346.625   18.804  326.041   19.765 20.58359 27.28141 
1 1 1   50    2   14 o  189.807   9.9536 14779.10  1528.67 15580.87  2180.73 14004.48  2143.49  193.957   13.940  183.684   14.489 10.27307 20.10647 
1 1 1   50    2   15 o   37.584   14.226  424.947  595.623  968.561  838.782 -127.9841  845.939   50.081   17.141   35.743   15.563 14.33875 23.15238 
1 1 1   50    2   16 o  102.113   10.811  4334.43  882.724  4731.48  1233.72  3917.96  1263.53  105.728   14.775   95.426   16.927 10.30156 22.46822 
1 1 1   50    2   17 o  168.064   10.897 11695.37  1478.99 11782.89  2105.03 11610.03  2078.44  166.966   15.712  165.762   15.627 1.203476 22.15989 
1 1 1   50    2   18 o  120.398   11.419  6059.77  1102.97  3686.95  1514.73  8737.87  1609.22   90.472   21.021  143.838   13.954 -53.36554 25.23059 
1 1 1   50    2   19 o  124.179   11.830  6490.98  1178.38  6650.36  1647.76  6324.13  1685.85  123.534   16.868  119.940   17.855 3.593849 24.56311 
1 1 1   50    2   20 o  168.750   11.696 12028.51  1592.65 10571.70  2234.12 13533.85  2271.02  153.981   18.222  176.109   16.058 -22.12784 24.28849 
1 1 1   50    2   21 o  106.232   13.842  4952.29  1165.58  4770.18  1587.28  5165.42  1717.12  100.239   20.200  103.745   21.103 -3.506805 29.21227 
1 1 1   50    4    0 o  439.813   22.768 79502.20  8103.02 77746.30 11392.48 81299.97 11527.52  432.125   32.712  442.063   32.340 -9.937988 45.99903 
1 1 1   50    4    1 o  344.807   18.691 48722.85  5213.49 52426.43  7252.14 44761.71  7500.08  356.381   25.225  328.411   28.406 27.97012 37.98927 
1 1 1   50    4    2 o  770.115   37.826 247243.80 23652.87 243071.41 33298.97 251492.91 33603.52  751.091   54.983  764.435   54.495 -13.34381 77.41367 
1 1 1   50    4    3 o  251.356   10.468 25703.62  2136.49 24985.20  2952.42 26493.40  3095.57  247.126   14.782  254.466   15.049 -7.340149 21.09421 
1 1 1   50    4    4 o  101.995   7.8797  4253.77  647.508  4410.67  864.253  4053.01  977.617  103.602   10.415   98.995   12.437 4.607491 16.22184 
1 1 1   50    4    5 o  364.665   13.765 54197.43  4075.82 56497.84  5725.20 51833.47  5803.75  371.188   19.060  355.271   20.203 15.91693 27.77472 
1 1 1   50    4    6 o  374.500   14.430 57196.05  4387.82 59541.20  6193.29 54832.63  6217.41  380.780   20.103  365.166   21.058 15.61417 29.11307 
1 1 1   50    4    7 o  380.318   14.459 59006.88  4465.02 60480.20  6317.92 57536.75  6311.07  383.605   20.357  374.011   20.865 9.594055 29.15025 
1 1 1   50    4    8 o  725.614   29.569 218443.09 17421.25 220398.50 21395.89 214596.59 30008.81  723.967   36.515  701.078   53.111 22.88922 64.45233 
1 1 1   50    4    9 o  522.937   19.143 112136.40  8128.18 115861.30 11510.56 108431.50 11479.47  528.346   26.920  510.716   27.787 17.63004 38.68877 
1 1 1   50    4   10 o  120.205   8.4467  5907.92  819.183  6182.68  1153.98  5628.81  1163.07  122.591   11.737  116.816   12.454 5.774780 17.11296 
1 1 1   50    4   11 o  237.202   10.578 22937.71  2037.25 23540.68  2915.23 22362.17  2848.14  239.326   15.079  233.226   15.121 6.099701 21.35496 
1 1 1   50    4   12 o  167.488   9.2652 11471.00  1255.11 10986.94  1805.46 11923.71  1746.03  163.190   13.754  170.240   12.723 -7.049683 18.73634 
1 1 1   50    4   13 o  128.894   9.3678  6818.39  973.712  7175.65  1391.15  6475.26  1363.34  131.569   13.200  124.820   13.676 6.749664 19.00710 
1 1 1   50    4   14 o  212.408   10.333 18474.71  1782.13 19065.60  2546.84 17907.81  2494.60  214.359   14.722  207.667   14.893 6.692703 20.94138 
1 1 1   50    4   15 o  154.344   9.4885  9791.22  1183.36  9003.61  1695.56 10539.20  1652.34  146.794   14.411  159.354   12.880 -12.55991 19.32838 
1 1 1   50    4   16 o  133.103   9.7591  7308.84  1047.37  7100.39  1493.05  7510.80  1469.63  129.976   14.389  133.926   13.708 -3.950195 19.87308 
1 1 1   50    4   17 o  143.064   10.401  8475.04  1199.99  6995.85  1688.70  9983.84  1705.52  127.913   16.654  154.263   13.761 -26.34991 21.60365 
1 1 1   50    4   18 o   23.028   11.112 -952.3585  623.822  265.225  798.865 -2855.0400  998.636   38.858   15.907   23.700   11.894 15.15798 19.86212 
1 1 1   50    4   19 o  130.835   10.869  7166.33  1144.24  6588.76  1585.80  7793.64  1652.68  123.154   16.256  134.509   15.410 -11.35560 22.39916 
1 1 1   50    4   20 o   88.172   14.171  3397.25  980.156  2188.53  1287.96  5060.56  1510.87   68.655   21.080  105.835   18.240 -37.18011 27.87573 
1 1 1   50    4   21 o  129.797   12.413  7274.27  1292.24  5053.72  1717.21 10173.66  1962.21  102.160   21.388  150.602   16.307 -48.44207 26.89498 
1 1 1   50    6    3 o  668.469   34.834 186261.80 18841.74 207581.91 26443.48 164275.00 26853.75  698.555   46.893  616.368   54.208 82.18719 71.67612 
1 1 1   50    6    4 f  220.519   12.623 19871.14  2250.83 29450.99  3579.15 13603.91  2894.93  268.086   16.523  181.236   20.006 86.85002 25.94689 
1 1 1   50    6    5 o  581.357   21.930 138627.20 10351.92 150795.00 14600.81 126328.30 14679.17  603.738   29.784  550.518   32.991 53.21991 44.44699 
1 1 1   50    6    6 o  379.167   15.374 58679.91  4733.32 65609.95  6679.08 51687.91  6708.87  399.557   20.658  353.858   23.483 45.69879 31.27627 
1 1 1   50    6    7 o   86.052   9.1654  3046.38  630.543  3164.10  746.653  2753.69  1177.33   87.509   10.733   80.444   18.421 7.065163 21.32008 
1 1 1   50    6    8 o  240.600   10.606 23571.05  2072.06 25076.79  2936.80 22078.49  2923.92  247.405   14.685  231.946   15.616 15.45903 21.43639 
1 1 1   50    6    9 o  226.492   9.7787 20883.44  1798.34 19215.13  2561.77 22504.33  2525.10  216.400   14.666  234.471   13.318 -18.07127 19.81090 
1 1 1   50    6   10 o  259.193   10.480 27372.63  2205.47 27644.24  3141.96 27108.83  3096.56  259.568   14.971  257.047   14.900 2.520721 21.12242 
1 1 1   50    6   11 o  183.155   8.9048 13662.65  1324.29 13160.21  1892.52 14144.71  1853.74  178.953   13.116  185.680   12.366 -6.727081 18.02641 
1 1 1   50    6   12 o  358.164   16.288 52820.34  4736.94 52747.49  8725.36 52850.77  5640.55  350.395   30.988  356.667   19.551 -6.272522 36.63999 
1 1 1   50    6   13 o  485.744   17.975 97942.41  7089.44 97219.30 10089.20 98647.67  9963.93  477.546   26.119  481.519   25.576 -3.972687 36.55600 
1 1 1   50    6   14 o  190.458   9.4365 14838.05  1459.31 13535.15  2084.78 16089.74  2043.39  180.481   14.345  197.305   12.824 -16.82350 19.24142 
1 1 1   50    6   15 o  197.738   10.465 16093.03  1674.21 17662.58  2400.23 14605.80  2336.43  205.946   14.445  186.809   15.545 19.13681 21.22002 
1 1 1   50    6   16 o  202.423   10.356 16891.05  1696.42 16696.75  2405.79 17083.20  2392.46  199.629   14.951  202.047   14.684 -2.418488 20.95547 
1 1 1   50    6   17 o  144.699   10.483  8677.16  1223.37  8533.91  1702.08  8830.25  1759.55  142.005   14.988  144.376   15.240 -2.371155 21.37519 
1 1 1   50    6   18 o  159.573   10.674 10587.69  1375.08 11680.42  1899.94  9385.68  1992.68  166.165   14.219  147.576   16.936 18.58902 22.11377 
1 1 1   50    6   19 o   34.876   14.565  146.097  688.105   39.902  850.740  347.009  1170.17   37.011   15.856   45.701   19.032 -8.689930 24.77151 
1 1 1   50    6   20 o   34.190   14.526   85.087  703.261 -115.3101  847.604  527.836  1259.87   35.058   15.413   48.121   19.869 -13.06363 25.14641 
1 1 1   50    6   21 f  106.468   12.546  4931.63  1063.79  4708.90  1327.83  5330.77  1777.51  101.523   16.688  104.381   21.681 -2.857925 27.35982 
1 1 1   50    8    0 o  113.961   18.421  5442.11  1646.35   0.0000   0.0000  5442.11  1646.35  ?   ?   113.961   18.421 0.000000 18.42059 
1 1 1   50    8    1 f  183.540   19.468 13934.34  2856.92   0.0000   0.0000 13934.34  2856.92  ?   ?   183.540   19.468 0.000000 19.46751 
1 1 1   50    8    3 o  553.650   41.879 129710.70 18687.40 129710.70 18687.40   0.0000   0.0000  553.650   41.879  ?   ?  0.000000 41.87927 
1 1 1   50    8    4 o  317.042   18.692 41258.84  4790.59 41258.84  4790.59   0.0000   0.0000  317.042   18.692  ?   ?  0.000000 18.69214 
1 1 1   50    8    5 o  541.161   28.437 121403.20 12451.41 129365.90 17246.95 112735.10 17994.75  553.944   38.586  514.368   43.493 39.57617 58.14247 
1 1 1   50    8    6 o  611.883   31.253 155957.80 15475.50 160699.41 21562.55 150921.00 22223.75  613.927   43.538  592.865   46.540 21.06219 63.73036 
1 1 1   50    8    7 o  108.990   8.7618  4863.20  768.834  6736.87  1113.57  3156.51  1062.80  128.174   10.801   86.587   15.695 41.58636 19.05188 
1 1 1   50    8    8 o  227.792   10.838 21135.19  2004.61 23958.40  2841.64 18338.45  2828.29  241.785   14.542  211.080   16.637 30.70500 22.09655 
1 1 1   50    8    9 o  323.043   14.374 42637.03  3770.35 43060.96  4660.37 41833.88  6414.61  323.624   17.804  316.999   25.127 6.625214 30.79547 
1 1 1   50    8   10 o  118.780   8.5328  5772.40  817.466  6865.71  1121.62  4533.60  1193.91  129.329   10.779  104.305   14.488 25.02447 18.05827 
1 1 1   50    8   11 o  123.817   8.4902  6273.66  848.410  6209.21  1164.54  6346.56  1238.55  122.719   11.834  123.977   12.473 -1.257813 17.19327 
1 1 1   50    8   12 o  376.950   14.992 58468.48  4588.48 59310.57  6543.01 57653.58  6436.48  376.447   21.495  371.160   21.449 5.287506 30.36601 
1 1 1   50    8   13 o   38.651   13.214  565.123  498.484  306.878  687.053  852.167  724.351   37.614   14.981   47.003   15.930 -9.388458 21.86749 
1 1 1   50    8   14 o  308.116   12.514 39090.89  3130.64 40414.35  4484.54 37832.81  4372.37  310.569   17.859  300.378   18.010 10.19165 25.36354 
1 1 1   50    8   15 o  267.337   11.201 29407.05  2431.29 28373.57  3479.69 30392.86  3398.49  260.072   16.564  269.692   15.586 -9.619965 22.74429 
1 1 1   50    8   16 o   40.059   14.013  598.662  561.972  1306.97  703.748 -647.8973  933.603   55.076   15.227   33.038   15.187 22.03725 21.50602 
1 1 1   50    8   17 o   42.591   14.353  716.649  588.003  1316.35  735.705 -343.8646  978.352   55.166   15.683   36.320   16.229 18.84605 22.56836 
1 1 1   50    8   18 o  125.866   10.453  6604.97  1058.61  6417.90  1428.54  6832.81  1576.57  122.538   14.648  126.009   15.753 -3.470085 21.51109 
1 1 1   50    8   19 o   66.330   13.439  1922.41  698.967  1992.96  825.473  1743.66  1313.86   66.958   15.491   63.185   21.454 3.773445 26.46206 
1 1 1   50    8   20 o   95.692   13.121  3975.27  992.608  3409.12  1259.71  4902.49  1612.11   85.813   18.615  102.406   20.106 -16.59247 27.39966 
1 1 1   50    8   21 o  118.145   12.273  6068.40  1160.13  6333.63  1546.05  5726.58  1755.10  117.628   16.653  108.593   20.660 9.034866 26.53561 
1 1 1   50   10    0 o  230.255   21.613 21934.72  3993.39   0.0000   0.0000 21934.72  3993.39  ?   ?   230.255   21.613 0.000000 21.61256 
1 1 1   50   10    3 o  172.007   21.457 12320.22  2931.59 12320.22  2931.59   0.0000   0.0000  172.007   21.457  ?   ?  0.000000 21.45690 
1 1 1   50   10    4 o  425.156   22.439 74459.09  7718.67 80511.88 11175.72 68938.30 10673.31  439.120   31.554  405.762   32.673 33.35840 45.42231 
1 1 1   50   10    5 o  258.247   16.495 27366.50  3440.72 31342.97  5095.07 24032.84  4665.12  275.130   23.019  240.399   24.230 34.73148 33.42099 
1 1 1   50   10    6 o  195.842   8.8483 15603.00  1407.03 13982.13  1677.05 19456.32  2585.77  184.939   11.221  217.812   14.707 -32.87279 18.49883 
1 1 1   50   10    7 o  131.016   9.6530  7024.60  1019.66  7095.12  1259.61  6890.54  1736.74  131.402   11.936  128.663   17.044 2.739075 20.80768 
1 1 1   50   10    8 o  367.907   16.076 55382.23  4802.49 58919.40  7973.30 53368.35  6016.25  376.186   26.268  359.671   20.688 16.51593 33.43668 
1 1 1   50   10    9 o  294.917   15.912 35719.23  3796.12 35687.38  5151.46 35757.08  5615.58  293.330   21.784  293.020   23.808 0.3109131 32.27084 
1 1 1   50   10   10 o   80.818   8.3838  2687.85  542.151  3277.89  684.207  1692.34  888.729   89.174   9.6009   63.117   16.973 26.05642 19.50018 
1 1 1   50   10   11 o  160.141   8.6065 10483.03  1114.99  9816.98  1546.39 11204.27  1609.16  154.368   12.443  165.042   12.092 -10.67410 17.35069 
1 1 1   50   10   12 o  346.239   13.556 49288.43  3811.18 46805.70  5446.44 51670.55  5334.94  334.321   20.158  352.044   18.731 -17.72324 27.51710 
1 1 1   50   10   13 o  191.010   9.8026 14969.93  1515.20 15960.61  2153.70 13999.02  2132.11  196.311   13.595  183.560   14.421 12.75081 19.81920 
1 1 1   50   10   14 o   29.841   11.882  191.001  432.156  290.844  531.904  -2.9034  741.256   33.983   13.290   34.712   14.834 -0.7292519 19.91687 
1 1 1   50   10   15 o  180.157   9.7513 13360.25  1421.12 13619.62  1991.02 13090.88  2029.07  180.722   13.669  176.960   14.242 3.761993 19.74063 
1 1 1   50   10   16 o  334.901   14.369 46827.09  3907.41 47998.03  5626.33 45736.18  5430.67  333.450   20.886  325.698   20.642 7.752472 29.36514 
1 1 1   50   10   17 o  217.021   10.796 19489.27  1902.49 19671.86  2701.98 19309.75  2679.22  215.368   15.556  213.357   15.573 2.011536 22.01149 
1 1 1   50   10   18 o  186.023   10.882 14432.93  1636.57 15631.69  2273.16 13142.93  2358.09  191.546   14.729  174.270   16.876 17.27568 22.39949 
1 1 1   50   10   19 o   67.698   14.110  2020.85  750.450  2943.35  924.915  243.424  1283.85   81.930   14.431   46.052   19.597 35.87805 24.33701 
1 1 1   50   10   20 o   75.032   13.957  2500.57  819.034  2105.67  986.753  3375.25  1468.54   67.244   17.795   83.290   21.550 -16.04654 27.94799 
1 1 1   50   12    0 o  276.843   24.298 31800.80  5406.66   0.0000   0.0000 31800.80  5406.66  ?   ?   276.843   24.298 0.000000 24.29806 
1 1 1   50   12    1 o  251.611   22.738 26233.06  4595.10   0.0000   0.0000 26233.06  4595.10  ?   ?   251.611   22.738 0.000000 22.73757 
1 1 1   50   12    2 o  407.114   31.481 69323.52 10325.59   0.0000   0.0000 69323.52 10325.59  ?   ?   407.114   31.481 0.000000 31.48106 
1 1 1   50   12    3 o  223.984   15.272 20581.43  2760.82 23151.37  4163.60 18564.81  3688.25  236.384   21.943  211.493   21.790 24.89107 30.92379 
1 1 1   50   12    4 o  494.971   25.495 101408.90 10211.59 111539.50 14739.65 92058.70 14160.50  514.642   35.490  466.231   37.729 48.41101 51.79810 
1 1 1   50   12    5 o  168.676   14.464 11700.77  1961.80 10208.44  3064.82 12736.67  2553.48  155.359   25.156  175.416   18.192 -20.05685 31.04461 
1 1 1   50   12    6 o  335.608   15.323 46036.26  4175.52 48896.80  7690.36 44840.45  4972.26  342.163   27.924  330.184   18.622 11.97925 33.56410 
1 1 1   50   12    7 o  143.885   13.625  8527.46  1572.80  7069.90  2748.65  9237.02  1917.79  128.184   27.248  149.405   16.061 -21.22057 31.62933 
1 1 1   50   12    8 o  271.243   10.845 29990.15  2388.54 30969.13  2926.97 28038.66  4132.53  275.381   13.090  260.354   19.694 15.02658 23.64769 
1 1 1   50   12    9 o  192.446   12.396 15190.81  1926.70 17275.58  2484.97 12048.56  3050.79  204.808   15.048  169.075   22.804 35.73325 27.32196 
1 1 1   50   12   10 o  111.900   7.9302  5125.25  715.864  4040.43  944.848  6587.16  1096.84   98.681   12.042  126.553   10.777 -27.87225 16.15999 
1 1 1   50   12   11 o  182.262   9.4277 13600.01  1390.44 11783.14  2048.38 15152.53  1893.50  168.465   15.136  191.886   12.217 -23.42073 19.45135 
1 1 1   50   12   12 o  231.298   10.556 21912.47  1982.57 20710.11  2789.68 23139.46  2818.09  223.230   15.487  236.258   14.764 -13.02817 21.39672 
1 1 1   50   12   13 o  101.692   12.986  4330.13  1047.81  5635.80  2893.11  4133.00  1124.13  111.092   30.932   98.967   14.412 12.12464 34.12467 
1 1 1   50   12   14 o   51.071   11.014  1113.22  443.300  1321.23  516.378  530.365  864.389   55.604   11.802   43.799   16.994 11.80485 20.69043 
1 1 1   50   12   15 o  116.179   9.0035  5568.64  842.698  5711.94  1084.18  5349.92  1339.38  117.081   11.555  112.264   15.074 4.816841 18.99375 
1 1 1   50   12   16 o   29.586   11.663  210.204  412.492  131.942  457.507  550.224  953.618   29.375   12.033   45.185   17.759 -15.80988 21.45146 
1 1 1   50   12   17 o   21.497   9.9987 -371.6762  422.557 -710.9033  474.734  922.052  927.101   20.231   9.7451   49.650   17.934 -29.41862 20.41059 
1 1 1   50   12   18 o  110.641   9.9971  5121.10  888.408  5438.24  1132.38  4613.40  1432.76  113.115   12.540  101.711   18.008 11.40421 21.94398 
1 1 1   50   12   19 o   51.032   13.430  1152.92  564.059  985.427  655.496  1630.82  1107.22   47.723   15.099   60.194   19.678 -12.47116 24.80321 
1 1 1   50   12   20 o   56.004   12.810  1401.26  569.864  1281.78  647.367  1812.55  1201.09   53.154   14.567   61.897   20.508 -8.743244 25.15478 
1 1 1   50   14    0 o  426.234   33.424 76468.67 11474.79   0.0000   0.0000 76468.67 11474.79  ?   ?   426.234   33.424 0.000000 33.42359 
1 1 1   50   14    1 o  557.658   42.255 133134.80 18990.84   0.0000   0.0000 133134.80 18990.84  ?   ?   557.658   42.255 0.000000 42.25484 
1 1 1   50   14    2 o  451.377   34.750 85953.69 12638.08   0.0000   0.0000 85953.69 12638.08  ?   ?   451.377   34.750 0.000000 34.74998 
1 1 1   50   14    3 o  327.834   19.554 44259.36  5181.45 43637.31  7658.58 44784.42  7036.27  322.610   29.566  327.812   26.666 -5.201813 39.81482 
1 1 1   50   14    4 o  522.897   27.600 113778.00 11676.61 115668.10 16859.47 112035.60 16187.47  520.227   40.225  512.601   39.189 7.625732 56.15925 
1 1 1   50   14    5 f  563.300   29.453 132570.00 13424.52 135242.00 19354.45 130092.60 18636.20  560.263   42.871  550.043   42.046 10.22021 60.04792 
1 1 1   50   14    6 o  518.194   21.100 110595.40  8877.93 121278.50 15997.25 105840.70 10672.22  533.589   37.155  504.379   26.149 29.21063 45.43413 
1 1 1   50   14    7 o  369.324   15.994 55884.95  4796.32 64376.08  8966.55 52481.56  5676.74  391.642   28.389  356.549   19.685 35.09308 34.54626 
1 1 1   50   14    8 o  584.277   23.927 141891.59 11351.45 150106.50 20401.63 138208.09 13661.39  584.485   43.297  572.532   29.487 11.95251 52.38402 
1 1 1   50   14    9 o  634.897   33.079 173185.70 16993.52 180003.91 24705.05 167062.59 23411.99  627.425   48.879  605.553   48.009 21.87189 68.51320 
1 1 1   50   14   10 f  251.058   17.024 26176.30  3449.83 25812.81  5621.35 26395.92  4369.43  244.289   28.900  250.383   21.707 -6.094040 36.14424 
1 1 1   50   14   11 o  126.709   9.2194  6595.29  942.018  5942.17  1112.71  8247.77  1769.92  119.816   11.582  140.338   15.808 -20.52251 19.59654 
1 1 1   50   14   12 o  116.547   8.1459  5574.52  766.015  4956.96  990.128  6495.22  1208.97  109.296   11.321  125.105   12.051 -15.80906 16.53433 
1 1 1   50   14   13 o  105.451   13.787  4678.01  1152.19   0.0000   0.0000  4678.01  1152.19  ?   ?   105.451   13.787 0.000000 13.78675 
1 1 1   50   14   14 o   74.024   8.5399  2273.41  503.878  2223.11  599.098  2395.01  931.485   72.807   10.432   74.332   15.914 -1.525009 19.02828 
1 1 1   50   14   15 o   56.478   9.8466  1349.51  435.131  826.389  506.748  2817.87  848.996   44.238   13.146   81.307   13.321 -37.06937 18.71567 
1 1 1   50   14   16 f  102.266   8.9091  4334.35  732.391  3729.67  886.462  5634.79  1299.99   94.038   11.874  115.073   14.215 -21.03454 18.52236 
1 1 1   50   14   17 o   27.826   11.131  166.971  380.919  106.215  409.889  551.765  1031.55   27.525   11.346   45.953   18.339 -18.42793 21.56519 
1 1 1   50   14   18 o   64.870   10.266  1794.42  522.742  1896.29  574.786  1307.09  1257.18   66.495   11.032   57.001   20.839 9.494526 23.57880 
1 1 1   50   14   19 o   54.727   11.978  1319.27  517.500  1273.71  577.976  1503.45  1162.05   53.423   13.359   58.099   20.161 -4.675098 24.18530 
1 1 1   50   16    0 o  234.432   23.823 22934.78  4471.75   0.0000   0.0000 22934.78  4471.75  ?   ?   234.432   23.823 0.000000 23.82314 
1 1 1   50   16    1 o  447.680   35.184 85007.85 12686.46   0.0000   0.0000 85007.85 12686.46  ?   ?   447.680   35.184 0.000000 35.18419 
1 1 1   50   16    2 o  301.573   26.214 37995.12  6355.18   0.0000   0.0000 37995.12  6355.18  ?   ?   301.573   26.214 0.000000 26.21434 
1 1 1   50   16    3 o  148.839   15.883  9167.76  1889.88  7565.91  3014.86 10204.64  2425.61  132.296   28.877  156.411   19.524 -24.11497 34.85790 
1 1 1   50   16    4 o  377.590   21.820 58994.61  6661.18 59045.75  9824.74 58951.09  9062.08  373.426   32.733  374.318   30.070 -0.8919983 44.44801 
1 1 1   50   16    5 o  336.094   14.349 46196.79  3915.71 55386.79  7489.73 42740.05  4593.47  364.332   25.478  322.214   17.624 42.11771 30.98005 
1 1 1   50   16    6 o  303.363   13.665 37636.04  3366.03 47090.68  6637.48 34362.72  3905.48  335.809   24.512  288.883   16.722 46.92636 29.67255 
1 1 1   50   16    7 o  254.773   13.000 26620.13  2680.40 26925.15  5484.47 26524.41  3072.32  252.036   27.233  253.898   14.969 -1.861282 31.07568 
1 1 1   50   16    8 o  318.649   14.259 41678.48  3689.16 48404.43  7317.74 39386.52  4271.73  337.760   26.906  308.570   17.117 29.19080 31.88895 
1 1 1   50   16    9 o  108.804   11.310  4897.86  984.614  4526.33  2768.21  4951.67  1053.51  101.683   30.841  109.265   12.076 -7.582275 33.12153 
1 1 1   50   16   10 o  105.878   12.017  4660.21  1014.78  5728.45  3063.12  4528.51  1075.51  112.574   31.999  104.144   13.002 8.429443 34.54000 
1 1 1   50   16   11 o   37.945   14.745  380.684  651.452 -2104.2830  3283.62  482.501  664.664   61.190   28.255   39.802   15.037 21.38838 32.00709 
1 1 1   50   16   12 o   30.048   14.064 -827.9423  857.616  4319.33  2676.99 -1416.6520  905.333   97.865   30.447   27.584   13.329 70.28056 33.23720 
1 1 1   50   16   13 o   66.727   21.723  1873.84  1349.83   0.0000   0.0000  1873.84  1349.83  ?   ?    66.727   21.723 0.000000 21.72276 
1 1 1   50   16   14 o   87.179   16.743  3302.05  1142.09   0.0000   0.0000  3302.05  1142.09  ?   ?    87.179   16.743 0.000000 16.74287 
1 1 1   50   16   15 f   30.465   14.059 -596.7935  810.997   0.0000   0.0000 -596.7935  810.997  ?   ?    30.465   14.059 0.000000 14.05876 
1 1 1   50   16   16 o   79.429   8.8703  2631.36  562.310  2720.51  652.206  2373.17  1109.91   80.441   10.216   72.666   18.702 7.775208 21.30998 
1 1 1   50   16   17 o   94.374   8.9543  3716.71  677.945  3559.24  794.470  4138.53  1300.31   91.748   10.876   96.399   17.246 -4.651024 20.38885 
1 1 1   50   16   18 o   34.373   11.398  479.546  370.986  571.053  398.020 -126.2472  1024.10   36.937   11.774   38.260   16.876 -1.322979 20.57775 
1 1 1   50   16   19 o  127.934   9.8564  6935.51  1015.97  6817.72  1231.81  7186.12  1796.77  125.431   12.251  124.216   18.368 1.214378 22.07928 
1 1 1   50   18    0 o  189.751   23.142 15113.08  3491.66   0.0000   0.0000 15113.08  3491.66  ?   ?   189.751   23.142 0.000000 23.14205 
1 1 1   50   18    1 o  585.055   45.746 150391.00 21558.60   0.0000   0.0000 150391.00 21558.60  ?   ?   585.055   45.746 0.000000 45.74632 
1 1 1   50   18    2 o  410.051   33.217 71491.33 10964.52   0.0000   0.0000 71491.33 10964.52  ?   ?   410.051   33.217 0.000000 33.21703 
1 1 1   50   18    3 o  431.183   34.296 79359.12 11907.90   0.0000   0.0000 79359.12 11907.90  ?   ?   431.183   34.296 0.000000 34.29562 
1 1 1   50   18    4 o  158.179   16.228 10372.57  2054.69  9927.45  3408.92 10626.55  2575.00  151.516   28.761  159.193   20.390 -7.677795 35.25521 
1 1 1   50   18    5 o   46.127   12.486  898.737  479.084  3153.48  2120.52  777.458  491.800   86.815   27.113   43.366   12.965 43.44851 30.05373 
1 1 1   50   18    6 o  179.813   11.512 13270.09  1671.89 14091.67  3943.35 13090.04  1846.02  180.888   27.733  178.350   12.833 2.538651 30.55826 
1 1 1   50   18    7 o   95.443   11.267  3777.63  856.318  3374.53  2612.56  3826.15  906.388   90.483   30.255   95.950   11.889 -5.467598 32.50721 
1 1 1   50   18    8 o  350.632   15.779 50812.95  4492.25 53120.20  8898.46 50023.82  5204.08  348.034   31.842  346.259   18.578 1.774872 36.86491 
1 1 1   50   18    9 o  333.657   21.293 47086.39  5738.46 47959.97  8985.67 46484.74  7457.19  326.568   34.405  326.490   28.413 0.7812500E-01 44.62083 
1 1 1   50   18   10 o  282.457   14.363 33106.93  3283.25 40205.57  7344.35 31333.95  3670.43  300.496   30.524  273.782   16.589 26.71457 34.74111 
1 1 1   50   18   11 o  208.686   12.849 18059.55  2166.61 20583.76  5411.15 17577.61  2364.42  211.812   32.501  205.372   14.268 6.440460 35.49461 
1 1 1   50   18   12 o   43.207   16.908  496.171  861.344  4014.96  4164.65  338.926  880.379   98.616   37.547   41.524   16.811 57.09163 41.13867 
1 1 1   50   18   13 o  191.638   17.599 15665.97  2707.85 23238.82  6247.87 13914.50  3004.72  218.358   36.530  178.649   21.123 39.70831 42.19695 
1 1 1   50   18   14 o  241.005   19.356 25137.65  3755.71 26976.35  7261.85 24466.25  4388.15  227.893   40.740  234.511   23.356 -6.617432 46.95980 
1 1 1   50   18   15 o   30.059   14.597 -1807.4380  1120.63   0.0000   0.0000 -1807.4380  1120.63  ?   ?    30.059   14.597 0.000000 14.59715 
1 1 1   50   18   16 o  105.284   16.429  4870.71  1358.57   0.0000   0.0000  4870.71  1358.57  ?   ?   105.284   16.429 0.000000 16.42855 
1 1 1   50   18   17 o   45.446   18.669  469.338  1105.13 -7865.5308  5512.80  818.315  1128.03   60.074   29.793   49.626   19.369 10.44791 35.53579 
1 1 1   50   18   18 o   62.084   21.357  1799.93  1302.72   0.0000   0.0000  1799.93  1302.72  ?   ?    62.084   21.357 0.000000 21.35748 
1 1 1   50   20    0 f  404.336   18.667 67449.30  6128.59   0.0000   0.0000 67449.30  6128.59  ?   ?   404.336   18.667 0.000000 18.66720 
1 1 1   50   20    1 o  304.647   17.405 38336.05  4287.44   0.0000   0.0000 38336.05  4287.44  ?   ?   304.647   17.405 0.000000 17.40477 
1 1 1   50   20    2 o  246.280   24.941 25604.28  4918.69   0.0000   0.0000 25604.28  4918.69  ?   ?   246.280   24.941 0.000000 24.94090 
1 1 1   50   20    3 o  223.851   12.909 20586.12  2336.37   0.0000   0.0000 20586.12  2336.37  ?   ?   223.851   12.909 0.000000 12.90889 
1 1 1   50   20    4 o  185.742   10.653 14142.60  1599.87 13860.89  4273.91 14188.51  1725.31  177.910   30.695  185.899   11.486 -7.988678 32.77380 
1 1 1   50   20    5 o  216.199   10.651 19114.70  1869.83 24151.06  4733.65 18183.58  2035.34  238.094   24.852  210.338   11.967 27.75595 27.58287 
1 1 1   50   20    6 f  245.643   11.768 24744.08  2347.14 37862.06  5995.57 22369.80  2550.72  297.767   25.030  232.805   13.552 64.96242 28.46355 
1 1 1   50   20    7 o  171.062   11.359 12057.25  1568.69 20015.01  4539.62 10978.18  1671.67  214.509   26.637  162.877   12.742 51.63138 29.52769 
1 1 1   50   20    8 o   49.112   13.639  1025.69  563.248 -4446.6821  3730.06  1153.38  569.782   58.224   27.854   51.906   13.420 6.318474 30.91859 
1 1 1   50   20    9 o  235.322   19.103 23455.76  3618.51 28389.60  6616.10 21350.02  4322.26  249.010   33.579  221.562   24.432 27.44801 41.52652 
1 1 1   50   20   10 o   35.345   14.407  210.482  651.731  4178.67  4041.92  104.559  660.372   99.800   37.207   34.104   14.258 65.69634 39.84511 
1 1 1   50   20   11 o  133.531   13.195  7466.54  1411.88  7559.67  4551.26  7456.62  1485.15  123.022   39.878  133.211   13.937 -10.18881 42.24354 
1 1 1   50   20   12 o   96.610   14.812  3989.53  1124.86  3458.90  5118.20  4016.46  1153.06   97.649   40.153   96.831   15.163 0.8175049 42.92057 
1 1 1   50   20   13 o   76.325   17.467  2574.10  1059.04  7896.04  5633.14  2379.11  1078.26  120.398   44.096   73.193   18.216 47.20487 47.71049 
1 1 1   50   20   14 o  248.769   15.185 26320.01  3052.62 28920.22  8854.56 25969.29  3251.99  215.701   51.304  246.211   16.360 -30.51030 53.84960 
1 1 1   50   20   15 o   95.108   23.528  4279.42  1806.89  9398.50  6885.96  3900.88  1872.51  118.400   47.338   90.216   24.796 28.18393 53.43859 
1 1 1   50   20   16 o   32.883   15.884 -1784.0370  1282.39  571.230  4302.92 -2013.6260  1343.44   73.294   33.275   32.979   16.008 40.31431 36.92536 
1 1 1   50   20   17 o   94.340   20.212  4244.48  1501.63   0.0000   0.0000  4244.48  1501.63  ?   ?    94.340   20.212 0.000000 20.21173 
1 1 1   50   22    0 o  463.776   25.689 91400.67  9635.80   0.0000   0.0000 91400.67  9635.80  ?   ?   463.776   25.689 0.000000 25.68855 
1 1 1   50   22    1 o  244.326   15.709 24738.91  3099.88   0.0000   0.0000 24738.91  3099.88  ?   ?   244.326   15.709 0.000000 15.70889 
1 1 1   50   22    2 o   90.839   8.5760  3397.05  625.060   0.0000   0.0000  3397.05  625.060  ?   ?    90.839   8.5760 0.000000 8.575959 
1 1 1   50   22    3 o  133.710   10.164  7356.23  1095.26   0.0000   0.0000  7356.23  1095.26  ?   ?   133.710   10.164 0.000000 10.16434 
1 1 1   50   22    4 o  165.478   10.431 11258.82  1394.30 18236.43  4810.11 10618.75  1456.85  202.870   30.115  160.519   11.249 42.35089 32.14740 
1 1 1   50   22    5 o  248.395   12.271 25383.19  2474.90 30291.61  6605.33 24581.59  2669.35  260.258   31.927  243.737   13.541 16.52170 34.67987 
1 1 1   50   22    6 o  135.230   10.783  7553.11  1174.20 14491.34  3983.84  6893.03  1228.79  180.571   28.084  128.908   11.873 51.66266 30.49094 
1 1 1   50   22    7 f  115.685   11.705  5564.28  1084.37  3893.85  4361.93  5674.31  1119.52   99.930   38.336  116.772   11.977 -16.84180 40.16300 
1 1 1   50   22    8 o   99.020   22.932  4369.21  1807.47  2364.99  3974.68  4891.72  2029.45   88.210   35.718  104.405   24.381 -16.19508 43.24589 
1 1 1   50   22    9 o   91.685   14.388  3577.67  1035.89   31.793  4206.10  3806.63  1068.81   77.582   34.212   94.642   14.359 -17.05990 37.10351 
1 1 1   50   22   10 o  100.714   14.485  4314.48  1150.46  6611.37  5331.27  4202.29  1178.22  115.873   42.823   99.179   15.108 16.69375 45.41029 
1 1 1   50   22   11 o   51.652   18.664  987.357  1004.25  4230.34  5288.96  866.063  1022.86  101.324   41.141   50.212   18.718 51.11138 45.19861 
1 1 1   50   22   12 o   71.914   19.670  2314.66  1181.71  7670.06  5907.39  2091.43  1206.08  118.026   44.770   68.589   20.256 49.43715 49.13961 
1 1 1   50   22   13 o  157.219   14.595 10538.03  1841.95 26428.48  7353.61  9474.30  1902.60  216.946   43.263  148.268   16.061 68.67830 46.14789 
1 1 1   50   22   14 o   55.909   20.115  1253.23  1164.87 -2290.3020  7130.84  1350.39  1180.73   81.251   38.771   57.303   20.290 23.94858 43.75909 
1 1 1   50   22   15 o  107.365   18.924  5263.37  1589.43   0.0000   0.0000  5263.37  1589.43  ?   ?   107.365   18.924 0.000000 18.92371 
1 1 1   50   22   16 o  118.945   16.862  6404.08  1582.89   0.0000   0.0000  6404.08  1582.89  ?   ?   118.945   16.862 0.000000 16.86171 
1 1 1   50   22   17 o   45.647   20.894 -414.7458  1741.57   0.0000   0.0000 -414.7458  1741.57  ?   ?    45.647   20.894 0.000000 20.89400 
1 1 1   50   24    0 o   24.566   10.951 -173.8775  442.724   0.0000   0.0000 -173.8775  442.724  ?   ?    24.566   10.951 0.000000 10.95147 
1 1 1   50   24    1 o  322.785   14.539 43174.75  3810.57   0.0000   0.0000 43174.75  3810.57  ?   ?   322.785   14.539 0.000000 14.53912 
1 1 1   50   24    2 o  159.979   10.631 10552.51  1373.02   0.0000   0.0000 10552.51  1373.02  ?   ?   159.979   10.631 0.000000 10.63056 
1 1 1   50   24    3 o  230.128   13.045 21945.19  2427.57   0.0000   0.0000 21945.19  2427.57  ?   ?   230.128   13.045 0.000000 13.04531 
1 1 1   50   24    4 o   58.553   11.167  1456.01  511.553   0.0000   0.0000  1456.01  511.553  ?   ?    58.553   11.167 0.000000 11.16728 
1 1 1   50   24    5 o   84.981   11.382  3025.26  765.635  7333.99  4459.90  2894.43  777.172  122.782   39.442   82.978   11.874 39.80437 41.19065 
1 1 1   50   24    6 o  110.783   11.850  5121.19  1049.42 12368.23  4838.84  4763.50  1075.01  158.672   38.049  106.591   12.669 52.08140 40.10320 
1 1 1   50   24    7 o  119.385   12.318  5958.03  1176.88 11336.00  5216.72  5669.64  1208.02  148.357   41.617  116.235   13.024 32.12193 43.60697 
1 1 1   50   24    8 o  238.701   14.255 23862.31  2750.21 30888.72  7504.05 22772.09  2955.88  250.553   38.085  232.379   15.759 18.17368 41.21654 
1 1 1   50   24    9 o  111.463   14.199  5272.78  1255.86 15370.29  5991.72  4808.79  1284.39  168.918   43.441  105.976   15.375 62.94170 46.08130 
1 1 1   50   24   10 o   83.877   17.041  3090.02  1120.98  7282.69  6330.79  2954.31  1138.98  116.734   45.795   81.779   17.669 34.95544 49.08551 
1 1 1   50   24   11 o  163.688   14.481 11381.88  1904.79 24820.10  7672.11 10499.14  1966.35  206.621   46.814  156.576   15.677 50.04518 49.36940 
1 1 1   50   24   12 o  168.126   14.697 12082.70  1986.13 22471.85  7216.35 11231.23  2065.91  192.300   46.686  161.321   15.982 30.97881 49.34551 
1 1 1   50   24   13 o   34.680   15.997 -681.9748  1048.44 -698.2866  6081.77 -681.4751  1064.37   79.552   37.305   34.999   16.135 44.55335 40.64457 
1 1 1   50   24   14 f   52.960   20.611  987.363  1274.45   0.0000   0.0000  987.363  1274.45  ?   ?    52.960   20.611 0.000000 20.61086 
1 1 1   50   24   15 f  104.247   20.539  5200.04  1676.73   0.0000   0.0000  5200.04  1676.73  ?   ?   104.247   20.539 0.000000 20.53941 
1 1 1   50   24   16 o  101.997   20.872  5154.50  1670.33   0.0000   0.0000  5154.50  1670.33  ?   ?   101.997   20.872 0.000000 20.87192 
1 1 1   50   26    0 o   67.267   19.878  1968.53  1161.18   0.0000   0.0000  1968.53  1161.18  ?   ?    67.267   19.878 0.000000 19.87836 
1 1 1   50   26    1 o   62.121   20.227  1614.38  1170.33   0.0000   0.0000  1614.38  1170.33  ?   ?    62.121   20.227 0.000000 20.22707 
1 1 1   50   26    2 o  201.874   11.562 16883.00  1887.36   0.0000   0.0000 16883.00  1887.36  ?   ?   201.874   11.562 0.000000 11.56237 
1 1 1   50   26    3 o  232.962   13.186 22605.81  2483.96   0.0000   0.0000 22605.81  2483.96  ?   ?   232.962   13.186 0.000000 13.18584 
1 1 1   50   26    4 o  310.773   16.151 40702.13  4061.50   0.0000   0.0000 40702.13  4061.50  ?   ?   310.773   16.151 0.000000 16.15117 
1 1 1   50   26    5 o  240.434   14.157 24215.02  2751.54 23198.70  8537.38 24332.82  2906.64  199.797   52.090  240.596   14.953 -40.79860 54.19384 
1 1 1   50   26    6 o  125.206   23.561  7065.79  2307.34 22074.19  6191.01  4644.86  2486.48  210.500   37.602   99.327   29.014 111.1731 47.49420 
1 1 1   50   26    7 o  147.254   12.679  9090.20  1501.22 24352.74  6480.04  8224.60  1543.20  220.101   37.610  139.610   13.794 80.49124 40.05968 
1 1 1   50   26    8 o  112.263   14.532  5380.02  1293.59  9522.39  6500.48  5209.21  1319.99  127.416   47.247  110.212   15.151 17.20425 49.61727 
1 1 1   50   26    9 o  101.566   16.135  4484.09  1286.13  7334.62  6664.14  4373.81  1310.77  114.483   46.287  100.049   16.726 14.43422 49.21584 
1 1 1   50   26   10 f  182.562   14.716 14222.02  2162.95 21041.06  7940.08 13675.45  2247.97  176.945   51.893  178.422   15.676 -1.476593 54.20935 
1 1 1   50   26   11 o  116.952   16.625  6008.18  1534.28 -366.8623  8703.12  6212.66  1558.69   90.463   43.074  118.974   16.586 -28.51155 46.15686 
1 1 1   50   26   12 o  120.791   17.462  6514.43  1662.96   0.0000   0.0000  6514.43  1662.96  ?   ?   120.791   17.462 0.000000 17.46230 
1 1 1   50   26   13 o  151.174   16.474 10182.48  1989.43   0.0000   0.0000 10182.48  1989.43  ?   ?   151.174   16.474 0.000000 16.47407 
1 1 1   50   26   14 f  140.908   17.496  9110.47  1958.73   0.0000   0.0000  9110.47  1958.73  ?   ?   140.908   17.496 0.000000 17.49647 
1 1 1   50   28    0 o  270.714   20.921 32040.37  4563.04   0.0000   0.0000 32040.37  4563.04  ?   ?   270.714   20.921 0.000000 20.92129 
1 1 1   50   28    1 o   77.258   23.498  2689.09  1605.35   0.0000   0.0000  2689.09  1605.35  ?   ?    77.258   23.498 0.000000 23.49848 
1 1 1   50   28    2 o   44.559   19.455 -119.6587  1330.00   0.0000   0.0000 -119.6587  1330.00  ?   ?    44.559   19.455 0.000000 19.45493 
1 1 1   50   28    3 o  187.275   22.450 15597.66  3345.76   0.0000   0.0000 15597.66  3345.76  ?   ?   187.275   22.450 0.000000 22.45022 
1 1 1   50   28    4 o  152.561   22.624 10439.25  2717.60   0.0000   0.0000 10439.25  2717.60  ?   ?   152.561   22.624 0.000000 22.62396 
1 1 1   50   28    5 o   97.266   12.100  3997.08  934.987   0.0000   0.0000  3997.08  934.987  ?   ?    97.266   12.100 0.000000 12.10029 
1 1 1   50   28    6 o  109.801   12.649  5102.72  1107.10 13698.95  7206.07  4894.92  1120.40  144.968   50.211  107.348   13.128 37.62081 51.89840 
1 1 1   50   28    7 o  233.421   14.551 23145.58  2744.19 31006.31  9799.51 22476.70  2858.56  212.678   55.982  229.378   15.438 -16.70003 58.07195 
1 1 1   50   28    8 o   42.121   16.340  530.765  799.015  4196.19  7282.50  486.104  803.868   99.877   44.478   41.572   16.315 58.30513 47.37646 
1 1 1   50   28    9 o   68.857   18.808  2160.26  1081.26  2884.21  8040.54  2146.93  1091.17   95.469   44.130   68.627   18.955 26.84251 48.02859 
1 1 1   50   28   10 o   79.957   19.937  2977.43  1289.92   0.0000   0.0000  2977.43  1289.92  ?   ?    79.957   19.937 0.000000 19.93716 
1 1 1   50   28   11 o   38.654   17.291 -266.5136  1113.73   0.0000   0.0000 -266.5136  1113.73  ?   ?    38.654   17.291 0.000000 17.29062 
1 1 1   50   28   12 o   66.486   21.130  2128.46  1282.56   0.0000   0.0000  2128.46  1282.56  ?   ?    66.486   21.130 0.000000 21.12961 
1 1 1   50   28   13 f   24.612   12.258 -2262.7229  973.344   0.0000   0.0000 -2262.7229  973.344  ?   ?    24.612   12.258 0.000000 12.25772 
1 1 1   50   30    0 o   82.746   23.349  3200.14  1637.08   0.0000   0.0000  3200.14  1637.08  ?   ?    82.746   23.349 0.000000 23.34912 
1 1 1   50   30    1 o   91.818   25.789  4033.05  2001.95   0.0000   0.0000  4033.05  2001.95  ?   ?    91.818   25.789 0.000000 25.78932 
1 1 1   50   30    2 o  143.722   25.705  9729.09  2889.63   0.0000   0.0000  9729.09  2889.63  ?   ?   143.722   25.705 0.000000 25.70534 
1 1 1   50   30    3 o  128.787   10.795  6947.27  1118.41   0.0000   0.0000  6947.27  1118.41  ?   ?   128.787   10.795 0.000000 10.79481 
1 1 1   50   30    4 o   47.422   12.086  978.011  466.715   0.0000   0.0000  978.011  466.715  ?   ?    47.422   12.086 0.000000 12.08554 
1 1 1   50   30    5 o   16.374   8.0223 -699.1216  360.578   0.0000   0.0000 -699.1216  360.578  ?   ?    16.374   8.0223 0.000000 8.022272 
1 1 1   50   30    6 o   73.634   14.247  2379.11  821.029   0.0000   0.0000  2379.11  821.029  ?   ?    73.634   14.247 0.000000 14.24733 
1 1 1   50   30    7 o   42.995   16.109  646.607  759.564 -1770.9420  7191.65  673.879  763.836   80.558   38.575   43.471   16.181 37.08761 41.83101 
1 1 1   50   30    8 o   34.686   14.875   44.056  750.066   0.0000   0.0000   44.056  750.066  ?   ?    34.686   14.875 0.000000 14.87504 
1 1 1   50   30    9 o   81.043   18.755  3068.45  1209.75   0.0000   0.0000  3068.45  1209.75  ?   ?    81.043   18.755 0.000000 18.75547 
1 1 1   50   30   10 o   27.056   13.146 -1414.2180  912.339   0.0000   0.0000 -1414.2180  912.339  ?   ?    27.056   13.146 0.000000 13.14627 
1 1 1   50   30   11 f   53.883   20.824  1186.40  1293.99   0.0000   0.0000  1186.40  1293.99  ?   ?    53.883   20.824 0.000000 20.82437 
1 1 1   50   30   12 o   82.589   22.850  3622.89  1584.03   0.0000   0.0000  3622.89  1584.03  ?   ?    82.589   22.850 0.000000 22.84956 
1 1 1   50   32    0 o   83.221   26.461  3445.97  2011.20   0.0000   0.0000  3445.97  2011.20  ?   ?    83.221   26.461 0.000000 26.46065 
1 1 1   50   32    1 o  159.546   27.330 12620.64  3413.17   0.0000   0.0000 12620.64  3413.17  ?   ?   159.546   27.330 0.000000 27.33035 
1 1 1   50   32    2 o   93.342   30.817  4630.73  2713.18   0.0000   0.0000  4630.73  2713.18  ?   ?    93.342   30.817 0.000000 30.81750 
1 1 1   50   32    3 o   21.877   9.1493   42.921  272.063   0.0000   0.0000   42.921  272.063  ?   ?    21.877   9.1493 0.000000 9.149271 
1 1 1   50   32    4 o   67.452   10.895  1955.38  576.352   0.0000   0.0000  1955.38  576.352  ?   ?    67.452   10.895 0.000000 10.89472 
1 1 1   50   32    5 o   29.188   11.467  225.429  397.493   0.0000   0.0000  225.429  397.493  ?   ?    29.188   11.467 0.000000 11.46717 
1 1 1   50   32    6 o   95.193   13.798  3978.61  1035.41   0.0000   0.0000  3978.61  1035.41  ?   ?    95.193   13.798 0.000000 13.79800 
1 1 1   50   32    7 o  121.111   15.151  6529.29  1457.28   0.0000   0.0000  6529.29  1457.28  ?   ?   121.111   15.151 0.000000 15.15056 
1 1 1   50   32    8 o  168.639   15.175 12697.32  2055.63   0.0000   0.0000 12697.32  2055.63  ?   ?   168.639   15.175 0.000000 15.17488 
1 1 1   50   32    9 o   89.328   18.985  3863.04  1334.61   0.0000   0.0000  3863.04  1334.61  ?   ?    89.328   18.985 0.000000 18.98546 
1 1 1   50   32   10 o   99.756   22.119  5168.13  1744.65   0.0000   0.0000  5168.13  1744.65  ?   ?    99.756   22.119 0.000000 22.11926 
1 1 1   50   34    0 o   72.809   34.620  253.198  5583.29   0.0000   0.0000  253.198  5583.29  ?   ?    72.809   34.620 0.000000 34.62040 
1 1 1   50   34    1 o   44.271   20.217 -482.7667  1618.19   0.0000   0.0000 -482.7667  1618.19  ?   ?    44.271   20.217 0.000000 20.21700 
1 1 1   50   34    2 o  151.866   31.441 13117.67  3749.35   0.0000   0.0000 13117.67  3749.35  ?   ?   151.866   31.441 0.000000 31.44119 
1 1 1   50   34    3 o   67.114   10.181  1942.31  537.367   0.0000   0.0000  1942.31  537.367  ?   ?    67.114   10.181 0.000000 10.18054 
1 1 1   50   34    4 o   71.670   11.579  2249.04  650.857   0.0000   0.0000  2249.04  650.857  ?   ?    71.670   11.579 0.000000 11.57908 
1 1 1   50   34    5 o  117.905   12.354  6080.24  1165.15   0.0000   0.0000  6080.24  1165.15  ?   ?   117.905   12.354 0.000000 12.35409 
1 1 1   50   34    6 o  105.617   14.000  5014.30  1171.00   0.0000   0.0000  5014.30  1171.00  ?   ?   105.617   14.000 0.000000 13.99987 
1 1 1   50   34    7 o   60.334   16.252  1741.03  813.996   0.0000   0.0000  1741.03  813.996  ?   ?    60.334   16.252 0.000000 16.25168 
1 1 1   50   36    0 o  126.885   36.390 12081.25  3943.76   0.0000   0.0000 12081.25  3943.76  ?   ?   126.885   36.390 0.000000 36.39017 
1 1 1   50   36    1 o  119.818   36.322 10973.14  3840.21   0.0000   0.0000 10973.14  3840.21  ?   ?   119.818   36.322 0.000000 36.32193 
1 1 1   50   36    2 o   53.780   25.601 -691.9551  3069.91   0.0000   0.0000 -691.9551  3069.91  ?   ?    53.780   25.601 0.000000 25.60060 
1 1 1   50   36    3 o   94.487   10.998  3922.20  827.984   0.0000   0.0000  3922.20  827.984  ?   ?    94.487   10.998 0.000000 10.99802 
1 1 1   50   36    4 o   42.094   12.105  806.673  435.881   0.0000   0.0000  806.673  435.881  ?   ?    42.094   12.105 0.000000 12.10541 
1 1 1   51    1    0 o  761.368   37.857 241681.91 23403.42 231070.00 33080.35 252315.59 33114.55  731.302   56.139  766.388   53.551 -35.08582 77.58414 
1 1 1   51    1    1 o  437.808   22.633 78764.97  8018.35 77197.40 11322.24 80342.23 11357.16  430.643   32.622  439.560   32.042 -8.917114 45.72603 
1 1 1   51    1    2 o  269.650   15.374 29745.57  3352.19 31098.79  4713.95 28361.17  4767.94  274.798   21.293  262.104   22.625 12.69440 31.06925 
1 1 1   51    1    3 o  640.781   22.648 168329.09 11783.42 160565.09 16642.95 176133.00 16685.67  621.594   33.094  652.520   31.493 -30.92548 45.68394 
1 1 1   51    1    4 o  141.045   8.5329  8117.54  972.623  7961.77  1370.91  8275.40  1380.13  139.302   12.245  142.059   12.080 -2.756485 17.20029 
1 1 1   51    1    5 o  492.687   20.419 99390.41  8168.37 103143.80 13913.13 97416.18 10090.43  496.827   34.707  485.929   25.665 10.89807 43.16568 
1 1 1   51    1    6 o  216.978   11.507 19221.76  2020.06 17842.02  2528.02 21658.87  3359.83  208.594   15.026  229.451   18.183 -20.85608 23.58837 
1 1 1   51    1    7 o  289.057   11.292 34021.77  2650.27 34350.36  3746.15 33692.52  3749.96  289.587   15.994  286.764   16.171 2.823334 22.74441 
1 1 1   51    1    8 o  282.233   11.157 32439.72  2556.86 33045.13  3612.50 31831.99  3619.39  283.993   15.728  278.659   16.065 5.333801 22.48166 
1 1 1   51    1    9 o  298.915   11.310 36401.64  2744.96 35647.59  3884.31 37153.86  3879.61  294.810   16.290  301.059   15.927 -6.248840 22.78259 
1 1 1   51    1   10 o  165.654   10.606 11224.73  1419.01 11932.62  1668.38  9373.33  2698.12  170.630   12.121  149.074   23.033 21.55516 26.02757 
1 1 1   51    1   11 o  347.570   15.565 49489.39  4392.71 46429.71  7908.92 50854.30  5282.40  331.557   29.692  351.187   18.591 -19.62927 35.03228 
1 1 1   51    1   12 o  166.243   9.4020 11304.51  1263.92 11404.74  1800.62 11207.16  1774.56  166.337   13.447  164.895   13.369 1.442261 18.96191 
1 1 1   51    1   13 o  285.152   11.898 33314.96  2754.72 33504.82  3907.30 33127.33  3884.32  284.134   17.014  282.524   17.012 1.609711 24.06023 
1 1 1   51    1   14 o   87.306   10.980  3172.33  761.154  3253.67  1073.24  3090.01  1079.66   87.402   15.700   85.003   16.235 2.399170 22.58460 
1 1 1   51    1   15 o  226.441   11.066 21062.65  2034.59 21674.01  2892.29 20463.77  2862.62  227.852   15.730  221.247   16.044 6.604385 22.46836 
1 1 1   51    1   16 o  158.722   10.041 10385.58  1287.33  9701.29  1829.67 11056.41  1811.59  151.949   15.027  162.702   13.844 -10.75290 20.43213 
1 1 1   51    1   17 o  214.800   11.262 19105.90  1957.42 20784.63  2787.46 17472.74  2749.36  222.130   15.553  202.943   16.837 19.18689 22.92097 
1 1 1   51    1   18 o   24.066   11.460 -770.0875  616.114 -950.2326  774.687 -460.0244  1016.34   27.021   12.862   36.084   16.297 -9.062403 20.76101 
1 1 1   51    1   19 o  101.335   12.641  4367.06  1017.47  4532.84  1370.48  4163.46  1518.78  101.398   17.264   95.791   20.165 5.606323 26.54564 
1 1 1   51    1   20 o  156.127   11.881 10328.10  1494.86 12128.18  2142.27  8619.86  2086.90  166.497   16.045  138.091   19.126 28.40585 24.96468 
1 1 1   51    1   21 o   33.684   15.082 -233.6244  849.440  749.244  1159.07 -1373.9680  1248.48   48.524   19.414   33.848   16.171 14.67677 25.26671 
1 1 1   51    3    0 o   27.270   10.757  165.557  351.131  415.891  431.879 -322.6042  603.091   34.518   12.266   27.888   12.578 6.630430 17.56890 
1 1 1   51    3    1 o  787.613   39.691 259968.91 25301.32 280760.41 35708.77 239007.20 35854.63  807.361   54.796  740.316   60.168 67.04498 81.38020 
1 1 1   51    3    2 f  293.883   16.520 35355.90  3926.01 39637.51  5447.78 30729.49  5662.90  310.323   21.758  272.193   25.936 38.13046 33.85429 
1 1 1   51    3    3 o  800.683   31.814 265385.81 20683.06 251556.00 35453.43 272521.00 25465.66  761.101   57.801  807.572   38.836 -46.47101 69.63605 
1 1 1   51    3    4 o  463.654   17.222 87793.93  6483.66 87231.43  9125.45 88367.36  9213.74  460.149   24.512  463.123   24.590 -2.973389 34.72078 
1 1 1   51    3    5 o  567.359   20.536 131834.00  9460.22 132477.59 13342.55 131183.20 13415.30  565.533   29.156  562.638   29.468 2.895386 41.45355 
1 1 1   51    3    6 o  323.585   12.987 42667.62  3412.22 43184.04  4806.62 42142.96  4844.82  324.438   18.321  320.419   18.703 4.018188 26.18135 
1 1 1   51    3    7 o  742.177   26.388 227300.50 15901.93 228833.00 22490.48 225768.50 22486.96  737.649   37.676  732.507   37.938 5.142883 53.46714 
1 1 1   51    3    8 o  795.540   28.171 262139.50 18197.24 263295.31 25738.52 260984.20 25731.04  788.218   40.351  784.598   40.528 3.619629 57.19059 
1 1 1   51    3    9 o  353.714   15.102 51116.81  4337.44 50601.22  5246.65 52229.98  7709.20  350.903   18.479  354.129   27.015 -3.225830 32.73042 
1 1 1   51    3   10 o  247.030   10.461 24860.47  2098.29 24544.90  2972.54 25173.88  2962.34  244.555   15.043  247.722   14.795 -3.167160 21.09927 
1 1 1   51    3   11 o  196.160   9.8826 15720.01  1568.99 18980.47  2248.71 12626.91  2190.24  215.147   12.932  174.864   15.589 40.28224 20.25535 
1 1 1   51    3   12 o  273.354   11.555 30543.23  2564.70 30200.97  3664.68 30871.77  3590.53  270.306   16.780  273.454   16.244 -3.147797 23.35453 
1 1 1   51    3   13 o   94.331   9.7893  3674.07  738.879  3929.80  1056.82  3429.53  1033.44   96.828   13.835   90.165   14.616 6.662926 20.12578 
1 1 1   51    3   14 o  225.094   10.941 20772.72  1999.71 21662.59  2865.91 19928.41  2791.57  228.234   15.558  218.778   15.821 9.455734 22.18913 
1 1 1   51    3   15 o  137.203   9.7854  7752.23  1082.98  7206.17  1539.23  8287.56  1524.02  131.074   14.717  141.017   13.474 -9.942825 19.95345 
1 1 1   51    3   16 o   46.434   15.232  867.622  663.184  965.239  912.312  758.239  965.733   50.643   17.845   48.335   18.154 2.307575 25.45627 
1 1 1   51    3   17 o   45.461   15.663  799.359  700.786  795.076  962.737  804.185  1022.04   48.621   18.152   49.498   18.659 -0.8766556 26.03189 
1 1 1   51    3   18 o   47.188   15.811  898.674  713.510  537.458  898.756  1514.39  1173.41   44.052   17.263   60.238   20.276 -16.18625 26.62903 
1 1 1   51    3   19 o   99.593   13.015  4234.13  1027.31  4760.71  1401.20  3622.07  1510.65  103.938   17.205   88.691   21.255 15.24702 27.34540 
1 1 1   51    3   20 o   70.094   16.691  2225.50  936.331  3146.96  1242.31  1013.61  1424.69   82.617   18.926   54.931   21.669 27.68593 28.76994 
1 1 1   51    3   21 o   31.437   14.025 -190.3250  727.533 -493.7534  865.635  539.639  1342.63   31.813   14.624   48.443   20.297 -16.62947 25.01664 
1 1 1   51    5    0 o  138.842   8.0221  7862.25  900.523  7175.71  1017.05 10353.86  1937.53  132.488   9.5177  158.614   15.231 -26.12544 17.96062 
1 1 1   51    5    1 o  569.366   29.109 134130.30 13412.35 141461.50 18774.92 126489.80 19167.02  579.945   40.117  546.556   43.551 33.38861 59.21237 
1 1 1   51    5    2 o  466.231   23.870 89467.35  9006.18 91873.96 12536.01 86900.25 12947.25  469.569   33.091  455.830   35.255 13.73959 48.35241 
1 1 1   51    5    3 o  334.390   15.022 45601.55  4078.73 43892.86  4994.93 49020.86  7065.87  327.104   18.887  344.347   25.452 -17.24316 31.69392 
1 1 1   51    5    4 o  330.292   15.783 44518.24  4232.69 51357.31  5920.21 37366.82  6053.89  353.512   20.715  300.435   25.045 53.07663 32.50201 
1 1 1   51    5    5 o   81.388   7.9826  2718.75  520.735  2224.50  697.846  3339.73  782.217   72.926   12.217   89.924   10.938 -16.99810 16.39851 
1 1 1   51    5    6 o  521.570   19.524 111404.10  8268.17 113433.90 11675.92 109362.30 11710.08  523.370   27.573  513.639   28.186 9.730286 39.42941 
1 1 1   51    5    7 o  543.837   18.722 121101.70  8267.04 122427.60 11695.39 119777.50 11687.34  544.506   26.453  538.485   26.730 6.020996 37.60672 
1 1 1   51    5    8 o  884.592   43.497 333553.81 31242.04 333553.81 31242.04   0.0000   0.0000  884.592   43.497  ?   ?  0.000000 43.49688 
1 1 1   51    5    9 o  498.598   18.154 101889.80  7349.61 106090.90 10415.83 97723.79 10372.15  505.877   25.439  485.064   26.435 20.81216 36.68684 
1 1 1   51    5   10 o  205.388   9.5543 17178.26  1593.35 16930.86  2268.58 17419.12  2238.40  203.104   13.839  206.086   13.451 -2.981705 19.29833 
1 1 1   51    5   11 o  283.053   12.128 32724.99  2787.34 32061.29  3971.67 33369.16  3912.77  278.694   17.642  284.504   17.016 -5.809937 24.51098 
1 1 1   51    5   12 o  321.069   15.103 42375.23  3937.28 40668.75  7317.58 43070.57  4671.08  307.951   29.631  322.413   17.914 -14.46152 34.62476 
1 1 1   51    5   13 o  275.252   11.512 31046.88  2572.80 29896.86  3683.10 32142.84  3595.48  268.135   17.005  278.444   15.970 -10.30936 23.32813 
1 1 1   51    5   14 o  134.340   9.4172  7417.85  1020.73  7507.43  1449.95  7329.84  1437.19  134.303   13.478  132.675   13.530 1.627396 19.09788 
1 1 1   51    5   15 f  179.291   10.109 13226.67  1465.71 13582.24  2084.18 12878.74  2061.65  180.496   14.339  175.651   14.587 4.845490 20.45480 
1 1 1   51    5   16 o  210.464   11.039 18294.63  1879.93 18510.10  2692.31 18089.60  2626.17  209.798   15.923  207.488   15.704 2.310699 22.36476 
1 1 1   51    5   17 o  151.424   10.254  9491.17  1253.27  9920.27  1737.44  9025.72  1809.54  153.545   14.093  145.858   15.517 7.687119 20.96214 
1 1 1   51    5   18 o   78.764   13.837  2671.92  852.613  2993.11  1107.44  2204.48  1336.02   82.408   17.110   70.331   21.447 12.07710 27.43613 
1 1 1   51    5   19 o   74.946   14.225  2451.60  833.972  2984.94  1133.78  1822.82  1231.05   81.612   17.625   64.144   20.734 17.46820 27.21320 
1 1 1   51    5   20 o   32.892   14.416 -93.5043  736.429  191.243  909.058 -637.1458  1256.08   39.377   16.610   38.611   17.699 0.7661476 24.27288 
1 1 1   51    5   21 o   83.162   14.352  3095.08  934.078  1941.49  1212.79  4777.23  1464.50   63.685   20.580  100.951   18.550 -37.26680 27.70597 
1 1 1   51    7    3 f  402.197   30.492 67324.52  9883.56   0.0000   0.0000 67324.52  9883.56  ?   ?   402.197   30.492 0.000000 30.49150 
1 1 1   51    7    4 o  563.003   26.227 130620.00 11989.31 168712.30 20306.81 110236.30 14854.71  632.704   39.729  512.761   35.905 119.9429 53.55025 
1 1 1   51    7    5 o  465.327   17.716 88536.98  6693.53 94830.67  9415.53 82106.27  9517.46  479.503   24.262  445.426   26.434 34.07666 35.88015 
1 1 1   51    7    6 o  265.480   12.064 28713.99  2600.52 27991.05  3139.38 30294.65  4642.09  261.466   14.849  270.884   21.277 -9.417480 25.94555 
1 1 1   51    7    7 o  356.857   14.218 51970.06  4119.80 54844.76  5822.88 49088.66  5829.67  365.207   19.709  345.177   20.899 20.03079 28.72638 
1 1 1   51    7    8 o  380.614   15.036 59183.77  4646.77 65172.50  6588.54 53256.55  6554.62  397.841   20.465  358.962   22.604 38.87903 30.49199 
1 1 1   51    7    9 o  374.842   16.488 57521.60  5018.27 59383.08  6201.46 53990.35  8541.41  379.554   20.195  358.741   29.587 20.81271 35.82230 
1 1 1   51    7   10 o  362.862   13.527 53810.53  3985.47 52604.73  5667.74 54989.94  5605.38  356.957   19.630  365.182   18.969 -8.225281 27.29821 
1 1 1   51    7   11 o  250.168   10.730 25543.21  2179.66 25222.59  3106.32 25854.18  3059.23  247.405   15.542  250.596   15.105 -3.191498 21.67332 
1 1 1   51    7   12 o  162.531   11.564 10864.82  1516.20  9801.34  3239.25 11163.18  1715.76  149.865   27.638  164.492   12.951 -14.62723 30.52203 
1 1 1   51    7   13 o   85.587   9.4871  3030.23  648.203  2378.97  912.691  3693.05  920.757   74.526   15.584   94.053   12.356 -19.52705 19.88795 
1 1 1   51    7   14 o  293.785   11.740 35478.69  2800.45 34846.98  4011.67 36079.12  3911.10  288.653   17.194  294.094   16.444 -5.440338 23.79203 
1 1 1   51    7   15 o  342.269   13.639 48510.04  3790.49 48870.43  5439.88 48169.93  5284.61  339.357   19.828  337.233   19.381 2.123474 27.72701 
1 1 1   51    7   16 o  233.913   10.907 22548.42  2071.54 22557.46  2965.16 22539.80  2895.29  231.560   15.866  231.662   15.481 -0.1019135 22.16768 
1 1 1   51    7   17 o  157.854   10.508 10328.97  1339.10 10740.94  1858.73  9884.41  1930.88  159.528   14.508  152.433   15.831 7.095383 21.47378 
1 1 1   51    7   18 o   53.061   14.381  1226.75  635.095  1892.93  757.256 -353.0012  1166.12   65.798   14.559   39.714   17.734 26.08333 22.94492 
1 1 1   51    7   19 o   31.141   13.569 -72.7383  644.122 -88.0464  766.575 -35.9714  1188.02   33.815   14.767   42.327   18.436 -8.511719 23.62116 
1 1 1   51    7   20 o   25.686   12.146 -709.3585  669.150 -2302.5149  864.519  1671.41  1056.83   22.440   11.233   60.517   19.175 -38.07678 22.22286 
1 1 1   51    7   21 o  116.650   12.276  5916.84  1145.32  5408.71  1446.62  6770.33  1874.85  108.333   17.006  118.727   20.170 -10.39378 26.38217 
1 1 1   51    9    0 o  320.153   26.203 42516.45  6751.92   0.0000   0.0000 42516.45  6751.92  ?   ?   320.153   26.203 0.000000 26.20315 
1 1 1   51    9    1 o  367.229   28.896 56086.09  8546.44   0.0000   0.0000 56086.09  8546.44  ?   ?   367.229   28.896 0.000000 28.89568 
1 1 1   51    9    3 o  356.383   29.861 52953.28  8561.12 52953.28  8561.12   0.0000   0.0000  356.383   29.861  ?   ?  0.000000 29.86051 
1 1 1   51    9    4 o  511.677   39.434 110746.80 16257.16 110746.80 16257.16   0.0000   0.0000  511.677   39.434  ?   ?  0.000000 39.43401 
1 1 1   51    9    5 o  443.937   23.041 81261.78  8277.01 82587.13 11279.67 79715.55 12183.43  444.635   31.446  435.452   34.747 9.183136 46.86394 
1 1 1   51    9    6 o  288.115   14.635 33973.69  3412.46 43451.27  5522.83 28120.88  4340.06  324.629   21.066  260.958   20.651 63.67163 29.50034 
1 1 1   51    9    7 o  489.841   20.247 98517.56  8053.00 99016.02 13583.95 98247.45  9999.67  484.709   34.745  486.990   25.377 -2.280457 43.02573 
1 1 1   51    9    8 o  192.588   9.5686 15099.27  1496.29 16319.32  2104.82 13852.80  2127.50  199.561   13.062  183.598   14.386 15.96283 19.43135 
1 1 1   51    9    9 o  129.485   9.1554  6860.18  956.376  6615.19  1157.78  7386.44  1696.89  126.869   11.359  133.377   15.987 -6.507675 19.61199 
1 1 1   51    9   10 o  276.917   10.843 31282.96  2438.02 29348.55  3468.18 33172.72  3427.93  266.981   16.074  284.169   14.909 -17.18817 21.92318 
1 1 1   51    9   11 o  285.136   11.389 33236.65  2636.70 32150.77  3756.20 34291.48  3702.11  278.871   16.665  288.271   15.878 -9.400177 23.01772 
1 1 1   51    9   12 o  193.607   10.101 15364.83  1582.46 16727.06  2248.72 14028.43  2227.30  201.207   13.849  183.882   15.049 17.32462 20.45170 
1 1 1   51    9   13 o  190.916   9.8040 14954.02  1514.67 14614.15  2147.10 15290.73  2137.07  187.655   14.196  192.087   13.794 -4.431656 19.79410 
1 1 1   51    9   14 o  208.628   10.746 17916.21  1814.11 19271.18  2578.33 16587.79  2552.94  215.080   14.855  199.087   15.926 15.99286 21.77861 
1 1 1   51    9   15 o   73.422   11.038  2266.35  637.681  2029.54  842.756  2583.53  975.335   68.462   15.519   77.290   16.066 -8.828148 22.33692 
1 1 1   51    9   16 o  112.687   10.032  5265.32  908.309  5389.51  1224.73  5113.51  1354.07  113.052   13.616  109.418   15.690 3.633842 20.77435 
1 1 1   51    9   17 o  109.010   10.154  4945.65  888.395  4797.68  1206.14  5121.12  1313.47  106.069   14.375  109.344   15.206 -3.275276 20.92484 
1 1 1   51    9   18 o   90.320   11.404  3447.59  817.709  4471.35  1081.58  2081.72  1249.30  102.368   13.329   68.121   20.732 34.24663 24.64660 
1 1 1   51    9   19 o  125.572   10.795  6637.40  1089.99  6095.07  1478.01  7284.02  1613.88  117.939   15.834  129.140   15.715 -11.20039 22.30882 
1 1 1   51    9   20 o   96.133   12.612  4008.15  960.671  5063.11  1249.22  2481.32  1502.85  107.032   14.768   71.381   22.892 35.65038 27.24225 
1 1 1   51   11    0 o  322.300   26.667 43178.51  6916.00   0.0000   0.0000 43178.51  6916.00  ?   ?   322.300   26.667 0.000000 26.66712 
1 1 1   51   11    1 f  453.906   34.645 86529.45 12672.17   0.0000   0.0000 86529.45 12672.17  ?   ?   453.906   34.645 0.000000 34.64488 
1 1 1   51   11    2 o  226.282   21.264 21195.88  3861.07   0.0000   0.0000 21195.88  3861.07  ?   ?   226.282   21.264 0.000000 21.26398 
1 1 1   51   11    3 o  423.318   22.822 73900.02  7815.48 76674.59 11341.79 71391.30 10784.75  427.689   32.913  412.795   32.438 14.89325 46.21091 
1 1 1   51   11    4 o  933.776   47.342 375159.59 35776.85 390486.19 50901.46 360195.41 50296.18  925.294   68.232  885.224   70.561 40.06976 98.15533 
1 1 1   51   11    5 o  250.292   25.546 26131.32  5118.85 26131.32  5118.85   0.0000   0.0000  250.292   25.546  ?   ?  0.000000 25.54562 
1 1 1   51   11    6 o  403.681   21.372 67192.64  6980.21 82136.62 10195.98 54010.32  9576.17  443.898   28.438  357.753   33.351 86.14520 43.82902 
1 1 1   51   11    7 f  273.396   15.467 30660.39  3419.42 32417.52  4536.59 28348.89  5203.25  280.181   20.074  260.701   24.883 19.48053 31.97080 
1 1 1   51   11    8 o  122.814   9.0662  6173.75  897.705  8452.62  1252.17  3763.82  1287.67  143.607   10.818   94.344   17.452 49.26317 20.53319 
1 1 1   51   11    9 o  363.521   16.432 54220.95  4850.21 60704.34  8011.81 50470.32  6093.72  380.793   26.069  348.749   21.626 32.04376 33.87152 
1 1 1   51   11   10 o  193.994   9.6426 15349.05  1518.86 15907.89  2135.74 14777.20  2160.47  196.620   13.459  189.333   14.156 7.286789 19.53268 
1 1 1   51   11   11 o  347.220   12.827 49455.70  3616.45 47203.15  5160.10 51630.23  5069.97  336.678   18.953  352.690   17.761 -16.01144 25.97433 
1 1 1   51   11   12 o  205.503   10.219 17284.81  1705.13 17870.48  2413.35 16701.02  2409.49  207.658   14.402  200.571   14.902 7.087280 20.72384 
1 1 1   51   11   13 o   65.688   15.890  1862.05  838.253  2387.43  2515.65  1796.43  889.063   79.956   29.440   64.505   16.806 15.45068 33.89926 
1 1 1   51   11   14 o   86.788   9.3625  3121.43  649.316  2945.98  815.978  3424.32  1072.15   83.640   12.390   89.563   15.292 -5.922668 19.68132 
1 1 1   51   11   15 o  159.714   9.3788 10504.93  1210.93  9823.42  1656.72 11286.65  1774.34  153.278   13.447  164.384   13.410 -11.10646 18.99136 
1 1 1   51   11   16 o  176.949   10.283 12952.51  1471.13 12073.42  2025.61 13933.76  2140.08  169.095   14.906  181.870   14.616 -12.77515 20.87568 
1 1 1   51   11   17 o  195.931   11.192 15982.67  1773.12 17586.36  2494.57 14345.11  2520.78  203.463   15.210  182.518   17.213 20.94484 22.96992 
1 1 1   51   11   18 o  124.661   10.367  6501.04  1039.87  7003.33  1352.86  5775.80  1625.61  128.290   13.174  114.062   18.161 14.22884 22.43669 
1 1 1   51   11   19 o   59.184   14.107  1558.47  668.348  1217.28  775.258  2545.96  1318.91   52.570   16.390   73.438   21.039 -20.86773 26.66998 
1 1 1   51   11   20 o   69.703   12.622  2143.11  688.043  2430.01  783.819  1179.68  1436.38   73.910   13.561   55.477   21.798 18.43386 25.67142 
1 1 1   51   13    0 o  255.215   23.724 27066.71  4860.02   0.0000   0.0000 27066.71  4860.02  ?   ?   255.215   23.724 0.000000 23.72431 
1 1 1   51   13    1 o  738.533   56.029 241198.41 33348.29   0.0000   0.0000 241198.41 33348.29  ?   ?   738.533   56.029 0.000000 56.02911 
1 1 1   51   13    2 o  458.312   35.079 88588.87 12955.05   0.0000   0.0000 88588.87 12955.05  ?   ?   458.312   35.079 0.000000 35.07918 
1 1 1   51   13    3 o  492.684   26.246 100695.90 10461.68 101928.90 15139.36 99569.05 14473.20  489.853   38.370  484.842   37.045 5.011108 53.33423 
1 1 1   51   13    4 o  220.084   15.583 19898.14  2766.77 22319.95  4229.30 18086.28  3658.15  231.697   22.775  208.537   21.933 23.16003 31.61899 
1 1 1   51   13    5 o   61.747   16.925  1610.14  873.852  314.047  1652.69  2113.11  1029.54   54.614   22.670   70.467   17.945 -15.85306 28.91312 
1 1 1   51   13    6 o   89.456   11.755  3318.44  833.172  5843.72  2007.61  2793.01  915.756  117.274   21.888   81.498   14.363 35.77641 26.18032 
1 1 1   51   13    7 o  179.221   14.370 13215.92  2073.54 13602.38  3496.77 13006.32  2575.16  179.605   24.626  177.082   18.167 2.522644 30.60229 
1 1 1   51   13    8 o  293.410   17.376 35490.41  4121.14 42572.54  6465.77 30644.74  5348.30  318.906   25.175  270.458   24.624 48.44803 35.21521 
1 1 1   51   13    9 o  117.503   17.969  5817.66  1659.88   0.0000   0.0000  5817.66  1659.88  ?   ?   117.503   17.969 0.000000 17.96862 
1 1 1   51   13   10 o  205.448   10.333 17290.80  1718.16 17106.83  2580.65 17437.27  2302.72  203.146   15.769  205.584   13.876 -2.438019 21.00466 
1 1 1   51   13   11 o   50.424   8.8809  1068.61  350.328  1162.29  393.592  711.387  768.580   52.521   9.5825   45.203   16.329 7.317608 18.93281 
1 1 1   51   13   12 o   17.432   7.5515 -29.0466  197.138   63.393  205.017 -1162.9120  718.028   19.930   8.0971   24.416   11.816 -4.486614 14.32407 
1 1 1   51   13   13 o   57.520   16.083  1419.00  780.460 -1896.9110  2370.12  1822.28  826.558   50.673   23.606   64.907   15.826 -14.23341 28.42053 
1 1 1   51   13   14 o   30.180   10.747  322.904  331.716  200.952  365.590  891.017  789.071   28.238   11.025   48.119   16.618 -19.88077 19.94283 
1 1 1   51   13   15 o   58.001   10.351  1426.06  469.588  1476.60  553.337  1295.95  887.758   58.700   12.014   55.521   17.572 3.178997 21.28677 
1 1 1   51   13   16 o  124.112   9.2892  6376.56  929.329  6845.14  1203.75  5685.20  1462.16  127.907   11.721  114.932   16.111 12.97465 19.92316 
1 1 1   51   13   17 o   56.928   11.852  1399.81  530.011  1509.99  604.113  1031.48  1104.48   58.918   12.978   52.842   19.499 6.076256 23.42323 
1 1 1   51   13   18 o   40.472   13.091  680.275  490.657  589.578  540.747  1102.91  1167.30   39.133   13.743   53.829   20.009 -14.69538 24.27437 
1 1 1   51   13   19 o   65.447   11.901  1867.86  609.114  2203.08  700.676  830.808  1232.41   70.935   12.628   50.541   20.085 20.39398 23.72465 
1 1 1   51   15    0 o  234.112   23.589 22847.69  4423.02   0.0000   0.0000 22847.69  4423.02  ?   ?   234.112   23.589 0.000000 23.58927 
1 1 1   51   15    1 o  219.903   22.700 20142.34  3994.86   0.0000   0.0000 20142.34  3994.86  ?   ?   219.903   22.700 0.000000 22.69995 
1 1 1   51   15    2 o  351.711   28.873 51825.58  8172.79   0.0000   0.0000 51825.58  8172.79  ?   ?   351.711   28.873 0.000000 28.87316 
1 1 1   51   15    3 o  394.528   22.700 64414.23  7240.99 61768.43 10640.45 66696.37  9882.16  381.517   34.729  398.358   30.791 -16.84067 46.41309 
1 1 1   51   15    4 o  125.217   15.241  6505.88  1517.62  5844.42  2524.91  6880.01  1898.91  116.341   27.213  128.134   18.812 -11.79292 33.08224 
1 1 1   51   15    5 o  545.599   28.708 124564.20 12673.33 130123.50 18358.73 119503.40 17516.50  548.946   41.495  526.076   41.340 22.87024 58.57332 
1 1 1   51   15    6 o  314.929   14.298 40572.09  3656.17 49707.08  7066.24 37232.41  4272.54  344.918   25.410  300.613   17.581 44.30460 30.89896 
1 1 1   51   15    7 o  235.089   12.985 22665.05  2469.02 20234.72  5044.98 23430.48  2831.26  217.596   29.299  238.709   14.679 -21.11276 32.77016 
1 1 1   51   15    8 o  464.098   19.833 89195.00  7473.65 90914.45 13781.48 88478.66  8895.22  455.908   37.563  459.621   23.918 -3.713196 44.53155 
1 1 1   51   15    9 o  402.983   22.305 68168.35  7270.13 73207.11 11084.54 64364.41  9631.03  409.299   33.651  385.711   31.014 23.58731 45.76338 
1 1 1   51   15   10 o   81.777   17.240  2875.39  1108.67  1772.67  2428.83  3165.63  1246.06   74.636   28.612   85.645   18.462 -11.00862 34.05177 
1 1 1   51   15   11 o   96.091   18.794  3987.60  1413.80   0.0000   0.0000  3987.60  1413.80  ?   ?    96.091   18.794 0.000000 18.79361 
1 1 1   51   15   12 o   35.957   15.078  101.634  741.983   0.0000   0.0000  101.634  741.983  ?   ?    35.957   15.078 0.000000 15.07844 
1 1 1   51   15   13 o   86.355   15.078  3190.53  1018.73   0.0000   0.0000  3190.53  1018.73  ?   ?    86.355   15.078 0.000000 15.07758 
1 1 1   51   15   14 o   54.595   9.9160  1262.67  423.374  1200.74  485.516  1459.21  864.928   52.909   11.619   58.237   17.141 -5.328121 20.70807 
1 1 1   51   15   15 o   36.286   10.717  552.965  337.583  696.577  371.375 -130.1898  809.985   40.385   11.019   34.655   15.155 5.729263 18.73770 
1 1 1   51   15   16 o   89.862   9.0523  3360.78  651.508  3255.17  760.406  3652.34  1263.43   87.949   10.880   90.855   17.763 -2.905479 20.83039 
1 1 1   51   15   17 o   89.202   9.3197  3328.63  665.055  3122.84  767.529  3948.66  1332.25   85.779   11.294   93.822   18.144 -8.043198 21.37243 
1 1 1   51   15   18 o   58.171   10.788  1461.60  490.800  1109.46  530.418  3558.16  1294.25   50.128   12.942   87.875   18.712 -37.74767 22.75225 
1 1 1   51   15   19 o   77.190   10.229  2552.61  625.306  2327.72  712.185  3309.36  1306.42   72.743   12.509   83.021   19.680 -10.27827 23.31882 
1 1 1   51   17    0 o  178.417   22.611 13353.94  3202.17   0.0000   0.0000 13353.94  3202.17  ?   ?   178.417   22.611 0.000000 22.61137 
1 1 1   51   17    1 o  188.663   22.870 14918.41  3431.87   0.0000   0.0000 14918.41  3431.87  ?   ?   188.663   22.870 0.000000 22.87038 
1 1 1   51   17    2 o  249.110   23.941 25928.11  4782.92   0.0000   0.0000 25928.11  4782.92  ?   ?   249.110   23.941 0.000000 23.94119 
1 1 1   51   17    3 o  583.389   45.068 149140.91 21183.00   0.0000   0.0000 149140.91 21183.00  ?   ?   583.389   45.068 0.000000 45.06837 
1 1 1   51   17    4 o  360.740   21.931 54003.20  6393.31 49688.24  9494.83 57582.34  8647.46  340.402   34.843  369.582   29.051 -29.18018 45.36517 
1 1 1   51   17    5 o  514.496   28.114 111348.10 11700.36 112026.50 17073.04 110747.30 16066.42  505.469   41.978  504.664   39.524 0.8050537 57.65708 
1 1 1   51   17    6 o  262.873   12.826 28275.29  2737.61 33666.36  5701.23 26659.75  3120.96  282.725   25.096  254.418   15.177 28.30710 29.32822 
1 1 1   51   17    7 o  311.092   14.100 39732.36  3561.50 45121.00  7163.47 37963.03  4104.76  325.553   27.353  302.955   16.752 22.59845 32.07520 
1 1 1   51   17    8 o  246.999   13.038 25119.27  2605.67 25415.05  5553.09 25035.75  2950.67  242.112   28.813  246.082   14.837 -3.970490 32.40892 
1 1 1   51   17    9 o   98.872   12.458  4078.42  977.937  6462.77  3103.62  3815.59  1030.43  119.381   31.544   95.308   13.710 24.07298 34.39463 
1 1 1   51   17   10 o  194.929   12.530 15707.36  1972.66 19497.75  5143.36 15053.64  2136.01  208.360   31.374  190.415   13.912 17.94492 34.32038 
1 1 1   51   17   11 f  237.090   17.254 23631.64  3298.83 27382.81  6059.91 22051.89  3932.58  246.493   30.961  226.794   21.617 19.69853 37.76073 
1 1 1   51   17   12 o  108.179   17.917  5044.22  1518.72  5454.74  3845.74  4968.37  1653.08  108.270   36.705  106.703   19.809 1.566940 41.70950 
1 1 1   51   17   13 o  125.798   19.749  6893.34  1950.84   0.0000   0.0000  6893.34  1950.84  ?   ?   125.798   19.749 0.000000 19.74940 
1 1 1   51   17   14 f  141.654   14.718  8499.08  1668.15   0.0000   0.0000  8499.08  1668.15  ?   ?   141.654   14.718 0.000000 14.71821 
1 1 1   51   17   15 o   34.503   15.407 -297.5727  880.203   0.0000   0.0000 -297.5727  880.203  ?   ?    34.503   15.407 0.000000 15.40711 
1 1 1   51   17   16 o   52.075   18.613  1063.94  995.937 -1735.0280  4872.18  1185.99  1017.42   71.714   33.553   54.003   18.858 17.71099 38.48882 
1 1 1   51   17   17 o  147.639   15.424  9505.24  1821.65 20802.15  6433.53  8520.58  1899.38  180.948   44.174  138.534   17.260 42.41400 47.42591 
1 1 1   51   17   18 o   48.013   19.781  594.063  1245.10   0.0000   0.0000  594.063  1245.10  ?   ?    48.013   19.781 0.000000 19.78077 
1 1 1   51   19    0 f  339.905   30.075 49061.28  8214.79   0.0000   0.0000 49061.28  8214.79  ?   ?   339.905   30.075 0.000000 30.07503 
1 1 1   51   19    1 o  286.279   26.947 34590.99  6190.03   0.0000   0.0000 34590.99  6190.03  ?   ?   286.279   26.947 0.000000 26.94674 
1 1 1   51   19    2 o  451.415   36.504 88107.16 13265.59   0.0000   0.0000 88107.16 13265.59  ?   ?   451.415   36.504 0.000000 36.50442 
1 1 1   51   19    3 o  191.266   22.232 15386.27  3388.33   0.0000   0.0000 15386.27  3388.33  ?   ?   191.266   22.232 0.000000 22.23246 
1 1 1   51   19    4 o  278.849   19.071 32299.20  4292.07 34502.71  6687.34 30755.66  5596.98  283.953   29.432  269.521   25.894 14.43231 39.20150 
1 1 1   51   19    5 o  173.865   11.073 12408.47  1555.05 15965.64  3807.12 11696.16  1703.65  193.488   24.804  168.515   12.541 24.97333 27.79390 
1 1 1   51   19    6 o  203.523   10.271 16976.34  1691.88 30627.67  4367.97 14566.69  1835.14  270.402   20.037  188.135   12.077 82.26709 23.39523 
1 1 1   51   19    7 o  133.067   11.382  7310.85  1217.96 14334.46  4010.32  6597.19  1278.34  180.740   28.251  126.100   12.656 54.64001 30.95660 
1 1 1   51   19    8 o   93.285   12.191  3636.40  901.342  8041.18  3940.25  3393.18  925.893  131.265   35.924   89.865   13.072 41.39944 38.22817 
1 1 1   51   19    9 o  136.324   18.569  7922.78  2001.91 10376.64  4581.53  7343.71  2225.61  147.213   38.052  129.998   21.861 17.21570 43.88429 
1 1 1   51   19   10 o  116.697   12.824  5690.48  1195.10  4909.29  4514.58  5749.35  1239.31  106.550   39.401  117.192   13.257 -10.64272 41.57171 
1 1 1   51   19   11 o   67.491   16.735  1984.81  912.532  3441.41  4345.79  1917.62  933.340   95.949   37.846   66.324   17.190 29.62546 41.56709 
1 1 1   51   19   12 f   22.120   10.755 -1056.8760  613.183 -1636.3929  4390.09 -1045.3459  619.253   72.034   33.046   22.361   10.857 49.67224 34.78358 
1 1 1   51   19   13 o   68.780   20.328  2088.31  1214.20 -9120.7314  5256.93  2719.99  1247.95   60.144   29.693   78.059   19.691 -17.91539 35.62882 
1 1 1   51   19   14 o   97.506   21.447  4316.66  1651.83  4343.05  5041.13  4313.48  1748.35   98.842   40.154   96.973   22.619 1.869270 46.08633 
1 1 1   51   19   15 o   87.300   24.461  3610.55  1803.26   0.0000   0.0000  3610.55  1803.26  ?   ?    87.300   24.461 0.000000 24.46051 
1 1 1   51   19   16 o  128.703   15.571  7237.18  1594.13   0.0000   0.0000  7237.18  1594.13  ?   ?   128.703   15.571 0.000000 15.57127 
1 1 1   51   19   17 o   40.304   17.515   36.315  1067.31   0.0000   0.0000   36.315  1067.31  ?   ?    40.304   17.515 0.000000 17.51519 
1 1 1   51   19   18 o   43.648   18.249  424.757  1081.83   0.0000   0.0000  424.757  1081.83  ?   ?    43.648   18.249 0.000000 18.24855 
1 1 1   51   21    0 o  195.336   26.435 16378.52  4085.12   0.0000   0.0000 16378.52  4085.12  ?   ?   195.336   26.435 0.000000 26.43549 
1 1 1   51   21    1 o  400.885   21.918 67312.11  7107.27   0.0000   0.0000 67312.11  7107.27  ?   ?   400.885   21.918 0.000000 21.91762 
1 1 1   51   21    2 o  463.718   23.092 90236.34  8694.69   0.0000   0.0000 90236.34  8694.69  ?   ?   463.718   23.092 0.000000 23.09204 
1 1 1   51   21    3 o  342.829   18.164 48906.29  5038.18   0.0000   0.0000 48906.29  5038.18  ?   ?   342.829   18.164 0.000000 18.16391 
1 1 1   51   21    4 o  218.264   11.172 19567.77  1973.31 28301.81  5694.73 18375.95  2103.64  255.575   27.895  211.228   12.319 44.34663 30.49403 
1 1 1   51   21    5 o  164.184   10.812 11093.45  1433.26 13564.32  4657.67 10835.00  1506.35  172.314   34.493  162.104   11.519 10.20955 36.36592 
1 1 1   51   21    6 o  181.492   11.382 13577.80  1668.86 19648.44  5103.90 12851.06  1765.93  209.623   30.914  176.295   12.416 33.32739 33.31451 
1 1 1   51   21    7 o  139.070   12.029  8018.71  1344.90 14031.83  4507.79  7431.17  1409.08  174.826   32.964  133.562   13.164 41.26443 35.49578 
1 1 1   51   21    8 o  220.592   13.048 20177.91  2326.70 29341.33  5984.51 18546.16  2525.38  256.238   29.290  210.799   14.849 45.43900 32.83911 
1 1 1   51   21    9 o   50.395   20.213  584.725  1259.90 -6478.1611  3540.05  1609.08  1348.17   50.551   24.842   63.329   21.730 -12.77723 33.00509 
1 1 1   51   21   10 o   60.047   16.846  1561.47  854.721  5547.67  4764.93  1428.94  868.812  109.418   40.476   57.769   17.224 51.64892 43.98782 
1 1 1   51   21   11 o  129.485   14.151  7077.71  1463.58 16768.83  5736.39  6402.93  1513.68  181.209   40.053  122.599   15.556 58.60959 42.96751 
1 1 1   51   21   12 o  113.840   15.683  5559.96  1411.19 -460.9125  5988.10  5914.01  1452.09   85.323   38.936  117.491   15.607 -32.16765 41.94743 
1 1 1   51   21   13 o  138.193   14.342  8125.93  1585.81 15216.73  6799.19  7718.01  1630.79  156.649   48.489  134.259   15.229 22.39038 50.82420 
1 1 1   51   21   14 o   61.147   19.201  1649.53  1061.86 -10529.0498  6881.13  1946.61  1074.73   66.627   33.084   65.767   19.036 0.8596573 38.16964 
1 1 1   51   21   15 o   27.208   13.472 -2407.6130  1111.07 -2554.4131  5761.40 -2401.9431  1132.32   72.645   34.716   27.638   13.670 45.00756 37.31014 
1 1 1   51   21   16 o   91.394   25.080  4238.64  1917.44   0.0000   0.0000  4238.64  1917.44  ?   ?    91.394   25.080 0.000000 25.07976 
1 1 1   51   21   17 o  120.463   17.163  6683.56  1631.26   0.0000   0.0000  6683.56  1631.26  ?   ?   120.463   17.163 0.000000 17.16272 
1 1 1   51   23    0 o  164.607   15.219 11310.29  2011.07   0.0000   0.0000 11310.29  2011.07  ?   ?   164.607   15.219 0.000000 15.21889 
1 1 1   51   23    1 o  194.500   11.233 15578.39  1766.42   0.0000   0.0000 15578.39  1766.42  ?   ?   194.500   11.233 0.000000 11.23284 
1 1 1   51   23    2 f   35.175   9.3223  524.192  270.539   0.0000   0.0000  524.192  270.539  ?   ?    35.175   9.3223 0.000000 9.322293 
1 1 1   51   23    3 o   91.391   10.200  3465.37  743.978   0.0000   0.0000  3465.37  743.978  ?   ?    91.391   10.200 0.000000 10.19974 
1 1 1   51   23    4 o   63.002   11.880  1685.72  585.469   0.0000   0.0000  1685.72  585.469  ?   ?    63.002   11.880 0.000000 11.88048 
1 1 1   51   23    5 o  195.465   11.757 15789.82  1857.23 17975.63  5888.80 15548.39  1957.11  193.444   38.841  193.734   12.508 -0.2904663 40.80525 
1 1 1   51   23    6 o  107.413   12.236  4820.34  1048.13  1453.31  3986.89  5070.32  1086.35   83.350   34.953  110.166   12.358 -26.81615 37.07282 
1 1 1   51   23    7 o  166.717   11.958 11532.89  1608.00 23707.17  5623.43 10448.82  1678.06  227.322   31.296  158.278   13.177 69.04413 33.95709 
1 1 1   51   23    8 o  104.892   22.560  4917.00  1864.39  2038.39  4975.16  5387.28  2010.92   91.310   38.706  109.610   23.312 -18.30039 45.18433 
1 1 1   51   23    9 f  124.401   14.134  6535.06  1402.35  3138.68  6028.66  6729.35  1441.91  100.106   42.530  126.192   14.326 -26.08657 44.87801 
1 1 1   51   23   10 o  106.169   14.804  4812.74  1241.43  2784.83  6144.38  4899.04  1267.57   97.841   42.271  107.067   14.992 -9.226517 44.85106 
1 1 1   51   23   11 o   45.302   18.212  482.011  1025.35  4109.63  6043.23  374.484  1040.44  101.114   42.749   44.328   18.151 56.78605 46.44329 
1 1 1   51   23   12 o   34.632   15.843 -582.9260  999.225  3026.15  5213.47 -720.5588  1018.10   91.917   39.312   34.032   15.721 57.88458 42.33896 
1 1 1   51   23   13 o   50.910   19.865  823.467  1186.34  8397.81  5968.54  511.913  1210.49  115.262   44.674   47.850   19.584 67.41174 48.77821 
1 1 1   51   23   14 o   81.686   20.859  3139.26  1388.36  4512.82  8194.41  3098.67  1408.73   96.465   44.576   81.019   21.177 15.44670 49.35091 
1 1 1   51   23   15 f   66.423   22.029  2090.16  1385.83   0.0000   0.0000  2090.16  1385.83  ?   ?    66.423   22.029 0.000000 22.02943 
1 1 1   51   23   16 o   41.153   17.822  136.622  1097.34   0.0000   0.0000  136.622  1097.34  ?   ?    41.153   17.822 0.000000 17.82173 
1 1 1   51   25    0 o  217.582   17.287 20005.42  3028.91   0.0000   0.0000 20005.42  3028.91  ?   ?   217.582   17.287 0.000000 17.28700 
1 1 1   51   25    1 o  109.403   10.425  4963.97  914.895   0.0000   0.0000  4963.97  914.895  ?   ?   109.403   10.425 0.000000 10.42530 
1 1 1   51   25    2 o  306.557   14.887 39156.74  3705.65   0.0000   0.0000 39156.74  3705.65  ?   ?   306.557   14.887 0.000000 14.88727 
1 1 1   51   25    3 o  224.509   12.697 20926.21  2305.03   0.0000   0.0000 20926.21  2305.03  ?   ?   224.509   12.697 0.000000 12.69663 
1 1 1   51   25    4 o  212.702   13.443 18853.97  2309.77   0.0000   0.0000 18853.97  2309.77  ?   ?   212.702   13.443 0.000000 13.44312 
1 1 1   51   25    5 o  131.641   11.533  7210.04  1220.27  8874.80  5683.00  7129.58  1249.42  130.195   44.617  130.799   11.894 -0.6046753 46.17550 
1 1 1   51   25    6 o  151.669   11.839  9574.70  1446.47 12564.83  6006.12  9390.60  1490.33  152.008   45.278  150.034   12.343 1.974243 46.92999 
1 1 1   51   25    7 o  140.072   24.048  8824.21  2636.50  4482.57  6382.77  9717.38  2895.02  106.292   44.372  146.434   25.261 -40.14209 51.05907 
1 1 1   51   25    8 o  110.510   13.964  5184.29  1225.04  8473.39  6038.26  5043.10  1251.06  124.025   45.619  108.781   14.527 15.24361 47.87660 
1 1 1   51   25    9 o  112.053   15.462  5394.98  1369.32 -2614.1860  6412.90  5777.59  1401.65   80.973   38.078  116.107   15.235 -35.13377 41.01299 
1 1 1   51   25   10 o   68.873   17.950  2118.90  1014.01  5425.22  5970.69  2020.71  1028.95  104.882   43.276   67.257   18.337 37.62560 47.00065 
1 1 1   51   25   11 o   99.191   17.059  4342.63  1324.41  9673.14  7984.67  4191.82  1343.02  119.578   49.749   97.138   17.679 22.44068 52.79715 
1 1 1   51   25   12 o   74.689   19.780  2573.96  1218.56 -8349.9365  8346.28  2811.89  1231.76   75.256   37.203   78.159   19.479 -2.902466 41.99369 
1 1 1   51   25   13 o   51.584   19.921  941.119  1183.47   0.0000   0.0000  941.119  1183.47  ?   ?    51.584   19.921 0.000000 19.92097 
1 1 1   51   25   14 o  128.429   18.915  7642.54  1913.40   0.0000   0.0000  7642.54  1913.40  ?   ?   128.429   18.915 0.000000 18.91504 
1 1 1   51   25   15 o   74.524   23.306  2883.61  1566.24   0.0000   0.0000  2883.61  1566.24  ?   ?    74.524   23.306 0.000000 23.30625 
1 1 1   51   27    0 o  243.603   19.549 25611.10  3834.10   0.0000   0.0000 25611.10  3834.10  ?   ?   243.603   19.549 0.000000 19.54862 
1 1 1   51   27    1 o  248.805   19.912 26762.75  3988.86   0.0000   0.0000 26762.75  3988.86  ?   ?   248.805   19.912 0.000000 19.91156 
1 1 1   51   27    2 o  210.802   12.944 18561.18  2204.87   0.0000   0.0000 18561.18  2204.87  ?   ?   210.802   12.944 0.000000 12.94424 
1 1 1   51   27    3 o  261.166   14.005 28599.91  2958.97   0.0000   0.0000 28599.91  2958.97  ?   ?   261.166   14.005 0.000000 14.00460 
1 1 1   51   27    4 o  138.904   11.874  8061.92  1326.40   0.0000   0.0000  8061.92  1326.40  ?   ?   138.904   11.874 0.000000 11.87444 
1 1 1   51   27    5 o   60.153   14.459  1577.64  697.477   0.0000   0.0000  1577.64  697.477  ?   ?    60.153   14.459 0.000000 14.45898 
1 1 1   51   27    6 o  219.209   22.010 21301.03  3864.73 25225.76  9119.58 20441.89  4266.82  197.753   54.866  211.942   25.294 -14.18907 60.41602 
1 1 1   51   27    7 o  184.151   13.150 14272.75  1953.24 32400.06  8014.69 13128.12  2013.97  245.106   41.769  176.055   14.210 69.05127 44.11969 
1 1 1   51   27    8 o  103.883   15.892  4690.41  1297.84  7828.47  7376.47  4590.16  1318.41  115.143   47.853  102.541   16.387 12.60186 50.58115 
1 1 1   51   27    9 o   89.231   17.101  3534.85  1193.95  1860.87  7541.10  3577.90  1209.20   93.745   43.118   89.735   17.222 4.009933 46.43043 
1 1 1   51   27   10 o  145.449   15.631  9188.91  1817.09 11819.52  8887.83  9074.16  1856.30  121.112   51.551  144.234   16.126 -23.12189 54.01478 
1 1 1   51   27   11 o  110.908   17.278  5506.46  1505.26   0.0000   0.0000  5506.46  1505.26  ?   ?   110.908   17.278 0.000000 17.27796 
1 1 1   51   27   12 o   57.981   20.506  1473.49  1205.74   0.0000   0.0000  1473.49  1205.74  ?   ?    57.981   20.506 0.000000 20.50629 
1 1 1   51   27   13 o   68.609   22.667  2331.68  1467.69   0.0000   0.0000  2331.68  1467.69  ?   ?    68.609   22.667 0.000000 22.66672 
1 1 1   51   27   14 o   33.416   15.892 -1118.6390  1177.56   0.0000   0.0000 -1118.6390  1177.56  ?   ?    33.416   15.892 0.000000 15.89213 
1 1 1   51   29    0 o  179.875   20.103 14284.16  2885.85   0.0000   0.0000 14284.16  2885.85  ?   ?   179.875   20.103 0.000000 20.10276 
1 1 1   51   29    1 o  125.528   22.942  7195.35  2252.19   0.0000   0.0000  7195.35  2252.19  ?   ?   125.528   22.942 0.000000 22.94200 
1 1 1   51   29    2 o  245.745   21.976 26941.66  4338.85   0.0000   0.0000 26941.66  4338.85  ?   ?   245.745   21.976 0.000000 21.97648 
1 1 1   51   29    3 o  235.629   22.562 24938.71  4263.88   0.0000   0.0000 24938.71  4263.88  ?   ?   235.629   22.562 0.000000 22.56216 
1 1 1   51   29    4 f  179.955   25.382 15022.57  3605.80   0.0000   0.0000 15022.57  3605.80  ?   ?   179.955   25.382 0.000000 25.38238 
1 1 1   51   29    5 o  284.465   16.853 34914.66  3875.34   0.0000   0.0000 34914.66  3875.34  ?   ?   284.465   16.853 0.000000 16.85324 
1 1 1   51   29    6 o  101.960   13.040  4442.10  1054.85  9979.01  7017.59  4314.10  1066.97  121.677   48.061  100.309   13.438 21.36806 49.90469 
1 1 1   51   29    7 o  125.199   13.891  6725.76  1388.35  6226.49  7581.88  6743.08  1412.22  104.651   46.051  125.245   14.134 -20.59469 48.17085 
1 1 1   51   29    8 o   95.107   16.666  4027.64  1240.09  4400.15  8816.79  4020.12  1252.55   98.378   45.729   94.920   16.870 3.458084 48.74186 
1 1 1   51   29    9 o   98.726   17.734  4414.01  1369.37   0.0000   0.0000  4414.01  1369.37  ?   ?    98.726   17.734 0.000000 17.73427 
1 1 1   51   29   10 f   95.836   18.819  4264.69  1412.18   0.0000   0.0000  4264.69  1412.18  ?   ?    95.836   18.819 0.000000 18.81936 
1 1 1   51   29   11 o  113.261   19.187  6031.55  1701.52   0.0000   0.0000  6031.55  1701.52  ?   ?   113.261   19.187 0.000000 19.18695 
1 1 1   51   29   12 o   34.595   16.201 -817.9347  1140.55   0.0000   0.0000 -817.9347  1140.55  ?   ?    34.595   16.201 0.000000 16.20097 
1 1 1   51   31    0 o  131.148   23.037  8049.47  2363.65   0.0000   0.0000  8049.47  2363.65  ?   ?   131.148   23.037 0.000000 23.03692 
1 1 1   51   31    1 o   78.678   26.006  2955.55  1931.85   0.0000   0.0000  2955.55  1931.85  ?   ?    78.678   26.006 0.000000 26.00564 
1 1 1   51   31    2 o   80.732   28.176  3137.26  2271.22   0.0000   0.0000  3137.26  2271.22  ?   ?    80.732   28.176 0.000000 28.17588 
1 1 1   51   31    3 o   16.072   7.4161 -176.1885  225.613   0.0000   0.0000 -176.1885  225.613  ?   ?    16.072   7.4161 0.000000 7.416063 
1 1 1   51   31    4 o   24.702   10.165   88.999  328.300   0.0000   0.0000   88.999  328.300  ?   ?    24.702   10.165 0.000000 10.16477 
1 1 1   51   31    5 o   38.789   13.430  592.791  515.553   0.0000   0.0000  592.791  515.553  ?   ?    38.789   13.430 0.000000 13.43049 
1 1 1   51   31    6 o   53.724   15.645  1289.02  723.978   0.0000   0.0000  1289.02  723.978  ?   ?    53.724   15.645 0.000000 15.64524 
1 1 1   51   31    7 o   69.101   16.880  2192.02  938.994   0.0000   0.0000  2192.02  938.994  ?   ?    69.101   16.880 0.000000 16.88022 
1 1 1   51   31    8 o  159.235   15.061 11201.50  1924.11   0.0000   0.0000 11201.50  1924.11  ?   ?   159.235   15.061 0.000000 15.06056 
1 1 1   51   31    9 o   93.265   18.688  4118.57  1365.88   0.0000   0.0000  4118.57  1365.88  ?   ?    93.265   18.688 0.000000 18.68780 
1 1 1   51   31   10 o  142.225   17.765  9468.95  2006.85   0.0000   0.0000  9468.95  2006.85  ?   ?   142.225   17.765 0.000000 17.76549 
1 1 1   51   33    0 o   63.472   25.182  1624.16  1934.40   0.0000   0.0000  1624.16  1934.40  ?   ?    63.472   25.182 0.000000 25.18188 
1 1 1   51   33    1 o   59.887   24.971  1110.72  2018.17   0.0000   0.0000  1110.72  2018.17  ?   ?    59.887   24.971 0.000000 24.97136 
1 1 1   51   33    2 o  140.812   31.785 11032.27  3548.02   0.0000   0.0000 11032.27  3548.02  ?   ?   140.812   31.785 0.000000 31.78545 
1 1 1   51   33    3 o   76.437   10.623  2507.09  641.462   0.0000   0.0000  2507.09  641.462  ?   ?    76.437   10.623 0.000000 10.62254 
1 1 1   51   33    4 o   76.176   11.251  2510.11  674.937   0.0000   0.0000  2510.11  674.937  ?   ?    76.176   11.251 0.000000 11.25072 
1 1 1   51   33    5 o   35.511   12.441  497.007  443.042   0.0000   0.0000  497.007  443.042  ?   ?    35.511   12.441 0.000000 12.44145 
1 1 1   51   33    6 o  108.227   14.130  5215.22  1212.06   0.0000   0.0000  5215.22  1212.06  ?   ?   108.227   14.130 0.000000 14.13001 
1 1 1   51   33    7 f  165.320   15.751 12422.09  2088.80   0.0000   0.0000 12422.09  2088.80  ?   ?   165.320   15.751 0.000000 15.75139 
1 1 1   51   33    8 o   49.563   18.090  1077.70  946.888   0.0000   0.0000  1077.70  946.888  ?   ?    49.563   18.090 0.000000 18.09020 
1 1 1   51   35    0 o   71.152   34.831  384.039  6753.65   0.0000   0.0000  384.039  6753.65  ?   ?    71.152   34.831 0.000000 34.83055 
1 1 1   51   35    1 o   80.246   38.099  5043.58  6712.86   0.0000   0.0000  5043.58  6712.86  ?   ?    80.246   38.099 0.000000 38.09950 
1 1 1   51   35    2 o   93.053   42.346 10469.00  7021.72   0.0000   0.0000 10469.00  7021.72  ?   ?    93.053   42.346 0.000000 42.34624 
1 1 1   51   35    3 o   67.682   11.068  2016.26  587.237   0.0000   0.0000  2016.26  587.237  ?   ?    67.682   11.068 0.000000 11.06835 
1 1 1   51   35    4 o   46.697   12.323  990.381  474.049   0.0000   0.0000  990.381  474.049  ?   ?    46.697   12.323 0.000000 12.32300 
1 1 1   51   35    5 o   48.169   13.472  1071.52  547.497   0.0000   0.0000  1071.52  547.497  ?   ?    48.169   13.472 0.000000 13.47159 
1 1 1   52    0    0 o  318.098   25.886 42175.86  6584.10   0.0000   0.0000 42175.86  6584.10  318.098   25.886  318.098   25.886 0.000000 0.000000 
1 1 1   52    0    1 o   67.623   20.470  2307.89  980.642   0.0000   0.0000  2307.89  980.642   67.623   20.470   67.623   20.470 0.000000 0.000000 
1 1 1   52    0    2 o   19.570   12.664 -20.9180  473.872   0.0000   0.0000 -20.9180  473.872   19.570   12.664   19.570   12.664 0.000000 0.000000 
1 1 1   52    0    3 o  697.624   34.987 201911.80 19704.66 203299.41 28218.90 200591.41 27527.16  691.874   50.863  687.752   49.897 0.000000 0.000000 
1 1 1   52    0    4 o  323.283   18.357 43016.75  4783.04 41631.52  7106.85 44163.70  6466.82  314.952   28.317  325.811   24.774 0.000000 0.000000 
1 1 1   52    0    5 o   70.484   13.723  2235.76  699.994  593.416  1303.90  2900.73  829.691   38.329   23.081   81.163   13.783 0.000000 0.000000 
1 1 1   52    0    6 o   57.560   18.325  1702.99  754.201   0.0000   0.0000  1702.99  754.201   57.560   18.325   57.560   18.325 0.000000 0.000000 
1 1 1   52    0    7 o   34.941   16.309  727.195  515.688   71.678  1169.47  885.424  574.565   31.714   20.280   38.827   17.243 0.000000 0.000000 
1 1 1   52    0    8 o  259.592   15.111 27746.01  3160.43 30076.90  4869.39 26049.41  4154.34  268.140   22.742  249.808   20.814 0.000000 0.000000 
1 1 1   52    0    9 o  485.475   25.356 97688.96  9932.69 96151.71 14448.59 99066.42 13677.03  475.565   37.975  484.359   35.204 0.000000 0.000000 
1 1 1   52    0   10 o  650.529   49.835 184655.70 25968.06 184655.70 25968.06   0.0000   0.0000  650.529   49.835  650.529   49.835 0.000000 0.000000 
1 1 1   52    0   11 o   23.938   15.167   83.771  636.437 -1440.4611  1434.06  457.613  710.209   26.033   18.216   30.295   17.596 0.000000 0.000000 
1 1 1   52    0   12 o   14.264   10.322 -1238.1071  632.065 -378.7590  1358.11 -1475.7030  714.117   30.561   20.339   14.874   10.791 0.000000 0.000000 
1 1 1   52    0   13 o   88.770   16.933  3566.90  1091.59  2471.59  2111.70  3966.30  1275.18   62.630   32.341   92.803   19.170 0.000000 0.000000 
1 1 1   52    0   14 o  448.259   25.549 85906.85  9229.87 79198.38 13598.00 91638.17 12568.70  413.600   41.445  453.869   34.566 0.000000 0.000000 
1 1 1   52    0   15 o  307.143   19.173 39880.27  4738.97 36714.06  7304.13 42181.99  6227.68  283.914   32.827  311.793   24.968 0.000000 0.000000 
1 1 1   52    0   16 o  152.615   14.992  9928.87  1816.69 10004.04  3262.84  9895.10  2187.04  141.903   32.514  150.416   18.683 0.000000 0.000000 
1 1 1   52    0   17 o   49.190   24.079  1541.90  1139.37  1888.83  2756.14  1470.39  1251.29   56.422   33.768   47.861   24.845 0.000000 0.000000 
1 1 1   52    0   18 f   15.308   11.218 -2291.5840  900.473 -6494.5762  2619.72 -1728.4730  958.899   25.748   18.895   17.830   12.877 0.000000 0.000000 
1 1 1   52    0   19 o   38.484   22.671  852.696  1206.97 -3771.8660  3363.18  1536.36  1293.11   35.813   25.583   47.729   25.124 0.000000 0.000000 
1 1 1   52    0   20 o   26.709   18.038 -340.9866  1141.63 -9489.4287  3678.26  634.239  1200.94   28.685   21.167   35.393   21.714 0.000000 0.000000 
1 1 1   52    0   21 o   19.959   14.157 -1084.4810  964.627  3314.70  4212.42 -1327.9370  990.959   56.924   37.172   19.327   13.820 0.000000 0.000000 
1 1 1   52    2    0 o  260.290   15.549 27732.73  3271.26 28657.80  4584.95 26773.55  4668.72  263.626   21.609  254.518   22.834 9.108200 31.43821 
1 1 1   52    2    1 o  278.060   15.866 31644.07  3567.22 29223.88  5000.67 34151.66  5090.15  265.892   23.401  287.881   21.941 -21.98880 32.07827 
1 1 1   52    2    2 o   85.125   10.436  2992.12  706.199  2626.89  943.424  3457.58  1065.03   78.933   15.272   90.911   14.948 -11.97758 21.37000 
1 1 1   52    2    3 o  260.474   11.322 27614.63  2394.60 27431.98  3346.34 27806.31  3428.09  258.796   16.003  260.522   16.288 -1.726227 22.83394 
1 1 1   52    2    4 o  160.950   9.7902 10576.29  1273.36 12487.36  1999.48  9272.38  1651.60  174.445   14.240  150.224   13.691 24.22173 19.75404 
1 1 1   52    2    5 o  111.810   8.1723  5109.70  736.794  4944.56  1015.96  5292.92  1070.11  109.595   11.593  113.406   11.794 -3.810379 16.53755 
1 1 1   52    2    6 o  354.875   13.668 51343.48  3938.29 51838.23  5550.34 50841.81  5589.02  355.328   19.310  351.818   19.643 3.509857 27.54536 
1 1 1   52    2    7 o  214.466   11.467 18785.67  1989.68 17773.84  2485.66 20590.29  3319.56  208.169   14.802  223.545   18.453 -15.37593 23.65655 
1 1 1   52    2    8 o  512.106   17.505 107320.00  7278.79 108788.70 10296.51 105852.90 10291.03  513.589   24.691  506.505   25.023 7.084595 35.15368 
1 1 1   52    2    9 o  697.482   27.737 201836.70 15708.37 198250.00 19161.53 209186.80 27430.11  687.341   34.334  693.037   49.062 -5.696045 59.88254 
1 1 1   52    2   10 o  172.104   8.9650 12089.38  1248.46 11859.15  1753.53 12326.04  1777.90  169.982   12.799  173.325   12.722 -3.343628 18.04596 
1 1 1   52    2   11 f  199.904   11.699 16368.80  1890.67 18276.40  3642.98 15665.57  2211.88  209.105   21.776  195.161   14.052 13.94464 25.91617 
1 1 1   52    2   12 o  227.326   10.663 21108.71  1968.22 21382.34  2800.49 20841.62  2766.79  227.581   15.243  224.669   15.257 2.912033 21.56707 
1 1 1   52    2   13 o  321.891   13.102 42567.76  3424.45 43757.31  4860.94 41395.71  4825.05  323.950   18.557  314.878   18.961 9.072571 26.53070 
1 1 1   52    2   14 o   99.818   10.248  4122.61  818.804  3863.56  1159.52  4380.27  1156.41   95.443   15.493  102.043   14.354 -6.599854 21.12055 
1 1 1   52    2   15 o   38.412   14.413  461.098  608.479 -176.9809  851.375  1127.35  869.966   35.351   15.497   52.917   17.450 -17.56542 23.33736 
1 1 1   52    2   16 o  156.267   10.260 10078.99  1294.59 11177.16  1850.84  9027.06  1811.46  163.451   14.083  146.303   15.484 17.14891 20.93083 
1 1 1   52    2   17 o  196.579   11.272 16020.81  1791.73 15761.30  2560.47 16269.82  2508.13  192.710   16.523  196.132   15.886 -3.421524 22.92122 
1 1 1   52    2   18 o  169.387   10.858 11931.88  1485.57 12656.02  2081.58 11180.21  2120.79  172.655   14.997  161.515   16.399 11.13969 22.22246 
1 1 1   52    2   19 o  155.005   11.816 10104.37  1475.90 11013.21  2073.19  9170.48  2101.57  159.494   16.235  144.177   18.369 15.31729 24.51544 
1 1 1   52    2   20 o  111.382   12.428  5314.14  1104.78  5803.87  1458.16  4654.17  1692.74  114.522   16.128   99.181   21.629 15.34084 26.97987 
1 1 1   52    2   21 o  195.503   12.489 16487.46  1972.23 14865.88  2756.51 18188.21  2823.00  178.547   19.322  199.786   17.581 -21.23834 26.12367 
1 1 1   52    4    0 o  388.940   20.604 62105.54  6483.82 59177.41  9087.11 65142.33  9254.18  377.307   29.906  396.250   28.963 -18.94278 41.63259 
1 1 1   52    4    1 f  542.561   27.054 121251.70 11918.54 117062.30 16720.68 125578.90 16993.35  527.593   39.314  546.915   38.513 -19.32190 55.03452 
1 1 1   52    4    2 o  378.100   19.469 58630.64  5956.82 55169.77  8270.94 62360.48  8586.34  364.720   28.147  388.088   27.425 -23.36728 39.29843 
1 1 1   52    4    3 o  1029.32   42.595 446040.31 35600.20 448084.00 43623.74 441965.31 61597.64  1020.83   52.810  982.504   77.851 38.32758 94.07255 
1 1 1   52    4    4 o  375.672   14.879 57562.66  4538.62 59305.77  6356.32 55749.55  6482.69  379.952   20.681  368.111   21.786 11.84109 30.03899 
1 1 1   52    4    5 o  468.593   16.712 89691.66  6358.54 90107.61  8948.53 89267.45  9036.79  467.680   23.642  465.388   23.996 2.292603 33.68586 
1 1 1   52    4    6 o  206.688   10.029 17384.07  1683.03 19174.92  2357.69 15523.30  2403.28  216.457   13.481  194.415   15.349 22.04222 20.42902 
1 1 1   52    4    7 o  617.281   21.560 156475.30 10806.09 163549.20 15287.08 149410.50 15277.17  627.748   29.992  598.544   31.546 29.20380 43.52763 
1 1 1   52    4    8 o  458.092   23.843 86712.95  8838.03 86712.95  8838.03   0.0000   0.0000  458.092   23.843  ?   ?  0.000000 23.84337 
1 1 1   52    4    9 o  117.392   8.6543  5637.45  819.096  7053.30  1156.84  4214.04  1159.92  131.123   10.966  100.533   14.639 30.58930 18.29133 
1 1 1   52    4   10 o  112.130   8.4713  5145.94  765.580  4510.60  1062.36  5832.36  1104.24  104.344   12.808  119.032   11.571 -14.68811 17.26105 
1 1 1   52    4   11 o  114.412   8.9857  5365.36  828.045  5965.27  1182.09  4787.39  1160.28  120.214   12.283  107.328   13.621 12.88637 18.34104 
1 1 1   52    4   12 o  123.630   9.2958  6270.35  926.314  6036.66  1330.65  6490.08  1290.30  120.519   13.850  125.206   12.875 -4.687508 18.90983 
1 1 1   52    4   13 o   97.901   9.8612  3957.35  773.217  4350.60  1101.85  3575.81  1085.32  101.966   13.651   91.961   15.056 10.00508 20.32337 
1 1 1   52    4   14 o  163.637   9.4559 10991.17  1251.03 11113.51  1807.27 10878.61  1733.49  163.568   13.735  161.934   13.302 1.634796 19.12008 
1 1 1   52    4   15 o  368.818   14.632 56441.91  4381.93 56752.97  6242.86 56139.83  6152.10  365.043   21.153  363.222   20.949 1.821777 29.77063 
1 1 1   52    4   16 o  101.685   11.237  4311.52  912.311  2576.47  1272.71  6145.35  1308.44   76.413   20.204  120.985   13.552 -44.57170 24.32846 
1 1 1   52    4   17 o  103.407   11.531  4476.55  951.727  4541.92  1313.57  4404.33  1380.84  102.687   16.299  100.655   17.533 2.032166 23.93832 
1 1 1   52    4   18 o  122.115   11.167  6236.29  1094.97  5764.86  1454.26  6853.40  1663.85  115.655   15.907  125.914   16.685 -10.25911 23.05276 
1 1 1   52    4   19 o   55.887   16.190  1376.62  777.101  1064.59  1075.32  1717.72  1124.28   52.760   19.275   62.281   19.782 -9.520798 27.61962 
1 1 1   52    4   20 o   47.282   17.050  879.151  837.451 -126.7350  1063.74  2518.88  1358.15   39.032   17.209   72.831   21.491 -33.79911 27.53257 
1 1 1   52    4   21 o   81.413   15.159  3002.35  965.201  3488.03  1198.47  2105.87  1628.25   86.402   17.679   65.998   23.777 20.40405 29.62949 
1 1 1   52    6    0 o  605.615   44.670 155837.09 21810.71   0.0000   0.0000 155837.09 21810.71  ?   ?   605.615   44.670 0.000000 44.66955 
1 1 1   52    6    1 o  215.043   20.346 19099.85  3510.35   0.0000   0.0000 19099.85  3510.35  ?   ?   215.043   20.346 0.000000 20.34609 
1 1 1   52    6    2 f  292.006   24.009 35261.49  5642.19   0.0000   0.0000 35261.49  5642.19  ?   ?   292.006   24.009 0.000000 24.00940 
1 1 1   52    6    3 o  423.256   22.271 73694.59  7627.08 78727.73 10576.37 68240.97 11009.29  435.201   30.115  403.760   33.895 31.44083 45.34094 
1 1 1   52    6    4 o  655.728   22.083 176434.20 11757.77 169240.41 16545.27 183773.70 16711.99  638.550   31.911  665.852   30.911 -27.30225 44.42746 
1 1 1   52    6    5 f  484.022   17.254 95762.24  6781.02 94983.91  9537.83 96557.79  9642.64  479.781   24.566  483.728   24.632 -3.947205 34.78778 
1 1 1   52    6    6 o  494.903   19.293 100334.30  7752.84 107871.40 10945.48 92745.52 10982.94  510.486   26.498  472.421   28.769 38.06445 39.11249 
1 1 1   52    6    7 o  443.932   19.783 80819.90  7130.89 83636.29  8685.54 74995.64 12490.22  449.975   23.857  420.996   36.911 28.97867 43.95033 
1 1 1   52    6    8 o  151.103   8.7641  9320.41  1070.66  9933.26  1493.59  8672.65  1535.55  155.661   11.907  145.219   13.166 10.44254 17.75187 
1 1 1   52    6    9 o  221.499   9.2720 19971.60  1667.58 20212.04  2354.99 19729.80  2361.65  222.152   13.114  219.447   13.317 2.704468 18.69000 
1 1 1   52    6   10 o  175.633   9.3934 12599.56  1334.72 13471.33  1879.83 11713.26  1895.43  181.160   12.863  168.688   13.964 12.47263 18.98562 
1 1 1   52    6   11 o  100.176   8.6703  4118.83  698.284  2788.18  955.682  5642.88  1022.77   81.180   15.053  117.073   10.884 -35.89274 18.57550 
1 1 1   52    6   12 o  129.943   11.462  6962.85  1196.99 11185.00  2679.32  5910.04  1337.93  162.632   20.764  119.126   14.106 43.50612 25.10211 
1 1 1   52    6   13 o  120.082   9.0308  5923.42  874.079  4966.53  1234.70  6884.78  1237.58  108.862   14.316  128.985   11.953 -20.12319 18.64935 
1 1 1   52    6   14 o  155.993   9.2032  9989.22  1160.53 10393.65  1650.51  9593.75  1632.10  158.293   12.955  151.933   13.366 6.359375 18.61405 
1 1 1   52    6   15 o  200.804   10.012 16546.84  1632.41 15913.82  2317.95 17169.71  2299.31  195.202   14.733  203.055   14.032 -7.853439 20.34592 
1 1 1   52    6   16 o  170.808   10.246 12043.89  1414.48 12135.43  1985.19 11949.49  2015.93  170.061   14.516  168.608   14.878 1.453201 20.78581 
1 1 1   52    6   17 o  149.960   10.258  9317.25  1241.52  8671.94  1729.72 10002.95  1783.05  142.965   15.131  153.932   14.434 -10.96611 20.91144 
1 1 1   52    6   18 o  146.552   10.699  8950.10  1264.35  9101.04  1723.50  8774.22  1860.45  146.144   14.725  142.701   16.352 3.442764 22.00447 
1 1 1   52    6   19 o   55.286   15.810  1350.66  745.400  1900.48  977.604  587.094  1152.06   64.895   17.949   47.781   19.271 17.11416 26.33493 
1 1 1   52    6   20 o   37.798   15.723  237.805  797.412 -497.9144  998.393  1533.98  1325.19   34.732   15.868   59.574   21.452 -24.84284 26.68324 
1 1 1   52    8    3 o  105.212   17.946  4651.03  1478.06   0.0000   0.0000  4651.03  1478.06  ?   ?   105.212   17.946 0.000000 17.94560 
1 1 1   52    8    4 f  209.183   13.589 17915.92  2295.65 21615.11  3008.00 12755.95  3552.61  229.468   16.249  174.083   25.924 55.38483 30.59595 
1 1 1   52    8    5 o  345.559   20.752 49159.07  5795.71 58254.56  7784.41 37846.40  8681.51  374.942   25.725  298.477   36.588 76.46429 44.72639 
1 1 1   52    8    6 o  342.972   14.021 47997.93  3904.47 52916.84  5489.12 42960.27  5554.98  358.895   18.903  322.730   21.319 36.16422 28.49222 
1 1 1   52    8    7 o  364.849   12.905 54290.26  3823.18 55081.55  5399.56 53494.73  5414.04  366.684   18.135  360.829   18.542 5.854492 25.93631 
1 1 1   52    8    8 o  309.779   12.518 39141.55  3148.72 42150.80  4459.86 36150.85  4446.09  320.354   17.209  296.318   18.573 24.03577 25.31986 
1 1 1   52    8    9 o  301.673   13.752 37184.42  3368.55 37435.13  4170.56 36713.92  5713.31  301.695   17.095  296.949   23.898 4.745850 29.38298 
1 1 1   52    8   10 o  302.789   12.892 37475.88  3169.52 39278.39  4510.27 35717.28  4454.99  308.463   18.087  293.912   18.766 14.55087 26.06310 
1 1 1   52    8   11 o  194.538   10.105 15489.36  1590.65 16509.66  2262.88 14492.81  2236.39  200.134   14.014  187.276   14.828 12.85867 20.40251 
1 1 1   52    8   12 o  213.910   9.6593 18695.00  1677.70 17696.91  2392.21 19661.07  2353.52  206.863   14.330  218.349   13.339 -11.48584 19.57769 
1 1 1   52    8   13 o  308.776   12.772 39229.35  3202.19 37628.82  4572.21 40770.21  4486.17  299.512   18.898  312.384   17.760 -12.87183 25.93338 
1 1 1   52    8   14 o  281.413   12.464 32637.59  2847.99 32582.13  4068.24 32690.88  3988.28  278.356   18.098  279.033   17.695 -0.6773376 25.31099 
1 1 1   52    8   15 o  207.141   10.704 17692.95  1794.16 18709.89  2550.58 16696.89  2524.27  211.502   14.948  199.435   15.716 12.06711 21.68943 
1 1 1   52    8   16 o  143.138   9.7280  8461.55  1123.91  8491.59  1541.45  8427.44  1642.24  142.291   13.503  141.404   14.509 0.8872833 19.82048 
1 1 1   52    8   17 o  202.278   10.992 16983.76  1798.59 15920.36  2536.51 18059.09  2550.72  193.299   16.313  206.509   15.321 -13.21077 22.38008 
1 1 1   52    8   18 o   51.541   15.312  1149.39  687.560  1630.55  855.018  268.840  1156.67   60.701   16.785   44.884   18.824 15.81638 25.22081 
1 1 1   52    8   19 o   51.565   15.612  1163.74  709.818  861.919  840.667  1913.29  1324.80   47.310   17.079   65.179   21.535 -17.86907 27.48566 
1 1 1   52    8   20 o  108.188   12.766  5067.95  1099.83  4563.69  1402.74  5872.60  1771.97   99.664   17.996  111.707   20.283 -12.04313 27.11600 
1 1 1   52   10    3 o  180.168   23.763 13581.87  3391.41 13581.87  3391.41   0.0000   0.0000  180.168   23.763  ?   ?  0.000000 23.76253 
1 1 1   52   10    4 f  431.823   34.753 78475.60 12082.24 78475.60 12082.24   0.0000   0.0000  431.823   34.753  ?   ?  0.000000 34.75329 
1 1 1   52   10    5 o  437.349   34.202 80495.73 12048.82   0.0000   0.0000 80495.73 12048.82  ?   ?   437.349   34.202 0.000000 34.20182 
1 1 1   52   10    6 o  365.403   13.227 54471.48  3924.37 39093.28  6323.60 64103.91  5004.71  306.497   25.645  396.027   15.564 -89.53006 29.99865 
1 1 1   52   10    7 o  289.654   13.980 34260.27  3287.92 39455.63  5284.88 30979.57  4199.62  308.985   21.193  274.134   18.984 34.85086 28.45243 
1 1 1   52   10    8 o  233.381   11.133 22203.18  2109.60 24792.77  2965.67 19550.63  3001.51  245.772   14.932  217.739   17.115 28.03290 22.71310 
1 1 1   52   10    9 o  337.721   12.055 46565.40  3305.74 46282.94  4694.26 46843.29  4656.02  335.271   17.303  337.366   17.052 -2.096039 24.29347 
1 1 1   52   10   10 o  262.234   11.273 28090.70  2400.30 27502.50  3402.90 28673.15  3386.24  258.112   16.321  263.681   15.890 -5.568237 22.77884 
1 1 1   52   10   11 o   93.184   8.6534  3571.75  647.266  3047.47  825.199  4410.10  1043.49   85.397   12.252  102.943   12.757 -17.54603 17.68775 
1 1 1   52   10   12 o  146.682   9.0073  8821.76  1067.58  8888.87  1466.30  8746.04  1557.38  146.594   12.436  145.196   13.360 1.397873 18.25223 
1 1 1   52   10   13 o  113.351   9.0787  5288.03  828.565  5991.39  1114.02  4417.25  1239.54  120.225   11.554  102.149   15.425 18.07520 19.27274 
1 1 1   52   10   14 o   92.108   9.5631  3513.86  704.789  3505.16  925.437  3525.87  1087.51   91.281   12.841   90.932   15.270 0.3486710 19.95205 
1 1 1   52   10   15 o   35.838   13.085  436.470  495.438  303.979  591.682  747.291  906.256   35.412   13.966   47.332   17.623 -11.91960 22.48613 
1 1 1   52   10   16 o  114.438   9.5172  5422.65  876.311  5091.63  1173.76  5839.51  1317.19  109.796   13.447  117.476   14.090 -7.679634 19.47705 
1 1 1   52   10   17 f   49.885   14.463  1071.51  619.932  1322.51  771.126  612.853  1042.39   55.213   16.166   47.078   18.546 8.135567 24.60286 
1 1 1   52   10   18 o  183.178   10.802 14015.24  1599.47 14664.94  2196.49 13281.81  2333.73  185.205   14.728  175.008   16.623 10.19696 22.20853 
1 1 1   52   10   19 o   62.878   14.895  1767.53  748.774  2254.30  902.923  695.620  1339.88   70.730   16.085   50.797   20.676 19.93254 26.19602 
1 1 1   52   10   20 o   76.788   14.016  2630.16  841.696  2932.62  1010.44  1944.54  1521.30   80.130   16.089   64.339   23.004 15.79098 28.07209 
1 1 1   52   12    0 o  130.438   20.798  7154.10  2128.77   0.0000   0.0000  7154.10  2128.77  ?   ?   130.438   20.798 0.000000 20.79798 
1 1 1   52   12    1 o   46.843   18.523  491.436  1043.44   0.0000   0.0000  491.436  1043.44  ?   ?    46.843   18.523 0.000000 18.52312 
1 1 1   52   12    2 o  462.703   35.326 90271.14 13171.79   0.0000   0.0000 90271.14 13171.79  ?   ?   462.703   35.326 0.000000 35.32631 
1 1 1   52   12    3 f  414.935   23.202 71130.40  7785.86 67818.77 11345.85 74077.89 10703.91  400.634   35.236  420.417   31.587 -19.78247 47.32166 
1 1 1   52   12    4 o  134.526   14.882  7481.30  1598.29  6742.73  2507.45  7986.74  2074.31  125.567   25.465  138.316   18.970 -12.74915 31.75356 
1 1 1   52   12    5 o  135.000   24.464  7749.09  2582.93  7749.09  2582.93   0.0000   0.0000  135.000   24.464  ?   ?  0.000000 24.46437 
1 1 1   52   12    6 o  202.441   15.402 16854.55  2512.73 20047.58  4053.73 14862.21  3202.09  219.265   23.118  188.883   21.248 30.38190 31.39875 
1 1 1   52   12    7 o  172.148   18.566 12306.74  2554.05   0.0000   0.0000 12306.74  2554.05  ?   ?   172.148   18.566 0.000000 18.56594 
1 1 1   52   12    8 o  317.942   14.125 41355.27  3646.57 42315.55  5872.45 40752.62  4652.18  318.892   22.831  314.291   18.309 4.600922 29.26561 
1 1 1   52   12    9 o   82.700   8.0647  2811.38  534.652  3349.28  654.864  1736.09  925.896   90.206   9.0634   63.902   17.383 26.30400 19.60417 
1 1 1   52   12   10 o  367.247   13.664 55360.65  4074.45 53370.16  5792.86 57309.46  5731.91  357.830   20.018  371.276   19.078 -13.44534 27.65315 
1 1 1   52   12   11 o   81.299   8.2588  2724.11  537.608  2754.84  651.674  2658.62  951.208   81.470   10.065   78.945   15.392 2.525032 18.39113 
1 1 1   52   12   12 o  300.212   11.511 37008.44  2805.89 36449.31  3995.08 37552.72  3941.72  295.655   16.710  300.335   16.224 -4.679810 23.29049 
1 1 1   52   12   13 o  151.429   12.255  9508.36  1493.84 10636.11  3814.04  9304.01  1623.56  152.024   31.915  149.443   13.527 2.581146 34.66312 
1 1 1   52   12   14 o  229.052   10.865 21592.34  2020.63 20664.74  2846.12 22535.05  2869.21  221.850   15.906  231.989   15.318 -10.13954 22.08241 
1 1 1   52   12   15 o  114.759   8.9368  5436.13  826.167  5162.94  1046.24  5888.64  1346.53  111.143   11.773  118.005   14.349 -6.861404 18.56009 
1 1 1   52   12   16 o  135.115   9.5925  7557.57  1045.55  8230.03  1382.84  6660.06  1597.56  140.192   12.272  124.578   16.175 15.61412 20.30354 
1 1 1   52   12   17 o  140.580   9.8001  8211.28  1111.65  7935.09  1438.07  8621.37  1752.32  136.967   13.090  141.721   15.480 -4.754028 20.27254 
1 1 1   52   12   18 o   46.166   13.332  925.055  527.702  818.317  620.746  1203.22  1002.08   44.484   14.743   53.899   18.721 -9.415157 23.82918 
1 1 1   52   12   19 o   35.278   13.202  424.221  509.845  718.761  577.751 -612.4506  1083.90   41.848   14.227   35.523   16.342 6.324726 21.66690 
1 1 1   52   12   20 o   57.629   13.730  1505.23  633.302  1459.56  732.994  1639.71  1257.79   56.237   15.537   59.303   20.947 -3.065582 26.08051 
1 1 1   52   14    0 o  320.114   27.461 42826.96  7068.70   0.0000   0.0000 42826.96  7068.70  ?   ?   320.114   27.461 0.000000 27.46133 
1 1 1   52   14    1 o  154.401   21.076  9979.58  2573.26   0.0000   0.0000  9979.58  2573.26  ?   ?   154.401   21.076 0.000000 21.07609 
1 1 1   52   14    2 o  373.098   29.959 58368.79  8999.35   0.0000   0.0000 58368.79  8999.35  ?   ?   373.098   29.959 0.000000 29.95905 
1 1 1   52   14    3 o  241.999   16.305 24073.85  3185.24 30030.88  4872.77 19629.21  4209.00  269.011   22.515  216.654   24.348 52.35722 33.16273 
1 1 1   52   14    4 o  635.622   33.251 170116.91 17101.36 170410.80 24586.16 169841.30 23802.79  623.386   48.967  623.833   47.345 -0.4466553 68.11245 
1 1 1   52   14    5 o  433.691   24.032 78035.65  8429.64 78071.20 12358.26 78004.72 11527.65  428.236   35.872  429.407   33.323 -1.170837 48.96159 
1 1 1   52   14    6 o  290.146   14.594 34522.16  3427.17 30893.08  6527.48 35903.30  4026.86  269.940   30.304  295.419   16.858 -25.47867 34.67762 
1 1 1   52   14    7 o  235.322   15.437 22792.56  2933.34 29554.84  4788.35 18730.39  3711.23  266.258   22.355  211.687   21.909 54.57083 31.30105 
1 1 1   52   14    8 o  357.203   20.021 52954.08  5783.38 60897.94  8894.89 47136.41  7612.01  378.656   29.155  333.273   28.400 45.38354 40.70113 
1 1 1   52   14    9 o  374.098   29.686 60102.49  8943.16   0.0000   0.0000 60102.49  8943.16  ?   ?   374.098   29.686 0.000000 29.68589 
1 1 1   52   14   10 o  141.605   13.041  8307.84  1482.59   0.0000   0.0000  8307.84  1482.59  ?   ?   141.605   13.041 0.000000 13.04102 
1 1 1   52   14   11 o  135.236   13.256  7604.54  1436.85   0.0000   0.0000  7604.54  1436.85  ?   ?   135.236   13.256 0.000000 13.25558 
1 1 1   52   14   12 o   69.107   8.1976  1978.50  451.023  1579.67  508.749  3442.87  974.842   61.187   10.626   90.292   13.729 -29.10485 17.36073 
1 1 1   52   14   13 o   69.064   16.903  2075.48  940.177 -1180.7791  3226.96  2377.53  982.815   63.824   28.913   73.971   16.752 -10.14739 33.41521 
1 1 1   52   14   14 o   78.953   8.7500  2586.22  551.505  2662.36  658.219  2406.81  1010.34   79.776   10.410   74.197   17.119 5.579109 20.03534 
1 1 1   52   14   15 o   82.971   8.7730  2857.95  582.070  2747.12  701.639  3102.61  1042.43   80.825   10.975   84.612   15.753 -3.787453 19.19912 
1 1 1   52   14   16 o   84.521   9.5135  2983.07  641.550  3067.97  746.571  2743.38  1254.44   85.333   11.033   78.026   19.775 7.307426 22.64480 
1 1 1   52   14   17 o   40.473   12.398  691.863  445.813  186.163  488.088  3237.65  1095.12   30.884   12.513   85.574   16.357 -54.69003 20.59423 
1 1 1   52   14   18 o   25.844   10.738   80.842  371.348  153.970  394.279 -493.5569  1105.01   27.812   11.254   36.949   16.808 -9.136532 20.22794 
1 1 1   52   14   19 o   45.486   11.910  915.187  445.048  745.977  484.088  1839.13  1131.19   41.530   12.952   62.473   19.842 -20.94300 23.69551 
1 1 1   52   16    0 o  175.141   22.230 12853.83  3090.11   0.0000   0.0000 12853.83  3090.11  ?   ?   175.141   22.230 0.000000 22.22999 
1 1 1   52   16    1 o  137.505   22.583  8001.98  2433.82   0.0000   0.0000  8001.98  2433.82  ?   ?   137.505   22.583 0.000000 22.58300 
1 1 1   52   16    2 f  297.086   26.292 36940.98  6276.78   0.0000   0.0000 36940.98  6276.78  ?   ?   297.086   26.292 0.000000 26.29206 
1 1 1   52   16    3 o  329.937   27.782 45680.13  7373.54   0.0000   0.0000 45680.13  7373.54  ?   ?   329.937   27.782 0.000000 27.78226 
1 1 1   52   16    4 o  273.699   18.653 30938.19  4120.58 28203.33  6278.97 33006.94  5461.04  257.553   30.625  281.168   24.155 -23.61496 39.00487 
1 1 1   52   16    5 o   47.999   17.841  729.650  928.047  1639.90  1951.09  463.489  1055.04   70.146   25.910   46.600   18.563 23.54582 31.87302 
1 1 1   52   16    6 o  118.489   11.031  5779.59  1049.06  8238.37  2740.91  5357.58  1135.52  138.490   25.307  113.812   12.493 24.67853 28.22293 
1 1 1   52   16    7 o  238.917   12.833 23440.02  2480.47 25220.84  5224.27 22921.73  2818.41  243.363   26.887  235.814   14.795 7.549118 30.68888 
1 1 1   52   16    8 o   67.848   13.213  1952.68  701.745  2372.00  2213.14  1905.81  739.927   78.733   27.789   66.874   14.072 11.85895 31.14891 
1 1 1   52   16    9 o   81.115   16.059  2813.61  1020.23  7148.70  2636.51  2050.16  1106.43  127.336   26.368   69.056   19.093 58.28049 32.55474 
1 1 1   52   16   10 o  142.275   15.764  8490.30  1790.52  8044.18  3813.54  8616.46  2027.94  131.526   35.068  142.697   17.896 -11.17020 39.37070 
1 1 1   52   16   11 o   71.899   20.710  2241.60  1274.84   0.0000   0.0000  2241.60  1274.84  ?   ?    71.899   20.710 0.000000 20.71014 
1 1 1   52   16   12 o  241.750   15.707 24477.30  3066.36   0.0000   0.0000 24477.30  3066.36  ?   ?   241.750   15.707 0.000000 15.70651 
1 1 1   52   16   13 o  157.916   13.706 10439.49  1739.94   0.0000   0.0000 10439.49  1739.94  ?   ?   157.916   13.706 0.000000 13.70565 
1 1 1   52   16   14 o   99.206   15.337  4220.21  1195.57  3375.28  4244.60  4293.02  1246.02   93.333   37.216   99.886   15.896 -6.553139 40.46835 
1 1 1   52   16   15 o   96.604   16.374  4058.72  1238.48  8605.13  4682.86  3716.81  1284.21  125.891   40.413   91.805   17.871 34.08607 44.18842 
1 1 1   52   16   16 o   36.660   10.928  567.133  349.793  515.549  375.983  899.190  953.932   35.547   11.455   49.406   18.138 -13.85829 21.45297 
1 1 1   52   16   17 f  132.555   9.4984  7335.83  1015.55  7390.66  1251.08  7229.90  1738.88  132.084   11.789  127.737   17.203 4.346817 20.85487 
1 1 1   52   16   18 o   87.769   9.3334  3250.60  654.942  3797.16  752.652  1545.97  1329.20   94.704   9.9359   59.466   21.475 35.23800 23.66176 
1 1 1   52   18    0 o  607.377   48.162 164479.50 23557.38   0.0000   0.0000 164479.50 23557.38  ?   ?   607.377   48.162 0.000000 48.16222 
1 1 1   52   18    1 o  347.030   30.117 51021.91  8402.09   0.0000   0.0000 51021.91  8402.09  ?   ?   347.030   30.117 0.000000 30.11687 
1 1 1   52   18    2 o  218.007   23.757 19961.84  4137.29   0.0000   0.0000 19961.84  4137.29  ?   ?   218.007   23.757 0.000000 23.75723 
1 1 1   52   18    3 o  252.277   24.558 26744.65  4966.65   0.0000   0.0000 26744.65  4966.65  ?   ?   252.277   24.558 0.000000 24.55777 
1 1 1   52   18    4 o   24.209   11.904 -1698.3920  816.779 -2103.5320  1541.11 -1540.1379  963.182   37.388   17.891   28.435   13.742 8.953165 22.55961 
1 1 1   52   18    5 o  103.762   19.235  4590.83  1560.93  2548.05  2719.91  5594.03  1906.06   84.091   30.665  114.297   21.323 -30.20589 37.34956 
1 1 1   52   18    6 o  260.825   12.605 27885.38  2669.44 33788.12  5718.35 26240.62  3018.52  282.092   25.232  252.142   14.809 29.95026 29.25674 
1 1 1   52   18    7 o  164.087   11.279 11079.50  1493.58 15628.15  3757.87 10226.14  1627.67  190.706   24.859  157.290   12.857 33.41640 27.98738 
1 1 1   52   18    8 o   46.501   14.370  891.256  597.439 -4128.0122  2872.91  1118.13  610.792   49.511   23.880   51.285   14.189 -1.774101 27.77727 
1 1 1   52   18    9 o  232.023   13.119 22266.91  2461.50 30509.67  6078.52 20650.09  2692.11  263.038   28.939  222.790   14.969 40.24828 32.58118 
1 1 1   52   18   10 o  178.996   12.903 13294.04  1862.79 16128.88  5281.19 12891.23  1990.74  184.909   36.471  175.895   14.056 9.013275 39.08586 
1 1 1   52   18   11 o   57.991   19.501  1355.20  1085.48  5123.95  4125.54  1074.89  1125.12  106.438   37.901   54.480   19.745 51.95818 42.73540 
1 1 1   52   18   12 o  184.831   17.713 14548.93  2625.81 13268.60  5591.84 14911.11  2974.10  160.022   42.369  185.965   20.011 -25.94356 46.85710 
1 1 1   52   18   13 o  241.886   23.217 25827.61  4503.83   0.0000   0.0000 25827.61  4503.83  ?   ?   241.886   23.217 0.000000 23.21676 
1 1 1   52   18   14 o  244.307   16.418 25453.32  3237.97   0.0000   0.0000 25453.32  3237.97  ?   ?   244.307   16.418 0.000000 16.41825 
1 1 1   52   18   15 o   84.041   17.501  3142.91  1155.46 -1225.5110  5174.99  3372.12  1185.39   75.841   35.179   87.180   17.356 -11.33897 39.22711 
1 1 1   52   18   16 o   64.727   20.051  1897.84  1162.39 -6366.8779  5720.06  2253.83  1187.16   65.201   31.947   70.005   19.929 -4.804359 37.65287 
1 1 1   52   18   17 o   52.578   19.528  1090.88  1111.31   0.0000   0.0000  1090.88  1111.31  ?   ?    52.578   19.528 0.000000 19.52773 
1 1 1   52   18   18 o   95.219   20.686  4415.96  1553.55   0.0000   0.0000  4415.96  1553.55  ?   ?    95.219   20.686 0.000000 20.68561 
1 1 1   52   20    0 o   96.453   26.283  4043.35  2114.48   0.0000   0.0000  4043.35  2114.48  ?   ?    96.453   26.283 0.000000 26.28265 
1 1 1   52   20    1 o  172.921   25.150 12784.12  3427.67   0.0000   0.0000 12784.12  3427.67  ?   ?   172.921   25.150 0.000000 25.14956 
1 1 1   52   20    2 o  563.472   46.307 145059.70 20999.08   0.0000   0.0000 145059.70 20999.08  ?   ?   563.472   46.307 0.000000 46.30720 
1 1 1   52   20    3 o  416.045   34.901 75850.71 11681.06   0.0000   0.0000 75850.71 11681.06  ?   ?   416.045   34.901 0.000000 34.90078 
1 1 1   52   20    4 o   39.544   16.871   2.5940  955.981 -1049.1180  2136.76  265.791  1068.93   52.070   23.563   44.428   18.319 7.641644 29.84620 
1 1 1   52   20    5 o  200.724   11.424 16565.95  1854.20 28211.76  5261.98 14914.89  1981.28  256.406   25.617  190.086   12.913 66.32021 28.68810 
1 1 1   52   20    6 o   84.207   11.292  2958.98  752.636 -3372.5061  3621.83  3244.74  769.432   60.623   28.542   88.309   10.967 -27.68613 30.57607 
1 1 1   52   20    7 o  233.101   12.577 22438.15  2371.66 33060.70  5967.97 20445.96  2584.51  275.321   27.045  221.888   14.423 53.43335 30.65097 
1 1 1   52   20    8 f  108.979   12.559  4958.70  1090.98 12481.91  4552.88  4500.41  1123.72  163.024   35.409  103.472   13.713 59.55151 37.97129 
1 1 1   52   20    9 o  233.541   19.637 23220.43  3689.21 24251.36  6542.92 22739.90  4467.00  226.438   36.854  228.227   24.488 -1.789581 44.24784 
1 1 1   52   20   10 o   30.924   13.518 -120.5801  643.847  4147.73  4354.56 -215.9770  651.003  100.183   38.334   30.055   13.346 70.12772 40.59074 
1 1 1   52   20   11 o   86.075   16.661  3216.39  1122.36  4933.69  5077.26  3128.16  1150.83  105.930   41.163   84.668   17.324 21.26237 44.65969 
1 1 1   52   20   12 o  191.171   13.604 15327.72  2097.87 22620.57  6853.87 14573.84  2203.64  207.913   42.044  185.882   14.721 22.03171 44.54657 
1 1 1   52   20   13 o  159.973   18.444 11126.48  2351.82 12358.23  6170.53 10917.14  2543.83  144.490   46.391  157.322   20.394 -12.83183 50.67627 
1 1 1   52   20   14 o   65.131   23.035  1780.12  1521.38  2270.30  5342.87  1736.86  1587.08   88.748   38.864   65.018   23.468 23.73023 45.39993 
1 1 1   52   20   15 o   96.087   18.079  4153.14  1358.76   0.0000   0.0000  4153.14  1358.76  ?   ?    96.087   18.079 0.000000 18.07916 
1 1 1   52   20   16 o   83.340   20.538  3291.51  1380.79   0.0000   0.0000  3291.51  1380.79  ?   ?    83.340   20.538 0.000000 20.53757 
1 1 1   52   20   17 o   49.297   18.984  909.317  1072.42   0.0000   0.0000  909.317  1072.42  ?   ?    49.297   18.984 0.000000 18.98427 
1 1 1   52   22    0 o   31.281   7.3840  414.961  184.534   0.0000   0.0000  414.961  184.534  ?   ?    31.281   7.3840 0.000000 7.383972 
1 1 1   52   22    1 o  119.183   10.951  5868.71  1047.89   0.0000   0.0000  5868.71  1047.89  ?   ?   119.183   10.951 0.000000 10.95084 
1 1 1   52   22    2 o  253.060   15.391 26591.71  3147.56   0.0000   0.0000 26591.71  3147.56  ?   ?   253.060   15.391 0.000000 15.39146 
1 1 1   52   22    3 o  122.126   12.115  6189.00  1185.52   0.0000   0.0000  6189.00  1185.52  ?   ?   122.126   12.115 0.000000 12.11521 
1 1 1   52   22    4 o  201.694   11.652 16773.27  1900.17   0.0000   0.0000 16773.27  1900.17  ?   ?   201.694   11.652 0.000000 11.65244 
1 1 1   52   22    5 o  297.452   12.623 36476.60  3048.75 56620.09  7659.44 32684.35  3323.37  360.725   26.333  280.471   14.644 80.25430 30.13060 
1 1 1   52   22    6 o   49.172   14.020  1026.85  587.091  4830.26  3873.49  937.424  593.953  104.544   36.778   47.327   14.271 57.21642 39.44979 
1 1 1   52   22    7 o  141.989   11.677  8362.90  1334.27 12381.22  5057.78  8062.34  1383.27  158.634   39.436  139.217   12.366 19.41699 41.32944 
1 1 1   52   22    8 o   76.076   15.589  2500.92  930.595 -1890.0020  4442.49  2702.44  951.710   72.225   33.174   79.211   15.352 -6.985542 36.55359 
1 1 1   52   22    9 o   77.454   25.038  2618.21  1795.12  8193.45  5324.79  1903.31  1906.75  126.130   43.188   70.295   25.669 55.83484 50.24072 
1 1 1   52   22   10 o  244.723   17.234 25473.87  3402.60 11279.98  8935.84 27880.91  3679.82  137.312   54.235  255.661   17.838 -118.3494 57.09317 
1 1 1   52   22   11 o   38.691   16.223  152.716  858.705  653.270  4655.71  135.088  873.694   81.389   35.938   38.788   16.319 42.60101 39.46921 
1 1 1   52   22   12 o  105.490   16.897  4853.99  1398.43  252.995  5686.25  5150.19  1442.74   84.487   38.317  108.727   16.890 -24.23926 41.87412 
1 1 1   52   22   13 o   65.151   20.119  1895.81  1171.36  5699.78  6968.56  1785.20  1188.27  105.115   45.216   63.590   20.352 41.52494 49.58517 
1 1 1   52   22   14 f  108.763   18.100  5303.91  1542.29  3094.28  6824.21  5422.85  1583.25   92.321   41.910  109.828   18.405 -17.50723 45.77354 
1 1 1   52   22   15 f   55.708   22.441  1007.46  1560.21   0.0000   0.0000  1007.46  1560.21  ?   ?    55.708   22.441 0.000000 22.44071 
1 1 1   52   22   16 o   86.882   27.075  4091.28  2115.84   0.0000   0.0000  4091.28  2115.84  ?   ?    86.882   27.075 0.000000 27.07503 
1 1 1   52   24    0 o   69.817   16.948  2118.44  951.057   0.0000   0.0000  2118.44  951.057  ?   ?    69.817   16.948 0.000000 16.94753 
1 1 1   52   24    1 o  253.268   12.087 26451.66  2485.61   0.0000   0.0000 26451.66  2485.61  ?   ?   253.268   12.087 0.000000 12.08684 
1 1 1   52   24    2 o  240.119   14.055 23988.81  2728.31   0.0000   0.0000 23988.81  2728.31  ?   ?   240.119   14.055 0.000000 14.05486 
1 1 1   52   24    3 o   90.294   11.034  3402.74  792.117   0.0000   0.0000  3402.74  792.117  ?   ?    90.294   11.034 0.000000 11.03374 
1 1 1   52   24    4 o  126.441   11.685  6646.73  1186.13   0.0000   0.0000  6646.73  1186.13  ?   ?   126.441   11.685 0.000000 11.68548 
1 1 1   52   24    5 o  135.386   11.507  7612.94  1252.92 21058.25  5433.14  6857.76  1287.63  213.024   32.435  128.173   12.533 84.85120 34.77230 
1 1 1   52   24    6 o   81.181   13.511  2806.16  859.281   0.0000   0.0000  2806.16  859.281  ?   ?    81.181   13.511 0.000000 13.51087 
1 1 1   52   24    7 o   50.725   15.459  1087.17  694.271  7656.88  4970.46  956.438  701.145  122.371   41.728   48.310   15.651 74.06133 44.56636 
1 1 1   52   24    8 o  126.197   24.387  7215.00  2408.41  3483.15  6026.96  7924.16  2627.30  100.918   42.681  131.817   25.469 -30.89994 49.70201 
1 1 1   52   24    9 f   93.612   15.480  3780.64  1135.53 -3606.1660  6065.32  4048.96  1155.97   77.190   36.522   97.055   15.165 -19.86578 39.54522 
1 1 1   52   24   10 f   53.994   18.715  1168.46  1001.26 -5851.5122  5704.08  1391.64  1017.05   68.894   33.331   57.438   18.864 11.45536 38.29874 
1 1 1   52   24   11 o  184.706   15.076 14562.70  2241.34 17145.39  8643.23 14376.51  2320.73  152.733   54.808  183.102   15.763 -30.36942 57.03007 
1 1 1   52   24   12 o  164.751   14.988 11667.04  1983.08  8656.70  8898.24 11824.37  2034.24  113.597   49.940  165.678   15.294 -52.08069 52.22963 
1 1 1   52   24   13 o   42.408   18.233  104.886  1132.12  5630.05  8289.92  -0.1175  1142.82   99.869   45.666   41.645   18.111 58.22343 49.12626 
1 1 1   52   24   14 o   55.506   21.079  1212.19  1310.48   0.0000   0.0000  1212.19  1310.48  ?   ?    55.506   21.079 0.000000 21.07902 
1 1 1   52   24   15 o   63.531   22.563  1923.59  1461.22   0.0000   0.0000  1923.59  1461.22  ?   ?    63.531   22.563 0.000000 22.56326 
1 1 1   52   26    0 o   64.261   18.615  1799.10  1027.33   0.0000   0.0000  1799.10  1027.33  ?   ?    64.261   18.615 0.000000 18.61487 
1 1 1   52   26    1 o   90.573   19.551  3625.13  1395.71   0.0000   0.0000  3625.13  1395.71  ?   ?    90.573   19.551 0.000000 19.55124 
1 1 1   52   26    2 o  266.034   14.938 29707.07  3213.74   0.0000   0.0000 29707.07  3213.74  ?   ?   266.034   14.938 0.000000 14.93814 
1 1 1   52   26    3 o  176.146   12.452 12932.76  1769.48   0.0000   0.0000 12932.76  1769.48  ?   ?   176.146   12.452 0.000000 12.45204 
1 1 1   52   26    4 o  112.161   11.220  5249.81  1008.10   0.0000   0.0000  5249.81  1008.10  ?   ?   112.161   11.220 0.000000 11.21993 
1 1 1   52   26    5 o  172.397   12.391 12405.94  1722.93   0.0000   0.0000 12405.94  1722.93  ?   ?   172.397   12.391 0.000000 12.39105 
1 1 1   52   26    6 o  177.014   11.967 13066.93  1709.86 31001.34  7147.22 11978.18  1761.00  250.357   36.211  169.072   12.926 81.28525 38.44896 
1 1 1   52   26    7 o  108.567   28.385  5632.54  2530.37 18724.09  6721.57  3470.88  2731.29  182.051   45.576   87.429   30.870 94.62265 55.04631 
1 1 1   52   26    8 o   51.236   17.833  1040.44  909.537  7821.49  6434.61  902.190  918.762  117.329   46.124   49.262   17.844 68.06651 49.45544 
1 1 1   52   26    9 o   97.979   16.455  4202.06  1262.71  8306.50  7206.46  4072.06  1282.56  116.973   47.819   96.176   17.048 20.79626 50.76691 
1 1 1   52   26   10 o  102.585   17.579  4669.02  1411.58 10308.09  8091.11  4492.00  1433.56  120.712   50.139  100.243   18.286 20.46862 53.36915 
1 1 1   52   26   11 o   75.683   20.858  2671.44  1322.96  4797.79  7536.35  2603.83  1343.82   98.421   44.421   74.670   21.184 23.75033 49.21376 
1 1 1   52   26   12 o   48.742   20.073  573.484  1281.59   0.0000   0.0000  573.484  1281.59  ?   ?    48.742   20.073 0.000000 20.07341 
1 1 1   52   26   13 o   89.332   21.853  3907.43  1572.04   0.0000   0.0000  3907.43  1572.04  ?   ?    89.332   21.853 0.000000 21.85288 
1 1 1   52   26   14 o   76.930   22.116  3007.75  1455.06   0.0000   0.0000  3007.75  1455.06  ?   ?    76.930   22.116 0.000000 22.11570 
1 1 1   52   28    0 o   70.187   20.696  2200.22  1259.91   0.0000   0.0000  2200.22  1259.91  ?   ?    70.187   20.696 0.000000 20.69635 
1 1 1   52   28    1 o  142.933   19.972  9002.31  2254.52   0.0000   0.0000  9002.31  2254.52  ?   ?   142.933   19.972 0.000000 19.97154 
1 1 1   52   28    2 o  204.613   12.753 17543.73  2108.17   0.0000   0.0000 17543.73  2108.17  ?   ?   204.613   12.753 0.000000 12.75259 
1 1 1   52   28    3 o  152.041   11.458  9655.19  1404.14   0.0000   0.0000  9655.19  1404.14  ?   ?   152.041   11.458 0.000000 11.45816 
1 1 1   52   28    4 o  235.090   14.028 23322.90  2665.48   0.0000   0.0000 23322.90  2665.48  ?   ?   235.090   14.028 0.000000 14.02769 
1 1 1   52   28    5 o  128.283   25.859  7721.67  2600.48   0.0000   0.0000  7721.67  2600.48  ?   ?   128.283   25.859 0.000000 25.85888 
1 1 1   52   28    6 o   84.233   27.187  3348.25  2117.08 10829.66  7605.31  2719.82  2204.20  127.179   50.097   78.006   27.711 49.17352 57.25091 
1 1 1   52   28    7 o  218.920   14.158 20374.62  2503.11 21176.61  9916.00 20320.04  2586.89  158.982   58.463  218.257   14.683 -59.27469 60.27866 
1 1 1   52   28    8 o   81.680   18.130  3014.86  1171.03  602.616  8155.67  3065.64  1183.29   91.048   42.855   82.358   18.181 8.690292 46.55229 
1 1 1   52   28    9 o   57.639   19.646  1430.89  1101.76 -8483.0537  8626.11  1595.30  1110.85   75.564   37.438   60.044   19.714 15.52067 42.31163 
1 1 1   52   28   10 o   52.623   19.933  1039.03  1169.89   0.0000   0.0000  1039.03  1169.89  ?   ?    52.623   19.933 0.000000 19.93253 
1 1 1   52   28   11 o   28.470   13.850 -1609.1340  1020.95   0.0000   0.0000 -1609.1340  1020.95  ?   ?    28.470   13.850 0.000000 13.84996 
1 1 1   52   28   12 o   58.157   20.852  1535.39  1250.77   0.0000   0.0000  1535.39  1250.77  ?   ?    58.157   20.852 0.000000 20.85170 
1 1 1   52   28   13 o   49.241   20.426  741.005  1340.40   0.0000   0.0000  741.005  1340.40  ?   ?    49.241   20.426 0.000000 20.42623 
1 1 1   52   30    0 o   47.142   19.888  297.886  1303.36   0.0000   0.0000  297.886  1303.36  ?   ?    47.142   19.888 0.000000 19.88773 
1 1 1   52   30    1 o   78.498   25.920  2885.06  1919.26   0.0000   0.0000  2885.06  1919.26  ?   ?    78.498   25.920 0.000000 25.91955 
1 1 1   52   30    2 o  207.664   13.057 18246.27  2190.38   0.0000   0.0000 18246.27  2190.38  ?   ?   207.664   13.057 0.000000 13.05676 
1 1 1   52   30    3 o  285.903   15.255 35049.60  3528.66   0.0000   0.0000 35049.60  3528.66  ?   ?   285.903   15.255 0.000000 15.25546 
1 1 1   52   30    4 o   75.595   11.726  2446.26  696.430   0.0000   0.0000  2446.26  696.430  ?   ?    75.595   11.726 0.000000 11.72590 
1 1 1   52   30    5 o   92.376   12.750  3663.28  930.812   0.0000   0.0000  3663.28  930.812  ?   ?    92.376   12.750 0.000000 12.74965 
1 1 1   52   30    6 o   83.094   14.825  3039.85  963.542   0.0000   0.0000  3039.85  963.542  ?   ?    83.094   14.825 0.000000 14.82494 
1 1 1   52   30    7 o   41.317   16.258  498.367  800.177   0.0000   0.0000  498.367  800.177  ?   ?    41.317   16.258 0.000000 16.25796 
1 1 1   52   30    8 o  113.010   16.198  5697.25  1443.86   0.0000   0.0000  5697.25  1443.86  ?   ?   113.010   16.198 0.000000 16.19826 
1 1 1   52   30    9 o   81.751   20.215  3210.19  1334.29   0.0000   0.0000  3210.19  1334.29  ?   ?    81.751   20.215 0.000000 20.21469 
1 1 1   52   30   10 o   46.332   18.906  617.148  1123.91   0.0000   0.0000  617.148  1123.91  ?   ?    46.332   18.906 0.000000 18.90612 
1 1 1   52   30   11 o   70.358   22.723  2569.64  1478.69   0.0000   0.0000  2569.64  1478.69  ?   ?    70.358   22.723 0.000000 22.72254 
1 1 1   52   32    0 o   49.818   21.292  354.788  1527.49   0.0000   0.0000  354.788  1527.49  ?   ?    49.818   21.292 0.000000 21.29204 
1 1 1   52   32    1 o  180.191   25.093 15788.91  3571.65   0.0000   0.0000 15788.91  3571.65  ?   ?   180.191   25.093 0.000000 25.09267 
1 1 1   52   32    2 o  261.244   25.916 33467.10  5424.76   0.0000   0.0000 33467.10  5424.76  ?   ?   261.244   25.916 0.000000 25.91582 
1 1 1   52   32    3 o  175.270   13.392 13228.55  1891.44   0.0000   0.0000 13228.55  1891.44  ?   ?   175.270   13.392 0.000000 13.39200 
1 1 1   52   32    4 o   74.992   11.637  2430.85  685.631   0.0000   0.0000  2430.85  685.631  ?   ?    74.992   11.637 0.000000 11.63720 
1 1 1   52   32    5 o   20.868   9.7459 -367.6771  408.034   0.0000   0.0000 -367.6771  408.034  ?   ?    20.868   9.7459 0.000000 9.745943 
1 1 1   52   32    6 o   55.213   16.278  1392.62  779.469   0.0000   0.0000  1392.62  779.469  ?   ?    55.213   16.278 0.000000 16.27823 
1 1 1   52   32    7 o   76.662   17.181  2748.84  1042.96   0.0000   0.0000  2748.84  1042.96  ?   ?    76.662   17.181 0.000000 17.18057 
1 1 1   52   32    8 o   28.412   13.324 -651.6594  775.878   0.0000   0.0000 -651.6594  775.878  ?   ?    28.412   13.324 0.000000 13.32359 
1 1 1   52   32    9 o   28.804   13.712 -917.0825  881.113   0.0000   0.0000 -917.0825  881.113  ?   ?    28.804   13.712 0.000000 13.71223 
1 1 1   52   34    0 o  111.779   29.335  7144.10  2696.05   0.0000   0.0000  7144.10  2696.05  ?   ?   111.779   29.335 0.000000 29.33541 
1 1 1   52   34    1 o   61.783   25.929  1440.31  2197.00   0.0000   0.0000  1440.31  2197.00  ?   ?    61.783   25.929 0.000000 25.92945 
1 1 1   52   34    2 o  131.096   35.509 11161.30  3873.23   0.0000   0.0000 11161.30  3873.23  ?   ?   131.096   35.509 0.000000 35.50890 
1 1 1   52   34    3 o   92.011   10.644  3648.42  780.550   0.0000   0.0000  3648.42  780.550  ?   ?    92.011   10.644 0.000000 10.64430 
1 1 1   52   34    4 f   80.782   11.388  2851.11  726.245   0.0000   0.0000  2851.11  726.245  ?   ?    80.782   11.388 0.000000 11.38815 
1 1 1   52   34    5 o   38.444   13.501  606.698  521.863   0.0000   0.0000  606.698  521.863  ?   ?    38.444   13.501 0.000000 13.50097 
1 1 1   52   34    6 o   70.044   16.051  2328.54  893.333   0.0000   0.0000  2328.54  893.333  ?   ?    70.044   16.051 0.000000 16.05116 
1 1 1   52   36    0 o   76.119   30.222  4137.62  2788.25   0.0000   0.0000  4137.62  2788.25  ?   ?    76.119   30.222 0.000000 30.22227 
1 1 1   52   36    1 o   48.646   23.028 -709.2000  2417.01   0.0000   0.0000 -709.2000  2417.01  ?   ?    48.646   23.028 0.000000 23.02800 
1 1 1   52   36    2 o   63.761   29.006  2041.43  3290.70   0.0000   0.0000  2041.43  3290.70  ?   ?    63.761   29.006 0.000000 29.00577 
1 1 1   53    1    0 o  104.908   11.786  4536.60  986.594  3744.66  1371.43  5386.08  1420.37   94.095   18.609  113.827   15.794 -19.73191 24.40788 
1 1 1   53    1    1 o  153.138   11.856  9604.31  1462.77  8699.65  2041.83 10558.13  2096.59  144.872   17.728  160.016   16.367 -15.14452 24.12785 
1 1 1   53    1    2 o  420.852   21.811 72780.66  7427.76 70770.60 10470.47 74817.02 10538.73  412.299   31.515  424.216   30.806 -11.91650 44.07055 
1 1 1   53    1    3 o  370.784   13.992 56037.74  4212.46 55103.83  5935.60 56985.45  5979.26  366.385   20.028  372.644   19.833 -6.259308 28.18608 
1 1 1   53    1    4 o  599.621   21.126 147339.00 10285.66 146952.80 14529.07 147727.09 14563.22  595.251   30.159  596.825   30.150 -1.573914 42.64469 
1 1 1   53    1    5 o  136.607   8.9516  7621.96  987.422  7429.02  1556.56  7751.88  1277.33  134.190   14.517  137.499   11.548 -3.309402 18.55019 
1 1 1   53    1    6 o  297.519   13.894 36097.66  3356.51 34478.67  4179.03 39040.43  5634.19  289.815   17.846  307.453   22.730 -17.63800 28.89865 
1 1 1   53    1    7 o  496.406   16.977 100756.60  6842.67 103083.30  9677.37 98430.26  9676.61  500.389   23.818  488.803   24.381 11.58591 34.08434 
1 1 1   53    1    8 o  658.732   23.082 178679.20 12345.84 177109.30 17459.95 180248.91 17459.37  650.208   33.182  656.969   32.730 -6.761414 46.60776 
1 1 1   53    1    9 f  364.506   13.756 54241.54  4071.27 57054.37  5758.09 51429.61  5757.19  372.406   19.107  353.257   20.155 19.14954 27.77226 
1 1 1   53    1   10 o  527.301   22.911 114918.30  9809.58 117513.20 11922.11 109479.30 17260.57  530.352   27.782  502.303   42.726 28.04926 50.96452 
1 1 1   53    1   11 o   29.478   12.141  105.262  468.849  220.891  677.950  -0.7338  649.097   36.334   14.738   32.728   13.931 3.606285 20.27981 
1 1 1   53    1   12 o  199.538   9.8981 16255.06  1603.68 16071.68  2268.53 16438.25  2267.36  197.324   14.255  199.612   14.080 -2.287476 20.03571 
1 1 1   53    1   13 o  134.422   9.5753  7421.19  1038.28  8041.25  1454.63  6777.19  1482.45  139.299   13.011  127.430   14.590 11.86909 19.54938 
1 1 1   53    1   14 o  149.490   9.7616  9185.66  1178.37  8913.07  1656.28  9465.06  1676.84  146.264   14.122  150.835   13.846 -4.570786 19.77734 
1 1 1   53    1   15 o  123.961   10.075  6343.80  1005.25  5210.02  1408.95  7519.37  1434.68  110.745   16.143  134.246   13.338 -23.50015 20.94095 
1 1 1   53    1   16 o  191.803   10.703 15188.31  1660.17 14165.87  2355.58 16197.42  2340.17  183.342   15.983  196.645   14.764 -13.30290 21.75867 
1 1 1   53    1   17 o   59.610   15.423  1547.47  752.196  280.851  1009.60  3127.72  1127.70   42.989   17.771   84.648   16.998 -41.65962 24.59148 
1 1 1   53    1   18 o  103.776   12.437  4550.70  1027.10  3487.82  1390.25  5827.97  1524.02   88.081   19.907  115.981   16.662 -27.89948 25.95971 
1 1 1   53    1   19 o  238.202   12.492 23904.12  2407.71 23074.36  3383.92 24754.89  3426.50  229.306   18.328  237.989   17.862 -8.682510 25.59232 
1 1 1   53    1   20 o  217.668   12.497 20178.21  2199.42 20714.24  3103.52 19637.37  3117.42  215.379   17.909  208.980   18.565 6.398987 25.79519 
1 1 1   53    1   21 o  129.629   13.441  7363.49  1394.17  6788.25  1931.63  7989.00  2014.28  118.713   20.797  129.954   19.708 -11.24053 28.65182 
1 1 1   53    3    0 o  734.539   36.618 225041.30 21839.67 220282.00 30822.01 229840.20 30950.29  714.360   53.527  730.559   52.527 -16.19873 74.99470 
1 1 1   53    3    1 o   91.069   11.113  3425.37  804.725  3638.03  1057.06  3132.22  1241.07   93.390   14.403   85.929   18.346 7.461357 23.32401 
1 1 1   53    3    2 o  251.710   14.717 25922.94  2994.76 26987.09  4131.94 24745.32  4346.67  256.014   20.037  244.698   22.116 11.31665 29.84288 
1 1 1   53    3    3 o  437.178   18.781 78161.38  6666.74 76373.03  8198.36 81652.50 11454.62  430.637   23.536  442.675   32.086 -12.03827 39.79242 
1 1 1   53    3    4 o  531.704   19.439 115703.70  8392.14 112110.80 11815.06 119362.10 11922.23  520.408   28.065  537.251   27.421 -16.84302 39.23738 
1 1 1   53    3    5 o  187.569   9.2130 14310.48  1403.14 13512.58  1950.85 15165.63  2019.62  181.595   13.324  192.478   12.999 -10.88255 18.61419 
1 1 1   53    3    6 o  126.387   8.2172  6522.76  838.686  5867.43  1154.80  7254.23  1220.05  119.409   12.077  132.983   11.410 -13.57417 16.61393 
1 1 1   53    3    7 o  523.474   22.010 112608.80  9355.25 111009.90 11525.46 115696.80 16017.33  517.294   27.539  523.185   37.963 -5.890564 46.89997 
1 1 1   53    3    8 o  472.146   16.354 91161.84  6269.70 90027.63  8871.16 92293.77  8862.24  466.852   23.477  473.381   23.057 -6.529449 32.90583 
1 1 1   53    3    9 o  143.312   10.142  8405.58  1172.54  7579.32  1366.95 10706.51  2281.11  135.743   12.544  160.677   17.783 -24.93396 21.76185 
1 1 1   53    3   10 o  299.255   12.288 36551.43  2985.77 36937.79  4231.36 36168.28  4213.73  299.527   17.474  296.353   17.590 3.173553 24.79428 
1 1 1   53    3   11 o  149.536   11.415  9183.59  1375.50 10762.15  2903.90  8726.97  1561.83  159.382   23.113  145.431   13.376 13.95056 26.70492 
1 1 1   53    3   12 o  264.983   11.275 28720.87  2425.85 30655.27  3461.74 26854.39  3400.42  272.371   15.720  254.628   16.537 17.74316 22.81601 
1 1 1   53    3   13 o   35.128   13.646  320.607  557.839  397.222  839.593  260.055  746.409   41.805   16.589   38.190   15.473 3.615063 22.68487 
1 1 1   53    3   14 o  223.056   10.469 20395.37  1896.14 19023.81  2712.37 21706.31  2651.76  213.592   15.751  228.724   14.351 -15.13283 21.30833 
1 1 1   53    3   15 o  136.088   9.9742  7636.50  1094.46  6704.48  1552.30  8557.79  1543.34  126.061   15.492  143.249   13.425 -17.18769 20.49949 
1 1 1   53    3   16 o   26.779   12.319 -449.2084  615.814 -460.4077  825.360 -435.1448  924.902   32.061   14.562   34.545   15.579 -2.484219 21.32555 
1 1 1   53    3   17 o   99.757   11.362  4167.17  903.888  3820.43  1305.92  4486.04  1252.35   93.450   17.862  102.261   15.575 -8.811012 23.69826 
1 1 1   53    3   18 o  123.622   11.449  6401.85  1136.14  5603.01  1570.66  7278.56  1645.43  113.202   17.665  130.114   15.906 -16.91185 23.77045 
1 1 1   53    3   19 f   59.421   16.444  1571.45  820.280  1365.08  1162.85  1775.84  1157.27   57.430   20.154   63.165   20.071 -5.735119 28.44346 
1 1 1   53    3   20 o   56.301   17.723  1419.46  904.045  1019.12  1179.61  1989.30  1407.35   52.409   19.976   65.687   22.205 -13.27868 29.86780 
1 1 1   53    3   21 o  171.997   12.173 12771.98  1689.11 10857.68  2265.41 15168.48  2534.73  152.601   18.673  182.125   17.350 -29.52448 25.48926 
1 1 1   53    5    0 o  668.310   26.466 184009.00 14361.71 187501.30 17467.04 176721.09 25232.60  672.366   31.994  642.281   48.747 30.08466 58.30899 
1 1 1   53    5    1 o  294.595   16.687 35551.04  3975.05 37992.58  5434.84 32742.54  5828.98  303.558   22.204  280.889   25.848 22.66855 34.07506 
1 1 1   53    5    2 o  270.862   15.480 30032.28  3390.34 31769.33  4592.61 27951.93  5025.96  277.768   20.508  259.730   24.107 18.03864 31.64978 
1 1 1   53    5    3 o  279.334   13.566 31803.39  3076.97 34190.35  3774.54 27074.98  5312.50  288.946   16.153  255.130   26.009 33.81651 30.61636 
1 1 1   53    5    4 o  714.447   25.437 210203.59 14755.99 214138.30 20787.10 206206.91 20950.10  716.178   35.747  701.270   36.923 14.90845 51.39178 
1 1 1   53    5    5 o  340.059   13.265 47139.53  3662.64 46978.59  5128.10 47307.13  5233.00  338.289   18.743  339.408   19.066 -1.119080 26.73552 
1 1 1   53    5    6 o  449.280   16.531 82497.09  6030.58 81999.38  8500.61 83001.40  8556.72  445.800   23.568  448.519   23.578 -2.719269 33.33736 
1 1 1   53    5    7 o  287.192   14.149 33660.43  3299.41 34297.52  3983.51 32268.41  5888.29  289.066   17.047  278.228   26.380 10.83890 31.40872 
1 1 1   53    5    8 o   33.062   11.973  366.498  413.598  320.417  492.466  476.810  761.951   33.837   12.905   41.754   16.021 -7.916630 20.57214 
1 1 1   53    5    9 o  544.143   19.218 121610.30  8490.84 125890.00 12032.23 117365.10 11983.65  550.593   26.914  530.498   27.919 20.09424 38.77916 
1 1 1   53    5   10 o  363.924   13.953 54162.75  4123.02 55421.45  5854.08 52923.86  5807.85  366.283   19.757  357.812   20.071 8.470886 28.16359 
1 1 1   53    5   11 o  127.873   8.7101  6693.40  898.966  5484.51  1254.23  7970.54  1289.15  114.914   13.713  139.204   11.509 -24.28979 17.90231 
1 1 1   53    5   12 o  357.487   17.278 52858.19  5015.13 46598.97  9234.83 55476.32  5972.60  324.607   35.623  364.458   20.263 -39.85147 40.98260 
1 1 1   53    5   13 o  318.784   13.309 41825.77  3445.04 43739.44  4923.42 39990.00  4822.19  323.297   18.837  308.843   19.327 14.45453 26.98812 
1 1 1   53    5   14 o  216.959   10.788 19314.79  1900.49 19740.94  2723.92 18910.59  2652.88  217.597   15.519  212.975   15.446 4.621735 21.89548 
1 1 1   53    5   15 o  225.033   10.905 20823.99  1992.47 20243.92  2849.17 21379.18  2787.39  219.703   16.083  226.161   15.268 -6.457626 22.17640 
1 1 1   53    5   16 o  290.475   12.351 34923.65  2913.11 33268.83  4176.33 36491.76  4065.44  279.677   18.495  293.912   17.109 -14.23532 25.19531 
1 1 1   53    5   17 o   82.521   13.051  2900.25  845.377  3314.46  1132.68  2379.38  1270.19   87.238   16.597   73.092   20.547 14.14548 26.41256 
1 1 1   53    5   18 o  123.006   21.363  6812.12  2056.26  6468.78  2330.99  8016.55  4365.83  117.670   25.159  121.342   39.029 -3.672417 46.43513 
1 1 1   53    5   19 o   19.592   9.7052 -1319.0210  578.857 -1429.4890  777.692 -1181.7889  866.793   24.192   11.838   27.625   13.271 -3.433344 17.78378 
1 1 1   53    5   20 o   72.504   16.073  2383.24  921.369  199.624  1146.19  6371.22  1548.97   43.176   18.448  119.498   16.396 -76.32159 24.68175 
1 1 1   53    7    0 o  477.603   36.016 95767.11 13864.03   0.0000   0.0000 95767.11 13864.03  ?   ?   477.603   36.016 0.000000 36.01562 
1 1 1   53    7    1 o  219.218   20.893 19871.70  3673.88   0.0000   0.0000 19871.70  3673.88  ?   ?   219.218   20.893 0.000000 20.89287 
1 1 1   53    7    2 o  354.292   27.802 52137.89  7933.72   0.0000   0.0000 52137.89  7933.72  ?   ?   354.292   27.802 0.000000 27.80216 
1 1 1   53    7    3 o  344.224   19.085 48647.90  5313.38 55114.48  7844.12 43165.18  7222.79  364.586   26.683  322.097   27.893 42.48972 38.60017 
1 1 1   53    7    4 o  422.988   16.742 73115.06  5749.96 78636.10  8031.97 67311.14  8235.16  436.902   22.720  403.421   25.268 33.48111 33.98026 
1 1 1   53    7    5 o  291.255   11.885 34558.32  2810.59 36660.96  3909.97 32310.25  4042.91  299.120   16.159  280.464   17.846 18.65659 24.07453 
1 1 1   53    7    6 f  481.712   21.559 95337.20  8432.42 102298.80 10260.12 80848.09 14801.93  497.198   25.501  434.457   42.504 62.74033 49.56696 
1 1 1   53    7    7 o  473.986   18.546 92073.43  7137.65 101223.80 10088.95 82904.14 10099.37  494.409   25.215  446.272   28.013 48.13702 37.69043 
1 1 1   53    7    8 o  390.915   14.833 62448.46  4708.10 61065.14  6670.41 63821.74  6646.17  384.620   21.444  393.397   20.881 -8.777374 29.93149 
1 1 1   53    7    9 o  431.649   18.611 76537.72  6523.01 75922.41  8057.63 77707.79 11111.37  427.905   23.279  428.925   32.138 -1.020294 39.68291 
1 1 1   53    7   10 o  154.566   8.9648  9764.12  1120.27  9635.17  1567.16  9898.88  1602.03  153.022   12.729  155.097   12.837 -2.075775 18.07747 
1 1 1   53    7   11 o   95.751   8.8273  3769.18  678.569  3552.18  915.387  4033.87  1011.01   92.325   12.535   98.408   12.969 -6.082481 18.03642 
1 1 1   53    7   12 o  197.085   12.146 15987.51  1934.25 15941.99  4042.38 16001.03  2202.78  191.986   26.650  196.762   13.877 -4.775284 30.04663 
1 1 1   53    7   13 o  168.391   9.4104 11631.57  1281.52 10168.12  1812.52 13094.42  1812.15  156.283   14.447  177.994   12.620 -21.71097 19.18302 
1 1 1   53    7   14 o  295.695   12.523 36039.35  3006.66 35563.98  4302.13 36493.22  4203.69  290.743   18.317  294.903   17.636 -4.160187 25.42770 
1 1 1   53    7   15 o  319.686   13.283 42326.97  3447.90 44381.06  4945.93 40384.98  4809.08  323.610   18.905  308.377   19.303 15.23260 27.01901 
1 1 1   53    7   16 o  115.922   10.297  5575.03  959.077  5316.42  1299.82  5884.07  1420.94  111.961   14.649  117.680   15.228 -5.719398 21.13051 
1 1 1   53    7   17 o  210.103   10.793 18304.81  1835.09 18087.57  2605.55 18518.64  2584.99  206.491   15.657  209.134   15.330 -2.642410 21.91199 
1 1 1   53    7   18 o  185.296   10.749 14305.82  1610.29 14858.82  2204.68 13673.45  2357.58  186.840   14.650  178.103   16.490 8.736832 22.05734 
1 1 1   53    7   19 o   86.166   14.131  3237.33  954.399  3522.55  1229.79  2805.42  1513.36   88.357   17.758   77.019   22.675 11.33887 28.80054 
1 1 1   53    7   20 o  161.749   11.212 11115.13  1463.38  9842.22  2002.43 12574.18  2143.85  148.035   16.966  168.466   15.859 -20.43141 23.22386 
1 1 1   53    9    5 o  513.282   24.826 108690.90 10346.76 137249.41 17330.10 92872.39 12897.79  569.808   37.670  470.080   34.021 99.72803 50.75874 
1 1 1   53    9    6 o  190.426   9.8567 14800.72  1518.82 16282.29  2078.27 13102.41  2225.10  199.394   12.906  178.393   15.516 21.00116 20.18195 
1 1 1   53    9    7 o  558.674   17.695 127887.70  8026.69 132534.41 11343.05 123227.20 11359.88  566.286   24.669  545.653   25.640 20.63263 35.58067 
1 1 1   53    9    8 o  550.016   19.737 124387.10  8814.37 129383.90 12484.70 119420.90 12446.19  557.616   27.574  534.427   28.788 23.18915 39.86355 
1 1 1   53    9    9 o  211.575   11.249 18312.66  1925.52 17611.93  2377.94 19647.04  3281.46  206.998   14.235  217.748   18.743 -10.75020 23.53520 
1 1 1   53    9   10 o  348.422   12.688 49668.23  3589.42 46572.99  5108.43 52686.59  5044.59  335.337   18.838  357.649   17.371 -22.31232 25.62464 
1 1 1   53    9   11 o  390.324   14.703 62677.70  4659.75 63442.93  6642.00 61936.01  6538.98  389.483   21.081  384.857   21.005 4.625916 29.75919 
1 1 1   53    9   12 o  231.642   10.827 21978.43  2036.44 22623.31  2902.07 21352.85  2858.33  233.486   15.394  226.735   15.621 6.751709 21.93167 
1 1 1   53    9   13 o  175.678   9.8407 12676.88  1398.08 12356.41  1962.23 13007.30  1992.47  172.374   14.144  176.930   13.983 -4.555969 19.88958 
1 1 1   53    9   14 o  158.706   9.5831 10360.50  1229.12 11686.29  1723.30  8987.69  1753.58  167.783   12.745  146.375   14.965 21.40729 19.65645 
1 1 1   53    9   15 o  210.717   11.122 18347.34  1896.17 19766.30  2680.30 16925.65  2682.88  217.074   15.305  200.196   16.656 16.87779 22.61978 
1 1 1   53    9   16 o  171.271   10.420 12138.32  1442.18 12832.97  1998.39 11383.33  2083.38  174.732   14.208  163.814   15.862 10.91823 21.29499 
1 1 1   53    9   17 o  187.562   11.105 14636.93  1683.76 16364.48  2358.04 12839.82  2405.05  196.508   14.889  172.607   17.398 23.90076 22.89899 
1 1 1   53    9   18 o  120.081   11.038  6054.97  1064.20  7254.08  1449.34  4652.15  1567.63  130.318   13.912  101.461   19.739 28.85722 24.14902 
1 1 1   53    9   19 o   26.419   12.106 -367.3826  586.868 -625.9745  747.151   49.146  948.252   28.357   13.225   38.665   16.656 -10.30715 21.26751 
1 1 1   53    9   20 o  113.571   11.975  5560.98  1087.61  6164.23  1417.58  4697.72  1695.77  117.639   15.196   97.960   21.873 19.67931 26.63339 
1 1 1   53   11    0 o  274.559   24.745 31332.44  5457.10   0.0000   0.0000 31332.44  5457.10  ?   ?   274.559   24.745 0.000000 24.74460 
1 1 1   53   11    1 o  400.116   31.539 67054.02 10163.40   0.0000   0.0000 67054.02 10163.40  ?   ?   400.116   31.539 0.000000 31.53915 
1 1 1   53   11    3 o  643.331   49.775 179975.80 25798.33 179975.80 25798.33   0.0000   0.0000  643.331   49.775  ?   ?  0.000000 49.77502 
1 1 1   53   11    4 o  756.698   58.729 255572.50 35801.40 255572.50 35801.40   0.0000   0.0000  756.698   58.729  ?   ?  0.000000 58.72932 
1 1 1   53   11    6 o  277.238   17.086 31595.95  3827.55   0.0000   0.0000 31595.95  3827.55  ?   ?   277.238   17.086 0.000000 17.08642 
1 1 1   53   11    7 o  290.996   14.082 34602.80  3327.19 39183.30  5294.39 31613.09  4277.35  307.666   21.325  276.742   19.153 30.92343 28.66345 
1 1 1   53   11    8 o  275.386   12.286 30963.65  2747.23 34193.21  3866.70 27671.60  3903.92  288.259   16.590  258.726   18.709 29.53302 25.00565 
1 1 1   53   11    9 o  281.587   11.397 32381.68  2605.77 30762.73  3677.68 34013.80  3692.60  273.054   16.668  287.375   15.887 -14.32120 23.02597 
1 1 1   53   11   10 o  253.416   11.490 26271.11  2364.29 26352.12  3346.46 26190.37  3340.77  252.304   16.425  251.519   16.449 0.7853241 23.24509 
1 1 1   53   11   11 o   75.805   8.6891  2375.69  525.161  1413.64  638.192  4393.48  924.249   57.485   13.839  102.970   11.237 -45.48531 17.82663 
1 1 1   53   11   12 o  321.837   12.270 42587.11  3206.34 40033.22  4581.61 45038.48  4488.72  309.155   18.334  328.733   16.874 -19.57813 24.91656 
1 1 1   53   11   13 o  157.933   12.652 10348.44  1608.89  5947.89  3912.14 11244.21  1765.06  113.461   36.984  164.478   13.331 -51.01742 39.31284 
1 1 1   53   11   14 o  116.318   9.1444  5578.56  856.691  5414.63  1125.64  5804.22  1320.69  113.860   12.375  117.451   14.132 -3.591591 18.78444 
1 1 1   53   11   15 o  189.309   10.058 14785.48  1540.54 14245.57  2137.03 15369.60  2222.81  184.279   14.397  191.445   14.405 -7.166245 20.36580 
1 1 1   53   11   16 o  123.863   9.9158  6363.81  988.895  6294.02  1294.04  6461.77  1533.19  122.170   13.258  122.904   15.724 -0.7339859 20.56742 
1 1 1   53   11   17 o  245.853   11.813 25195.84  2358.07 23990.26  3347.09 26383.88  3322.67  235.630   17.622  247.991   16.597 -12.36127 24.20727 
1 1 1   53   11   18 o   33.928   13.427  291.283  548.662  292.028  629.652  288.932  1118.30   35.596   14.285   44.162   18.515 -8.566425 23.38525 
1 1 1   53   11   19 o   50.349   14.782  1124.71  643.940  447.215  734.917  3364.19  1336.16   39.456   15.563   84.585   19.804 -45.12925 25.18755 
1 1 1   53   11   20 o   70.657   12.803  2215.03  707.467  1833.41  803.400  3532.85  1492.94   62.948   15.756   84.045   21.720 -21.09706 26.83299 
1 1 1   53   13    0 o  418.089   33.135 73641.79 11156.23   0.0000   0.0000 73641.79 11156.23  ?   ?   418.089   33.135 0.000000 33.13465 
1 1 1   53   13    1 o  475.115   36.721 95716.06 14056.29   0.0000   0.0000 95716.06 14056.29  ?   ?   475.115   36.721 0.000000 36.72128 
1 1 1   53   13    2 o  226.574   22.197 21333.35  4031.10   0.0000   0.0000 21333.35  4031.10  ?   ?   226.574   22.197 0.000000 22.19672 
1 1 1   53   13    3 o  156.785   15.438 10145.25  1939.77  9712.13  3032.95 10445.04  2523.32  151.235   25.613  158.234   20.093 -6.998184 32.55356 
1 1 1   53   13    4 f  383.961   21.668 60895.40  6727.60 63540.46  9890.94 58618.13  9177.57  388.550   31.625  373.560   30.524 14.98981 43.95314 
1 1 1   53   13    5 o  723.733   57.233 235891.59 33358.31 235891.59 33358.31   0.0000   0.0000  723.733   57.233  ?   ?  0.000000 57.23279 
1 1 1   53   13    6 o  457.238   22.751 86393.75  8446.54 118064.30 12419.36 59136.71 11521.54  530.941   28.917  370.405   38.889 160.5353 48.46179 
1 1 1   53   13    7 o  254.096   22.498 26922.36  4593.76   0.0000   0.0000 26922.36  4593.76  ?   ?   254.096   22.498 0.000000 22.49809 
1 1 1   53   13    8 o  360.544   19.945 53893.64  5816.34   0.0000   0.0000 53893.64  5816.34  ?   ?   360.544   19.945 0.000000 19.94548 
1 1 1   53   13    9 o  275.051   16.529 31298.14  3674.28   0.0000   0.0000 31298.14  3674.28  ?   ?   275.051   16.529 0.000000 16.52876 
1 1 1   53   13   10 o  188.001   8.5263 14421.91  1301.54 12624.58  1772.10 16527.04  1917.84  174.947   12.559  200.448   11.836 -25.50124 17.25715 
1 1 1   53   13   11 f  118.228   7.5606  5724.50  721.998  4273.52  898.003  8377.21  1214.21  101.501   11.076  142.611   10.561 -41.10962 15.30377 
1 1 1   53   13   12 o  139.061   8.3155  7930.22  934.625  7054.06  1218.08  9184.45  1457.39  130.483   11.619  148.889   12.161 -18.40616 16.81935 
1 1 1   53   13   13 o  121.801   12.541  6187.85  1222.56  9635.42  3306.21  5641.79  1315.82  145.467   29.009  115.777   14.301 29.68997 32.34264 
1 1 1   53   13   14 o   71.502   9.0297  2129.17  512.554  1758.11  611.635  3004.32  939.325   64.197   12.179   83.862   14.308 -19.66474 18.78991 
1 1 1   53   13   15 o   90.362   8.8038  3383.60  637.738  2598.49  774.817  5032.69  1122.94   78.162   12.640  109.301   12.902 -31.13893 18.06173 
1 1 1   53   13   16 o  112.096   9.3912  5215.15  846.892  4788.20  1047.64  6020.31  1438.68  106.527   12.340  118.495   15.311 -11.96774 19.66514 
1 1 1   53   13   17 o   69.529   11.051  2059.79  603.029  1760.30  687.908  3053.71  1253.18   63.434   13.752   82.064   19.156 -18.62991 23.58124 
1 1 1   53   13   18 o  111.266   10.240  5209.98  914.720  5921.82  1119.59  3780.89  1586.35  118.004   11.845   89.164   22.038 28.84070 25.01918 
1 1 1   53   13   19 o  156.282   10.343 10330.01  1305.10  9582.53  1698.95 11406.09  2038.47  147.817   14.336  160.043   15.897 -12.22617 21.40611 
1 1 1   53   15    0 o  300.377   26.739 37765.74  6453.36   0.0000   0.0000 37765.74  6453.36  ?   ?   300.377   26.739 0.000000 26.73907 
1 1 1   53   15    1 o  186.850   21.702 14576.29  3231.27   0.0000   0.0000 14576.29  3231.27  ?   ?   186.850   21.702 0.000000 21.70239 
1 1 1   53   15    2 o  588.344   45.117 150641.50 21389.00   0.0000   0.0000 150641.50 21389.00  ?   ?   588.344   45.117 0.000000 45.11719 
1 1 1   53   15    3 o  328.856   27.591 45319.52  7299.16   0.0000   0.0000 45319.52  7299.16  ?   ?   328.856   27.591 0.000000 27.59060 
1 1 1   53   15    4 o  488.792   26.951 99748.13 10654.86 97206.88 15536.65 102004.50 14639.80  474.246   40.743  488.307   37.204 -14.06125 55.17329 
1 1 1   53   15    5 o  344.684   20.751 49185.75  5780.69 49308.66  8682.67 49087.88  7747.30  340.777   31.745  341.581   28.185 -0.8045654 42.45121 
1 1 1   53   15    6 o  364.512   16.455 54557.10  4870.24 60331.35  9188.99 52301.43  5743.26  377.224   30.255  355.416   19.982 21.80835 36.25844 
1 1 1   53   15    7 o  423.112   22.154 74621.45  7584.55 89150.44 11451.10 63266.02 10123.51  456.999   31.044  383.552   32.822 73.44690 45.17788 
1 1 1   53   15    8 o   96.846   15.670  3957.24  1190.16  7366.50  2943.23  3290.79  1301.30  129.232   28.787   87.498   18.871 41.73363 34.42078 
1 1 1   53   15    9 o  104.245   17.149  4614.50  1401.07   0.0000   0.0000  4614.50  1401.07  ?   ?   104.245   17.149 0.000000 17.14907 
1 1 1   53   15   10 o   40.606   17.560 -94.7900  1062.24   0.0000   0.0000 -94.7900  1062.24  ?   ?    40.606   17.560 0.000000 17.55960 
1 1 1   53   15   11 o   89.090   14.834  3371.80  1035.34   0.0000   0.0000  3371.80  1035.34  ?   ?    89.090   14.834 0.000000 14.83424 
1 1 1   53   15   12 o   62.000   17.194  1659.81  895.789 -2174.2510  3122.59  2003.63  935.092   58.705   27.264   67.898   17.000 -9.192696 32.12940 
1 1 1   53   15   13 o  136.239   12.904  7754.66  1410.49 12431.16  4198.56  7159.73  1497.53  162.328   32.979  130.413   14.381 31.91530 35.97848 
1 1 1   53   15   14 o   49.076   9.9607  1026.39  383.352  1151.20  425.354  486.430  884.738   51.952   10.446   43.339   17.082 8.613194 20.02272 
1 1 1   53   15   15 o   67.260   9.0139  1893.31  479.889  1788.15  552.715  2215.37  967.237   64.899   10.873   70.826   17.029 -5.927429 20.20416 
1 1 1   53   15   16 o  109.363   43.648  6592.36  5843.70  1558.63 12332.78  8049.74  6635.93  105.874   50.649  116.136   46.457 -10.26244 68.72828 
1 1 1   53   15   17 o   45.813   10.403  908.334  378.132  1100.85  399.231 -769.9591  1178.76   50.597   10.072   36.598   16.910 13.99907 19.68205 
1 1 1   53   15   18 o   97.608   9.8411  4023.38  769.305  4534.75  890.658  2520.99  1526.64  103.297   10.778   72.193   23.064 31.10398 25.45820 
1 1 1   53   15   19 o  133.443   9.9266  7557.21  1067.86  7007.33  1321.15  8593.46  1813.64  126.507   13.049  137.279   16.609 -10.77195 21.12157 
1 1 1   53   17    0 o  172.239   24.291 12539.40  3302.90   0.0000   0.0000 12539.40  3302.90  ?   ?   172.239   24.291 0.000000 24.29148 
1 1 1   53   17    1 o  202.751   23.671 17261.49  3823.52   0.0000   0.0000 17261.49  3823.52  ?   ?   202.751   23.671 0.000000 23.67089 
1 1 1   53   17    2 o  228.247   23.823 21836.05  4350.06   0.0000   0.0000 21836.05  4350.06  ?   ?   228.247   23.823 0.000000 23.82318 
1 1 1   53   17    3 o  224.431   22.868 21085.02  4108.96   0.0000   0.0000 21085.02  4108.96  ?   ?   224.431   22.868 0.000000 22.86763 
1 1 1   53   17    4 o  315.283   20.264 41239.37  5160.01 41090.97  7847.57 41352.39  6848.70  310.050   31.614  313.060   27.213 -3.010162 41.71382 
1 1 1   53   17    5 o  393.011   22.701 64471.55  7213.31 70152.91 10786.35 59875.14  9701.93  403.896   33.184  373.508   32.309 30.38745 46.31409 
1 1 1   53   17    6 o  244.613   17.963 24855.94  3542.75 26893.52  5629.09 23519.48  4558.88  250.518   28.161  235.763   24.156 14.75491 37.10196 
1 1 1   53   17    7 o  174.796   11.340 12559.89  1600.81 15729.73  3722.72 11840.79  1773.11  191.752   24.468  169.364   12.993 22.38802 27.70348 
1 1 1   53   17    8 o  144.590   11.684  8629.90  1359.98  9256.08  3471.39  8516.37  1478.13  143.574   30.707  143.387   12.832 0.1867523 33.27998 
1 1 1   53   17    9 o  314.874   17.742 41472.80  4517.55 64140.55  7817.73 30108.91  5535.29  386.389   25.053  263.498   26.220 122.8904 36.26500 
1 1 1   53   17   10 o   92.740   17.794  3710.31  1291.17  6740.35  3454.52  3218.28  1392.06  120.241   33.914   85.689   20.316 34.55157 39.53366 
1 1 1   53   17   11 o   29.256   13.854 -1009.2520  876.090   0.0000   0.0000 -1009.2520  876.090  ?   ?    29.256   13.854 0.000000 13.85356 
1 1 1   53   17   12 o   68.254   16.862  2032.82  929.046   0.0000   0.0000  2032.82  929.046  ?   ?    68.254   16.862 0.000000 16.86215 
1 1 1   53   17   13 o  140.701   14.499  8355.86  1632.76   0.0000   0.0000  8355.86  1632.76  ?   ?   140.701   14.499 0.000000 14.49945 
1 1 1   53   17   14 o  170.951   14.147 12329.86  1946.04 15056.86  5737.28 11975.33  2068.68  166.710   42.312  167.907   15.343 -1.197556 45.00819 
1 1 1   53   17   15 o  158.455   14.666 10697.71  1865.51  4642.89  6084.66 11325.91  1959.90  101.523   42.908  162.908   14.985 -61.38447 45.44900 
1 1 1   53   17   16 o  122.511   15.671  6531.71  1523.12  9048.18  6102.65  6364.54  1572.90  117.521   45.278  120.481   16.513 -2.960075 48.19552 
1 1 1   53   17   17 o  120.997   16.904  6536.92  1615.36 17323.94  6650.54  5860.62  1665.23  152.131   48.090  113.327   18.753 38.80389 51.61728 
1 1 1   53   17   18 o  115.117   19.221  6224.45  1733.22   0.0000   0.0000  6224.45  1733.22  ?   ?   115.117   19.221 0.000000 19.22050 
1 1 1   53   19    0 o  223.000   26.023 21100.33  4623.25   0.0000   0.0000 21100.33  4623.25  ?   ?   223.000   26.023 0.000000 26.02254 
1 1 1   53   19    1 o  191.981   24.748 15640.53  3767.91   0.0000   0.0000 15640.53  3767.91  ?   ?   191.981   24.748 0.000000 24.74778 
1 1 1   53   19    2 o  465.175   38.085 94815.92 14258.70   0.0000   0.0000 94815.92 14258.70  ?   ?   465.175   38.085 0.000000 38.08455 
1 1 1   53   19    3 o  354.600   30.579 53982.94  8718.27   0.0000   0.0000 53982.94  8718.27  ?   ?   354.600   30.579 0.000000 30.57881 
1 1 1   53   19    4 o  106.768   20.178  4886.63  1685.16  2716.96  2959.06  5928.06  2050.08   86.758   31.932  117.291   22.342 -30.53399 38.97177 
1 1 1   53   19    5 o  526.570   30.264 119819.80 12885.24 116348.90 18928.31 122817.30 17590.14  497.770   47.405  518.814   42.120 -21.04388 63.41362 
1 1 1   53   19    6 o  234.179   11.779 22552.47  2232.52 33703.43  5860.05 20659.22  2414.62  279.991   26.076  223.694   13.355 56.29741 29.29701 
1 1 1   53   19    7 o  138.855   11.220  7961.08  1254.16 13383.79  3757.27  7281.11  1330.47  174.378   27.443  132.476   12.517 41.90236 30.16309 
1 1 1   53   19    8 f  179.782   12.504 13375.96  1813.96 15307.24  5349.91 13125.09  1928.18  179.997   37.808  177.816   13.454 2.181107 40.13051 
1 1 1   53   19    9 o  153.645   12.712  9807.69  1571.62 15676.46  5128.90  9199.53  1651.05  182.485   35.893  148.452   13.858 34.03328 38.47562 
1 1 1   53   19   10 o  111.928   13.172  5254.55  1174.17 11003.28  4822.78  4892.32  1210.60  149.093   39.287  107.668   14.194 41.42547 41.77208 
1 1 1   53   19   11 o   66.984   19.985  1948.59  1169.40  3000.38  4728.29  1880.06  1206.89   94.772   38.738   66.093   20.424 28.67944 43.79206 
1 1 1   53   19   12 o  184.168   17.978 14531.99  2654.10 16428.70  6020.70 14074.49  2956.92  176.679   42.489  179.762   20.632 -3.083084 47.23365 
1 1 1   53   19   13 o  187.565   21.170 15493.86  3167.76   0.0000   0.0000 15493.86  3167.76  ?   ?   187.565   21.170 0.000000 21.17039 
1 1 1   53   19   14 o  166.282   15.676 11848.12  2091.50   0.0000   0.0000 11848.12  2091.50  ?   ?   166.282   15.676 0.000000 15.67585 
1 1 1   53   19   15 o   32.674   15.143 -707.0839  956.093  4591.94  5225.42 -890.6284  972.510   96.380   40.184   31.781   14.908 64.59907 42.86032 
1 1 1   53   19   16 o   58.716   19.666  1525.22  1103.85  3766.56  6094.91  1449.21  1122.41   90.309   40.419   57.720   19.826 32.58957 45.01982 
1 1 1   53   19   17 o   32.108   15.262 -1126.1680  1083.07   0.0000   0.0000 -1126.1680  1083.07  ?   ?    32.108   15.262 0.000000 15.26170 
1 1 1   53   21    0 o  255.382   27.671 28138.75  5646.18   0.0000   0.0000 28138.75  5646.18  ?   ?   255.382   27.671 0.000000 27.67122 
1 1 1   53   21    1 o  215.208   26.559 19980.73  4542.48   0.0000   0.0000 19980.73  4542.48  ?   ?   215.208   26.559 0.000000 26.55885 
1 1 1   53   21    2 o   88.976   25.106  3458.88  1892.73   0.0000   0.0000  3458.88  1892.73  ?   ?    88.976   25.106 0.000000 25.10582 
1 1 1   53   21    3 o  253.692   26.447 27790.46  5367.63   0.0000   0.0000 27790.46  5367.63  ?   ?   253.692   26.447 0.000000 26.44654 
1 1 1   53   21    4 o  121.171   23.520  6421.52  2230.61   0.0000   0.0000  6421.52  2230.61  ?   ?   121.171   23.520 0.000000 23.52003 
1 1 1   53   21    5 o  226.443   12.900 21194.19  2361.99 28567.93  6060.90 19873.78  2564.77  253.881   29.980  218.732   14.524 35.14932 33.31265 
1 1 1   53   21    6 o   70.208   12.958  2095.37  711.461  1487.86  3873.38  2116.58  723.775   83.465   34.681   70.536   13.120 12.92906 37.07991 
1 1 1   53   21    7 o  118.031   11.913  5795.33  1126.12  5943.68  4512.58  5785.48  1162.91  113.673   39.713  117.829   12.338 -4.155815 41.58556 
1 1 1   53   21    8 o   45.749   15.203  832.297  659.896  2941.89  4245.06  780.057  668.017   93.028   37.177   44.873   15.297 48.15471 40.20131 
1 1 1   53   21    9 o  110.900   23.199  5495.22  2021.85  4475.06  5370.44  5663.69  2182.43  105.351   41.907  112.050   24.657 -6.698990 48.62287 
1 1 1   53   21   10 o   33.972   14.565  -9.4875  718.722 -3048.9690  4977.47   55.235  726.334   72.214   33.827   34.905   14.792 37.30898 36.91983 
1 1 1   53   21   11 o   81.827   17.570  2944.34  1132.47  3161.27  4806.91  2931.59  1165.27   94.199   38.844   81.501   18.082 12.69820 42.84659 
1 1 1   53   21   12 o  162.869   14.238 11222.79  1864.01 18751.62  7132.91 10670.96  1931.11  178.188   48.155  158.340   15.207 19.84767 50.49942 
1 1 1   53   21   13 o   25.847   12.621 -1554.9570  870.662 -5913.6782  6195.85 -1467.1520  879.388   71.005   34.445   26.483   12.877 44.52224 36.77273 
1 1 1   53   21   14 f  175.341   19.929 13774.38  2786.84 15108.31  6947.23 13518.56  3042.36  146.373   49.335  171.695   22.353 -25.32237 54.16277 
1 1 1   53   21   15 o  195.523   16.965 16897.45  2666.71   0.0000   0.0000 16897.45  2666.71  ?   ?   195.523   16.965 0.000000 16.96545 
1 1 1   53   21   16 o  105.572   18.880  5195.08  1559.01   0.0000   0.0000  5195.08  1559.01  ?   ?   105.572   18.880 0.000000 18.88012 
1 1 1   53   23    0 o   99.116   13.901  4137.75  1087.95   0.0000   0.0000  4137.75  1087.95  ?   ?    99.116   13.901 0.000000 13.90068 
1 1 1   53   23    1 o  158.812   12.552 10459.50  1605.35   0.0000   0.0000 10459.50  1605.35  ?   ?   158.812   12.552 0.000000 12.55168 
1 1 1   53   23    2 o   91.655   11.337  3504.81  825.724   0.0000   0.0000  3504.81  825.724  ?   ?    91.655   11.337 0.000000 11.33714 
1 1 1   53   23    3 o  123.122   11.682  6294.75  1153.90   0.0000   0.0000  6294.75  1153.90  ?   ?   123.122   11.682 0.000000 11.68215 
1 1 1   53   23    4 o   82.601   11.552  2861.69  753.592   0.0000   0.0000  2861.69  753.592  ?   ?    82.601   11.552 0.000000 11.55205 
1 1 1   53   23    5 o  149.134   11.746  9224.17  1410.79 18916.04  5445.63  8526.88  1460.66  200.883   34.637  143.093   12.704 57.78990 36.89338 
1 1 1   53   23    6 o  135.397   11.634  7616.13  1266.61  8038.73  5209.71  7589.58  1305.79  126.600   42.722  135.053   12.034 -8.453255 44.38474 
1 1 1   53   23    7 o  104.191   12.722  4560.73  1053.89  7887.93  5121.59  4413.62  1076.94  124.757   42.358  102.322   13.275 22.43459 44.38968 
1 1 1   53   23    8 o   22.974   10.919 -682.1550  554.100 -1664.5590  4599.83 -667.6896  558.164   73.554   33.774   23.210   11.010 50.34437 35.52306 
1 1 1   53   23    9 o  159.041   13.730 10631.15  1755.69 19045.37  6767.94 10024.06  1817.93  187.205   45.066  154.012   14.716 33.19312 47.40840 
1 1 1   53   23   10 o   79.898   18.351  2835.09  1165.44 -3504.7190  5414.51  3143.08  1193.41   72.870   34.487   84.320   17.980 -11.44926 38.89260 
1 1 1   53   23   11 o   50.355   18.804  889.264  1033.28 -2324.2810  6666.24  968.373  1045.93   82.261   38.727   51.542   18.982 30.71937 43.12881 
1 1 1   53   23   12 o  133.768   15.846  7739.47  1687.68 10162.62  8037.38  7627.70  1726.16  122.064   50.269  132.510   16.393 -10.44596 52.87477 
1 1 1   53   23   13 o  334.704   17.979 49242.54  4868.29 70285.75 13273.75 45972.02  5232.94  322.419   52.511  320.149   20.235 2.270142 56.27428 
1 1 1   53   23   14 o  119.416   18.615  6488.71  1746.12   0.0000   0.0000  6488.71  1746.12  ?   ?   119.416   18.615 0.000000 18.61520 
1 1 1   53   23   15 o   25.618   12.850 -3098.7600  1158.61   0.0000   0.0000 -3098.7600  1158.61  ?   ?    25.618   12.850 0.000000 12.84991 
1 1 1   53   25    0 o   44.489   16.415  672.486  782.739   0.0000   0.0000  672.486  782.739  ?   ?    44.489   16.415 0.000000 16.41526 
1 1 1   53   25    1 o   52.727   9.5015  1175.48  391.822   0.0000   0.0000  1175.48  391.822  ?   ?    52.727   9.5015 0.000000 9.501537 
1 1 1   53   25    2 o  297.002   14.792 36815.05  3567.23   0.0000   0.0000 36815.05  3567.23  ?   ?   297.002   14.792 0.000000 14.79223 
1 1 1   53   25    3 o  100.816   10.719  4233.17  864.012   0.0000   0.0000  4233.17  864.012  ?   ?   100.816   10.719 0.000000 10.71932 
1 1 1   53   25    4 o   75.622   11.675  2416.35  693.780   0.0000   0.0000  2416.35  693.780  ?   ?    75.622   11.675 0.000000 11.67472 
1 1 1   53   25    5 o  134.240   11.764  7511.74  1269.35 18928.30  5371.06  6836.37  1306.36  198.282   34.621  127.717   12.768 70.56524 36.90010 
1 1 1   53   25    6 o   88.211   14.171  3326.53  980.656  2403.85  5688.93  3354.79  995.559   95.061   40.872   88.541   14.338 6.519241 43.31360 
1 1 1   53   25    7 o   87.026   15.190  3268.55  1034.33 -481.7564  5861.96  3389.07  1050.81   84.883   38.653   88.670   15.139 -3.786255 41.51177 
1 1 1   53   25    8 o   77.510   27.574  2579.79  2183.12  8106.00  6245.99  1810.72  2330.09  120.570   45.964   71.488   27.856 49.08234 53.74567 
1 1 1   53   25    9 o   40.096   16.470  281.304  859.962 -6718.5259  6288.86  414.686  868.117   70.684   34.384   41.883   16.786 28.80193 38.26228 
1 1 1   53   25   10 o  156.736   14.745 10498.75  1854.49 21993.74  8519.95  9927.05  1900.05  177.329   54.178  151.914   15.627 25.41524 56.38688 
1 1 1   53   25   11 o  116.352   16.158  5919.31  1485.35 14616.67  7484.14  5562.68  1515.50  140.534   50.925  112.231   17.177 28.30244 53.74372 
1 1 1   53   25   12 o   42.365   17.899  225.541  1058.23  8175.66  7299.52   54.865  1069.53  107.623   46.286   40.907   17.655 66.71599 49.53853 
1 1 1   53   25   13 o   38.049   17.014 -256.2199  1077.46   0.0000   0.0000 -256.2199  1077.46  ?   ?    38.049   17.014 0.000000 17.01420 
1 1 1   53   25   14 f   96.032   21.923  4559.25  1671.86   0.0000   0.0000  4559.25  1671.86  ?   ?    96.032   21.923 0.000000 21.92337 
1 1 1   53   27    0 o  174.940   17.826 13174.44  2496.79   0.0000   0.0000 13174.44  2496.79  ?   ?   174.940   17.826 0.000000 17.82648 
1 1 1   53   27    1 o   80.534   20.861  2918.81  1375.11   0.0000   0.0000  2918.81  1375.11  ?   ?    80.534   20.861 0.000000 20.86144 
1 1 1   53   27    2 o   70.219   9.6831  2068.43  537.400   0.0000   0.0000  2068.43  537.400  ?   ?    70.219   9.6831 0.000000 9.683082 
1 1 1   53   27    3 o  250.162   12.978 26172.99  2627.07   0.0000   0.0000 26172.99  2627.07  ?   ?   250.162   12.978 0.000000 12.97795 
1 1 1   53   27    4 f  102.484   12.107  4425.12  987.974   0.0000   0.0000  4425.12  987.974  ?   ?   102.484   12.107 0.000000 12.10653 
1 1 1   53   27    5 o   35.097   13.676  333.581  561.650   0.0000   0.0000  333.581  561.650  ?   ?    35.097   13.676 0.000000 13.67594 
1 1 1   53   27    6 o  186.783   13.402 14702.46  2019.04 20432.68  8548.43 14363.91  2077.83  173.672   54.471  184.310   13.989 -10.63780 56.23820 
1 1 1   53   27    7 o   84.685   27.887  3373.62  2222.19  3413.54  7154.22  3369.36  2337.83   99.285   44.158   84.751   28.619 14.53350 52.62118 
1 1 1   53   27    8 o  169.434   14.232 12234.67  1939.80 14168.79  8779.97 12135.41  1988.95  135.864   53.729  168.486   14.685 -32.62216 55.69987 
1 1 1   53   27    9 o  162.719   14.451 11354.58  1889.45 16105.53  8051.51 11077.70  1943.73  143.834   52.713  160.316   15.110 -16.48247 54.83575 
1 1 1   53   27   10 o   65.959   19.340  1994.08  1102.96  5927.65  8652.10  1929.10  1112.03  101.294   46.441   64.962   19.513 36.33161 50.37329 
1 1 1   53   27   11 o   38.396   16.738 -25.0632  980.993   0.0000   0.0000 -25.0632  980.993  ?   ?    38.396   16.738 0.000000 16.73789 
1 1 1   53   27   12 o   79.801   22.135  3147.07  1484.51   0.0000   0.0000  3147.07  1484.51  ?   ?    79.801   22.135 0.000000 22.13507 
1 1 1   53   27   13 o   79.440   23.856  3303.36  1662.35   0.0000   0.0000  3303.36  1662.35  ?   ?    79.440   23.856 0.000000 23.85629 
1 1 1   53   29    0 o  216.171   20.249 20700.56  3512.71   0.0000   0.0000 20700.56  3512.71  ?   ?   216.171   20.249 0.000000 20.24862 
1 1 1   53   29    1 o   42.754   18.180  141.946  1103.32   0.0000   0.0000  141.946  1103.32  ?   ?    42.754   18.180 0.000000 18.17990 
1 1 1   53   29    2 o   37.083   10.390  586.974  325.374   0.0000   0.0000  586.974  325.374  ?   ?    37.083   10.390 0.000000 10.39026 
1 1 1   53   29    3 o  178.070   10.927 13240.80  1572.24   0.0000   0.0000 13240.80  1572.24  ?   ?   178.070   10.927 0.000000 10.92680 
1 1 1   53   29    4 o  120.988   29.299  7261.04  2847.65   0.0000   0.0000  7261.04  2847.65  ?   ?   120.988   29.299 0.000000 29.29894 
1 1 1   53   29    5 o  173.214   24.251 13948.05  3317.31   0.0000   0.0000 13948.05  3317.31  ?   ?   173.214   24.251 0.000000 24.25136 
1 1 1   53   29    6 o  135.755   13.109  7851.58  1426.99   0.0000   0.0000  7851.58  1426.99  ?   ?   135.755   13.109 0.000000 13.10877 
1 1 1   53   29    7 o  129.478   14.517  7248.46  1499.94 17080.51  9633.50  7004.18  1518.46  134.785   55.216  126.988   15.017 7.796829 57.22160 
1 1 1   53   29    8 o   39.104   16.624  140.143  922.115   0.0000   0.0000  140.143  922.115  ?   ?    39.104   16.624 0.000000 16.62370 
1 1 1   53   29    9 o   57.229   20.387  1408.33  1193.83   0.0000   0.0000  1408.33  1193.83  ?   ?    57.229   20.387 0.000000 20.38719 
1 1 1   53   29   10 o   54.965   20.601  1242.49  1242.42   0.0000   0.0000  1242.49  1242.42  ?   ?    54.965   20.601 0.000000 20.60135 
1 1 1   53   29   11 o   54.071   20.221  1243.46  1195.72   0.0000   0.0000  1243.46  1195.72  ?   ?    54.071   20.221 0.000000 20.22139 
1 1 1   53   29   12 o   56.226   21.830  1392.36  1427.06   0.0000   0.0000  1392.36  1427.06  ?   ?    56.226   21.830 0.000000 21.82999 
1 1 1   53   31    0 o  204.662   22.559 19460.87  3686.59   0.0000   0.0000 19460.87  3686.59  ?   ?   204.662   22.559 0.000000 22.55925 
1 1 1   53   31    1 o   51.847   21.757  526.594  1546.58   0.0000   0.0000  526.594  1546.58  ?   ?    51.847   21.757 0.000000 21.75701 
1 1 1   53   31    2 o   37.152   10.573  592.406  334.204   0.0000   0.0000  592.406  334.204  ?   ?    37.152   10.573 0.000000 10.57299 
1 1 1   53   31    3 o   39.389   11.781  663.718  406.028   0.0000   0.0000  663.718  406.028  ?   ?    39.389   11.781 0.000000 11.78149 
1 1 1   53   31    4 o   61.493   12.610  1657.18  608.485   0.0000   0.0000  1657.18  608.485  ?   ?    61.493   12.610 0.000000 12.60985 
1 1 1   53   31    5 o   72.203   14.364  2314.47  812.503   0.0000   0.0000  2314.47  812.503  ?   ?    72.203   14.364 0.000000 14.36434 
1 1 1   53   31    6 o  175.710   13.908 13384.02  1968.03   0.0000   0.0000 13384.02  1968.03  ?   ?   175.710   13.908 0.000000 13.90784 
1 1 1   53   31    7 o  159.057   15.507 11216.72  1977.28   0.0000   0.0000 11216.72  1977.28  ?   ?   159.057   15.507 0.000000 15.50731 
1 1 1   53   31    8 o   86.422   18.853  3547.07  1285.71   0.0000   0.0000  3547.07  1285.71  ?   ?    86.422   18.853 0.000000 18.85287 
1 1 1   53   31    9 o   22.653   11.349 -2341.3679  890.414   0.0000   0.0000 -2341.3679  890.414  ?   ?    22.653   11.349 0.000000 11.34864 
1 1 1   53   31   10 o   79.543   22.444  3331.34  1512.65   0.0000   0.0000  3331.34  1512.65  ?   ?    79.543   22.444 0.000000 22.44388 
1 1 1   53   33    0 o   60.785   24.816  1368.66  1937.67   0.0000   0.0000  1368.66  1937.67  ?   ?    60.785   24.816 0.000000 24.81650 
1 1 1   53   33    1 o   45.926   20.643 -224.2371  1608.21   0.0000   0.0000 -224.2371  1608.21  ?   ?    45.926   20.643 0.000000 20.64329 
1 1 1   53   33    2 o   33.769   11.263  465.401  362.050   0.0000   0.0000  465.401  362.050  ?   ?    33.769   11.263 0.000000 11.26272 
1 1 1   53   33    3 o   40.975   11.857  736.292  416.997   0.0000   0.0000  736.292  416.997  ?   ?    40.975   11.857 0.000000 11.85678 
1 1 1   53   33    4 o   54.269   12.610  1317.36  545.047   0.0000   0.0000  1317.36  545.047  ?   ?    54.269   12.610 0.000000 12.60968 
1 1 1   53   33    5 f   65.826   15.079  1992.61  788.614   0.0000   0.0000  1992.61  788.614  ?   ?    65.826   15.079 0.000000 15.07853 
1 1 1   53   33    6 o  112.295   13.894  5629.19  1239.82   0.0000   0.0000  5629.19  1239.82  ?   ?   112.295   13.894 0.000000 13.89412 
1 1 1   53   33    7 o   65.459   18.016  2090.55  987.732   0.0000   0.0000  2090.55  987.732  ?   ?    65.459   18.016 0.000000 18.01589 
1 1 1   53   33    8 o   33.716   15.177 -197.9563  873.141   0.0000   0.0000 -197.9563  873.141  ?   ?    33.716   15.177 0.000000 15.17750 
1 1 1   53   35    0 o   77.888   37.068  5110.67  6428.68   0.0000   0.0000  5110.67  6428.68  ?   ?    77.888   37.068 0.000000 37.06799 
1 1 1   53   35    1 o   43.347   20.857 -1775.7740  2160.94   0.0000   0.0000 -1775.7740  2160.94  ?   ?    43.347   20.857 0.000000 20.85728 
1 1 1   53   35    2 o   96.854   9.8917  4042.89  766.990   0.0000   0.0000  4042.89  766.990  ?   ?    96.854   9.8917 0.000000 9.891731 
1 1 1   53   35    3 o   81.013   10.852  2877.02  695.890   0.0000   0.0000  2877.02  695.890  ?   ?    81.013   10.852 0.000000 10.85177 
1 1 1   53   35    4 o   64.423   12.185  1874.73  614.046   0.0000   0.0000  1874.73  614.046  ?   ?    64.423   12.185 0.000000 12.18512 
1 1 1   54    0    0 o  750.313   54.787 239909.20 32969.04   0.0000   0.0000 239909.20 32969.04  750.313   54.787  750.313   54.787 0.000000 0.000000 
1 1 1   54    0    1 o  291.012   24.077 35311.17  5599.69   0.0000   0.0000 35311.17  5599.69  291.012   24.077  291.012   24.077 0.000000 0.000000 
1 1 1   54    0    2 o   84.452   19.090  3311.80  1141.78   0.0000   0.0000  3311.80  1141.78   84.452   19.090   84.452   19.090 0.000000 0.000000 
1 1 1   54    0    3 o   75.621   14.705  2573.36  804.940  3269.19  1493.73  2288.61  955.549   79.079   26.167   67.581   20.021 0.000000 0.000000 
1 1 1   54    0    4 o  227.684   15.191 21391.06  2779.71 19131.78  4332.85 22971.34  3623.72  211.406   26.346  234.947   19.295 0.000000 0.000000 
1 1 1   54    0    5 o  251.007   20.651 26250.14  4143.32   0.0000   0.0000 26250.14  4143.32  251.007   20.651  251.007   20.651 0.000000 0.000000 
1 1 1   54    0    6 o   49.782   16.441  1291.04  590.503  2899.95  1258.28  836.622  668.715   75.322   23.471   37.335   18.418 0.000000 0.000000 
1 1 1   54    0    7 o  173.982   12.559 12513.26  1752.88 14656.29  2947.90 11341.11  2180.17  186.208   20.089  164.244   16.747 0.000000 0.000000 
1 1 1   54    0    8 o  748.933   36.068 235016.00 21817.18 254982.80 31292.96 216131.30 30433.29  769.045   50.617  704.473   53.931 0.000000 0.000000 
1 1 1   54    0    9 o  635.320   30.080 168247.50 15437.57 190837.50 22283.35 147399.20 21407.05  669.415   41.358  584.195   45.776 0.000000 0.000000 
1 1 1   54    0   10 o   86.500   29.605  4000.48  1867.58  4000.48  1867.58   0.0000   0.0000   86.500   29.605   86.500   29.605 0.000000 0.000000 
1 1 1   54    0   11 o  229.707   13.601 21786.28  2516.42 30617.30  4064.92 16299.10  3204.21  271.063   18.672  195.754   20.688 0.000000 0.000000 
1 1 1   54    0   12 o  635.052   33.224 173643.91 17024.60 176152.20 24601.77 171339.00 23583.35  618.400   49.736  612.047   48.140 0.000000 0.000000 
1 1 1   54    0   13 o  182.916   14.261 13994.15  2088.52 14426.07  3526.14 13760.74  2592.11  180.191   25.592  179.690   18.194 0.000000 0.000000 
1 1 1   54    0   14 o  224.165   15.581 21055.14  2804.50 21642.83  4599.35 20707.30  3538.41  220.970   26.664  219.951   20.205 0.000000 0.000000 
1 1 1   54    0   15 o  291.031   18.563 35849.90  4345.67 34438.29  6850.36 36800.52  5621.62  274.652   31.832  290.848   24.189 0.000000 0.000000 
1 1 1   54    0   16 o   19.229   13.572 -984.7250  850.566 -3291.1040  1901.66 -407.9284  950.995   25.269   18.231   24.303   16.428 0.000000 0.000000 
1 1 1   54    0   17 o  146.604   16.155  9324.45  1863.43  8378.66  3966.46  9592.32  2110.88  112.311   44.878  147.405   18.413 0.000000 0.000000 
1 1 1   54    0   18 o   18.260   12.873 -839.4522  757.466 -10614.1104  3062.75 -202.6358  781.751   24.279   18.013   23.009   15.350 0.000000 0.000000 
1 1 1   54    0   19 o   82.495   25.940  3784.03  1526.00  5852.59  4059.00  3443.53  1646.81   80.160   43.787   74.633   28.705 0.000000 0.000000 
1 1 1   54    0   20 o  185.278   17.918 15573.67  2637.67 21992.25  5888.52 13962.55  2950.20  181.904   46.107  170.507   22.378 0.000000 0.000000 
1 1 1   54    2    0 o  832.261   41.521 291339.91 28058.48 278878.50 39628.89 303866.59 39732.70  795.808   61.814  833.625   59.083 -37.81683 85.50874 
1 1 1   54    2    1 o  457.888   23.688 86332.60  8776.77 86518.02 12366.51 86144.41 12458.46  455.139   33.703  454.022   34.043 1.116394 47.90362 
1 1 1   54    2    2 o   38.357   12.072  590.719  419.491  238.281  538.366  1135.39  669.274   33.485   13.285   52.186   14.998 -18.70138 20.03564 
1 1 1   54    2    3 o  440.229   22.606 79737.45  8053.45 80213.18 11290.87 79244.75 11490.35  438.684   31.917  435.729   32.716 2.954742 45.70610 
1 1 1   54    2    4 o  236.716   12.349 22886.72  2365.25 27651.41  3815.81 19913.74  3014.16  259.408   18.232  220.133   16.995 39.27502 24.92445 
1 1 1   54    2    5 o  113.962   8.4762  5310.35  778.720  6245.42  1070.80  4260.70  1134.51  123.397   10.796  101.238   14.191 22.15898 17.83102 
1 1 1   54    2    6 o  257.020   11.162 26899.74  2329.41 27771.85  3269.94 26001.18  3319.18  260.330   15.540  251.742   16.326 8.588593 22.53997 
1 1 1   54    2    7 o  323.640   14.148 42743.72  3717.93 43795.39  4625.24 40823.32  6250.16  326.697   17.500  313.705   24.738 12.99164 30.30221 
1 1 1   54    2    8 o  264.950   11.068 28596.80  2381.05 26792.48  3365.73 30404.55  3368.92  255.439   16.313  272.354   15.296 -16.91476 22.36232 
1 1 1   54    2    9 o  227.925   12.426 21254.30  2290.95 20426.01  2718.21 23285.54  4256.69  223.013   15.100  236.636   22.422 -13.62283 27.03220 
1 1 1   54    2   10 o  387.778   14.588 61530.51  4593.31 62450.13  6501.00 60613.75  6490.85  388.610   20.677  382.741   20.966 5.869263 29.44688 
1 1 1   54    2   11 o  256.512   13.145 27001.91  2728.64 24309.16  5196.53 28026.98  3206.21  239.123   27.251  260.882   15.202 -21.75853 31.20427 
1 1 1   54    2   12 o  267.989   11.887 29412.57  2586.65 28699.97  3678.20 30109.78  3638.27  262.905   17.328  269.518   16.708 -6.613678 24.07057 
1 1 1   54    2   13 o  291.804   12.333 34972.82  2922.06 35351.86  4153.09 34601.23  4112.05  291.132   17.652  288.006   17.669 3.125793 24.97618 
1 1 1   54    2   14 o  170.169   10.089 11905.24  1387.73 10556.04  1962.84 13253.62  1962.24  158.848   15.412  178.688   13.627 -19.84004 20.57276 
1 1 1   54    2   15 o  175.531   10.472 12698.95  1485.78 12788.54  2130.57 12614.12  2073.03  174.737   15.167  173.644   14.846 1.093018 21.22349 
1 1 1   54    2   16 o   34.699   14.339  158.526  656.904  559.984  914.097 -270.2263  944.660   44.876   17.458   36.384   16.121 8.492054 23.76245 
1 1 1   54    2   17 o  158.441   10.858 10419.35  1388.43 11222.16  1971.30  9629.08  1955.85  162.856   15.079  150.244   16.294 12.61172 22.20028 
1 1 1   54    2   18 o   26.399   12.335 -601.6933  654.853 -1650.2061  972.902  266.822  885.464   27.711   13.490   40.383   16.664 -12.67248 21.44003 
1 1 1   54    2   19 o   82.947   15.691  3037.26  1018.06  3973.11  1369.25  1880.30  1522.43   93.812   18.633   65.784   23.062 28.02718 29.64863 
1 1 1   54    2   20 o   91.580   14.537  3697.92  1044.83  2267.03  1351.01  5827.34  1648.11   69.152   21.649  112.857   18.636 -43.70516 28.56525 
1 1 1   54    4    0 o  416.494   22.096 71355.35  7445.84 73921.14 10438.32 68697.38 10624.15  421.414   30.717  405.562   32.537 15.85220 44.74575 
1 1 1   54    4    1 o  134.906   11.337  7460.99  1230.38  7393.02  1615.19  7554.96  1899.13  133.777   15.136  134.819   17.783 -1.042282 23.35218 
1 1 1   54    4    2 o  308.629   16.280 38996.88  4065.36 32975.60  5587.96 45767.43  5925.44  282.135   24.640  333.323   22.018 -51.18823 33.04386 
1 1 1   54    4    3 o  607.721   24.442 151897.30 12061.09 145613.50 14800.49 164319.80 20809.86  591.989   30.898  623.442   41.343 -31.45276 51.61369 
1 1 1   54    4    4 o  780.478   27.883 251637.20 17669.87 246867.70 24914.14 256464.59 25064.49  765.000   40.251  780.161   39.698 -15.16107 56.53406 
1 1 1   54    4    5 o  339.972   13.504 47125.35  3727.77 47096.12  5225.54 47155.63  5319.43  338.622   19.083  338.768   19.420 -0.1459351 27.22661 
1 1 1   54    4    6 f  407.564   15.195 67824.16  5028.34 69998.23  7079.65 65610.98  7143.07  412.404   21.214  398.994   22.135 13.41019 30.65963 
1 1 1   54    4    7 o  140.604   8.3302  8068.92  946.784  6744.49  1314.55  9496.46  1364.77  127.979   12.823  152.291   11.114 -24.31150 16.96865 
1 1 1   54    4    8 o  362.411   20.434 54125.41  5988.48 54125.41  5988.48   0.0000   0.0000  362.411   20.434  ?   ?  0.000000 20.43391 
1 1 1   54    4    9 o  442.263   16.279 80089.84  5845.71 83565.22  8286.45 76646.77  8247.84  449.382   22.784  429.989   23.715 19.39276 32.88678 
1 1 1   54    4   10 o  296.296   12.540 35860.22  3017.02 36304.37  4280.05 35421.56  4253.50  296.685   17.850  293.013   17.965 3.672241 25.32511 
1 1 1   54    4   11 o  185.643   9.5920 14093.43  1440.91 14197.85  2060.57 13993.51  2015.69  185.625   13.770  184.318   13.564 1.307480 19.32810 
1 1 1   54    4   12 o  129.340   9.0310  6860.21  942.480  6428.85  1346.42  7274.64  1319.72  124.391   13.550  132.640   12.398 -8.248619 18.36567 
1 1 1   54    4   13 o  133.230   9.3121  7290.48  1001.04  7599.40  1434.64  6997.36  1397.46  135.262   13.232  129.689   13.467 5.573318 18.87994 
1 1 1   54    4   14 o  117.965   10.051  5742.94  953.512  4795.07  1350.42  6685.36  1346.53  106.275   16.159  126.623   13.295 -20.34796 20.92518 
1 1 1   54    4   15 o   90.576   11.133  3424.49  801.510  3837.36  1135.73  3014.83  1131.30   94.918   15.253   83.387   17.277 11.53032 23.04625 
1 1 1   54    4   16 o   62.141   15.025  1675.72  749.745  888.219  1026.24  2577.20  1098.00   50.748   18.782   76.639   17.959 -25.89052 25.98581 
1 1 1   54    4   17 o   35.567   14.710  173.546  692.227   43.573  916.576  346.099  1056.10   38.684   16.512   44.410   18.248 -5.726089 24.60978 
1 1 1   54    4   18 o   92.478   12.560  3635.57  918.723  3717.25  1190.92  3515.50  1443.84   92.111   16.531   87.980   20.578 4.130859 26.39554 
1 1 1   54    4   19 o   44.173   16.178  715.835  758.266  693.811  1043.98  740.428  1103.16   47.519   18.610   48.816   19.126 -1.297863 26.68583 
1 1 1   54    4   20 o   21.610   10.656 -1384.3610  670.127 -1469.2340  791.263 -1169.0590  1260.26   24.169   11.850   35.329   16.695 -11.15984 20.47317 
1 1 1   54    6    0 o  275.802   23.831 31498.03  5284.34   0.0000   0.0000 31498.03  5284.34  ?   ?   275.802   23.831 0.000000 23.83097 
1 1 1   54    6    1 o  246.056   22.078 25039.05  4363.92   0.0000   0.0000 25039.05  4363.92  ?   ?   246.056   22.078 0.000000 22.07756 
1 1 1   54    6    2 o  853.628   64.214 324471.50 44181.51   0.0000   0.0000 324471.50 44181.51  ?   ?   853.628   64.214 0.000000 64.21358 
1 1 1   54    6    3 o  744.978   33.303 231030.20 20144.65 239378.20 24689.90 214406.30 34841.25  752.888   40.537  694.343   62.468 58.54510 74.46794 
1 1 1   54    6    4 o  120.230   8.3394  5906.40  809.091  4956.46  1064.86  7203.80  1244.47  109.634   12.167  132.483   11.689 -22.84921 16.87211 
1 1 1   54    6    5 o  678.629   25.010 189849.00 13781.07 195296.50 19432.53 184337.30 19546.73  682.427   35.190  662.157   36.497 20.26971 50.69845 
1 1 1   54    6    6 f  219.710   10.855 19657.82  1936.59 19177.39  2302.13 20820.69  3581.63  216.460   13.161  224.464   19.856 -8.004456 23.82179 
1 1 1   54    6    7 o   40.415   12.692  657.760  463.935  586.652  532.408  882.099  945.667   39.755   13.655   50.507   18.129 -10.75208 22.69590 
1 1 1   54    6    8 o  410.753   15.191 68973.81  5066.37 68685.81  7177.00 69259.88  7152.91  407.863   21.750  409.621   21.582 -1.757538 30.64087 
1 1 1   54    6    9 o  266.789   10.414 29004.81  2255.88 29362.67  3196.44 28649.69  3184.20  267.526   14.772  264.223   14.903 3.302429 20.98366 
1 1 1   54    6   10 o  583.205   20.664 140591.41  9785.12 143446.59 13873.90 137765.41 13802.88  583.148   29.395  571.109   29.869 12.03833 41.90781 
1 1 1   54    6   11 o  284.476   11.742 33104.41  2712.26 33916.42  3871.18 32321.49  3801.21  286.371   16.721  279.502   16.828 6.869019 23.72283 
1 1 1   54    6   12 o  224.689   12.829 20795.68  2330.87 19444.01  4781.58 21216.98  2669.52  211.343   28.599  226.486   14.594 -15.14314 32.10706 
1 1 1   54    6   13 o   60.421   12.676  1556.80  602.028  1585.43  827.138  1524.54  877.922   60.786   16.386   59.826   17.173 0.9603386 23.73631 
1 1 1   54    6   14 o  186.714   10.291 14342.04  1554.16 14310.38  2203.82 14373.37  2192.05  185.227   14.776  185.676   14.659 -0.4487610 20.81395 
1 1 1   54    6   15 o  299.799   12.933 37188.50  3148.14 35977.96  4521.72 38327.29  4385.68  291.027   19.244  301.230   18.013 -10.20377 26.35915 
1 1 1   54    6   16 o   83.008   12.222  2910.77  799.095  3756.62  1088.65  1922.63  1176.66   93.779   14.787   66.537   20.091 27.24259 24.94600 
1 1 1   54    6   17 o  216.519   11.156 19466.20  1954.61 19170.83  2783.49 19753.53  2745.37  212.234   16.276  215.746   15.781 -3.511948 22.67096 
1 1 1   54    6   18 o  103.305   12.330  4521.79  1013.79  6369.50  1325.48  1917.18  1573.72  122.344   13.572   67.071   23.451 55.27296 27.09509 
1 1 1   54    6   19 o   66.685   15.402  1984.36  817.138  3041.36  1070.35  507.641  1265.14   82.448   16.563   48.272   19.920 34.17582 25.90625 
1 1 1   54    6   20 o  129.576   12.235  7213.85  1272.02  6283.42  1667.52  8508.78  1967.21  117.169   18.112  136.546   18.196 -19.37740 25.67367 
1 1 1   54    8    0 o  258.351   23.237 27658.66  4822.29   0.0000   0.0000 27658.66  4822.29  ?   ?   258.351   23.237 0.000000 23.23678 
1 1 1   54    8    1 o   96.027   19.792  3914.96  1491.87   0.0000   0.0000  3914.96  1491.87  ?   ?    96.027   19.792 0.000000 19.79177 
1 1 1   54    8    2 o  466.131   35.155 91280.17 13207.78   0.0000   0.0000 91280.17 13207.78  ?   ?   466.131   35.155 0.000000 35.15535 
1 1 1   54    8    3 o  685.810   34.839 197047.09 19336.76 202606.30 27695.87 191760.00 27009.66  684.253   50.200  665.476   50.359 18.77795 71.10575 
1 1 1   54    8    4 o  303.383   17.163 37761.10  4210.59 37761.10  4210.59   0.0000   0.0000  303.383   17.163  ?   ?  0.000000 17.16317 
1 1 1   54    8    5 o  169.100   12.392 11717.44  1689.55 13515.62  1973.44  6781.20  3269.68  181.533   13.485  125.212   32.031 56.32110 34.75362 
1 1 1   54    8    6 o  473.793   15.760 91760.09  6062.81 90414.72  8536.51 93129.41  8612.21  468.672   22.432  475.695   22.297 -7.023010 31.62853 
1 1 1   54    8    7 o  567.863   20.204 132493.41  9315.99 137905.09 13164.34 127064.50 13185.29  576.130   28.141  551.658   29.543 24.47198 40.80113 
1 1 1   54    8    8 o  135.250   8.7768  7476.37  958.646  8219.85  1311.78  6624.17  1404.42  141.521   11.516  126.590   13.892 14.93082 18.04398 
1 1 1   54    8    9 o  143.605   9.5449  8438.37  1106.62  8553.76  1353.82  8206.03  1920.99  144.313   11.653  140.359   17.217 3.953827 20.78953 
1 1 1   54    8   10 o  219.262   10.478 19621.60  1865.46 20188.20  2637.42 19054.36  2638.91  221.355   14.759  214.921   15.220 6.434570 21.20090 
1 1 1   54    8   11 o  132.677   9.0588  7215.73  970.067  6682.00  1330.17  7822.08  1417.79  126.970   13.090  137.526   12.845 -10.55589 18.33992 
1 1 1   54    8   12 o  297.504   12.657 36369.98  3057.44 36303.52  4364.48 36434.02  4284.38  294.775   18.326  295.479   17.943 -0.7034912 25.64688 
1 1 1   54    8   13 o  223.498   10.507 20479.03  1906.76 19654.87  2711.99 21284.73  2681.42  217.207   15.478  226.362   14.668 -9.155487 21.32426 
1 1 1   54    8   14 o  202.460   10.394 16871.22  1702.92 16982.29  2407.64 16760.03  2408.94  201.730   14.802  200.358   14.914 1.372101 21.01293 
1 1 1   54    8   15 o  172.134   10.298 12226.07  1432.66 13016.41  1994.43 11383.48  2059.29  176.438   14.038  164.356   15.619 12.08241 20.99999 
1 1 1   54    8   16 o   70.331   11.947  2102.68  657.825  2417.70  803.255  1461.14  1146.30   75.082   13.680   59.620   20.040 15.46297 24.26423 
1 1 1   54    8   17 o  157.463   10.410 10297.55  1323.47 10370.70  1819.30 10215.34  1928.83  156.408   14.490  154.726   15.564 1.681488 21.26512 
1 1 1   54    8   18 o  181.508   11.423 13801.60  1674.97 15299.54  2321.69 12175.69  2418.82  188.904   15.267  166.559   18.181 22.34488 23.74057 
1 1 1   54    8   19 f  143.976   11.569  8778.42  1341.07 10005.26  1777.26  7156.23  2043.65  151.979   14.581  124.237   21.008 27.74169 25.57229 
1 1 1   54    8   20 o   93.598   14.180  3881.54  1043.89  4017.10  1301.86  3637.43  1747.01   93.089   17.873   84.375   24.226 8.714851 30.10618 
1 1 1   54   10    3 o  1022.88   82.522 502607.59 67955.20   0.0000   0.0000 502607.59 67955.20  ?   ?   1022.88   82.522 0.000000 82.52238 
1 1 1   54   10    4 o  153.632   19.138  9822.52  2335.60   0.0000   0.0000  9822.52  2335.60  ?   ?   153.632   19.138 0.000000 19.13810 
1 1 1   54   10    5 o  481.942   36.429 98330.25 14150.12   0.0000   0.0000 98330.25 14150.12  ?   ?   481.942   36.429 0.000000 36.42888 
1 1 1   54   10    6 o  253.688   10.582 26215.69  2179.72 26585.82  2997.24 25800.18  3175.66  254.687   14.554  250.691   15.680 3.995590 21.39345 
1 1 1   54   10    7 o  856.258   29.809 306260.81 20725.08 320205.91 29292.21 292282.31 29327.20  863.937   41.757  821.924   44.105 42.01373 60.73660 
1 1 1   54   10    8 o  369.625   15.888 55985.52  4768.41 63680.67  6744.74 48295.80  6742.36  392.230   21.257  340.294   24.567 51.93610 32.48702 
1 1 1   54   10    9 o  314.473   12.141 40414.77  3100.00 38946.97  4394.04 41869.32  4374.15  307.089   17.697  318.652   16.967 -11.56323 24.51681 
1 1 1   54   10   10 o  496.231   17.584 101730.00  7085.03 97692.48 10075.86 105678.90  9964.56  480.830   25.903  501.732   24.460 -20.90155 35.62661 
1 1 1   54   10   11 o  162.053   9.5790 10767.29  1254.82 10758.47  1736.99 10776.91  1814.74  161.239   13.389  161.236   14.001 0.2990723E-02 19.37197 
1 1 1   54   10   12 o  166.023   9.2447 11304.45  1241.29 10183.34  1711.89 12547.40  1802.51  156.609   13.597  174.153   12.838 -17.54381 18.69993 
1 1 1   54   10   13 o   19.284   9.0920 -412.7444  369.922 -633.1367  485.286 -107.0609  571.526   21.278   10.142   29.232   12.758 -7.954395 16.29864 
1 1 1   54   10   14 o  258.943   12.207 27678.79  2566.46 29017.60  3661.48 26385.73  3598.38  262.457   17.278  249.920   17.850 12.53770 24.84249 
1 1 1   54   10   15 o   68.971   11.739  2017.95  633.836  1871.81  778.732  2304.79  1091.02   65.699   14.936   72.379   18.496 -6.680779 23.77337 
1 1 1   54   10   16 o  193.644   11.182 15568.80  1750.74 17118.04  2442.75 13932.48  2510.46  201.311   15.053  180.349   17.358 20.96178 22.97598 
1 1 1   54   10   17 o   84.645   11.755  3036.69  786.121  2368.32  984.917  4209.84  1304.88   73.073   16.931   97.992   17.017 -24.91899 24.00544 
1 1 1   54   10   18 f   16.837   8.3342 -963.8623  423.912 -737.9031  460.973 -2202.0459  1079.08   19.532   9.4557   27.420   13.521 -7.888433 16.49966 
1 1 1   54   10   19 o   25.852   11.979 -455.1427  597.915 -650.1910  690.591  128.795  1194.90   26.692   12.534   43.336   18.682 -16.64357 22.49715 
1 1 1   54   10   20 o  104.718   12.293  4772.40  1025.40  5079.78  1260.15  4170.04  1764.07  106.416   15.000   89.966   23.787 16.45017 28.12127 
1 1 1   54   12    0 o  317.840   27.384 42178.87  6998.12   0.0000   0.0000 42178.87  6998.12  ?   ?   317.840   27.384 0.000000 27.38390 
1 1 1   54   12    1 o  186.377   21.850 14480.14  3243.82   0.0000   0.0000 14480.14  3243.82  ?   ?   186.377   21.850 0.000000 21.84982 
1 1 1   54   12    3 o  296.423   29.037 36868.15  6899.08 36868.15  6899.08   0.0000   0.0000  296.423   29.037  ?   ?  0.000000 29.03710 
1 1 1   54   12    4 o  552.198   43.812 131575.70 19482.41 131575.70 19482.41   0.0000   0.0000  552.198   43.812  ?   ?  0.000000 43.81179 
1 1 1   54   12    6 o   50.546   14.834  1062.31  648.607   0.0000   0.0000  1062.31  648.607  ?   ?    50.546   14.834 0.000000 14.83390 
1 1 1   54   12    7 o  193.606   14.256 15415.03  2225.33   0.0000   0.0000 15415.03  2225.33  ?   ?   193.606   14.256 0.000000 14.25619 
1 1 1   54   12    8 o  127.745   8.6695  6677.64  893.922  7741.32  1165.22  5156.12  1393.61  137.352   10.528  110.982   15.921 26.36971 19.08720 
1 1 1   54   12    9 o  150.952   8.6924  9319.83  1060.91  9302.53  1416.55  9341.93  1601.04  150.363   11.695  150.403   13.245 -0.3942871E-01 17.66919 
1 1 1   54   12   10 o  103.005   7.8481  4350.23  651.449  3697.11  805.532  5584.90  1107.54   94.474   10.689  116.140   11.913 -21.66551 16.00570 
1 1 1   54   12   11 o  154.495   8.3871  9773.49  1048.17  7320.76  1386.15 13048.82  1601.81  132.768   13.026  178.054   11.135 -45.28621 17.13683 
1 1 1   54   12   12 o   76.301   8.6477  2409.86  526.294  2041.67  623.072  3326.71  983.219   69.618   11.418   88.666   14.131 -19.04716 18.16798 
1 1 1   54   12   13 o   81.356   15.419  2840.23  981.273  4999.51  2730.95  2520.12  1051.50  104.412   30.380   76.121   17.393 28.29066 35.00682 
1 1 1   54   12   14 o   95.224   9.1099  3751.98  695.771  3679.66  858.793  3890.14  1186.94   93.767   11.522   95.244   15.909 -1.477196 19.64333 
1 1 1   54   12   15 o  220.137   11.235 20082.46  2001.49 20473.09  2809.07 19679.65  2852.49  220.103   15.824  215.446   16.430 4.656616 22.81066 
1 1 1   54   12   16 o  100.945   9.5172  4236.79  770.864  4060.58  976.627  4528.00  1255.49   97.952   12.569  102.475   15.580 -4.523422 20.01792 
1 1 1   54   12   17 o   27.099   11.601  -1.6465  454.783 -140.7699  505.583  588.162  1040.99   26.713   11.816   46.489   18.464 -19.77647 21.92131 
1 1 1   54   12   18 o   71.572   11.917  2209.24  668.194  2723.69  770.189  643.619  1343.61   79.489   12.333   50.498   20.646 28.99020 24.04930 
1 1 1   54   12   19 o   36.927   12.771  542.875  466.103  757.201  512.733 -477.2866  1118.63   42.017   13.360   36.973   16.855 5.044079 21.50807 
1 1 1   54   14    0 o  196.612   22.837 16158.47  3577.88   0.0000   0.0000 16158.47  3577.88  ?   ?   196.612   22.837 0.000000 22.83720 
1 1 1   54   14    1 o  248.469   24.077 25750.92  4796.60   0.0000   0.0000 25750.92  4796.60  ?   ?   248.469   24.077 0.000000 24.07729 
1 1 1   54   14    2 o  357.816   29.397 53744.02  8465.29   0.0000   0.0000 53744.02  8465.29  ?   ?   357.816   29.397 0.000000 29.39675 
1 1 1   54   14    3 o  369.391   29.945 57354.13  8904.32   0.0000   0.0000 57354.13  8904.32  ?   ?   369.391   29.945 0.000000 29.94543 
1 1 1   54   14    4 o  524.651   28.561 115151.00 12121.19 111906.30 17601.16 118078.00 16716.91  507.785   43.097  524.311   39.558 -16.52603 58.49947 
1 1 1   54   14    5 o  375.646   33.517 60030.12 10115.66 60030.12 10115.66   0.0000   0.0000  375.646   33.517  ?   ?  0.000000 33.51681 
1 1 1   54   14    6 o  286.626   17.676 33895.12  4093.74 49237.08  6432.66 23452.10  5307.17  343.831   23.177  235.040   28.384 108.7905 36.64391 
1 1 1   54   14    7 o  277.809   24.037 32395.62  5368.69   0.0000   0.0000 32395.62  5368.69  ?   ?   277.809   24.037 0.000000 24.03721 
1 1 1   54   14    8 o   80.582   14.684  2748.73  925.379   0.0000   0.0000  2748.73  925.379  ?   ?    80.582   14.684 0.000000 14.68418 
1 1 1   54   14    9 o  287.685   17.172 34389.04  3993.01   0.0000   0.0000 34389.04  3993.01  ?   ?   287.685   17.172 0.000000 17.17237 
1 1 1   54   14   10 o  120.509   17.082  6144.21  1624.70  4504.52  3053.28  6791.85  1918.92  101.344   32.643  126.137   19.354 -24.79253 37.94940 
1 1 1   54   14   11 o  130.624   7.6155  6987.35  804.214  5104.00  1011.91 10216.60  1325.04  110.901   11.400  157.517   10.419 -46.61555 15.44367 
1 1 1   54   14   12 o  111.869   8.1042  5142.03  731.150  5181.68  903.184  5066.65  1245.39  111.948   10.043  109.672   14.328 2.276390 17.49707 
1 1 1   54   14   13 o  197.498   13.587 16257.26  2165.62 18684.12  5377.83 15787.55  2365.93  199.023   34.531  194.008   15.139 5.014786 37.70355 
1 1 1   54   14   14 o   51.080   10.012  1109.95  400.426  1211.85  450.692  728.013  872.505   53.283   10.787   46.496   17.296 6.786945 20.38435 
1 1 1   54   14   15 o   23.389   9.8145   36.943  314.691 -174.6805  340.715  1265.66  820.984   20.939   9.4484   54.475   16.847 -33.53543 19.31578 
1 1 1   54   14   16 o   50.411   11.337  1097.55  452.785  1180.98  495.088  670.990  1119.47   52.218   11.937   48.662   19.204 3.556595 22.61155 
1 1 1   54   14   17 o   71.840   10.344  2189.56  586.008  2256.03  656.743  1929.89  1298.05   72.583   11.529   65.538   21.300 7.044556 24.22031 
1 1 1   54   14   18 o  108.169   10.111  4937.67  877.790  5273.17  1036.28  4085.49  1651.55  111.140   11.657   91.933   22.344 19.20705 25.20150 
1 1 1   54   14   19 o  132.049   10.027  7397.43  1067.04  6820.12  1330.33  8438.77  1786.69  124.735   13.342  136.378   16.468 -11.64300 21.19468 
1 1 1   54   16    0 o  389.724   32.337 64406.51 10140.36   0.0000   0.0000 64406.51 10140.36  ?   ?   389.724   32.337 0.000000 32.33695 
1 1 1   54   16    1 o   73.250   24.132  2134.83  1663.95   0.0000   0.0000  2134.83  1663.95  ?   ?    73.250   24.132 0.000000 24.13153 
1 1 1   54   16    2 o  165.993   22.198 11580.64  2916.88   0.0000   0.0000 11580.64  2916.88  ?   ?   165.993   22.198 0.000000 22.19756 
1 1 1   54   16    3 o  389.583   31.676 64370.81  9933.34   0.0000   0.0000 64370.81  9933.34  ?   ?   389.583   31.676 0.000000 31.67629 
1 1 1   54   16    4 o   98.814   18.772  4149.81  1451.06  4016.57  2484.56  4218.78  1787.62   97.136   29.164   98.983   22.723 -1.846878 36.97114 
1 1 1   54   16    5 o  241.169   17.521 24061.79  3407.49 27338.46  5373.53 21858.03  4406.81  254.273   26.412  227.856   24.189 26.41714 35.81495 
1 1 1   54   16    6 o  305.896   20.210 38954.27  4991.35 36847.61  7647.74 40517.51  6587.90  291.646   32.868  309.302   26.487 -17.65628 42.21249 
1 1 1   54   16    7 o  148.799   14.424  9185.42  1720.81 15779.79  3398.18  6911.22  1995.60  193.148   22.064  127.522   19.925 65.62650 29.72898 
1 1 1   54   16    8 o   99.625   15.764  4196.05  1232.75  5860.93  3217.47  3909.60  1334.59  114.168   32.906   95.592   17.851 18.57575 37.43592 
1 1 1   54   16    9 o  179.342   18.972 13582.97  2720.73   0.0000   0.0000 13582.97  2720.73  ?   ?   179.342   18.972 0.000000 18.97178 
1 1 1   54   16   10 o   67.975   22.279  1909.44  1418.93   0.0000   0.0000  1909.44  1418.93  ?   ?    67.975   22.279 0.000000 22.27878 
1 1 1   54   16   11 o  193.092   14.323 15544.25  2229.60   0.0000   0.0000 15544.25  2229.60  ?   ?   193.092   14.323 0.000000 14.32291 
1 1 1   54   16   12 o  156.423   13.212 10208.55  1662.34 10901.81  4714.69 10110.13  1776.42  148.334   38.728  155.326   14.244 -6.991440 41.26396 
1 1 1   54   16   13 o  145.725   13.317  8897.57  1558.34 10645.67  4804.56  8692.05  1647.40  144.258   39.747  143.676   14.312 0.5820313 42.24482 
1 1 1   54   16   14 o  117.609   14.965  5896.33  1396.70  6601.82  4703.56  5828.10  1462.68  113.538   40.465  116.581   15.864 -3.043266 43.46317 
1 1 1   54   16   15 o  117.386   15.672  5937.37  1456.41 10016.49  5363.01  5612.59  1513.28  131.726   43.320  113.545   16.932 18.18119 46.51083 
1 1 1   54   16   16 o  100.969   17.144  4510.73  1355.29  5733.66  5618.10  4435.16  1396.53  102.704   42.131   99.749   17.900 2.955734 45.77585 
1 1 1   54   16   17 o  110.272   9.5721  5099.81  848.559  5389.84  995.999  4331.90  1620.64  112.817   11.013   95.787   21.379 17.02953 24.04924 
1 1 1   54   16   18 o   91.070   9.4195  3507.89  686.469  3211.51  781.032  4514.32  1439.26   86.291   11.428   98.299   18.716 -12.00740 21.92927 
1 1 1   54   18    0 o  423.817   35.472 77476.41 12094.71   0.0000   0.0000 77476.41 12094.71  ?   ?   423.817   35.472 0.000000 35.47243 
1 1 1   54   18    1 o   81.825   25.842  2775.13  1920.70   0.0000   0.0000  2775.13  1920.70  ?   ?    81.825   25.842 0.000000 25.84166 
1 1 1   54   18    2 o  304.058   27.587 39155.27  6736.67   0.0000   0.0000 39155.27  6736.67  ?   ?   304.058   27.587 0.000000 27.58694 
1 1 1   54   18    3 o  205.385   22.819 17767.51  3741.10   0.0000   0.0000 17767.51  3741.10  ?   ?   205.385   22.819 0.000000 22.81902 
1 1 1   54   18    4 o  432.847   25.246 78958.50  8834.26 80135.98 13182.51 77998.60 11902.39  425.965   38.531  423.220   34.949 2.744568 52.01997 
1 1 1   54   18    5 o  425.891   24.926 76690.49  8581.93 78765.96 12831.82 75010.85 11543.51  420.896   37.955  413.620   34.692 7.276306 51.42117 
1 1 1   54   18    6 o  299.608   13.984 36942.61  3401.92 49342.89  7072.79 33210.36  3880.25  339.931   25.818  282.689   16.984 57.24228 30.90313 
1 1 1   54   18    7 o  351.045   15.417 50975.62  4394.48 69529.15  9087.98 45313.53  5020.45  400.640   28.115  328.966   18.874 71.67468 33.86269 
1 1 1   54   18    8 o   94.368   13.110  3737.39  977.427  6758.13  4087.41  3554.17  1006.63  120.580   37.640   91.789   13.945 28.79169 40.14073 
1 1 1   54   18    9 o  147.337   15.707  9121.55  1850.05 21537.88  4883.02  7040.53  1999.08  220.690   27.872  127.881   19.900 92.80867 34.24642 
1 1 1   54   18   10 f  346.559   40.510 57897.82 11184.18 57897.82 11184.18   0.0000   0.0000  346.559   40.510  ?   ?  0.000000 40.50993 
1 1 1   54   18   11 o  230.923   22.060 23111.81  4085.98   0.0000   0.0000 23111.81  4085.98  ?   ?   230.923   22.060 0.000000 22.06004 
1 1 1   54   18   12 o  160.815   14.287 10873.08  1846.07   0.0000   0.0000 10873.08  1846.07  ?   ?   160.815   14.287 0.000000 14.28669 
1 1 1   54   18   13 o  174.557   14.855 12884.71  2085.43   0.0000   0.0000 12884.71  2085.43  ?   ?   174.557   14.855 0.000000 14.85481 
1 1 1   54   18   14 o   46.318   18.105  620.677  986.722  4205.17  4734.63  457.923  1008.88   97.103   39.100   44.693   18.031 52.40977 43.05748 
1 1 1   54   18   15 o  170.471   14.613 12429.24  2003.07 17790.17  6806.62 11920.95  2095.88  166.525   47.822  166.277   15.710 0.2469788 50.33587 
1 1 1   54   18   16 o   81.530   20.116  3098.87  1323.49  3553.50  6214.14  3077.26  1354.57   91.060   40.780   81.055   20.553 10.00475 45.66607 
1 1 1   54   18   17 o   80.637   20.922  3138.41  1381.63   0.0000   0.0000  3138.41  1381.63  ?   ?    80.637   20.922 0.000000 20.92192 
1 1 1   54   20    0 o   95.805   28.559  3981.55  2388.84   0.0000   0.0000  3981.55  2388.84  ?   ?    95.805   28.559 0.000000 28.55904 
1 1 1   54   20    1 o  185.236   25.749 14748.85  3767.98   0.0000   0.0000 14748.85  3767.98  ?   ?   185.236   25.749 0.000000 25.74851 
1 1 1   54   20    2 o  212.820   25.261 19392.02  4279.87   0.0000   0.0000 19392.02  4279.87  ?   ?   212.820   25.261 0.000000 25.26051 
1 1 1   54   20    3 o  194.661   24.252 16233.03  3750.06   0.0000   0.0000 16233.03  3750.06  ?   ?   194.661   24.252 0.000000 24.25181 
1 1 1   54   20    4 o   93.079   22.509  3792.01  1682.47  5278.04  3327.46  3281.58  1950.13  108.816   33.960   86.896   25.781 21.91996 42.63772 
1 1 1   54   20    5 o  241.457   19.608 24569.71  3811.08 25913.44  6301.33 23794.70  4785.54  240.257   33.187  234.667   25.527 5.589645 41.86919 
1 1 1   54   20    6 o   24.337   10.707 -110.3745  409.692  3462.02  3519.89 -159.4360  412.496   94.066   34.790   23.764   10.584 70.30142 36.36407 
1 1 1   54   20    7 f  127.142   12.170  6716.32  1241.06 10291.99  4449.48  6414.68  1292.34  146.833   37.259  124.021   13.028 22.81284 39.47134 
1 1 1   54   20    8 o  167.135   12.566 11594.37  1692.87 14304.53  5486.69 11309.22  1779.70  170.747   40.235  164.804   13.416 5.942352 42.41260 
1 1 1   54   20    9 o   41.040   15.578  512.940  715.580  915.941  4566.35  502.795  724.532   84.458   36.465   41.036   15.652 43.42231 39.68255 
1 1 1   54   20   10 o   84.240   14.952  3045.21  985.246  3523.44  5125.66  3026.86  1003.97   99.133   40.405   83.880   15.305 15.25357 43.20631 
1 1 1   54   20   11 o  120.619   18.324  6310.73  1738.17  7466.91  5878.85  6199.98  1819.52  120.245   44.863  119.051   19.498 1.194397 48.91735 
1 1 1   54   20   12 o   91.369   20.966  3759.43  1522.43  5395.50  5119.23  3600.69  1594.58  106.095   41.303   89.017   22.151 17.07820 46.86786 
1 1 1   54   20   13 o   67.077   22.124  1962.63  1398.49   0.0000   0.0000  1962.63  1398.49  ?   ?    67.077   22.124 0.000000 22.12420 
1 1 1   54   20   14 f  105.637   17.408  4934.09  1441.10   0.0000   0.0000  4934.09  1441.10  ?   ?   105.637   17.408 0.000000 17.40763 
1 1 1   54   20   15 f  177.757   15.228 13706.64  2176.63 22077.57  7994.57 13036.44  2262.09  169.040   52.621  172.502   16.345 -3.462204 55.10105 
1 1 1   54   20   16 o   54.593   20.644  1179.04  1253.58   0.0000   0.0000  1179.04  1253.58  ?   ?    54.593   20.644 0.000000 20.64417 
1 1 1   54   20   17 f   58.778   20.663  1608.48  1222.50   0.0000   0.0000  1608.48  1222.50  ?   ?    58.778   20.663 0.000000 20.66262 
1 1 1   54   22    0 o  195.212   12.290 15736.63  1938.14   0.0000   0.0000 15736.63  1938.14  ?   ?   195.212   12.290 0.000000 12.29037 
1 1 1   54   22    1 o  147.486   28.253  9713.94  3260.25   0.0000   0.0000  9713.94  3260.25  ?   ?   147.486   28.253 0.000000 28.25328 
1 1 1   54   22    2 o  442.327   39.783 91375.44 14135.55   0.0000   0.0000 91375.44 14135.55  ?   ?   442.327   39.783 0.000000 39.78344 
1 1 1   54   22    3 o  332.281   31.548 49391.49  8409.64   0.0000   0.0000 49391.49  8409.64  ?   ?   332.281   31.548 0.000000 31.54813 
1 1 1   54   22    4 o  223.472   25.533 21815.45  4549.91   0.0000   0.0000 21815.45  4549.91  ?   ?   223.472   25.533 0.000000 25.53343 
1 1 1   54   22    5 o  291.748   14.062 35275.99  3331.03 53344.69  8026.61 31516.68  3661.19  346.802   28.764  274.254   16.518 72.54816 33.16963 
1 1 1   54   22    6 o  131.926   11.646  7226.21  1234.66 11088.15  4975.70  6972.82  1274.52  149.490   40.144  129.415   12.276 20.07474 41.97910 
1 1 1   54   22    7 o  104.914   11.978  4601.21  1002.09  8152.43  4210.27  4387.95  1031.74  128.804   37.792  102.240   12.702 26.56477 39.86934 
1 1 1   54   22    8 o   19.665   9.4964 -719.5377  457.741 -711.4042  4415.44 -719.6260  460.220   75.935   34.162   19.745   9.5322 56.18959 35.46660 
1 1 1   54   22    9 o   96.251   27.364  4288.24  2239.75  408.805  5920.08  4936.27  2419.59   89.303   39.912  102.832   28.154 -13.52878 48.84248 
1 1 1   54   22   10 o   31.150   14.173 -444.9865  786.180  242.896  4639.29 -465.3246  797.717   80.013   35.574   31.252   14.242 48.76083 38.31931 
1 1 1   54   22   11 o   34.280   15.397 -357.3556  892.826  8751.91  6213.22 -549.4195  902.189  123.479   46.111   32.904   15.053 90.57549 48.50622 
1 1 1   54   22   12 o   30.323   14.242 -862.0183  892.348  3144.49  6689.84 -934.5956  900.394   97.126   42.973   30.028   14.166 67.09846 45.24736 
1 1 1   54   22   13 o   53.533   20.661  972.080  1272.32  2006.62  7526.77  941.649  1290.90   93.088   42.912   53.392   20.753 39.69633 47.66724 
1 1 1   54   22   14 o   95.987   23.575  4455.87  1824.03 -884.3719  7335.00  4807.87  1883.19   82.203   39.252   99.771   23.613 -17.56844 45.80712 
1 1 1   54   22   15 o   82.342   22.128  3319.70  1511.18   0.0000   0.0000  3319.70  1511.18  ?   ?    82.342   22.128 0.000000 22.12813 
1 1 1   54   22   16 o   84.843   21.132  3576.50  1450.28   0.0000   0.0000  3576.50  1450.28  ?   ?    84.843   21.132 0.000000 21.13170 
1 1 1   54   24    0 o  184.698   15.558 14334.03  2311.42   0.0000   0.0000 14334.03  2311.42  ?   ?   184.698   15.558 0.000000 15.55756 
1 1 1   54   24    1 o  354.843   16.691 52786.55  4809.08   0.0000   0.0000 52786.55  4809.08  ?   ?   354.843   16.691 0.000000 16.69122 
1 1 1   54   24    2 o  319.310   18.673 43228.89  4820.17   0.0000   0.0000 43228.89  4820.17  ?   ?   319.310   18.673 0.000000 18.67267 
1 1 1   54   24    3 o   33.079   11.491  406.483  377.529   0.0000   0.0000  406.483  377.529  ?   ?    33.079   11.491 0.000000 11.49067 
1 1 1   54   24    4 o   65.087   12.741  1812.32  649.241   0.0000   0.0000  1812.32  649.241  ?   ?    65.087   12.741 0.000000 12.74101 
1 1 1   54   24    5 o   72.364   13.518  2242.42  765.093 12245.31  5148.38  2016.52  773.683  154.990   40.472   68.343   14.397 86.64665 42.95605 
1 1 1   54   24    6 o   72.525   13.736  2258.01  779.265 -1462.0520  5157.44  2344.93  788.315   78.414   35.916   73.970   13.627 4.444595 38.41404 
1 1 1   54   24    7 o   51.658   15.583  1135.07  708.095 11863.19  5323.69  941.856  714.443  149.436   42.084   48.105   15.811 101.3316 44.95615 
1 1 1   54   24    8 o   68.967   16.925  2094.39  940.702 -2858.1240  5772.02  2229.53  953.450   77.405   36.312   71.195   16.770 6.210144 39.99728 
1 1 1   54   24    9 o   60.923   18.889  1609.67  1031.33  2384.91  5018.69  1575.49  1053.82   90.131   38.560   60.480   19.146 29.65104 43.05147 
1 1 1   54   24   10 o   57.540   19.379  1384.76  1071.96  5127.67  7347.01  1303.35  1083.56  106.217   46.056   56.450   19.475 49.76681 50.00451 
1 1 1   54   24   11 o   36.157   15.969 -190.4952  919.832 -9542.2129  6234.51   17.600  930.010   64.363   31.878   38.354   16.508 26.00862 35.89883 
1 1 1   54   24   12 o  119.455   16.977  6301.52  1600.31  6185.43  9041.40  6305.27  1625.98  104.301   47.692  119.319   17.286 -15.01775 50.72820 
1 1 1   54   24   13 o  145.869   16.446  9411.48  1913.92   0.0000   0.0000  9411.48  1913.92  ?   ?   145.869   16.446 0.000000 16.44635 
1 1 1   54   24   14 o  103.480   20.875  5128.93  1693.42   0.0000   0.0000  5128.93  1693.42  ?   ?   103.480   20.875 0.000000 20.87461 
1 1 1   54   24   15 o   78.088   26.172  3326.99  1955.03   0.0000   0.0000  3326.99  1955.03  ?   ?    78.088   26.172 0.000000 26.17212 
1 1 1   54   26    0 o  158.759   16.686 10757.45  2118.80   0.0000   0.0000 10757.45  2118.80  ?   ?   158.759   16.686 0.000000 16.68635 
1 1 1   54   26    1 o  125.553   9.5817  6522.91  969.436   0.0000   0.0000  6522.91  969.436  ?   ?   125.553   9.5817 0.000000 9.581720 
1 1 1   54   26    2 o  257.419   14.361 27807.01  2989.61   0.0000   0.0000 27807.01  2989.61  ?   ?   257.419   14.361 0.000000 14.36050 
1 1 1   54   26    3 o   56.937   13.319  1403.56  604.803   0.0000   0.0000  1403.56  604.803  ?   ?    56.937   13.319 0.000000 13.31922 
1 1 1   54   26    4 o  102.336   12.760  4421.16  1037.26   0.0000   0.0000  4421.16  1037.26  ?   ?   102.336   12.760 0.000000 12.76039 
1 1 1   54   26    5 o  120.486   12.194  6092.35  1176.53   0.0000   0.0000  6092.35  1176.53  ?   ?   120.486   12.194 0.000000 12.19406 
1 1 1   54   26    6 f  193.676   12.951 15728.35  2024.91 20212.49  8065.63 15426.71  2091.91  179.764   52.183  191.522   13.539 -11.75777 53.91069 
1 1 1   54   26    7 o  138.775   14.373  8188.65  1596.07 17044.01  7435.48  7760.91  1634.16  163.865   50.705  134.708   15.207 29.15607 52.93574 
1 1 1   54   26    8 o   79.871   27.234  2915.45  2117.23 13147.94  7256.22  1963.22  2213.55  140.481   50.239   71.280   27.318 69.20143 57.18563 
1 1 1   54   26    9 o  148.084   14.663  9393.56  1739.88 13982.86  7336.70  9120.08  1790.97  141.135   50.512  145.513   15.392 -4.378616 52.80509 
1 1 1   54   26   10 o   52.205   19.399  1018.76  1096.92  8247.68  7942.90  878.209  1107.53  110.952   47.999   50.547   19.335 60.40520 51.74637 
1 1 1   54   26   11 o   78.761   21.410  2937.27  1405.16   0.0000   0.0000  2937.27  1405.16  ?   ?    78.761   21.410 0.000000 21.41031 
1 1 1   54   26   12 o   38.607   17.610 -521.3411  1223.11   0.0000   0.0000 -521.3411  1223.11  ?   ?    38.607   17.610 0.000000 17.60964 
1 1 1   54   26   13 o  163.515   17.995 12292.89  2349.65   0.0000   0.0000 12292.89  2349.65  ?   ?   163.515   17.995 0.000000 17.99512 
1 1 1   54   26   14 o  122.628   19.781  7287.73  1902.56   0.0000   0.0000  7287.73  1902.56  ?   ?   122.628   19.781 0.000000 19.78080 
1 1 1   54   28    0 o  247.084   20.337 26848.09  4043.87   0.0000   0.0000 26848.09  4043.87  ?   ?   247.084   20.337 0.000000 20.33709 
1 1 1   54   28    1 f   54.799   9.1207  1269.63  391.559   0.0000   0.0000  1269.63  391.559  ?   ?    54.799   9.1207 0.000000 9.120669 
1 1 1   54   28    2 o  128.940   10.141  6920.02  1053.14   0.0000   0.0000  6920.02  1053.14  ?   ?   128.940   10.141 0.000000 10.14091 
1 1 1   54   28    3 o   21.428   9.4604 -92.7405  322.539   0.0000   0.0000 -92.7405  322.539  ?   ?    21.428   9.4604 0.000000 9.460385 
1 1 1   54   28    4 o  202.199   12.762 17192.07  2084.54   0.0000   0.0000 17192.07  2084.54  ?   ?   202.199   12.762 0.000000 12.76222 
1 1 1   54   28    5 o  241.241   14.561 24733.80  2838.77   0.0000   0.0000 24733.80  2838.77  ?   ?   241.241   14.561 0.000000 14.56068 
1 1 1   54   28    6 o   67.947   26.893  1636.46  2201.35  3297.87  6916.80  1449.21  2322.09   96.455   43.122   67.345   27.290 29.11021 51.03153 
1 1 1   54   28    7 o   57.459   17.596  1455.41  898.091 -3502.4270  8149.26  1516.37  903.595   83.105   40.118   58.499   17.593 24.60652 43.80606 
1 1 1   54   28    8 o   92.877   18.209  3899.06  1324.09 17974.54  8928.73  3582.56  1338.90  142.994   54.850   88.471   19.190 54.52231 58.10984 
1 1 1   54   28    9 o  112.574   17.791  5702.52  1572.19   0.0000   0.0000  5702.52  1572.19  ?   ?   112.574   17.791 0.000000 17.79129 
1 1 1   54   28   10 o   50.224   18.962  951.794  1056.51   0.0000   0.0000  951.794  1056.51  ?   ?    50.224   18.962 0.000000 18.96167 
1 1 1   54   28   11 o   26.453   12.965 -1684.0800  943.918   0.0000   0.0000 -1684.0800  943.918  ?   ?    26.453   12.965 0.000000 12.96470 
1 1 1   54   28   12 o  101.901   21.807  5193.70  1749.80   0.0000   0.0000  5193.70  1749.80  ?   ?   101.901   21.807 0.000000 21.80684 
1 1 1   54   30    0 f   99.694   22.226  4654.88  1753.24   0.0000   0.0000  4654.88  1753.24  ?   ?    99.694   22.226 0.000000 22.22579 
1 1 1   54   30    1 o   58.166   22.156  1252.84  1450.63   0.0000   0.0000  1252.84  1450.63  ?   ?    58.166   22.156 0.000000 22.15647 
1 1 1   54   30    2 f  243.495   22.715 27232.83  4439.09   0.0000   0.0000 27232.83  4439.09  ?   ?   243.495   22.715 0.000000 22.71485 
1 1 1   54   30    3 o  261.955   24.483 32151.95  5147.10   0.0000   0.0000 32151.95  5147.10  ?   ?   261.955   24.483 0.000000 24.48287 
1 1 1   54   30    4 f   84.496   29.089  3542.81  2416.91   0.0000   0.0000  3542.81  2416.91  ?   ?    84.496   29.089 0.000000 29.08944 
1 1 1   54   30    5 o  195.640   25.646 18430.07  3975.80   0.0000   0.0000 18430.07  3975.80  ?   ?   195.640   25.646 0.000000 25.64581 
1 1 1   54   30    6 o   76.102   16.323  2611.57  978.421   0.0000   0.0000  2611.57  978.421  ?   ?    76.102   16.323 0.000000 16.32349 
1 1 1   54   30    7 f   75.598   18.750  2664.57  1145.35   0.0000   0.0000  2664.57  1145.35  ?   ?    75.598   18.750 0.000000 18.75026 
1 1 1   54   30    8 o   43.903   17.715  530.957  974.080   0.0000   0.0000  530.957  974.080  ?   ?    43.903   17.715 0.000000 17.71517 
1 1 1   54   30    9 o   86.484   20.834  3656.32  1445.63   0.0000   0.0000  3656.32  1445.63  ?   ?    86.484   20.834 0.000000 20.83377 
1 1 1   54   30   10 o   82.560   21.785  3459.37  1481.59   0.0000   0.0000  3459.37  1481.59  ?   ?    82.560   21.785 0.000000 21.78488 
1 1 1   54   32    0 o  142.059   25.141 10001.31  2793.81   0.0000   0.0000 10001.31  2793.81  ?   ?   142.059   25.141 0.000000 25.14091 
1 1 1   54   32    1 o  209.309   25.583 21675.63  4257.36   0.0000   0.0000 21675.63  4257.36  ?   ?   209.309   25.583 0.000000 25.58290 
1 1 1   54   32    2 o  279.277   15.912 34380.41  3593.24   0.0000   0.0000 34380.41  3593.24  ?   ?   279.277   15.912 0.000000 15.91160 
1 1 1   54   32    3 o   94.484   10.873  3811.71  818.973   0.0000   0.0000  3811.71  818.973  ?   ?    94.484   10.873 0.000000 10.87344 
1 1 1   54   32    4 o   59.327   13.593  1575.43  640.776   0.0000   0.0000  1575.43  640.776  ?   ?    59.327   13.593 0.000000 13.59344 
1 1 1   54   32    5 o  111.180   13.213  5403.11  1169.45   0.0000   0.0000  5403.11  1169.45  ?   ?   111.180   13.213 0.000000 13.21318 
1 1 1   54   32    6 o   55.272   17.219  1409.28  855.816   0.0000   0.0000  1409.28  855.816  ?   ?    55.272   17.219 0.000000 17.21855 
1 1 1   54   32    7 o   61.726   18.761  1832.15  1023.56   0.0000   0.0000  1832.15  1023.56  ?   ?    61.726   18.761 0.000000 18.76103 
1 1 1   54   32    8 o   32.312   15.018 -603.4432  950.422   0.0000   0.0000 -603.4432  950.422  ?   ?    32.312   15.018 0.000000 15.01787 
1 1 1   54   34    0 o  117.347   31.502  8443.74  3064.54   0.0000   0.0000  8443.74  3064.54  ?   ?   117.347   31.502 0.000000 31.50161 
1 1 1   54   34    1 o   53.313   23.487  506.286  1977.58   0.0000   0.0000  506.286  1977.58  ?   ?    53.313   23.487 0.000000 23.48713 
1 1 1   54   34    2 o   51.421   11.316  1176.57  459.643   0.0000   0.0000  1176.57  459.643  ?   ?    51.421   11.316 0.000000 11.31581 
1 1 1   54   34    3 o  127.858   11.860  7132.46  1217.30   0.0000   0.0000  7132.46  1217.30  ?   ?   127.858   11.860 0.000000 11.86049 
1 1 1   54   34    4 o  129.305   12.178  7341.04  1263.56   0.0000   0.0000  7341.04  1263.56  ?   ?   129.305   12.178 0.000000 12.17834 
1 1 1   54   34    5 o   80.837   14.601  3013.20  923.097   0.0000   0.0000  3013.20  923.097  ?   ?    80.837   14.601 0.000000 14.60098 
1 1 1   55    1    0 o  848.606   42.879 304597.31 29449.62 314635.00 41618.95 294531.41 41677.21  845.435   61.038  815.339   63.454 30.09546 88.04560 
1 1 1   55    1    1 o  419.868   22.083 72510.18  7502.08 76090.17 10587.04 68899.57 10632.19  427.600   30.697  406.181   32.510 21.41864 44.71272 
1 1 1   55    1    2 o  880.104   43.920 327517.09 31386.22 318976.31 44347.79 336088.00 44425.95  846.930   64.985  871.458   63.214 -24.52802 90.65907 
1 1 1   55    1    3 o  749.759   30.230 232789.70 18403.19 226057.50 22624.41 245955.09 31638.29  733.719   38.107  754.881   51.933 -21.16187 64.41455 
1 1 1   55    1    4 o  599.737   24.727 148044.41 12041.29 147367.00 20531.21 148399.50 14866.56  588.779   43.249  597.499   30.747 -8.720276 53.06473 
1 1 1   55    1    5 o  312.223   12.848 39730.82  3257.19 37889.21  4594.38 41591.76  4618.44  303.678   18.724  318.372   17.939 -14.69421 25.93049 
1 1 1   55    1    6 o  381.657   16.058 59516.04  4976.38 60609.38  6176.85 57493.82  8400.49  383.997   19.879  371.705   28.040 12.29227 34.37161 
1 1 1   55    1    7 o   69.479   9.1924  1998.30  505.853  1610.65  694.432  2436.54  738.354   61.603   14.177   76.359   12.329 -14.75652 18.78819 
1 1 1   55    1    8 o  526.170   17.559 113394.20  7501.71 115550.70 10614.16 111241.90 10603.88  528.875   24.717  518.753   25.175 10.12189 35.28022 
1 1 1   55    1    9 o  674.843   23.733 188281.09 13004.76 181748.80 18393.39 194810.70 18389.62  655.562   34.678  680.549   33.279 -24.98633 48.06345 
1 1 1   55    1   10 o  233.754   10.779 22284.82  2045.90 25703.94  2904.05 18915.64  2882.76  250.206   14.355  214.048   16.719 36.15811 22.03613 
1 1 1   55    1   11 o  316.241   12.543 40928.13  3220.77 42568.25  4575.12 39316.76  4534.85  320.809   17.631  308.086   18.209 12.72275 25.34627 
1 1 1   55    1   12 o  426.985   15.993 75255.07  5544.62 80418.45  7856.59 70131.75  7826.05  437.570   22.186  407.560   23.752 30.01080 32.50163 
1 1 1   55    1   13 o  346.982   13.884 49626.85  3911.54 49724.30  5532.84 49529.46  5530.65  344.088   19.888  343.393   19.921 0.6957092 28.14957 
1 1 1   55    1   14 o  219.711   10.707 19808.12  1910.05 19239.52  2706.77 20372.08  2695.69  214.723   15.632  221.181   15.100 -6.457779 21.73468 
1 1 1   55    1   15 o   45.543   15.425  808.772  679.172  923.311  944.577  686.174  977.244   50.436   18.117   47.589   18.172 2.846817 25.65968 
1 1 1   55    1   16 o  101.977   11.664  4348.94  948.420  5218.56  1341.08  3478.84  1341.45  110.756   15.323   88.933   19.144 21.82276 24.52095 
1 1 1   55    1   17 o  270.241   12.678 30390.05  2781.84 30423.34  3941.24 30356.98  3927.04  266.339   18.336  266.085   18.287 0.2543030 25.89693 
1 1 1   55    1   18 o   86.066   14.226  3196.03  959.421  1813.18  1272.36  5018.62  1460.71   64.559   21.094  106.978   17.416 -42.41842 27.35413 
1 1 1   55    1   19 o   55.481   17.960  1336.15  923.367  2001.43  1267.60  584.059  1347.76   66.407   20.996   50.210   20.621 16.19674 29.42829 
1 1 1   55    1   20 o   63.398   18.304  1860.76  994.752  496.051  1348.01  3492.53  1474.01   48.595   20.348   85.200   21.350 -36.60531 29.49343 
1 1 1   55    3    0 o  166.069   12.802 11302.86  1713.00 11539.88  2342.18 11030.26  2511.80  167.139   17.519  163.048   19.351 4.090836 26.10283 
1 1 1   55    3    1 o  239.889   14.605 23557.23  2831.17 22653.87  3918.95 24543.37  4094.56  234.219   20.824  243.851   20.881 -9.632492 29.48998 
1 1 1   55    3    2 o   91.684   10.657  3467.04  778.581  4586.48  1025.38  1942.84  1196.48  105.418   12.205   68.355   20.172 37.06336 23.57702 
1 1 1   55    3    3 o  366.581   16.311 54880.52  4855.04 50914.80  5984.24 62517.80  8304.56  351.788   21.047  388.529   26.482 -36.74017 33.82709 
1 1 1   55    3    4 o  106.354   8.5698  4629.62  733.778  5360.75  978.088  3688.35  1109.78  114.267   10.665   93.912   15.063 20.35468 18.45634 
1 1 1   55    3    5 o  383.141   14.412 59894.50  4483.66 58666.82  6303.01 61152.11  6379.38  377.667   20.632  385.650   20.446 -7.983582 29.04679 
1 1 1   55    3    6 o  154.096   8.3787  9685.91  1044.41  9358.81  1437.74 10051.37  1519.71  151.106   11.812  156.602   12.044 -5.495361 16.86959 
1 1 1   55    3    7 o  583.274   24.591 140376.70 11646.12 140669.09 14344.56 139811.20 19948.19  580.620   30.534  571.123   43.340 9.497192 53.01568 
1 1 1   55    3    8 o   89.102   8.6925  3260.87  620.872  2990.35  852.561  3566.34  905.960   84.684   12.798   92.713   12.341 -8.029419 17.77911 
1 1 1   55    3    9 o  356.069   13.620 51792.09  3937.68 49733.48  5575.80 53840.30  5561.68  347.173   19.862  361.504   19.014 -14.33090 27.49653 
1 1 1   55    3   10 o  220.704   10.314 19861.35  1848.23 19693.12  2625.88 20026.53  2601.87  218.767   14.871  220.672   14.604 -1.904541 20.84261 
1 1 1   55    3   11 o  272.926   14.124 30639.47  3119.18 30319.79  5863.56 30765.64  3683.62  266.771   27.462  272.784   16.712 -6.013367 32.14724 
1 1 1   55    3   12 o  238.567   11.087 23297.11  2147.65 23092.62  3071.50 23492.73  3004.10  235.920   16.131  238.122   15.624 -2.201462 22.45697 
1 1 1   55    3   13 o  120.125   9.6259  5939.29  931.003  5845.69  1334.23  6028.11  1299.72  118.233   14.181  120.236   13.549 -2.003632 19.61334 
1 1 1   55    3   14 o   58.588   13.964  1475.06  654.848  1862.16  925.160  1086.39  927.033   65.615   17.167   52.813   18.021 12.80194 24.88900 
1 1 1   55    3   15 o  104.587   11.405  4556.11  952.802  4629.32  1338.16  4480.83  1356.97  104.094   16.373  102.204   16.945 1.889900 23.56314 
1 1 1   55    3   16 o  102.300   11.953  4383.86  974.174  5783.55  1353.70  2880.37  1403.00  116.905   14.578   80.425   21.189 36.47946 25.71900 
1 1 1   55    3   17 o   42.605   15.386  653.511  682.315 -616.7033  997.481  1770.50  935.387   34.526   15.807   63.488   17.556 -28.96208 23.62360 
1 1 1   55    3   18 f   63.180   16.658  1769.34  866.747  4028.29  1161.01 -1074.6949  1302.72   96.389   15.349   37.326   17.426 59.06317 23.22209 
1 1 1   55    3   19 o  106.781   12.947  4883.84  1099.55  5186.57  1527.94  4558.68  1583.54  107.555   18.141   99.560   20.277 7.995132 27.20817 
1 1 1   55    3   20 o   89.664   15.080  3580.10  1058.92  2003.58  1369.53  5923.65  1669.78   65.400   21.905  113.402   18.792 -48.00196 28.86161 
1 1 1   55    5    0 o  152.796   8.3721  9521.79  1034.73  8501.54  1166.62 13284.22  2240.33  144.198   10.026  179.744   15.502 -35.54620 18.46178 
1 1 1   55    5    1 o  723.777   37.042 219770.30 21695.98 232030.09 30466.00 207155.41 30904.19  732.888   51.524  688.822   55.733 44.06512 75.90027 
1 1 1   55    5    2 o   59.407   10.476  1478.74  486.870  1511.89  563.810  1381.55  965.461   59.867   12.016   58.420   18.303 1.447655 21.89491 
1 1 1   55    5    3 o  446.235   19.135 81526.48  6933.24 83213.21  8513.28 78204.35 11947.68  449.304   23.417  431.783   34.363 17.52045 41.58294 
1 1 1   55    5    4 o  308.171   13.141 38714.98  3288.29 40121.04  4562.44 37195.09  4743.54  312.641   18.049  300.700   19.534 11.94073 26.59623 
1 1 1   55    5    5 o  462.269   19.844 87606.00  7448.28 91794.47 10478.21 83328.02 10589.60  470.318   27.559  447.388   29.313 22.92935 40.23363 
1 1 1   55    5    6 o  216.435   10.153 19069.46  1784.29 20409.34  2486.71 17647.55  2561.68  223.237   13.786  207.296   15.328 15.94035 20.61584 
1 1 1   55    5    7 f   71.477   10.748  2126.87  604.467  2203.38  691.367  1878.60  1245.36   72.547   12.168   67.579   20.725 4.968178 24.03258 
1 1 1   55    5    8 o  197.667   10.975 15969.82  1754.49 16082.13  2201.99 15774.56  2903.48  197.982   13.784  195.241   18.537 2.741531 23.10040 
1 1 1   55    5    9 o  265.654   11.430 28783.57  2465.42 29749.52  3500.81 27833.13  3472.61  268.998   16.102  260.070   16.531 8.928558 23.07679 
1 1 1   55    5   10 o  347.553   13.618 49438.71  3842.89 49092.18  5456.25 49779.81  5413.33  344.322   19.597  346.834   19.299 -2.511932 27.50426 
1 1 1   55    5   11 o  252.969   11.242 26166.44  2309.23 26156.70  3293.69 26175.87  3238.51  251.460   16.218  251.633   15.933 -0.1736145 22.73482 
1 1 1   55    5   12 o  105.527   12.662  4635.49  1063.24  1516.23  2698.99  5208.49  1156.79   75.138   29.766  111.878   12.975 -36.74002 32.47068 
1 1 1   55    5   13 o  146.002   9.7085  8760.46  1144.37  9209.77  1631.88  8325.70  1605.22  148.855   13.654  141.340   14.178 7.514801 19.68376 
1 1 1   55    5   14 o  188.998   10.209 14692.39  1560.79 14643.13  2222.29 14740.33  2192.60  187.379   14.725  188.090   14.468 -0.7105713 20.64311 
1 1 1   55    5   15 o   62.605   13.169  1681.47  648.184  1422.19  940.721  1915.83  894.374   58.088   18.045   66.374   16.630 -8.286480 24.53930 
1 1 1   55    5   16 o   87.709   11.955  3238.91  829.219  3121.96  1147.85  3366.56  1199.22   84.581   17.297   87.871   17.424 -3.290123 24.55139 
1 1 1   55    5   17 o   86.891   12.735  3207.40  871.819  3091.99  1159.64  3357.43  1322.16   83.755   17.611   86.809   19.261 -3.053947 26.09848 
1 1 1   55    5   18 o  102.530   12.656  4466.21  1031.25  5751.24  1348.39  2655.38  1600.67  115.712   14.682   76.038   23.525 39.67459 27.73079 
1 1 1   55    5   19 o   55.747   16.095  1382.81  769.177  830.589  999.603  2184.42  1204.35   48.569   18.418   68.793   20.220 -20.22409 27.35134 
1 1 1   55    5   20 o   69.192   16.061  2187.22  884.971  2559.00  1082.36  1437.41  1537.09   74.000   18.151   59.284   22.754 14.71593 29.10662 
1 1 1   55    7    0 o  217.828   21.416 19655.71  3738.82   0.0000   0.0000 19655.71  3738.82  ?   ?   217.828   21.416 0.000000 21.41575 
1 1 1   55    7    1 f  132.366   18.884  7314.30  1972.05   0.0000   0.0000  7314.30  1972.05  ?   ?   132.366   18.884 0.000000 18.88391 
1 1 1   55    7    2 o  374.710   29.277 58503.87  8836.96   0.0000   0.0000 58503.87  8836.96  ?   ?   374.710   29.277 0.000000 29.27745 
1 1 1   55    7    3 o  507.495   26.035 106556.20 10692.08 117079.80 15505.61 97015.98 14763.45  527.399   36.432  478.979   38.280 48.42001 52.84571 
1 1 1   55    7    4 o  261.616   11.816 27884.45  2510.06 28998.21  3443.36 26621.53  3666.69  265.927   16.022  254.441   17.861 11.48528 23.99419 
1 1 1   55    7    5 o  388.595   18.877 61879.45  5956.31 66881.86  7174.77 50787.13 10683.90  402.748   22.023  345.028   38.810 57.72000 44.62323 
1 1 1   55    7    6 o  462.441   16.278 87456.91  6112.03 90189.14  8608.41 84679.41  8679.46  468.017   22.653  452.609   23.700 15.40799 32.78462 
1 1 1   55    7    7 o  481.545   17.197 94965.70  6724.09 99485.61  9502.72 90433.27  9515.88  490.913   23.840  466.959   25.191 23.95377 34.68314 
1 1 1   55    7    8 o   67.603   9.0972  1893.79  486.682  1075.18  634.767  3061.36  758.080   50.734   14.614   85.954   11.123 -35.22054 18.36521 
1 1 1   55    7    9 f  274.136   14.198 30829.07  3149.59 29984.24  3917.71 32372.90  5295.99  269.493   18.008  278.436   23.649 -8.943298 29.72450 
1 1 1   55    7   10 o  260.033   11.506 27629.44  2429.38 27439.70  3460.30 27813.87  3411.54  257.724   16.624  259.576   16.269 -1.852112 23.26013 
1 1 1   55    7   11 o   36.464   12.020  519.845  412.835  596.663  502.062  359.468  725.435   39.414   13.263   39.199   15.462 0.2151413 20.37120 
1 1 1   55    7   12 o   61.011   16.224  1595.63  817.598  712.441  2240.72  1731.27  878.143   64.456   26.543   63.492   16.780 0.9640579 31.40256 
1 1 1   55    7   13 o  192.678   10.081 15249.17  1571.67 14711.95  2226.62 15782.60  2218.76  188.015   14.702  194.959   14.112 -6.943253 20.37879 
1 1 1   55    7   14 o  302.420   13.120 37796.38  3221.63 37049.79  4597.03 38516.93  4516.20  295.885   19.239  302.168   18.496 -6.283875 26.68794 
1 1 1   55    7   15 f  219.202   10.870 19787.52  1934.78 19571.35  2760.06 19996.37  2712.93  215.755   15.866  218.310   15.404 -2.554764 22.11357 
1 1 1   55    7   16 o   56.971   13.895  1406.61  637.016  1717.39  868.640  1045.00  936.993   62.686   16.748   51.881   18.098 10.80447 24.65799 
1 1 1   55    7   17 o  125.021   10.741  6517.23  1079.74  7155.60  1463.68  5755.09  1599.29  129.852   14.109  114.855   17.719 14.99615 22.65020 
1 1 1   55    7   18 o  220.532   11.921 20405.65  2126.74 21643.86  2984.62 19128.46  3031.24  223.857   16.537  209.221   18.019 14.63632 24.45754 
1 1 1   55    7   19 o   28.455   13.188 -545.1392  725.096 -414.5795  887.054 -808.0407  1258.76   33.243   15.098   37.634   17.419 -4.390965 23.05163 
1 1 1   55    7   20 o   53.321   17.079  1281.06  836.676  860.560  1081.97  1906.51  1319.57   48.965   19.009   63.543   21.501 -14.57873 28.69893 
1 1 1   55    9    3 o  194.626   25.003 15873.07  3859.83 15873.07  3859.83   0.0000   0.0000  194.626   25.003  ?   ?  0.000000 25.00286 
1 1 1   55    9    4 o  253.595   16.620 26413.86  3403.30 28660.81  5203.07 24733.68  4499.25  262.440   24.708  244.058   22.975 18.38196 33.73899 
1 1 1   55    9    5 o   75.661   8.4786  2357.82  511.917  2174.99  560.489  3277.62  1257.16   72.446   9.7781   87.849   18.222 -15.40296 20.67975 
1 1 1   55    9    6 o  373.009   14.542 56841.39  4404.20 57881.33  6175.23 55764.81  6283.12  374.749   20.371  367.602   21.139 7.147278 29.35722 
1 1 1   55    9    7 o  363.187   13.566 53869.66  4000.54 56375.62  5627.09 51308.55  5688.65  370.076   18.788  352.699   19.946 17.37701 27.40112 
1 1 1   55    9    8 o  267.863   12.093 29286.50  2630.20 31062.54  3701.80 27475.76  3737.78  274.714   16.675  258.018   17.953 16.69595 24.50217 
1 1 1   55    9    9 o  219.275   12.423 19716.44  2202.68 19797.19  2726.75 19564.80  3736.84  219.138   15.423  216.284   21.566 2.854019 26.51342 
1 1 1   55    9   10 o  176.508   9.2842 12744.76  1325.92 11696.37  1836.76 13885.58  1916.01  168.335   13.553  183.629   12.933 -15.29471 18.73358 
1 1 1   55    9   11 o  160.654   9.1238 10572.66  1185.25  9657.97  1641.56 11568.83  1713.12  152.722   13.373  167.400   12.698 -14.67795 18.44094 
1 1 1   55    9   12 o  272.927   12.185 30613.56  2700.28 30151.36  3857.53 31057.65  3781.17  268.476   17.796  272.778   17.159 -4.301483 24.72155 
1 1 1   55    9   13 f  304.142   12.557 38124.77  3100.94 37199.56  4432.31 39011.83  4339.94  297.350   18.449  305.008   17.599 -7.657837 25.49668 
1 1 1   55    9   14 o  270.833   12.227 30276.55  2688.74 30270.10  3837.00 30282.78  3768.82  267.860   17.742  268.105   17.407 -0.2446594 24.85537 
1 1 1   55    9   15 o   48.221   13.971  989.287  578.628  854.428  697.147  1287.90  1037.39   46.452   15.628   56.490   19.064 -10.03835 24.65141 
1 1 1   55    9   16 o   90.374   11.705  3438.38  838.708  3204.35  1081.47  3791.54  1328.51   85.888   16.099   92.860   18.271 -6.971237 24.35136 
1 1 1   55    9   17 o   49.297   15.306  1032.19  676.879  779.900  847.078  1477.85  1125.82   46.600   17.095   59.237   19.861 -12.63736 26.20460 
1 1 1   55    9   18 o   56.323   15.123  1404.02  706.190  1281.55  901.971  1598.01  1135.18   54.577   17.757   60.462   19.932 -5.884853 26.69454 
1 1 1   55    9   19 o   95.074   12.475  3898.26  939.758  4241.55  1218.82  3394.96  1475.78   97.539   15.940   84.178   21.511 13.36090 26.77365 
1 1 1   55    9   20 o   77.840   15.091  2751.00  919.386  2736.63  1097.01  2784.92  1685.26   76.042   18.039   73.623   24.287 2.419556 30.25360 
1 1 1   55   11    3 o  293.780   25.093 35915.75  5928.36   0.0000   0.0000 35915.75  5928.36  ?   ?   293.780   25.093 0.000000 25.09342 
1 1 1   55   11    4 o  103.258   20.835  4537.17  1686.61   0.0000   0.0000  4537.17  1686.61  ?   ?   103.258   20.835 0.000000 20.83514 
1 1 1   55   11    5 o   90.519   21.254  3505.83  1535.48   0.0000   0.0000  3505.83  1535.48  ?   ?    90.519   21.254 0.000000 21.25446 
1 1 1   55   11    6 o  230.535   13.584 21781.97  2531.58 22149.24  4964.00 21652.87  2943.08  229.308   27.191  229.452   15.895 -0.1431580 31.49560 
1 1 1   55   11    7 o  272.203   10.860 30211.97  2400.21 31822.19  3323.21 28455.99  3470.38  278.474   14.750  262.966   16.334 15.50830 22.00805 
1 1 1   55   11    8 o  217.768   11.012 19402.93  1940.80 21844.27  2692.64 16763.17  2799.92  230.476   14.462  201.182   17.309 29.29359 22.55519 
1 1 1   55   11    9 o  177.025   9.3358 12817.33  1337.16 13282.71  1822.66 12274.90  1967.73  179.689   12.572  172.387   14.184 7.301132 18.95324 
1 1 1   55   11   10 o  334.620   13.215 45984.78  3590.66 44156.48  5098.57 47783.81  5057.59  325.226   19.396  338.798   18.455 -13.57220 26.77243 
1 1 1   55   11   11 o   9.5542   4.8385 -666.0775  187.665 -714.9724  194.695 -25.4127  704.753   9.5964   4.8672   33.669   14.428 -24.07306 15.22712 
1 1 1   55   11   12 o   71.770   8.9432  2138.35  509.858  2165.92  616.368  2078.61  907.366   71.866   10.905   69.361   16.374 2.504295 19.67316 
1 1 1   55   11   13 o  146.219   13.096  8903.31  1538.40  8038.84  3966.33  9056.39  1669.06  129.684   36.256  147.178   14.141 -17.49486 38.91614 
1 1 1   55   11   14 o   87.781   9.6802  3200.94  678.490  3255.82  831.064  3091.23  1174.93   88.033   11.934   84.202   17.745 3.831810 21.38464 
1 1 1   55   11   15 o   42.854   13.893  746.244  552.361  1097.49  664.913 -35.9572  992.239   50.755   15.053   39.439   17.013 11.31566 22.71660 
1 1 1   55   11   16 o  131.448   9.8846  7168.85  1047.28  6768.46  1351.43  7770.78  1656.99  126.588   13.349  134.901   15.404 -8.313805 20.38332 
1 1 1   55   11   17 o  124.786   10.079  6493.89  1012.52  5865.97  1281.45  7537.35  1651.92  117.237   13.721  132.141   15.704 -14.90429 20.85368 
1 1 1   55   11   18 f  164.592   10.314 11345.38  1371.39 10519.56  1822.83 12422.43  2081.73  156.133   14.546  169.231   15.316 -13.09836 21.12244 
1 1 1   55   11   19 o  109.985   10.949  5153.79  964.810  4351.40  1181.28  6761.58  1672.14   98.862   15.203  122.151   17.347 -23.28880 23.06570 
1 1 1   55   13    0 o  564.056   43.487 137463.09 19763.06   0.0000   0.0000 137463.09 19763.06  ?   ?   564.056   43.487 0.000000 43.48682 
1 1 1   55   13    1 o  281.435   25.783 33076.86  5826.24   0.0000   0.0000 33076.86  5826.24  ?   ?   281.435   25.783 0.000000 25.78262 
1 1 1   55   13    4 o  213.562   27.954 19288.14  4731.04 19288.14  4731.04   0.0000   0.0000  213.562   27.954  ?   ?  0.000000 27.95415 
1 1 1   55   13    6 o  344.303   28.280 49916.39  7836.18   0.0000   0.0000 49916.39  7836.18  ?   ?   344.303   28.280 0.000000 28.27995 
1 1 1   55   13    7 o   47.770   14.851  930.054  637.042   0.0000   0.0000  930.054  637.042  ?   ?    47.770   14.851 0.000000 14.85138 
1 1 1   55   13    8 o  231.666   13.193 22063.30  2471.38 29289.26  5202.33 19957.31  2808.52  263.274   24.622  219.679   15.852 43.59549 29.28352 
1 1 1   55   13    9 o  137.429   12.296  7803.73  1357.64  7108.94  3437.43  7932.14  1477.78  125.580   33.204  138.358   13.319 -12.77840 35.77607 
1 1 1   55   13   10 o  195.859   10.570 15753.82  1674.74 14618.63  2011.01 18322.73  3025.20  188.027   13.257  209.108   17.993 -21.08133 22.34912 
1 1 1   55   13   11 o   45.912   9.6280  894.785  347.457  625.890  379.201  2302.13  867.516   38.701   11.338   73.277   15.083 -34.57610 18.86930 
1 1 1   55   13   12 o   55.770   8.9757  1304.45  392.656  1156.85  431.209  2020.92  950.041   52.172   10.542   68.231   17.164 -16.05928 20.14278 
1 1 1   55   13   13 o  104.221   13.987  4584.98  1153.73 -481.6262  3709.25  5127.67  1213.95   71.464   31.790  110.348   13.854 -38.88329 34.67753 
1 1 1   55   13   14 o  145.115   9.2834  8682.75  1088.11  9178.26  1446.90  8037.71  1650.84  148.432   12.111  137.895   14.985 10.53612 19.26738 
1 1 1   55   13   15 o  171.544   9.5622 12155.69  1326.60 11356.61  1784.18 13143.63  1983.87  164.399   13.485  176.736   13.938 -12.33656 19.39318 
1 1 1   55   13   16 o  138.020   9.6940  7907.96  1079.50  7784.56  1372.59  8108.07  1747.83  135.922   12.580  137.249   15.983 -1.327759 20.33973 
1 1 1   55   13   17 o   77.725   10.567  2558.84  649.581  2165.73  740.746  3867.55  1351.54   70.517   13.427   92.560   18.628 -22.04269 22.96308 
1 1 1   55   13   18 o   66.084   11.720  1893.67  605.849  2000.06  675.427  1455.62  1370.53   67.590   12.775   59.070   21.733 8.520168 25.20969 
1 1 1   55   13   19 o   94.409   10.581  3814.32  797.139  3895.92  944.911  3612.93  1484.56   94.428   12.641   85.594   21.414 8.833794 24.86684 
1 1 1   55   15    0 o  386.730   32.017 63299.90  9963.44   0.0000   0.0000 63299.90  9963.44  ?   ?   386.730   32.017 0.000000 32.01743 
1 1 1   55   15    1 o  137.753   22.948  8044.87  2476.44   0.0000   0.0000  8044.87  2476.44  ?   ?   137.753   22.948 0.000000 22.94791 
1 1 1   55   15    2 o  454.368   35.930 88141.23 13147.47   0.0000   0.0000 88141.23 13147.47  ?   ?   454.368   35.930 0.000000 35.92967 
1 1 1   55   15    3 o  182.720   22.129 13988.41  3216.13   0.0000   0.0000 13988.41  3216.13  ?   ?   182.720   22.129 0.000000 22.12872 
1 1 1   55   15    4 o  479.361   27.014 96227.84 10471.53 92148.28 15345.77 99782.66 14324.84  459.643   41.568  481.915   36.889 -22.27173 55.57544 
1 1 1   55   15    5 o  153.350   29.022 10184.49  3481.35 10184.49  3481.35   0.0000   0.0000  153.350   29.022  ?   ?  0.000000 29.02211 
1 1 1   55   15    6 o  448.661   39.644 88519.21 14293.56 88519.21 14293.56   0.0000   0.0000  448.661   39.644  ?   ?  0.000000 39.64378 
1 1 1   55   15    7 o  137.792   18.232  7984.19  1989.69   0.0000   0.0000  7984.19  1989.69  ?   ?   137.792   18.232 0.000000 18.23154 
1 1 1   55   15    8 o  186.135   14.143 14336.73  2121.58   0.0000   0.0000 14336.73  2121.58  ?   ?   186.135   14.143 0.000000 14.14340 
1 1 1   55   15    9 o   80.582   14.417  2756.97  908.637   0.0000   0.0000  2756.97  908.637  ?   ?    80.582   14.417 0.000000 14.41651 
1 1 1   55   15   10 o  182.423   16.995 13972.32  2488.37 15348.82  4667.38 13425.69  2941.25  183.885   32.446  177.344   20.822 6.541550 38.55245 
1 1 1   55   15   11 o  153.183   13.131  9761.13  1617.39  2769.48  4374.94 10867.99  1740.71   93.520   37.611  161.618   13.385 -68.09745 39.92197 
1 1 1   55   15   12 o   49.378   17.245  926.073  850.857  2417.48  3281.44  818.573  880.989   84.141   32.982   48.088   17.465 36.05298 37.32035 
1 1 1   55   15   13 o   62.055   17.454  1673.10  916.354  2860.85  3661.82  1593.75  946.468   88.445   34.787   60.785   17.942 27.65961 39.14122 
1 1 1   55   15   14 o   34.971   10.393  511.685  316.716  674.163  340.932 -511.6736  855.629   39.705   10.437   32.235   14.713 7.470650 18.03911 
1 1 1   55   15   15 o  119.182   9.2054  5887.77  883.922  6613.79  1102.59  4581.86  1478.74  125.858   10.897  101.801   18.574 24.05683 21.53449 
1 1 1   55   15   16 o   73.736   9.5678  2286.42  559.329  2553.78  621.242  1142.06  1285.27   77.856   10.063   55.764   20.943 22.09184 23.23524 
1 1 1   55   15   17 o  121.899   9.4959  6215.22  932.475  6174.52  1129.67  6302.26  1651.89  120.601   11.683  118.682   17.682 1.919205 21.19260 
1 1 1   55   15   18 o   79.770   10.107  2712.15  639.935  2741.70  707.676  2579.56  1498.86   79.776   11.236   72.475   22.821 7.301086 25.43750 
1 1 1   55   17    0 o  514.909   41.446 116018.90 17181.26   0.0000   0.0000 116018.90 17181.26  ?   ?   514.909   41.446 0.000000 41.44574 
1 1 1   55   17    1 f  108.751   23.800  5099.59  2043.28   0.0000   0.0000  5099.59  2043.28  ?   ?   108.751   23.800 0.000000 23.80048 
1 1 1   55   17    2 o  403.889   33.378 69857.27 10848.03   0.0000   0.0000 69857.27 10848.03  ?   ?   403.889   33.378 0.000000 33.37791 
1 1 1   55   17    3 o  146.505   22.534  9109.73  2594.74   0.0000   0.0000  9109.73  2594.74  ?   ?   146.505   22.534 0.000000 22.53447 
1 1 1   55   17    4 o  199.655   17.722 16563.01  2843.09 15637.92  4614.44 17129.08  3609.62  189.583   31.052  201.713   22.418 -12.12975 38.29868 
1 1 1   55   17    5 f  201.824   17.789 16958.03  2885.32 15033.43  4683.65 18135.15  3662.89  184.728   32.408  207.413   22.089 -22.68533 39.21983 
1 1 1   55   17    6 o  196.107   17.886 16062.52  2816.68 16076.54  4649.33 16054.40  3540.33  191.087   31.030  194.369   22.870 -3.282410 38.54731 
1 1 1   55   17    7 o   62.978   17.215  1698.81  905.473  6893.92  2573.25  964.651  967.339  125.057   26.181   51.588   18.354 73.46972 31.97418 
1 1 1   55   17    8 o   47.846   16.458  872.130  773.559  2232.78  3046.77  778.376  799.766   82.639   31.950   46.638   16.679 36.00155 36.04108 
1 1 1   55   17    9 o  102.926   17.834  4545.01  1436.43   0.0000   0.0000  4545.01  1436.43  ?   ?   102.926   17.834 0.000000 17.83393 
1 1 1   55   17   10 f   69.825   23.040  2029.45  1516.65   0.0000   0.0000  2029.45  1516.65  ?   ?    69.825   23.040 0.000000 23.04037 
1 1 1   55   17   11 o   64.422   17.888  1802.03  968.950   0.0000   0.0000  1802.03  968.950  ?   ?    64.422   17.888 0.000000 17.88791 
1 1 1   55   17   12 o  108.350   13.931  4962.10  1197.20   25.472  4404.43  5355.95  1244.04   78.658   34.832  112.641   13.897 -33.98270 37.50150 
1 1 1   55   17   13 o  287.607   16.688 35102.01  3880.41 28006.58  8737.04 36845.53  4331.00  222.381   49.644  293.439   18.268 -71.05844 52.89838 
1 1 1   55   17   14 o   37.432   16.532 -218.5183  985.698 -3339.0010  3617.11   31.803  1024.47   58.283   27.756   40.497   17.376 17.78677 32.74660 
1 1 1   55   17   15 o   72.277   19.980  2373.96  1211.74  5067.39  5211.24  2220.01  1245.89  100.498   40.826   69.990   20.565 30.50806 45.71269 
1 1 1   55   17   16 o   31.753   14.880 -855.4961  964.882  1516.55  5563.37 -929.0593  979.729   83.421   37.859   31.591   14.864 51.83086 40.67244 
1 1 1   55   17   17 o   98.639   20.328  4589.95  1573.91  1291.62  5988.04  4834.73  1631.27   80.104   37.385  101.139   20.565 -21.03520 42.66790 
1 1 1   55   17   18 o  107.685   21.577  5714.69  1820.86   0.0000   0.0000  5714.69  1820.86  ?   ?   107.685   21.577 0.000000 21.57684 
1 1 1   55   19    0 o  260.165   27.615 28921.43  5744.33   0.0000   0.0000 28921.43  5744.33  ?   ?   260.165   27.615 0.000000 27.61483 
1 1 1   55   19    1 o  149.658   25.696  9669.28  3010.04   0.0000   0.0000  9669.28  3010.04  ?   ?   149.658   25.696 0.000000 25.69598 
1 1 1   55   19    2 o  242.396   25.806 25045.17  5000.99   0.0000   0.0000 25045.17  5000.99  ?   ?   242.396   25.806 0.000000 25.80613 
1 1 1   55   19    3 o  178.541   23.673 13611.69  3347.29   0.0000   0.0000 13611.69  3347.29  ?   ?   178.541   23.673 0.000000 23.67338 
1 1 1   55   19    4 o   82.097   20.892  2925.93  1396.12  7987.40  2772.95  1207.21  1615.87  135.014   26.240   61.878   23.429 73.13617 35.17708 
1 1 1   55   19    5 o  136.516   19.093  7914.81  2058.50  6846.38  3609.46  8429.83  2505.98  122.359   34.720  139.707   22.884 -17.34824 41.58337 
1 1 1   55   19    6 o  151.806   18.946  9774.75  2284.50  6056.23  4650.89 10957.24  2622.70  116.429   40.337  160.240   20.637 -43.81104 45.31001 
1 1 1   55   19    7 o  153.898   12.370  9812.22  1532.65 12224.14  4710.97  9526.72  1620.82  161.048   36.827  151.386   13.322 9.662445 39.16241 
1 1 1   55   19    8 o  187.350   13.096 14564.89  1979.62 16771.74  5367.57 14217.45  2129.75  188.837   36.326  184.704   14.313 4.133240 39.04372 
1 1 1   55   19    9 o  118.265   16.671  5957.40  1556.49 13383.05  5049.04  5177.60  1636.18  165.934   38.257  109.307   19.132 56.62628 42.77453 
1 1 1   55   19   10 o  101.560   38.572  4371.23  4388.33  4371.23  4388.33   0.0000   0.0000  101.560   38.572  ?   ?  0.000000 38.57213 
1 1 1   55   19   11 o  141.318   19.474  8661.66  2175.24   0.0000   0.0000  8661.66  2175.24  ?   ?   141.318   19.474 0.000000 19.47439 
1 1 1   55   19   12 o  228.148   16.025 22068.62  2949.77   0.0000   0.0000 22068.62  2949.77  ?   ?   228.148   16.025 0.000000 16.02496 
1 1 1   55   19   13 o  169.826   15.719 12313.54  2142.91   0.0000   0.0000 12313.54  2142.91  ?   ?   169.826   15.719 0.000000 15.71861 
1 1 1   55   19   14 o   54.214   19.863  1115.28  1143.06 -5594.6660  4553.89  1566.46  1180.86   59.875   29.156   60.532   20.340 -0.6571312 35.54959 
1 1 1   55   19   15 o   73.834   20.594  2531.20  1281.25 10311.06  6261.24  2191.18  1308.95  121.630   46.103   68.979   21.263 52.65086 50.76963 
1 1 1   55   19   16 o   87.132   19.910  3571.98  1377.82   0.0000   0.0000  3571.98  1377.82  ?   ?    87.132   19.910 0.000000 19.91024 
1 1 1   55   19   17 o   39.076   17.779 -424.2216  1237.08   0.0000   0.0000 -424.2216  1237.08  ?   ?    39.076   17.779 0.000000 17.77929 
1 1 1   55   21    0 o  162.204   28.084 11614.38  3564.90   0.0000   0.0000 11614.38  3564.90  ?   ?   162.204   28.084 0.000000 28.08443 
1 1 1   55   21    1 o  191.827   26.973 16066.80  4085.23   0.0000   0.0000 16066.80  4085.23  ?   ?   191.827   26.973 0.000000 26.97343 
1 1 1   55   21    2 o  334.704   31.604 49607.68  8487.29   0.0000   0.0000 49607.68  8487.29  ?   ?   334.704   31.604 0.000000 31.60387 
1 1 1   55   21    3 o   94.272   24.904  3939.78  1934.80   0.0000   0.0000  3939.78  1934.80  ?   ?    94.272   24.904 0.000000 24.90417 
1 1 1   55   21    4 o  213.033   25.345 19744.10  4297.98   0.0000   0.0000 19744.10  4297.98  ?   ?   213.033   25.345 0.000000 25.34461 
1 1 1   55   21    5 o  163.017   20.755 11401.27  2684.92 12741.23  5281.07 10934.20  3117.95  161.797   40.339  157.656   25.206 4.141586 47.56641 
1 1 1   55   21    6 o  160.366   12.190 10661.75  1575.34 14438.61  5206.53 10281.14  1652.81  173.387   38.029  157.219   13.066 16.16762 40.21070 
1 1 1   55   21    7 o  152.456   11.517  9629.23  1415.12 16277.18  5296.40  9118.16  1468.51  184.619   36.625  148.116   12.322 36.50330 38.64230 
1 1 1   55   21    8 o   77.923   14.453  2602.93  880.805  3174.56  3927.92  2572.66  903.822   92.307   36.112   77.337   14.934 14.97030 39.07769 
1 1 1   55   21    9 o   49.708   16.544  995.058  781.390  1196.14  4342.90  988.331  794.354   83.376   35.775   49.711   16.683 33.66486 39.47371 
1 1 1   55   21   10 o   72.083   17.492  2287.11  1013.43  4101.04  5759.91  2229.17  1029.49  102.795   42.467   71.110   17.856 31.68452 46.06841 
1 1 1   55   21   11 o  118.922   19.192  6211.28  1790.07 18080.60  6655.09  5285.58  1858.56  179.663   45.556  108.329   21.883 71.33362 50.53886 
1 1 1   55   21   12 o   49.333   19.486  683.096  1153.57 -7292.9668  5348.35  1072.25  1181.38   63.211   30.955   54.284   20.139 8.926609 36.92936 
1 1 1   55   21   13 o  108.382   22.362  5426.62  1902.59   0.0000   0.0000  5426.62  1902.59  ?   ?   108.382   22.362 0.000000 22.36175 
1 1 1   55   21   14 o   55.405   20.377  1207.69  1204.64   0.0000   0.0000  1207.69  1204.64  ?   ?    55.405   20.377 0.000000 20.37668 
1 1 1   55   21   15 o   95.439   21.429  4352.12  1619.93   0.0000   0.0000  4352.12  1619.93  ?   ?    95.439   21.429 0.000000 21.42896 
1 1 1   55   21   16 o   63.797   21.995  1945.19  1382.02   0.0000   0.0000  1945.19  1382.02  ?   ?    63.797   21.995 0.000000 21.99502 
1 1 1   55   23    0 o  258.998   14.553 27939.86  3047.99   0.0000   0.0000 27939.86  3047.99  ?   ?   258.998   14.553 0.000000 14.55264 
1 1 1   55   23    1 o  322.435   33.041 47509.26  8528.13   0.0000   0.0000 47509.26  8528.13  ?   ?   322.435   33.041 0.000000 33.04072 
1 1 1   55   23    2 o  177.832   26.663 14065.89  3731.25   0.0000   0.0000 14065.89  3731.25  ?   ?   177.832   26.663 0.000000 26.66265 
1 1 1   55   23    3 o   89.852   27.978  3601.88  2259.82   0.0000   0.0000  3601.88  2259.82  ?   ?    89.852   27.978 0.000000 27.97783 
1 1 1   55   23    4 o  156.978   26.718 11058.08  3283.50   0.0000   0.0000 11058.08  3283.50  ?   ?   156.978   26.718 0.000000 26.71796 
1 1 1   55   23    5 o   98.142   11.376  4022.41  889.719  6098.62  4338.33  3931.25  909.042  113.095   38.971   96.908   11.796 16.18707 40.71722 
1 1 1   55   23    6 o   12.976   6.5102 -872.3751  298.305 -4008.8750  4470.86 -858.3495  298.971   65.595   31.129   13.080   6.5564 52.51412 31.81155 
1 1 1   55   23    7 o   33.998   13.300  297.243  532.786 -1376.7760  4897.45  317.293  535.967   76.842   35.122   34.410   13.373 42.43250 37.58221 
1 1 1   55   23    8 o   78.058   14.859  2631.36  907.378 -708.5537  4607.42  2766.12  925.504   76.561   34.627   80.104   14.774 -3.543877 37.64706 
1 1 1   55   23    9 o   84.380   26.263  3258.38  1991.48  5338.01  5021.87  2870.31  2169.34  105.849   40.992   80.582   27.567 25.26746 49.39869 
1 1 1   55   23   10 o  137.239   15.420  8055.62  1688.56 15199.36  7653.59  7690.11  1731.22  152.976   51.781  133.668   16.288 19.30785 54.28261 
1 1 1   55   23   11 o  108.178   17.085  5126.86  1450.90 11176.47  6637.13  4823.26  1486.86  132.005   47.938  104.361   18.209 27.64355 51.27968 
1 1 1   55   23   12 o  220.612   15.484 20930.81  2756.01 28199.83 10209.91 20359.53  2862.27  184.998   59.704  216.855   16.376 -31.85690 61.90878 
1 1 1   55   23   13 o  190.164   20.879 16533.64  3170.79 26448.20  9221.00 15204.09  3376.70  176.478   56.716  179.461   23.757 -2.983047 61.49073 
1 1 1   55   23   14 o   70.973   25.127  2419.31  1810.73   0.0000   0.0000  2419.31  1810.73  ?   ?    70.973   25.127 0.000000 25.12663 
1 1 1   55   23   15 o   55.383   21.638  1216.18  1408.96   0.0000   0.0000  1216.18  1408.96  ?   ?    55.383   21.638 0.000000 21.63849 
1 1 1   55   25    0 o  237.550   13.224 23527.82  2540.52   0.0000   0.0000 23527.82  2540.52  ?   ?   237.550   13.224 0.000000 13.22368 
1 1 1   55   25    1 o  160.359   10.898 10656.16  1410.62   0.0000   0.0000 10656.16  1410.62  ?   ?   160.359   10.898 0.000000 10.89840 
1 1 1   55   25    2 o  130.630   12.569  7139.27  1316.68   0.0000   0.0000  7139.27  1316.68  ?   ?   130.630   12.569 0.000000 12.56880 
1 1 1   55   25    3 o   36.899   12.821  511.527  469.983   0.0000   0.0000  511.527  469.983  ?   ?    36.899   12.821 0.000000 12.82052 
1 1 1   55   25    4 o   79.732   13.652  2718.71  852.037   0.0000   0.0000  2718.71  852.037  ?   ?    79.732   13.652 0.000000 13.65195 
1 1 1   55   25    5 o   46.228   14.605  887.520  613.466   0.0000   0.0000  887.520  613.466  ?   ?    46.228   14.605 0.000000 14.60501 
1 1 1   55   25    6 o  120.825   12.449  6131.16  1203.87 13344.96  5565.43  5777.04  1233.07  156.942   42.588  117.004   13.211 39.93843 44.58968 
1 1 1   55   25    7 o   42.020   15.522  605.950  700.258  7807.04  5994.27  506.316  705.086  119.249   45.131   40.518   15.444 78.73049 47.70025 
1 1 1   55   25    8 o   27.542   12.833 -612.6380  700.877 -3975.0940  6335.81 -570.9814  705.205   76.822   36.626   27.990   12.984 48.83223 38.85976 
1 1 1   55   25    9 o   82.009   17.847  3001.00  1154.66  1869.18  5989.57  3044.69  1176.73   90.272   40.259   82.541   18.060 7.730438 44.12417 
1 1 1   55   25   10 o   52.129   18.958  1041.31  1038.50 -1486.7490  7853.68  1086.30  1047.70   86.721   41.184   52.826   19.067 33.89493 45.38383 
1 1 1   55   25   11 o   52.860   19.820  1038.64  1150.11 -3316.1211  9091.68  1109.46  1159.43   85.064   41.370   53.831   19.955 31.23324 45.93144 
1 1 1   55   25   12 o   33.862   15.903 -968.9451  1112.18   0.0000   0.0000 -968.9451  1112.18  ?   ?    33.862   15.903 0.000000 15.90269 
1 1 1   55   25   13 o  131.839   18.316  7977.33  1907.75   0.0000   0.0000  7977.33  1907.75  ?   ?   131.839   18.316 0.000000 18.31602 
1 1 1   55   25   14 o  115.502   19.702  6389.77  1781.41   0.0000   0.0000  6389.77  1781.41  ?   ?   115.502   19.702 0.000000 19.70168 
1 1 1   55   27    0 o   96.239   18.161  4084.10  1367.16   0.0000   0.0000  4084.10  1367.16  ?   ?    96.239   18.161 0.000000 18.16149 
1 1 1   55   27    1 f  103.252   9.3880  4428.25  778.468   0.0000   0.0000  4428.25  778.468  ?   ?   103.252   9.3880 0.000000 9.388013 
1 1 1   55   27    2 o  360.342   17.222 55419.50  5039.00   0.0000   0.0000 55419.50  5039.00  ?   ?   360.342   17.222 0.000000 17.22230 
1 1 1   55   27    3 o  254.551   14.156 27307.63  2914.26   0.0000   0.0000 27307.63  2914.26  ?   ?   254.551   14.156 0.000000 14.15579 
1 1 1   55   27    4 o  188.248   13.448 14925.29  2042.07   0.0000   0.0000 14925.29  2042.07  ?   ?   188.248   13.448 0.000000 13.44843 
1 1 1   55   27    5 o  163.469   12.829 11246.99  1689.15   0.0000   0.0000 11246.99  1689.15  ?   ?   163.469   12.829 0.000000 12.82915 
1 1 1   55   27    6 o  176.229   13.453 13129.32  1910.42 29310.36  8936.60 12354.43  1955.63  215.007   51.802  170.508   14.256 44.49878 53.72821 
1 1 1   55   27    7 o  148.952   14.348  9475.84  1713.88 18674.61  8693.30  9103.85  1748.19  157.031   55.106  145.645   14.997 11.38586 57.11027 
1 1 1   55   27    8 o  188.005   14.430 15115.09  2185.96 29493.41  9777.87 14358.66  2242.72  196.212   57.599  182.673   15.260 13.53830 59.58607 
1 1 1   55   27    9 o   40.128   16.654  269.082  891.622  5034.42  8629.65  217.662  896.420  100.198   46.101   39.626   16.593 60.57212 48.99618 
1 1 1   55   27   10 o   49.087   19.024  816.470  1082.32   0.0000   0.0000  816.470  1082.32  ?   ?    49.087   19.024 0.000000 19.02436 
1 1 1   55   27   11 o   94.387   19.901  4203.40  1477.15   0.0000   0.0000  4203.40  1477.15  ?   ?    94.387   19.901 0.000000 19.90106 
1 1 1   55   27   12 f   79.967   22.655  3229.71  1538.05   0.0000   0.0000  3229.71  1538.05  ?   ?    79.967   22.655 0.000000 22.65536 
1 1 1   55   27   13 f   76.685   24.217  3155.54  1686.76   0.0000   0.0000  3155.54  1686.76  ?   ?    76.685   24.217 0.000000 24.21668 
1 1 1   55   29    0 o   76.641   21.601  2714.29  1401.99   0.0000   0.0000  2714.29  1401.99  ?   ?    76.641   21.601 0.000000 21.60118 
1 1 1   55   29    1 o   79.124   9.3685  2624.48  590.196   0.0000   0.0000  2624.48  590.196  ?   ?    79.124   9.3685 0.000000 9.368456 
1 1 1   55   29    2 o  125.775   10.419  6618.01  1054.47   0.0000   0.0000  6618.01  1054.47  ?   ?   125.775   10.419 0.000000 10.41910 
1 1 1   55   29    3 o  104.948   11.060  4640.81  928.317   0.0000   0.0000  4640.81  928.317  ?   ?   104.948   11.060 0.000000 11.06042 
1 1 1   55   29    4 o   27.451   11.685   21.436  456.634   0.0000   0.0000   21.436  456.634  ?   ?    27.451   11.685 0.000000 11.68462 
1 1 1   55   29    5 o  204.971   14.173 17961.05  2344.31   0.0000   0.0000 17961.05  2344.31  ?   ?   204.971   14.173 0.000000 14.17288 
1 1 1   55   29    6 o   99.147   31.061  5172.26  2780.52   0.0000   0.0000  5172.26  2780.52  ?   ?    99.147   31.061 0.000000 31.06076 
1 1 1   55   29    7 o   39.781   16.463  286.148  867.707  5858.21  9564.32  239.905  871.300  100.107   46.892   39.310   16.401 60.79718 49.67719 
1 1 1   55   29    8 o  143.808   16.289  9165.29  1868.46   0.0000   0.0000  9165.29  1868.46  ?   ?   143.808   16.289 0.000000 16.28882 
1 1 1   55   29    9 o  132.815   17.488  8004.44  1840.04   0.0000   0.0000  8004.44  1840.04  ?   ?   132.815   17.488 0.000000 17.48766 
1 1 1   55   29   10 o  108.100   19.613  5554.91  1658.10   0.0000   0.0000  5554.91  1658.10  ?   ?   108.100   19.613 0.000000 19.61297 
1 1 1   55   29   11 o   56.079   21.206  1389.73  1322.72   0.0000   0.0000  1389.73  1322.72  ?   ?    56.079   21.206 0.000000 21.20582 
1 1 1   55   31    0 o   44.532   18.746  310.685  1153.88   0.0000   0.0000  310.685  1153.88  ?   ?    44.532   18.746 0.000000 18.74553 
1 1 1   55   31    1 o   65.595   24.602  1839.97  1772.43   0.0000   0.0000  1839.97  1772.43  ?   ?    65.595   24.602 0.000000 24.60219 
1 1 1   55   31    2 o   58.798   22.863  1294.73  1567.10   0.0000   0.0000  1294.73  1567.10  ?   ?    58.798   22.863 0.000000 22.86276 
1 1 1   55   31    3 o  132.548   27.968  8971.79  2915.43   0.0000   0.0000  8971.79  2915.43  ?   ?   132.548   27.968 0.000000 27.96802 
1 1 1   55   31    4 f   75.148   29.532  2621.78  2636.98   0.0000   0.0000  2621.78  2636.98  ?   ?    75.148   29.532 0.000000 29.53191 
1 1 1   55   31    5 o  141.253   13.828  8674.53  1565.59   0.0000   0.0000  8674.53  1565.59  ?   ?   141.253   13.828 0.000000 13.82763 
1 1 1   55   31    6 o  132.991   14.963  7819.62  1587.75   0.0000   0.0000  7819.62  1587.75  ?   ?   132.991   14.963 0.000000 14.96342 
1 1 1   55   31    7 o   67.690   19.275  2196.66  1110.42   0.0000   0.0000  2196.66  1110.42  ?   ?    67.690   19.275 0.000000 19.27536 
1 1 1   55   31    8 f   56.059   20.030  1426.13  1153.15   0.0000   0.0000  1426.13  1153.15  ?   ?    56.059   20.030 0.000000 20.02973 
1 1 1   55   31    9 o   60.863   21.243  1817.06  1291.00   0.0000   0.0000  1817.06  1291.00  ?   ?    60.863   21.243 0.000000 21.24272 
1 1 1   55   33    0 o  128.303   27.612  8872.03  2791.28   0.0000   0.0000  8872.03  2791.28  ?   ?   128.303   27.612 0.000000 27.61162 
1 1 1   55   33    1 o   59.580   24.649  1291.48  1944.54   0.0000   0.0000  1291.48  1944.54  ?   ?    59.580   24.649 0.000000 24.64946 
1 1 1   55   33    2 o   70.843   10.366  2164.98  578.630   0.0000   0.0000  2164.98  578.630  ?   ?    70.843   10.366 0.000000 10.36593 
1 1 1   55   33    3 o   47.344   12.268  1002.54  475.438   0.0000   0.0000  1002.54  475.438  ?   ?    47.344   12.268 0.000000 12.26783 
1 1 1   55   33    4 o   90.201   13.238  3612.60  940.691   0.0000   0.0000  3612.60  940.691  ?   ?    90.201   13.238 0.000000 13.23777 
1 1 1   55   33    5 o   70.351   15.670  2306.25  872.138   0.0000   0.0000  2306.25  872.138  ?   ?    70.351   15.670 0.000000 15.66957 
1 1 1   55   33    6 o   41.634   16.208  614.354  788.310   0.0000   0.0000  614.354  788.310  ?   ?    41.634   16.208 0.000000 16.20804 
1 1 1   55   35    0 o   57.748   25.295  1254.38  2264.53   0.0000   0.0000  1254.38  2264.53  ?   ?    57.748   25.295 0.000000 25.29493 
1 1 1   55   35    1 o   77.798   30.440  4206.58  2791.36   0.0000   0.0000  4206.58  2791.36  ?   ?    77.798   30.440 0.000000 30.44011 
1 1 1   55   35    2 o   76.511   10.328  2561.10  625.242   0.0000   0.0000  2561.10  625.242  ?   ?    76.511   10.328 0.000000 10.32838 
1 1 1   56    0    0 o  565.013   41.922 134507.59 18989.33   0.0000   0.0000 134507.59 18989.33  565.013   41.922  565.013   41.922 0.000000 0.000000 
1 1 1   56    0    1 o  736.817   53.895 231939.59 31847.23   0.0000   0.0000 231939.59 31847.23  736.817   53.895  736.817   53.895 0.000000 0.000000 
1 1 1   56    0    2 o  746.630   54.562 238691.20 32671.37   0.0000   0.0000 238691.20 32671.37  746.630   54.562  746.630   54.562 0.000000 0.000000 
1 1 1   56    0    3 o  592.561   43.272 148474.09 20564.50   0.0000   0.0000 148474.09 20564.50  592.561   43.272  592.561   43.272 0.000000 0.000000 
1 1 1   56    0    4 o   36.499   17.550  797.767  601.493  1031.45  1310.49  735.400  677.018   43.455   24.451   35.186   18.272 0.000000 0.000000 
1 1 1   56    0    5 o  635.111   46.251 171840.70 23560.44   0.0000   0.0000 171840.70 23560.44  635.111   46.251  635.111   46.251 0.000000 0.000000 
1 1 1   56    0    6 o  249.180   15.338 25594.90  3076.36 27205.42  4840.09 24503.26  3984.82  254.342   23.923  242.221   20.604 0.000000 0.000000 
1 1 1   56    0    7 o  202.958   14.402 17039.59  2345.86 15046.89  3859.39 18207.20  2954.24  185.623   27.348  208.950   17.705 0.000000 0.000000 
1 1 1   56    0    8 o  649.130   33.251 176438.70 17420.88 175724.41 25158.66 177096.59 24146.20  636.304   49.379  640.762   46.991 0.000000 0.000000 
1 1 1   56    0    9 o  398.443   22.148 65842.88  7114.90 62318.47 10597.15 68735.53  9600.49  381.496   34.881  403.882   29.642 0.000000 0.000000 
1 1 1   56    0   10 o  133.070   28.322  8235.83  2689.67  8235.83  2689.67   0.0000   0.0000  133.070   28.322  133.070   28.322 0.000000 0.000000 
1 1 1   56    0   11 o  101.283   14.305  4439.67  1108.85  4661.97  2254.57  4368.74  1273.52   91.742   33.046   98.919   17.486 0.000000 0.000000 
1 1 1   56    0   12 o   19.826   13.741 -636.1813  765.330  2362.90  1632.00 -1481.6689  866.520   61.840   29.000   17.436   12.539 0.000000 0.000000 
1 1 1   56    0   13 o   28.207   17.519  234.855  804.974 -1258.4260  1680.14  679.763  917.084   29.651   20.506   35.358   20.230 0.000000 0.000000 
1 1 1   56    0   14 o  204.633   15.343 17605.13  2516.38 18398.89  4301.63 17192.18  3102.64  201.918   27.723  200.043   19.529 0.000000 0.000000 
1 1 1   56    0   15 o  259.313   17.602 28489.64  3666.88 27993.81  6017.80 28782.47  4624.59  246.240   31.510  257.281   22.535 0.000000 0.000000 
1 1 1   56    0   16 o   64.263   24.438  2377.76  1199.19 -1541.2889  2589.91  3447.25  1352.96   37.130   25.624   81.879   23.473 0.000000 0.000000 
1 1 1   56    0   17 o  140.434   16.408  8623.91  1804.18  7848.29  3836.73  8844.11  2044.31  106.846   44.385  140.762   18.832 0.000000 0.000000 
1 1 1   56    0   18 o   69.497   24.315  2744.49  1242.35 -468.9489  3548.79  3193.31  1326.27   46.354   31.447   76.435   24.279 0.000000 0.000000 
1 1 1   56    0   19 o   68.892   27.363  2988.88  1477.21 -165.2907  4144.85  3447.81  1581.03   48.441   33.166   75.058   27.903 0.000000 0.000000 
1 1 1   56    0   20 f   18.006   12.980 -1556.6520  953.904  9569.71  4514.15 -2076.7080  975.943   95.606   47.735   16.706   12.180 0.000000 0.000000 
1 1 1   56    2    0 o  225.879   14.553 20897.46  2654.82 16726.58  3698.06 25333.00  3813.58  200.494   23.141  248.070   19.079 -47.57671 29.99222 
1 1 1   56    2    1 o  229.806   14.478 21624.77  2687.64 23730.04  3749.45 19399.85  3854.52  239.994   19.407  216.298   22.265 23.69576 29.53611 
1 1 1   56    2    2 o  315.852   17.396 40898.70  4444.29 40141.20  6204.35 41696.99  6369.25  311.365   24.745  317.333   24.920 -5.968353 35.11835 
1 1 1   56    2    3 o  102.931   10.637  4358.15  876.149  4518.68  1153.27  4139.03  1347.38  104.353   13.961   99.210   17.358 5.142982 22.27596 
1 1 1   56    2    4 o  389.940   14.431 62034.85  4569.05 59069.50  6422.94 65072.73  6501.01  378.919   20.958  397.947   20.186 -19.02802 29.09768 
1 1 1   56    2    5 o  641.797   23.506 169502.50 12249.18 176475.41 17292.79 162480.70 17353.29  649.944   32.875  622.714   34.455 27.22955 47.62224 
1 1 1   56    2    6 o  495.501   18.007 100517.20  7244.84 100762.70 10220.34 100269.20 10271.36  493.379   25.600  492.094   25.796 1.285156 36.34295 
1 1 1   56    2    7 o  474.924   17.475 92345.16  6738.79 90283.75  9516.03 94418.80  9544.19  466.843   25.198  477.630   24.694 -10.78671 35.28067 
1 1 1   56    2    8 o  403.563   14.938 66566.69  4894.74 68416.74  6931.85 64726.88  6912.62  407.271   21.034  395.941   21.583 11.32928 30.13709 
1 1 1   56    2    9 o  469.262   19.765 90621.13  7530.92 90852.95  9122.73 90125.17 13343.59  467.750   24.102  459.619   36.044 8.130676 43.35974 
1 1 1   56    2   10 o  158.991   9.4673 10338.49  1216.65 10174.48  1728.47 10499.55  1712.85  157.090   13.688  159.660   13.335 -2.569489 19.10931 
1 1 1   56    2   11 o  171.411   12.281 12089.29  1697.99  8515.02  3429.75 13249.78  1954.29  138.588   31.227  179.245   13.527 -40.65688 34.03147 
1 1 1   56    2   12 o  253.457   11.284 26313.26  2322.28 26862.46  3310.44 25781.14  3258.58  254.444   16.106  249.223   16.191 5.221771 22.83758 
1 1 1   56    2   13 o  228.865   10.609 21464.34  1971.44 22096.35  2794.29 20837.96  2781.81  230.684   15.000  223.857   15.398 6.826675 21.49637 
1 1 1   56    2   14 o  362.859   14.454 54544.11  4258.50 55517.07  6046.67 53586.60  5998.46  361.812   20.668  355.287   20.885 6.524384 29.38295 
1 1 1   56    2   15 o  159.686   10.447 10524.25  1347.06  9772.60  1895.56 11291.11  1914.66  152.341   15.542  164.215   14.509 -11.87392 21.26169 
1 1 1   56    2   16 o  182.127   11.030 13734.81  1623.50 13397.88  2318.18 14059.13  2274.40  177.873   16.230  182.571   15.489 -4.697937 22.43428 
1 1 1   56    2   17 o   64.637   15.399  1828.16  796.658  1388.62  1050.33  2423.53  1222.44   57.752   19.180   73.646   19.949 -15.89328 27.67343 
1 1 1   56    2   18 o  130.827   11.750  7193.62  1234.83  6430.25  1752.70  7945.95  1740.00  120.683   18.475  135.604   16.119 -14.92171 24.51769 
1 1 1   56    2   19 o   76.420   16.697  2625.34  1007.09  1550.83  1355.64  3948.62  1504.42   60.665   21.713   92.199   20.613 -31.53386 29.93909 
1 1 1   56    2   20 o   92.767   15.752  3863.64  1144.09  1632.50  1552.28  6517.06  1692.82   61.495   23.032  119.429   18.017 -57.93397 29.24155 
1 1 1   56    4    0 o  698.727   34.931 203788.41 19817.78 195526.70 27916.31 212181.91 28138.15  672.071   51.550  701.751   49.704 -29.67981 71.60925 
1 1 1   56    4    1 o  546.289   27.523 123558.50 12168.97 118400.50 17058.45 128903.40 17364.67  529.065   40.005  552.716   38.941 -23.65088 55.82852 
1 1 1   56    4    2 o  604.420   29.934 151385.00 14690.60 146415.41 20594.80 156533.00 20961.36  586.416   43.564  606.907   42.811 -20.49103 61.07837 
1 1 1   56    4    3 o  576.576   23.099 136659.91 10813.89 135155.59 13283.24 139616.30 18621.38  570.774   28.754  574.370   40.182 -3.596191 49.40996 
1 1 1   56    4    4 o  644.349   21.829 170507.70 11420.78 163914.70 16067.08 177241.00 16237.10  627.089   31.657  653.352   30.607 -26.26215 44.03395 
1 1 1   56    4    5 o  603.542   20.810 149504.59 10198.04 150574.50 14370.17 148419.00 14474.82  602.466   29.376  597.946   29.813 4.519409 41.85437 
1 1 1   56    4    6 o  472.358   18.118 91377.02  6948.95 96732.30  9788.07 85935.02  9866.99  483.491   25.018  454.985   26.827 28.50677 36.68269 
1 1 1   56    4    7 o  592.542   21.624 144439.50 10404.03 145020.09 14701.98 143857.00 14725.09  589.006   30.848  586.534   31.029 2.472351 43.75433 
1 1 1   56    4    8 o  193.279   10.925 15271.02  1707.53 14568.28  1999.85 17161.59  3280.20  188.468   13.151  203.355   20.130 -14.88721 24.04512 
1 1 1   56    4    9 o  210.266   10.221 18017.80  1744.98 17998.23  2477.89 18037.05  2457.79  209.227   14.679  209.478   14.540 -0.2509613 20.66091 
1 1 1   56    4   10 o  152.338   8.9633  9488.73  1103.82  9234.21  1552.70  9748.79  1569.52  149.704   12.900  153.885   12.674 -4.181168 18.08395 
1 1 1   56    4   11 o  262.531   11.620 28203.49  2477.03 29670.01  3536.07 26790.49  3470.95  267.767   16.342  254.221   16.912 13.54541 23.51734 
1 1 1   56    4   12 o  284.921   12.323 33321.57  2850.79 34511.79  4065.13 32169.80  3998.93  287.888   17.473  277.772   17.824 10.11652 24.96042 
1 1 1   56    4   13 o  205.660   10.808 17389.83  1798.47 17400.09  2571.20 17379.99  2516.53  204.340   15.615  204.333   15.278 0.6668091E-02 21.84634 
1 1 1   56    4   14 o   48.146   15.138  954.514  659.750  1101.32  960.437  823.344  907.839   53.318   18.339   48.612   17.718 4.705971 25.49942 
1 1 1   56    4   15 o   27.250   12.254 -265.7056  567.490 -954.3076  789.656  469.792  816.102   27.493   13.057   42.122   16.465 -14.62908 21.01419 
1 1 1   56    4   16 o   47.176   15.963  880.418  727.314  565.579  968.240  1288.11  1101.81   45.692   17.914   56.920   19.638 -11.22753 26.58147 
1 1 1   56    4   17 o   37.898   15.179  322.732  709.401  1379.13  935.209 -1108.8220  1088.68   56.907   18.038   33.131   15.613 23.77673 23.85714 
1 1 1   56    4   18 o   40.795   15.469  535.967  705.128  555.082  857.943  496.177  1237.81   43.428   16.908   48.282   19.787 -4.853916 26.02731 
1 1 1   56    4   19 o   94.295   13.203  3839.22  983.168  3348.33  1321.01  4448.77  1472.04   85.142   19.524   98.732   19.052 -13.58973 27.28004 
1 1 1   56    4   20 o   75.305   16.224  2590.54  962.738  3040.10  1204.78  1796.28  1601.37   80.369   18.797   63.294   23.454 17.07467 30.05731 
1 1 1   56    6    0 o  427.593   33.099 76606.72 11402.07   0.0000   0.0000 76606.72 11402.07  ?   ?   427.593   33.099 0.000000 33.09870 
1 1 1   56    6    1 o  426.530   32.783 76172.95 11266.73   0.0000   0.0000 76172.95 11266.73  ?   ?   426.530   32.783 0.000000 32.78284 
1 1 1   56    6    2 o  179.929   19.522 13415.78  2806.38   0.0000   0.0000 13415.78  2806.38  ?   ?   179.929   19.522 0.000000 19.52229 
1 1 1   56    6    3 o  327.782   16.867 44038.35  4473.93 46940.45  5493.42 38321.84  7709.94  337.770   20.121  301.911   31.936 35.85883 37.74596 
1 1 1   56    6    4 o  551.141   28.788 126233.00 12838.01 124524.20 21641.38 127160.80 15946.99  534.929   50.420  549.668   35.928 -14.73920 61.91153 
1 1 1   56    6    5 o  138.917   8.6757  7880.62  973.681  7308.62  1304.49  8600.17  1463.10  133.362   12.181  144.704   12.578 -11.34157 17.50943 
1 1 1   56    6    6 o  786.304   32.736 258504.50 20900.52 272160.50 25480.54 230422.20 36539.43  801.830   39.137  712.073   63.877 89.75745 74.91281 
1 1 1   56    6    7 o  496.349   17.281 100911.40  6964.52 104596.50  9839.72 97211.93  9858.93  503.240   24.081  484.158   25.165 19.08154 34.83073 
1 1 1   56    6    8 o  499.992   18.198 102616.90  7388.17 102686.50 10461.40 102547.70 10435.55  496.691   26.030  496.377   25.982 0.3147888 36.77847 
1 1 1   56    6    9 o  302.536   12.055 37373.05  2961.23 38364.28  4194.31 36387.93  4181.35  305.203   16.993  297.109   17.409 8.093964 24.32704 
1 1 1   56    6   10 f  219.419   10.021 19644.46  1785.38 18618.69  2528.70 20664.09  2521.13  212.499   14.747  224.099   13.924 -11.60013 20.28185 
1 1 1   56    6   11 o  216.393   10.314 19138.94  1812.26 18511.88  2571.25 19757.93  2554.67  211.504   15.071  218.697   14.468 -7.193359 20.89158 
1 1 1   56    6   12 o  100.770   12.685  4236.82  1014.94  2676.58  2570.53  4524.97  1104.69   83.332   29.891  104.037   13.388 -20.70501 32.75225 
1 1 1   56    6   13 o   61.872   13.279  1637.41  647.129  883.975  914.628  2392.66  915.730   49.660   17.828   74.625   15.614 -24.96522 23.69919 
1 1 1   56    6   14 o   96.996   10.960  3914.87  848.026  3645.37  1183.66  4199.09  1215.56   92.194   16.414   99.343   15.582 -7.148438 22.63204 
1 1 1   56    6   15 o   77.849   12.328  2563.89  753.336  2727.00  1010.58  2359.88  1130.18   79.348   16.233   73.298   18.876 6.049751 24.89550 
1 1 1   56    6   16 o   76.155   12.549  2466.89  748.922  2300.06  1034.38  2650.70  1085.76   72.262   17.756   77.643   17.625 -5.381050 25.01877 
1 1 1   56    6   17 o   66.971   14.876  1959.85  787.868  2731.72  1023.97  839.793  1233.49   78.840   16.524   52.220   20.290 26.61938 26.16715 
1 1 1   56    6   18 o  173.898   11.308 12668.16  1587.94 12599.05  2154.48 12750.35  2349.56  171.025   15.690  171.126   17.140 -0.1008301 23.23668 
1 1 1   56    6   19 o   32.164   13.996 -52.1772  683.237 -499.9019  872.796  656.404  1098.00   32.238   14.769   47.462   18.927 -15.22387 24.00761 
1 1 1   56    6   20 o  151.532   12.557  9917.06  1531.12  9495.06  2048.66 10451.04  2304.51  143.966   17.913  149.680   19.419 -5.713974 26.41926 
1 1 1   56    8    0 o  304.115   25.955 38459.97  6347.75   0.0000   0.0000 38459.97  6347.75  ?   ?   304.115   25.955 0.000000 25.95507 
1 1 1   56    8    1 o  584.010   43.837 145953.70 20635.58   0.0000   0.0000 145953.70 20635.58  ?   ?   584.010   43.837 0.000000 43.83674 
1 1 1   56    8    2 o  451.268   34.416 85640.88 12515.53   0.0000   0.0000 85640.88 12515.53  ?   ?   451.268   34.416 0.000000 34.41622 
1 1 1   56    8    3 o  413.242   34.437 71927.47 11449.60 71927.47 11449.60   0.0000   0.0000  413.242   34.437  ?   ?  0.000000 34.43654 
1 1 1   56    8    4 o  374.976   17.928 57579.34  5458.62 57579.34  5458.62   0.0000   0.0000  374.976   17.928  ?   ?  0.000000 17.92837 
1 1 1   56    8    5 o  379.834   15.151 58950.84  4672.88 61250.60  6513.86 56512.46  6707.30  385.517   20.887  369.833   22.442 15.68405 30.65814 
1 1 1   56    8    6 o  502.759   19.319 103755.00  7886.59 112354.10 11099.29 94986.41 11208.16  520.102   26.369  476.934   29.082 43.16745 39.25623 
1 1 1   56    8    7 o  108.840   8.6223  4850.92  755.755  5072.90  989.977  4540.84  1170.05  111.010   11.133  104.487   14.156 6.523819 18.00914 
1 1 1   56    8    8 o  523.551   19.592 112861.70  8328.83 118897.30 11789.24 106847.50 11768.27  533.217   27.322  504.561   28.845 28.65567 39.73017 
1 1 1   56    8    9 o  132.554   9.7910  7202.71  1046.34  6881.26  1274.66  7866.83  1832.15  129.179   12.301  137.356   16.776 -8.176926 20.80285 
1 1 1   56    8   10 o   92.046   9.0042  3488.12  664.345  3144.31  859.804  3997.47  1046.53   86.741   12.574   97.823   13.539 -11.08187 18.47733 
1 1 1   56    8   11 o   73.535   9.9346  2249.78  577.994  2684.12  736.298  1552.37  933.008   80.117   11.661   60.610   17.792 19.50640 21.27301 
1 1 1   56    8   12 o  101.567   9.3766  4253.59  764.551  3256.41  1045.48  5399.92  1120.94   87.520   15.267  113.979   12.307 -26.45898 19.61008 
1 1 1   56    8   13 o  205.573   10.773 17394.04  1791.91 16993.00  2535.57 17794.17  2532.71  201.682   15.605  206.551   15.208 -4.869476 21.79019 
1 1 1   56    8   14 o  231.880   11.209 22134.46  2110.36 22141.73  2993.13 22127.26  2975.96  229.705   16.151  229.671   16.059 0.3419495E-01 22.77586 
1 1 1   56    8   15 o  325.061   13.360 43892.16  3526.20 40499.55  5045.91 47130.33  4929.73  307.128   20.349  333.119   18.296 -25.99030 27.36477 
1 1 1   56    8   16 o   84.096   12.124  2991.88  803.964  2086.21  1062.52  4204.88  1229.66   68.698   18.594   98.780   15.868 -30.08219 24.44483 
1 1 1   56    8   17 o  117.020   11.184  5737.21  1049.77  5501.21  1401.76  6038.61  1584.11  112.901   15.717  117.783   17.061 -4.881752 23.19707 
1 1 1   56    8   18 o   74.723   14.662  2452.61  857.825  2968.10  1084.43  1590.73  1402.22   81.503   16.939   61.752   22.085 19.75124 27.83300 
1 1 1   56    8   19 o  113.210   12.125  5487.96  1097.20  5211.33  1362.71  5997.81  1850.05  108.296   15.977  113.083   20.919 -4.787041 26.32256 
1 1 1   56   10    0 o  228.427   23.176 21710.83  4239.00   0.0000   0.0000 21710.83  4239.00  ?   ?   228.427   23.176 0.000000 23.17566 
1 1 1   56   10    1 o  385.517   30.897 62297.24  9590.19   0.0000   0.0000 62297.24  9590.19  ?   ?   385.517   30.897 0.000000 30.89655 
1 1 1   56   10    2 o  214.241   21.615 19060.45  3708.69   0.0000   0.0000 19060.45  3708.69  ?   ?   214.241   21.615 0.000000 21.61513 
1 1 1   56   10    3 o  486.633   37.007 100379.80 14512.95   0.0000   0.0000 100379.80 14512.95  ?   ?   486.633   37.007 0.000000 37.00691 
1 1 1   56   10    4 o  291.601   18.515 35002.84  4361.15 34381.03  6617.07 35480.37  5798.82  286.200   28.869  292.050   24.685 -5.849426 37.98373 
1 1 1   56   10    5 o  188.036   15.714 14560.94  2377.24 14614.22  3840.83 14527.85  3026.64  186.103   26.138  186.948   20.263 -0.8445587 33.07268 
1 1 1   56   10    6 o  328.230   11.255 43919.34  2999.57 42369.61  4146.58 45620.46  4344.39  321.732   15.873  333.820   16.028 -12.08783 22.55762 
1 1 1   56   10    7 o  110.999   7.2374  5032.83  648.723  3434.61  808.454  7922.52  1087.08   91.100   11.163  139.123   9.6837 -48.02329 14.77798 
1 1 1   56   10    8 o  271.561   10.885 30091.37  2400.15 29367.13  3350.54 30854.74  3439.88  267.143   15.513  273.842   15.535 -6.699341 21.95419 
1 1 1   56   10    9 o  339.097   12.745 47085.55  3509.07 47535.46  4962.45 46635.59  4962.71  338.785   18.105  335.487   18.287 3.298096 25.73381 
1 1 1   56   10   10 o  188.936   9.8111 14622.27  1499.94 14124.12  2074.69 15167.78  2171.06  184.846   13.925  191.558   14.056 -6.712326 19.78636 
1 1 1   56   10   11 o  293.488   12.461 35394.23  2969.42 33136.24  4220.16 37608.31  4178.92  281.354   18.578  300.444   17.202 -19.08997 25.31840 
1 1 1   56   10   12 o   98.968   8.9171  4036.76  708.867  3491.26  904.228  4906.58  1141.81   91.274   12.532  108.310   13.260 -17.03561 18.24499 
1 1 1   56   10   13 o  161.131   12.666 10779.35  1643.78 11069.11  4137.11 10725.03  1791.24  153.703   34.046  160.365   13.894 -6.661285 36.77216 
1 1 1   56   10   14 o   94.993   10.267  3751.31  779.294  3503.27  1004.65  4126.01  1234.78   90.828   14.078   98.148   16.049 -7.320717 21.34870 
1 1 1   56   10   15 o   55.017   13.734  1309.73  611.612  1477.13  743.240  958.586  1076.43   58.310   15.450   52.166   19.250 6.144466 24.68328 
1 1 1   56   10   16 o   92.978   11.421  3635.98  844.107  4085.35  1060.62  2859.59  1394.11   97.929   13.715   79.562   21.198 18.36756 25.24798 
1 1 1   56   10   17 f  197.948   11.112 16356.55  1778.82 16653.37  2466.29 16034.73  2568.05  197.208   15.528  192.809   16.564 4.399780 22.70441 
1 1 1   56   10   18 o  143.531   10.803  8660.26  1249.72  8726.66  1633.12  8566.45  1941.30  142.273   14.332  138.962   17.600 3.310669 22.69703 
1 1 1   56   10   19 o   71.207   13.323  2239.02  741.988  2070.23  864.538  2711.03  1445.71   67.358   16.038   74.562   22.215 -7.203812 27.39930 
1 1 1   56   12    3 o  485.423   37.285 100323.00 14583.45   0.0000   0.0000 100323.00 14583.45  ?   ?   485.423   37.285 0.000000 37.28481 
1 1 1   56   12    4 o  476.993   36.717 96879.02 14111.34   0.0000   0.0000 96879.02 14111.34  ?   ?   476.993   36.717 0.000000 36.71708 
1 1 1   56   12    5 o  127.268   20.780  6838.10  2073.20   0.0000   0.0000  6838.10  2073.20  ?   ?   127.268   20.780 0.000000 20.77962 
1 1 1   56   12    6 f  285.671   18.997 33723.33  4381.25 31119.66  6780.05 35590.03  5740.87  270.246   31.489  291.858   24.451 -21.61243 39.86695 
1 1 1   56   12    7 o  426.419   19.433 75029.68  6728.31 82663.63 12359.98 71814.86  8020.88  438.567   35.001  414.835   23.914 23.73227 42.39013 
1 1 1   56   12    8 o  127.456   7.9099  6642.15  814.561  6187.61  1036.41  7376.60  1317.42  122.657   10.508  133.719   12.271 -11.06120 16.15498 
1 1 1   56   12    9 o   37.561   8.7048  598.556  260.292  615.069  281.383  500.627  685.227   38.065   9.2050   40.578   15.282 -2.513199 17.83998 
1 1 1   56   12   10 o  118.354   8.9435  5753.42  853.116  5358.14  979.321  6997.39  1737.32  113.896   10.716  128.831   17.025 -14.93580 20.11664 
1 1 1   56   12   11 o   19.444   8.3677 -21.5015  238.855 -145.9362  250.242  1253.18  800.922   17.746   8.0441   54.688   16.590 -36.94179 18.43719 
1 1 1   56   12   12 o  133.254   8.6985  7293.69  935.990  5837.56  1203.72  9520.51  1488.57  118.306   12.731  151.542   12.201 -33.23572 17.63379 
1 1 1   56   12   13 o  172.210   13.482 12360.87  1870.12  9537.16  4786.14 12869.66  2031.63  138.378   40.206  175.427   14.390 -37.04903 42.70339 
1 1 1   56   12   14 o   52.192   11.723  1169.16  484.644  879.812  555.254  2094.75  993.082   45.748   13.799   69.125   17.636 -23.37692 22.39283 
1 1 1   56   12   15 o   77.314   10.299  2507.66  630.427  2044.81  740.799  3723.11  1200.47   68.837   13.735   92.577   16.579 -23.73960 21.52942 
1 1 1   56   12   16 o  109.203   9.7085  4962.67  851.869  4486.10  1080.14  5746.82  1385.55  102.693   13.264  115.704   15.109 -13.01096 20.10486 
1 1 1   56   12   17 o  134.592   10.009  7561.52  1086.02  6548.73  1361.79  9331.09  1800.05  123.675   13.796  147.049   15.300 -23.37372 20.60153 
1 1 1   56   12   18 o   48.809   13.865  1050.26  575.243  1019.08  646.191  1169.30  1262.71   48.349   14.946   55.020   20.740 -6.670822 25.56389 
1 1 1   56   12   19 f   68.220   12.363  2048.77  659.585  1531.22  765.266  3544.05  1300.77   57.747   15.843   86.438   19.047 -28.69062 24.77488 
1 1 1   56   14    0 o  151.702   24.998  9778.16  2971.87   0.0000   0.0000  9778.16  2971.87  ?   ?   151.702   24.998 0.000000 24.99763 
1 1 1   56   14    1 o  181.653   23.536 13863.86  3389.86   0.0000   0.0000 13863.86  3389.86  ?   ?   181.653   23.536 0.000000 23.53591 
1 1 1   56   14    4 o  495.046   41.731 106601.00 16617.85 106601.00 16617.85   0.0000   0.0000  495.046   41.731  ?   ?  0.000000 41.73108 
1 1 1   56   14    6 o  476.477   37.546 98694.31 14408.21   0.0000   0.0000 98694.31 14408.21  ?   ?   476.477   37.546 0.000000 37.54593 
1 1 1   56   14    7 o  218.900   15.594 19809.45  2753.54   0.0000   0.0000 19809.45  2753.54  ?   ?   218.900   15.594 0.000000 15.59393 
1 1 1   56   14    8 f  223.581   13.369 20602.71  2415.98 24959.07  5293.17 19456.32  2715.32  240.694   27.582  216.678   15.537 24.01584 31.65664 
1 1 1   56   14    9 o  132.393   12.572  7264.64  1335.27 10612.67  3586.27  6725.81  1438.71  154.379   29.688  126.980   14.197 27.39882 32.90802 
1 1 1   56   14   10 o   60.874   19.929  1509.09  1135.57  3694.57  2435.13  901.758  1283.69   92.005   29.102   54.501   20.823 37.50350 35.78407 
1 1 1   56   14   11 o  119.012   13.272  5918.94  1260.65  7488.64  3333.19  5656.92  1361.80  127.078   32.250  115.912   14.808 11.16638 35.48668 
1 1 1   56   14   12 o  141.657   8.6960  8246.10  995.384  7979.84  1266.43  8676.43  1609.99  138.756   11.340  143.994   13.945 -5.238373 17.97362 
1 1 1   56   14   13 o  230.914   14.811 22338.69  2762.33 22523.48  6548.30 22298.69  3046.68  213.777   39.168  229.894   16.430 -16.11690 42.47467 
1 1 1   56   14   14 o   90.440   8.7094  3387.88  631.659  3396.27  751.970  3367.78  1164.18   90.159   10.467   87.908   16.924 2.251595 19.89924 
1 1 1   56   14   15 o  251.186   11.946 26252.40  2436.40 25187.18  3448.64 27313.87  3442.54  242.038   17.670  252.704   16.875 -10.66612 24.43320 
1 1 1   56   14   16 o  129.273   10.136  6971.02  1055.36  7709.00  1314.27  5631.26  1770.81  135.239   12.096  111.707   20.270 23.53165 23.60476 
1 1 1   56   14   17 o   58.348   11.159  1470.82  509.390  1438.03  554.433  1648.40  1290.18   57.381   12.271   61.481   21.249 -4.100060 24.53746 
1 1 1   56   14   18 o   21.579   9.6851 -146.6864  352.587 -81.4390  368.848 -838.1227  1200.72   23.067   10.154   36.101   16.813 -13.03396 19.64071 
1 1 1   56   16    0 o  333.724   29.722 47147.06  7969.52   0.0000   0.0000 47147.06  7969.52  ?   ?   333.724   29.722 0.000000 29.72187 
1 1 1   56   16    1 o   84.442   25.231  3009.08  1862.88   0.0000   0.0000  3009.08  1862.88  ?   ?    84.442   25.231 0.000000 25.23077 
1 1 1   56   16    2 o  169.756   22.760 12147.90  3058.09   0.0000   0.0000 12147.90  3058.09  ?   ?   169.756   22.760 0.000000 22.75950 
1 1 1   56   16    3 o  247.100   24.623 25673.93  4874.59   0.0000   0.0000 25673.93  4874.59  ?   ?   247.100   24.623 0.000000 24.62349 
1 1 1   56   16    4 o  182.051   17.399 13766.36  2540.58 14700.16  4111.34 13189.51  3231.39  184.949   28.276  176.655   23.080 8.293732 36.49924 
1 1 1   56   16    5 o  315.977   32.752 43218.66  8280.87 43218.66  8280.87   0.0000   0.0000  315.977   32.752  ?   ?  0.000000 32.75184 
1 1 1   56   16    6 o  246.343   32.385 26570.70  6320.69 26570.70  6320.69   0.0000   0.0000  246.343   32.385  ?   ?  0.000000 32.38477 
1 1 1   56   16    7 o   94.004   18.213  3788.99  1339.99   0.0000   0.0000  3788.99  1339.99  ?   ?    94.004   18.213 0.000000 18.21343 
1 1 1   56   16    8 o  221.185   15.138 20318.18  2702.36   0.0000   0.0000 20318.18  2702.36  ?   ?   221.185   15.138 0.000000 15.13805 
1 1 1   56   16    9 o  212.467   15.077 18791.66  2584.21   0.0000   0.0000 18791.66  2584.21  ?   ?   212.467   15.077 0.000000 15.07741 
1 1 1   56   16   10 o   90.888   21.199  3636.29  1535.70  429.596  3558.34  4370.27  1702.41   75.084   32.305   99.658   21.657 -24.57379 38.89227 
1 1 1   56   16   11 o  171.303   13.331 12222.23  1839.60 17349.83  4989.64 11415.61  1979.01  193.383   32.959  164.986   14.935 28.39624 36.18465 
1 1 1   56   16   12 o   84.071   17.227  3076.96  1136.44  5978.96  4050.66  2829.02  1183.99  111.592   37.671   80.229   18.546 31.36266 41.98906 
1 1 1   56   16   13 o   68.534   17.773  2067.57  997.356 -2305.4551  3543.85  2443.72  1039.37   61.723   28.791   74.533   17.477 -12.80956 33.68082 
1 1 1   56   16   14 o   56.306   19.138  1297.42  1045.51 -4400.8032  4435.98  1632.57  1075.82   62.914   30.171   61.467   19.331 1.446857 35.83241 
1 1 1   56   16   15 o   97.194   17.998  4190.42  1368.08  6239.47  5427.50  4051.40  1413.73  107.482   42.327   95.112   18.971 12.37014 46.38378 
1 1 1   56   16   16 o  108.635   17.424  5246.90  1485.01  4676.40  6275.73  5280.74  1528.42   97.185   42.351  108.719   17.940 -11.53397 45.99387 
1 1 1   56   16   17 o  126.609   9.3802  6718.35  957.445  6077.21  1137.55  8276.02  1773.10  119.247   11.908  136.540   16.316 -17.29308 20.19944 
1 1 1   56   16   18 o   73.415   9.9106  2308.12  575.678  2547.01  638.444  1269.19  1331.40   76.948   10.492   55.477   21.204 21.47164 23.65770 
1 1 1   56   18    0 o  100.580   27.820  4403.34  2348.42   0.0000   0.0000  4403.34  2348.42  ?   ?   100.580   27.820 0.000000 27.81951 
1 1 1   56   18    1 o  166.757   24.955 11885.01  3275.08   0.0000   0.0000 11885.01  3275.08  ?   ?   166.757   24.955 0.000000 24.95506 
1 1 1   56   18    2 o  444.671   36.925 86703.04 13211.63   0.0000   0.0000 86703.04 13211.63  ?   ?   444.671   36.925 0.000000 36.92549 
1 1 1   56   18    3 o   82.929   24.812  2934.78  1800.68   0.0000   0.0000  2934.78  1800.68  ?   ?    82.929   24.812 0.000000 24.81215 
1 1 1   56   18    4 o  262.640   19.555 28840.92  4140.30 29679.90  6595.58 28295.32  5318.83  260.448   31.852  257.414   25.795 3.034729 40.98686 
1 1 1   56   18    5 o  370.272   23.486 58059.77  7024.45 56499.04 10714.06 59236.44  9302.89  353.937   37.869  368.136   31.423 -14.19904 49.20830 
1 1 1   56   18    6 o  297.050   20.601 37191.95  4938.18 38831.37  7839.08 36113.37  6358.39  295.148   33.292  288.639   27.461 6.509766 43.15649 
1 1 1   56   18    7 o  118.298   16.406  5918.09  1533.42 11806.77  4156.07  4990.14  1649.82  160.682   32.961  107.535   19.618 53.14731 38.35710 
1 1 1   56   18    8 o   52.896   16.530  1160.52  788.039   86.260  3424.58  1220.58  809.770   72.293   31.395   54.096   16.732 18.19737 35.57568 
1 1 1   56   18    9 o   93.977   18.114  3824.18  1332.11   0.0000   0.0000  3824.18  1332.11  ?   ?    93.977   18.114 0.000000 18.11427 
1 1 1   56   18   10 o  118.102   23.624  6212.86  2186.34   0.0000   0.0000  6212.86  2186.34  ?   ?   118.102   23.624 0.000000 23.62442 
1 1 1   56   18   11 f  170.278   14.565 12179.37  1994.42   0.0000   0.0000 12179.37  1994.42  ?   ?   170.278   14.565 0.000000 14.56524 
1 1 1   56   18   12 o  134.588   14.567  7664.36  1566.54  9671.35  5279.11  7470.56  1640.43  134.183   42.892  132.493   15.544 1.689850 45.62144 
1 1 1   56   18   13 f  142.328   14.930  8616.78  1699.65 -2164.4810  5881.96  9599.00  1775.38   79.291   37.022  150.381   14.729 -71.08971 39.84395 
1 1 1   56   18   14 o  159.077   15.210 10828.75  1940.63 13652.73  6599.85 10561.47  2030.39  146.479   48.050  156.551   16.208 -10.07159 50.71016 
1 1 1   56   18   15 o  140.441   15.577  8555.73  1746.34  6513.25  6832.77  8698.47  1806.33  105.263   45.012  141.364   16.020 -36.10076 47.77776 
1 1 1   56   18   16 o   90.304   20.078  3816.88  1434.06  4336.87  5714.57  3781.93  1481.46   91.101   40.036   89.479   20.788 1.622101 45.11140 
1 1 1   56   18   17 f   52.889   20.217  1098.21  1210.39   0.0000   0.0000  1098.21  1210.39  ?   ?    52.889   20.217 0.000000 20.21680 
1 1 1   56   20    0 o  189.076   27.154 15541.42  4049.14   0.0000   0.0000 15541.42  4049.14  ?   ?   189.076   27.154 0.000000 27.15412 
1 1 1   56   20    1 o   42.335   19.451 -1057.3710  1529.00   0.0000   0.0000 -1057.3710  1529.00  ?   ?    42.335   19.451 0.000000 19.45124 
1 1 1   56   20    2 o   70.649   25.416  1850.84  1859.75   0.0000   0.0000  1850.84  1859.75  ?   ?    70.649   25.416 0.000000 25.41601 
1 1 1   56   20    3 o  338.781   31.092 50554.29  8457.41   0.0000   0.0000 50554.29  8457.41  ?   ?   338.781   31.092 0.000000 31.09235 
1 1 1   56   20    4 o  417.830   36.434 79381.90 12237.16   0.0000   0.0000 79381.90 12237.16  ?   ?   417.830   36.434 0.000000 36.43425 
1 1 1   56   20    5 o  288.350   21.943 35432.67  5098.91 33794.99  8428.45 36378.00  6403.64  267.748   39.995  288.241   27.702 -20.49310 48.65181 
1 1 1   56   20    6 o  203.696   19.916 17650.47  3251.82 22646.17  6014.81 15587.24  3865.42  221.765   34.527  188.363   25.963 33.40115 43.19963 
1 1 1   56   20    7 f  251.363   13.393 26210.86  2723.67 38613.74  7315.45 24214.89  2934.65  292.380   31.301  240.885   15.080 51.49451 34.74400 
1 1 1   56   20    8 o  119.952   13.411  6031.78  1283.80 15206.05  4932.46  5365.12  1329.63  179.076   35.177  112.619   14.907 66.45700 38.20562 
1 1 1   56   20    9 o  118.497   17.436  6028.90  1627.41 19036.81  5703.78  4876.09  1697.99  198.493   36.743  105.226   20.611 93.26710 42.12904 
1 1 1   56   20   10 o   72.434   32.848 -1021.0750  4178.02 -1021.0750  4178.02   0.0000   0.0000   72.434   32.848  ?   ?  0.000000 32.84774 
1 1 1   56   20   11 o   34.612   15.577 -395.2810  919.049   0.0000   0.0000 -395.2810  919.049  ?   ?    34.612   15.577 0.000000 15.57713 
1 1 1   56   20   12 o  182.834   15.178 14203.82  2232.85   0.0000   0.0000 14203.82  2232.85  ?   ?   182.834   15.178 0.000000 15.17785 
1 1 1   56   20   13 o   50.769   19.754  804.000  1170.55   0.0000   0.0000  804.000  1170.55  ?   ?    50.769   19.754 0.000000 19.75436 
1 1 1   56   20   14 o  128.222   17.288  7252.21  1754.04  4624.31  7148.21  7420.58  1809.36   98.847   44.040  129.501   17.668 -30.65423 47.45162 
1 1 1   56   20   15 o  136.230   16.342  8210.17  1771.54 14335.03  6889.30  7776.50  1833.18  133.361   48.777  131.720   17.579 1.640350 51.84840 
1 1 1   56   20   16 o   56.861   21.531  1339.95  1364.74   0.0000   0.0000  1339.95  1364.74  ?   ?    56.861   21.531 0.000000 21.53079 
1 1 1   56   22    0 o  188.210   29.292 15875.44  4330.79   0.0000   0.0000 15875.44  4330.79  ?   ?   188.210   29.292 0.000000 29.29180 
1 1 1   56   22    1 o  361.333   34.927 59821.37 10119.51   0.0000   0.0000 59821.37 10119.51  ?   ?   361.333   34.927 0.000000 34.92717 
1 1 1   56   22    2 o  182.036   27.175 14703.16  3893.64   0.0000   0.0000 14703.16  3893.64  ?   ?   182.036   27.175 0.000000 27.17492 
1 1 1   56   22    3 o   43.708   19.802 -746.9829  1514.21   0.0000   0.0000 -746.9829  1514.21  ?   ?    43.708   19.802 0.000000 19.80208 
1 1 1   56   22    4 o  208.572   26.336 19216.52  4360.61   0.0000   0.0000 19216.52  4360.61  ?   ?   208.572   26.336 0.000000 26.33551 
1 1 1   56   22    5 o  268.715   21.880 31083.31  4732.58 40836.03  8324.71 26426.19  5752.61  295.535   35.396  241.806   29.940 53.72934 46.35974 
1 1 1   56   22    6 o  205.002   13.119 17482.60  2172.28   0.0000   0.0000 17482.60  2172.28  ?   ?   205.002   13.119 0.000000 13.11904 
1 1 1   56   22    7 o  104.358   12.514  4570.80  1039.27  5358.39  5282.89  4539.09  1059.98  109.421   42.136  103.905   12.837 5.516396 44.04812 
1 1 1   56   22    8 o   85.820   14.920  3162.79  1001.95  2254.93  5329.31  3196.05  1020.14   93.467   39.855   86.221   15.123 7.246613 42.62756 
1 1 1   56   22    9 o   72.422   16.853  2303.42  972.433 -1838.8560  5779.08  2424.12  986.500   80.683   37.336   74.344   16.745 6.338547 40.91912 
1 1 1   56   22   10 o   72.203   18.312  2317.33  1075.18  9117.70  6647.99  2134.68  1089.52  125.885   47.556   69.303   18.859 56.58220 51.15840 
1 1 1   56   22   11 o   77.035   21.359  2700.02  1382.56 13792.35  6032.38  2085.06  1420.37  152.855   45.342   68.752   22.277 84.10290 50.51860 
1 1 1   56   22   12 o   82.255   21.675  3129.53  1467.97  6395.21  6592.36  2959.15  1505.77  107.476   45.000   79.858   22.344 27.61812 50.24206 
1 1 1   56   22   13 o   67.389   20.568  2078.75  1228.33   0.0000   0.0000  2078.75  1228.33  ?   ?    67.389   20.568 0.000000 20.56767 
1 1 1   56   22   14 o   55.195   20.999  1166.24  1301.96   0.0000   0.0000  1166.24  1301.96  ?   ?    55.195   20.999 0.000000 20.99860 
1 1 1   56   22   15 o   76.300   22.821  2910.30  1523.43   0.0000   0.0000  2910.30  1523.43  ?   ?    76.300   22.821 0.000000 22.82079 
1 1 1   56   24    0 o  142.306   11.779  8420.93  1348.80   0.0000   0.0000  8420.93  1348.80  ?   ?   142.306   11.779 0.000000 11.77896 
1 1 1   56   24    1 o   95.459   29.407  4177.40  2504.13   0.0000   0.0000  4177.40  2504.13  ?   ?    95.459   29.407 0.000000 29.40677 
1 1 1   56   24    2 o   97.730   30.328  4407.21  2657.99   0.0000   0.0000  4407.21  2657.99  ?   ?    97.730   30.328 0.000000 30.32821 
1 1 1   56   24    3 o  105.623   29.801  5219.23  2667.00   0.0000   0.0000  5219.23  2667.00  ?   ?   105.623   29.801 0.000000 29.80128 
1 1 1   56   24    4 o  143.344   13.081  8599.74  1505.79   0.0000   0.0000  8599.74  1505.79  ?   ?   143.344   13.081 0.000000 13.08147 
1 1 1   56   24    5 o  176.568   14.142 13087.83  2010.48   0.0000   0.0000 13087.83  2010.48  ?   ?   176.568   14.142 0.000000 14.14195 
1 1 1   56   24    6 o  119.186   12.456  5958.32  1187.64  5875.29  6132.02  5961.56  1210.56  111.970   44.705  119.141   12.710 -7.171188 46.47630 
1 1 1   56   24    7 o   66.880   15.775  1958.16  842.754 -5466.3301  5762.01  2120.46  851.916   71.046   34.154   69.698   15.458 1.348419 37.48903 
1 1 1   56   24    8 o   55.574   15.941  1341.38  756.734  315.895  5108.20  1364.40  765.177   82.473   36.951   56.020   16.018 26.45311 40.27320 
1 1 1   56   24    9 o   83.938   29.395  3212.18  2473.04  1869.70  6789.49  3417.54  2655.46   94.483   42.447   86.209   30.438 8.274399 52.23253 
1 1 1   56   24   10 o   40.984   16.676  347.259  871.289 -9673.1621  7550.47  482.493  877.149   72.115   35.600   42.779   16.962 29.33599 39.43433 
1 1 1   56   24   11 o   75.361   20.033  2609.94  1246.94 13468.30  8780.55  2386.45  1259.71  129.606   52.861   72.066   20.533 57.53947 56.70859 
1 1 1   56   24   12 o  211.324   15.824 19443.38  2695.48 25270.80 11343.73 19094.66  2774.96  149.764   60.446  208.802   16.502 -59.03871 62.65805 
1 1 1   56   24   13 o   76.307   23.730  2867.18  1626.24   0.0000   0.0000  2867.18  1626.24  ?   ?    76.307   23.730 0.000000 23.72965 
1 1 1   56   24   14 o   39.807   18.280 -584.8530  1347.75   0.0000   0.0000 -584.8530  1347.75  ?   ?    39.807   18.280 0.000000 18.27954 
1 1 1   56   26    0 o   93.980   16.468  3836.19  1210.84   0.0000   0.0000  3836.19  1210.84  ?   ?    93.980   16.468 0.000000 16.46798 
1 1 1   56   26    1 o  141.865   10.294  8349.91  1177.69   0.0000   0.0000  8349.91  1177.69  ?   ?   141.865   10.294 0.000000 10.29401 
1 1 1   56   26    2 o  190.926   12.153 15205.46  1874.24   0.0000   0.0000 15205.46  1874.24  ?   ?   190.926   12.153 0.000000 12.15310 
1 1 1   56   26    3 o  207.211   12.618 17943.18  2112.80   0.0000   0.0000 17943.18  2112.80  ?   ?   207.211   12.618 0.000000 12.61772 
1 1 1   56   26    4 o   99.685   12.939  4209.86  1022.57   0.0000   0.0000  4209.86  1022.57  ?   ?    99.685   12.939 0.000000 12.93863 
1 1 1   56   26    5 o   88.058   13.695  3319.21  947.388   0.0000   0.0000  3319.21  947.388  ?   ?    88.058   13.695 0.000000 13.69525 
1 1 1   56   26    6 o   82.111   15.547  2940.89  998.597  4577.68  7178.61  2908.59  1008.40  104.817   45.487   81.566   15.797 23.25133 48.15227 
1 1 1   56   26    7 o   42.492   15.491  647.893  694.020  6065.14  7007.75  594.233  697.449  108.588   45.979   41.660   15.470 66.92840 48.51186 
1 1 1   56   26    8 o  153.192   26.740 11147.83  3205.06 10147.29  8922.88 11296.05  3434.26  121.062   51.594  152.512   28.788 -31.45027 59.08223 
1 1 1   56   26    9 o   91.395   18.764  3777.34  1345.81  9576.96  8567.12  3630.60  1362.73  116.084   50.034   89.292   19.354 26.79189 53.64688 
1 1 1   56   26   10 o   55.747   20.435  1237.14  1210.17 -1415.1550  8722.51  1289.19  1221.98   86.322   41.629   56.490   20.561 29.83214 46.42942 
1 1 1   56   26   11 f   38.725   17.301 -260.4601  1111.43   0.0000   0.0000 -260.4601  1111.43  ?   ?    38.725   17.301 0.000000 17.30116 
1 1 1   56   26   12 f   23.213   11.710 -3162.0959  1036.59   0.0000   0.0000 -3162.0959  1036.59  ?   ?    23.213   11.710 0.000000 11.70977 
1 1 1   56   26   13 o   56.035   21.815  1294.28  1428.15   0.0000   0.0000  1294.28  1428.15  ?   ?    56.035   21.815 0.000000 21.81531 
1 1 1   56   28    0 o  114.586   17.948  5784.27  1615.05   0.0000   0.0000  5784.27  1615.05  ?   ?   114.586   17.948 0.000000 17.94783 
1 1 1   56   28    1 o   37.685   10.082  608.678  314.532   0.0000   0.0000  608.678  314.532  ?   ?    37.685   10.082 0.000000 10.08183 
1 1 1   56   28    2 o  116.017   10.533  5629.51  981.397   0.0000   0.0000  5629.51  981.397  ?   ?   116.017   10.533 0.000000 10.53278 
1 1 1   56   28    3 o  134.520   11.310  7588.37  1223.86   0.0000   0.0000  7588.37  1223.86  ?   ?   134.520   11.310 0.000000 11.30987 
1 1 1   56   28    4 o   98.372   16.494  4246.92  1270.83   0.0000   0.0000  4246.92  1270.83  ?   ?    98.372   16.494 0.000000 16.49410 
1 1 1   56   28    5 o  138.876   13.426  8207.88  1495.10   0.0000   0.0000  8207.88  1495.10  ?   ?   138.876   13.426 0.000000 13.42637 
1 1 1   56   28    6 o  167.090   14.040 11928.92  1887.23   0.0000   0.0000 11928.92  1887.23  ?   ?   167.090   14.040 0.000000 14.04040 
1 1 1   56   28    7 o  136.904   30.862  9656.14  3348.71 22248.25 10315.86  8172.93  3540.45  151.248   58.701  122.189   34.287 29.05848 67.98126 
1 1 1   56   28    8 o   47.022   17.707  791.873  919.891 -7430.5698  9311.47  872.913  924.413   78.345   38.830   48.205   17.829 30.13940 42.72780 
1 1 1   56   28    9 o   63.634   19.585  1874.16  1111.07   0.0000   0.0000  1874.16  1111.07  ?   ?    63.634   19.585 0.000000 19.58546 
1 1 1   56   28   10 o   51.724   19.791  1018.38  1160.59   0.0000   0.0000  1018.38  1160.59  ?   ?    51.724   19.791 0.000000 19.79051 
1 1 1   56   28   11 o   96.210   22.449  4648.42  1721.63   0.0000   0.0000  4648.42  1721.63  ?   ?    96.210   22.449 0.000000 22.44882 
1 1 1   56   28   12 o   37.059   17.362 -858.5737  1312.02   0.0000   0.0000 -858.5737  1312.02  ?   ?    37.059   17.362 0.000000 17.36171 
1 1 1   56   30    0 o  189.667   20.416 16318.47  3094.62   0.0000   0.0000 16318.47  3094.62  ?   ?   189.667   20.416 0.000000 20.41615 
1 1 1   56   30    1 o   73.962   9.0350  2299.36  531.313   0.0000   0.0000  2299.36  531.313  ?   ?    73.962   9.0350 0.000000 9.035015 
1 1 1   56   30    2 o  183.804   12.330 14319.23  1829.56   0.0000   0.0000 14319.23  1829.56  ?   ?   183.804   12.330 0.000000 12.33040 
1 1 1   56   30    3 o   83.155   11.692  2960.03  767.602   0.0000   0.0000  2960.03  767.602  ?   ?    83.155   11.692 0.000000 11.69159 
1 1 1   56   30    4 f   42.794   14.825  733.047  628.194   0.0000   0.0000  733.047  628.194  ?   ?    42.794   14.825 0.000000 14.82478 
1 1 1   56   30    5 o  124.814   13.553  6729.01  1351.42   0.0000   0.0000  6729.01  1351.42  ?   ?   124.814   13.553 0.000000 13.55260 
1 1 1   56   30    6 o  103.073   32.701  6051.19  3073.05   0.0000   0.0000  6051.19  3073.05  ?   ?   103.073   32.701 0.000000 32.70148 
1 1 1   56   30    7 o   58.253   19.530  1536.87  1088.63   0.0000   0.0000  1536.87  1088.63  ?   ?    58.253   19.530 0.000000 19.52995 
1 1 1   56   30    8 o   41.984   17.862  248.552  1066.11   0.0000   0.0000  248.552  1066.11  ?   ?    41.984   17.862 0.000000 17.86198 
1 1 1   56   30    9 o   74.391   21.868  2796.64  1408.59   0.0000   0.0000  2796.64  1408.59  ?   ?    74.391   21.868 0.000000 21.86848 
1 1 1   56   30   10 o   75.202   22.641  2970.73  1495.85   0.0000   0.0000  2970.73  1495.85  ?   ?    75.202   22.641 0.000000 22.64061 
1 1 1   56   32    0 o  151.864   23.496 11300.22  2803.75   0.0000   0.0000 11300.22  2803.75  ?   ?   151.864   23.496 0.000000 23.49633 
1 1 1   56   32    1 o  106.065   10.335  4779.11  878.754   0.0000   0.0000  4779.11  878.754  ?   ?   106.065   10.335 0.000000 10.33494 
1 1 1   56   32    2 o   73.916   26.317  2763.41  1988.98   0.0000   0.0000  2763.41  1988.98  ?   ?    73.916   26.317 0.000000 26.31663 
1 1 1   56   32    3 o   92.399   31.193  4966.47  2777.31   0.0000   0.0000  4966.47  2777.31  ?   ?    92.399   31.193 0.000000 31.19310 
1 1 1   56   32    4 o   90.101   13.703  3594.91  970.878   0.0000   0.0000  3594.91  970.878  ?   ?    90.101   13.703 0.000000 13.70256 
1 1 1   56   32    5 o   96.599   15.098  4208.99  1145.49   0.0000   0.0000  4208.99  1145.49  ?   ?    96.599   15.098 0.000000 15.09845 
1 1 1   56   32    6 f   79.280   17.079  2957.35  1067.00   0.0000   0.0000  2957.35  1067.00  ?   ?    79.280   17.079 0.000000 17.07947 
1 1 1   56   32    7 o   41.344   16.991  452.093  915.914   0.0000   0.0000  452.093  915.914  ?   ?    41.344   16.991 0.000000 16.99138 
1 1 1   56   32    8 o   54.418   26.587 -2545.6179  3878.91   0.0000   0.0000 -2545.6179  3878.91  ?   ?    54.418   26.587 0.000000 26.58738 
1 1 1   56   34    0 o   77.047   26.716  3446.76  2040.41   0.0000   0.0000  3446.76  2040.41  ?   ?    77.047   26.716 0.000000 26.71625 
1 1 1   56   34    1 o   57.806   24.530  1254.51  2001.52   0.0000   0.0000  1254.51  2001.52  ?   ?    57.806   24.530 0.000000 24.52984 
1 1 1   56   34    2 f   75.209   10.245  2455.88  609.360   0.0000   0.0000  2455.88  609.360  ?   ?    75.209   10.245 0.000000 10.24504 
1 1 1   56   34    3 o   70.072   11.987  2189.69  657.477   0.0000   0.0000  2189.69  657.477  ?   ?    70.072   11.987 0.000000 11.98655 
1 1 1   56   34    4 o   66.474   32.094  827.229  5220.29   0.0000   0.0000  827.229  5220.29  ?   ?    66.474   32.094 0.000000 32.09409 
1 1 1   57    1    0 o  210.273   14.307 18117.84  2428.14 18800.35  3406.40 17412.83  3462.11  213.315   19.896  204.995   21.101 8.320511 29.00229 
1 1 1   57    1    1 o  490.985   25.313 99565.77 10057.01 92593.73 14197.73 106587.20 14247.93  468.620   37.630  504.196   35.020 -35.57635 51.40467 
1 1 1   57    1    2 o  223.818   14.025 20509.43  2535.87 18576.10  3543.26 22539.56  3630.87  211.844   20.870  233.840   19.295 -21.99547 28.42302 
1 1 1   57    1    3 o  468.592   24.105 90597.41  9140.38 94309.57 12874.97 86825.28 12978.56  474.577   33.630  454.498   35.449 20.07843 48.86293 
1 1 1   57    1    4 o  232.941   12.136 22167.66  2287.52 23141.43  3676.90 21552.76  2921.81  236.915   19.281  229.177   15.798 7.737442 24.92679 
1 1 1   57    1    5 o  403.374   15.577 66464.69  5101.82 67890.74  7198.94 65025.78  7231.29  405.891   21.925  397.047   22.523 8.844208 31.43220 
1 1 1   57    1    6 o  329.875   17.546 44664.65  4682.84 45761.33  6577.51 43537.41  6668.50  332.199   24.559  323.696   25.580 8.503448 35.46135 
1 1 1   57    1    7 o  356.016   13.527 51726.14  3910.33 50220.29  5522.13 53240.68  5538.00  349.281   19.550  359.790   19.024 -10.50967 27.27858 
1 1 1   57    1    8 o  479.685   16.420 94212.48  6395.44 90951.86  9047.12 97469.36  9041.93  468.541   23.860  485.962   22.915 -17.42136 33.08142 
1 1 1   57    1    9 o  160.583   9.2723 10537.08  1203.85  9135.36  1695.00 11963.93  1710.12  148.789   14.203  170.734   12.421 -21.94498 18.86780 
1 1 1   57    1   10 o  195.536   12.102 15686.91  1912.03 14426.52  3745.95 16130.99  2223.49  184.070   25.770  197.965   13.921 -13.89523 29.28976 
1 1 1   57    1   11 o  372.710   14.772 57128.74  4470.29 56424.99  6323.00 57832.02  6320.90  367.315   21.292  372.022   21.011 -4.706573 29.91347 
1 1 1   57    1   12 o  323.304   12.951 42956.83  3399.84 45571.02  4819.80 40367.88  4796.48  330.671   18.019  310.664   19.108 20.00677 26.26388 
1 1 1   57    1   13 o  126.555   9.8382  6594.97  1003.01  5741.17  1420.68  7443.47  1416.27  116.800   15.352  133.783   13.210 -16.98272 20.25332 
1 1 1   57    1   14 o  108.816   10.777  4909.08  939.713  4157.04  1325.85  5668.21  1332.08   98.422   17.218  116.115   14.441 -17.69282 22.47183 
1 1 1   57    1   15 f  253.222   11.803 26456.95  2426.74 27285.15  3442.81 25639.15  3421.13  254.599   16.747  246.531   17.198 8.068405 24.00554 
1 1 1   57    1   16 o   34.991   14.662  109.386  700.736 -79.6794  996.192  294.554  985.869   39.121   16.961   42.775   17.610 -3.654167 24.44955 
1 1 1   57    1   17 o   77.403   15.203  2604.85  921.379  1776.74  1286.50  3476.91  1320.21   64.463   21.218   88.435   18.955 -23.97166 28.45178 
1 1 1   57    1   18 o   31.966   14.400 -336.4979  787.503 -198.3568  1080.54 -492.9969  1150.10   39.252   17.324   38.221   17.292 1.031357 24.47713 
1 1 1   57    1   19 o   89.218   15.553  3520.49  1085.76  2078.19  1489.64  5155.12  1585.85   67.529   22.845  106.445   19.048 -38.91634 29.74382 
1 1 1   57    1   20 o   44.350   18.130  499.206  1035.94  832.920  1576.67  245.701  1374.19   53.732   22.210   46.478   20.036 7.253925 29.91172 
1 1 1   57    3    0 o  128.012   12.314  6737.77  1264.14  6915.11  1718.26  6528.51  1866.46  129.018   16.801  124.894   19.004 4.123047 25.36602 
1 1 1   57    3    1 o  235.794   14.772 22775.35  2813.89 25059.31  3887.00 20260.41  4078.80  246.583   19.575  220.859   23.086 25.72398 30.26757 
1 1 1   57    3    2 o  141.867   11.545  8250.41  1318.35  9223.10  1758.98  7003.62  1991.45  149.638   14.666  129.344   19.574 20.29451 24.45857 
1 1 1   57    3    3 o  206.859   13.047 17511.83  2180.10 17220.58  2940.02 17867.61  3249.41  204.404   17.895  207.955   19.471 -3.551132 26.44473 
1 1 1   57    3    4 o  443.387   16.757 80368.95  6032.74 79676.59  8465.98 81083.19  8598.72  439.307   23.823  443.128   23.988 -3.821411 33.80746 
1 1 1   57    3    5 o  594.105   21.722 145043.80 10478.68 142826.91 14771.48 147289.70 14867.18  585.042   31.208  594.284   30.917 -9.241760 43.92975 
1 1 1   57    3    6 o  307.554   12.339 38561.00  3081.25 39651.14  4322.49 37434.75  4393.48  310.804   17.195  301.803   18.011 9.001343 24.90084 
1 1 1   57    3    7 f  102.930   9.6194  4350.24  794.634  4819.79  1000.88  3549.61  1306.95  108.137   11.579   91.485   18.234 16.65157 21.60014 
1 1 1   57    3    8 o  188.699   11.124 14563.96  1696.87 13898.85  1975.77 16433.62  3312.61  184.026   13.312  198.756   20.836 -14.73010 24.72589 
1 1 1   57    3    9 o  320.508   12.853 41968.36  3344.91 41784.51  4741.52 42150.50  4719.39  318.242   18.428  319.683   18.257 -1.441345 25.94081 
1 1 1   57    3   10 o  254.958   10.964 26543.46  2269.72 26961.86  3216.12 26128.30  3203.66  255.756   15.561  251.710   15.754 4.046722 22.14369 
1 1 1   57    3   11 o  217.852   13.557 19557.67  2386.22 16456.68  4668.22 20654.51  2776.34  193.855   30.679  223.428   15.398 -29.57295 34.32613 
1 1 1   57    3   12 o  323.100   13.564 42966.45  3558.48 45753.72  5066.17 40252.18  4999.40  330.791   18.941  309.688   19.988 21.10269 27.53707 
1 1 1   57    3   13 o  238.202   11.541 23304.65  2232.08 23820.45  3174.15 22800.08  3139.41  238.876   16.466  233.606   16.660 5.270172 23.42393 
1 1 1   57    3   14 o  257.072   11.816 27212.87  2466.39 26332.20  3516.33 28065.72  3460.34  250.278   17.412  258.842   16.551 -8.564301 24.02298 
1 1 1   57    3   15 o  118.805   11.019  5860.65  1050.88  5928.81  1459.83  5787.33  1513.97  118.217   15.589  116.494   16.464 1.722893 22.67341 
1 1 1   57    3   16 o  182.358   11.187 13787.69  1648.48 13358.42  2351.07 14202.82  2312.03  177.336   16.518  183.285   15.687 -5.948944 22.77974 
1 1 1   57    3   17 o   36.767   14.893  268.263  691.361  959.935  1006.06 -350.6462  951.671   51.143   18.650   35.618   15.954 15.52493 24.54304 
1 1 1   57    3   18 o   81.663   15.326  2921.69  978.927  2678.01  1313.21  3226.44  1468.60   76.464   20.661   83.591   21.512 -7.127220 29.82708 
1 1 1   57    3   19 o   74.675   15.676  2492.39  920.229  4229.67  1250.80  442.451  1358.69   97.509   16.379   48.727   20.417 48.78168 26.17513 
1 1 1   57    3   20 o   70.733   17.289  2326.09  984.561  1567.36  1254.22  3544.35  1589.28   59.074   20.912   84.381   22.700 -25.30696 30.86425 
1 1 1   57    5    0 o  318.902   12.522 41446.30  3242.50 38868.75  3838.80 47864.07  6057.38  308.533   15.323  340.661   22.017 -32.12753 26.82436 
1 1 1   57    5    1 o   73.275   11.189  2236.35  644.621  2406.84  757.339  1788.03  1228.09   75.824   12.754   66.240   20.625 9.583336 24.24969 
1 1 1   57    5    2 o  490.402   25.144 99395.23  9978.28 100809.60 13871.24 97878.47 14364.52  489.823   35.110  481.719   37.008 8.103821 51.01239 
1 1 1   57    5    3 o  147.417   11.271  8902.00  1338.93 10022.24  1711.74  7136.25  2149.06  156.170   13.636  130.267   21.034 25.90294 25.06748 
1 1 1   57    5    4 o  359.884   15.303 52897.93  4471.64 56245.24  6219.27 49315.62  6433.88  369.593   20.809  345.434   23.071 24.15839 31.06929 
1 1 1   57    5    5 o  412.494   14.987 69493.95  5019.64 70330.84  7033.23 68625.08  7166.33  413.260   21.030  408.015   21.709 5.244904 30.22483 
1 1 1   57    5    6 o  286.044   11.884 33350.30  2760.22 35750.04  3860.99 30841.79  3947.53  295.226   16.168  273.828   17.852 21.39783 24.08542 
1 1 1   57    5    7 o  687.453   29.052 196783.00 16216.44 208207.80 19759.23 173210.50 28382.34  703.464   34.593  621.524   56.871 81.93927 66.56596 
1 1 1   57    5    8 o  431.988   18.629 76661.94  6534.40 76060.65  8094.08 77787.21 11072.76  428.254   23.365  429.200   32.003 -0.9462585 39.62491 
1 1 1   57    5    9 o  384.490   14.746 60551.61  4603.60 60235.72  6527.26 60864.26  6493.81  381.150   21.174  383.224   20.949 -2.074707 29.78594 
1 1 1   57    5   10 o  216.873   10.473 19203.71  1844.19 19382.16  2618.64 19028.12  2597.65  216.741   14.972  214.738   14.992 2.003067 21.18763 
1 1 1   57    5   11 o   53.405   12.416  1215.91  528.184  1829.49  702.235  416.608  801.500   65.547   13.638   41.420   16.280 24.12757 21.23780 
1 1 1   57    5   12 o  195.504   10.250 15686.69  1621.52 16375.41  2303.82 15010.56  2282.68  198.744   14.373  190.085   14.909 8.658234 20.70934 
1 1 1   57    5   13 o  214.056   10.962 18853.24  1898.95 18868.47  2716.83 18838.69  2655.26  212.614   15.851  212.575   15.490 0.3947449E-01 22.16320 
1 1 1   57    5   14 o  105.955   10.296  4650.74  874.561  4050.22  1211.86  5303.41  1263.38   97.438   15.863  112.276   14.174 -14.83841 21.27316 
1 1 1   57    5   15 o   31.695   13.346   61.506  585.209 -331.1077  790.144  538.553  870.970   32.375   14.517   43.929   17.055 -11.55386 22.39643 
1 1 1   57    5   16 o   31.682   13.647 -34.1884  636.600 -92.2799  841.945   43.352  972.725   35.787   15.554   39.824   17.005 -4.037037 23.04583 
1 1 1   57    5   17 o   43.991   16.071  689.375  747.559  200.092  949.815  1485.85  1211.84   40.851   17.091   59.999   20.601 -19.14794 26.76771 
1 1 1   57    5   18 o  128.032   11.907  6916.79  1223.67  6741.00  1606.98  7159.39  1887.82  124.382   16.304  126.818   18.912 -2.435623 24.96954 
1 1 1   57    5   19 o   45.746   16.395  818.643  773.215  865.885  938.568  718.856  1364.07   48.190   17.936   51.262   20.863 -3.072239 27.51327 
1 1 1   57    5   20 o   77.057   16.205  2723.43  981.759  2089.31  1203.95  3981.97  1696.12   65.957   20.402   88.835   23.246 -22.87804 30.92900 
1 1 1   57    7    0 o  302.159   25.975 37974.22  6310.72   0.0000   0.0000 37974.22  6310.72  ?   ?   302.159   25.975 0.000000 25.97451 
1 1 1   57    7    1 o  523.393   39.540 116251.90 16679.81   0.0000   0.0000 116251.90 16679.81  ?   ?   523.393   39.540 0.000000 39.54038 
1 1 1   57    7    2 o  316.328   26.065 41601.33  6635.23   0.0000   0.0000 41601.33  6635.23  ?   ?   316.328   26.065 0.000000 26.06542 
1 1 1   57    7    3 o  551.040   41.216 129398.00 18307.50   0.0000   0.0000 129398.00 18307.50  ?   ?   551.040   41.216 0.000000 41.21584 
1 1 1   57    7    4 o  338.063   14.813 46674.39  4066.08 47261.94  4987.35 45509.73  7021.75  339.206   18.174  330.717   26.368 8.488739 32.02427 
1 1 1   57    7    5 o  109.260   10.224  4903.01  896.478  5150.25  1012.17  4003.19  1930.96  111.867   11.298   96.642   24.557 15.22500 27.03160 
1 1 1   57    7    6 o  524.940   20.089 113219.10  8562.67 120544.70 12052.45 105753.20 12167.26  538.133   27.677  502.888   29.933 35.24472 40.76772 
1 1 1   57    7    7 o  158.818   9.5780 10307.84  1229.35 11007.42  1692.18  9525.95  1788.97  163.727   12.832  151.954   14.682 11.77309 19.49931 
1 1 1   57    7    8 o  305.714   13.239 38192.38  3286.39 41341.09  4644.08 35033.94  4651.24  316.665   18.137  290.987   19.804 25.67776 26.85430 
1 1 1   57    7    9 o  284.023   13.391 33018.40  3088.11 32748.46  3849.57 33505.70  5172.21  281.695   16.909  283.126   22.689 -1.431213 28.29680 
1 1 1   57    7   10 o  158.297   8.9010 10251.43  1139.43  7986.11  1570.99 12765.72  1655.07  138.762   14.141  176.264   11.630 -37.50175 18.30877 
1 1 1   57    7   11 o  202.954   10.228 16888.00  1680.09 15211.26  2371.31 18578.10  2380.73  191.383   15.390  212.036   13.905 -20.65370 20.74121 
1 1 1   57    7   12 o  147.553   12.492  9014.83  1482.62  8365.17  3484.52  9158.45  1638.32  135.399   32.170  148.430   13.750 -13.03056 34.98569 
1 1 1   57    7   13 o  129.225   9.5969  6876.32  999.781  6636.94  1392.50  7131.00  1436.32  125.987   13.840  130.669   13.744 -4.681343 19.50497 
1 1 1   57    7   14 o  236.353   11.537 23015.80  2214.03 21363.47  3143.94 24641.44  3118.44  225.054   17.338  242.482   15.927 -17.42853 23.54350 
1 1 1   57    7   15 o  151.947   9.9911  9534.23  1225.79  8519.75  1705.44 10618.41  1763.05  142.078   15.011  159.223   13.773 -17.14485 20.37163 
1 1 1   57    7   16 o   93.495   11.015  3662.03  820.189  3441.76  1090.50  3948.94  1244.55   89.248   15.617   95.380   16.677 -6.132286 22.84799 
1 1 1   57    7   17 o  177.079   11.181 13076.53  1599.43 12598.71  2218.14 13594.06  2308.44  171.384   16.129  178.066   16.142 -6.682327 22.81900 
1 1 1   57    7   18 o   31.420   13.965 -203.9959  714.416 -612.6426  883.192  569.520  1215.11   31.762   14.662   48.446   19.701 -16.68327 24.55813 
1 1 1   57    7   19 o   92.293   14.250  3739.99  1033.48  3076.88  1314.57  4813.07  1672.27   80.760   20.121  100.892   21.092 -20.13161 29.15010 
1 1 1   57    9    3 o  223.209   21.605 20676.94  3866.75   0.0000   0.0000 20676.94  3866.75  ?   ?   223.209   21.605 0.000000 21.60546 
1 1 1   57    9    4 o  488.228   26.089 98950.62 10305.05 102063.30 15031.64 96190.43 14154.93  489.878   38.090  476.163   36.899 13.71530 53.03197 
1 1 1   57    9    5 o  275.046   13.738 30888.48  3068.05 31000.85  3730.96 30653.82  5391.77  274.658   16.811  271.211   24.757 3.446686 29.92517 
1 1 1   57    9    6 o  466.629   16.845 89214.89  6382.53 89204.44  8947.00 89225.73  9107.68  463.908   23.833  463.788   24.270 0.1206360 34.01497 
1 1 1   57    9    7 o  199.910   10.559 16335.22  1707.87 18180.53  2349.86 14269.04  2486.51  210.443   13.829  185.820   16.657 24.62337 21.64944 
1 1 1   57    9    8 o  614.501   21.358 156291.30 10656.87 167676.50 15079.02 144929.91 15063.17  631.096   29.427  584.180   31.877 46.91577 43.38270 
1 1 1   57    9    9 o   62.409   10.168  1630.42  497.521  2023.40  560.977  182.211  1076.90   69.678   10.219   43.799   18.250 25.87921 20.91649 
1 1 1   57    9   10 o  185.074   9.5233 14024.54  1426.25 13005.81  1967.94 15151.66  2069.97  177.375   13.772  191.617   13.388 -14.24222 19.20730 
1 1 1   57    9   11 o  169.045   9.3427 11715.19  1277.39 11258.47  1758.69 12225.19  1858.43  164.895   13.247  171.827   13.427 -6.931503 18.86200 
1 1 1   57    9   12 o  100.942   9.3430  4203.81  757.083  4501.73  991.438  3787.08  1172.56  103.978   11.961   94.319   15.875 9.658562 19.87638 
1 1 1   57    9   13 o  166.090   10.159 11359.97  1363.45 11305.28  1902.29 11417.74  1955.21  164.534   14.384  165.246   14.726 -0.7125854 20.58540 
1 1 1   57    9   14 o   68.312   11.862  1979.06  634.095  1748.30  795.298  2381.72  1050.56   63.485   15.551   73.803   17.749 -10.31805 23.59781 
1 1 1   57    9   15 o  187.401   11.077 14549.49  1678.00 15108.48  2342.81 13960.68  2404.50  189.252   15.379  181.361   16.509 7.891037 22.56258 
1 1 1   57    9   16 o   76.028   12.903  2472.49  768.068  2667.44  975.972  2155.31  1244.88   78.146   15.922   69.660   20.581 8.485893 26.02106 
1 1 1   57    9   17 o  180.997   10.953 13669.89  1602.11 12774.87  2185.57 14709.43  2355.42  172.468   15.782  185.124   15.822 -12.65678 22.34729 
1 1 1   57    9   18 o   59.018   15.035  1551.30  722.473  874.321  919.687  2642.40  1167.58   48.317   17.799   75.830   19.001 -27.51326 26.03575 
1 1 1   57    9   19 f   31.733   13.679   8.8229  640.496 -458.9099  792.574  889.257  1087.40   30.611   14.042   49.653   19.118 -19.04200 23.72073 
1 1 1   57   11    0 o  365.958   30.348 56238.12  8936.49   0.0000   0.0000 56238.12  8936.49  ?   ?   365.958   30.348 0.000000 30.34830 
1 1 1   57   11    1 o  601.252   45.936 156820.20 22256.18   0.0000   0.0000 156820.20 22256.18  ?   ?   601.252   45.936 0.000000 45.93617 
1 1 1   57   11    2 o  147.618   21.101  9139.48  2457.25   0.0000   0.0000  9139.48  2457.25  ?   ?   147.618   21.101 0.000000 21.10131 
1 1 1   57   11    3 o  468.207   36.070 93044.28 13607.16   0.0000   0.0000 93044.28 13607.16  ?   ?   468.207   36.070 0.000000 36.07024 
1 1 1   57   11    4 o  514.979   28.045 110663.10 11682.52 107902.30 17029.33 113117.60 16056.69  499.987   42.345  514.470   38.722 -14.48206 57.37986 
1 1 1   57   11    5 o  179.967   16.485 13377.47  2382.12 10254.63  3933.11 15186.64  2993.64  153.512   32.563  191.222   19.556 -37.70941 37.98405 
1 1 1   57   11    6 o  354.183   17.253 51489.79  4961.67 61904.57  9172.13 47181.37  5899.35  383.243   29.707  337.331   21.653 45.91141 36.76088 
1 1 1   57   11    7 o  314.715   11.226 40426.07  2868.74 39068.95  3978.26 41896.22  4140.62  308.154   15.954  319.520   15.960 -11.36597 22.56675 
1 1 1   57   11    8 o  258.674   11.376 27345.78  2389.35 28385.39  3322.11 26231.69  3439.02  262.320   15.669  251.803   16.919 10.51697 23.05964 
1 1 1   57   11    9 o  238.622   11.099 23295.33  2150.51 22993.82  2998.83 23614.54  3085.57  235.656   15.763  238.756   16.009 -3.100784 22.46712 
1 1 1   57   11   10 o   21.232   8.3953   99.455  214.337  133.195  225.161 -226.3972  699.732   22.508   8.6901   31.341   13.881 -8.832664 16.37654 
1 1 1   57   11   11 o  149.758   9.2810  9207.21  1123.00  9031.91  1490.61  9437.33  1707.79  147.644   12.553  150.546   14.137 -2.902206 18.90559 
1 1 1   57   11   12 o  290.478   11.400 34695.05  2688.74 31039.24  3815.45 38301.46  3789.58  271.984   17.367  303.241   15.442 -31.25717 23.23976 
1 1 1   57   11   13 o  187.005   13.569 14563.65  2046.39 12028.44  5017.35 15069.54  2241.28  156.107   39.540  189.850   14.653 -33.74310 42.16767 
1 1 1   57   11   14 o  107.124   9.6662  4752.33  831.720  4694.77  1047.47  4850.54  1368.22  105.797   12.431  106.365   16.367 -0.5680008 20.55232 
1 1 1   57   11   15 o  184.027   10.347 14015.25  1539.84 13376.58  2100.20 14757.66  2264.38  178.083   14.655  186.918   15.047 -8.834839 21.00410 
1 1 1   57   11   16 o  174.499   10.291 12641.94  1451.66 10783.92  1944.35 14982.05  2182.06  159.009   15.247  188.092   14.397 -29.08246 20.96967 
1 1 1   57   11   17 o  136.452   10.573  7792.00  1162.30  7711.74  1487.89  7917.65  1861.72  134.339   13.839  134.210   17.500 0.1289215 22.31086 
1 1 1   57   11   18 o   38.564   13.148  595.915  493.459  399.676  553.962  1349.95  1085.89   35.710   13.671   56.147   19.489 -20.43618 23.80533 
1 1 1   57   11   19 o  118.944   11.254  6057.17  1073.99  6503.45  1320.04  5183.31  1847.18  121.900   13.567  102.189   22.837 19.71094 26.56267 
1 1 1   57   13    3 f  102.753   23.049  4532.56  1875.66   0.0000   0.0000  4532.56  1875.66  ?   ?   102.753   23.049 0.000000 23.04895 
1 1 1   57   13    4 o  315.760   27.028 41834.48  6862.77   0.0000   0.0000 41834.48  6862.77  ?   ?   315.760   27.028 0.000000 27.02773 
1 1 1   57   13    5 o  227.956   22.765 21728.94  4157.21   0.0000   0.0000 21728.94  4157.21  ?   ?   227.956   22.765 0.000000 22.76455 
1 1 1   57   13    6 o  428.218   24.847 76736.55  8602.01 73504.91 12808.09 79391.91 11610.11  410.363   38.904  430.440   33.482 -20.07642 51.32851 
1 1 1   57   13    7 o   88.777   13.169  3297.21  920.505 -1623.0880  2781.53  3902.34  975.469   58.174   26.543   96.819   12.716 -38.64493 29.43157 
1 1 1   57   13    8 o  262.362   14.762 28416.19  3132.03 29942.13  6415.53 27938.71  3588.75  262.413   30.690  259.398   17.135 3.015167 35.14918 
1 1 1   57   13    9 o  385.337   18.274 61782.10  5717.55 66726.43 10954.12 59930.70  6703.08  386.718   35.274  376.902   21.999 9.816101 41.57127 
1 1 1   57   13   10 o  202.437   9.9080 16776.89  1628.60 15060.46  1946.78 20778.87  2972.63  190.908   12.630  223.079   16.529 -32.17073 20.80219 
1 1 1   57   13   11 o   86.691   8.0933  3096.63  563.100  2552.18  653.186  4672.20  1111.16   78.182   10.560  105.601   13.251 -27.41867 16.94370 
1 1 1   57   13   12 f   62.664   9.1625  1641.84  452.423  1628.04  507.873  1694.90  995.745   62.140   10.436   62.797   18.366 -0.6572533 21.12346 
1 1 1   57   13   13 o  112.652   14.221  5358.76  1271.78  8823.98  4022.68  4973.94  1340.54  134.362   36.101  108.002   15.750 26.35991 39.38739 
1 1 1   57   13   14 o   73.627   9.4781  2264.59  553.472  2189.24  635.323  2501.82  1127.27   71.969   11.239   75.222   18.568 -3.252480 21.70511 
1 1 1   57   13   15 o   77.533   9.4574  2512.42  583.039  1809.63  678.952  4486.15  1137.81   64.676   13.371  102.567   14.030 -37.89131 19.38087 
1 1 1   57   13   16 o   98.153   9.8033  4025.42  770.839  4421.02  907.678  3001.99  1459.92  102.519   11.080   80.705   21.776 21.81356 24.43252 
1 1 1   57   13   17 o   93.359   10.266  3673.77  765.347  4444.06  893.496  1551.27  1483.17  102.554   10.897   61.478   22.610 41.07576 25.09893 
1 1 1   57   13   18 o   94.735   10.087  3802.07  764.000  3491.53  875.424  4794.35  1564.86   89.834   12.327  101.212   19.751 -11.37806 23.28176 
1 1 1   57   15    0 o   85.592   26.142  3070.24  1983.81   0.0000   0.0000  3070.24  1983.81  ?   ?    85.592   26.142 0.000000 26.14171 
1 1 1   57   15    1 o  218.777   24.901 20134.64  4344.58   0.0000   0.0000 20134.64  4344.58  ?   ?   218.777   24.901 0.000000 24.90089 
1 1 1   57   15    4 o  652.351   55.160 197117.41 28943.51 197117.41 28943.51   0.0000   0.0000  652.351   55.160  ?   ?  0.000000 55.15956 
1 1 1   57   15    6 o  116.898   21.475  5861.57  1963.23   0.0000   0.0000  5861.57  1963.23  ?   ?   116.898   21.475 0.000000 21.47494 
1 1 1   57   15    7 o  405.236   23.116 69262.80  7574.37   0.0000   0.0000 69262.80  7574.37  ?   ?   405.236   23.116 0.000000 23.11556 
1 1 1   57   15    8 o  396.846   18.111 65561.49  5835.94 83056.66 11299.21 59196.48  6815.35  434.212   32.279  373.957   22.551 60.25500 39.37640 
1 1 1   57   15    9 o  253.317   14.521 26613.15  2974.24 26756.57  6356.97 26572.96  3365.29  243.860   32.948  252.349   16.515 -8.488876 36.85589 
1 1 1   57   15   10 o  127.243   18.804  6929.52  1884.20  5238.21  3984.47  7416.67  2138.41  108.227   37.345  131.014   20.797 -22.78650 42.74500 
1 1 1   57   15   11 o  130.183   13.361  7084.12  1392.28 10766.41  4221.12  6634.62  1474.81  150.447   35.183  125.548   14.748 24.89951 38.14892 
1 1 1   57   15   12 o   40.762   16.780  253.479  895.107 -743.1735  3515.36  322.577  925.616   68.282   30.619   42.130   17.171 26.15201 35.10477 
1 1 1   57   15   13 o   92.012   15.994  3652.39  1151.56 -278.4380  3737.03  4064.80  1210.46   71.690   31.899   97.219   15.883 -25.52838 35.63409 
1 1 1   57   15   14 o   28.327   10.367  269.112  311.248   78.280  326.146  2215.89  1041.70   24.555   10.121   70.690   18.077 -46.13526 20.71786 
1 1 1   57   15   15 o   72.933   9.1316  2226.85  528.915  2283.33  598.537  2025.57  1129.94   73.572   10.302   67.287   19.531 6.285713 22.08163 
1 1 1   57   15   16 o   33.417   11.111  445.688  352.437  560.107  369.451 -711.4500  1174.90   36.568   11.300   36.982   17.014 -0.4142838 20.42440 
1 1 1   57   15   17 o   66.585   10.164  1893.33  532.072  1665.09  580.269  3098.54  1333.43   61.787   11.999   81.060   20.303 -19.27205 23.58360 
1 1 1   57   15   18 o   94.233   9.8771  3773.70  744.508  4252.57  831.029  1826.48  1675.76   99.853   10.403   63.394   23.893 36.45871 26.05971 
1 1 1   57   17    0 o  546.391   44.538 133328.70 19587.40   0.0000   0.0000 133328.70 19587.40  ?   ?   546.391   44.538 0.000000 44.53797 
1 1 1   57   17    1 o  303.050   28.478 39051.09  6925.27   0.0000   0.0000 39051.09  6925.27  ?   ?   303.050   28.478 0.000000 28.47790 
1 1 1   57   17    2 o  167.882   23.624 11973.97  3131.20   0.0000   0.0000 11973.97  3131.20  ?   ?   167.882   23.624 0.000000 23.62390 
1 1 1   57   17    3 o  348.371   30.337 52060.15  8495.64   0.0000   0.0000 52060.15  8495.64  ?   ?   348.371   30.337 0.000000 30.33695 
1 1 1   57   17    4 o  259.433   19.532 28094.91  4084.18 27870.47  6462.75 28244.14  5269.90  252.621   32.242  257.673   25.524 -5.052002 41.12227 
1 1 1   57   17    5 o  204.381   32.516 18500.78  5215.31 18500.78  5215.31   0.0000   0.0000  204.381   32.516  ?   ?  0.000000 32.51614 
1 1 1   57   17    6 o  116.309   36.534  6099.22  3843.84  6099.22  3843.84   0.0000   0.0000  116.309   36.534  ?   ?  0.000000 36.53365 
1 1 1   57   17    7 o   29.444   12.508   12.608  521.376   0.0000   0.0000   12.608  521.376  ?   ?    29.444   12.508 0.000000 12.50823 
1 1 1   57   17    8 o  143.996   13.820  8640.60  1596.03   0.0000   0.0000  8640.60  1596.03  ?   ?   143.996   13.820 0.000000 13.82044 
1 1 1   57   17    9 o  155.301   13.973 10062.08  1743.12   0.0000   0.0000 10062.08  1743.12  ?   ?   155.301   13.973 0.000000 13.97295 
1 1 1   57   17   10 f   39.652   17.076 -39.0948  996.038 -289.7304  3449.63 -16.2990  1040.35   70.095   30.943   40.728   17.494 29.36681 35.54603 
1 1 1   57   17   11 o  132.874   14.151  7424.71  1503.23  9853.08  4779.66  7158.14  1583.59  139.550   40.073  130.071   15.286 9.479019 42.88932 
1 1 1   57   17   12 o  143.334   14.368  8662.89  1649.66  7071.32  4756.03  8880.56  1758.85  118.105   40.798  144.833   15.182 -26.72737 43.53122 
1 1 1   57   17   13 f  211.957   15.559 19046.15  2658.96 17347.65  7188.12 19315.40  2861.96  171.244   49.134  212.779   16.699 -41.53554 51.89404 
1 1 1   57   17   14 o   76.595   20.443  2660.72  1295.07  3383.86  4488.26  2595.04  1352.60   91.605   37.626   75.562   21.189 16.04256 43.18250 
1 1 1   57   17   15 o   57.493   20.375  1353.27  1190.91  2542.38  5611.30  1297.18  1218.68   89.174   39.410   56.970   20.564 32.20470 44.45292 
1 1 1   57   17   16 o   62.553   21.194  1751.56  1282.14 -2387.9500  5208.92  2018.54  1322.84   69.339   33.101   66.206   21.502 3.133583 39.47145 
1 1 1   57   17   17 o  128.535   19.816  7736.06  2001.68   0.0000   0.0000  7736.06  2001.68  ?   ?   128.535   19.816 0.000000 19.81628 
1 1 1   57   19    0 o  144.032   27.472  9092.87  3095.64   0.0000   0.0000  9092.87  3095.64  ?   ?   144.032   27.472 0.000000 27.47246 
1 1 1   57   19    1 o  126.337   27.181  7034.27  2705.62   0.0000   0.0000  7034.27  2705.62  ?   ?   126.337   27.181 0.000000 27.18143 
1 1 1   57   19    2 o  230.823   25.446 22846.27  4689.83   0.0000   0.0000 22846.27  4689.83  ?   ?   230.823   25.446 0.000000 25.44588 
1 1 1   57   19    3 o  165.644   24.285 11838.85  3169.33   0.0000   0.0000 11838.85  3169.33  ?   ?   165.644   24.285 0.000000 24.28547 
1 1 1   57   19    4 o  292.940   28.067 37308.92  6594.33   0.0000   0.0000 37308.92  6594.33  ?   ?   292.940   28.067 0.000000 28.06748 
1 1 1   57   19    5 o  191.626   19.358 15532.10  2970.69 17094.74  5559.70 14907.69  3514.46  191.779   37.045  185.809   23.845 5.970749 44.05527 
1 1 1   57   19    6 o  190.727   20.184 15480.21  3078.23 15682.04  5679.52 15396.26  3662.87  180.992   39.736  188.192   24.556 -7.200302 46.71103 
1 1 1   57   19    7 o   70.902   19.203  2187.86  1132.78 13087.14  4187.09  1327.11  1176.66  169.158   31.648   58.496   20.288 110.6625 37.59249 
1 1 1   57   19    8 o  195.657   16.725 16123.75  2631.57 29853.31  5813.27 12585.14  2951.27  259.065   28.086  170.506   21.818 88.55914 35.56413 
1 1 1   57   19    9 o  131.873   18.439  7470.71  1920.39   0.0000   0.0000  7470.71  1920.39  ?   ?   131.873   18.439 0.000000 18.43898 
1 1 1   57   19   10 o   77.631   25.010  2633.68  1792.21   0.0000   0.0000  2633.68  1792.21  ?   ?    77.631   25.010 0.000000 25.00987 
1 1 1   57   19   11 o  126.913   15.137  6844.44  1529.11   0.0000   0.0000  6844.44  1529.11  ?   ?   126.913   15.137 0.000000 15.13740 
1 1 1   57   19   12 o  173.397   14.839 12735.74  2069.09 16540.56  6565.38 12316.18  2180.19  170.036   46.304  169.937   15.988 0.9974670E-01 48.98628 
1 1 1   57   19   13 o  165.158   15.817 11695.15  2095.12  7824.84  6941.40 12083.08  2197.61  116.213   47.151  167.592   16.358 -51.37939 49.90760 
1 1 1   57   19   14 o  101.814   19.431  4685.21  1547.77 11637.29  6577.85  4277.74  1592.48  130.770   47.688   96.433   20.938 34.33701 52.08184 
1 1 1   57   19   15 f   91.071   20.642  3880.74  1491.11  3326.81  5945.80  3917.92  1540.34   89.347   39.960   91.210   21.201 -1.863541 45.23567 
1 1 1   57   19   16 o   48.907   19.361  784.979  1141.16   0.0000   0.0000  784.979  1141.16  ?   ?    48.907   19.361 0.000000 19.36101 
1 1 1   57   21    0 o  161.315   29.016 11644.35  3660.86   0.0000   0.0000 11644.35  3660.86  ?   ?   161.315   29.016 0.000000 29.01605 
1 1 1   57   21    1 o  112.546   27.418  5699.50  2482.48   0.0000   0.0000  5699.50  2482.48  ?   ?   112.546   27.418 0.000000 27.41833 
1 1 1   57   21    2 o  178.012   26.611 13960.08  3728.26   0.0000   0.0000 13960.08  3728.26  ?   ?   178.012   26.611 0.000000 26.61060 
1 1 1   57   21    3 o  152.721   26.101 10323.87  3120.39   0.0000   0.0000 10323.87  3120.39  ?   ?   152.721   26.101 0.000000 26.10114 
1 1 1   57   21    4 o  208.947   25.263 19091.53  4198.97   0.0000   0.0000 19091.53  4198.97  ?   ?   208.947   25.263 0.000000 25.26254 
1 1 1   57   21    5 o   45.345   18.745  294.202  1123.30 -3359.9150  4034.27  601.311  1169.55   64.163   30.182   49.370   19.583 14.79227 35.97839 
1 1 1   57   21    6 f  100.950   24.650  4584.30  2003.03  5742.06  4784.93  4338.31  2205.58  112.033   40.700   97.757   26.928 14.27547 48.80195 
1 1 1   57   21    7 o  145.931   13.097  8891.99  1535.32 13964.82  5626.56  8483.89  1595.88  165.786   41.806  142.237   14.000 23.54951 44.08783 
1 1 1   57   21    8 o   71.123   15.946  2200.63  898.140  5656.81  5007.34  2085.75  912.945  110.356   41.359   69.128   16.495 41.22830 44.52715 
1 1 1   57   21    9 o   49.060   17.285  914.424  855.849 -974.6370  5561.96  960.237  866.164   82.460   37.588   49.887   17.401 32.57239 41.42068 
1 1 1   57   21   10 o   70.206   32.824 -2572.2190  4649.26 -2572.2190  4649.26   0.0000   0.0000   70.206   32.824  ?   ?  0.000000 32.82446 
1 1 1   57   21   11 o  108.489   21.514  5309.60  1828.21   0.0000   0.0000  5309.60  1828.21  ?   ?   108.489   21.514 0.000000 21.51401 
1 1 1   57   21   12 o   77.614   19.353  2724.73  1215.46   0.0000   0.0000  2724.73  1215.46  ?   ?    77.614   19.353 0.000000 19.35323 
1 1 1   57   21   13 o   74.894   20.091  2579.24  1247.03 -2785.5750  5626.28  2856.40  1278.83   72.810   34.659   78.823   19.960 -6.013412 39.99554 
1 1 1   57   21   14 o   72.017   21.717  2445.76  1375.47 13666.86  7361.89  2039.89  1400.13  128.747   49.695   66.633   22.145 62.11398 54.40587 
1 1 1   57   21   15 o   41.393   18.631 -317.6148  1315.07   0.0000   0.0000 -317.6148  1315.07  ?   ?    41.393   18.631 0.000000 18.63070 
1 1 1   57   21   16 o  115.607   20.604  6492.80  1863.18   0.0000   0.0000  6492.80  1863.18  ?   ?   115.607   20.604 0.000000 20.60409 
1 1 1   57   23    0 o  220.843   31.145 22345.45  5429.76   0.0000   0.0000 22345.45  5429.76  ?   ?   220.843   31.145 0.000000 31.14489 
1 1 1   57   23    1 o  123.999   31.302  7209.31  3151.93   0.0000   0.0000  7209.31  3151.93  ?   ?   123.999   31.302 0.000000 31.30177 
1 1 1   57   23    2 o  132.508   29.658  8123.93  3111.30   0.0000   0.0000  8123.93  3111.30  ?   ?   132.508   29.658 0.000000 29.65755 
1 1 1   57   23    3 o   52.617   22.739  -8.4300  1779.02   0.0000   0.0000  -8.4300  1779.02  ?   ?    52.617   22.739 0.000000 22.73917 
1 1 1   57   23    4 o  206.607   27.604 19219.41  4514.91   0.0000   0.0000 19219.41  4514.91  ?   ?   206.607   27.604 0.000000 27.60355 
1 1 1   57   23    5 o  226.316   27.988 23161.15  5033.53   0.0000   0.0000 23161.15  5033.53  ?   ?   226.316   27.988 0.000000 27.98833 
1 1 1   57   23    6 o   80.307   14.035  2761.32  881.854 -3894.8379  5404.92  2943.36  893.831   73.097   34.552   83.057   13.734 -9.960091 37.18147 
1 1 1   57   23    7 o   62.575   15.505  1708.43  783.757  3995.29  5535.13  1661.64  791.734  101.522   41.752   61.700   15.750 39.82157 44.62400 
1 1 1   57   23    8 o   60.642   17.255  1606.20  890.166 13667.50  5990.87  1333.90  900.158  156.510   44.841   56.059   17.689 100.4504 48.20398 
1 1 1   57   23    9 o   36.414   15.578   24.237  819.117  6122.05  6129.75 -86.6307  826.530  110.368   44.473   35.394   15.397 74.97351 47.06281 
1 1 1   57   23   10 o   62.497   18.708  1723.35  1023.51 -2032.5551  7618.63  1792.38  1032.87   87.055   41.111   63.607   18.734 23.44810 45.17804 
1 1 1   57   23   11 o   62.588   21.650  1665.50  1339.48  1904.75  8226.68  1658.98  1357.60   96.102   44.498   62.603   21.787 33.49813 49.54542 
1 1 1   57   23   12 o   98.807   22.624  4608.72  1775.95  5021.15  7776.17  4586.02  1824.16   99.931   45.111   98.203   23.239 1.727837 50.74456 
1 1 1   57   23   13 o   25.852   12.639 -1554.7090  880.448   0.0000   0.0000 -1554.7090  880.448  ?   ?    25.852   12.639 0.000000 12.63857 
1 1 1   57   23   14 o   57.478   22.031  1343.47  1439.85   0.0000   0.0000  1343.47  1439.85  ?   ?    57.478   22.031 0.000000 22.03111 
1 1 1   57   23   15 o   53.266   22.028  928.904  1551.96   0.0000   0.0000  928.904  1551.96  ?   ?    53.266   22.028 0.000000 22.02784 
1 1 1   57   25    0 o  110.855   10.965  5124.92  974.065   0.0000   0.0000  5124.92  974.065  ?   ?   110.855   10.965 0.000000 10.96541 
1 1 1   57   25    1 o  147.936   33.583 10656.94  3941.80   0.0000   0.0000 10656.94  3941.80  ?   ?   147.936   33.583 0.000000 33.58342 
1 1 1   57   25    2 o  108.215   32.131  5651.13  3028.16   0.0000   0.0000  5651.13  3028.16  ?   ?   108.215   32.131 0.000000 32.13071 
1 1 1   57   25    3 o  109.100   33.093  5796.00  3187.15   0.0000   0.0000  5796.00  3187.15  ?   ?   109.100   33.093 0.000000 33.09341 
1 1 1   57   25    4 o   86.114   32.812  3025.30  3182.03   0.0000   0.0000  3025.30  3182.03  ?   ?    86.114   32.812 0.000000 32.81204 
1 1 1   57   25    5 o   41.180   14.582  629.968  609.897   0.0000   0.0000  629.968  609.897  ?   ?    41.180   14.582 0.000000 14.58226 
1 1 1   57   25    6 o   99.222   13.440  4186.67  1054.91  396.878  6841.27  4278.98  1067.68   91.553   41.716  100.327   13.445 -8.773636 43.82901 
1 1 1   57   25    7 o   82.476   15.740  2969.59  1015.62   0.0000   0.0000  2969.59  1015.62  ?   ?    82.476   15.740 0.000000 15.74004 
1 1 1   57   25    8 o   49.465   15.809  1030.70  717.214 -180.5924  7047.96  1043.38  720.956   88.726   41.120   49.722   15.846 39.00483 44.06719 
1 1 1   57   25    9 o   48.299   21.856 -614.5901  1838.19  2403.13  7547.84 -804.8585  1895.25   95.667   43.678   48.002   21.905 47.66444 48.86314 
1 1 1   57   25   10 o  123.751   16.960  6742.94  1659.38  5542.15  7637.67  6802.43  1699.98  102.267   45.546  124.087   17.347 -21.82008 48.73750 
1 1 1   57   25   11 o   86.211   20.791  3491.42  1438.48 12602.62 10347.41  3311.87  1452.58  115.472   52.090   83.683   21.318 31.78885 56.28323 
1 1 1   57   25   12 o  141.487   17.838  9055.57  2003.79   0.0000   0.0000  9055.57  2003.79  ?   ?   141.487   17.838 0.000000 17.83849 
1 1 1   57   25   13 o  102.498   25.722  5509.27  2137.31   0.0000   0.0000  5509.27  2137.31  ?   ?   102.498   25.722 0.000000 25.72211 
1 1 1   57   27    0 f   92.249   17.014  3738.04  1227.42   0.0000   0.0000  3738.04  1227.42  ?   ?    92.249   17.014 0.000000 17.01358 
1 1 1   57   27    1 o  127.720   10.112  6787.43  1040.09   0.0000   0.0000  6787.43  1040.09  ?   ?   127.720   10.112 0.000000 10.11205 
1 1 1   57   27    2 o  165.469   11.571 11443.52  1544.85   0.0000   0.0000 11443.52  1544.85  ?   ?   165.469   11.571 0.000000 11.57109 
1 1 1   57   27    3 o   95.794   12.001  3881.13  913.002   0.0000   0.0000  3881.13  913.002  ?   ?    95.794   12.001 0.000000 12.00145 
1 1 1   57   27    4 o   82.974   13.219  2953.63  860.726   0.0000   0.0000  2953.63  860.726  ?   ?    82.974   13.219 0.000000 13.21920 
1 1 1   57   27    5 o   24.906   11.299 -269.3687  494.969   0.0000   0.0000 -269.3687  494.969  ?   ?    24.906   11.299 0.000000 11.29903 
1 1 1   57   27    6 o   82.378   15.577  2979.58  1003.78   0.0000   0.0000  2979.58  1003.78  ?   ?    82.378   15.577 0.000000 15.57746 
1 1 1   57   27    7 o   72.468   16.879  2352.75  974.687  4029.11  8555.39  2330.70  981.075  100.587   46.140   72.076   17.034 28.51091 49.18357 
1 1 1   57   27    8 o   56.775   24.499  396.517  2058.65  7174.17  7106.30 -224.3914  2150.89  106.423   45.716   53.932   24.084 52.49094 51.67202 
1 1 1   57   27    9 o   48.722   19.291  727.218  1133.12 -1858.6830  9587.41  763.851  1141.12   86.473   42.150   49.233   19.402 37.23973 46.40094 
1 1 1   57   27   10 o   31.877   14.929 -814.9908  968.858   0.0000   0.0000 -814.9908  968.858  ?   ?    31.877   14.929 0.000000 14.92938 
1 1 1   57   27   11 o   85.882   22.998  3699.55  1635.78   0.0000   0.0000  3699.55  1635.78  ?   ?    85.882   22.998 0.000000 22.99835 
1 1 1   57   27   12 o   75.186   22.940  2911.05  1528.17   0.0000   0.0000  2911.05  1528.17  ?   ?    75.186   22.940 0.000000 22.93973 
1 1 1   57   29    0 o   63.414   19.679  1804.58  1119.10   0.0000   0.0000  1804.58  1119.10  ?   ?    63.414   19.679 0.000000 19.67912 
1 1 1   57   29    1 o  330.473   60.432 81314.21 15618.45   0.0000   0.0000 81314.21 15618.45  ?   ?   330.473   60.432 0.000000 60.43237 
1 1 1   57   29    2 o   85.871   10.454  3112.90  713.860   0.0000   0.0000  3112.90  713.860  ?   ?    85.871   10.454 0.000000 10.45407 
1 1 1   57   29    3 o  140.037   11.874  8286.58  1337.45   0.0000   0.0000  8286.58  1337.45  ?   ?   140.037   11.874 0.000000 11.87423 
1 1 1   57   29    4 o  113.378   13.083  5504.63  1182.29   0.0000   0.0000  5504.63  1182.29  ?   ?   113.378   13.083 0.000000 13.08285 
1 1 1   57   29    5 o  153.123   13.419 10035.02  1651.57   0.0000   0.0000 10035.02  1651.57  ?   ?   153.123   13.419 0.000000 13.41905 
1 1 1   57   29    6 o   83.357   15.606  3092.50  1017.44   0.0000   0.0000  3092.50  1017.44  ?   ?    83.357   15.606 0.000000 15.60607 
1 1 1   57   29    7 f   54.832   24.021  263.722  2042.70   0.0000   0.0000  263.722  2042.70  ?   ?    54.832   24.021 0.000000 24.02077 
1 1 1   57   29    8 o   57.702   19.918  1483.15  1133.54   0.0000   0.0000  1483.15  1133.54  ?   ?    57.702   19.918 0.000000 19.91834 
1 1 1   57   29    9 o   53.973   19.807  1234.61  1137.39   0.0000   0.0000  1234.61  1137.39  ?   ?    53.973   19.807 0.000000 19.80729 
1 1 1   57   29   10 o   54.346   20.839  1231.18  1288.56   0.0000   0.0000  1231.18  1288.56  ?   ?    54.346   20.839 0.000000 20.83897 
1 1 1   57   31    0 o   96.853   23.894  4638.17  1867.43   0.0000   0.0000  4638.17  1867.43  ?   ?    96.853   23.894 0.000000 23.89382 
1 1 1   57   31    1 o   31.587   10.013  413.333  288.143   0.0000   0.0000  413.333  288.143  ?   ?    31.587   10.013 0.000000 10.01266 
1 1 1   57   31    2 o   14.129   6.5849 -169.9958  184.737   0.0000   0.0000 -169.9958  184.737  ?   ?    14.129   6.5849 0.000000 6.584947 
1 1 1   57   31    3 o   59.716   13.528  1588.44  640.712   0.0000   0.0000  1588.44  640.712  ?   ?    59.716   13.528 0.000000 13.52750 
1 1 1   57   31    4 o   23.835   10.809 -229.3590  452.475   0.0000   0.0000 -229.3590  452.475  ?   ?    23.835   10.809 0.000000 10.80928 
1 1 1   57   31    5 o   67.405   27.534  1893.87  2386.94   0.0000   0.0000  1893.87  2386.94  ?   ?    67.405   27.534 0.000000 27.53418 
1 1 1   57   31    6 o  100.808   31.997  6104.46  2941.87   0.0000   0.0000  6104.46  2941.87  ?   ?   100.808   31.997 0.000000 31.99728 
1 1 1   57   31    7 o   68.429   20.101  2297.90  1190.52   0.0000   0.0000  2297.90  1190.52  ?   ?    68.429   20.101 0.000000 20.10143 
1 1 1   57   31    8 o   25.186   12.456 -1909.9640  939.241   0.0000   0.0000 -1909.9640  939.241  ?   ?    25.186   12.456 0.000000 12.45592 
1 1 1   57   33    0 o   58.599   23.338  1447.46  1667.37   0.0000   0.0000  1447.46  1667.37  ?   ?    58.599   23.338 0.000000 23.33799 
1 1 1   57   33    1 o   71.699   9.7095  2207.78  550.723   0.0000   0.0000  2207.78  550.723  ?   ?    71.699   9.7095 0.000000 9.709544 
1 1 1   57   33    2 o   89.544   10.552  3456.58  752.502   0.0000   0.0000  3456.58  752.502  ?   ?    89.544   10.552 0.000000 10.55248 
1 1 1   57   33    3 o   29.115   11.165  266.453  369.904   0.0000   0.0000  266.453  369.904  ?   ?    29.115   11.165 0.000000 11.16504 
1 1 1   57   33    4 o   49.396   14.855  1120.35  644.250   0.0000   0.0000  1120.35  644.250  ?   ?    49.396   14.855 0.000000 14.85544 
1 1 1   57   33    5 o   71.171   33.278  2339.89  4780.41   0.0000   0.0000  2339.89  4780.41  ?   ?    71.171   33.278 0.000000 33.27839 
1 1 1   57   33    6 o   52.878   26.123 -3650.9609  4091.26   0.0000   0.0000 -3650.9609  4091.26  ?   ?    52.878   26.123 0.000000 26.12269 
1 1 1   57   35    0 o   58.041   29.056 -3293.6951  5788.11   0.0000   0.0000 -3293.6951  5788.11  ?   ?    58.041   29.056 0.000000 29.05633 
1 1 1   58    0    0 o  809.906   59.808 283274.59 38837.71   0.0000   0.0000 283274.59 38837.71  809.906   59.808  809.906   59.808 0.000000 0.000000 
1 1 1   58    0    1 o   47.889   21.427  1352.04  887.011   0.0000   0.0000  1352.04  887.011   47.889   21.427   47.889   21.427 0.000000 0.000000 
1 1 1   58    0    2 o  452.853   34.175 86050.91 12401.50   0.0000   0.0000 86050.91 12401.50  452.853   34.175  452.853   34.175 0.000000 0.000000 
1 1 1   58    0    3 o  209.825   19.487 18432.35  3254.26   0.0000   0.0000 18432.35  3254.26  209.825   19.487  209.825   19.487 0.000000 0.000000 
1 1 1   58    0    4 o   95.440   13.362  3919.04  977.356  5641.96  1881.46  3282.30  1143.79  110.591   23.887   83.855   19.296 0.000000 0.000000 
1 1 1   58    0    5 o  687.979   50.415 203596.59 27815.18   0.0000   0.0000 203596.59 27815.18  687.979   50.415  687.979   50.415 0.000000 0.000000 
1 1 1   58    0    6 o  148.217   12.653  9138.55  1497.19 11771.79  2675.29  7937.76  1806.59  165.902   20.736  136.397   17.030 0.000000 0.000000 
1 1 1   58    0    7 o  234.506   14.835 22695.08  2798.75 25664.36  4587.87 20935.15  3532.09  246.814   23.375  223.604   19.812 0.000000 0.000000 
1 1 1   58    0    8 o  397.013   22.344 65367.54  7150.70 61501.07 10727.59 68459.11  9592.56  378.744   35.607  403.217   29.669 0.000000 0.000000 
1 1 1   58    0    9 o   60.542   17.165  1814.63  730.890  4025.56  1862.44  1412.14  794.636   86.855   29.479   49.819   20.118 0.000000 0.000000 
1 1 1   58    0   10 o   17.192   12.611 -3084.6331  1157.54 -3084.6331  1157.54   0.0000   0.0000   17.192   12.611   17.192   12.611 0.000000 0.000000 
1 1 1   58    0   11 f   80.785   16.119  2972.48  938.484  5768.11  1964.71  2146.04  1068.23  110.324   25.171   62.434   22.842 0.000000 0.000000 
1 1 1   58    0   12 o  146.141   15.124  9065.05  1750.66  5444.60  3120.97 10727.20  2114.68   93.640   40.136  158.583   16.907 0.000000 0.000000 
1 1 1   58    0   13 o  228.030   15.581 21783.26  2854.00 24853.98  4800.19 20104.21  3549.52  237.992   25.588  216.359   20.636 0.000000 0.000000 
1 1 1   58    0   14 o   36.019   20.373  735.817  916.083  324.097  2058.66  837.475  1022.95   41.986   26.872   38.201   21.559 0.000000 0.000000 
1 1 1   58    0   15 f  114.840   16.974  5839.96  1481.18  5589.27  3045.35  5917.64  1695.20   92.835   39.634  113.738   20.276 0.000000 0.000000 
1 1 1   58    0   16 o   34.104   20.640  528.673  1052.95 -3103.7080  2530.98  1288.94  1157.92   31.674   22.551   44.927   23.741 0.000000 0.000000 
1 1 1   58    0   17 o   81.068   24.445  3500.59  1403.07  5807.22  3395.34  3025.59  1540.78   88.420   41.787   70.588   27.923 0.000000 0.000000 
1 1 1   58    0   18 o   24.121   16.719 -807.6234  1133.42  3502.18  3748.46 -1241.3051  1189.08   65.161   39.188   22.823   16.097 0.000000 0.000000 
1 1 1   58    0   19 o   58.598   27.243  2388.06  1438.32  5371.66  4102.23  1969.87  1535.81   72.253   42.149   51.775   27.347 0.000000 0.000000 
1 1 1   58    0   20 o   22.445   16.053 -1683.6770  1340.02  2193.66  4150.12 -2134.9641  1415.86   51.867   34.838   21.914   15.799 0.000000 0.000000 
1 1 1   58    2    0 o  399.022   21.509 65548.94  6942.91 63050.04  9754.56 68114.70  9884.23  388.359   31.197  404.050   30.350 -15.69034 43.52438 
1 1 1   58    2    1 o  173.149   12.898 12287.39  1800.40 11410.72  2492.16 13244.37  2603.81  165.902   18.834  179.008   18.166 -13.10608 26.16751 
1 1 1   58    2    2 o  300.535   16.947 37039.59  4118.56 37426.79  5737.03 36627.84  5916.13  300.687   23.690  297.183   24.742 3.503876 34.25493 
1 1 1   58    2    3 o  587.581   30.025 143638.59 14276.99 152930.09 20078.34 134136.09 20305.01  599.869   41.477  559.369   45.089 40.50031 61.26470 
1 1 1   58    2    4 o  332.112   13.122 44975.73  3538.50 45492.12  4959.34 44440.23  5050.29  332.812   18.424  328.810   18.997 4.002075 26.46372 
1 1 1   58    2    5 o  433.361   16.170 76773.28  5689.67 78514.73  8010.68 75000.41  8082.64  436.228   22.694  426.094   23.452 10.13327 32.63503 
1 1 1   58    2    6 o  444.271   18.488 80897.10  6669.09 82663.26  8262.31 77595.02 11297.44  447.433   22.818  429.711   32.623 17.72208 39.81090 
1 1 1   58    2    7 o   21.624   9.6464 -144.5020  344.125 -525.2546  424.092  589.474  588.816   20.221   9.5935   40.659   14.335 -20.43766 17.24936 
1 1 1   58    2    8 o  407.504   15.053 67935.25  4980.73 66693.41  7044.00 69176.95  7043.65  401.565   21.684  409.133   21.276 -7.567596 30.37881 
1 1 1   58    2    9 o  210.271   11.925 18110.60  2027.60 18290.73  2374.46 17625.60  3896.19  210.978   13.939  204.720   23.888 6.257965 27.65796 
1 1 1   58    2   10 o  387.230   15.161 61595.59  4766.98 65998.00  6752.71 57222.23  6730.40  398.203   20.959  370.009   22.509 28.19455 30.75606 
1 1 1   58    2   11 o  306.425   13.073 38540.44  3252.77 39770.30  4613.99 37325.27  4586.35  309.089   18.469  299.198   18.977 9.890869 26.48078 
1 1 1   58    2   12 o  438.295   16.843 79703.11  5994.23 81799.52  8491.79 77621.13  8462.51  438.685   23.931  426.828   24.521 11.85721 34.26289 
1 1 1   58    2   13 o   63.571   13.290  1727.03  663.906  2072.49  952.221  1400.24  926.133   69.208   17.055   57.874   17.893 11.33409 24.71898 
1 1 1   58    2   14 o  152.985   10.181  9645.91  1257.47  9861.21  1783.61  9433.15  1773.10  153.539   14.478  150.061   14.742 3.478287 20.66262 
1 1 1   58    2   15 o  149.515   11.091  9259.93  1336.80 10631.07  1932.38  8001.48  1851.27  158.948   15.156  137.060   17.000 21.88788 22.77516 
1 1 1   58    2   16 o  165.212   10.997 11321.94  1466.74 10101.21  2074.69 12541.73  2073.88  153.789   16.893  172.408   14.963 -18.61880 22.56670 
1 1 1   58    2   17 o   87.662   13.556  3287.35  933.744  3323.14  1256.17  3243.16  1395.87   86.483   18.451   84.747   20.507 1.736198 27.58613 
1 1 1   58    2   18 o   29.491   13.486 -435.9882  723.134  448.451  1063.74 -1195.9010  986.012   45.166   18.408   30.261   14.434 14.90495 23.39154 
1 1 1   58    2   19 o   33.345   14.907 -251.7433  826.545 -2914.8240  1062.11  3837.64  1316.15   24.544   12.310   91.703   18.317 -67.15903 22.06924 
1 1 1   58    2   20 o  132.626   14.064  7726.63  1491.42  9142.72  2127.02  6357.06  2091.80  140.077   19.207  112.832   23.591 27.24550 30.42128 
1 1 1   58    4    0 o  549.110   27.717 125056.60 12317.86 108095.40 17292.56 142527.59 17550.48  503.100   42.736  581.388   37.376 -78.28763 56.77460 
1 1 1   58    4    1 o  395.593   21.303 64428.37  6817.51 68477.11  9487.32 60105.48  9803.27  405.513   29.005  378.676   32.189 26.83737 43.32909 
1 1 1   58    4    2 o  219.225   13.797 19680.46  2443.43 20442.41  3284.11 18735.68  3656.94  222.729   18.322  212.556   21.484 10.17279 28.23548 
1 1 1   58    4    3 o  404.035   21.083 67198.93  6892.62 67371.35  9542.76 67010.88  9966.30  401.955   29.444  400.340   30.899 1.614594 42.68082 
1 1 1   58    4    4 o  632.610   22.253 164577.59 11430.18 170229.59 16068.88 158788.80 16262.28  639.573   30.943  616.085   32.625 23.48889 44.96494 
1 1 1   58    4    5 o  742.738   26.299 228184.00 15860.21 240515.70 22365.34 215709.20 22494.68  756.148   36.428  713.370   38.983 42.77808 53.35386 
1 1 1   58    4    6 o  242.229   10.953 23902.99  2154.22 24835.63  3003.12 22914.41  3091.87  246.075   15.103  236.139   16.224 9.935730 22.16592 
1 1 1   58    4    7 o  181.193   11.601 13438.81  1697.85 12884.99  1966.17 15062.71  3366.80  177.102   13.781  189.925   22.254 -12.82274 26.17574 
1 1 1   58    4    8 o  212.369   9.7059 18371.03  1673.65 17077.11  2336.93 19733.52  2398.05  203.883   14.205  219.351   13.530 -15.46754 19.61773 
1 1 1   58    4    9 o  217.939   10.209 19369.12  1806.60 18375.55  2545.16 20378.07  2564.78  211.230   14.936  222.630   14.263 -11.39972 20.65240 
1 1 1   58    4   10 o  338.241   13.562 46910.50  3724.54 46746.59  5294.89 47071.03  5240.13  335.344   19.530  336.621   19.252 -1.277191 27.42387 
1 1 1   58    4   11 o  220.119   10.553 19818.20  1886.05 18738.50  2699.00 20848.59  2636.65  212.518   15.753  224.573   14.538 -12.05432 21.43614 
1 1 1   58    4   12 o  296.526   12.976 36176.61  3124.16 34295.55  4450.58 38003.96  4386.57  285.842   19.289  301.590   17.995 -15.74756 26.37939 
1 1 1   58    4   13 o  287.192   12.611 33978.95  2940.84 33415.50  4184.95 34528.64  4133.48  281.969   18.379  286.930   17.830 -4.961029 25.60696 
1 1 1   58    4   14 o  165.564   10.333 11298.44  1382.19 11428.94  1983.33 11175.21  1927.28  165.184   14.949  163.415   14.682 1.768936 20.95304 
1 1 1   58    4   15 f   47.750   15.408  932.127  680.063  1323.30  929.081  480.645  998.137   56.330   17.992   45.217   18.042 11.11269 25.47992 
1 1 1   58    4   16 o   65.336   15.424  1862.50  805.151  2366.70  1084.75  1243.93  1201.49   73.168   18.304   57.068   20.439 16.10027 27.43751 
1 1 1   58    4   17 o  116.214   12.113  5683.39  1126.24  4629.21  1530.67  6927.82  1663.06  102.078   19.172  126.627   16.573 -24.54888 25.34172 
1 1 1   58    4   18 o  217.701   11.979 19919.02  2109.26 18367.97  2936.14 21573.04  3032.05  204.860   17.829  222.934   16.875 -18.07423 24.54910 
1 1 1   58    4   19 o   43.787   16.340  690.683  779.964  1793.01  1021.00 -854.1097  1208.67   62.575   18.675   36.381   16.918 26.19411 25.19845 
1 1 1   58    6    0 o  444.428   34.458 83117.08 12337.30   0.0000   0.0000 83117.08 12337.30  ?   ?   444.428   34.458 0.000000 34.45792 
1 1 1   58    6    1 o  250.447   23.012 26022.29  4627.25   0.0000   0.0000 26022.29  4627.25  ?   ?   250.447   23.012 0.000000 23.01203 
1 1 1   58    6    2 o  427.780   32.921 76803.98 11347.23   0.0000   0.0000 76803.98 11347.23  ?   ?   427.780   32.921 0.000000 32.92147 
1 1 1   58    6    3 o  462.976   24.911 88697.47  9330.06 98451.55 12932.31 78109.57 13473.73  484.426   33.076  428.422   39.166 56.00424 51.26403 
1 1 1   58    6    4 f  191.664   10.498 15003.19  1627.52 13347.45  1980.16 18450.63  2857.27  180.357   13.622  211.724   16.757 -31.36723 21.59562 
1 1 1   58    6    5 o  185.842   9.6322 14095.97  1448.48 13402.45  1967.77 14916.19  2139.97  180.727   13.507  190.654   13.920 -9.926636 19.39602 
1 1 1   58    6    6 o  238.298   14.843 23295.02  2857.69 26557.68  3379.65 15110.98  5352.66  254.210   16.462  186.259   36.698 67.95091 40.22106 
1 1 1   58    6    7 o  239.005   10.100 23269.42  1960.02 22249.24  2738.37 24341.13  2806.67  232.840   14.557  243.633   14.250 -10.79262 20.37096 
1 1 1   58    6    8 o   88.809   9.4377  3248.83  670.128  2833.72  887.061  3800.67  1022.77   82.156   13.786   95.487   13.574 -13.33080 19.34686 
1 1 1   58    6    9 o  227.785   11.247 21190.02  2080.17 21270.03  2932.83 21109.02  2950.86  226.984   16.016  226.080   16.182 0.9036102 22.76752 
1 1 1   58    6   10 f   87.239   9.9151  3147.03  689.857  3644.06  915.448  2493.87  1049.43   93.532   12.357   76.229   17.345 17.30288 21.29650 
1 1 1   58    6   11 o  342.699   13.716 48323.84  3816.56 44110.78  5431.31 52433.40  5364.19  324.049   20.751  354.496   18.702 -30.44614 27.93539 
1 1 1   58    6   12 o  189.336   12.879 14821.34  1968.16 14507.00  4252.51 14907.03  2220.26  180.423   30.087  189.419   14.547 -8.995758 33.41959 
1 1 1   58    6   13 f  174.152   10.577 12490.94  1488.64 13181.42  2117.61 11816.36  2093.10  177.731   14.809  167.987   15.521 9.744659 21.45206 
1 1 1   58    6   14 o  259.046   11.841 27671.79  2490.63 25872.13  3539.65 29436.56  3505.17  247.551   17.727  264.855   16.379 -17.30435 24.13587 
1 1 1   58    6   15 o  119.797   10.673  5957.79  1027.31  5084.84  1422.07  6910.61  1485.70  108.859   16.615  127.951   14.560 -19.09206 22.09189 
1 1 1   58    6   16 o   74.889   12.562  2391.11  736.840  1089.89  1018.86  3817.92  1066.90   53.226   18.848   94.510   14.354 -41.28447 23.69127 
1 1 1   58    6   17 o  180.696   11.438 13633.65  1669.50 13356.74  2309.57 13936.70  2416.10  176.361   16.313  179.926   16.730 -3.565430 23.36664 
1 1 1   58    6   18 o   53.283   16.178  1241.54  761.393  920.850  919.519  1940.99  1357.98   49.129   17.843   65.893   21.805 -16.76382 28.17466 
1 1 1   58    6   19 o   80.049   14.577  2840.92  912.534  2560.91  1183.70  3251.13  1432.70   73.872   19.462   82.421   21.266 -8.549171 28.82765 
1 1 1   58    8    0 o  292.125   26.019 35558.99  6106.92   0.0000   0.0000 35558.99  6106.92  ?   ?   292.125   26.019 0.000000 26.01866 
1 1 1   58    8    1 o  344.559   28.347 49576.60  7860.33   0.0000   0.0000 49576.60  7860.33  ?   ?   344.559   28.347 0.000000 28.34711 
1 1 1   58    8    4 o  190.568   10.668 14838.45  1644.10 14542.48  1972.13 15512.90  2977.02  188.362   12.974  193.521   19.199 -5.159180 23.17171 
1 1 1   58    8    5 o  489.976   18.945 98527.56  7537.34 106907.20 10531.97 89729.70 10791.60  507.513   25.641  463.499   28.817 44.01312 38.57326 
1 1 1   58    8    6 o  152.699   8.2771  9515.20  1022.42  6923.18  1346.33 13046.72  1571.50  129.596   12.969  178.592   10.889 -48.99693 16.93387 
1 1 1   58    8    7 o   68.683   9.2335  1955.38  501.890  2501.20  620.866  926.120  852.579   77.705   10.078   49.961   17.273 27.74394 19.99771 
1 1 1   58    8    8 o  296.081   12.181 35817.33  2928.31 37013.98  4117.96 34593.20  4164.96  299.625   16.996  289.411   17.810 10.21371 24.61882 
1 1 1   58    8    9 o  186.749   10.559 14287.54  1594.59 14498.77  1979.23 13896.82  2691.87  187.682   13.069  182.493   18.418 5.188934 22.58419 
1 1 1   58    8   10 o  389.619   14.672 62499.03  4641.69 58771.32  6594.98 66158.27  6534.13  374.115   21.805  397.870   20.293 -23.75507 29.78728 
1 1 1   58    8   11 o   24.276   10.354  -5.9121  359.809   56.812  414.629 -197.1835  724.047   27.060   11.304   32.242   14.208 -5.182394 18.15587 
1 1 1   58    8   12 o   68.387   11.513  1972.00  616.586  1857.52  818.346  2122.32  937.772   65.649   15.585   70.067   16.717 -4.417892 22.85492 
1 1 1   58    8   13 o  104.402   9.6782  4504.97  811.100  3051.40  1076.31  6415.37  1233.91   84.205   16.331  124.134   12.408 -39.92899 20.51046 
1 1 1   58    8   14 o  313.278   13.329 40687.26  3390.59 38266.46  4838.96 43022.08  4752.25  299.377   20.022  318.672   18.445 -19.29529 27.22309 
1 1 1   58    8   15 o   64.186   13.802  1779.08  697.947  1552.46  903.182  2115.02  1099.66   59.910   17.483   69.311   18.982 -9.401093 25.80594 
1 1 1   58    8   16 o  209.158   11.624 18209.85  1966.37 18737.78  2745.84 17654.09  2817.27  209.751   16.249  202.960   17.259 6.791504 23.70486 
1 1 1   58    8   17 o   78.188   13.847  2645.94  846.901  2327.39  1072.57  3173.40  1380.17   71.963   18.311   83.381   20.524 -11.41849 27.50508 
1 1 1   58    8   18 o  112.136   12.035  5348.29  1078.67  4794.70  1402.99  6148.60  1686.90  103.691   17.271  117.058   18.351 -13.36712 25.20059 
1 1 1   58    8   19 f   35.793   15.220  114.224  773.266  459.708  910.372 -780.6884  1465.19   42.230   17.096   40.826   18.860 1.404305 25.45502 
1 1 1   58   10    0 o  292.397   26.337 35701.62  6185.83   0.0000   0.0000 35701.62  6185.83  ?   ?   292.397   26.337 0.000000 26.33739 
1 1 1   58   10    1 o  454.492   35.563 87497.46 13019.42   0.0000   0.0000 87497.46 13019.42  ?   ?   454.492   35.563 0.000000 35.56344 
1 1 1   58   10    2 o  236.865   22.878 23339.99  4345.35   0.0000   0.0000 23339.99  4345.35  ?   ?   236.865   22.878 0.000000 22.87835 
1 1 1   58   10    3 o  109.978   21.084  5138.49  1814.29   0.0000   0.0000  5138.49  1814.29  ?   ?   109.978   21.084 0.000000 21.08436 
1 1 1   58   10    4 o  146.370   16.154  8873.31  1887.89  8484.46  3242.49  9072.73  2322.07  140.184   29.424  147.285   19.929 -7.101166 35.53792 
1 1 1   58   10    5 o  124.360   16.449  6442.58  1620.16  7718.38  2898.23  5862.67  1953.98  133.872   27.581  117.553   21.254 16.31889 34.81966 
1 1 1   58   10    6 o  422.167   14.080 72881.60  4826.29 71289.73  6706.23 74591.89  6951.18  416.052   19.851  425.496   20.120 -9.444366 28.26460 
1 1 1   58   10    7 o  234.369   10.170 22397.07  1935.34 21292.57  2644.50 23670.81  2839.90  227.583   14.385  239.949   14.646 -12.36647 20.52900 
1 1 1   58   10    8 o  199.444   11.333 16305.95  1827.65 18894.70  2509.00 13379.47  2667.65  214.112   14.518  179.052   18.621 35.06006 23.61180 
1 1 1   58   10    9 o  338.869   12.700 47086.38  3494.47 43720.69  4925.46 50497.45  4958.57  324.121   18.796  348.943   17.557 -24.82245 25.72063 
1 1 1   58   10   10 o  115.752   8.6489  5499.69  807.007  4191.42  1027.56  7605.39  1303.65  100.191   12.933  135.643   11.959 -35.45248 17.61470 
1 1 1   58   10   11 o   39.160   11.297  643.000  379.054  541.034  425.446  1035.55  834.761   37.077   12.202   51.200   17.102 -14.12303 21.00860 
1 1 1   58   10   12 o  100.138   9.1183  4137.15  733.280  3791.43  926.264  4717.60  1200.19   95.190   12.270  105.838   14.335 -10.64730 18.86882 
1 1 1   58   10   13 o  162.887   13.519 11061.92  1771.88  9447.61  4508.15 11356.87  1926.96  138.822   38.597  164.718   14.558 -25.89610 41.25154 
1 1 1   58   10   14 o   21.639   10.123 -433.5007  443.368 -470.8608  516.114 -328.2823  866.139   23.632   11.011   34.140   15.261 -10.50790 18.81908 
1 1 1   58   10   15 o  158.956   10.018 10452.38  1286.38  9196.47  1726.25 12020.70  1929.04  147.503   14.605  168.985   14.190 -21.48203 20.36373 
1 1 1   58   10   16 o  242.375   12.297 24557.43  2412.04 22080.13  3389.20 27099.94  3433.52  225.600   18.670  251.476   16.914 -25.87636 25.19199 
1 1 1   58   10   17 o  117.813   10.993  5832.42  1039.48  5492.36  1320.06  6387.43  1686.44  112.790   14.769  120.237   17.813 -7.447174 23.13918 
1 1 1   58   10   18 o  106.118   11.666  4797.67  988.565  4779.57  1226.56  4831.21  1669.98  104.429   14.887  101.580   20.943 2.849777 25.69496 
1 1 1   58   10   19 o  172.048   11.745 12670.84  1630.90 11579.32  2155.77 14131.61  2493.89  160.210   16.823  176.224   17.667 -16.01489 24.39552 
1 1 1   58   12    0 o  588.183   45.622 150844.20 21617.94   0.0000   0.0000 150844.20 21617.94  ?   ?   588.183   45.622 0.000000 45.62201 
1 1 1   58   12    1 o  612.811   47.325 164449.00 23365.66   0.0000   0.0000 164449.00 23365.66  ?   ?   612.811   47.325 0.000000 47.32505 
1 1 1   58   12    2 o  250.008   24.088 26087.33  4829.40   0.0000   0.0000 26087.33  4829.40  ?   ?   250.008   24.088 0.000000 24.08842 
1 1 1   58   12    3 o   39.787   17.666 -405.6522  1140.29   0.0000   0.0000 -405.6522  1140.29  ?   ?    39.787   17.666 0.000000 17.66558 
1 1 1   58   12    4 o  223.236   17.439 20571.58  3135.98 24141.44  5181.51 18508.10  3939.41  239.316   27.146  210.229   23.479 29.08630 35.89082 
1 1 1   58   12    5 o   79.905   20.587  2733.16  1343.97  5417.75  2616.83  1771.34  1566.33  111.668   28.703   68.203   23.421 43.46482 37.04651 
1 1 1   58   12    6 o   70.046   20.518  2065.82  1241.90  220.238  2555.51  2636.45  1420.98   65.523   27.756   78.558   21.604 -13.03519 35.17273 
1 1 1   58   12    7 f  148.567   12.990  9105.69  1551.26  8289.57  3664.08  9283.92  1712.29  136.471   33.349  149.785   14.251 -13.31384 36.26653 
1 1 1   58   12    8 o   87.344   13.873  3208.38  950.998  1598.10  3134.25  3371.66  998.050   79.843   31.932   89.517   14.206 -9.674561 34.94897 
1 1 1   58   12    9 o  179.740   10.417 13262.73  1513.80 14935.53  2052.33 11266.67  2241.87  190.116   13.380  164.025   17.084 26.09145 21.70000 
1 1 1   58   12   10 o  292.866   13.561 35356.88  3224.78 33686.16  3980.57 38547.31  5500.71  284.011   17.344  300.989   22.674 -16.97784 28.54723 
1 1 1   58   12   11 o  111.464   9.1647  5117.68  822.106  6085.36  1042.11  3523.02  1337.77  121.320   10.688   90.074   18.894 31.24626 21.70788 
1 1 1   58   12   12 o  266.484   12.128 29287.36  2624.24 29852.99  3702.49 28716.35  3720.04  266.451   17.205  261.073   17.652 5.377960 24.65026 
1 1 1   58   12   13 f  153.207   13.932  9830.20  1714.15  8665.51  4677.74 10010.86  1842.30  131.390   40.145  154.289   14.891 -22.89854 42.81736 
1 1 1   58   12   14 o  183.444   10.804 13933.53  1602.09 15044.79  2188.67 12650.82  2351.46  189.266   14.349  172.283   17.033 16.98274 22.27094 
1 1 1   58   12   15 o  206.656   10.532 17701.59  1761.47 17069.75  2406.22 18431.16  2585.63  200.902   14.856  208.501   15.381 -7.599411 21.38434 
1 1 1   58   12   16 o   50.583   12.649  1112.95  518.167  1270.30  595.976  625.591  1048.85   53.919   13.611   47.121   18.591 6.797222 23.04092 
1 1 1   58   12   17 o   26.203   11.477 -84.5879  466.178 -341.0753  506.223  1346.86  1195.90   24.407   11.206   57.187   20.401 -32.78002 23.27633 
1 1 1   58   12   18 o   34.097   13.134  356.404  513.355  230.176  559.178  1033.26  1294.85   32.947   13.377   53.443   20.782 -20.49555 24.71500 
1 1 1   58   14    3 o  142.378   22.595  8590.55  2524.85   0.0000   0.0000  8590.55  2524.85  ?   ?   142.378   22.595 0.000000 22.59483 
1 1 1   58   14    4 o  153.920   22.185 10008.88  2692.60   0.0000   0.0000 10008.88  2692.60  ?   ?   153.920   22.185 0.000000 22.18537 
1 1 1   58   14    5 o  708.153   57.655 236762.00 32863.45   0.0000   0.0000 236762.00 32863.45  ?   ?   708.153   57.655 0.000000 57.65467 
1 1 1   58   14    6 o  330.379   20.702 45527.03  5525.29 50184.54  8574.14 42219.34  7225.64  341.270   31.291  314.316   28.626 26.95444 42.40942 
1 1 1   58   14    7 o  336.355   17.354 46939.50  4723.32 50686.11  9160.42 45582.65  5512.65  339.860   33.637  329.963   20.680 9.896881 39.48570 
1 1 1   58   14    8 o  593.888   26.116 150486.70 12593.76 169865.41 22855.69 142037.80 15091.43  597.462   47.506  568.311   32.844 29.15088 57.75428 
1 1 1   58   14    9 o  383.256   18.629 61386.99  5797.22 62188.48 11261.61 61098.02  6762.00  367.979   38.250  379.643   22.031 -11.66394 44.14096 
1 1 1   58   14   10 o  212.291   17.900 18973.62  3056.64 19622.51  5580.97 18695.58  3653.29  206.613   34.482  208.923   21.859 -2.310471 40.82720 
1 1 1   58   14   11 o  119.538   13.511  5984.71  1288.35  8373.12  3561.50  5625.11  1381.94  133.632   33.016  115.403   15.111 18.22903 36.30961 
1 1 1   58   14   12 o  126.828   8.3102  6612.13  851.055  5598.20  1044.74  8612.16  1467.32  116.033   11.229  143.729   12.704 -27.69637 16.95543 
1 1 1   58   14   13 o   50.918   17.730  1002.73  899.046 -2724.4839  3829.59  1220.14  924.894   63.315   29.662   54.545   17.992 8.770580 34.69262 
1 1 1   58   14   14 o  113.467   8.9491  5325.09  817.808  5437.45  1004.76  5104.56  1407.69  114.145   10.976  108.753   16.456 5.391632 19.78058 
1 1 1   58   14   15 o   88.333   9.1710  3250.74  648.190  3353.97  756.656  2966.10  1256.44   89.356   10.638   81.170   19.339 8.186050 22.07185 
1 1 1   58   14   16 o   52.395   11.380  1189.36  470.304  1078.92  507.259  1865.53  1255.16   49.714   12.561   64.704   20.939 -14.98943 24.41762 
1 1 1   58   14   17 o  129.234   10.015  7014.29  1042.68  6757.30  1256.82  7581.67  1867.47  125.688   12.480  129.686   18.239 -3.997681 22.09996 
1 1 1   58   14   18 o  166.650   10.525 11772.36  1416.83 10590.02  1778.74 13824.63  2343.46  155.322   14.263  175.288   16.666 -19.96579 21.93598 
1 1 1   58   16    0 o  231.041   26.732 22637.57  4922.26   0.0000   0.0000 22637.57  4922.26  ?   ?   231.041   26.732 0.000000 26.73209 
1 1 1   58   16    1 o   65.454   25.657  1109.49  1985.91   0.0000   0.0000  1109.49  1985.91  ?   ?    65.454   25.657 0.000000 25.65744 
1 1 1   58   16    4 o  298.100   34.495 38876.19  8195.20 38876.19  8195.20   0.0000   0.0000  298.100   34.495  ?   ?  0.000000 34.49513 
1 1 1   58   16    6 o  213.610   23.683 19466.78  4038.56   0.0000   0.0000 19466.78  4038.56  ?   ?   213.610   23.683 0.000000 23.68310 
1 1 1   58   16    7 o  246.159   17.040 25282.80  3384.80   0.0000   0.0000 25282.80  3384.80  ?   ?   246.159   17.040 0.000000 17.03955 
1 1 1   58   16    8 o  192.541   13.658 15372.64  2121.35 16494.11  4925.26 15117.21  2350.55  190.550   33.030  190.411   15.333 0.1385498 36.41588 
1 1 1   58   16    9 o   76.010   16.478  2496.01  987.633  2503.39  3547.23  2495.39  1028.29   87.218   34.259   75.886   17.098 11.33189 38.28902 
1 1 1   58   16   10 o   94.748   21.798  3972.63  1642.11  2399.44  3926.79  4306.05  1807.77   88.357   35.598   98.357   23.040 -9.999733 42.40371 
1 1 1   58   16   11 o   88.493   16.400  3378.10  1135.00   86.114  4069.83  3655.73  1181.89   76.865   33.783   92.145   16.398 -15.28001 37.55275 
1 1 1   58   16   12 o  111.963   14.854  5325.29  1317.07 10057.70  4101.53  4781.20  1390.73  143.051   35.484  105.341   16.826 37.70957 39.27062 
1 1 1   58   16   13 o  103.038   18.021  4640.69  1452.76  5171.96  4987.66  4591.44  1518.60  105.207   40.821  102.090   19.020 3.117355 45.03477 
1 1 1   58   16   14 o   79.966   19.389  2875.25  1245.92 -4084.5120  4390.67  3484.75  1299.33   62.941   30.140   88.418   18.683 -25.47628 35.46074 
1 1 1   58   16   15 o   52.069   19.654  959.720  1134.92  835.670  5366.14  965.529  1161.19   82.718   37.395   52.421   19.858 30.29707 42.34014 
1 1 1   58   16   16 o  130.357   16.721  7509.50  1729.01  7396.61  6101.42  7519.36  1802.91  105.951   43.735  129.934   17.537 -23.98404 47.11950 
1 1 1   58   16   17 o  105.260   9.3473  4663.93  790.581  4231.46  896.305  6179.56  1677.93   99.410   11.305  115.940   18.441 -16.52962 21.63094 
1 1 1   58   18    0 o  155.619   26.700 10503.57  3252.25   0.0000   0.0000 10503.57  3252.25  ?   ?   155.619   26.700 0.000000 26.69993 
1 1 1   58   18    1 o   91.616   27.150  3628.76  2163.69   0.0000   0.0000  3628.76  2163.69  ?   ?    91.616   27.150 0.000000 27.15021 
1 1 1   58   18    2 o   78.178   25.564  2516.22  1868.61   0.0000   0.0000  2516.22  1868.61  ?   ?    78.178   25.564 0.000000 25.56376 
1 1 1   58   18    3 o  258.079   26.529 28607.10  5480.09   0.0000   0.0000 28607.10  5480.09  ?   ?   258.079   26.529 0.000000 26.52918 
1 1 1   58   18    4 o  322.872   29.639 45402.50  7683.48   0.0000   0.0000 45402.50  7683.48  ?   ?   322.872   29.639 0.000000 29.63912 
1 1 1   58   18    5 o  422.112   43.303 83857.52 14631.52 83857.52 14631.52   0.0000   0.0000  422.112   43.303  ?   ?  0.000000 43.30295 
1 1 1   58   18    6 o  415.169   43.500 82166.99 14446.09 82166.99 14446.09   0.0000   0.0000  415.169   43.500  ?   ?  0.000000 43.49957 
1 1 1   58   18    7 o   42.366   15.849  571.270  734.649   0.0000   0.0000  571.270  734.649  ?   ?    42.366   15.849 0.000000 15.84906 
1 1 1   58   18    8 o  136.216   14.227  7770.23  1550.30   0.0000   0.0000  7770.23  1550.30  ?   ?   136.216   14.227 0.000000 14.22672 
1 1 1   58   18    9 f  287.605   17.888 34933.07  4156.69   0.0000   0.0000 34933.07  4156.69  ?   ?   287.605   17.888 0.000000 17.88831 
1 1 1   58   18   10 o  100.231   23.172  4509.04  1848.16  3916.60  4608.13  4622.60  2017.53   99.410   39.048  100.984   24.789 -1.573158 46.25175 
1 1 1   58   18   11 f  108.959   15.653  5075.85  1345.07  7426.09  4327.05  4824.46  1415.18  121.184   38.842  105.688   17.073 15.49561 42.42867 
1 1 1   58   18   12 o  107.888   16.965  5043.12  1437.10  2965.61  5320.86  5206.60  1492.57   94.976   40.131  109.498   17.367 -14.52286 43.72821 
1 1 1   58   18   13 f  148.902   15.619  9490.54  1860.23 11498.51  6433.33  9307.33  1943.24  137.053   47.444  146.975   16.573 -9.921555 50.25496 
1 1 1   58   18   14 o   74.204   21.071  2525.04  1328.90 -6761.5508  6017.57  3001.16  1362.54   67.616   33.053   80.834   20.676 -13.21804 38.98700 
1 1 1   58   18   15 o   31.671   14.685 -663.5117  900.420 -2497.6819  4951.42 -600.7817  915.689   68.349   32.529   32.464   14.966 35.88503 35.80676 
1 1 1   58   18   16 o   50.173   20.228  756.624  1268.86  278.833  7039.77  772.667  1289.99   80.577   38.469   50.569   20.393 30.00806 43.54041 
1 1 1   58   18   17 o   29.188   14.347 -2124.1851  1182.74   0.0000   0.0000 -2124.1851  1182.74  ?   ?    29.188   14.347 0.000000 14.34665 
1 1 1   58   20    0 o  179.985   28.095 14283.52  3971.70   0.0000   0.0000 14283.52  3971.70  ?   ?   179.985   28.095 0.000000 28.09480 
1 1 1   58   20    1 o  339.701   32.506 51392.62  8856.44   0.0000   0.0000 51392.62  8856.44  ?   ?   339.701   32.506 0.000000 32.50571 
1 1 1   58   20    2 o  279.606   28.868 34332.42  6459.58   0.0000   0.0000 34332.42  6459.58  ?   ?   279.606   28.868 0.000000 28.86786 
1 1 1   58   20    3 o  140.967   24.509  8713.93  2703.51   0.0000   0.0000  8713.93  2703.51  ?   ?   140.967   24.509 0.000000 24.50933 
1 1 1   58   20    4 o  187.985   25.137 15430.17  3740.78   0.0000   0.0000 15430.17  3740.78  ?   ?   187.985   25.137 0.000000 25.13709 
1 1 1   58   20    5 o  193.690   20.786 16051.22  3217.93 17711.91  6110.66 15413.97  3785.31  191.051   40.641  187.398   25.542 3.653915 48.00084 
1 1 1   58   20    6 o  135.538   21.758  8000.67  2313.47  7607.81  5069.61  8103.99  2599.98  125.114   42.144  135.232   24.584 -10.11795 48.79053 
1 1 1   58   20    7 o  111.322   17.937  5333.06  1566.21 16425.69  5069.28  4162.46  1646.77  186.660   34.725   96.989   21.478 89.67129 40.83023 
1 1 1   58   20    8 o  147.541   17.110  9266.51  2011.67 17308.81  5537.91  8043.98  2159.16  188.648   37.475  136.130   20.142 52.51778 42.54492 
1 1 1   58   20    9 o   41.495   16.183  467.629  786.978   0.0000   0.0000  467.629  786.978  ?   ?    41.495   16.183 0.000000 16.18314 
1 1 1   58   20   10 o   63.578   24.263  1391.01  1741.52   0.0000   0.0000  1391.01  1741.52  ?   ?    63.578   24.263 0.000000 24.26254 
1 1 1   58   20   11 o  132.391   15.296  7478.16  1614.05   0.0000   0.0000  7478.16  1614.05  ?   ?   132.391   15.296 0.000000 15.29644 
1 1 1   58   20   12 f  158.637   15.368 10758.17  1954.65 12824.88  6252.02 10534.27  2057.81  144.954   46.713  156.400   16.451 -11.44537 49.52537 
1 1 1   58   20   13 o   35.466   16.406 -779.4415  1114.31 -2354.0859  4918.09 -694.2311  1144.07   70.204   33.115   36.612   16.823 33.59116 37.14356 
1 1 1   58   20   14 o  122.610   18.962  6788.81  1826.82  1415.80  7683.85  7110.70  1880.74   89.203   41.862  125.466   19.061 -36.26308 45.99769 
1 1 1   58   20   15 o   40.415   17.792 -83.7359  1132.90   0.0000   0.0000 -83.7359  1132.90  ?   ?    40.415   17.792 0.000000 17.79215 
1 1 1   58   20   16 o   65.039   22.721  2048.79  1477.12   0.0000   0.0000  2048.79  1477.12  ?   ?    65.039   22.721 0.000000 22.72118 
1 1 1   58   22    0 o  284.074   32.333 36843.11  7325.08   0.0000   0.0000 36843.11  7325.08  ?   ?   284.074   32.333 0.000000 32.33334 
1 1 1   58   22    1 o  244.729   30.081 27011.38  5851.53   0.0000   0.0000 27011.38  5851.53  ?   ?   244.729   30.081 0.000000 30.08053 
1 1 1   58   22    2 o  133.859   28.942  8198.63  3054.06   0.0000   0.0000  8198.63  3054.06  ?   ?   133.859   28.942 0.000000 28.94199 
1 1 1   58   22    3 o   39.006   17.789 -725.3912  1247.71   0.0000   0.0000 -725.3912  1247.71  ?   ?    39.006   17.789 0.000000 17.78918 
1 1 1   58   22    4 o  253.568   28.050 28768.39  5678.49   0.0000   0.0000 28768.39  5678.49  ?   ?   253.568   28.050 0.000000 28.05010 
1 1 1   58   22    5 o  170.221   22.182 12643.46  2993.02 15374.19  6447.80 11893.45  3379.14  170.555   45.655  162.701   26.490 7.854019 52.78360 
1 1 1   58   22    6 o  163.165   22.286 11672.15  2875.29 14321.84  6385.15 10998.19  3220.27  162.979   46.156  156.107   26.343 6.871384 53.14469 
1 1 1   58   22    7 o  233.720   13.791 22832.54  2605.58 35111.84  7781.98 21282.14  2765.19  269.162   36.553  224.910   15.232 44.25142 39.59932 
1 1 1   58   22    8 o  101.763   14.359  4409.59  1153.50  7744.60  6034.17  4283.10  1175.17  121.301   45.414  100.087   14.916 21.21381 47.80071 
1 1 1   58   22    9 o  142.124   17.782  8731.70  2007.18 14125.31  6919.83  8236.22  2097.34  153.610   49.107  137.225   19.361 16.38417 52.78629 
1 1 1   58   22   10 o   68.576   31.997 -2144.2419  4382.30 -2144.2419  4382.30   0.0000   0.0000   68.576   31.997  ?   ?  0.000000 31.99745 
1 1 1   58   22   11 o  135.788   15.375  7926.73  1665.30   0.0000   0.0000  7926.73  1665.30  ?   ?   135.788   15.375 0.000000 15.37496 
1 1 1   58   22   12 o  122.492   16.950  6593.29  1640.65   0.0000   0.0000  6593.29  1640.65  ?   ?   122.492   16.950 0.000000 16.94986 
1 1 1   58   22   13 o  113.387   18.080  5787.60  1608.61 13181.26  8195.21  5491.32  1640.53  123.573   50.810  109.791   19.096 13.78265 54.28029 
1 1 1   58   22   14 o  183.388   17.632 15147.32  2593.18   0.0000   0.0000 15147.32  2593.18  ?   ?   183.388   17.632 0.000000 17.63234 
1 1 1   58   22   15 f  107.976   22.981  5858.16  1952.98   0.0000   0.0000  5858.16  1952.98  ?   ?   107.976   22.981 0.000000 22.98112 
1 1 1   58   24    0 o  165.422   33.731 13150.75  4377.02   0.0000   0.0000 13150.75  4377.02  ?   ?   165.422   33.731 0.000000 33.73071 
1 1 1   58   24    1 o  102.703   32.314  4985.93  3005.72   0.0000   0.0000  4985.93  3005.72  ?   ?   102.703   32.314 0.000000 32.31358 
1 1 1   58   24    2 o  196.959   30.366 18004.81  4700.23   0.0000   0.0000 18004.81  4700.23  ?   ?   196.959   30.366 0.000000 30.36642 
1 1 1   58   24    3 o  154.874   29.952 11216.97  3630.34   0.0000   0.0000 11216.97  3630.34  ?   ?   154.874   29.952 0.000000 29.95223 
1 1 1   58   24    4 o  177.857   27.776 14496.32  3880.08   0.0000   0.0000 14496.32  3880.08  ?   ?   177.857   27.776 0.000000 27.77576 
1 1 1   58   24    5 o  183.964   30.836 15946.57  4443.01   0.0000   0.0000 15946.57  4443.01  ?   ?   183.964   30.836 0.000000 30.83573 
1 1 1   58   24    6 o   59.801   15.525  1562.44  760.447 -625.6555  6078.21  1597.24  766.470   85.583   39.121   60.449   15.532 25.13367 42.09210 
1 1 1   58   24    7 o   58.757   16.174  1510.26  796.043  5083.94  6331.37  1452.86  802.411  106.490   44.302   57.716   16.368 48.77486 47.22903 
1 1 1   58   24    8 o  126.090   14.529  6779.73  1460.32 13470.53  7572.77  6521.32  1488.25  143.405   51.319  123.371   15.177 20.03426 53.51608 
1 1 1   58   24    9 o   81.792   17.357  2973.30  1117.06 12426.84  7464.75  2756.75  1129.79  135.535   50.557   78.458   18.103 57.07642 53.69994 
1 1 1   58   24   10 o  232.986   20.658 24263.26  3867.44 -1830.7889 11032.61 27919.00  4129.47   95.365   46.190  250.172   20.509 -154.8067 50.53909 
1 1 1   58   24   11 o  126.568   21.603  7404.09  2140.48 22550.33 10233.17  6711.09  2188.90  152.568   58.673  119.098   23.470 33.46930 63.19280 
1 1 1   58   24   12 o  108.076   24.425  5732.51  2092.93   0.0000   0.0000  5732.51  2092.93  ?   ?   108.076   24.425 0.000000 24.42470 
1 1 1   58   24   13 o   90.264   21.195  3946.39  1526.84   0.0000   0.0000  3946.39  1526.84  ?   ?    90.264   21.195 0.000000 21.19451 
1 1 1   58   24   14 o   49.916   20.681  725.002  1371.68   0.0000   0.0000  725.002  1371.68  ?   ?    49.916   20.681 0.000000 20.68108 
1 1 1   58   26    0 o  257.677   17.215 28439.77  3581.15   0.0000   0.0000 28439.77  3581.15  ?   ?   257.677   17.215 0.000000 17.21530 
1 1 1   58   26    1 o  123.744   12.596  6445.54  1247.92   0.0000   0.0000  6445.54  1247.92  ?   ?   123.744   12.596 0.000000 12.59570 
1 1 1   58   26    2 o  173.413   35.029 15055.15  4762.40   0.0000   0.0000 15055.15  4762.40  ?   ?   173.413   35.029 0.000000 35.02855 
1 1 1   58   26    3 o   61.391   28.044 -1099.3210  3116.99   0.0000   0.0000 -1099.3210  3116.99  ?   ?    61.391   28.044 0.000000 28.04443 
1 1 1   58   26    4 o   78.106   15.725  2668.87  962.730   0.0000   0.0000  2668.87  962.730  ?   ?    78.106   15.725 0.000000 15.72451 
1 1 1   58   26    5 o   67.577   14.973  2001.21  799.981   0.0000   0.0000  2001.21  799.981  ?   ?    67.577   14.973 0.000000 14.97339 
1 1 1   58   26    6 o   64.292   15.686  1825.67  811.581 12151.59  6359.80  1654.73  818.270  139.066   47.202   61.176   16.212 77.88954 49.90827 
1 1 1   58   26    7 o  122.575   14.865  6462.73  1449.16 17329.17  7324.66  6020.05  1478.39  160.717   50.423  117.800   15.859 42.91763 52.85867 
1 1 1   58   26    8 o  151.419   14.968  9865.99  1816.16 17512.96  9294.67  9562.44  1851.85  144.159   55.784  148.716   15.567 -4.556625 57.91540 
1 1 1   58   26    9 o   73.541   27.538  2391.20  2219.01 -13243.0498  9060.19  3388.86  2288.71   72.123   36.142   83.078   28.315 -10.95499 45.91307 
1 1 1   58   26   10 o   47.733   19.029  672.616  1109.45   0.0000   0.0000  672.616  1109.45  ?   ?    47.733   19.029 0.000000 19.02868 
1 1 1   58   26   11 o   86.557   21.495  3624.94  1503.80   0.0000   0.0000  3624.94  1503.80  ?   ?    86.557   21.495 0.000000 21.49491 
1 1 1   58   26   12 o   59.364   21.691  1586.86  1361.91   0.0000   0.0000  1586.86  1361.91  ?   ?    59.364   21.691 0.000000 21.69120 
1 1 1   58   28    0 o  248.296   14.545 26260.29  2919.68   0.0000   0.0000 26260.29  2919.68  ?   ?   248.296   14.545 0.000000 14.54545 
1 1 1   58   28    1 o  101.591   10.158  4323.23  826.651   0.0000   0.0000  4323.23  826.651  ?   ?   101.591   10.158 0.000000 10.15754 
1 1 1   58   28    2 o  293.374   14.389 36520.48  3427.66   0.0000   0.0000 36520.48  3427.66  ?   ?   293.374   14.389 0.000000 14.38921 
1 1 1   58   28    3 o  132.086   12.143  7369.76  1287.72   0.0000   0.0000  7369.76  1287.72  ?   ?   132.086   12.143 0.000000 12.14276 
1 1 1   58   28    4 o   20.577   9.7640 -522.2747  439.708   0.0000   0.0000 -522.2747  439.708  ?   ?    20.577   9.7640 0.000000 9.764050 
1 1 1   58   28    5 o   87.149   14.789  3319.66  1009.09   0.0000   0.0000  3319.66  1009.09  ?   ?    87.149   14.789 0.000000 14.78895 
1 1 1   58   28    6 o   26.660   12.314 -456.9731  624.237   0.0000   0.0000 -456.9731  624.237  ?   ?    26.660   12.314 0.000000 12.31366 
1 1 1   58   28    7 o   73.231   17.875  2452.65  1053.58  7133.55 10108.20  2401.24  1059.35  103.452   48.378   72.385   18.078 31.06681 51.64561 
1 1 1   58   28    8 o   85.765   31.278  3894.02  2829.86   0.0000   0.0000  3894.02  2829.86  ?   ?    85.765   31.278 0.000000 31.27809 
1 1 1   58   28    9 o   57.789   20.215  1480.22  1169.38   0.0000   0.0000  1480.22  1169.38  ?   ?    57.789   20.215 0.000000 20.21466 
1 1 1   58   28   10 o   84.055   21.044  3468.34  1432.96   0.0000   0.0000  3468.34  1432.96  ?   ?    84.055   21.044 0.000000 21.04384 
1 1 1   58   28   11 o   91.004   22.534  4244.08  1656.27   0.0000   0.0000  4244.08  1656.27  ?   ?    91.004   22.534 0.000000 22.53370 
1 1 1   58   30    0 o  118.399   19.705  6428.75  1827.74   0.0000   0.0000  6428.75  1827.74  ?   ?   118.399   19.705 0.000000 19.70453 
1 1 1   58   30    1 o   77.684   9.5532  2547.69  589.886   0.0000   0.0000  2547.69  589.886  ?   ?    77.684   9.5532 0.000000 9.553237 
1 1 1   58   30    2 o   52.084   11.423  1183.50  469.803   0.0000   0.0000  1183.50  469.803  ?   ?    52.084   11.423 0.000000 11.42325 
1 1 1   58   30    3 o   42.163   13.440  753.492  518.607   0.0000   0.0000  753.492  518.607  ?   ?    42.163   13.440 0.000000 13.43996 
1 1 1   58   30    4 o  140.240   12.736  8435.53  1434.39   0.0000   0.0000  8435.53  1434.39  ?   ?   140.240   12.736 0.000000 12.73556 
1 1 1   58   30    5 o  127.247   13.881  7045.20  1410.95   0.0000   0.0000  7045.20  1410.95  ?   ?   127.247   13.881 0.000000 13.88118 
1 1 1   58   30    6 o   30.240   13.670 -297.4203  717.003   0.0000   0.0000 -297.4203  717.003  ?   ?    30.240   13.670 0.000000 13.67017 
1 1 1   58   30    7 o   48.517   22.048 -358.7314  1895.02   0.0000   0.0000 -358.7314  1895.02  ?   ?    48.517   22.048 0.000000 22.04817 
1 1 1   58   30    8 o   88.303   20.219  3805.40  1418.46   0.0000   0.0000  3805.40  1418.46  ?   ?    88.303   20.219 0.000000 20.21915 
1 1 1   58   30    9 f  131.760   43.624 15083.63  5435.19   0.0000   0.0000 15083.63  5435.19  ?   ?   131.760   43.624 0.000000 43.62355 
1 1 1   58   32    0 o   46.674   19.656  461.947  1269.57   0.0000   0.0000  461.947  1269.57  ?   ?    46.674   19.656 0.000000 19.65594 
1 1 1   58   32    1 o   63.257   23.717  1841.52  1646.92   0.0000   0.0000  1841.52  1646.92  ?   ?    63.257   23.717 0.000000 23.71715 
1 1 1   58   32    2 o   63.046   11.327  1738.96  558.539   0.0000   0.0000  1738.96  558.539  ?   ?    63.046   11.327 0.000000 11.32716 
1 1 1   58   32    3 o   53.372   13.215  1283.50  569.649   0.0000   0.0000  1283.50  569.649  ?   ?    53.372   13.215 0.000000 13.21482 
1 1 1   58   32    4 o   45.715   21.602 -1321.1260  2109.77   0.0000   0.0000 -1321.1260  2109.77  ?   ?    45.715   21.602 0.000000 21.60220 
1 1 1   58   32    5 o   92.989   32.885  5680.33  3100.82   0.0000   0.0000  5680.33  3100.82  ?   ?    92.989   32.885 0.000000 32.88538 
1 1 1   58   32    6 o   92.915   39.593  8009.82  5253.46   0.0000   0.0000  8009.82  5253.46  ?   ?    92.915   39.593 0.000000 39.59349 
1 1 1   58   32    7 o   64.544   30.043  1109.26  3826.19   0.0000   0.0000  1109.26  3826.19  ?   ?    64.544   30.043 0.000000 30.04318 
1 1 1   58   34    0 o   63.349   25.188  2104.59  1939.20   0.0000   0.0000  2104.59  1939.20  ?   ?    63.349   25.188 0.000000 25.18771 
1 1 1   58   34    1 o   66.469   10.391  1937.18  542.459   0.0000   0.0000  1937.18  542.459  ?   ?    66.469   10.391 0.000000 10.39126 
1 1 1   58   34    2 o   50.092   25.407 -9819.0820  5307.30   0.0000   0.0000 -9819.0820  5307.30  ?   ?    50.092   25.407 0.000000 25.40705 
1 1 1   58   34    3 o   63.389   30.739  194.344  4922.87   0.0000   0.0000  194.344  4922.87  ?   ?    63.389   30.739 0.000000 30.73905 
1 1 1   59    1    0 o  740.584   37.552 231072.80 22507.56 216602.00 31793.28 245611.50 31867.84  701.326   56.306  750.692   52.615 -49.36609 77.06268 
1 1 1   59    1    1 o  566.933   28.971 133544.80 13291.49 127600.20 18769.37 139524.50 18824.76  546.945   42.600  573.235   40.709 -26.28973 58.92342 
1 1 1   59    1    2 o  317.844   17.687 41461.43  4546.49 37483.05  6379.97 45566.32  6480.63  300.126   26.451  331.737   24.227 -31.61057 35.86908 
1 1 1   59    1    3 o  399.955   21.004 65849.29  6797.27 64911.55  9559.78 66808.13  9666.69  394.255   30.090  400.045   29.978 -5.790009 42.47455 
1 1 1   59    1    4 o  238.278   12.292 23202.78  2370.08 23941.21  3788.82 22728.06  3037.83  240.864   19.541  235.283   15.996 5.580811 25.25369 
1 1 1   59    1    5 o  148.413   9.2216  8997.56  1105.76  8591.85  1540.72  9428.51  1587.92  144.526   13.278  151.489   13.036 -6.963196 18.60770 
1 1 1   59    1    6 o  349.004   15.767 49804.99  4468.10 49307.94  5579.66 50693.47  7459.85  345.965   19.947  348.891   26.532 -2.925964 33.19393 
1 1 1   59    1    7 o  163.936   8.8359 10969.10  1171.81 11386.41  1643.73 10537.85  1670.98  166.637   12.234  160.172   12.959 6.465363 17.82174 
1 1 1   59    1    8 o  225.697   10.333 20759.63  1893.54 21316.89  2664.71 20191.22  2691.24  227.838   14.479  221.615   15.045 6.223907 20.88069 
1 1 1   59    1    9 o  483.406   20.147 96549.36  7907.82 96480.95  9549.22 96698.70 14106.91  480.640   24.551  472.920   37.033 7.719360 44.43167 
1 1 1   59    1   10 o  400.769   19.034 66510.66  6193.75 61827.54 11237.91 68553.88  7422.93  374.591   37.450  404.638   22.684 -30.04761 43.78426 
1 1 1   59    1   11 o  254.836   12.035 26625.05  2490.27 28479.12  3527.70 24783.38  3515.89  261.888   16.676  243.822   17.884 18.06604 24.45277 
1 1 1   59    1   12 o  273.579   12.535 30769.11  2784.48 31587.20  3947.54 29958.99  3928.22  274.940   17.778  267.552   18.190 7.387451 25.43495 
1 1 1   59    1   13 o   90.001   11.357  3378.63  811.441  3185.96  1146.31  3572.14  1148.80   86.028   17.013   91.461   16.055 -5.433517 23.39252 
1 1 1   59    1   14 o  147.648   10.485  8998.67  1248.81  7949.54  1751.76 10082.82  1780.76  137.194   16.028  155.282   14.284 -18.08881 21.46872 
1 1 1   59    1   15 o   38.748   15.134  395.703  689.064 -358.6926  973.908  1151.89  975.061   36.235   16.191   53.992   18.481 -17.75725 24.57079 
1 1 1   59    1   16 o  160.125   11.709 10674.78  1511.82  9457.79  2153.95 11856.47  2122.48  148.031   18.311  167.141   15.828 -19.11006 24.20353 
1 1 1   59    1   17 o  146.746   12.004  9025.05  1417.81  9410.57  2014.42  8646.59  1995.87  147.555   17.132  141.023   17.828 6.531754 24.72590 
1 1 1   59    1   18 o   54.925   17.317  1309.57  862.777  145.884  1125.34  2969.01  1343.83   42.992   18.323   80.270   20.535 -37.27798 27.52097 
1 1 1   59    1   19 o   68.343   18.312  2155.49  1036.70  243.436  1438.01  4224.72  1495.94   47.855   20.561   95.219   19.986 -47.36404 28.67397 
1 1 1   59    3    0 o  588.495   30.077 144200.30 14323.79 137802.70 20160.07 150722.30 20355.12  567.208   44.121  594.464   42.450 -27.25604 61.22599 
1 1 1   59    3    1 o  391.282   21.002 63027.56  6648.02 63296.13  9296.55 62746.49  9510.54  389.484   29.618  387.476   30.475 2.008636 42.49655 
1 1 1   59    3    2 o   87.579   11.368  3176.16  789.296  4050.01  1015.24  1840.95  1254.94   98.832   12.964   67.132   20.840 31.70004 24.54347 
1 1 1   59    3    3 o  188.210   12.603 14504.51  1914.84 14816.52  2572.07 14116.57  2868.01  189.602   16.884  184.577   19.428 5.024841 25.73954 
1 1 1   59    3    4 o  469.537   17.137 90208.66  6533.44 88374.09  9163.62 92105.45  9317.65  462.243   24.503  471.962   24.398 -9.719086 34.57774 
1 1 1   59    3    5 o  399.121   15.258 65091.81  4944.73 65799.66  6938.67 64361.39  7048.43  399.472   21.471  394.898   22.070 4.574219 30.79120 
1 1 1   59    3    6 o  635.190   22.397 166217.80 11551.56 166489.00 16298.93 165944.00 16374.07  630.247   31.955  629.083   32.164 1.163879 45.33862 
1 1 1   59    3    7 o  250.956   12.809 25769.25  2601.30 25744.08  3257.99 25813.51  4320.53  250.266   16.119  249.412   21.546 0.8541107 26.90794 
1 1 1   59    3    8 o  160.695   11.260 10583.76  1459.89  9860.04  1677.60 12841.91  2963.33  154.747   13.486  175.173   21.270 -20.42668 25.18546 
1 1 1   59    3    9 o  112.121   9.2929  5158.39  838.388  4828.36  1173.40  5502.59  1198.31  107.751   13.723  115.260   13.033 -7.509621 18.92600 
1 1 1   59    3   10 o  140.627   9.1906  8101.32  1043.65  8163.07  1442.91  8033.58  1511.35  140.583   12.780  139.309   13.532 1.273773 18.61321 
1 1 1   59    3   11 o   99.438   13.110  4129.95  1032.68  2859.20  2441.55  4406.81  1139.64   84.522   29.229  102.567   14.054 -18.04533 32.43251 
1 1 1   59    3   12 o   78.820   11.302  2598.73  702.645  2822.18  1006.63  2386.42  981.235   81.222   15.833   74.418   16.655 6.804451 22.97932 
1 1 1   59    3   13 o  166.297   10.227 11380.07  1374.29 11027.26  1947.29 11730.19  1939.82  162.460   14.929  167.765   14.379 -5.304398 20.72784 
1 1 1   59    3   14 o   58.304   14.662  1466.62  693.399  937.535  974.493  2009.21  986.852   50.986   18.391   67.944   17.708 -16.95800 25.53061 
1 1 1   59    3   15 o   82.994   13.141  2923.07  856.055  3453.20  1181.69  2337.59  1241.84   89.272   16.922   72.844   20.259 16.42786 26.39668 
1 1 1   59    3   16 o  107.917   11.980  4885.97  1032.03  5404.24  1436.49  4333.08  1483.68  112.135   16.250   99.153   19.122 12.98217 25.09417 
1 1 1   59    3   17 o   62.025   16.117  1696.18  819.098  897.964  1171.94  2458.49  1145.27   52.073   19.896   74.023   18.968 -21.95028 27.48899 
1 1 1   59    3   18 o   87.484   14.784  3340.11  1012.78  3344.98  1332.22  3333.44  1558.94   85.550   19.599   84.286   22.397 1.264359 29.76163 
1 1 1   59    3   19 o   82.181   15.019  3000.36  965.249  3069.46  1313.35  2919.20  1423.41   80.736   20.110   78.055   21.683 2.680992 29.57319 
1 1 1   59    5    0 o  190.930   9.3346 14834.02  1447.14 14023.95  1646.54 17584.14  3033.79  185.238   10.996  206.415   18.291 -21.17706 21.34170 
1 1 1   59    5    1 o  353.619   18.705 51373.57  5351.54 47040.23  7335.81 56303.13  7824.22  336.128   27.109  368.161   26.348 -32.03323 37.80360 
1 1 1   59    5    2 o  368.940   19.488 55967.57  5817.27 54871.60  7972.45 57215.51  8507.29  363.125   27.238  370.417   28.504 -7.292084 39.42581 
1 1 1   59    5    3 o  144.911   10.842  8599.78  1266.42  7497.91  1596.60 10469.16  2079.61  134.698   14.845  159.198   16.319 -24.50032 22.06049 
1 1 1   59    5    4 o  117.427   9.5494  5649.17  902.614  5143.70  1087.60  6767.74  1617.89  111.674   12.193  127.692   15.953 -16.01719 20.07836 
1 1 1   59    5    5 o  403.188   15.663 66463.92  5127.51 69561.55  7174.00 63228.92  7331.35  410.635   21.592  390.962   23.198 19.67291 31.69205 
1 1 1   59    5    6 o  224.041   10.827 20451.31  1969.58 19233.68  2295.88 23845.08  3832.95  216.698   13.110  240.117   19.837 -23.41870 23.77783 
1 1 1   59    5    7 o  671.167   23.869 186414.59 13008.02 192076.50 18367.67 180717.50 18424.70  675.101   33.508  653.037   34.874 22.06451 48.36275 
1 1 1   59    5    8 o  517.055   21.685 110551.70  9104.01 108055.00 11256.11 115274.40 15481.01  507.760   27.403  517.899   37.059 -10.13904 46.09031 
1 1 1   59    5    9 o  328.026   13.173 44053.64  3508.45 42199.37  4974.56 45888.85  4948.93  318.969   19.298  332.990   18.375 -14.02136 26.64696 
1 1 1   59    5   10 o  192.764   10.289 15225.00  1604.59 14120.42  2263.69 16340.45  2274.81  184.596   15.239  198.925   14.176 -14.32942 20.81345 
1 1 1   59    5   11 o  111.489   9.7994  5120.10  878.086  5619.71  1247.98  4630.26  1235.71  116.132   13.486  104.946   14.922 11.18638 20.11287 
1 1 1   59    5   12 f  115.751   10.049  5526.39  935.053  5099.26  1306.14  5975.43  1339.21  110.069   15.006  119.536   14.067 -9.467438 20.56815 
1 1 1   59    5   13 o  250.408   12.278 25833.92  2496.47 26234.53  3579.41 25454.45  3483.62  249.789   17.764  246.134   17.546 3.655136 24.96828 
1 1 1   59    5   14 o  184.345   10.682 14019.98  1592.01 13557.51  2259.97 14475.54  2243.02  179.639   15.650  185.918   14.986 -6.278625 21.66807 
1 1 1   59    5   15 o  167.653   10.798 11632.88  1462.05  9662.89  2059.21 13635.47  2076.18  150.516   17.156  180.323   14.297 -29.80705 22.33228 
1 1 1   59    5   16 o  148.624   10.990  9184.95  1316.88  8285.26  1847.81 10113.52  1877.23  138.976   16.710  154.403   15.169 -15.42746 22.56825 
1 1 1   59    5   17 o   60.643   15.764  1621.12  783.399  2224.57  973.336  511.216  1320.04   70.726   17.131   49.710   20.410 21.01513 26.64664 
1 1 1   59    5   18 o  126.681   12.101  6800.72  1229.54  5667.38  1606.95  8401.16  1909.61  112.628   18.192  138.013   17.429 -25.38480 25.19381 
1 1 1   59    5   19 o  121.427   12.201  6317.78  1186.65  5763.48  1583.79  7027.17  1791.72  112.652   17.915  124.310   18.299 -11.65865 25.60818 
1 1 1   59    7    0 o  140.922   20.721  8326.61  2300.13   0.0000   0.0000  8326.61  2300.13  ?   ?   140.922   20.721 0.000000 20.72051 
1 1 1   59    7    1 o  256.850   23.721 27421.56  4891.12   0.0000   0.0000 27421.56  4891.12  ?   ?   256.850   23.721 0.000000 23.72057 
1 1 1   59    7    2 o  269.065   23.821 30078.93  5150.47   0.0000   0.0000 30078.93  5150.47  ?   ?   269.065   23.821 0.000000 23.82116 
1 1 1   59    7    3 o  311.361   25.943 40370.74  6499.18   0.0000   0.0000 40370.74  6499.18  ?   ?   311.361   25.943 0.000000 25.94346 
1 1 1   59    7    4 o  325.057   15.024 43180.03  3965.36 43180.03  3965.36   0.0000   0.0000  325.057   15.024  ?   ?  0.000000 15.02396 
1 1 1   59    7    5 o  237.385   9.8890 22946.00  1906.09 21561.01  2593.98 24571.51  2810.21  229.348   13.996  244.859   14.196 -15.51198 19.93526 
1 1 1   59    7    6 o  238.280   11.520 23151.33  2228.87 24419.78  3077.41 21751.80  3232.51  243.788   15.629  229.676   17.464 14.11218 23.43638 
1 1 1   59    7    7 o  428.006   16.864 75153.63  5860.64 76893.84  8253.72 73384.03  8323.10  430.137   23.724  419.845   24.522 10.29245 34.11949 
1 1 1   59    7    8 o  260.957   12.617 27839.67  2673.40 29148.33  3767.96 26513.08  3793.69  265.601   17.571  252.988   18.599 12.61298 25.58615 
1 1 1   59    7    9 o   47.637   12.841  960.791  507.988  920.701  569.636  1116.52  1122.69   47.037   13.929   55.640   19.776 -8.602501 24.18865 
1 1 1   59    7   10 o  220.068   11.399 19883.14  2029.93 20163.19  2854.66 19596.69  2887.11  220.421   16.061  217.157   16.497 3.264130 23.02390 
1 1 1   59    7   11 o   46.058   12.228  902.043  464.946  518.480  569.870  1665.70  804.097   38.843   14.056   62.262   15.861 -23.41895 21.19291 
1 1 1   59    7   12 o  113.869   13.794  5428.05  1249.38  8876.12  3231.67  4822.13  1354.72  140.334   29.307  106.623   16.154 33.71038 33.46423 
1 1 1   59    7   13 o   87.132   10.645  3163.03  737.471  2994.98  978.511  3383.99  1122.04   83.751   14.937   88.828   16.152 -5.077271 21.99993 
1 1 1   59    7   14 o  244.312   11.618 24622.89  2304.62 22851.34  3265.37 26381.16  3253.10  232.490   17.424  250.612   16.071 -18.12166 23.70446 
1 1 1   59    7   15 o  155.835   10.429 10051.31  1311.94  9262.22  1792.52 10961.62  1925.30  148.003   15.129  161.226   14.875 -13.22295 21.21646 
1 1 1   59    7   16 o   70.407   13.024  2129.73  717.158  1542.07  952.589  2898.58  1089.59   59.639   18.093   81.181   17.071 -21.54226 24.87525 
1 1 1   59    7   17 o   82.575   13.448  2935.37  870.651  2641.58  1122.07  3379.88  1380.19   76.676   18.281   86.227   20.087 -9.550461 27.15981 
1 1 1   59    7   18 o  139.440   11.870  8233.52  1331.14  7841.40  1770.64  8743.19  2018.68  133.432   16.709  140.019   18.185 -6.587341 24.69636 
1 1 1   59    7   19 o   22.950   11.076 -909.8411  620.341 -883.1100  693.442 -1016.9510  1388.09   25.051   11.991   38.253   17.901 -13.20156 21.54590 
1 1 1   59    9    1 o  380.491   30.829 60799.84  9442.56   0.0000   0.0000 60799.84  9442.56  ?   ?   380.491   30.829 0.000000 30.82878 
1 1 1   59    9    2 f  171.198   20.672 12218.71  2815.38   0.0000   0.0000 12218.71  2815.38  ?   ?   171.198   20.672 0.000000 20.67197 
1 1 1   59    9    3 o  172.434   20.904 12403.18  2866.97   0.0000   0.0000 12403.18  2866.97  ?   ?   172.434   20.904 0.000000 20.90404 
1 1 1   59    9    4 o  307.251   19.015 38904.63  4720.57 44062.83  7272.03 35148.13  6205.82  324.397   27.879  289.873   26.666 34.52374 38.57854 
1 1 1   59    9    5 o  446.267   16.957 81627.90  6144.26 80720.54  7525.31 83442.40 10641.74  442.680   20.936  446.020   29.552 -3.340027 36.21664 
1 1 1   59    9    6 o  116.672   9.4390  5580.35  886.530  6867.41  1111.05  3324.93  1470.78  129.355   10.673   88.067   20.885 41.28780 23.45413 
1 1 1   59    9    7 o  102.535   9.2355  4317.98  760.652  5337.44  968.277  2674.79  1229.30  113.908   10.590   79.005   19.323 34.90263 22.03484 
1 1 1   59    9    8 o  228.079   9.7202 21220.83  1800.11 19757.98  2483.61 22839.80  2612.78  219.075   14.036  235.675   13.713 -16.59988 19.62285 
1 1 1   59    9    9 f  108.380   9.3538  4829.69  815.075  6189.74  1061.10  2872.20  1273.00  122.574   10.771   81.568   19.488 41.00607 22.26600 
1 1 1   59    9   10 o  106.830   8.8369  4691.36  759.649  4274.72  974.823  5335.58  1212.16  101.374   12.081  113.121   13.461 -11.74680 18.08755 
1 1 1   59    9   11 o   57.221   11.146  1388.35  499.260  1078.95  598.345  2097.48  905.841   50.404   14.079   69.742   16.291 -19.33808 21.53125 
1 1 1   59    9   12 o  100.980   9.2817  4208.74  752.515  3807.51  971.715  4809.89  1189.42   95.254   12.895  106.968   14.033 -11.71457 19.05809 
1 1 1   59    9   13 o   62.912   12.590  1690.79  620.676  1252.08  785.313  2420.91  1013.10   54.425   16.409   74.606   17.091 -20.18132 23.69296 
1 1 1   59    9   14 o   88.112   11.377  3254.31  794.962  4131.64  1086.05  2241.72  1166.78   98.766   13.930   71.399   19.552 27.36681 24.00646 
1 1 1   59    9   15 o   58.760   14.488  1501.23  686.885  1397.35  843.990  1705.01  1182.11   56.968   16.974   63.210   20.306 -6.242046 26.46611 
1 1 1   59    9   16 o   45.677   15.202  846.090  659.740  1690.16  796.405 -1000.0280  1177.81   61.987   15.782   35.511   16.576 26.47546 22.88716 
1 1 1   59    9   17 o  123.381   11.210  6399.76  1110.73  6135.19  1448.53  6777.31  1730.41  119.040   15.343  123.996   17.689 -4.955391 23.41594 
1 1 1   59    9   18 o  133.200   11.353  7512.41  1216.13  8168.85  1611.44  6643.85  1853.61  137.090   14.706  120.491   19.622 16.59962 24.52126 
1 1 1   59    9   19 o  136.190   12.105  7981.90  1324.69  8868.71  1742.24  6766.73  2039.45  141.193   15.449  117.991   22.100 23.20130 26.96423 
1 1 1   59   11    0 o  131.714   24.546  7401.12  2528.58   0.0000   0.0000  7401.12  2528.58  ?   ?   131.714   24.546 0.000000 24.54632 
1 1 1   59   11    1 o  353.023   29.713 52382.63  8437.78   0.0000   0.0000 52382.63  8437.78  ?   ?   353.023   29.713 0.000000 29.71285 
1 1 1   59   11    2 o  198.033   22.181 16368.99  3505.30   0.0000   0.0000 16368.99  3505.30  ?   ?   198.033   22.181 0.000000 22.18051 
1 1 1   59   11    3 f  431.905   33.976 79086.09 11818.88   0.0000   0.0000 79086.09 11818.88  ?   ?   431.905   33.976 0.000000 33.97585 
1 1 1   59   11    4 f  372.244   21.878 57388.57  6583.59 60173.41  9928.93 55203.46  8795.05  376.671   32.791  361.849   30.211 14.82117 44.58648 
1 1 1   59   11    5 o  246.745   17.788 25139.36  3539.96 26565.99  5650.67 24217.78  4541.63  250.590   28.265  240.641   23.545 9.949249 36.78729 
1 1 1   59   11    6 o   93.194   19.482  3712.54  1426.75  3242.31  3051.32  3844.12  1614.07   92.358   32.626   94.554   21.508 -2.196442 39.07787 
1 1 1   59   11    7 o  124.237   8.3572  6316.45  838.136  6115.71  1042.28  6683.80  1409.94  121.932   10.634  126.955   13.905 -5.023155 17.50527 
1 1 1   59   11    8 o  157.336   9.6797 10144.52  1230.60 11473.19  1617.66  8319.44  1895.92  166.959   12.013  140.982   16.899 25.97655 20.73373 
1 1 1   59   11    9 o  219.616   9.7856 19715.39  1744.97 18622.89  2392.09 20957.97  2551.11  212.259   13.957  225.208   14.021 -12.94917 19.78337 
1 1 1   59   11   10 o  106.178   9.0827  4641.08  775.506  3726.93  883.966  7695.62  1615.85   94.571   11.766  135.669   14.915 -41.09801 18.99691 
1 1 1   59   11   11 f   81.442   8.9574  2744.99  582.549  2726.49  694.387  2788.95  1070.42   80.806   10.858   80.384   16.935 0.4227524 20.11667 
1 1 1   59   11   12 o   65.565   10.572  1809.02  543.668  1752.84  637.949  1958.08  1039.13   64.082   12.709   67.163   18.476 -3.081245 22.42530 
1 1 1   59   11   13 o  216.165   14.285 19516.42  2493.15 22074.53  5920.19 18964.94  2748.78  216.220   34.910  212.296   16.065 3.923798 38.42952 
1 1 1   59   11   14 o  331.913   14.656 46067.57  3949.90 46178.00  5651.19 45962.09  5523.02  326.369   21.445  326.049   20.973 0.3198242 29.99576 
1 1 1   59   11   15 f   54.797   13.118  1301.81  575.897  845.344  664.936  2672.07  1152.06   45.788   15.263   77.515   18.552 -31.72697 24.02336 
1 1 1   59   11   16 o   67.931   12.473  1986.48  662.617  1492.89  769.792  3398.17  1301.84   58.226   15.855   86.976   18.968 -28.75005 24.72190 
1 1 1   59   11   17 o   31.871   13.035  180.544  535.836  192.060  601.850  136.515  1176.77   33.534   13.777   43.589   18.661 -10.05425 23.19521 
1 1 1   59   11   18 o   34.072   13.506  304.670  555.976  166.856  612.049  955.103  1329.66   33.190   13.788   52.982   20.923 -19.79188 25.05742 
1 1 1   59   13    0 o  440.631   35.846 82990.11 12713.61   0.0000   0.0000 82990.11 12713.61  ?   ?   440.631   35.846 0.000000 35.84565 
1 1 1   59   13    1 o  169.570   22.915 12099.62  3074.23   0.0000   0.0000 12099.62  3074.23  ?   ?   169.570   22.915 0.000000 22.91483 
1 1 1   59   13    2 o  578.143   45.024 146608.91 20969.09   0.0000   0.0000 146608.91 20969.09  ?   ?   578.143   45.024 0.000000 45.02405 
1 1 1   59   13    3 o   77.262   23.839  2477.86  1644.92   0.0000   0.0000  2477.86  1644.92  ?   ?    77.262   23.839 0.000000 23.83909 
1 1 1   59   13    4 o  101.340   20.402  4387.24  1620.73  4702.12  3122.55  4271.13  1896.14  105.299   32.904   99.469   23.796 5.830887 40.60718 
1 1 1   59   13    5 o  510.347   27.987 109849.50 11552.97 114815.30 17030.23 105616.00 15724.50  510.683   41.428  491.188   39.768 19.49533 57.42603 
1 1 1   59   13    6 o  279.155   18.813 32370.37  4239.42 38197.95  6774.70 28619.56  5435.10  299.306   28.209  259.664   26.134 39.64197 38.45412 
1 1 1   59   13    7 f  204.671   14.016 17292.55  2315.24 25283.59  5023.91 15137.81  2608.78  243.352   25.820  190.663   17.031 52.68881 30.93064 
1 1 1   59   13    8 o  219.014   14.133 19834.12  2499.82 22481.99  5437.55 19124.50  2814.94  226.282   30.361  214.403   16.291 11.87862 34.45540 
1 1 1   59   13    9 o  408.620   19.027 69817.14  6312.78 88497.02 12098.86 62829.38  7399.91  445.512   33.695  383.821   23.862 61.69141 41.28909 
1 1 1   59   13   10 o  139.717   9.1655  8020.39  1034.03  7981.78  1203.14  8129.52  2022.62  139.072   10.738  138.230   18.484 0.8416748 21.37621 
1 1 1   59   13   11 o   89.603   15.737  3434.21  1103.20  5077.64  3574.70  3261.21  1159.81  105.780   35.390   86.925   17.042 18.85506 39.27980 
1 1 1   59   13   12 o  242.872   10.873 24280.89  2144.23 21730.59  2964.83 27077.71  3104.82  227.365   16.165  254.455   15.095 -27.08980 22.11711 
1 1 1   59   13   13 o  239.840   14.895 24132.22  2886.36 31725.66  6948.05 22548.49  3173.11  259.180   33.822  230.648   17.064 28.53191 37.88317 
1 1 1   59   13   14 o  107.953   9.3389  4829.58  810.527  4955.93  970.692  4538.61  1473.02  108.908   11.134  101.703   18.520 7.205513 21.60885 
1 1 1   59   13   15 o   50.333   11.746  1095.26  471.279  1003.10  513.493  1587.66  1186.90   48.141   12.883   61.161   20.392 -13.02061 24.12054 
1 1 1   59   13   16 o   67.418   10.515  1932.22  556.811  1756.39  630.659  2553.86  1185.83   63.619   12.654   74.849   19.365 -11.23089 23.13257 
1 1 1   59   13   17 o   41.223   12.689  725.431  466.387  676.951  499.015  1060.20  1311.31   40.381   13.211   54.326   20.972 -13.94494 24.78646 
1 1 1   59   13   18 o   61.442   12.067  1660.28  580.553  1734.55  631.478  1254.74  1475.62   62.547   12.864   56.785   22.156 5.761475 25.61965 
1 1 1   59   15    3 o  317.745   28.248 42855.07  7211.80   0.0000   0.0000 42855.07  7211.80  ?   ?   317.745   28.248 0.000000 28.24752 
1 1 1   59   15    4 o  269.674   25.766 30807.67  5573.27   0.0000   0.0000 30807.67  5573.27  ?   ?   269.674   25.766 0.000000 25.76617 
1 1 1   59   15    5 o  409.968   33.990 73323.20 11212.58   0.0000   0.0000 73323.20 11212.58  ?   ?   409.968   33.990 0.000000 33.99012 
1 1 1   59   15    6 o  133.600   19.424  7573.20  2045.34  4759.58  3902.05  8639.12  2401.72  106.589   36.946  142.236   21.464 -35.64732 42.72848 
1 1 1   59   15    7 o  124.425   14.552  6469.75  1442.39 14035.76  3882.20  5258.08  1553.59  179.065   27.587  111.171   17.812 67.89394 32.83776 
1 1 1   59   15    8 o   58.048   16.420  1437.25  808.616  2961.17  3253.67  1336.93  834.808   89.257   33.361   56.358   16.902 32.89927 37.39841 
1 1 1   59   15    9 o  178.684   14.160 13286.67  2037.61  4691.01  5091.80 14925.64  2223.40  108.254   41.445  189.311   14.577 -81.05756 43.93357 
1 1 1   59   15   10 o  358.301   18.677 54170.25  5414.87 49605.50 10962.69 55643.32  6227.58  317.839   43.630  361.087   21.335 -43.24832 48.56704 
1 1 1   59   15   11 o   97.737   15.893  4086.33  1217.93  618.386  4080.35  4425.53  1276.10   79.561   34.410  101.775   15.967 -22.21433 37.93460 
1 1 1   59   15   12 o  236.435   15.543 23513.26  2967.27 22085.28  7223.37 23803.14  3254.55  205.530   44.568  237.081   17.020 -31.55090 47.70710 
1 1 1   59   15   13 o  140.993   14.889  8424.32  1678.76  2762.58  4864.43  9189.81  1788.65   92.588   38.701  147.201   15.183 -54.61243 41.57317 
1 1 1   59   15   14 o  105.047   8.7432  4570.45  738.975  4063.55  854.588  6072.92  1471.30   98.463   10.870  118.888   15.619 -20.42529 19.02968 
1 1 1   59   15   15 o   81.744   9.4216  2797.95  613.902  2901.66  690.546  2407.00  1340.73   82.974   10.484   72.607   21.333 10.36686 23.76960 
1 1 1   59   15   16 o   30.668   10.942  342.735  344.038  161.041  362.837  1961.07  1082.87   27.129   10.859   65.531   19.149 -38.40258 22.01338 
1 1 1   59   15   17 o  136.662   9.6112  7845.46  1059.72  6606.25  1264.10 10775.74  1943.84  123.768   12.762  156.306   15.521 -32.53832 20.09407 
1 1 1   59   17    0 o  105.934   30.223  4919.23  2727.26   0.0000   0.0000  4919.23  2727.26  ?   ?   105.934   30.223 0.000000 30.22262 
1 1 1   59   17    1 o   58.986   24.761  308.592  2004.16   0.0000   0.0000  308.592  2004.16  ?   ?    58.986   24.761 0.000000 24.76095 
1 1 1   59   17    5 o  354.147   31.330 55091.61  8916.11   0.0000   0.0000 55091.61  8916.11  ?   ?   354.147   31.330 0.000000 31.32982 
1 1 1   59   17    6 o  355.225   31.546 55858.19  9004.23   0.0000   0.0000 55858.19  9004.23  ?   ?   355.225   31.546 0.000000 31.54626 
1 1 1   59   17    7 o  212.098   23.664 19401.16  4005.85   0.0000   0.0000 19401.16  4005.85  ?   ?   212.098   23.664 0.000000 23.66396 
1 1 1   59   17    8 o  246.573   14.949 25322.91  2978.81 34814.47  6892.33 23142.74  3303.26  278.479   31.008  234.598   17.466 43.88162 35.58879 
1 1 1   59   17    9 o   99.445   15.351  4207.03  1199.63  6101.21  3708.52  3985.66  1267.79  113.766   35.906   96.315   16.823 17.45100 39.65163 
1 1 1   59   17   10 o   43.130   16.751  515.303  840.506 -3642.1941  3864.05  721.782  861.125   61.205   29.014   46.363   17.195 14.84216 33.72721 
1 1 1   59   17   11 o   73.234   17.317  2351.15  1013.53 -3695.1279  4415.30  2687.47  1041.33   65.761   31.128   78.480   16.845 -12.71916 35.39398 
1 1 1   59   17   12 o   98.344   18.326  4241.05  1409.57 10793.09  5097.09  3698.48  1466.77  142.186   41.543   91.002   20.360 51.18384 46.26386 
1 1 1   59   17   13 o  106.169   18.648  4970.79  1548.93  9232.43  5643.55  4623.61  1610.79  127.114   44.412  101.640   20.229 25.47448 48.80183 
1 1 1   59   17   14 o   58.040   20.747  1349.57  1237.36  1108.46  5632.51  1361.80  1268.34   85.664   38.557   58.426   20.992 27.23797 43.90120 
1 1 1   59   17   15 o   44.385   18.715  263.402  1153.17  6087.47  6102.38   47.724  1174.33  102.301   43.089   42.732   18.471 59.56901 46.88085 
1 1 1   59   17   16 o   40.499   17.977 -179.7875  1179.99 -2181.6311  6650.02 -114.7099  1199.01   75.151   36.268   41.331   18.244 33.82013 40.59869 
1 1 1   59   17   17 o  132.823   19.177  8270.70  2008.29   0.0000   0.0000  8270.70  2008.29  ?   ?   132.823   19.177 0.000000 19.17688 
1 1 1   59   19    0 o  169.448   27.719 12608.17  3681.88   0.0000   0.0000 12608.17  3681.88  ?   ?   169.448   27.719 0.000000 27.71926 
1 1 1   59   19    1 o  277.742   28.747 33633.42  6389.04   0.0000   0.0000 33633.42  6389.04  ?   ?   277.742   28.747 0.000000 28.74673 
1 1 1   59   19    2 o  138.808   26.271  8490.71  2852.52   0.0000   0.0000  8490.71  2852.52  ?   ?   138.808   26.271 0.000000 26.27116 
1 1 1   59   19    3 o  375.612   33.930 63262.42 10236.53   0.0000   0.0000 63262.42 10236.53  ?   ?   375.612   33.930 0.000000 33.93039 
1 1 1   59   19    4 o  410.032   36.268 76746.95 11950.33   0.0000   0.0000 76746.95 11950.33  ?   ?   410.032   36.268 0.000000 36.26821 
1 1 1   59   19    5 o  177.498   41.515 15346.82  5876.63 15346.82  5876.63   0.0000   0.0000  177.498   41.515  ?   ?  0.000000 41.51526 
1 1 1   59   19    6 o   59.490   27.885 -2815.7261  3391.62 -2815.7261  3391.62   0.0000   0.0000   59.490   27.885  ?   ?  0.000000 27.88456 
1 1 1   59   19    8 o  103.241   15.185  4531.49  1234.94   0.0000   0.0000  4531.49  1234.94  ?   ?   103.241   15.185 0.000000 15.18541 
1 1 1   59   19    9 o   64.589   17.065  1819.73  908.358   0.0000   0.0000  1819.73  908.358  ?   ?    64.589   17.065 0.000000 17.06469 
1 1 1   59   19   10 o  145.353   14.753  8923.65  1717.04 10739.97  5830.35  8751.16  1796.72  140.355   45.098  143.579   15.666 -3.223572 47.74136 
1 1 1   59   19   11 o   59.716   20.144  1474.29  1158.27  720.468  5123.82  1514.89  1189.05   84.737   37.544   60.474   20.410 24.26301 42.73325 
1 1 1   59   19   12 o  220.970   16.247 20858.08  2894.68 14518.51  8284.59 21739.66  3089.40  146.233   53.489  225.068   17.031 -78.83514 56.13476 
1 1 1   59   19   13 o   86.431   20.887  3424.97  1449.56 13923.81  6334.66  2844.84  1489.07  148.335   46.939   78.465   22.313 69.87006 51.97272 
1 1 1   59   19   14 o  211.572   17.445 19647.53  2970.15  5727.90  9337.08 21214.62  3132.88  103.400   47.711  219.634   17.718 -116.2337 50.89474 
1 1 1   59   19   15 o   74.221   22.297  2646.95  1451.92  6423.99  7602.87  2503.99  1479.14   98.299   44.468   72.294   22.655 26.00509 49.90692 
1 1 1   59   19   16 o   59.032   22.068  1516.87  1423.82   0.0000   0.0000  1516.87  1423.82  ?   ?    59.032   22.068 0.000000 22.06815 
1 1 1   59   21    0 o   51.263   22.854 -572.7987  1928.11   0.0000   0.0000 -572.7987  1928.11  ?   ?    51.263   22.854 0.000000 22.85350 
1 1 1   59   21    1 o   59.653   24.806  543.631  1983.83   0.0000   0.0000  543.631  1983.83  ?   ?    59.653   24.806 0.000000 24.80620 
1 1 1   59   21    2 o   24.574   12.193 -2198.6021  928.065   0.0000   0.0000 -2198.6021  928.065  ?   ?    24.574   12.193 0.000000 12.19350 
1 1 1   59   21    3 o  149.566   27.000 10021.93  3158.25   0.0000   0.0000 10021.93  3158.25  ?   ?   149.566   27.000 0.000000 26.99966 
1 1 1   59   21    4 o  285.931   29.621 36692.94  6777.32   0.0000   0.0000 36692.94  6777.32  ?   ?   285.931   29.621 0.000000 29.62132 
1 1 1   59   21    5 o   51.577   22.083   89.502  1648.43 -4205.8828  4447.55  773.534  1774.83   65.260   30.992   58.803   23.848 6.456928 39.10545 
1 1 1   59   21    6 o   69.151   25.498  1781.84  1887.94  2361.94  4814.30  1676.42  2052.33   92.422   38.556   69.439   26.377 22.98275 46.71487 
1 1 1   59   21    7 o  108.266   42.716  5054.77  5537.37  5054.77  5537.37   0.0000   0.0000  108.266   42.716  ?   ?  0.000000 42.71553 
1 1 1   59   21    8 o   71.664   17.443  2256.41  1005.42  2803.77  5167.40  2234.88  1025.01   94.991   39.811   71.274   17.773 23.71752 43.59800 
1 1 1   59   21    9 o   86.991   19.376  3362.05  1333.49   0.0000   0.0000  3362.05  1333.49  ?   ?    86.991   19.376 0.000000 19.37571 
1 1 1   59   21   10 o   27.428   13.673 -3060.9199  1223.62   0.0000   0.0000 -3060.9199  1223.62  ?   ?    27.428   13.673 0.000000 13.67335 
1 1 1   59   21   11 o   40.819   16.920  254.283  918.748  943.817  5940.06  237.383  929.939   87.642   39.508   40.830   16.982 46.81275 43.00262 
1 1 1   59   21   12 o   77.379   21.257  2760.08  1376.60 -1990.2380  6824.47  2961.57  1405.49   81.715   38.686   80.096   21.258 1.619614 44.14184 
1 1 1   59   21   13 o   57.417   21.225  1304.52  1309.85 -1110.9330  7261.79  1385.75  1331.69   82.827   39.413   58.547   21.441 24.28035 44.86722 
1 1 1   59   21   14 o  160.641   17.124 11514.16  2199.20  9299.05  9314.98 11644.92  2263.18  104.286   47.950  161.178   17.578 -56.89204 51.07071 
1 1 1   59   21   15 o   90.744   23.036  4140.61  1700.35   0.0000   0.0000  4140.61  1700.35  ?   ?    90.744   23.036 0.000000 23.03638 
1 1 1   59   23    0 f   82.923   30.623  2754.69  2725.14   0.0000   0.0000  2754.69  2725.14  ?   ?    82.923   30.623 0.000000 30.62261 
1 1 1   59   23    1 o  128.797   31.969  7879.72  3327.59   0.0000   0.0000  7879.72  3327.59  ?   ?   128.797   31.969 0.000000 31.96857 
1 1 1   59   23    2 o  116.925   30.784  6451.73  2962.81   0.0000   0.0000  6451.73  2962.81  ?   ?   116.925   30.784 0.000000 30.78447 
1 1 1   59   23    3 o  189.561   28.748 16414.78  4285.97   0.0000   0.0000 16414.78  4285.97  ?   ?   189.561   28.748 0.000000 28.74780 
1 1 1   59   23    4 o  245.221   29.541 27550.41  5763.67   0.0000   0.0000 27550.41  5763.67  ?   ?   245.221   29.541 0.000000 29.54149 
1 1 1   59   23    5 f  270.083   30.033 33632.55  6474.71   0.0000   0.0000 33632.55  6474.71  ?   ?   270.083   30.033 0.000000 30.03328 
1 1 1   59   23    6 o  246.740   24.065 27024.78  4760.00 26421.57  8688.14 27283.50  5689.96  214.948   50.617  242.984   29.441 -28.03636 58.55605 
1 1 1   59   23    7 o  227.680   14.475 21820.58  2662.07 38997.82  8340.21 19872.07  2809.00  279.198   37.758  216.324   16.108 62.87405 41.05047 
1 1 1   59   23    8 o  113.820   14.217  5515.06  1285.26 19813.71  7042.08  5022.35  1307.22  186.071   46.687  108.146   15.315 77.92432 49.13495 
1 1 1   59   23    9 o   56.131   18.858  1310.86  1015.02  3697.50  6856.54  1257.39  1026.32  100.634   44.049   55.415   18.961 45.21869 47.95660 
1 1 1   59   23   10 o  114.604   48.669  7939.30  7888.53  7939.30  7888.53   0.0000   0.0000  114.604   48.669  ?   ?  0.000000 48.66870 
1 1 1   59   23   11 o   80.767   19.227  2979.49  1242.75   0.0000   0.0000  2979.49  1242.75  ?   ?    80.767   19.227 0.000000 19.22711 
1 1 1   59   23   12 o   48.354   19.636  607.593  1205.11   0.0000   0.0000  607.593  1205.11  ?   ?    48.354   19.636 0.000000 19.63646 
1 1 1   59   23   13 o   35.964   16.494 -567.8011  1092.73   0.0000   0.0000 -567.8011  1092.73  ?   ?    35.964   16.494 0.000000 16.49422 
1 1 1   59   23   14 o   52.772   20.818  1029.39  1315.15   0.0000   0.0000  1029.39  1315.15  ?   ?    52.772   20.818 0.000000 20.81827 
1 1 1   59   25    0 o  224.908   35.666 24968.92  6295.83   0.0000   0.0000 24968.92  6295.83  ?   ?   224.908   35.666 0.000000 35.66564 
1 1 1   59   25    1 o  131.972   39.105  9141.67  4488.87   0.0000   0.0000  9141.67  4488.87  ?   ?   131.972   39.105 0.000000 39.10524 
1 1 1   59   25    2 o  138.025   34.739  9529.73  3890.34   0.0000   0.0000  9529.73  3890.34  ?   ?   138.025   34.739 0.000000 34.73907 
1 1 1   59   25    3 o  144.814   36.908 10739.35  4352.55   0.0000   0.0000 10739.35  4352.55  ?   ?   144.814   36.908 0.000000 36.90808 
1 1 1   59   25    4 o  212.968   34.203 22240.13  5714.26   0.0000   0.0000 22240.13  5714.26  ?   ?   212.968   34.203 0.000000 34.20276 
1 1 1   59   25    5 o  125.385   34.505  7984.05  3623.44   0.0000   0.0000  7984.05  3623.44  ?   ?   125.385   34.505 0.000000 34.50491 
1 1 1   59   25    6 o   45.244   16.485  739.383  785.829  4341.94  7118.18  694.934  790.662  103.859   45.184   44.616   16.491 59.24278 48.09910 
1 1 1   59   25    7 o   52.141   16.130  1165.81  752.482  6785.68  7293.85  1105.35  756.519  111.656   47.073   51.066   16.228 60.59076 49.79129 
1 1 1   59   25    8 o   40.139   15.980  405.408  781.396  4448.33  7743.19  363.812  785.405  102.347   45.700   39.655   15.940 62.69197 48.40025 
1 1 1   59   25    9 o   53.239   19.240  1111.93  1067.19 -307.3367  8526.45  1134.52  1075.65   90.355   42.910   53.616   19.325 36.73811 47.06120 
1 1 1   59   25   10 o  147.729   16.015  9544.88  1890.31  7514.52 10055.01  9619.27  1924.62  105.756   49.048  148.145   16.268 -42.38877 51.67539 
1 1 1   59   25   11 o   60.107   22.112  1526.61  1418.68   0.0000   0.0000  1526.61  1418.68  ?   ?    60.107   22.112 0.000000 22.11192 
1 1 1   59   25   12 o   94.929   24.647  4597.09  1916.54   0.0000   0.0000  4597.09  1916.54  ?   ?    94.929   24.647 0.000000 24.64692 
1 1 1   59   25   13 o  165.965   18.925 12948.08  2504.64   0.0000   0.0000 12948.08  2504.64  ?   ?   165.965   18.925 0.000000 18.92452 
1 1 1   59   27    0 o  122.482   11.547  6304.14  1134.78   0.0000   0.0000  6304.14  1134.78  ?   ?   122.482   11.547 0.000000 11.54669 
1 1 1   59   27    1 o   54.910   13.498  1316.96  597.557   0.0000   0.0000  1316.96  597.557  ?   ?    54.910   13.498 0.000000 13.49782 
1 1 1   59   27    2 o  157.662   14.300 10579.95  1810.67   0.0000   0.0000 10579.95  1810.67  ?   ?   157.662   14.300 0.000000 14.29966 
1 1 1   59   27    3 o  103.609   38.104  5651.66  4212.50   0.0000   0.0000  5651.66  4212.50  ?   ?   103.609   38.104 0.000000 38.10446 
1 1 1   59   27    4 o  118.234   39.124  7851.55  4372.03   0.0000   0.0000  7851.55  4372.03  ?   ?   118.234   39.124 0.000000 39.12410 
1 1 1   59   27    5 o  108.241   15.152  5076.09  1295.18   0.0000   0.0000  5076.09  1295.18  ?   ?   108.241   15.152 0.000000 15.15199 
1 1 1   59   27    6 o  208.335   14.063 18501.61  2364.99   0.0000   0.0000 18501.61  2364.99  ?   ?   208.335   14.063 0.000000 14.06298 
1 1 1   59   27    7 o   88.615   17.178  3516.40  1191.41  6243.13  9544.07  3473.24  1200.80  104.537   48.236   87.944   17.432 16.59232 51.28929 
1 1 1   59   27    8 o   55.817   17.196  1384.35  856.245 -9974.3604  9525.16  1476.89  859.726   76.235   38.028   57.420   17.137 18.81549 41.71071 
1 1 1   59   27    9 o  155.813   33.541 13442.44  4117.83   0.0000   0.0000 13442.44  4117.83  ?   ?   155.813   33.541 0.000000 33.54105 
1 1 1   59   27   10 o   66.184   21.464  2088.79  1318.36   0.0000   0.0000  2088.79  1318.36  ?   ?    66.184   21.464 0.000000 21.46382 
1 1 1   59   27   11 o   65.010   21.733  2057.72  1348.10   0.0000   0.0000  2057.72  1348.10  ?   ?    65.010   21.733 0.000000 21.73345 
1 1 1   59   29    0 o   82.292   8.7633  2833.37  576.544   0.0000   0.0000  2833.37  576.544  ?   ?    82.292   8.7633 0.000000 8.763326 
1 1 1   59   29    1 o  107.724   10.033  4871.04  867.468   0.0000   0.0000  4871.04  867.468  ?   ?   107.724   10.033 0.000000 10.03292 
1 1 1   59   29    2 o   17.921   8.2037 -180.2155  268.552   0.0000   0.0000 -180.2155  268.552  ?   ?    17.921   8.2037 0.000000 8.203683 
1 1 1   59   29    3 o  136.586   12.467  7941.15  1367.37   0.0000   0.0000  7941.15  1367.37  ?   ?   136.586   12.467 0.000000 12.46680 
1 1 1   59   29    4 f   60.665   14.823  1642.39  723.923   0.0000   0.0000  1642.39  723.923  ?   ?    60.665   14.823 0.000000 14.82284 
1 1 1   59   29    5 o   41.750   15.271  645.065  675.259   0.0000   0.0000  645.065  675.259  ?   ?    41.750   15.271 0.000000 15.27086 
1 1 1   59   29    6 f   16.685   8.3046 -1097.7230  443.845   0.0000   0.0000 -1097.7230  443.845  ?   ?    16.685   8.3046 0.000000 8.304593 
1 1 1   59   29    7 o   59.547   18.215  1631.02  962.677   0.0000   0.0000  1631.02  962.677  ?   ?    59.547   18.215 0.000000 18.21468 
1 1 1   59   29    8 o   56.733   25.643   24.831  2521.79   0.0000   0.0000   24.831  2521.79  ?   ?    56.733   25.643 0.000000 25.64255 
1 1 1   59   29    9 o   57.215   20.635  1484.13  1226.77   0.0000   0.0000  1484.13  1226.77  ?   ?    57.215   20.635 0.000000 20.63538 
1 1 1   59   29   10 o   59.365   26.936  578.019  2814.61   0.0000   0.0000  578.019  2814.61  ?   ?    59.365   26.936 0.000000 26.93636 
1 1 1   59   31    0 o   73.276   21.958  2621.14  1409.46   0.0000   0.0000  2621.14  1409.46  ?   ?    73.276   21.958 0.000000 21.95827 
1 1 1   59   31    1 o   98.601   10.244  4128.53  808.174   0.0000   0.0000  4128.53  808.174  ?   ?    98.601   10.244 0.000000 10.24401 
1 1 1   59   31    2 o   57.610   12.095  1463.03  547.765   0.0000   0.0000  1463.03  547.765  ?   ?    57.610   12.095 0.000000 12.09518 
1 1 1   59   31    3 o   50.493   14.135  1143.81  602.432   0.0000   0.0000  1143.81  602.432  ?   ?    50.493   14.135 0.000000 14.13475 
1 1 1   59   31    4 o   46.275   15.099  932.511  652.011   0.0000   0.0000  932.511  652.011  ?   ?    46.275   15.099 0.000000 15.09902 
1 1 1   59   31    5 o   48.958   17.036  1032.93  830.050   0.0000   0.0000  1032.93  830.050  ?   ?    48.958   17.036 0.000000 17.03636 
1 1 1   59   31    6 o   54.174   18.704  1333.62  999.542   0.0000   0.0000  1333.62  999.542  ?   ?    54.174   18.704 0.000000 18.70384 
1 1 1   59   31    7 o   56.595   26.877 -1043.4880  3344.64   0.0000   0.0000 -1043.4880  3344.64  ?   ?    56.595   26.877 0.000000 26.87690 
1 1 1   59   31    8 o   55.616   26.456 -880.7665  3267.38   0.0000   0.0000 -880.7665  3267.38  ?   ?    55.616   26.456 0.000000 26.45642 
1 1 1   59   33    0 o   78.655   26.670  3550.47  2030.33   0.0000   0.0000  3550.47  2030.33  ?   ?    78.655   26.670 0.000000 26.66988 
1 1 1   59   33    1 o   38.461   17.564 -390.0660  1221.52   0.0000   0.0000 -390.0660  1221.52  ?   ?    38.461   17.564 0.000000 17.56433 
1 1 1   59   33    2 o   43.880   19.621 -23.1873  1432.87   0.0000   0.0000 -23.1873  1432.87  ?   ?    43.880   19.621 0.000000 19.62134 
1 1 1   59   33    3 o   72.057   34.593  2060.25  5867.13   0.0000   0.0000  2060.25  5867.13  ?   ?    72.057   34.593 0.000000 34.59324 
1 1 1   59   33    4 o   64.746   31.342 -110.3732  5061.20   0.0000   0.0000 -110.3732  5061.20  ?   ?    64.746   31.342 0.000000 31.34178 
1 1 1   59   33    5 o   81.088   35.955  5878.88  4708.25   0.0000   0.0000  5878.88  4708.25  ?   ?    81.088   35.955 0.000000 35.95520 
1 1 1   60    0    0 o  184.547   20.441 14409.38  2966.99   0.0000   0.0000 14409.38  2966.99  184.547   20.441  184.547   20.441 0.000000 0.000000 
1 1 1   60    0    1 o  165.204   19.089 11574.91  2471.58   0.0000   0.0000 11574.91  2471.58  165.204   19.089  165.204   19.089 0.000000 0.000000 
1 1 1   60    0    2 o  388.425   30.238 63227.75  9403.88   0.0000   0.0000 63227.75  9403.88  388.425   30.238  388.425   30.238 0.000000 0.000000 
1 1 1   60    0    3 o  215.216   19.914 19403.29  3411.46   0.0000   0.0000 19403.29  3411.46  215.216   19.914  215.216   19.914 0.000000 0.000000 
1 1 1   60    0    4 o  194.882   18.595 15927.34  2880.94   0.0000   0.0000 15927.34  2880.94  194.882   18.595  194.882   18.595 0.000000 0.000000 
1 1 1   60    0    5 o  223.174   19.677 20833.50  3501.96   0.0000   0.0000 20833.50  3501.96  223.174   19.677  223.174   19.677 0.000000 0.000000 
1 1 1   60    0    6 o   99.877   13.905  4293.79  1065.17  4550.88  2159.99  4211.18  1224.41   92.026   32.001   97.459   17.029 0.000000 0.000000 
1 1 1   60    0    7 o  204.784   14.212 17351.02  2337.07 20053.00  4031.46 15983.36  2868.19  217.160   23.567  195.075   18.490 0.000000 0.000000 
1 1 1   60    0    8 o  648.788   33.130 177542.50 17349.04 182787.30 25262.60 172861.09 23867.30  644.444   48.927  627.910   47.436 0.000000 0.000000 
1 1 1   60    0    9 o  497.233   28.462 104285.30 11404.85 91572.31 16853.86 115024.10 15490.10  450.777   47.234  515.597   37.455 0.000000 0.000000 
1 1 1   60    0   10 o   45.164   27.545  813.729  1906.99  813.729  1906.99   0.0000   0.0000   45.164   27.545   45.164   27.545 0.000000 0.000000 
1 1 1   60    0   11 o  332.481   19.569 46337.03  5241.00 47512.68  8191.70 45522.29  6819.36  328.839   31.333  325.486   26.193 0.000000 0.000000 
1 1 1   60    0   12 o  613.937   35.186 167648.20 17408.39 156748.50 25410.71 177288.30 23897.29  554.331   57.902  607.090   49.224 0.000000 0.000000 
1 1 1   60    0   13 f  117.250   15.824  5983.97  1429.30  7505.97  3061.12  5559.65  1616.31  117.562   36.592  110.619   19.913 0.000000 0.000000 
1 1 1   60    0   14 o   69.662   22.944  2599.74  1152.19  1905.76  2825.76  2738.12  1261.84   57.596   34.331   70.672   24.407 0.000000 0.000000 
1 1 1   60    0   15 o   37.340   21.442  788.866  1036.07 -3317.7671  2527.16  1618.55  1135.92   31.214   22.278   50.576   24.140 0.000000 0.000000 
1 1 1   60    0   16 o  163.814   16.897 11669.03  2192.77 13108.66  4609.53 11247.97  2492.91  150.359   43.514  158.516   20.276 0.000000 0.000000 
1 1 1   60    0   17 o   32.010   19.638  438.004  982.272 -2353.4729  3306.95  708.125  1028.70   39.059   27.401   35.678   20.971 0.000000 0.000000 
1 1 1   60    0   18 o   25.936   17.717 -540.5198  1168.01  7161.98  3662.37 -1412.6530  1232.36   93.765   43.478   22.596   16.023 0.000000 0.000000 
1 1 1   60    0   19 o   28.326   19.292 -447.5009  1362.72  1475.22  4158.07 -678.8609  1442.38   51.484   34.667   27.970   19.257 0.000000 0.000000 
1 1 1   60    2    0 o  378.932   20.913 59138.89  6409.65 61718.75  8999.17 56482.58  9131.51  384.637   29.028  367.202   30.914 17.43509 42.40690 
1 1 1   60    2    1 o  396.757   21.447 64858.78  6883.61 69319.64  9676.13 60287.87  9794.76  407.631   29.432  379.023   32.129 28.60852 43.57225 
1 1 1   60    2    2 o  160.799   12.175 10597.76  1577.78  8889.82  2149.67 12592.29  2323.04  146.185   18.526  174.718   16.573 -28.53304 24.85754 
1 1 1   60    2    3 f  388.801   20.479 62225.56  6442.16 60542.56  8996.24 63996.94  9229.42  380.762   29.324  391.562   29.240 -10.80069 41.41120 
1 1 1   60    2    4 o  400.792   15.898 65668.48  5173.72 66779.00  7266.69 64526.80  7367.85  402.221   22.338  395.145   23.064 7.076202 32.10831 
1 1 1   60    2    5 o  474.399   17.751 92193.12  6837.72 91465.61  9626.15 92934.04  9714.45  469.708   25.334  473.464   25.361 -3.756439 35.84676 
1 1 1   60    2    6 f  179.838   10.452 13217.90  1519.59 13423.49  1933.35 12885.59  2457.95  180.875   13.257  176.517   17.375 4.357498 21.85427 
1 1 1   60    2    7 o  221.773   10.407 20040.38  1874.07 19779.73  2614.76 20315.71  2687.41  219.439   14.761  222.369   14.971 -2.929764 21.02430 
1 1 1   60    2    8 o  273.130   11.920 30454.81  2643.56 29290.90  3727.56 31632.57  3749.65  266.500   17.320  277.128   16.742 -10.62784 24.08932 
1 1 1   60    2    9 o  127.862   9.2002  6698.59  948.778  6876.22  1325.01  6511.67  1359.19  129.010   12.819  125.376   13.568 3.634407 18.66569 
1 1 1   60    2   10 o  164.658   9.7447 11108.22  1297.03 10728.38  1844.53 11479.74  1824.20  160.967   14.260  166.693   13.596 -5.725998 19.70302 
1 1 1   60    2   11 o  155.825   10.149  9972.78  1277.09  9970.58  1804.39  9974.99  1807.77  154.882   14.517  154.911   14.542 -0.2835083E-01 20.54835 
1 1 1   60    2   12 o   72.404   11.956  2208.81  678.362  2724.88  957.387  1688.49  961.323   79.866   15.321   62.841   17.949 17.02497 23.59820 
1 1 1   60    2   13 o  189.842   10.864 14846.39  1667.75 14351.31  2360.70 15339.68  2356.42  185.133   15.857  191.651   15.269 -6.518066 22.01383 
1 1 1   60    2   14 o  249.154   11.853 25600.27  2397.91 25481.31  3393.94 25718.85  3388.39  245.986   17.099  247.193   16.985 -1.206711 24.10084 
1 1 1   60    2   15 o  190.919   11.312 15096.13  1745.75 14501.66  2490.73 15670.17  2447.56  184.945   16.768  192.764   15.776 -7.818924 23.02291 
1 1 1   60    2   16 o   79.779   14.643  2746.00  913.569  2219.61  1282.85  3287.64  1301.31   70.771   20.888   86.049   19.121 -15.27834 28.31865 
1 1 1   60    2   17 o   83.910   15.197  3063.84  997.287  3636.75  1392.68  2460.87  1428.77   89.897   19.630   73.687   22.114 16.21085 29.56958 
1 1 1   60    2   18 o   71.792   16.412  2306.34  935.852  3807.54  1350.49  919.445  1298.06   91.672   18.775   53.113   20.765 38.55933 27.99396 
1 1 1   60    2   19 o   55.325   18.003  1359.55  927.190  1316.10  1206.18  1422.31  1449.63   56.186   20.431   59.034   22.228 -2.848213 30.19142 
1 1 1   60    4    0 o  111.128   12.787  5101.44  1132.72  4511.71  1457.94  5999.50  1799.15  103.509   18.001  119.516   19.189 -16.00677 26.31038 
1 1 1   60    4    1 o  255.727   15.280 26809.88  3158.19 24394.93  4302.19 29632.14  4650.87  242.582   22.084  267.657   21.584 -25.07483 30.87955 
1 1 1   60    4    2 o  453.270   23.939 84926.13  8779.15 89895.45 12211.72 79610.55 12630.02  462.866   32.703  433.874   36.181 28.99164 48.77041 
1 1 1   60    4    3 o  418.124   21.293 72039.92  7205.26 67178.49  9965.11 77365.87 10430.35  400.472   30.884  430.264   30.044 -29.79214 43.08706 
1 1 1   60    4    4 o  163.278   10.134 10896.29  1336.90 10690.52  1639.68 11304.39  2309.07  161.425   12.610  165.257   17.473 -3.831909 21.54823 
1 1 1   60    4    5 o  252.910   11.082 26061.93  2275.79 25540.53  3141.48 26637.76  3301.37  249.452   15.588  254.694   16.046 -5.241409 22.37090 
1 1 1   60    4    6 o  927.941   30.674 359934.50 23111.78 364096.91 32640.30 355749.09 32729.87  919.764   43.706  908.364   44.376 11.40039 62.28491 
1 1 1   60    4    7 o  290.148   15.694 34571.27  3683.72 35595.90  4362.20 32024.31  6877.56  293.816   18.377  274.550   31.417 19.26605 36.39709 
1 1 1   60    4    8 o  236.490   10.932 22817.63  2099.28 22709.28  2943.03 22929.85  2995.33  234.848   15.521  235.947   15.725 -1.099609 22.09479 
1 1 1   60    4    9 o  217.289   10.488 19276.19  1850.46 18184.23  2610.09 20379.69  2623.86  209.818   15.429  222.374   14.613 -12.55640 21.25071 
1 1 1   60    4   10 o  158.445   10.026 10297.03  1283.24 10700.40  1800.31  9880.42  1829.58  160.786   13.927  154.264   14.788 6.521713 20.31388 
1 1 1   60    4   11 o   45.667   16.153  756.776  748.216  4039.74  2421.09  410.126  786.727   95.952   28.785   41.006   16.126 54.94564 32.99400 
1 1 1   60    4   12 o  269.640   12.659 29928.12  2771.52 28926.60  3939.36 30909.73  3899.99  262.412   18.609  271.691   17.777 -9.278778 25.73548 
1 1 1   60    4   13 o   74.772   12.486  2364.27  731.319  2839.48  1014.58  1850.36  1055.09   81.284   15.942   65.539   18.830 15.74464 24.67222 
1 1 1   60    4   14 o   23.669   11.257 -737.2354  590.777 -411.3603  873.724 -1011.7100  801.863   33.636   15.158   27.428   13.064 6.208208 20.01081 
1 1 1   60    4   15 o  109.065   11.491  4966.22  1002.28  5824.63  1401.14  4066.67  1434.33  117.126   15.084   96.281   19.022 20.84521 24.27639 
1 1 1   60    4   16 o  123.301   12.001  6369.60  1186.28  5943.40  1651.56  6823.83  1705.03  116.866   17.981  125.732   17.148 -8.866325 24.84722 
1 1 1   60    4   17 o  110.649   12.689  5187.19  1119.44  5237.32  1493.02  5122.84  1691.81  109.269   17.412  106.710   20.267 2.558884 26.71957 
1 1 1   60    4   18 o   31.440   13.996 -211.7765  720.254  916.407  874.503 -2590.9961  1269.96   48.537   17.432   29.586   14.604 18.95026 22.74117 
1 1 1   60    4   19 o   42.039   16.248  575.778  787.734 -171.9977  1023.78  1660.94  1233.30   37.786   16.760   60.686   20.785 -22.89943 26.70043 
1 1 1   60    6    0 o  396.314   31.797 65969.95 10145.88   0.0000   0.0000 65969.95 10145.88  ?   ?   396.314   31.797 0.000000 31.79685 
1 1 1   60    6    1 o  283.435   18.490 33063.81  4232.08 41824.00  5571.88 21119.00  6506.31  318.158   21.698  221.012   37.603 97.14642 43.41394 
1 1 1   60    6    2 o  145.625   19.938  8862.13  2295.59   0.0000   0.0000  8862.13  2295.59  ?   ?   145.625   19.938 0.000000 19.93786 
1 1 1   60    6    3 o  372.553   19.622 57123.83  5914.76 56215.14  8093.20 58165.59  8665.56  367.243   27.337  373.053   28.832 -5.809357 39.73140 
1 1 1   60    6    4 f  283.308   13.364 32757.53  3074.15 32025.48  3783.46 34179.79  5273.64  279.216   16.766  287.095   22.811 -7.879028 28.30956 
1 1 1   60    6    5 o  327.002   13.917 43671.80  3695.16 43298.96  4352.96 44633.41  6990.73  324.790   16.561  327.018   26.557 -2.227600 31.29778 
1 1 1   60    6    6 o   61.125   10.551  1565.63  504.724  1346.44  630.767  1955.77  841.534   56.301   13.885   67.795   15.610 -11.49344 20.89182 
1 1 1   60    6    7 o  431.937   17.379 76609.56  6095.21 80060.81  8580.40 73093.98  8660.02  438.625   24.186  418.427   25.613 20.19769 35.22726 
1 1 1   60    6    8 o  350.605   16.284 50502.41  4635.69 51028.65  5776.89 49550.71  7768.70  350.700   20.375  342.229   28.208 8.470337 34.79734 
1 1 1   60    6    9 o  213.924   10.328 18689.93  1794.05 17677.32  2521.56 19727.99  2553.07  206.820   15.120  218.704   14.459 -11.88441 20.92066 
1 1 1   60    6   10 o  220.869   10.465 19951.99  1876.74 18182.22  2647.24 21740.26  2661.04  209.329   15.689  229.380   14.360 -20.05095 21.26856 
1 1 1   60    6   11 f  201.286   10.384 16632.46  1691.38 15436.43  2381.09 17850.61  2403.01  192.624   15.351  207.529   14.349 -14.90465 21.01314 
1 1 1   60    6   12 f  128.125   13.339  6841.85  1367.32  8837.06  3646.89  6515.51  1474.91  138.403   32.930  124.607   14.871 13.79643 36.13199 
1 1 1   60    6   13 o  168.830   10.273 11741.37  1401.55 10305.37  1970.07 13212.93  1994.32  156.594   15.706  178.106   13.901 -21.51167 20.97377 
1 1 1   60    6   14 o   78.537   12.367  2608.34  762.571  3393.88  1007.02  1552.32  1167.58   89.287   14.379   61.318   20.215 27.96889 24.80699 
1 1 1   60    6   15 o  110.146   10.874  5053.37  959.846  4668.92  1285.41  5537.94  1443.09  104.428   15.641  113.750   16.072 -9.322464 22.42649 
1 1 1   60    6   16 o  102.286   11.449  4390.99  934.590  3344.92  1217.21  5893.41  1458.76   87.080   17.815  117.166   15.731 -30.08609 23.76661 
1 1 1   60    6   17 o  107.333   11.908  4867.06  1020.26  4462.41  1327.35  5451.32  1594.98  100.825   16.805  110.919   18.351 -10.09454 24.88334 
1 1 1   60    6   18 o  110.124   12.599  5185.48  1106.30  4547.15  1408.96  6211.73  1786.49  100.527   17.918  116.884   19.512 -16.35651 26.49105 
1 1 1   60    6   19 o   47.674   16.574  949.357  785.520  1212.01  991.572  506.763  1287.18   53.139   18.613   47.789   19.936 5.349979 27.27435 
1 1 1   60    8    4 o  177.747   15.863 13028.42  2265.34 15121.92  3808.48 11882.19  2818.06  189.502   25.390  168.657   21.036 20.84552 32.97166 
1 1 1   60    8    5 o  382.508   14.940 59844.03  4640.09 60344.36  6421.59 59297.39  6712.20  382.246   20.768  378.537   21.932 3.708801 30.20487 
1 1 1   60    8    6 o  102.570   8.5076  4311.79  702.142  3132.29  878.620  6396.24  1168.01   86.646   12.880  124.668   11.675 -38.02207 17.38395 
1 1 1   60    8    7 o  240.401   12.215 23671.08  2376.43 27783.54  3300.42 19243.42  3424.56  259.781   15.721  215.059   19.835 44.72215 25.30946 
1 1 1   60    8    8 o  179.356   9.4595 13156.05  1372.73 12077.76  1872.52 14408.83  2018.34  171.146   13.587  187.067   13.376 -15.92120 19.06611 
1 1 1   60    8    9 o  254.654   12.671 26591.53  2620.00 25254.46  3255.02 29051.67  4415.26  246.848   16.332  263.204   20.830 -16.35637 26.46937 
1 1 1   60    8   10 o   60.507   10.737  1542.80  508.169  1449.05  616.729  1741.03  896.832   58.224   13.332   63.699   17.017 -5.475243 21.61766 
1 1 1   60    8   11 o   79.399   10.053  2621.42  633.610  2423.39  795.090  2966.02  1048.84   75.600   13.445   83.224   16.103 -7.624741 20.97828 
1 1 1   60    8   12 o  160.445   10.099 10594.93  1308.99 10599.97  1818.56 10589.51  1885.64  159.438   14.196  159.192   14.756 0.2454071 20.47592 
1 1 1   60    8   13 o   71.342   12.140  2155.70  678.032  2226.76  878.939  2051.25  1065.54   71.793   15.529   68.619   18.641 3.174232 24.26173 
1 1 1   60    8   14 o   51.197   15.005  1116.03  664.028   64.592  878.376  2518.32  1014.40   38.285   16.248   75.991   16.879 -37.70510 23.42910 
1 1 1   60    8   15 o  153.691   10.628  9795.83  1318.09 10041.79  1793.14  9506.70  1944.14  154.252   14.486  149.305   16.302 4.947525 21.80824 
1 1 1   60    8   16 o  108.815   41.476  6136.02  5085.39  7793.43 10473.92  5624.78  5817.06  119.657   53.310  106.898   43.236 12.75927 68.63915 
1 1 1   60    8   17 o  145.452   11.241  8877.76  1317.31  8514.21  1759.42  9341.57  1987.24  140.294   15.715  146.248   17.055 -5.954147 23.19156 
1 1 1   60    8   18 o  122.218   11.504  6339.48  1128.16  5764.31  1431.87  7281.02  1831.97  114.322   15.852  127.138   18.271 -12.81613 24.18934 
1 1 1   60    8   19 o   67.334   16.944  2104.42  925.650  2254.70  1105.56  1752.07  1692.88   68.859   19.103   62.976   23.948 5.882957 30.63362 
1 1 1   60   10    0 o  407.133   33.141 70107.16 10860.52   0.0000   0.0000 70107.16 10860.52  ?   ?   407.133   33.141 0.000000 33.14067 
1 1 1   60   10    1 o  317.129   27.620 42127.94  7041.10   0.0000   0.0000 42127.94  7041.10  ?   ?   317.129   27.620 0.000000 27.62002 
1 1 1   60   10    2 o  398.787   32.027 67098.28 10283.03   0.0000   0.0000 67098.28 10283.03  ?   ?   398.787   32.027 0.000000 32.02732 
1 1 1   60   10    3 o  186.596   21.817 14544.55  3243.16   0.0000   0.0000 14544.55  3243.16  ?   ?   186.596   21.817 0.000000 21.81750 
1 1 1   60   10    4 o  299.495   19.231 37030.96  4651.83 39871.31  7226.24 35020.96  6078.90  307.547   29.291  289.171   26.174 18.37650 39.28170 
1 1 1   60   10    5 o  522.018   27.189 113994.90 11484.47 128644.80 16874.66 101354.50 15674.63  546.921   38.240  483.712   40.275 63.20844 55.53700 
1 1 1   60   10    6 o  433.400   15.261 77011.64  5370.37 80938.81  7459.95 72787.00  7737.33  442.474   20.764  418.222   22.872 24.25226 30.89091 
1 1 1   60   10    7 o  526.049   19.647 114518.80  8391.74 119894.50 11805.25 109027.80 11931.17  532.898   27.375  506.841   29.114 26.05774 39.96293 
1 1 1   60   10    8 o   27.850   9.6362  284.984  265.375  227.324  287.673  614.263  687.453   26.839   9.9418   42.499   15.429 -15.66036 18.35460 
1 1 1   60   10    9 o  186.273   9.1470 14170.48  1383.45 12212.58  1860.09 16594.36  2069.64  171.835   13.439  200.622   12.772 -28.78612 18.53941 
1 1 1   60   10   10 o  212.614   9.4888 18487.44  1638.11 15169.50  2238.28 22314.34  2403.84  191.133   14.531  232.558   12.779 -41.42516 19.35119 
1 1 1   60   10   11 o  261.618   11.968 28156.06  2542.38 27746.97  3585.35 28569.81  3605.68  257.369   17.257  261.249   17.092 -3.879944 24.28853 
1 1 1   60   10   12 o   56.176   11.681  1346.40  515.416  1143.55  612.232  1840.01  955.024   51.704   14.165   65.163   17.625 -13.45862 22.61132 
1 1 1   60   10   13 o  171.782   13.718 12322.38  1897.42 17607.79  4952.56 11413.13  2054.15  194.649   32.480  164.632   15.551 30.01704 36.01112 
1 1 1   60   10   14 o  281.440   13.346 32949.91  3049.88 33692.85  4340.81 32225.59  4286.08  280.478   19.175  274.125   19.381 6.352692 27.26405 
1 1 1   60   10   15 o  110.659   10.655  5107.04  945.517  5351.23  1198.01  4703.67  1539.73  112.462   13.382  103.249   19.069 9.213120 23.29587 
1 1 1   60   10   16 o   82.222   12.088  2877.59  782.909  1986.50  951.090  4750.49  1378.86   66.772   17.375  104.195   16.875 -37.42327 24.22126 
1 1 1   60   10   17 o  142.285   11.230  8519.86  1286.89  8218.34  1665.92  8966.03  2026.48  137.782   15.141  142.265   17.942 -4.482925 23.47682 
1 1 1   60   10   18 o   51.983   15.673  1202.04  716.425  1535.14  826.685  197.203  1435.83   58.159   16.655   47.279   20.430 10.88042 26.35909 
1 1 1   60   12    0 o  629.045   49.331 175478.59 24994.54   0.0000   0.0000 175478.59 24994.54  ?   ?   629.045   49.331 0.000000 49.33108 
1 1 1   60   12    1 o  359.448   30.551 54559.96  8832.10   0.0000   0.0000 54559.96  8832.10  ?   ?   359.448   30.551 0.000000 30.55100 
1 1 1   60   12    2 o  188.215   22.700 14850.98  3399.14   0.0000   0.0000 14850.98  3399.14  ?   ?   188.215   22.700 0.000000 22.70036 
1 1 1   60   12    3 o  473.801   37.238 96423.93 14210.33   0.0000   0.0000 96423.93 14210.33  ?   ?   473.801   37.238 0.000000 37.23778 
1 1 1   60   12    4 o  388.892   22.787 62893.93  7163.97 67311.66 10845.37 59474.17  9542.07  396.731   33.996  374.004   31.721 22.72745 46.49632 
1 1 1   60   12    5 o  213.575   17.587 18897.41  3022.80 20757.65  5038.80 17851.55  3778.16  220.378   28.852  206.082   22.970 14.29655 36.87881 
1 1 1   60   12    6 o  212.105   17.835 18689.93  3043.14 19119.40  5259.62 18473.82  3731.06  209.546   31.921  209.551   22.270 -0.5325317E-02 38.92169 
1 1 1   60   12    7 o  296.864   16.512 36479.13  3964.26 39595.98  7766.30 35380.86  4610.09  301.527   32.220  291.204   19.611 10.32309 37.71915 
1 1 1   60   12    8 o   97.998   14.851  4044.83  1144.71  8722.67  3206.84  3361.74  1225.44  140.150   29.131   88.538   17.665 51.61184 34.06871 
1 1 1   60   12    9 o  217.624   9.7942 19377.14  1730.67 18664.27  2337.65 20241.82  2574.54  212.401   13.626  220.984   14.427 -8.583206 19.84515 
1 1 1   60   12   10 o  190.189   10.562 14878.79  1624.67 13307.54  1950.15 18443.32  2937.28  179.081   13.511  209.601   17.417 -30.51924 22.04292 
1 1 1   60   12   11 o  136.934   8.7152  7702.11  963.971  7295.20  1213.64  8397.58  1586.65  132.704   11.373  141.767   13.965 -9.062531 18.01040 
1 1 1   60   12   12 o   87.027   9.1450  3137.66  636.550  2711.15  740.852  4340.58  1244.19   80.284   11.709  100.882   15.700 -20.59815 19.58551 
1 1 1   60   12   13 o  357.947   18.773 54559.93  5437.14 54056.66 11214.11 54714.60  6216.73  325.758   43.482  355.775   21.623 -30.01627 48.56175 
1 1 1   60   12   14 o  169.850   10.043 11931.94  1378.91 10844.13  1822.05 13390.08  2109.52  160.445   14.130  178.143   14.716 -17.69798 20.40145 
1 1 1   60   12   15 f   45.915   12.881  906.802  499.719  859.446  552.429  1120.03  1172.24   45.097   13.799   54.855   20.112 -9.758762 24.39043 
1 1 1   60   12   16 f   34.377   15.240 -211.8901  845.469 -117.3283  892.856 -1032.4740  2630.18   36.273   15.886   55.676   25.555 -19.40300 30.09042 
1 1 1   60   12   17 o  102.835   10.656  4469.81  876.852  4488.24  1032.18  4422.02  1662.09  102.219   12.711   96.774   21.689 5.445267 25.13923 
1 1 1   60   12   18 o   56.778   13.135  1437.40  593.506  1338.64  674.490  1776.17  1249.23   54.423   14.850   61.902   20.920 -7.479294 25.65505 
1 1 1   60   14    0 o  206.633   25.653 18058.96  4211.44   0.0000   0.0000 18058.96  4211.44  ?   ?   206.633   25.653 0.000000 25.65294 
1 1 1   60   14    1 o  193.754   24.878 15872.36  3823.49   0.0000   0.0000 15872.36  3823.49  ?   ?   193.754   24.878 0.000000 24.87833 
1 1 1   60   14    2 o  221.452   24.352 20648.69  4306.46   0.0000   0.0000 20648.69  4306.46  ?   ?   221.452   24.352 0.000000 24.35209 
1 1 1   60   14    3 o  318.149   28.142 42887.26  7194.84   0.0000   0.0000 42887.26  7194.84  ?   ?   318.149   28.142 0.000000 28.14203 
1 1 1   60   14    4 o  319.247   21.100 42479.49  5438.76 44017.91  8535.61 41427.95  7056.81  318.927   33.460  312.137   28.146 6.789978 43.72389 
1 1 1   60   14    5 o  324.264   20.753 43902.01  5435.42 50328.01  8536.00 39519.46  7049.31  341.593   31.117  303.642   28.942 37.95114 42.49622 
1 1 1   60   14    6 o  232.560   18.467 22575.55  3458.50 24600.20  5871.50 21499.87  4279.75  237.089   31.262  224.901   23.798 12.18773 39.28951 
1 1 1   60   14    7 o  249.725   19.208 26150.39  3864.86 24770.32  6523.08 26896.92  4797.63  234.501   35.357  251.186   23.807 -16.68513 42.62528 
1 1 1   60   14    8 o  167.405   14.049 11641.67  1892.03 15042.09  4650.98 10967.36  2071.15  182.496   32.583  161.916   15.961 20.58028 36.28206 
1 1 1   60   14    9 o  438.935   20.340 81210.25  7249.05 99024.07 13910.24 74568.74  8493.56  464.097   37.227  415.834   25.275 48.26285 44.99658 
1 1 1   60   14   10 o  280.598   16.204 32928.55  3676.22 31337.03  7720.28 33395.23  4180.61  257.776   38.027  281.408   18.398 -23.63245 42.24398 
1 1 1   60   14   11 o   58.135   18.495  1410.64  982.428  2780.82  3039.63  1250.81  1038.15   85.370   32.179   56.099   19.070 29.27071 37.40543 
1 1 1   60   14   12 o   53.532   9.1522  1208.00  383.517  1348.60  409.348  198.239  1097.01   56.619   9.2216   43.749   18.340 12.86974 20.52756 
1 1 1   60   14   13 o  158.413   9.7316 10367.75  1245.68 10433.73  1606.64 10268.33  1972.40  157.991   12.630  155.463   15.847 2.528412 20.26408 
1 1 1   60   14   14 o   80.254   9.0628  2683.84  580.219  2486.59  650.450  3452.12  1283.72   76.811   10.721   88.199   18.515 -11.38817 21.39535 
1 1 1   60   14   15 o   34.125   11.754  446.571  394.636  247.606  419.816  1957.51  1156.90   30.373   11.827   66.148   19.910 -35.77522 23.15783 
1 1 1   60   14   16 o   69.426   10.236  2047.76  559.695  1627.40  611.185  4231.97  1393.18   61.035   12.744   96.786   18.400 -35.75133 22.38269 
1 1 1   60   14   17 o   28.773   11.109  240.245  367.917  282.022  383.533 -241.6670  1302.62   30.011   11.402   41.947   18.736 -11.93683 21.93285 
1 1 1   60   16    3 o  223.279   24.823 21221.55  4424.06   0.0000   0.0000 21221.55  4424.06  ?   ?   223.279   24.823 0.000000 24.82269 
1 1 1   60   16    4 o   68.474   24.511  1724.81  1727.58   0.0000   0.0000  1724.81  1727.58  ?   ?    68.474   24.511 0.000000 24.51072 
1 1 1   60   16    5 f  193.070   19.303 15686.64  2985.50 15743.96  5310.39 15660.15  3610.02  185.578   36.543  191.210   23.765 -5.632004 43.59038 
1 1 1   60   16    6 o  411.047   25.510 72435.98  8472.17 72624.15 12987.39 72296.58 11178.07  395.593   41.030  401.925   34.589 -6.331207 53.66382 
1 1 1   60   16    7 o  239.107   19.762 24159.36  3802.36 24830.99  6572.42 23821.48  4661.70  232.544   35.969  234.810   24.827 -2.266083 43.70564 
1 1 1   60   16    8 o   60.903   17.474  1588.47  909.200  435.498  3583.00  1667.82  939.966   75.510   32.450   62.326   17.730 13.18380 36.97764 
1 1 1   60   16    9 o  148.657   13.909  9230.99  1659.32 13988.16  4838.84  8597.03  1766.42  171.946   35.821  142.942   15.466 29.00391 39.01746 
1 1 1   60   16   10 o  275.903   16.054 31937.36  3581.04 37369.73  8123.08 30626.92  3989.65  280.994   36.462  268.818   18.389 12.17596 40.83700 
1 1 1   60   16   11 o  176.070   14.941 13036.74  2115.87  9672.49  5887.92 13535.62  2267.33  134.972   45.419  179.090   15.752 -44.11726 48.07281 
1 1 1   60   16   12 o   89.788   17.499  3523.80  1229.92 -227.7113  4838.56  3782.94  1271.69   79.979   35.889   93.123   17.460 -13.14368 39.91068 
1 1 1   60   16   13 o  212.648   16.363 19285.96  2803.67 14258.37  7634.43 20069.71  3014.29  149.718   51.691  216.341   17.304 -66.62315 54.51094 
1 1 1   60   16   14 o   50.529   19.502  817.941  1133.69 -1393.2710  5380.77  920.661  1159.73   76.875   35.731   52.067   19.816 24.80791 40.85785 
1 1 1   60   16   15 o   61.992   21.019  1673.66  1261.07 -3364.9060  6057.73  1901.90  1289.32   73.589   35.281   65.161   21.231 8.427994 41.17672 
1 1 1   60   16   16 o   48.045   19.276  666.310  1146.08  5083.64  6559.30  527.206  1163.98   94.484   42.135   46.790   19.183 47.69410 46.29610 
1 1 1   60   16   17 o   48.514   10.846  1033.18  416.525  1117.31  435.241  117.621  1435.81   50.460   10.938   46.066   20.161 4.394775 22.93684 
1 1 1   60   18    0 o  134.590   30.741  8126.62  3285.77   0.0000   0.0000  8126.62  3285.77  ?   ?   134.590   30.741 0.000000 30.74086 
1 1 1   60   18    1 o  327.396   31.676 47040.35  8315.43   0.0000   0.0000 47040.35  8315.43  ?   ?   327.396   31.676 0.000000 31.67640 
1 1 1   60   18    5 f  390.093   34.706 68918.17 10878.12   0.0000   0.0000 68918.17 10878.12  ?   ?   390.093   34.706 0.000000 34.70628 
1 1 1   60   18    6 o   86.563   26.452  3291.02  2030.81   0.0000   0.0000  3291.02  2030.81  ?   ?    86.563   26.452 0.000000 26.45156 
1 1 1   60   18    7 o   54.642   22.434  533.213  1594.73   0.0000   0.0000  533.213  1594.73  ?   ?    54.642   22.434 0.000000 22.43443 
1 1 1   60   18    8 o  154.090   14.780  9961.33  1826.51 10409.55  5363.97  9902.54  1942.60  143.184   42.821  153.268   15.838 -10.08351 45.65575 
1 1 1   60   18    9 o  331.051   17.414 46272.96  4664.50 58698.35 10291.27 43060.39  5232.87  351.265   36.621  317.038   20.437 34.22681 41.93738 
1 1 1   60   18   10 f  292.775   16.720 36224.33  3958.31 41908.00  9338.65 34979.57  4370.32  289.112   40.924  286.121   18.918 2.991974 45.08566 
1 1 1   60   18   11 o   80.728   19.100  2894.65  1232.43  5481.54  5120.33  2735.57  1269.75  107.660   41.476   78.299   19.923 29.36134 46.01282 
1 1 1   60   18   12 f  109.277   17.149  5194.62  1471.51  5061.10  5846.73  5203.65  1520.45  105.053   43.024  109.114   17.773 -4.061256 46.55014 
1 1 1   60   18   13 o   75.363   21.854  2595.26  1415.31  3154.84  6013.66  2562.44  1456.22   95.053   41.438   74.902   22.291 20.15081 47.05355 
1 1 1   60   18   14 o  103.539   20.876  4927.51  1694.50 16556.76  6964.81  4195.84  1746.99  154.701   49.247   94.260   23.024 60.44160 54.36290 
1 1 1   60   18   15 o  106.396   19.112  5185.12  1590.39 -1240.2380  7662.58  5474.37  1625.79   81.720   39.310  109.468   18.979 -27.74861 43.65162 
1 1 1   60   18   16 o   67.993   22.747  2235.84  1476.76   0.0000   0.0000  2235.84  1476.76  ?   ?    67.993   22.747 0.000000 22.74687 
1 1 1   60   20    0 o  177.904   29.143 14164.02  4063.95   0.0000   0.0000 14164.02  4063.95  ?   ?   177.904   29.143 0.000000 29.14286 
1 1 1   60   20    1 o  177.125   28.139 13964.47  3911.66   0.0000   0.0000 13964.47  3911.66  ?   ?   177.125   28.139 0.000000 28.13944 
1 1 1   60   20    2 o  109.115   28.235  5400.84  2520.69   0.0000   0.0000  5400.84  2520.69  ?   ?   109.115   28.235 0.000000 28.23472 
1 1 1   60   20    3 o  127.977   28.464  7431.02  2881.32   0.0000   0.0000  7431.02  2881.32  ?   ?   127.977   28.464 0.000000 28.46375 
1 1 1   60   20    5 o  107.213   40.975  4817.81  4971.68  4817.81  4971.68   0.0000   0.0000  107.213   40.975  ?   ?  0.000000 40.97532 
1 1 1   60   20    6 o  ?   ?  -10738.0596  2769.08 -10738.0596  2769.08   0.0000   0.0000  ?   ?   ?   ?  0.000000      ? 
1 1 1   60   20    7 o  118.000   27.699  6402.94  2608.39   0.0000   0.0000  6402.94  2608.39  ?   ?   118.000   27.699 0.000000 27.69876 
1 1 1   60   20    8 o  107.645   16.764  4982.03  1417.52   0.0000   0.0000  4982.03  1417.52  ?   ?   107.645   16.764 0.000000 16.76370 
1 1 1   60   20    9 o   69.556   18.779  2135.09  1085.33   0.0000   0.0000  2135.09  1085.33  ?   ?    69.556   18.779 0.000000 18.77861 
1 1 1   60   20   10 o  157.341   15.438 10522.19  1946.95  6395.62  6768.35 10894.45  2032.87  113.867   46.422  159.926   15.864 -46.05910 49.05817 
1 1 1   60   20   11 o   96.444   18.843  4131.63  1422.64  1628.67  5329.73  4323.64  1476.20   87.944   38.657   98.594   19.130 -10.64997 43.13098 
1 1 1   60   20   12 o  159.348   16.645 10991.19  2121.88 10123.96  7721.50 11062.03  2206.84  123.464   49.856  159.462   17.323 -35.99890 52.78006 
1 1 1   60   20   13 o  172.468   17.142 13028.57  2368.74 16398.68  8549.90 12748.39  2465.24  141.243   53.793  169.850   18.157 -28.60753 56.77447 
1 1 1   60   20   14 o   31.106   15.110 -1851.6010  1203.55 -24223.6406  7169.21 -1202.8070  1220.88   52.688   26.967   34.592   16.373 18.09582 31.54776 
1 1 1   60   20   15 o  112.820   21.633  6134.15  1909.63   0.0000   0.0000  6134.15  1909.63  ?   ?   112.820   21.633 0.000000 21.63330 
1 1 1   60   22    0 o  116.667   32.568  6446.63  3202.90   0.0000   0.0000  6446.63  3202.90  ?   ?   116.667   32.568 0.000000 32.56773 
1 1 1   60   22    1 o  164.703   30.449 12509.84  3922.02   0.0000   0.0000 12509.84  3922.02  ?   ?   164.703   30.449 0.000000 30.44867 
1 1 1   60   22    2 o  258.929   30.348 30530.05  6259.46   0.0000   0.0000 30530.05  6259.46  ?   ?   258.929   30.348 0.000000 30.34830 
1 1 1   60   22    3 o  200.948   28.146 18240.00  4466.41   0.0000   0.0000 18240.00  4466.41  ?   ?   200.948   28.146 0.000000 28.14615 
1 1 1   60   22    4 o  148.940   28.151 10152.74  3279.74   0.0000   0.0000 10152.74  3279.74  ?   ?   148.940   28.151 0.000000 28.15149 
1 1 1   60   22    5 o  114.104   30.301  6141.11  2854.51   0.0000   0.0000  6141.11  2854.51  ?   ?   114.104   30.301 0.000000 30.30061 
1 1 1   60   22    6 o  196.951   24.129 17215.09  3777.90 16229.97  7665.51 17531.14  4341.83  166.318   51.486  195.940   28.094 -29.62181 58.65247 
1 1 1   60   22    7 o  141.281   49.548 11635.57  7027.53 11635.57  7027.53   0.0000   0.0000  141.281   49.548  ?   ?  0.000000 49.54776 
1 1 1   60   22    8 o   16.107   8.0633 -1242.4880  445.765  4586.73  4505.97 -1300.1010  447.963  100.472   38.851   15.904   7.9793 84.56718 39.66233 
1 1 1   60   22    9 o   62.159   18.633  1692.81  1014.79   0.0000   0.0000  1692.81  1014.79  ?   ?    62.159   18.633 0.000000 18.63310 
1 1 1   60   22   10 o   51.877   18.302  1058.16  959.889   0.0000   0.0000  1058.16  959.889  ?   ?    51.877   18.302 0.000000 18.30208 
1 1 1   60   22   11 o  129.241   15.605  7228.48  1604.38 21738.98  6788.41  6370.01  1651.16  191.573   44.493  120.333   17.405 71.24018 47.77609 
1 1 1   60   22   12 o  111.175   19.230  5601.73  1673.09  519.255  7084.69  5901.91  1721.79   86.064   40.328  114.155   19.261 -28.09014 44.69176 
1 1 1   60   22   13 o  101.330   20.851  4834.35  1658.37 -3422.7351  7457.64  5263.90  1700.96   76.240   37.165  106.092   20.488 -29.85265 42.43772 
1 1 1   60   22   14 o   64.455   22.795  1951.96  1489.84   0.0000   0.0000  1951.96  1489.84  ?   ?    64.455   22.795 0.000000 22.79469 
1 1 1   60   24    0 o  109.017   34.609  5822.54  3441.61   0.0000   0.0000  5822.54  3441.61  ?   ?   109.017   34.609 0.000000 34.60904 
1 1 1   60   24    1 o   79.104   30.295  2372.42  2721.22   0.0000   0.0000  2372.42  2721.22  ?   ?    79.104   30.295 0.000000 30.29510 
1 1 1   60   24    2 o  190.585   30.057 16974.61  4497.08   0.0000   0.0000 16974.61  4497.08  ?   ?   190.585   30.057 0.000000 30.05652 
1 1 1   60   24    3 o  130.339   31.588  8199.88  3307.99   0.0000   0.0000  8199.88  3307.99  ?   ?   130.339   31.588 0.000000 31.58766 
1 1 1   60   24    4 o   86.418   32.968  3053.28  3214.90   0.0000   0.0000  3053.28  3214.90  ?   ?    86.418   32.968 0.000000 32.96842 
1 1 1   60   24    5 o   59.171   25.117  447.331  2099.44   0.0000   0.0000  447.331  2099.44  ?   ?    59.171   25.117 0.000000 25.11676 
1 1 1   60   24    6 o  137.182   30.526  9098.13  3312.54 16857.30  7750.83  7364.19  3664.03  162.982   51.959  120.132   35.257 42.85005 62.79149 
1 1 1   60   24    7 o   69.408   18.085  2147.15  1029.51  7485.29  7116.15  2033.03  1040.45  116.076   47.493   67.555   18.448 48.52134 50.95017 
1 1 1   60   24    8 o   82.516   17.247  3020.21  1118.32  3107.12  7737.89  3018.35  1130.19  100.003   45.085   82.425   17.432 17.57844 48.33715 
1 1 1   60   24    9 o   30.798   13.962 -374.7664  754.044  7178.18  6053.52 -493.8042  759.963  110.596   44.325   29.909   13.731 80.68673 46.40353 
1 1 1   60   24   10 o   96.909   44.880  3250.21  8374.39  3250.21  8374.39   0.0000   0.0000   96.909   44.880  ?   ?  0.000000 44.88001 
1 1 1   60   24   11 o   68.184   20.962  2161.55  1273.11   0.0000   0.0000  2161.55  1273.11  ?   ?    68.184   20.962 0.000000 20.96170 
1 1 1   60   24   12 o  155.102   18.257 10923.95  2255.27   0.0000   0.0000 10923.95  2255.27  ?   ?   155.102   18.257 0.000000 18.25737 
1 1 1   60   24   13 o  156.635   19.083 11451.54  2376.88   0.0000   0.0000 11451.54  2376.88  ?   ?   156.635   19.083 0.000000 19.08324 
1 1 1   60   26    0 o  100.170   35.902  4997.65  3707.70   0.0000   0.0000  4997.65  3707.70  ?   ?   100.170   35.902 0.000000 35.90238 
1 1 1   60   26    1 o  162.997   41.579 14672.12  5520.52   0.0000   0.0000 14672.12  5520.52  ?   ?   162.997   41.579 0.000000 41.57909 
1 1 1   60   26    2 o   99.657   37.104  4883.14  4017.03   0.0000   0.0000  4883.14  4017.03  ?   ?    99.657   37.104 0.000000 37.10421 
1 1 1   60   26    3 o  119.815   36.118  7547.97  3804.97   0.0000   0.0000  7547.97  3804.97  ?   ?   119.815   36.118 0.000000 36.11779 
1 1 1   60   26    4 o  127.754   38.534  8909.33  4330.23   0.0000   0.0000  8909.33  4330.23  ?   ?   127.754   38.534 0.000000 38.53449 
1 1 1   60   26    5 o  103.166   33.059  5430.70  3134.55   0.0000   0.0000  5430.70  3134.55  ?   ?   103.166   33.059 0.000000 33.05853 
1 1 1   60   26    6 o   93.818   34.447  4376.79  3440.66   0.0000   0.0000  4376.79  3440.66  ?   ?    93.818   34.447 0.000000 34.44712 
1 1 1   60   26    7 o   24.661   11.389 -401.4406  533.650  3066.71  8387.93 -415.5356  534.734   97.936   45.201   24.558   11.362 73.37755 46.60671 
1 1 1   60   26    8 o  125.389   15.449  6845.90  1539.61 11413.56  9821.72  6730.84  1558.88  117.458   52.014  124.114   15.829 -6.656227 54.36903 
1 1 1   60   26    9 o  182.462   15.015 14443.84  2204.71 35867.98 11600.92 13641.06  2245.63  185.757   63.744  176.672   15.822 9.085175 65.67783 
1 1 1   60   26   10 o  161.521   15.924 11524.88  2061.31   0.0000   0.0000 11524.88  2061.31  ?   ?   161.521   15.924 0.000000 15.92443 
1 1 1   60   26   11 o   93.177   24.307  4431.34  1858.26   0.0000   0.0000  4431.34  1858.26  ?   ?    93.177   24.307 0.000000 24.30689 
1 1 1   60   26   12 o   63.681   23.507  1953.38  1605.45   0.0000   0.0000  1953.38  1605.45  ?   ?    63.681   23.507 0.000000 23.50674 
1 1 1   60   28    0 o  118.560   11.213  5923.30  1066.65   0.0000   0.0000  5923.30  1066.65  ?   ?   118.560   11.213 0.000000 11.21337 
1 1 1   60   28    1 o  103.414   12.571  4560.59  1033.85   0.0000   0.0000  4560.59  1033.85  ?   ?   103.414   12.571 0.000000 12.57080 
1 1 1   60   28    2 o   96.652   38.594  4868.94  4570.70   0.0000   0.0000  4868.94  4570.70  ?   ?    96.652   38.594 0.000000 38.59378 
1 1 1   60   28    3 o   99.143   38.823  5367.03  4543.10   0.0000   0.0000  5367.03  4543.10  ?   ?    99.143   38.823 0.000000 38.82253 
1 1 1   60   28    4 o  152.887   15.263 10119.65  1869.36   0.0000   0.0000 10119.65  1869.36  ?   ?   152.887   15.263 0.000000 15.26265 
1 1 1   60   28    5 o  135.422   15.265  7977.38  1649.20   0.0000   0.0000  7977.38  1649.20  ?   ?   135.422   15.265 0.000000 15.26466 
1 1 1   60   28    6 o  123.204   14.933  6620.17  1463.35   0.0000   0.0000  6620.17  1463.35  ?   ?   123.204   14.933 0.000000 14.93312 
1 1 1   60   28    7 o   89.521   19.282  3723.79  1360.20   0.0000   0.0000  3723.79  1360.20  ?   ?    89.521   19.282 0.000000 19.28234 
1 1 1   60   28    8 o   71.793   19.831  2448.13  1194.24   0.0000   0.0000  2448.13  1194.24  ?   ?    71.793   19.831 0.000000 19.83076 
1 1 1   60   28    9 o   89.124   33.683  4848.26  3335.95   0.0000   0.0000  4848.26  3335.95  ?   ?    89.124   33.683 0.000000 33.68278 
1 1 1   60   28   10 o   72.033   31.578  2335.73  3535.55   0.0000   0.0000  2335.73  3535.55  ?   ?    72.033   31.578 0.000000 31.57786 
1 1 1   60   30    0 o   77.480   8.5376  2520.11  528.191   0.0000   0.0000  2520.11  528.191  ?   ?    77.480   8.5376 0.000000 8.537554 
1 1 1   60   30    1 o  146.268   11.359  9079.37  1338.46   0.0000   0.0000  9079.37  1338.46  ?   ?   146.268   11.359 0.000000 11.35890 
1 1 1   60   30    2 o   57.287   12.605  1447.54  570.413   0.0000   0.0000  1447.54  570.413  ?   ?    57.287   12.605 0.000000 12.60506 
1 1 1   60   30    3 o   45.763   13.980  914.358  567.276   0.0000   0.0000  914.358  567.276  ?   ?    45.763   13.980 0.000000 13.97959 
1 1 1   60   30    4 f   37.129   14.115  457.754  588.031   0.0000   0.0000  457.754  588.031  ?   ?    37.129   14.115 0.000000 14.11529 
1 1 1   60   30    5 o   79.716   17.196  2934.02  1080.35   0.0000   0.0000  2934.02  1080.35  ?   ?    79.716   17.196 0.000000 17.19611 
1 1 1   60   30    6 o   47.212   17.334  890.950  871.229   0.0000   0.0000  890.950  871.229  ?   ?    47.212   17.334 0.000000 17.33413 
1 1 1   60   30    7 o   33.188   14.917 -243.8052  839.679   0.0000   0.0000 -243.8052  839.679  ?   ?    33.188   14.917 0.000000 14.91709 
1 1 1   60   30    8 o   64.969   29.457  1144.03  3358.11   0.0000   0.0000  1144.03  3358.11  ?   ?    64.969   29.457 0.000000 29.45712 
1 1 1   60   32    0 o   61.272   20.213  1808.31  1167.24   0.0000   0.0000  1808.31  1167.24  ?   ?    61.272   20.213 0.000000 20.21257 
1 1 1   60   32    1 o   67.195   9.9647  1946.53  527.205   0.0000   0.0000  1946.53  527.205  ?   ?    67.195   9.9647 0.000000 9.964743 
1 1 1   60   32    2 o   29.960   11.686  261.803  410.399   0.0000   0.0000  261.803  410.399  ?   ?    29.960   11.686 0.000000 11.68596 
1 1 1   60   32    3 o   13.665   6.8070 -754.9089  300.725   0.0000   0.0000 -754.9089  300.725  ?   ?    13.665   6.8070 0.000000 6.806996 
1 1 1   60   32    4 o   73.284   34.266  2276.38  5068.37   0.0000   0.0000  2276.38  5068.37  ?   ?    73.284   34.266 0.000000 34.26615 
1 1 1   60   32    5 o   88.109   37.345  6562.03  4630.36   0.0000   0.0000  6562.03  4630.36  ?   ?    88.109   37.345 0.000000 37.34485 
1 1 1   60   32    6 o   56.663   27.693 -2311.8960  4217.88   0.0000   0.0000 -2311.8960  4217.88  ?   ?    56.663   27.693 0.000000 27.69312 
1 1 1   60   34    0 o   49.642   25.132 -8261.2090  5036.90   0.0000   0.0000 -8261.2090  5036.90  ?   ?    49.642   25.132 0.000000 25.13190 
1 1 1   60   34    1 o   83.045   40.182 12102.48  8295.49   0.0000   0.0000 12102.48  8295.49  ?   ?    83.045   40.182 0.000000 40.18181 
1 1 1   61    1    0 o  593.038   30.490 146752.41 14632.26 136749.30 20652.48 156834.80 20734.05  563.139   45.557  605.588   42.435 -42.44934 62.25865 
1 1 1   61    1    1 o  277.308   16.565 31561.48  3712.90 28973.79  5211.95 34227.85  5290.59  263.903   24.607  287.464   22.855 -23.56140 33.58344 
1 1 1   61    1    2 o  435.368   22.891 78254.84  8063.64 76435.98 11346.40 80110.93 11461.90  426.459   33.025  436.858   32.547 -10.39850 46.36723 
1 1 1   61    1    3 o  249.311   14.976 25480.57  3017.52 26051.38  4212.47 24878.97  4324.58  250.975   20.860  244.975   21.975 6.000412 30.29936 
1 1 1   61    1    4 o  106.025   9.5620  4612.60  814.325  4695.56  1124.27  4521.04  1181.09  106.463   13.295  104.265   14.330 2.198013 19.54776 
1 1 1   61    1    5 o  146.001   10.391  8725.23  1223.80  9121.76  1581.49  8133.39  1932.12  148.932   13.215  139.870   17.388 9.062805 21.83996 
1 1 1   61    1    6 o   46.174   12.362  899.685  472.680  1247.94  650.436  509.937  688.094   54.320   14.483   40.930   15.333 13.39031 21.09162 
1 1 1   61    1    7 o  174.460   10.115 12442.88  1426.74 11772.37  1996.73 13142.35  2039.39  169.013   14.696  178.735   14.169 -9.722336 20.41390 
1 1 1   61    1    8 o  430.249   16.489 76013.58  5760.57 75071.91  8140.07 76958.29  8153.30  424.404   23.717  429.842   23.449 -5.437805 33.35183 
1 1 1   61    1    9 o  310.224   14.169 39480.97  3568.94 36349.59  4211.28 47461.90  6723.15  296.345   17.580  335.718   24.840 -39.37332 30.43179 
1 1 1   61    1   10 o  350.547   16.020 50708.99  4559.86 56107.83  8523.65 48544.44  5397.08  360.940   29.338  341.113   19.568 19.82776 35.26476 
1 1 1   61    1   11 o  200.740   10.978 16557.31  1782.56 14976.07  2524.22 18130.30  2517.62  189.419   16.579  209.057   14.930 -19.63814 22.31069 
1 1 1   61    1   12 o  161.872   10.874 10794.55  1420.88 10400.77  2020.94 11179.48  1998.10  157.544   16.021  163.634   15.213 -6.089935 22.09322 
1 1 1   61    1   13 o  106.038   10.577  4660.39  898.500  4593.47  1278.57  4725.69  1262.92  104.037   15.618  105.680   15.151 -1.643501 21.75952 
1 1 1   61    1   14 o  132.210   11.269  7250.39  1198.23  6184.36  1674.80  8368.24  1715.02  120.124   17.702  140.939   15.229 -20.81496 23.35077 
1 1 1   61    1   15 o  104.411   11.959  4566.49  995.595  2741.31  1413.51  6363.40  1402.52   78.437   21.537  122.739   14.344 -44.30129 25.87635 
1 1 1   61    1   16 o  150.374   11.229  9414.96  1361.10  8072.52  1922.15 10765.08  1927.63  136.630   17.745  159.316   15.081 -22.68643 23.28781 
1 1 1   61    1   17 o   88.129   14.448  3356.99  997.993  2102.38  1338.67  4926.73  1497.38   68.614   21.561  105.582   18.119 -36.96803 28.16342 
1 1 1   61    1   18 o   46.901   17.464  794.366  889.973  1264.09  1183.12  182.170  1350.68   56.026   20.256   46.579   19.968 9.447227 28.44311 
1 1 1   61    1   19 o  106.369   14.355  4966.66  1208.13  6082.39  1596.04  3469.60  1848.79  115.903   17.505   82.832   25.223 33.07094 30.70172 
1 1 1   61    3    0 o  203.222   14.442 16947.35  2367.61 16225.35  3236.78 17778.19  3472.21  197.750   20.454  206.986   20.948 -9.235596 29.27798 
1 1 1   61    3    1 o  112.339   12.348  5206.38  1107.72  5596.95  1454.51  4667.01  1709.25  115.960   15.864  104.804   20.820 11.15582 26.17498 
1 1 1   61    3    2 o  178.100   13.038 13006.47  1872.38 15727.49  2531.04  9717.50  2782.69  195.476   16.089  151.899   23.306 43.57629 28.32013 
1 1 1   61    3    3 o  290.479   16.685 34635.64  3918.70 36764.30  5376.09 32222.53  5724.03  298.027   22.380  278.049   25.643 19.97784 34.03526 
1 1 1   61    3    4 o  480.085   20.576 94718.59  8020.76 96185.52  9916.53 91943.36 13639.65  481.615   25.449  465.813   36.350 15.80252 44.37302 
1 1 1   61    3    5 o  444.862   16.390 80997.36  5920.31 80998.73  8309.66 80995.96  8436.96  442.501   23.209  442.363   23.574 0.1384583 33.08143 
1 1 1   61    3    6 o  688.783   24.617 196414.50 13767.26 197744.80 19429.62 195073.09 19510.34  683.494   35.129  678.528   35.536 4.966614 49.96847 
1 1 1   61    3    7 o  256.551   12.978 26953.97  2694.73 27018.48  3389.01 26843.07  4443.62  256.209   16.376  254.056   21.751 2.152603 27.22652 
1 1 1   61    3    8 o  161.890   11.992 10764.53  1565.07 11196.79  1774.36  9249.64  3321.71  164.899   13.367  145.928   29.055 18.97151 31.98260 
1 1 1   61    3    9 o  291.815   12.486 34863.43  2958.41 35068.01  4197.23 34661.44  4170.55  290.883   17.857  289.188   17.848 1.694580 25.24770 
1 1 1   61    3   10 o  158.270   9.4606 10265.47  1210.21  9963.38  1682.63 10589.21  1741.89  155.164   13.490  159.988   13.536 -4.823776 19.11009 
1 1 1   61    3   11 o  112.816   13.232  5305.70  1189.11  6649.98  2780.06  5004.69  1315.52  121.940   28.577  109.046   15.277 12.89378 32.40408 
1 1 1   61    3   12 o   35.265   13.720  322.987  564.622  812.666  791.664 -183.9650  805.507   47.055   16.619   34.287   15.051 12.76796 22.42119 
1 1 1   61    3   13 o  156.727   10.526 10129.05  1331.70  9390.25  1895.39 10849.30  1871.45  149.399   15.868  161.155   14.456 -11.75600 21.46510 
1 1 1   61    3   14 o  162.232   10.829 10878.74  1418.31  9595.32  2014.97 12139.04  1996.74  150.426   16.783  170.221   14.588 -19.79520 22.23680 
1 1 1   61    3   15 o  122.164   11.363  6216.55  1114.17  5931.72  1535.60  6533.18  1619.05  117.670   16.528  123.580   16.551 -5.909462 23.39024 
1 1 1   61    3   16 o   41.941   16.095  530.314  769.017  516.119  1036.75  547.677  1146.64   45.946   18.369   47.929   19.262 -1.983089 26.61667 
1 1 1   61    3   17 o  104.575   12.603  4640.67  1048.60  4380.01  1460.69  4917.83  1506.23   99.036   18.853  105.352   18.270 -6.315559 26.25366 
1 1 1   61    3   18 o   36.359   14.594  310.915  657.228  1132.99  769.512 -1905.6520  1263.57   51.245   16.375   32.120   15.575 19.12481 22.59955 
1 1 1   61    3   19 o   83.058   16.297  3126.32  1059.82  3398.17  1371.13  2722.84  1670.42   84.516   20.246   74.300   24.164 10.21600 31.52481 
1 1 1   61    5    0 o  547.481   22.857 123515.20 10160.93 121229.00 12269.41 128506.00 18128.20  539.677   28.097  548.193   41.024 -8.516418 49.72353 
1 1 1   61    5    1 o  444.288   23.409 81605.80  8414.96 82991.52 11650.77 80094.52 12167.11  444.392   32.514  435.509   34.695 8.882904 47.54944 
1 1 1   61    5    2 o  223.462   13.591 20454.26  2454.30 18799.54  3223.80 22735.49  3785.21  213.307   18.806  234.464   20.076 -21.15767 27.50852 
1 1 1   61    5    3 o  223.308   13.420 20423.41  2421.95 19041.65  3197.05 22284.37  3710.26  214.727   18.518  232.131   19.877 -17.40475 27.16603 
1 1 1   61    5    4 o  259.592   12.951 27496.06  2729.82 26938.56  3367.72 28564.15  4661.39  256.071   16.282  262.451   22.079 -6.380219 27.43322 
1 1 1   61    5    5 o  242.969   12.736 24154.52  2503.76 26562.93  3455.07 21491.13  3633.37  254.113   16.841  227.837   19.838 26.27562 26.02238 
1 1 1   61    5    6 o  280.563   14.233 32260.42  3231.70 33674.24  3806.70 28611.91  6115.17  286.214   16.449  260.109   29.475 26.10550 33.75412 
1 1 1   61    5    7 o  619.494   21.713 158675.91 10921.63 164104.91 15405.58 153190.20 15485.75  624.618   30.376  601.750   31.807 22.86835 43.98145 
1 1 1   61    5    8 o  528.559   21.995 116003.90  9439.49 115306.70 11683.90 117314.40 16017.82  522.981   27.613  518.823   38.294 4.157349 47.21068 
1 1 1   61    5    9 o  162.847   9.4537 10857.88  1244.65 10473.21  1730.49 11270.15  1791.51  159.222   13.513  165.217   13.472 -5.995361 19.08101 
1 1 1   61    5   10 o   40.198   12.743  652.650  466.703  844.578  606.376  373.733  730.989   45.680   14.530   39.476   15.537 6.203487 21.27270 
1 1 1   61    5   11 o   62.621   13.121  1672.92  645.810  1623.22  912.878  1722.71  913.749   61.647   17.450   63.350   17.284 -1.702721 24.56074 
1 1 1   61    5   12 o   82.594   11.143  2850.07  728.227  2546.33  998.557  3195.15  1064.32   76.838   16.498   86.470   15.739 -9.631851 22.80126 
1 1 1   61    5   13 o  259.854   12.334 27855.17  2602.46 26984.06  3702.78 28705.55  3658.49  252.851   18.156  261.258   17.345 -8.406311 25.10955 
1 1 1   61    5   14 o  220.931   11.037 20110.29  1979.86 16330.13  2810.93 23831.96  2789.09  196.073   17.852  238.862   14.449 -42.78850 22.96610 
1 1 1   61    5   15 o  134.109   10.438  7457.62  1127.62  7317.01  1565.76  7609.12  1625.30  131.411   14.940  133.936   15.215 -2.525253 21.32350 
1 1 1   61    5   16 o   34.645   14.305  172.648  653.004  454.840  817.249 -325.6536  1085.99   41.641   16.416   38.523   17.164 3.117928 23.75092 
1 1 1   61    5   17 o  108.827   12.325  5018.00  1069.90  4937.19  1395.85  5133.09  1665.83  106.133   16.753  106.713   19.959 -0.5805893 26.05843 
1 1 1   61    5   18 o   87.337   14.563  3343.62  996.370  1367.63  1254.96  6713.25  1638.80   57.662   20.860  123.150   16.830 -65.48839 26.80219 
1 1 1   61    5   19 o   46.848   16.614  897.743  791.972  532.827  1002.38  1503.97  1291.97   44.319   17.940   58.621   21.171 -14.30222 27.75011 
1 1 1   61    7    0 o  313.701   27.430 41150.90  6916.64   0.0000   0.0000 41150.90  6916.64  ?   ?   313.701   27.430 0.000000 27.43021 
1 1 1   61    7    1 o  662.743   50.574 192884.41 27009.82   0.0000   0.0000 192884.41 27009.82  ?   ?   662.743   50.574 0.000000 50.57421 
1 1 1   61    7    2 o  187.240   20.829 14590.27  3113.00   0.0000   0.0000 14590.27  3113.00  ?   ?   187.240   20.829 0.000000 20.82883 
1 1 1   61    7    4 o  819.719   37.195 284798.81 24756.49 284798.81 24756.49   0.0000   0.0000  819.719   37.195  ?   ?  0.000000 37.19510 
1 1 1   61    7    5 o  523.403   19.985 112724.20  8493.27 120150.10 11884.36 104972.40 12142.39  536.600   27.367  500.084   30.043 36.51602 40.63924 
1 1 1   61    7    6 o   81.569   9.6798  2748.40  628.591  3018.61  788.283  2276.52  1041.70   85.227   11.700   73.016   17.745 12.21080 21.25455 
1 1 1   61    7    7 o  310.762   12.570 39475.37  3171.67 39995.20  4432.87 38930.13  4539.90  311.308   17.609  306.921   18.300 4.387024 25.39665 
1 1 1   61    7    8 o  136.591   9.3394  7644.23  1029.60  7624.40  1392.23  7668.17  1529.59  135.875   12.769  136.027   14.051 -0.1520386 18.98639 
1 1 1   61    7    9 o  106.189   10.278  4650.84  875.141  4892.65  1064.56  4146.79  1536.97  108.585   12.291   98.154   19.965 10.43147 23.44468 
1 1 1   61    7   10 o  132.093   9.5940  7169.40  1021.98  6687.98  1380.43  7753.30  1520.27  126.772   13.625  136.533   13.908 -9.760773 19.46918 
1 1 1   61    7   11 o  139.013   9.3979  7940.05  1054.55  5958.51  1430.44 10299.12  1560.77  119.089   15.135  157.801   12.278 -38.71193 19.48892 
1 1 1   61    7   12 o  161.940   13.492 10906.54  1757.95  9947.77  4268.22 11102.40  1929.17  144.848   36.349  163.028   14.733 -18.18025 39.22127 
1 1 1   61    7   13 f  108.988   10.107  4917.51  884.275  4452.69  1181.43  5509.64  1333.43  102.566   14.598  114.254   14.715 -11.68817 20.72800 
1 1 1   61    7   14 o  172.700   10.494 12322.96  1464.62 12642.52  2021.39 11969.78  2125.05  173.594   14.473  168.393   15.724 5.201599 21.37073 
1 1 1   61    7   15 o  110.765   10.830  5114.31  961.567  4203.73  1251.07  6428.65  1503.07   98.699   16.171  122.807   15.413 -24.10712 22.33994 
1 1 1   61    7   16 o  134.155   10.956  7511.10  1183.06  6890.86  1571.31  8322.86  1797.62  126.704   15.603  139.113   16.219 -12.40891 22.50567 
1 1 1   61    7   17 o   77.165   14.259  2596.85  860.503  2903.54  1099.10  2111.16  1383.16   80.565   17.317   68.421   21.964 12.14486 27.96929 
1 1 1   61    7   18 o   97.764   13.229  4134.75  1023.19  2289.30  1304.19  7089.04  1650.12   69.882   21.163  126.554   16.447 -56.67133 26.80284 
1 1 1   61    7   19 o  115.843   13.443  5868.56  1240.91  6492.52  1566.01  4815.68  2034.27  119.828   16.536   96.136   25.603 23.69157 30.47886 
1 1 1   61    9    0 o  216.205   23.731 19542.58  4097.51   0.0000   0.0000 19542.58  4097.51  ?   ?   216.205   23.731 0.000000 23.73108 
1 1 1   61    9    1 o  470.162   36.872 94173.05 13963.24   0.0000   0.0000 94173.05 13963.24  ?   ?   470.162   36.872 0.000000 36.87200 
1 1 1   61    9    2 f  117.021   21.669  5816.74  1983.06   0.0000   0.0000  5816.74  1983.06  ?   ?   117.021   21.669 0.000000 21.66866 
1 1 1   61    9    3 f  355.384   29.138 53041.35  8334.13   0.0000   0.0000 53041.35  8334.13  ?   ?   355.384   29.138 0.000000 29.13804 
1 1 1   61    9    4 o  423.372   22.917 74306.79  7848.73 88731.62 11800.32 62862.30 10510.83  458.446   31.899  384.492   34.019 73.95413 46.63508 
1 1 1   61    9    5 o  536.900   19.310 118675.70  8418.14 112456.00 10325.65 131003.30 14536.87  520.476   24.433  556.365   32.318 -35.88861 40.51477 
1 1 1   61    9    6 o  290.477   10.651 34420.73  2512.05 33357.80  3424.90 35658.38  3695.69  284.935   14.855  294.466   15.512 -9.531189 21.47742 
1 1 1   61    9    7 o  260.887   10.874 27796.30  2303.36 26186.19  3157.60 29627.49  3367.40  251.992   15.508  268.088   15.536 -16.09595 21.95134 
1 1 1   61    9    8 o   85.172   9.3445  2995.57  635.621  3462.69  787.595  2123.04  1076.42   91.407   10.822   70.331   18.574 21.07568 21.49650 
1 1 1   61    9    9 o   93.186   9.1792  3580.24  685.519  3304.97  853.911  4079.27  1149.72   88.966   12.138   98.424   14.848 -9.458199 19.17790 
1 1 1   61    9   10 o  192.922   10.527 15290.80  1642.71 13989.70  2252.35 16769.38  2401.06  183.297   15.273  200.928   14.822 -17.63106 21.28233 
1 1 1   61    9   11 o   93.970   9.3766  3649.10  705.891  3308.13  884.627  4246.75  1171.18   88.770   12.629  100.248   14.836 -11.47801 19.48378 
1 1 1   61    9   12 o   22.620   10.140 -173.8736  385.227 -151.2419  442.687 -244.4729  781.876   24.845   11.020   33.073   14.659 -8.227997 18.33937 
1 1 1   61    9   13 o   31.178   12.764  147.817  514.341  409.307  620.889 -424.0956  918.229   37.702   14.463   34.509   15.547 3.193920 21.23413 
1 1 1   61    9   14 o   38.141   13.936  499.023  562.190  594.362  686.368  304.675  979.970   41.773   15.378   42.793   17.580 -1.019623 23.35686 
1 1 1   61    9   15 o   82.714   12.608  2908.49  819.992  1606.50  1047.21  4971.90  1318.33   61.041   19.052  107.608   15.538 -46.56758 24.58500 
1 1 1   61    9   16 o   47.872   15.369  959.614  677.273  1254.89  811.235  280.366  1230.39   54.004   16.754   46.177   19.393 7.827103 25.62828 
1 1 1   61    9   17 o  102.488   12.004  4467.09  980.005  3861.07  1224.78  5545.57  1633.89   93.207   16.802  111.038   18.793 -17.83165 25.20825 
1 1 1   61    9   18 o   54.551   15.944  1336.19  750.645  998.966  928.335  1973.09  1275.81   49.799   17.952   65.136   21.114 -15.33690 27.71402 
1 1 1   61   11    0 o  509.658   40.348 112126.70 16560.66   0.0000   0.0000 112126.70 16560.66  ?   ?   509.658   40.348 0.000000 40.34827 
1 1 1   61   11    1 o  816.709   65.768 313449.31 43243.72   0.0000   0.0000 313449.31 43243.72  ?   ?   816.709   65.768 0.000000 65.76789 
1 1 1   61   11    2 o  344.815   29.132 50065.93  8080.03   0.0000   0.0000 50065.93  8080.03  ?   ?   344.815   29.132 0.000000 29.13212 
1 1 1   61   11    3 o  149.262   21.735  9386.36  2556.84   0.0000   0.0000  9386.36  2556.84  ?   ?   149.262   21.735 0.000000 21.73488 
1 1 1   61   11    4 o  662.290   35.463 187485.00 19001.18 188838.91 27580.56 186261.91 26214.87  645.080   53.129  643.824   50.553 1.256531 73.33689 
1 1 1   61   11    5 o  228.379   18.146 21612.17  3337.15 19927.17  5479.23 22605.80  4207.57  214.537   32.470  232.340   22.589 -17.80350 39.55408 
1 1 1   61   11    6 o  224.230   17.865 20869.58  3225.66 22142.84  5512.13 20206.46  3977.90  226.364   30.789  219.158   22.683 7.206604 38.24182 
1 1 1   61   11    7 o  129.216   10.303  6864.36  1072.01  8563.70  1349.85  3962.08  1764.06  144.196   11.628   95.438   23.029 48.75782 25.79782 
1 1 1   61   11    8 o  159.067   9.3543 10370.34  1202.86 10100.65  1557.64 10768.75  1893.25  156.424   12.365  161.027   14.640 -4.603119 19.16278 
1 1 1   61   11    9 o  235.778   9.8850 22745.98  1892.42 20668.22  2576.59 25179.62  2788.53  223.379   14.280  246.740   13.976 -23.36090 19.98159 
1 1 1   61   11   10 o   28.442   10.417  266.345  314.346  414.161  329.320 -1249.0840  1054.45   32.533   10.736   31.905   15.134 0.6279736 18.55559 
1 1 1   61   11   11 o  314.960   13.386 41004.22  3423.21 38391.23  4835.28 43629.94  4847.04  300.957   19.899  321.731   18.634 -20.77411 27.26191 
1 1 1   61   11   12 o  154.707   9.6665  9857.51  1208.19  9575.04  1583.48 10251.07  1869.10  151.596   12.990  156.275   14.911 -4.679337 19.77559 
1 1 1   61   11   13 o  168.016   14.574 11857.63  1968.57  8963.40  5204.36 12340.87  2126.57  131.634   42.641  171.070   15.477 -39.43523 45.36291 
1 1 1   61   11   14 o  155.079   10.097  9953.46  1264.52  8991.67  1658.67 11288.26  1954.02  146.008   14.169  163.435   14.888 -17.42688 20.55287 
1 1 1   61   11   15 o  125.126   10.059  6509.93  1013.38  6203.57  1267.79  7052.05  1686.46  121.139   13.098  127.773   16.651 -6.634209 21.18507 
1 1 1   61   11   16 o   98.439   10.726  4075.80  843.416  3248.51  1007.51  6013.44  1541.89   86.336   14.911  117.280   16.660 -30.94424 22.35843 
1 1 1   61   11   17 o   54.379   13.864  1309.77  614.027  1358.89  713.985  1170.24  1203.28   55.224   15.363   54.770   20.324 0.4539719 25.47705 
1 1 1   61   11   18 o   36.781   13.950  453.527  573.496  537.058  631.437   60.009  1370.53   39.090   14.680   44.995   19.694 -5.904652 24.56351 
1 1 1   61   13    0 o  466.778   38.079 94189.10 14306.48   0.0000   0.0000 94189.10 14306.48  ?   ?   466.778   38.079 0.000000 38.07889 
1 1 1   61   13    1 o  328.444   29.340 45661.79  7742.11   0.0000   0.0000 45661.79  7742.11  ?   ?   328.444   29.340 0.000000 29.33970 
1 1 1   61   13    2 o   68.736   24.470  1711.11  1719.63   0.0000   0.0000  1711.11  1719.63  ?   ?    68.736   24.470 0.000000 24.47019 
1 1 1   61   13    3 o  216.134   23.469 19641.37  4052.44   0.0000   0.0000 19641.37  4052.44  ?   ?   216.134   23.469 0.000000 23.46877 
1 1 1   61   13    4 o  241.263   18.785 24175.92  3650.86 26608.29  6044.03 22778.58  4581.04  248.794   30.562  232.254   24.670 16.54001 39.27612 
1 1 1   61   13    5 o  166.406   18.077 11571.35  2403.19 12947.38  4324.59 10956.58  2890.61  171.337   32.269  160.531   22.819 10.80583 39.52223 
1 1 1   61   13    6 o  337.352   21.986 47795.86  5989.50 46264.30  9359.81 48857.95  7794.33  322.861   36.335  337.187   28.743 -14.32599 46.32949 
1 1 1   61   13    7 o  191.703   18.123 15398.70  2787.51 13647.27  5011.34 16183.39  3354.32  172.397   36.914  195.365   21.502 -22.96759 42.71916 
1 1 1   61   13    8 o  267.783   15.653 29787.81  3388.69 40683.27  7076.59 26546.06  3860.03  305.266   28.894  251.362   19.054 53.90410 34.61103 
1 1 1   61   13    9 o  138.474   13.938  7996.81  1545.86  5651.35  4153.37  8373.97  1665.52  112.149   38.144  141.524   14.709 -29.37453 40.88206 
1 1 1   61   13   10 o  226.094   18.982 21639.19  3452.44 20213.51  6285.71 22255.09  4131.40  205.766   39.050  227.365   22.682 -21.59825 45.15963 
1 1 1   61   13   11 o  152.426   9.0580  9552.17  1116.02  8842.46  1411.51 10735.67  1822.76  145.929   12.019  160.236   14.155 -14.30653 18.56990 
1 1 1   61   13   12 o  155.646   9.1021  9971.15  1145.30  8601.13  1451.36 12232.39  1864.60  143.608   12.574  171.112   13.531 -27.50429 18.47096 
1 1 1   61   13   13 f  126.981   9.3800  6664.03  960.266  6465.43  1173.23  7067.08  1671.38  124.440   11.751  128.554   16.385 -4.114517 20.16263 
1 1 1   61   13   14 o   44.438   11.386  849.956  412.695  761.901  444.538  1399.37  1110.40   42.316   12.241   58.241   19.723 -15.92464 23.21331 
1 1 1   61   13   15 o   95.562   9.5528  3810.51  731.298  3314.62  839.983  5363.44  1486.46   88.350   12.021  110.686   17.090 -22.33575 20.89440 
1 1 1   61   13   16 o   85.457   9.9606  3074.97  678.182  3002.49  781.190  3296.73  1366.42   83.838   11.802   84.465   20.197 -0.6277161 23.39228 
1 1 1   61   13   17 o   25.648   10.594   93.741  358.346  294.257  372.966 -2314.4290  1292.53   30.055   11.283   30.777   15.101 -0.7213650 18.85090 
1 1 1   61   15    0 f  174.388   26.938 13057.16  3691.46   0.0000   0.0000 13057.16  3691.46  ?   ?   174.388   26.938 0.000000 26.93812 
1 1 1   61   15    1 o  323.837   30.019 44853.88  7803.59   0.0000   0.0000 44853.88  7803.59  ?   ?   323.837   30.019 0.000000 30.01894 
1 1 1   61   15    2 o  286.961   27.547 35062.26  6339.54   0.0000   0.0000 35062.26  6339.54  ?   ?   286.961   27.547 0.000000 27.54654 
1 1 1   61   15    3 o  270.338   26.414 31114.46  5723.86   0.0000   0.0000 31114.46  5723.86  ?   ?   270.338   26.414 0.000000 26.41363 
1 1 1   61   15    4 o  237.465   24.940 24019.09  4736.91   0.0000   0.0000 24019.09  4736.91  ?   ?   237.465   24.940 0.000000 24.93985 
1 1 1   61   15    5 o  574.889   32.961 144741.41 15321.82 143985.20 22607.10 145383.80 20837.56  545.621   51.643  556.608   46.533 -10.98694 69.51506 
1 1 1   61   15    6 f   49.031   18.990  664.247  1077.86 -3203.4451  3086.86  1201.29  1150.26   55.190   26.095   56.813   20.036 -1.623466 32.89953 
1 1 1   61   15    7 o  284.734   20.933 34312.72  4805.74 33381.71  7947.99 34849.26  6033.63  269.472   37.327  283.544   26.515 -14.07214 45.78625 
1 1 1   61   15    8 o  184.520   14.678 14185.25  2180.98 23330.78  5336.65 12351.51  2389.65  229.241   29.344  171.190   17.435 58.05089 34.13292 
1 1 1   61   15    9 o  203.495   14.833 17278.06  2434.04 22018.30  5932.84 16318.72  2669.01  218.039   34.672  196.965   16.851 21.07343 38.55007 
1 1 1   61   15   10 o  157.822   14.669 10442.22  1858.31  9049.13  5125.12 10653.09  1994.00  134.173   42.192  159.083   15.639 -24.91064 44.99715 
1 1 1   61   15   11 o   93.632   17.482  3803.18  1280.22  2108.32  4446.04  3956.41  1336.84   88.833   37.054   95.406   17.915 -6.573013 41.15793 
1 1 1   61   15   12 o  239.077   15.828 24129.38  3055.11 27631.76  7655.28 23465.88  3331.95  231.637   42.259  234.691   17.613 -3.054199 45.78280 
1 1 1   61   15   13 o  197.466   15.740 16563.66  2502.75 16238.49  7052.27 16610.51  2677.00  165.224   49.028  197.094   16.891 -31.87057 51.85633 
1 1 1   61   15   14 o   38.285   16.995 -266.4772  1054.76 -11047.6104  4129.60  485.924  1090.94   46.979   23.657   46.197   18.710 0.7823639 30.16137 
1 1 1   61   15   15 o   13.843   6.7226 -406.8402  237.734 -483.5695  243.453  1168.93  1103.27   13.389   6.5666   54.337   19.573 -40.94777 20.64503 
1 1 1   61   15   16 o  148.716   9.6824  9255.48  1162.80  8305.04  1433.47 11084.19  1988.37  139.282   12.819  159.191   15.583 -19.90887 20.17800 
1 1 1   61   15   17 o  160.475   10.607 10917.29  1374.25 10434.69  1695.70 11840.89  2345.84  154.770   13.633  160.750   18.299 -5.979691 22.81854 
1 1 1   61   17    3 o  214.252   25.468 19778.40  4343.79   0.0000   0.0000 19778.40  4343.79  ?   ?   214.252   25.468 0.000000 25.46818 
1 1 1   61   17    4 o  189.220   24.813 15475.87  3720.45   0.0000   0.0000 15475.87  3720.45  ?   ?   189.220   24.813 0.000000 24.81342 
1 1 1   61   17    5 o  333.916   23.688 47678.93  6380.79 43154.09 10214.79 50574.33  8171.13  301.113   43.001  338.894   30.005 -37.78049 52.43425 
1 1 1   61   17    6 o   94.868   22.524  3969.62  1709.11  2724.98  4065.66  4236.79  1883.63   92.038   36.510   97.727   23.929 -5.688698 43.65303 
1 1 1   61   17    7 o  144.552   20.736  9003.01  2364.16 13541.62  4874.10  7606.71  2703.48  169.173   36.551  130.393   26.439 38.78040 45.11103 
1 1 1   61   17    8 o  146.189   14.772  8966.00  1729.43 15982.67  4620.70  7822.94  1864.99  186.728   31.604  135.622   17.332 51.10632 36.04443 
1 1 1   61   17    9 o  254.211   15.931 27123.47  3271.67 34145.68  7789.88 25619.53  3605.04  267.966   36.772  245.820   18.191 22.14574 41.02545 
1 1 1   61   17   10 o  416.439   21.009 74623.51  7081.12 80615.56 14465.12 72735.01  8120.67  393.621   46.134  406.776   24.704 -13.15494 52.33170 
1 1 1   61   17   11 o  184.365   15.323 14358.90  2273.01 14572.54  6604.32 14330.19  2420.92  160.840   47.372  183.663   16.406 -22.82268 50.13294 
1 1 1   61   17   12 o   73.659   21.355  2430.83  1351.55 -859.7710  5310.02  2658.78  1397.57   79.900   36.540   76.811   21.538 3.089676 42.41549 
1 1 1   61   17   13 o  129.760   17.211  7322.91  1768.58  5885.32  6513.10  7437.35  1837.62  107.870   44.909  130.488   17.809 -22.61859 48.31158 
1 1 1   61   17   14 o  111.191   18.729  5527.62  1630.85  673.924  6844.96  5819.73  1679.21   87.847   40.645  114.126   18.774 -26.27899 44.77153 
1 1 1   61   17   15 o  117.176   19.192  6246.83  1762.75  484.183  7598.51  6574.60  1812.19   85.967   40.734  120.258   19.205 -34.29060 45.03446 
1 1 1   61   17   16 o   42.162   18.842 -222.6870  1319.23  6453.61  7498.73 -435.9214  1340.14   94.826   43.387   40.987   18.593 53.83889 47.20279 
1 1 1   61   19    0 o   94.584   31.883  3838.12  2901.51   0.0000   0.0000  3838.12  2901.51  ?   ?    94.584   31.883 0.000000 31.88318 
1 1 1   61   19    1 o  137.035   28.582  8438.64  3077.30   0.0000   0.0000  8438.64  3077.30  ?   ?   137.035   28.582 0.000000 28.58180 
1 1 1   61   19    5 o  361.363   33.487 59560.62  9713.79   0.0000   0.0000 59560.62  9713.79  ?   ?   361.363   33.487 0.000000 33.48652 
1 1 1   61   19    6 o   91.792   27.577  3783.83  2220.96   0.0000   0.0000  3783.83  2220.96  ?   ?    91.792   27.577 0.000000 27.57688 
1 1 1   61   19    7 o   64.472   23.909  1491.43  1664.70  2927.90  3709.63  1129.21  1862.80   89.838   35.108   62.855   24.783 26.98303 42.97396 
1 1 1   61   19    8 o   40.890   16.643  307.971  868.110  4173.60  4537.87  161.126  884.445  100.560   38.960   39.475   16.502 61.08463 42.31041 
1 1 1   61   19    9 o  107.349   16.403  4950.33  1384.35  9113.14  5472.91  4665.79  1430.88  131.123   43.790  103.734   17.618 27.38940 47.20173 
1 1 1   61   19   10 o   86.666   17.820  3300.58  1212.14 11361.35  5592.70  2903.27  1241.65  143.866   43.883   80.803   19.207 63.06249 47.90193 
1 1 1   61   19   11 o   42.708   17.821  239.853  1028.85  5968.18  5476.21   30.260  1047.50  108.991   42.639   40.936   17.567 68.05543 46.11590 
1 1 1   61   19   12 o  167.992   16.557 12165.85  2229.02 15873.50  7630.30 11819.92  2330.69  153.417   51.704  164.904   17.682 -11.48723 54.64373 
1 1 1   61   19   13 o   62.422   21.287  1683.50  1293.52 -5593.6538  6690.39  1966.08  1318.40   73.053   35.519   66.267   21.461 6.786240 41.49954 
1 1 1   61   19   14 o   54.594   21.032  1072.62  1316.59 -2159.0049  6047.86  1233.39  1348.95   74.517   35.599   56.679   21.419 17.83812 41.54566 
1 1 1   61   19   15 o  123.276   19.476  7050.77  1884.76 16979.22  8979.66  6593.22  1927.70  123.732   52.200  118.085   20.868 5.647202 56.21713 
1 1 1   61   21    0 o  260.755   31.825 31073.86  6598.31   0.0000   0.0000 31073.86  6598.31  ?   ?   260.755   31.825 0.000000 31.82498 
1 1 1   61   21    1 o  256.908   30.689 29935.59  6275.01   0.0000   0.0000 29935.59  6275.01  ?   ?   256.908   30.689 0.000000 30.68880 
1 1 1   61   21    2 o  188.297   28.237 15952.38  4184.03   0.0000   0.0000 15952.38  4184.03  ?   ?   188.297   28.237 0.000000 28.23665 
1 1 1   61   21    3 o   64.596   26.155  1005.43  2131.28   0.0000   0.0000  1005.43  2131.28  ?   ?    64.596   26.155 0.000000 26.15526 
1 1 1   61   21    6 o  111.577   43.734  5622.55  5769.59  5622.55  5769.59   0.0000   0.0000  111.577   43.734  ?   ?  0.000000 43.73391 
1 1 1   61   21    7 o  215.879   27.021 21079.63  4632.75   0.0000   0.0000 21079.63  4632.75  ?   ?   215.879   27.021 0.000000 27.02147 
1 1 1   61   21    8 o  159.210   16.411 10808.77  2091.12   0.0000   0.0000 10808.77  2091.12  ?   ?   159.210   16.411 0.000000 16.41119 
1 1 1   61   21    9 o  182.455   15.394 14131.57  2259.35 25640.10  7618.80 13021.91  2365.77  216.434   44.828  174.308   16.929 42.12581 47.91813 
1 1 1   61   21   10 o  177.774   15.261 13461.77  2181.51 22026.18  7971.18 12768.38  2268.10  188.251   50.919  172.490   16.391 15.76152 53.49267 
1 1 1   61   21   11 o   48.040   19.083  634.208  1112.22  6801.67  6689.10  458.849  1127.92  110.050   45.639   46.333   18.927 63.71705 49.40800 
1 1 1   61   21   12 o  136.803   18.151  8299.92  1966.40  8271.33  8364.76  8301.59  2023.10  111.335   48.695  136.441   18.758 -25.10554 52.18297 
1 1 1   61   21   13 o   37.136   17.117 -709.9892  1197.04 -1024.1340  7687.59 -702.1833  1211.82   82.591   39.636   37.454   17.248 45.13717 43.22679 
1 1 1   61   21   14 o  118.467   22.383  6785.31  2074.14   0.0000   0.0000  6785.31  2074.14  ?   ?   118.467   22.383 0.000000 22.38287 
1 1 1   61   21   15 o   61.712   23.312  1748.01  1597.52   0.0000   0.0000  1748.01  1597.52  ?   ?    61.712   23.312 0.000000 23.31221 
1 1 1   61   23    0 o   94.909   32.777  4105.99  3069.75   0.0000   0.0000  4105.99  3069.75  ?   ?    94.909   32.777 0.000000 32.77737 
1 1 1   61   23    1 o  238.037   32.404 26636.78  6100.15   0.0000   0.0000 26636.78  6100.15  ?   ?   238.037   32.404 0.000000 32.40359 
1 1 1   61   23    2 o  179.850   29.265 14948.03  4126.65   0.0000   0.0000 14948.03  4126.65  ?   ?   179.850   29.265 0.000000 29.26481 
1 1 1   61   23    3 o   66.969   25.465  1579.24  1914.13   0.0000   0.0000  1579.24  1914.13  ?   ?    66.969   25.465 0.000000 25.46511 
1 1 1   61   23    4 o   61.201   25.302  761.696  2046.84   0.0000   0.0000  761.696  2046.84  ?   ?    61.201   25.302 0.000000 25.30223 
1 1 1   61   23    5 o   97.331   31.218  4474.27  2794.77   0.0000   0.0000  4474.27  2794.77  ?   ?    97.331   31.218 0.000000 31.21820 
1 1 1   61   23    6 o   88.428   29.553  3591.34  2492.63 10875.05  6713.86  2426.84  2684.51  136.066   48.360   78.937   30.124 57.12896 56.97507 
1 1 1   61   23    7 o  169.030   56.141 19464.18  8999.23 19464.18  8999.23   0.0000   0.0000  169.030   56.141  ?   ?  0.000000 56.14090 
1 1 1   61   23    8 o   95.934   18.202  4072.74  1365.94  3670.78  7179.56  4087.83  1391.35  101.614   44.760   95.985   18.523 5.628380 48.44130 
1 1 1   61   23    9 o  ?   ?  -1047.7469  235.479   0.0000   0.0000 -1047.7469  235.479  ?   ?   ?   ?  0.000000      ? 
1 1 1   61   23   10 o  138.346   17.009  8374.79  1870.38   0.0000   0.0000  8374.79  1870.38  ?   ?   138.346   17.009 0.000000 17.00856 
1 1 1   61   23   11 o   95.016   19.974  4158.66  1492.10 13256.07  8691.32  3882.38  1514.59  124.672   51.889   91.259   20.891 33.41308 55.93681 
1 1 1   61   23   12 o   45.842   19.575  253.567  1288.91  1678.47  8882.22  222.917  1302.70   88.901   42.649   45.768   19.615 43.13258 46.94301 
1 1 1   61   23   13 o   59.179   22.391  1483.58  1475.22   0.0000   0.0000  1483.58  1475.22  ?   ?    59.179   22.391 0.000000 22.39087 
1 1 1   61   25    0 o  119.452   36.871  7423.15  3934.46   0.0000   0.0000  7423.15  3934.46  ?   ?   119.452   36.871 0.000000 36.87084 
1 1 1   61   25    1 f   61.678   27.605 -449.6790  2842.76   0.0000   0.0000 -449.6790  2842.76  ?   ?    61.678   27.605 0.000000 27.60457 
1 1 1   61   25    2 o  106.048   37.230  5675.38  3968.18   0.0000   0.0000  5675.38  3968.18  ?   ?   106.048   37.230 0.000000 37.22990 
1 1 1   61   25    3 o   55.997   26.242 -2146.5901  3001.04   0.0000   0.0000 -2146.5901  3001.04  ?   ?    55.997   26.242 0.000000 26.24162 
1 1 1   61   25    4 o   78.722   32.498  1927.82  3369.32   0.0000   0.0000  1927.82  3369.32  ?   ?    78.722   32.498 0.000000 32.49787 
1 1 1   61   25    5 o   92.639   33.579  4073.80  3254.34   0.0000   0.0000  4073.80  3254.34  ?   ?    92.639   33.579 0.000000 33.57903 
1 1 1   61   25    6 o   76.360   31.038  1998.62  3014.18   0.0000   0.0000  1998.62  3014.18  ?   ?    76.360   31.038 0.000000 31.03791 
1 1 1   61   25    7 o   63.798   25.379  1335.86  1969.64 -8739.6064  7989.25  1987.88  2032.38   75.316   37.072   70.056   26.331 5.260361 45.47174 
1 1 1   61   25    8 o  133.685   15.483  7739.99  1649.49 12153.53  9425.66  7600.55  1675.35  123.731   52.887  132.230   15.924 -8.499786 55.23235 
1 1 1   61   25    9 o   95.404   20.358  4206.20  1528.97 24696.52  9338.73  3641.82  1549.89  170.062   57.200   87.919   21.815 82.14275 61.21902 
1 1 1   61   25   10 o  102.890   43.601  7215.43  6309.67  9175.99 10331.33  6049.14  7968.38  105.595   49.223   98.639   44.974 6.955353 66.67536 
1 1 1   61   25   11 o  102.936   19.322  4941.57  1555.64   0.0000   0.0000  4941.57  1555.64  ?   ?   102.936   19.322 0.000000 19.32206 
1 1 1   61   25   12 o   41.546   18.571 -178.2409  1282.36   0.0000   0.0000 -178.2409  1282.36  ?   ?    41.546   18.571 0.000000 18.57110 
1 1 1   61   27    0 o  131.550   40.614 10049.56  4773.65   0.0000   0.0000 10049.56  4773.65  ?   ?   131.550   40.614 0.000000 40.61438 
1 1 1   61   27    1 o  116.650   39.465  7740.84  4445.80   0.0000   0.0000  7740.84  4445.80  ?   ?   116.650   39.465 0.000000 39.46547 
1 1 1   61   27    2 o  117.711   40.832  8065.77  4766.29   0.0000   0.0000  8065.77  4766.29  ?   ?   117.711   40.832 0.000000 40.83168 
1 1 1   61   27    3 o   76.477   33.338  1243.64  3891.73   0.0000   0.0000  1243.64  3891.73  ?   ?    76.477   33.338 0.000000 33.33809 
1 1 1   61   27    4 o  112.339   37.045  7029.75  3920.93   0.0000   0.0000  7029.75  3920.93  ?   ?   112.339   37.045 0.000000 37.04490 
1 1 1   61   27    5 o   39.410   19.621 -5484.3599  2485.89   0.0000   0.0000 -5484.3599  2485.89  ?   ?    39.410   19.621 0.000000 19.62120 
1 1 1   61   27    6 o   86.009   34.365  3492.41  3626.34   0.0000   0.0000  3492.41  3626.34  ?   ?    86.009   34.365 0.000000 34.36506 
1 1 1   61   27    7 o   70.846   19.003  2317.49  1115.69  7787.55  8680.53  2225.61  1125.03  105.172   47.552   69.397   19.277 35.77470 51.31059 
1 1 1   61   27    8 o   65.428   19.546  1987.31  1118.11   0.0000   0.0000  1987.31  1118.11  ?   ?    65.428   19.546 0.000000 19.54648 
1 1 1   61   27    9 o   42.871   17.682  409.084  996.282   0.0000   0.0000  409.084  996.282  ?   ?    42.871   17.682 0.000000 17.68199 
1 1 1   61   27   10 o   25.024   12.272 -1546.2720  850.087   0.0000   0.0000 -1546.2720  850.087  ?   ?    25.024   12.272 0.000000 12.27224 
1 1 1   61   29    0 o   67.381   9.3239  1921.08  496.450   0.0000   0.0000  1921.08  496.450  ?   ?    67.381   9.3239 0.000000 9.323876 
1 1 1   61   29    1 o   61.269   12.945  1649.17  623.802   0.0000   0.0000  1649.17  623.802  ?   ?    61.269   12.945 0.000000 12.94457 
1 1 1   61   29    2 o  121.582   14.232  6413.95  1378.38   0.0000   0.0000  6413.95  1378.38  ?   ?   121.582   14.232 0.000000 14.23171 
1 1 1   61   29    3 o   78.923   35.190  1796.37  4573.53   0.0000   0.0000  1796.37  4573.53  ?   ?    78.923   35.190 0.000000 35.19011 
1 1 1   61   29    4 o  110.303   41.486  8289.83  5046.85   0.0000   0.0000  8289.83  5046.85  ?   ?   110.303   41.486 0.000000 41.48627 
1 1 1   61   29    5 o   95.005   16.961  4085.52  1260.39   0.0000   0.0000  4085.52  1260.39  ?   ?    95.005   16.961 0.000000 16.96103 
1 1 1   61   29    6 o   35.137   14.861  132.941  730.737   0.0000   0.0000  132.941  730.737  ?   ?    35.137   14.861 0.000000 14.86099 
1 1 1   61   29    7 o   20.012   9.8162 -1035.9200  544.698   0.0000   0.0000 -1035.9200  544.698  ?   ?    20.012   9.8162 0.000000 9.816166 
1 1 1   61   29    8 f   58.811   27.923 -1276.9940  3605.99   0.0000   0.0000 -1276.9940  3605.99  ?   ?    58.811   27.923 0.000000 27.92278 
1 1 1   61   29    9 o   57.080   27.209 -1234.9640  3492.83   0.0000   0.0000 -1234.9640  3492.83  ?   ?    57.080   27.209 0.000000 27.20858 
1 1 1   61   31    0 o   42.833   10.227  803.824  350.758   0.0000   0.0000  803.824  350.758  ?   ?    42.833   10.227 0.000000 10.22659 
1 1 1   61   31    1 o   61.824   10.625  1657.88  514.147   0.0000   0.0000  1657.88  514.147  ?   ?    61.824   10.625 0.000000 10.62513 
1 1 1   61   31    2 o   11.833   5.9155 -639.0116  236.153   0.0000   0.0000 -639.0116  236.153  ?   ?    11.833   5.9155 0.000000 5.915463 
1 1 1   61   31    3 o   17.192   8.3200 -559.6210  356.018   0.0000   0.0000 -559.6210  356.018  ?   ?    17.192   8.3200 0.000000 8.320008 
1 1 1   61   31    4 o   37.629   14.466  473.709  621.972   0.0000   0.0000  473.709  621.972  ?   ?    37.629   14.466 0.000000 14.46636 
1 1 1   61   31    5 o   71.207   31.882  2118.38  3796.30   0.0000   0.0000  2118.38  3796.30  ?   ?    71.207   31.882 0.000000 31.88227 
1 1 1   61   31    6 o   49.507   24.524 -4792.4048  3694.95   0.0000   0.0000 -4792.4048  3694.95  ?   ?    49.507   24.524 0.000000 24.52355 
1 1 1   61   31    7 o   59.106   28.677 -1608.4740  4299.46   0.0000   0.0000 -1608.4740  4299.46  ?   ?    59.106   28.677 0.000000 28.67680 
1 1 1   61   33    0 o   59.496   29.924 -6103.8008  6499.33   0.0000   0.0000 -6103.8008  6499.33  ?   ?    59.496   29.924 0.000000 29.92354 
1 1 1   61   33    1 o   66.713   32.307  566.329  5391.61   0.0000   0.0000  566.329  5391.61  ?   ?    66.713   32.307 0.000000 32.30735 
1 1 1   61   33    2 o   52.969   26.731 -8071.2222  5432.27   0.0000   0.0000 -8071.2222  5432.27  ?   ?    52.969   26.731 0.000000 26.73094 
1 1 1   61   33    3 o   64.286   31.659 -843.1547  5850.92   0.0000   0.0000 -843.1547  5850.92  ?   ?    64.286   31.659 0.000000 31.65878 
1 1 1   61   33    4 o   74.869   34.473  4561.12  4837.32   0.0000   0.0000  4561.12  4837.32  ?   ?    74.869   34.473 0.000000 34.47254 
1 1 1   62    0    0 o  315.807   26.850 41822.20  6770.38   0.0000   0.0000 41822.20  6770.38  315.807   26.850  315.807   26.850 0.000000 0.000000 
1 1 1   62    0    1 o  506.949   38.390 108636.50 15593.79   0.0000   0.0000 108636.50 15593.79  506.949   38.390  506.949   38.390 0.000000 0.000000 
1 1 1   62    0    2 o  259.336   23.006 28187.59  4756.75   0.0000   0.0000 28187.59  4756.75  259.336   23.006  259.336   23.006 0.000000 0.000000 
1 1 1   62    0    3 o   98.862   19.134  4406.91  1370.38   0.0000   0.0000  4406.91  1370.38   98.862   19.134   98.862   19.134 0.000000 0.000000 
1 1 1   62    0    4 o   89.355   18.456  3643.66  1182.09   0.0000   0.0000  3643.66  1182.09   89.355   18.456   89.355   18.456 0.000000 0.000000 
1 1 1   62    0    5 o  610.551   29.488 155170.20 14540.68 176736.59 21350.85 136515.20 19857.51  644.617   41.177  563.686   44.003 0.000000 0.000000 
1 1 1   62    0    6 o  234.209   15.997 22713.52  3009.51 22818.69  5054.20 22655.75  3745.99  230.082   28.186  232.555   20.188 0.000000 0.000000 
1 1 1   62    0    7 o   23.829   14.712  171.840  559.220  2354.30  1682.84 -99.0822  592.915   62.253   29.419   21.026   13.805 0.000000 0.000000 
1 1 1   62    0    8 f   55.860   18.698  1642.09  756.595  5361.21  2009.28  1027.63  816.708  104.815   27.322   41.198   20.348 0.000000 0.000000 
1 1 1   62    0    9 f  596.192   30.538 151342.80 14694.50 161577.41 21644.11 142591.91 20013.82  600.332   44.983  564.262   44.311 0.000000 0.000000 
1 1 1   62    0   10 o  435.981   24.395 80394.23  8573.94 80302.60 12989.05 80464.97 11413.87  423.364   38.519  428.930   33.231 0.000000 0.000000 
1 1 1   62    0   11 o   99.545   15.621  4364.77  1169.74  6444.80  2711.69  3889.23  1296.58  109.660   34.641   91.126   20.022 0.000000 0.000000 
1 1 1   62    0   12 o  237.525   17.065 23767.54  3252.14 22936.13  5585.23 24194.02  4000.22  222.769   33.008  237.411   21.137 0.000000 0.000000 
1 1 1   62    0   13 o  133.973   16.008  7753.61  1675.67  5205.60  3383.67  8581.56  1928.80   87.439   41.671  140.342   17.690 0.000000 0.000000 
1 1 1   62    0   14 o  154.380   16.297 10262.96  1990.77  9009.76  4155.08 10636.35  2268.03  119.329   45.519  155.957   18.610 0.000000 0.000000 
1 1 1   62    0   15 o   18.218   13.012 -1261.0120  868.943 -812.0029  2435.95 -1326.4771  930.134   38.489   26.095   18.924   13.508 0.000000 0.000000 
1 1 1   62    0   16 o  235.790   17.555 24043.47  3318.06 33350.18  6346.86 20543.26  3892.32  263.535   30.755  212.790   23.231 0.000000 0.000000 
1 1 1   62    0   17 o  262.535   18.934 30429.14  3987.88 45063.48  7774.97 25204.71  4645.49  298.166   33.164  231.137   25.550 0.000000 0.000000 
1 1 1   62    0   18 f   22.541   16.028 -1500.5640  1263.69  4784.14  3896.86 -2239.1379  1335.89   69.708   40.890   21.027   15.187 0.000000 0.000000 
1 1 1   62    0   19 o   41.820   25.187  1215.98  1553.02  715.103  5284.24  1263.34  1624.78   50.104   35.039   42.450   25.664 0.000000 0.000000 
1 1 1   62    2    0 o  396.398   21.519 64819.59  6900.31 54706.24  9685.11 75245.44  9833.61  359.939   33.524  424.644   28.688 -64.70502 44.12376 
1 1 1   62    2    1 o  573.845   29.533 137332.91 13714.00 136772.30 19322.78 137901.80 19467.08  564.804   42.444  567.038   42.593 -2.233887 60.13038 
1 1 1   62    2    2 o  430.324   22.787 76496.03  7933.65 78405.00 11111.17 74510.50 11331.82  432.160   31.890  420.539   33.463 11.62112 46.22488 
1 1 1   62    2    3 o  516.764   26.271 110851.10 10986.91 105627.30 15413.71 116246.60 15665.02  498.250   38.396  523.609   37.085 -25.35895 53.38121 
1 1 1   62    2    4 o  257.715   13.100 27171.05  2732.19 28103.61  3438.34 25573.41  4500.40  261.580   16.269  248.124   22.585 13.45633 27.83476 
1 1 1   62    2    5 o  353.508   14.758 51081.37  4235.97 53021.25  5941.29 49075.77  6041.09  358.469   20.497  344.491   21.708 13.97806 29.85618 
1 1 1   62    2    6 o  285.675   13.772 33347.10  3194.54 34146.02  4020.19 31978.43  5261.95  288.047   17.268  277.082   23.614 10.96555 29.25419 
1 1 1   62    2    7 o  118.644   9.0001  5765.45  860.568  5234.78  1168.21  6395.12  1272.53  112.442   13.037  124.473   12.772 -12.03026 18.25074 
1 1 1   62    2    8 o  212.489   13.134 18547.75  2254.96 18694.64  2602.12 18104.80  4518.73  212.925   15.150  205.852   27.741 7.072800 31.60836 
1 1 1   62    2    9 o  378.188   14.892 58807.37  4573.13 60830.68  6479.00 56798.52  6455.83  381.746   20.983  368.504   21.671 13.24261 30.16510 
1 1 1   62    2   10 o  258.162   12.802 27364.71  2683.61 29269.96  3814.57 25497.68  3776.11  265.049   17.828  246.875   18.983 18.17407 26.04258 
1 1 1   62    2   11 o  285.647   12.960 33571.72  3005.90 34013.16  4271.44 33138.63  4230.81  284.986   18.560  281.251   18.632 3.734650 26.29902 
1 1 1   62    2   12 o  201.123   11.209 16661.17  1823.24 16771.79  2589.98 16552.50  2567.08  200.298   16.060  198.991   16.024 1.307526 22.68671 
1 1 1   62    2   13 o  134.261   10.793  7453.61  1166.62  6441.40  1656.61  8449.48  1643.19  123.043   17.039  142.031   14.450 -18.98872 22.34085 
1 1 1   62    2   14 o  134.104   10.976  7454.51  1184.68  7708.57  1672.49  7198.67  1678.31  135.030   15.538  130.198   16.228 4.831589 22.46694 
1 1 1   62    2   15 o  102.739   12.429  4437.86  1015.71  4507.50  1405.51  4361.75  1469.48  101.881   17.629   99.753   18.833 2.127441 25.79622 
1 1 1   62    2   16 o  105.927   12.837  4743.97  1081.56  4468.92  1520.81  5025.45  1538.47  100.355   19.365  106.989   18.372 -6.633842 26.69317 
1 1 1   62    2   17 o  114.159   13.630  5563.16  1238.41  6737.33  1762.45  4418.06  1740.49  123.647   18.090   97.676   22.420 25.97133 28.80798 
1 1 1   62    2   18 f  202.774   12.595 17451.81  2063.46 16989.72  2862.99 17951.33  2976.68  195.504   18.246  200.788   18.465 -5.283371 25.95927 
1 1 1   62    2   19 o  145.887   13.001  9196.56  1523.94  9228.12  2083.97  9160.29  2234.21  141.926   18.526  139.912   20.256 2.014404 27.45015 
1 1 1   62    4    0 o  437.069   23.266 78999.24  8227.01 74126.83 11478.48 84146.32 11797.58  418.993   34.034  447.206   32.717 -28.21265 47.20898 
1 1 1   62    4    1 o  489.123   25.469 99215.94 10080.04 99208.42 14062.43 99223.88 14456.38  484.069   36.036  483.513   37.106 0.5560913 51.72443 
1 1 1   62    4    2 o  122.195   11.637  6140.57  1140.62  7134.17  1452.22  4540.56  1842.85  131.484   13.809  103.029   22.646 28.45485 26.52428 
1 1 1   62    4    3 o  364.721   19.365 54755.46  5714.31 53144.54  7843.88 56577.30  8341.58  356.904   27.274  368.001   28.130 -11.09698 39.18058 
1 1 1   62    4    4 o  328.768   14.253 44155.53  3804.73 42536.12  4719.09 47163.37  6431.42  321.570   18.148  337.176   23.641 -15.60602 29.80338 
1 1 1   62    4    5 f  451.323   16.791 83452.32  6153.29 82887.28  8614.43 84040.93  8792.44  447.149   23.812  450.129   24.145 -2.979980 33.91158 
1 1 1   62    4    6 o  166.052   9.2567 11263.08  1243.11 11163.96  1698.66 11377.39  1824.09  164.860   12.790  166.310   13.628 -1.449631 18.68937 
1 1 1   62    4    7 o  236.126   15.806 22966.06  3012.94 22966.06  3012.94   0.0000   0.0000  236.126   15.806  ?   ?  0.000000 15.80605 
1 1 1   62    4    8 o  170.213   10.192 11864.50  1402.16 12060.89  1936.14 11647.90  2033.33  170.961   14.073  167.785   15.086 3.176071 20.63098 
1 1 1   62    4    9 o   88.081   9.7358  3205.74  684.656  2423.59  923.577  4159.92  1020.10   75.364   15.606   99.927   12.872 -24.56290 20.22978 
1 1 1   62    4   10 o  184.873   10.182 14020.49  1522.55 11704.71  2136.25 16411.35  2170.60  167.572   15.890  199.318   13.491 -31.74648 20.84523 
1 1 1   62    4   11 o  137.354   12.831  7828.02  1414.40  9777.44  3622.13  7477.29  1536.37  147.008   31.304  133.850   14.361 13.15814 34.44123 
1 1 1   62    4   12 o   79.249   11.813  2637.51  736.896  2427.30  1016.42  2870.42  1069.89   74.870   17.095   81.616   16.707 -6.746109 23.90344 
1 1 1   62    4   13 o  202.565   11.043 16925.38  1809.49 16897.39  2576.59 16952.62  2541.76  200.702   15.942  201.135   15.688 -0.4321289 22.36634 
1 1 1   62    4   14 f  240.517   11.850 23894.65  2314.14 22808.06  3288.51 24960.56  3257.09  232.024   17.586  243.331   16.584 -11.30693 24.17234 
1 1 1   62    4   15 o   81.812   13.205  2850.87  847.341  3195.71  1137.72  2421.34  1269.76   85.598   16.969   73.819   20.470 11.77876 26.58892 
1 1 1   62    4   16 o   89.820   13.445  3444.78  950.425  4232.30  1235.27  2302.15  1487.93   98.863   15.929   71.957   22.747 26.90649 27.76994 
1 1 1   62    4   17 o   41.356   15.944  521.673  757.070  703.043  941.471  189.781  1273.57   46.533   17.820   45.830   19.511 0.7035255 26.42394 
1 1 1   62    4   18 o   53.130   17.526  1218.70  877.536  2121.84  1094.51 -406.7173  1468.33   67.869   19.071   43.686   19.672 24.18279 27.39899 
1 1 1   62    4   19 o  102.282   13.907  4599.79  1125.06  5076.61  1489.83  3967.05  1716.22  104.897   18.149   88.965   23.433 15.93115 29.63909 
1 1 1   62    6    0 o  184.652   21.849 14231.74  3212.29   0.0000   0.0000 14231.74  3212.29  ?   ?   184.652   21.849 0.000000 21.84864 
1 1 1   62    6    1 o  396.645   16.869 64425.89  5432.90 48065.72  7236.66 85556.48  8224.33  339.519   26.459  455.646   22.230 -116.1272 34.55801 
1 1 1   62    6    2 o  425.955   33.358 76581.29 11444.97   0.0000   0.0000 76581.29 11444.97  ?   ?   425.955   33.358 0.000000 33.35772 
1 1 1   62    6    3 o  427.305   22.705 75518.51  7849.42 78396.25 10798.59 72294.50 11429.81  432.015   30.990  413.188   34.381 18.82730 46.28628 
1 1 1   62    6    4 o  296.052   17.565 36060.18  4203.41 36060.18  4203.41   0.0000   0.0000  296.052   17.565  ?   ?  0.000000 17.56471 
1 1 1   62    6    5 o  281.411   14.776 32480.46  3364.41 32508.13  3918.90 32402.92  6560.90  281.014   17.259  276.908   29.641 4.106506 34.29907 
1 1 1   62    6    6 o  320.686   14.679 42096.59  3822.13 45643.44  5337.44 38363.42  5475.84  332.223   19.878  303.723   22.361 28.49960 29.91908 
1 1 1   62    6    7 o  680.451   23.375 192570.91 12914.55 196082.20 18222.39 189027.30 18305.75  678.563   33.073  664.608   34.036 13.95532 47.45857 
1 1 1   62    6    8 o  180.384   10.746 13338.96  1566.80 12587.45  1963.25 14657.21  2600.20  174.621   13.963  187.747   17.250 -13.12616 22.19288 
1 1 1   62    6    9 f  127.438   9.6379  6670.34  989.914  6693.11  1338.92  6642.89  1470.16  127.025   13.173  126.235   14.613 0.7901535 19.67450 
1 1 1   62    6   10 o  281.452   11.718 32496.33  2677.96 30466.72  3792.62 34514.41  3781.82  270.335   17.370  288.269   16.223 -17.93365 23.76787 
1 1 1   62    6   11 o  135.985   9.6772  7605.53  1061.54  6603.61  1464.59  8714.41  1540.78  125.575   14.639  144.835   13.249 -19.25943 19.74370 
1 1 1   62    6   12 o   72.613   16.863  2284.87  975.160  2643.54  2996.22  2242.37  1031.31   84.773   31.950   71.826   17.779 12.94742 36.56317 
1 1 1   62    6   13 o  240.588   11.993 23879.39  2342.92 23462.62  3330.26 24287.84  3296.77  235.783   17.520  240.169   17.016 -4.386597 24.42334 
1 1 1   62    6   14 o  336.485   14.191 47166.24  3877.17 45025.63  5514.18 49259.36  5452.65  323.233   21.126  339.253   19.881 -16.01917 29.01009 
1 1 1   62    6   15 o  105.713   11.394  4676.47  962.570  4476.97  1259.03  4957.14  1493.33  102.072   15.694  106.705   17.868 -4.632813 23.78110 
1 1 1   62    6   16 o   37.502   14.513  402.396  629.159  593.706  767.839   11.509  1097.56   42.762   16.160   41.581   17.915 1.180660 24.12697 
1 1 1   62    6   17 o   52.323   16.086  1187.31  749.759  591.537  912.310  2426.93  1315.97   44.585   17.414   72.667   21.073 -28.08212 27.33759 
1 1 1   62    6   18 o   73.837   15.691  2445.85  911.726  1596.23  1105.82  4249.37  1611.13   59.738   19.672   94.717   21.448 -34.97814 29.10306 
1 1 1   62    8    3 o  364.297   29.733 55802.21  8718.26   0.0000   0.0000 55802.21  8718.26  ?   ?   364.297   29.733 0.000000 29.73310 
1 1 1   62    8    4 o  600.406   30.858 151602.09 14992.83 167520.80 21908.05 137579.41 20562.02  620.593   43.757  560.595   45.567 59.99774 63.17493 
1 1 1   62    8    5 o  280.305   13.991 32136.34  3184.38 32051.94  3906.92 32303.38  5496.23  278.866   17.340  277.876   24.615 0.9892273 30.10924 
1 1 1   62    8    6 o  197.889   11.348 16038.08  1815.76 16387.71  2452.88 15614.23  2700.73  199.346   15.270  194.122   17.316 5.223328 23.08742 
1 1 1   62    8    7 o  190.449   10.165 14844.45  1566.16 14627.29  2098.75 15117.35  2352.71  188.408   13.815  191.244   15.279 -2.835800 20.59845 
1 1 1   62    8    8 o  141.050   9.4104  8156.19  1071.57  8230.41  1422.93  8058.96  1628.69  141.167   12.545  139.253   14.623 1.913666 19.26646 
1 1 1   62    8    9 o   33.675   11.945  402.600  409.378  483.682  449.341   6.6236  992.996   36.167   12.538   40.295   17.193 -4.127834 21.27900 
1 1 1   62    8   10 o   62.658   10.975  1655.46  538.032  1623.25  643.782  1730.06  979.789   61.643   13.256   63.602   18.104 -1.959293 22.43863 
1 1 1   62    8   11 o   11.560   5.7615 -564.5752  216.686 -484.9035  228.315 -1287.3890  687.696   12.733   6.2675   22.903   11.191 -10.16996 12.82668 
1 1 1   62    8   12 o   62.613   12.844  1676.13  631.111  1523.66  816.313  1902.66  995.043   59.490   16.380   66.237   18.022 -6.747383 24.35339 
1 1 1   62    8   13 o  129.166   10.216  6898.81  1062.74  6470.58  1433.33  7421.64  1583.78  123.916   14.521  132.673   14.963 -8.757065 20.85073 
1 1 1   62    8   14 o  109.517   10.990  4997.25  964.096  5381.56  1303.35  4532.89  1432.68  112.639   14.594  102.115   17.933 10.52330 23.12103 
1 1 1   62    8   15 o   79.616   12.959  2705.46  808.922  2923.01  1023.70  2343.78  1319.93   81.913   15.965   72.471   21.131 9.442207 26.48390 
1 1 1   62    8   16 o   40.492   15.261  535.076  683.588  874.369  846.953 -99.0285  1157.85   47.976   17.163   41.571   18.151 6.404930 24.98075 
1 1 1   62    8   17 o   32.997   14.156   16.091  679.687 -32.2152  821.935  120.565  1208.77   35.552   15.410   43.964   18.869 -8.412552 24.36240 
1 1 1   62    8   18 f   44.935   16.459  768.808  784.856  285.487  948.780  1816.46  1396.87   40.956   17.103   63.360   22.098 -22.40410 27.94326 
1 1 1   62   10    0 o  255.770   26.119 27459.64  5348.29   0.0000   0.0000 27459.64  5348.29  ?   ?   255.770   26.119 0.000000 26.11950 
1 1 1   62   10    1 o  598.650   46.621 157374.41 22483.03   0.0000   0.0000 157374.41 22483.03  ?   ?   598.650   46.621 0.000000 46.62102 
1 1 1   62   10    2 o  283.080   25.959 33576.29  5900.17   0.0000   0.0000 33576.29  5900.17  ?   ?   283.080   25.959 0.000000 25.95866 
1 1 1   62   10    3 o  340.097   28.634 48700.34  7833.75   0.0000   0.0000 48700.34  7833.75  ?   ?   340.097   28.634 0.000000 28.63443 
1 1 1   62   10    4 o  553.004   29.988 128933.00 13415.11 132356.80 19713.32 125979.90 18308.17  548.223   44.674  536.909   42.339 11.31433 61.55008 
1 1 1   62   10    5 o  156.478   17.012 10180.95  2126.60 12132.18  3829.69  9311.06  2557.07  167.583   29.206  148.400   21.878 19.18262 36.49155 
1 1 1   62   10    6 o  469.936   15.643 90772.38  5968.79 84622.47  7333.02 102846.20 10274.74  451.988   19.981  494.497   25.678 -42.50931 32.53638 
1 1 1   62   10    7 o  251.060   12.951 25912.47  2631.06 29719.91  3593.78 21514.36  3862.50  267.877   16.604  226.247   21.275 41.63008 26.98801 
1 1 1   62   10    8 o  233.886   11.858 22481.77  2244.54 22914.90  3073.82 21987.00  3285.24  234.907   16.215  229.566   17.763 5.340897 24.05078 
1 1 1   62   10    9 o  394.017   15.090 64171.56  4827.65 65250.59  6805.96 63078.89  6848.90  393.279   21.394  386.297   21.926 6.981750 30.63386 
1 1 1   62   10   10 o   75.649   9.9931  2383.63  598.796  2217.52  712.722  2782.26  1104.08   72.394   12.581   80.226   17.446 -7.832001 21.50955 
1 1 1   62   10   11 o  200.078   11.086 16501.23  1793.93 15747.31  2456.59 17362.60  2625.84  193.958   15.734  203.614   16.012 -9.655548 22.44877 
1 1 1   62   10   12 o  292.725   13.333 35488.58  3168.98 36827.64  4492.22 34162.09  4471.08  294.767   18.868  283.422   19.548 11.34515 27.16860 
1 1 1   62   10   13 o  159.596   14.387 10695.41  1844.37 13474.89  5079.67 10273.34  1979.46  164.450   38.689  155.838   15.865 8.612228 41.81501 
1 1 1   62   10   14 o   75.228   11.829  2398.39  698.677  1099.68  847.493  5153.62  1234.41   51.911   17.228  110.225   14.117 -58.31371 22.27284 
1 1 1   62   10   15 o   47.422   15.018  941.558  648.315  1172.75  777.463  413.826  1174.62   52.514   16.420   46.812   19.241 5.702267 25.29468 
1 1 1   62   10   16 o   88.280   11.351  3299.95  794.802  2753.66  995.408  4260.90  1320.19   78.938   16.076   98.200   17.183 -19.26163 23.53097 
1 1 1   62   10   17 o  147.040   11.200  9121.03  1327.09  9092.79  1717.23  9162.89  2091.11  144.816   14.813  142.975   18.443 1.841766 23.65466 
1 1 1   62   10   18 o   32.047   13.677   58.651  628.697   50.095  708.372   90.394  1364.47   33.689   14.452   45.172   19.714 -11.48309 24.44397 
1 1 1   62   12    0 o  450.250   36.901 87267.35 13371.98   0.0000   0.0000 87267.35 13371.98  ?   ?   450.250   36.901 0.000000 36.90084 
1 1 1   62   12    1 o  276.632   26.723 32230.42  5927.64   0.0000   0.0000 32230.42  5927.64  ?   ?   276.632   26.723 0.000000 26.72281 
1 1 1   62   12    2 o  185.962   23.152 14555.87  3420.18   0.0000   0.0000 14555.87  3420.18  ?   ?   185.962   23.152 0.000000 23.15226 
1 1 1   62   12    3 o  315.418   27.773 42040.34  7040.31   0.0000   0.0000 42040.34  7040.31  ?   ?   315.418   27.773 0.000000 27.77281 
1 1 1   62   12    4 o  189.262   18.412 14909.83  2793.68 12091.08  4867.84 16294.20  3411.42  164.262   37.343  197.031   21.682 -32.76849 43.18123 
1 1 1   62   12    5 o  215.178   18.272 19265.21  3162.31 19932.47  5367.52 18910.47  3913.65  213.854   31.886  211.640   23.152 2.213791 39.40475 
1 1 1   62   12    6 o  215.836   18.758 19459.40  3254.66 14358.64  5554.44 22126.42  4016.39  176.713   39.682  229.149   21.851 -52.43570 45.30044 
1 1 1   62   12    7 o  342.046   19.209 48879.01  5313.46 51559.06 10131.90 47862.31  6240.45  338.479   37.495  336.427   22.982 2.052032 43.97837 
1 1 1   62   12    8 o  123.660   14.301  6389.28  1409.45  9490.40  3755.08  5880.74  1520.62  144.320   32.790  118.067   16.296 26.25223 36.61639 
1 1 1   62   12    9 o  226.982   9.6492 21089.85  1778.37 18517.59  2373.31 24383.37  2685.51  211.324   13.909  242.692   13.684 -31.36757 19.51190 
1 1 1   62   12   10 o   51.677   9.4831  1127.53  383.248  1077.55  403.054  1598.90  1237.79   50.372   10.204   62.678   20.821 -12.30521 23.18716 
1 1 1   62   12   11 o  164.807   9.4043 11170.19  1253.25 10328.62  1616.74 12437.26  1983.78  157.604   12.743  172.537   14.289 -14.93271 19.14556 
1 1 1   62   12   12 o  206.157   14.795 17807.80  2460.15 26801.98  3427.28  8247.38  3533.51  252.020   16.846  131.455   33.120 120.5653 37.15759 
1 1 1   62   12   13 o  151.231   15.107  9671.21  1830.21  9811.27  5354.80  9652.68  1947.49  135.620   43.182  150.652   16.174 -15.03197 46.11160 
1 1 1   62   12   14 o   71.911   10.954  2186.60  619.373  2020.27  706.663  2737.87  1286.49   68.495   13.185   78.097   20.153 -9.602531 24.08246 
1 1 1   62   12   15 o   57.014   12.283  1407.78  551.819  951.849  611.821  3396.21  1277.71   47.300   14.530   87.098   18.631 -39.79718 23.62646 
1 1 1   62   12   16 o   87.895   10.694  3266.14  747.484  3346.92  864.889  3027.72  1485.89   88.411   12.388   80.313   22.094 8.097816 25.32987 
1 1 1   62   12   17 o  127.435   10.659  6862.22  1092.78  6410.48  1318.28  7854.45  1953.74  121.682   13.574  131.290   18.870 -9.608223 23.24470 
1 1 1   62   14    0 o  287.789   28.648 35252.92  6605.29   0.0000   0.0000 35252.92  6605.29  ?   ?   287.789   28.648 0.000000 28.64770 
1 1 1   62   14    1 o  365.912   32.071 57461.84  9432.32   0.0000   0.0000 57461.84  9432.32  ?   ?   365.912   32.071 0.000000 32.07069 
1 1 1   62   14    2 o  354.273   30.923 53791.06  8806.08   0.0000   0.0000 53791.06  8806.08  ?   ?   354.273   30.923 0.000000 30.92299 
1 1 1   62   14    3 o  485.135   39.562 104290.90 15448.32   0.0000   0.0000 104290.90 15448.32  ?   ?   485.135   39.562 0.000000 39.56202 
1 1 1   62   14    4 o  385.946   32.722 64761.97 10157.73   0.0000   0.0000 64761.97 10157.73  ?   ?   385.946   32.722 0.000000 32.72209 
1 1 1   62   14    5 o  465.964   26.817 92683.73 10103.44 101184.10 15307.53 86122.13 13449.05  472.883   40.250  438.353   38.167 34.52975 55.46846 
1 1 1   62   14    6 o  184.883   18.923 14386.31  2800.73 13447.36  5072.73 14798.04  3359.12  170.402   37.665  186.133   22.696 -15.73145 43.97460 
1 1 1   62   14    7 o  360.202   23.251 55244.64  6763.87 55966.91 10688.83 54762.24  8735.28  349.180   38.331  352.534   30.827 -3.354156 49.18853 
1 1 1   62   14    8 o  141.802   14.563  8403.45  1652.91 10509.66  4464.80  8068.94  1779.34  149.132   37.039  138.475   16.127 10.65662 40.39801 
1 1 1   62   14    9 f  168.762   14.847 11903.55  2013.76 11715.39  5126.71 11937.88  2189.76  154.790   40.370  168.553   16.200 -13.76283 43.49934 
1 1 1   62   14   10 o  127.494   15.231  6857.22  1545.52 13015.06  4567.29  6060.93  1642.41  165.796   35.025  119.033   17.517 46.76321 39.16080 
1 1 1   62   14   11 o  123.982   15.822  6526.84  1556.51  8515.60  4782.20  6291.19  1646.14  129.980   40.737  121.215   17.208 8.764824 44.22246 
1 1 1   62   14   12 o   61.975   8.8527  1607.14  432.828  1657.81  470.216  1325.99  1107.62   62.826   9.5156   57.483   19.697 5.342384 21.87549 
1 1 1   62   14   13 o   99.636   8.8581  4111.70  709.155  4003.96  812.481  4456.34  1453.10   97.952   10.373  100.719   18.448 -2.766792 21.16463 
1 1 1   62   14   14 o   80.707   9.0781  2717.26  584.575  2408.37  648.388  4058.86  1351.28   75.464   10.897   95.798   18.034 -20.33400 21.07062 
1 1 1   62   14   15 o   98.564   9.2628  4053.33  732.608  3594.76  831.037  5652.48  1551.90   92.141   11.348  113.137   17.455 -20.99557 20.81947 
1 1 1   62   14   16 o   55.462   10.808  1329.79  469.239  1325.86  507.970  1352.64  1225.21   55.141   11.707   57.137   20.620 -1.995453 23.71165 
1 1 1   62   14   17 o   26.815   10.556  186.071  337.447  385.104  348.429 -2822.7119  1354.71   31.623   11.036   29.929   14.830 1.694382 18.48544 
1 1 1   62   16    0 o  117.784   30.400  6176.08  2927.05   0.0000   0.0000  6176.08  2927.05  ?   ?   117.784   30.400 0.000000 30.40001 
1 1 1   62   16    1 o  214.530   26.860 19808.63  4576.21   0.0000   0.0000 19808.63  4576.21  ?   ?   214.530   26.860 0.000000 26.85994 
1 1 1   62   16    2 o  151.554   26.127  9990.77  3099.03   0.0000   0.0000  9990.77  3099.03  ?   ?   151.554   26.127 0.000000 26.12717 
1 1 1   62   16    3 o  420.774   36.146 79018.73 12229.64   0.0000   0.0000 79018.73 12229.64  ?   ?   420.774   36.146 0.000000 36.14629 
1 1 1   62   16    4 f  396.372   34.495 70010.81 10991.26   0.0000   0.0000 70010.81 10991.26  ?   ?   396.372   34.495 0.000000 34.49511 
1 1 1   62   16    5 o  300.323   22.156 38297.11  5364.65 36660.06  8781.82 39271.71  6775.93  281.014   39.584  300.205   28.126 -19.19141 48.55900 
1 1 1   62   16    6 o  327.918   22.715 45867.84  6010.82 47523.08  9722.08 44843.60  7647.65  320.460   38.111  318.706   29.902 1.753632 48.44160 
1 1 1   62   16    7 o  129.947   21.316  7317.61  2171.13  4472.78  4606.30  8130.13  2461.73  104.983   39.603  136.449   23.040 -31.46592 45.81742 
1 1 1   62   16    8 o  146.610   15.268  9029.36  1790.82 13240.64  5046.50  8422.63  1915.49  165.636   38.289  140.952   17.086 24.68411 41.92839 
1 1 1   62   16    9 o  107.435   16.383  4929.56  1383.88  3693.92  4606.09  5052.16  1450.92   98.975   38.987  108.588   17.015 -9.613045 42.53848 
1 1 1   62   16   10 o  107.841   16.821  4992.75  1424.87  5855.89  4891.56  4912.73  1489.46  111.772   41.068  106.610   17.837 5.161438 44.77401 
1 1 1   62   16   11 o   72.425   20.016  2321.57  1216.26  5762.94  4778.99  2083.23  1257.68  109.729   40.546   68.993   20.758 40.73655 45.55080 
1 1 1   62   16   12 o   56.058   20.202  1193.91  1175.40  7077.28  4971.08  845.503  1209.70  116.411   41.588   52.158   20.141 64.25252 46.20819 
1 1 1   62   16   13 f  139.132   17.695  8417.59  1953.76 12493.85  6547.41  8019.15  2047.02  142.285   47.895  134.973   19.221 7.312866 51.60780 
1 1 1   62   16   14 o   42.786   18.370   78.550  1146.26  427.401  5897.99   64.857  1168.54   83.932   38.430   43.029   18.513 40.90325 42.65649 
1 1 1   62   16   15 o  105.374   20.020  5101.97  1650.30 -1218.1780  6225.86  5579.60  1711.52   78.021   36.941  110.432   19.816 -32.41124 41.91993 
1 1 1   62   16   16 o  113.444   21.138  6101.70  1875.45  6655.39  8172.08  6070.92  1926.88   96.485   44.561  112.596   21.865 -16.11092 49.63568 
1 1 1   62   18    3 o  276.736   28.626 33679.84  6339.21   0.0000   0.0000 33679.84  6339.21  ?   ?   276.736   28.626 0.000000 28.62565 
1 1 1   62   18    4 o  127.977   27.086  7339.54  2726.84   0.0000   0.0000  7339.54  2726.84  ?   ?   127.977   27.086 0.000000 27.08603 
1 1 1   62   18    5 o  127.896   23.581  7196.15  2358.59  5335.10  4974.69  7735.79  2678.81  111.188   41.312  131.733   25.967 -20.54556 48.79523 
1 1 1   62   18    6 o  229.930   21.880 22724.54  4035.72 18404.75  7257.18 24658.49  4855.79  188.297   47.477  237.229   25.615 -48.93254 53.94656 
1 1 1   62   18    7 o   72.972   24.691  2210.69  1740.17 -637.5129  4397.47  2739.52  1894.85   76.833   34.364   79.596   25.724 -2.762077 42.92548 
1 1 1   62   18    8 o  156.297   21.581 10642.44  2665.78 14343.93  5789.69  9646.60  3003.05  167.378   42.518  146.391   26.228 20.98737 49.95650 
1 1 1   62   18    9 o  142.684   15.640  8625.04  1782.29  8197.22  5247.06  8680.84  1894.96  126.147   42.874  142.756   16.662 -16.60820 45.99735 
1 1 1   62   18   10 o  227.569   16.282 21939.33  2988.62 22211.49  8012.01 21895.35  3221.11  197.276   49.964  226.521   17.652 -29.24461 52.99076 
1 1 1   62   18   11 o   86.536   24.731  3446.32  1824.56 -6006.3408  5695.80  4527.21  1926.05   69.119   33.408   99.165   24.146 -30.04681 41.22024 
1 1 1   62   18   12 o  196.549   16.811 16609.26  2657.14 14744.76  8105.81 16833.73  2812.54  146.742   53.025  197.260   17.750 -50.51779 55.91684 
1 1 1   62   18   13 o  149.108   17.941  9763.40  2128.48 17210.59  6782.41  8949.83  2241.73  163.669   47.950  141.372   20.095 22.29752 51.99071 
1 1 1   62   18   14 o  116.788   20.245  6246.50  1850.23  323.013  7800.55  6599.62  1904.58   87.332   41.349  120.104   20.250 -32.77228 46.04173 
1 1 1   62   18   15 o   65.546   22.834  1981.59  1491.40 -9356.8770  8031.11  2386.56  1517.80   69.267   34.609   70.532   23.038 -1.265144 41.57545 
1 1 1   62   18   16 o  169.179   19.002 13350.43  2565.08   0.0000   0.0000 13350.43  2565.08  ?   ?   169.179   19.002 0.000000 19.00167 
1 1 1   62   20    0 o  140.615   33.861  9319.66  3819.92   0.0000   0.0000  9319.66  3819.92  ?   ?   140.615   33.861 0.000000 33.86137 
1 1 1   62   20    1 o  157.424   31.387 11412.49  3871.19   0.0000   0.0000 11412.49  3871.19  ?   ?   157.424   31.387 0.000000 31.38677 
1 1 1   62   20    5 o  239.413   28.241 25734.27  5384.26   0.0000   0.0000 25734.27  5384.26  ?   ?   239.413   28.241 0.000000 28.24098 
1 1 1   62   20    6 o   51.663   21.714  300.136  1544.39   0.0000   0.0000  300.136  1544.39  ?   ?    51.663   21.714 0.000000 21.71399 
1 1 1   62   20    7 o  130.767   23.914  7655.41  2445.58  7305.12  5975.18  7725.90  2680.37  120.661   45.188  130.210   26.258 -9.549110 52.26327 
1 1 1   62   20    8 o  123.552   25.561  6974.22  2479.73  3718.82  6112.92  7615.43  2712.98  102.564   43.159  128.552   26.857 -25.98796 50.83292 
1 1 1   62   20    9 o   54.081   18.885  1149.90  1020.40  9452.24  5682.95  873.319  1037.26  130.612   44.618   50.444   18.840 80.16827 48.43240 
1 1 1   62   20   10 o   83.716   18.471  3117.28  1221.89  5088.15  6344.38  3041.36  1245.20  106.027   44.248   82.514   18.981 23.51244 48.14739 
1 1 1   62   20   11 o   79.801   27.485  2894.83  2157.71 -5220.4902  6707.64  3831.51  2278.83   75.585   36.464   89.507   28.132 -13.92211 46.05515 
1 1 1   62   20   12 o   46.766   19.386  405.340  1206.20 -1282.8900  6931.76  458.056  1224.89   83.352   39.316   47.550   19.608 35.80174 43.93478 
1 1 1   62   20   13 o   32.396   15.416 -1243.4420  1111.36 -5503.9028  7242.95 -1140.7150  1124.68   73.923   36.163   33.230   15.724 40.69295 39.43317 
1 1 1   62   20   14 o   51.453   20.885  778.745  1362.46 -13430.3701  8327.89  1169.52  1381.06   66.009   33.284   55.658   21.513 10.35177 39.63134 
1 1 1   62   20   15 o   47.787   20.509  370.022  1427.88   0.0000   0.0000  370.022  1427.88  ?   ?    47.787   20.509 0.000000 20.50920 
1 1 1   62   22    0 o   56.988   25.131 -292.5082  2269.37   0.0000   0.0000 -292.5082  2269.37  ?   ?    56.988   25.131 0.000000 25.13056 
1 1 1   62   22    1 o   73.080   28.473  1780.54  2434.20   0.0000   0.0000  1780.54  2434.20  ?   ?    73.080   28.473 0.000000 28.47261 
1 1 1   62   22    2 o   38.257   18.321 -2097.7920  1622.76   0.0000   0.0000 -2097.7920  1622.76  ?   ?    38.257   18.321 0.000000 18.32053 
1 1 1   62   22    3 o   41.911   19.953 -2154.2429  1866.05   0.0000   0.0000 -2154.2429  1866.05  ?   ?    41.911   19.953 0.000000 19.95308 
1 1 1   62   22    6 o  208.949   55.261 26792.33  9519.43 26792.33  9519.43   0.0000   0.0000  208.949   55.261  ?   ?  0.000000 55.26090 
1 1 1   62   22    7 o  206.270   29.176 19852.94  4750.25   0.0000   0.0000 19852.94  4750.25  ?   ?   206.270   29.176 0.000000 29.17642 
1 1 1   62   22    8 o   49.994   18.362  901.693  977.713   0.0000   0.0000  901.693  977.713  ?   ?    49.994   18.362 0.000000 18.36180 
1 1 1   62   22    9 o  164.934   16.222 11688.21  2144.31 18193.67  8190.54 11209.50  2221.81  163.338   53.526  160.907   17.276 2.430328 56.24495 
1 1 1   62   22   10 o   48.036   18.403  754.170  1004.29 -1772.9200  5988.04  827.311  1018.72   78.534   36.888   49.157   18.605 29.37675 41.31390 
1 1 1   62   22   11 o   64.802   20.866  1884.73  1247.63 -5961.7739  7944.31  2083.15  1263.30   77.614   37.948   67.609   20.897 10.00546 43.32114 
1 1 1   62   22   12 o   63.117   22.422  1744.47  1443.08  5840.16  8587.87  1625.47  1463.89   99.356   45.814   61.831   22.504 37.52548 51.04296 
1 1 1   62   22   13 o   81.684   24.288  3352.96  1729.41   0.0000   0.0000  3352.96  1729.41  ?   ?    81.684   24.288 0.000000 24.28821 
1 1 1   62   22   14 o  130.425   22.750  8432.37  2321.59   0.0000   0.0000  8432.37  2321.59  ?   ?   130.425   22.750 0.000000 22.74964 
1 1 1   62   24    0 o  146.375   36.682 10939.35  4351.00   0.0000   0.0000 10939.35  4351.00  ?   ?   146.375   36.682 0.000000 36.68202 
1 1 1   62   24    1 o  273.065   34.826 36425.90  7545.89   0.0000   0.0000 36425.90  7545.89  ?   ?   273.065   34.826 0.000000 34.82643 
1 1 1   62   24    2 o  362.700   41.490 68469.05 11999.01   0.0000   0.0000 68469.05 11999.01  ?   ?   362.700   41.490 0.000000 41.49015 
1 1 1   62   24    3 o  142.937   37.263 10533.74  4369.07   0.0000   0.0000 10533.74  4369.07  ?   ?   142.937   37.263 0.000000 37.26294 
1 1 1   62   24    4 o  115.538   33.911  6699.66  3389.50   0.0000   0.0000  6699.66  3389.50  ?   ?   115.538   33.911 0.000000 33.91131 
1 1 1   62   24    5 o  137.001   33.363  9388.66  3676.72   0.0000   0.0000  9388.66  3676.72  ?   ?   137.001   33.363 0.000000 33.36277 
1 1 1   62   24    6 o  132.253   51.003 11393.57  7749.26 11393.57  7749.26   0.0000   0.0000  132.253   51.003  ?   ?  0.000000 51.00330 
1 1 1   62   24    7 o   87.609   39.825  758.947  6188.49  758.947  6188.49   0.0000   0.0000   87.609   39.825  ?   ?  0.000000 39.82471 
1 1 1   62   24    8 o   43.917   17.044  581.591  869.639  4128.54  7888.42  537.954  874.972  101.411   45.639   43.410   17.027 58.00181 48.71123 
1 1 1   62   24    9 o   43.170   17.140  504.448  896.736   0.0000   0.0000  504.448  896.736  ?   ?    43.170   17.140 0.000000 17.13960 
1 1 1   62   24   10 o   28.606   13.674 -1111.2500  895.263   0.0000   0.0000 -1111.2500  895.263  ?   ?    28.606   13.674 0.000000 13.67410 
1 1 1   62   24   11 o   98.933   20.672  4613.62  1607.04   0.0000   0.0000  4613.62  1607.04  ?   ?    98.933   20.672 0.000000 20.67155 
1 1 1   62   24   12 o   64.869   23.150  1973.21  1539.94   0.0000   0.0000  1973.21  1539.94  ?   ?    64.869   23.150 0.000000 23.14975 
1 1 1   62   24   13 o  145.640   20.796 10279.94  2389.35   0.0000   0.0000 10279.94  2389.35  ?   ?   145.640   20.796 0.000000 20.79562 
1 1 1   62   26    0 o  171.431   40.234 16182.18  5504.32   0.0000   0.0000 16182.18  5504.32  ?   ?   171.431   40.234 0.000000 40.23439 
1 1 1   62   26    1 o   94.297   35.864  4268.42  3797.19   0.0000   0.0000  4268.42  3797.19  ?   ?    94.297   35.864 0.000000 35.86427 
1 1 1   62   26    2 o   69.275   31.032 -80.7353  3601.02   0.0000   0.0000 -80.7353  3601.02  ?   ?    69.275   31.032 0.000000 31.03215 
1 1 1   62   26    3 o  119.363   39.732  8009.68  4506.58   0.0000   0.0000  8009.68  4506.58  ?   ?   119.363   39.732 0.000000 39.73231 
1 1 1   62   26    4 o  123.326   36.787  8275.73  3962.64   0.0000   0.0000  8275.73  3962.64  ?   ?   123.326   36.787 0.000000 36.78705 
1 1 1   62   26    5 o  119.565   37.396  7939.78  4032.32   0.0000   0.0000  7939.78  4032.32  ?   ?   119.565   37.396 0.000000 37.39619 
1 1 1   62   26    6 o  191.531   35.060 19320.59  5251.50   0.0000   0.0000 19320.59  5251.50  ?   ?   191.531   35.060 0.000000 35.06005 
1 1 1   62   26    7 o   96.546   31.691  4886.75  2870.73 10281.56 10123.89  4415.05  2993.60  114.061   51.482   92.220   32.339 21.84111 60.79634 
1 1 1   62   26    8 o  123.805   20.105  7030.05  1951.74 24491.54 10847.16  6445.82  1984.12  149.548   59.536  117.440   21.603 32.10796 63.33471 
1 1 1   62   26    9 o   98.333   20.642  4557.78  1595.59   0.0000   0.0000  4557.78  1595.59  ?   ?    98.333   20.642 0.000000 20.64170 
1 1 1   62   26   10 o   83.962   40.133  2115.23  7709.18   0.0000   0.0000  2115.23  7709.18  ?   ?    83.962   40.133 0.000000 40.13305 
1 1 1   62   26   11 o  102.792   34.340  6833.11  3365.54   0.0000   0.0000  6833.11  3365.54  ?   ?   102.792   34.340 0.000000 34.33971 
1 1 1   62   28    0 o   84.170   35.317  2979.42  4074.20   0.0000   0.0000  2979.42  4074.20  ?   ?    84.170   35.317 0.000000 35.31671 
1 1 1   62   28    1 o  106.541   39.896  6810.56  4657.35   0.0000   0.0000  6810.56  4657.35  ?   ?   106.541   39.896 0.000000 39.89587 
1 1 1   62   28    2 o  126.773   40.998  9979.14  4812.63   0.0000   0.0000  9979.14  4812.63  ?   ?   126.773   40.998 0.000000 40.99831 
1 1 1   62   28    3 o  107.671   41.059  7224.95  4985.03   0.0000   0.0000  7224.95  4985.03  ?   ?   107.671   41.059 0.000000 41.05881 
1 1 1   62   28    4 o  195.463   44.060 23944.19  6825.53   0.0000   0.0000 23944.19  6825.53  ?   ?   195.463   44.060 0.000000 44.06010 
1 1 1   62   28    5 f  243.617   43.484 36942.64  8286.02   0.0000   0.0000 36942.64  8286.02  ?   ?   243.617   43.484 0.000000 43.48428 
1 1 1   62   28    6 o   60.081   28.060 -1177.7930  3382.38   0.0000   0.0000 -1177.7930  3382.38  ?   ?    60.081   28.060 0.000000 28.05964 
1 1 1   62   28    7 o   54.500   19.768  1245.26  1128.09   0.0000   0.0000  1245.26  1128.09  ?   ?    54.500   19.768 0.000000 19.76771 
1 1 1   62   28    8 o   21.287   10.368 -975.5845  576.850   0.0000   0.0000 -975.5845  576.850  ?   ?    21.287   10.368 0.000000 10.36793 
1 1 1   62   28    9 o   73.074   31.065  2601.76  3220.25   0.0000   0.0000  2601.76  3220.25  ?   ?    73.074   31.065 0.000000 31.06530 
1 1 1   62   30    0 o   78.443   10.851  2640.77  672.612   0.0000   0.0000  2640.77  672.612  ?   ?    78.443   10.851 0.000000 10.85083 
1 1 1   62   30    1 o   29.659   11.443  260.077  390.212   0.0000   0.0000  260.077  390.212  ?   ?    29.659   11.443 0.000000 11.44304 
1 1 1   62   30    2 o   91.324   38.314  5296.12  4794.35   0.0000   0.0000  5296.12  4794.35  ?   ?    91.324   38.314 0.000000 38.31433 
1 1 1   62   30    3 o   97.634   39.437  6697.78  4832.65   0.0000   0.0000  6697.78  4832.65  ?   ?    97.634   39.437 0.000000 39.43662 
1 1 1   62   30    4 o   81.493   34.871  3591.01  4105.60   0.0000   0.0000  3591.01  4105.60  ?   ?    81.493   34.871 0.000000 34.87069 
1 1 1   62   30    5 o   45.116   16.481  809.821  786.180   0.0000   0.0000  809.821  786.180  ?   ?    45.116   16.481 0.000000 16.48118 
1 1 1   62   30    6 o   77.074   34.464  3046.15  4420.28   0.0000   0.0000  3046.15  4420.28  ?   ?    77.074   34.464 0.000000 34.46354 
1 1 1   62   30    7 o   74.772   34.124  2816.05  4600.69   0.0000   0.0000  2816.05  4600.69  ?   ?    74.772   34.124 0.000000 34.12367 
1 1 1   62   30    8 o   64.881   30.605  629.692  4201.03   0.0000   0.0000  629.692  4201.03  ?   ?    64.881   30.605 0.000000 30.60497 
1 1 1   62   32    0 o   69.210   9.3847  2057.57  513.781   0.0000   0.0000  2057.57  513.781  ?   ?    69.210   9.3847 0.000000 9.384676 
1 1 1   62   32    1 f   65.881   32.332 -1834.4449  5933.88   0.0000   0.0000 -1834.4449  5933.88  ?   ?    65.881   32.332 0.000000 32.33229 
1 1 1   62   32    2 f   59.244   29.419 -4627.1699  5443.99   0.0000   0.0000 -4627.1699  5443.99  ?   ?    59.244   29.419 0.000000 29.41949 
1 1 1   62   32    3 f   74.233   34.502  3054.54  5016.81   0.0000   0.0000  3054.54  5016.81  ?   ?    74.233   34.502 0.000000 34.50227 
1 1 1   62   32    4 o  108.837   45.957 15667.97  6970.12   0.0000   0.0000 15667.97  6970.12  ?   ?   108.837   45.957 0.000000 45.95711 
1 1 1   62   32    5 o   64.383   30.955  355.941  4737.34   0.0000   0.0000  355.941  4737.34  ?   ?    64.383   30.955 0.000000 30.95481 
1 1 1   63    1    0 o  343.715   19.649 48663.77  5461.00 48828.49  7683.00 48495.59  7763.68  341.817   27.926  340.499   28.338 1.317383 39.78603 
1 1 1   63    1    1 o  412.165   22.308 70172.58  7438.04 76362.00 10484.12 63900.14 10554.19  426.922   30.444  388.954   33.753 37.96729 45.45453 
1 1 1   63    1    2 o  151.140   12.698  9383.05  1543.88  8477.61  2113.20 10419.61  2261.04  142.590   18.703  158.479   17.884 -15.88924 25.87737 
1 1 1   63    1    3 o  427.461   22.514 75508.82  7786.58 77867.08 10956.97 73102.69 11067.64  430.510   31.565  416.413   33.004 14.09653 45.66842 
1 1 1   63    1    4 o  182.352   11.521 13608.80  1697.15 14158.10  2176.40 12756.51  2710.96  185.577   14.561  175.213   19.380 10.36359 24.24026 
1 1 1   63    1    5 o  336.419   15.545 46313.52  4246.16 47624.48  5347.01 44075.37  6986.52  339.855   19.458  324.673   26.740 15.18192 33.06973 
1 1 1   63    1    6 o  161.076   9.7614 10608.23  1270.66  9724.00  1774.16 11539.47  1820.71  153.528   14.400  167.508   13.501 -13.97987 19.73950 
1 1 1   63    1    7 o  191.139   10.003 14934.56  1546.99 12959.83  2169.55 16977.07  2206.47  177.174   15.229  203.290   13.443 -26.11548 20.31362 
1 1 1   63    1    8 f  233.798   10.686 22320.38  2028.59 22178.63  2846.59 22466.65  2891.65  231.893   15.202  233.364   15.346 -1.471786 21.60136 
1 1 1   63    1    9 o  211.703   12.771 18442.75  2184.93 17657.26  2497.98 21000.69  4507.78  206.603   14.993  221.767   25.498 -15.16360 29.57902 
1 1 1   63    1   10 o   98.181   13.679  4039.69  1060.89  8771.45  2767.63  3224.68  1148.62  142.003   24.912   86.813   16.903 55.18969 30.10511 
1 1 1   63    1   11 o  108.545   10.432  4869.81  908.070  4608.45  1265.47  5147.23  1303.79  104.472   15.378  110.645   14.890 -6.173767 21.40597 
1 1 1   63    1   12 o  107.116   11.011  4759.58  944.005  4762.02  1352.07  4757.27  1318.61  105.855   16.250  105.922   15.816 -0.6671906E-01 22.67640 
1 1 1   63    1   13 o  110.915   11.187  5111.21  993.760  5155.85  1400.83  5065.98  1409.99  110.083   16.152  109.016   16.440 1.067047 23.04716 
1 1 1   63    1   14 o   54.041   16.761  1228.13  811.978  499.396  1141.47  1974.58  1155.27   47.670   19.198   67.390   19.803 -19.71944 27.58093 
1 1 1   63    1   15 o   32.249   14.260 -201.8784  735.688  379.792  973.005 -978.2557  1124.12   43.471   17.648   34.748   16.211 8.723824 23.96302 
1 1 1   63    1   16 o  222.289   12.495 20668.43  2246.13 20970.31  3208.00 20378.12  3145.93  220.435   18.082  217.349   17.988 3.086121 25.50545 
1 1 1   63    1   17 f  163.980   12.610 11352.28  1666.06 12431.18  2380.87 10317.03  2332.21  168.648   17.648  152.482   19.267 16.16632 26.12796 
1 1 1   63    1   18 o  135.603   13.740  7920.46  1491.97 11110.46  2138.85  4897.13  2082.23  158.640   16.863   99.370   25.637 59.26938 30.68566 
1 1 1   63    1   19 o   48.570   18.083  920.289  954.042  1861.28  1364.14   19.365  1334.78   63.184   21.848   44.089   19.363 19.09546 29.19390 
1 1 1   63    3    0 o  383.112   21.068 60560.11  6528.41 54974.28  9116.55 66439.62  9353.14  361.417   31.377  398.499   29.108 -37.08170 42.79937 
1 1 1   63    3    1 o  265.553   16.253 28961.10  3487.71 29480.75  4801.02 28380.43  5075.11  266.583   22.387  261.055   24.219 5.528015 32.98081 
1 1 1   63    3    2 o  224.656   14.233 20695.98  2582.94 19047.58  3504.98 22655.16  3821.12  214.338   20.385  233.931   20.319 -19.59319 28.78202 
1 1 1   63    3    3 o  572.257   29.256 136750.70 13548.53 137556.30 18971.77 135912.30 19355.01  566.059   41.568  561.774   42.753 4.284668 59.62951 
1 1 1   63    3    4 o   98.978   10.501  4035.64  831.030  3115.25  1023.87  5812.59  1422.65   86.033   15.213  118.280   15.162 -32.24648 21.47888 
1 1 1   63    3    5 o  463.360   16.236 87940.97  6108.65 83405.15  8564.22 92638.61  8715.65  448.472   23.602  473.598   22.665 -25.12616 32.72210 
1 1 1   63    3    6 o  361.852   14.354 53567.33  4217.36 51533.49  5908.45 55679.84  6021.66  352.885   20.711  366.990   20.287 -14.10559 28.99165 
1 1 1   63    3    7 o  241.976   11.954 23918.77  2348.69 24490.65  2975.20 22972.96  3826.17  243.953   15.094  234.972   20.252 8.981064 25.25839 
1 1 1   63    3    8 o  319.202   13.216 41745.72  3425.26 41323.69  4818.35 42176.88  4870.16  315.558   18.892  318.807   18.898 -3.249725 26.72180 
1 1 1   63    3    9 o  195.759   10.489 15710.33  1661.11 14446.40  2332.43 17011.21  2366.26  186.598   15.536  202.863   14.460 -16.26538 21.22381 
1 1 1   63    3   10 o  405.385   15.602 67927.10  5135.42 63887.46  7282.00 71923.95  7243.33  388.377   23.198  413.238   21.663 -24.86075 31.73982 
1 1 1   63    3   11 o   83.398   15.880  2974.47  1036.09  1084.70  2685.76  3304.88  1123.02   71.500   29.207   87.910   16.334 -16.41064 33.46405 
1 1 1   63    3   12 o  101.968   10.814  4315.10  881.683  3686.33  1235.17  4968.30  1258.95   92.645   17.048  108.586   14.653 -15.94104 22.47994 
1 1 1   63    3   13 f  266.823   12.089 29369.18  2619.16 28643.87  3716.25 30085.03  3691.97  260.642   17.664  267.460   17.090 -6.818481 24.57813 
1 1 1   63    3   14 o  170.637   10.974 12048.86  1512.34 10731.60  2165.79 13302.40  2112.76  158.867   17.057  178.011   14.750 -19.14389 22.54981 
1 1 1   63    3   15 o   92.779   14.114  3671.86  1029.73  3658.72  1479.86  3684.19  1433.76   90.492   20.603   91.022   19.950 -0.5306396 28.67871 
1 1 1   63    3   16 o  172.997   11.940 12513.92  1666.87 12545.98  2327.04 12480.13  2388.80  170.720   17.014  169.956   17.564 0.7640228 24.45310 
1 1 1   63    3   17 o   66.918   17.013  2005.46  926.407  1829.29  1200.40  2264.92  1456.79   64.154   20.447   70.595   22.528 -6.441208 30.42370 
1 1 1   63    3   18 o  135.421   13.123  7867.77  1424.83  8515.82  1929.40  7090.41  2113.15  138.107   17.606  122.861   21.990 15.24598 28.16952 
1 1 1   63    5    0 o  341.766   14.179 47718.15  3934.67 45976.33  4647.72 52124.61  7392.36  334.558   17.167  353.737   25.918 -19.17926 31.08764 
1 1 1   63    5    1 o  154.071   12.363  9744.32  1533.56  9286.48  1941.99 10502.86  2499.65  149.775   16.228  158.690   19.833 -8.914841 25.62586 
1 1 1   63    5    2 o  166.241   12.301 11333.42  1648.62 11603.49  2091.91 10890.73  2678.26  167.729   15.537  161.397   20.930 6.332001 26.06618 
1 1 1   63    5    3 o  351.622   19.664 50962.71  5591.68 55391.88  7629.46 45822.48  8219.09  364.646   25.937  329.624   31.076 35.02179 40.47785 
1 1 1   63    5    4 o  246.489   13.045 24873.32  2601.60 24308.65  3223.41 25928.48  4406.35  243.072   16.429  249.820   21.945 -6.747406 27.41325 
1 1 1   63    5    5 o  252.241   11.039 25942.84  2260.99 23979.72  3092.83 28196.25  3313.62  241.449   15.864  261.942   15.651 -20.49312 22.28526 
1 1 1   63    5    6 o  197.884   11.558 16035.64  1849.00 14678.87  2101.90 20678.04  3888.04  188.942   13.796  222.589   21.792 -33.64680 25.79188 
1 1 1   63    5    7 o  387.174   16.270 61611.73  5114.80 62820.54  7192.65 60375.13  7274.89  387.996   22.933  379.998   23.696 7.997650 32.97600 
1 1 1   63    5    8 f  438.896   18.388 79695.95  6552.81 79047.39  8157.27 80875.91 11002.70  434.136   23.225  433.429   31.479 0.7070007 39.11927 
1 1 1   63    5    9 o  234.276   10.932 22461.32  2079.58 22171.16  2921.85 22759.19  2960.46  231.293   15.650  234.354   15.648 -3.060989 22.13106 
1 1 1   63    5   10 o  260.314   11.538 27795.37  2438.67 25907.47  3453.17 29673.73  3444.44  249.225   17.169  267.278   15.944 -18.05313 23.43051 
1 1 1   63    5   11 o   94.506   11.193  3715.41  842.181  4043.26  1156.51  3345.27  1228.82   97.757   15.053   88.071   17.796 9.686028 23.30882 
1 1 1   63    5   12 o  134.829   10.285  7500.43  1117.50  7284.99  1558.22  7728.59  1603.53  131.738   14.825  135.746   14.788 -4.007645 20.93908 
1 1 1   63    5   13 o  229.506   11.772 21776.21  2186.28 20743.58  3103.87 22793.03  3080.00  221.644   17.386  232.881   16.393 -11.23718 23.89588 
1 1 1   63    5   14 o   66.937   14.057  1932.25  739.666  1199.42  965.885  2971.41  1150.18   54.587   18.396   82.416   17.715 -27.82920 25.53841 
1 1 1   63    5   15 o  347.762   14.848 50769.52  4192.74 47771.94  5965.36 53695.95  5894.14  329.904   22.402  351.708   20.731 -21.80344 30.52284 
1 1 1   63    5   16 o   37.017   14.870  302.444  682.993  775.808  856.522 -524.1134  1131.82   46.664   17.179   37.774   17.117 8.889809 24.25065 
1 1 1   63    5   17 o   35.696   14.926  154.725  723.988   48.154  867.937  398.488  1312.67   37.384   16.016   48.138   20.111 -10.75340 25.70942 
1 1 1   63    5   18 o   32.865   14.305 -48.4813  714.207  567.333  840.423 -1649.3470  1355.04   42.813   16.716   34.723   16.658 8.090000 23.59905 
1 1 1   63    7    0 o  479.775   37.882 98377.73 14637.23   0.0000   0.0000 98377.73 14637.23  ?   ?   479.775   37.882 0.000000 37.88179 
1 1 1   63    7    1 o  229.341   23.265 21941.08  4272.42   0.0000   0.0000 21941.08  4272.42  ?   ?   229.341   23.265 0.000000 23.26524 
1 1 1   63    7    4 o  197.164   11.964 15920.02  1906.26 16913.42  2307.56 13785.28  3382.70  202.913   14.093  181.058   23.568 21.85458 27.46037 
1 1 1   63    7    5 f  122.094   9.6008  6110.75  944.105  6193.02  1199.94  5977.07  1529.62  122.556   12.221  119.683   16.153 2.872856 20.25529 
1 1 1   63    7    6 o  238.902   10.560 23285.14  2048.44 21162.70  2790.46 25765.51  3016.59  226.657   15.251  250.265   14.913 -23.60834 21.33029 
1 1 1   63    7    7 o  235.899   10.978 22734.54  2102.77 21788.55  2890.01 23798.73  3065.26  229.702   15.587  240.051   15.815 -10.34924 22.20536 
1 1 1   63    7    8 o   20.708   9.3428 -177.3086  333.002 -340.3517  382.110  337.529  679.004   20.532   9.5361   37.959   14.964 -17.42615 17.74403 
1 1 1   63    7    9 o  156.305   10.430 10040.48  1316.10  9463.72  1630.06 11120.54  2230.65  151.120   13.424  162.942   17.116 -11.82196 21.75233 
1 1 1   63    7   10 o  284.753   12.672 33355.32  2930.00 31071.54  4130.27 35668.92  4157.14  272.111   18.809  292.205   17.604 -20.09448 25.76176 
1 1 1   63    7   11 o   99.766   10.150  4120.52  810.776  4758.04  1042.14  3142.93  1290.49  106.848   12.233   84.953   19.165 21.89465 22.73573 
1 1 1   63    7   12 o   59.101   18.183  1473.78  957.755  1049.34  3562.25  1506.85  994.369   78.244   32.937   59.813   18.548 18.43074 37.80029 
1 1 1   63    7   13 o  189.779   10.598 14863.17  1626.50 13225.48  2232.04 16717.43  2375.04  177.266   15.669  199.832   14.742 -22.56564 21.51337 
1 1 1   63    7   14 o  213.825   11.521 18955.30  1992.89 16726.79  2752.91 21409.12  2888.73  198.261   17.273  225.223   15.898 -26.96204 23.47617 
1 1 1   63    7   15 o   81.128   12.650  2801.33  806.096  2236.83  1004.32  3823.48  1351.43   71.120   17.509   93.046   18.539 -21.92576 25.50002 
1 1 1   63    7   16 o   96.587   12.166  3953.48  932.961  3039.69  1183.00  5456.83  1517.37   82.460   18.160  111.605   17.305 -29.14575 25.08437 
1 1 1   63    7   17 o   37.773   15.350  301.053  737.092  106.813  913.855  662.677  1246.91   38.798   16.523   49.719   20.050 -10.92118 25.98066 
1 1 1   63    7   18 o  162.863   12.406 11343.10  1628.22 10174.03  2143.16 12939.02  2504.03  150.177   17.930  168.946   18.560 -18.76958 25.80603 
1 1 1   63    9    0 o  340.712   29.899 48953.30  8187.83   0.0000   0.0000 48953.30  8187.83  ?   ?   340.712   29.899 0.000000 29.89895 
1 1 1   63    9    1 o  411.793   33.441 71973.88 11084.77   0.0000   0.0000 71973.88 11084.77  ?   ?   411.793   33.441 0.000000 33.44081 
1 1 1   63    9    2 o  213.645   22.740 19074.84  3884.09   0.0000   0.0000 19074.84  3884.09  ?   ?   213.645   22.740 0.000000 22.73969 
1 1 1   63    9    3 o  262.333   24.502 28795.39  5158.57   0.0000   0.0000 28795.39  5158.57  ?   ?   262.333   24.502 0.000000 24.50161 
1 1 1   63    9    4 o  144.345   17.694  8687.47  2030.35 11595.21  3926.90  7626.55  2372.00  163.548   30.698  133.971   22.610 29.57675 38.12643 
1 1 1   63    9    5 o  270.937   11.620 29980.01  2556.27 26918.82  3087.90 36646.46  4556.86  255.815   14.931  297.510   18.962 -41.69429 24.13526 
1 1 1   63    9    6 o  174.700   11.477 12526.67  1618.96 13656.81  2116.05 10931.22  2514.20  181.886   14.447  161.403   19.586 20.48326 24.33760 
1 1 1   63    9    7 o  213.397   12.166 18710.93  2099.31 20720.81  2847.29 16316.90  3107.50  223.721   15.775  197.293   19.660 26.42807 25.20665 
1 1 1   63    9    8 o  192.679   9.5404 15167.96  1492.58 14007.15  2003.79 16614.82  2237.08  184.104   13.499  200.508   13.825 -16.40408 19.32226 
1 1 1   63    9    9 o  364.384   14.052 54751.93  4157.67 53196.89  5855.04 56333.58  5904.94  355.638   20.361  366.265   19.931 -10.62708 28.49182 
1 1 1   63    9   10 o  264.897   12.318 28873.72  2649.47 28630.72  3715.92 29125.01  3778.70  261.425   17.608  263.613   17.757 -2.187622 25.00742 
1 1 1   63    9   11 o  192.612   11.306 15305.15  1760.44 15039.97  2421.86 15602.24  2563.44  189.473   15.889  192.761   16.538 -3.287399 22.93404 
1 1 1   63    9   12 o  144.214   10.455  8590.77  1215.97  9144.65  1613.95  7863.61  1849.25  147.964   13.585  135.977   17.129 11.98683 21.86263 
1 1 1   63    9   13 o  145.595   10.584  8773.95  1242.66  9226.74  1674.57  8219.00  1853.85  148.259   14.079  138.896   16.778 9.363342 21.90272 
1 1 1   63    9   14 o   53.221   14.603  1224.39  650.106  721.448  795.305  2237.22  1128.60   45.293   16.572   71.082   19.132 -25.78856 25.31124 
1 1 1   63    9   15 o   78.377   12.854  2627.11  789.679  2997.20  969.700  1898.44  1360.65   83.187   14.904   66.277   21.821 16.91014 26.42493 
1 1 1   63    9   16 o  236.989   12.510 23626.11  2398.77 21760.49  3353.49 25580.85  3432.65  222.677   18.721  242.619   17.543 -19.94232 25.65617 
1 1 1   63    9   17 o  261.120   13.343 29071.72  2819.65 28166.36  3988.71 29976.06  3986.46  249.980   19.813  258.808   19.105 -8.827988 27.52421 
1 1 1   63    9   18 o   56.436   16.275  1450.09  786.857  1355.93  929.985  1687.34  1476.20   55.012   18.037   61.682   22.576 -6.670082 28.89644 
1 1 1   63   11    0 o  159.378   25.257 10810.94  3159.54   0.0000   0.0000 10810.94  3159.54  ?   ?   159.378   25.257 0.000000 25.25725 
1 1 1   63   11    1 o  486.119   38.994 102275.50 15261.88   0.0000   0.0000 102275.50 15261.88  ?   ?   486.119   38.994 0.000000 38.99404 
1 1 1   63   11    2 o  424.434   34.421 77105.27 11760.10   0.0000   0.0000 77105.27 11760.10  ?   ?   424.434   34.421 0.000000 34.42067 
1 1 1   63   11    3 o  415.573   33.751 73971.45 11290.13   0.0000   0.0000 73971.45 11290.13  ?   ?   415.573   33.751 0.000000 33.75063 
1 1 1   63   11    4 o   22.786   11.381 -2329.4929  865.266   0.0000   0.0000 -2329.4929  865.266  ?   ?    22.786   11.381 0.000000 11.38130 
1 1 1   63   11    5 o  110.567   19.626  5206.83  1697.47  4979.10  3387.10  5283.21  1961.58  107.737   34.348  110.693   22.589 -2.956108 41.11021 
1 1 1   63   11    6 o  228.927   17.870 21814.73  3295.39 26873.51  5635.27 19185.80  4062.39  249.900   28.269  212.492   23.964 37.40764 37.05952 
1 1 1   63   11    7 o  179.880   15.071 13433.69  2180.98 14878.99  4798.18 13057.31  2448.55  182.047   33.702  176.710   17.286 5.337204 37.87636 
1 1 1   63   11    8 o  140.794   8.4669  8122.17  963.433  7265.81  1194.98  9712.60  1628.52  132.664   11.198  153.068   13.233 -20.40414 17.33539 
1 1 1   63   11    9 o  107.006   8.5844  4708.27  739.580  4210.42  894.312  5785.40  1315.45  100.698   11.123  117.565   14.059 -16.86645 17.92739 
1 1 1   63   11   10 f  310.745   14.520 40012.81  3663.67 38395.42  4543.12 43020.73  6195.55  301.923   18.623  315.698   24.358 -13.77463 30.66128 
1 1 1   63   11   11 o  132.639   8.9873  7237.77  962.202  5535.76  1195.38 10369.90  1621.60  115.012   13.030  157.933   12.754 -42.92079 18.23345 
1 1 1   63   11   12 o  124.140   9.9383  6371.52  993.358  6641.02  1254.07  5917.67  1627.43  126.136   12.405  117.363   17.622 8.773087 21.55057 
1 1 1   63   11   13 o  111.725   16.329  5353.93  1437.56  8213.78  4674.06  5055.14  1510.79  126.351   40.356  107.954   17.860 18.39615 44.13150 
1 1 1   63   11   14 o   95.443   10.226  3801.86  780.143  4250.96  933.920  2764.88  1419.14  100.593   11.650   78.281   21.615 22.31193 24.55481 
1 1 1   63   11   15 o   57.837   12.599  1450.80  574.951  2161.16  669.467 -545.7098  1122.34   71.068   12.031   37.387   16.981 33.68153 20.81129 
1 1 1   63   11   16 o   72.718   12.237  2277.34  696.889  1896.01  795.317  3538.27  1446.21   65.331   15.267   87.449   20.690 -22.11832 25.71358 
1 1 1   63   11   17 f  181.628   11.231 13945.20  1648.18 11643.08  2139.41 17306.32  2585.07  162.258   16.467  198.317   16.195 -36.05931 23.09621 
1 1 1   63   13    0 o  622.530   50.782 177066.30 25445.47   0.0000   0.0000 177066.30 25445.47  ?   ?   622.530   50.782 0.000000 50.78230 
1 1 1   63   13    1 o  329.614   29.889 46306.42  7912.49   0.0000   0.0000 46306.42  7912.49  ?   ?   329.614   29.889 0.000000 29.88949 
1 1 1   63   13    2 o  230.411   24.899 22448.53  4584.26   0.0000   0.0000 22448.53  4584.26  ?   ?   230.411   24.899 0.000000 24.89938 
1 1 1   63   13    3 o   79.331   24.879  2626.80  1783.31   0.0000   0.0000  2626.80  1783.31  ?   ?    79.331   24.879 0.000000 24.87856 
1 1 1   63   13    4 o  205.027   23.566 17829.21  3851.78   0.0000   0.0000 17829.21  3851.78  ?   ?   205.027   23.566 0.000000 23.56577 
1 1 1   63   13    5 o  199.848   18.704 16720.57  2999.76 18620.02  5305.77 15828.14  3636.81  204.928   33.008  192.632   23.755 12.29620 40.66700 
1 1 1   63   13    6 o  317.115   21.272 42351.20  5445.65 45662.99  8748.15 40256.03  6958.17  320.602   34.130  304.885   28.435 15.71671 44.42362 
1 1 1   63   13    7 o  162.427   18.939 11158.55  2450.82  5650.79  4722.48 13188.74  2867.16  114.187   40.562  176.212   20.417 -62.02525 45.41071 
1 1 1   63   13    8 o  159.672   14.632 10631.80  1875.91 17684.71  4759.29  9334.51  2041.16  198.914   30.435  148.759   17.217 50.15460 34.96741 
1 1 1   63   13    9 o  387.444   20.146 63531.26  6315.78 67727.28 12357.75 62047.76  7347.91  377.213   41.008  379.712   23.955 -2.499603 47.49219 
1 1 1   63   13   10 f   45.954   17.868  582.548  957.165  227.738  3583.01  609.815  993.262   73.973   32.119   46.849   18.206 27.12367 36.92008 
1 1 1   63   13   11 o  126.286   8.5018  6560.18  866.702  5437.96  1031.07  9262.59  1600.02  114.334   11.252  148.878   13.379 -34.54427 17.48156 
1 1 1   63   13   12 o  128.671   9.1087  6830.55  945.491  6358.79  1159.93  7764.67  1632.19  123.476   11.709  135.443   15.098 -11.96701 19.10677 
1 1 1   63   13   13 o   89.826   9.1211  3351.09  656.031  3111.35  741.527  4214.58  1407.32   86.114   10.846   97.962   18.368 -11.84766 21.33072 
1 1 1   63   13   14 o   63.548   10.592  1715.10  527.319  1518.27  581.536  2625.45  1250.67   59.266   12.479   76.287   19.961 -17.02068 23.54038 
1 1 1   63   13   15 o   64.935   10.581  1795.65  538.662  1700.68  585.878  2314.62  1369.59   62.791   11.927   71.193   21.716 -8.401772 24.77592 
1 1 1   63   13   16 o  124.610   9.9227  6510.03  995.646  5561.37  1177.53  8889.26  1864.81  113.833   12.971  142.089   16.469 -28.25606 20.96378 
1 1 1   63   13   17 o   44.518   12.667  872.196  479.727  810.535  507.905  1382.11  1460.58   43.185   13.234   58.245   22.221 -15.06030 25.86358 
1 1 1   63   15    0 o   98.833   30.012  4230.84  2620.18   0.0000   0.0000  4230.84  2620.18  ?   ?    98.833   30.012 0.000000 30.01180 
1 1 1   63   15    1 o  281.718   28.590 34121.73  6449.20   0.0000   0.0000 34121.73  6449.20  ?   ?   281.718   28.590 0.000000 28.58988 
1 1 1   63   15    2 o  121.007   26.925  6443.33  2577.28   0.0000   0.0000  6443.33  2577.28  ?   ?   121.007   26.925 0.000000 26.92510 
1 1 1   63   15    3 o  213.191   24.884 19458.41  4226.46   0.0000   0.0000 19458.41  4226.46  ?   ?   213.191   24.884 0.000000 24.88395 
1 1 1   63   15    4 o  350.627   31.269 53849.19  8808.89   0.0000   0.0000 53849.19  8808.89  ?   ?   350.627   31.269 0.000000 31.26933 
1 1 1   63   15    5 o  250.587   20.516 26513.17  4137.73 27058.51  7071.57 26229.27  5102.35  243.289   36.960  246.488   25.880 -3.199036 45.12051 
1 1 1   63   15    6 o  160.355   20.050 10953.18  2553.57 10137.89  4947.56 11249.23  2981.36  145.347   40.443  161.199   23.467 -15.85182 46.75816 
1 1 1   63   15    7 o  122.458   21.732  6522.43  2081.69  8908.22  4842.17  5981.51  2305.62  135.785   40.702  115.967   25.205 19.81812 47.87445 
1 1 1   63   15    8 o   68.187   19.017  2016.14  1092.56  3536.85  3913.68  1887.61  1137.80   95.773   36.414   66.307   19.697 29.46587 41.39987 
1 1 1   63   15    9 o  248.401   16.058 25870.46  3221.54 33498.68  7466.90 24125.74  3571.00  267.976   35.166  238.569   18.581 29.40712 39.77295 
1 1 1   63   15   10 o  325.615   18.494 44979.81  4869.37 51635.01 10453.82 43135.75  5502.79  324.259   40.595  316.441   21.545 7.818176 45.95766 
1 1 1   63   15   11 o   98.655   18.429  4250.79  1421.93 12090.28  4988.04  3557.37  1483.48  153.990   39.654   89.344   20.833 64.64620 44.79337 
1 1 1   63   15   12 o   40.203   17.324 -16.7564  1026.58 -12021.1797  4604.96  611.037  1053.09   50.324   25.294   47.381   18.649 2.943546 31.42540 
1 1 1   63   15   13 o  112.144   19.579  5578.90  1717.92  9234.85  5984.04  5250.53  1793.41  126.031   45.557  107.962   21.215 18.06918 50.25408 
1 1 1   63   15   14 o   54.104   20.695  1005.08  1268.82  1968.99  5904.54  958.416  1299.17   89.464   39.930   53.897   20.856 35.56618 45.04863 
1 1 1   63   15   15 o   84.106   9.2209  2966.81  619.382  2972.99  680.605  2937.01  1494.27   83.899   10.201   78.820   22.331 5.078674 24.55017 
1 1 1   63   15   16 o   82.904   9.5827  2905.70  633.180  2864.30  687.751  3135.97  1621.95   81.955   10.582   79.799   23.469 2.155396 25.74419 
1 1 1   63   17    0 o  105.811   31.611  5006.44  2924.29   0.0000   0.0000  5006.44  2924.29  ?   ?   105.811   31.611 0.000000 31.61083 
1 1 1   63   17    1 o  195.332   27.918 16722.15  4301.86   0.0000   0.0000 16722.15  4301.86  ?   ?   195.332   27.918 0.000000 27.91760 
1 1 1   63   17    2 o  132.484   28.080  7836.43  2926.86   0.0000   0.0000  7836.43  2926.86  ?   ?   132.484   28.080 0.000000 28.08027 
1 1 1   63   17    3 f  170.752   25.856 12750.25  3472.60   0.0000   0.0000 12750.25  3472.60  ?   ?   170.752   25.856 0.000000 25.85590 
1 1 1   63   17    4 o  275.262   28.140 33246.13  6200.96   0.0000   0.0000 33246.13  6200.96  ?   ?   275.262   28.140 0.000000 28.13997 
1 1 1   63   17    5 o  239.761   20.902 24477.84  4028.37 30649.98  7184.92 21648.09  4864.95  258.307   35.171  221.590   27.640 36.71721 44.73236 
1 1 1   63   17    6 o   66.972   24.267  1671.29  1699.42  6224.65  4151.80  754.856  1862.60  115.465   38.122   59.918   24.382 55.54791 45.25212 
1 1 1   63   17    7 o  161.153   21.232 11222.09  2710.53 12061.61  5577.45 10962.50  3101.40  154.443   42.928  157.433   25.105 -2.989624 49.73050 
1 1 1   63   17    8 o  112.687   21.976  5607.62  1938.51  3322.41  4972.41  6017.18  2105.06   98.364   39.908  116.392   23.089 -18.02841 46.10572 
1 1 1   63   17    9 o   60.282   18.850  1541.68  1024.62  3351.49  4696.14  1451.22  1049.92   96.506   38.913   59.028   19.155 37.47820 43.37180 
1 1 1   63   17   10 o  149.118   16.054  9450.83  1913.18 12725.68  6134.73  9098.02  2013.60  152.112   45.863  145.736   17.358 6.375717 49.03750 
1 1 1   63   17   11 o  204.809   22.153 18506.58  3625.35 12370.80  7789.42 20203.20  4096.02  141.632   51.857  212.514   24.167 -70.88243 57.21155 
1 1 1   63   17   12 o  273.931   18.379 32423.81  4064.16 27232.69 10237.17 33395.05  4428.07  195.997   59.279  276.649   19.845 -80.65207 62.51222 
1 1 1   63   17   13 o   59.025   21.268  1391.54  1302.74 -828.1836  6237.81  1492.77  1332.11   82.489   38.384   60.487   21.537 22.00134 44.01302 
1 1 1   63   17   14 o  137.920   18.148  8459.72  1983.02  4969.88  7935.73  8692.15  2047.99  100.053   45.331  139.577   18.529 -39.52431 48.97150 
1 1 1   63   17   15 o   96.016   21.053  4366.26  1596.07  2301.07  8126.11  4449.13  1627.77   88.687   42.052   96.795   21.290 -8.108536 47.13437 
1 1 1   63   17   16 o   61.993   22.982  1738.07  1537.88   0.0000   0.0000  1738.07  1537.88  ?   ?    61.993   22.982 0.000000 22.98218 
1 1 1   63   19    3 o  183.011   27.444 14917.99  3952.47   0.0000   0.0000 14917.99  3952.47  ?   ?   183.011   27.444 0.000000 27.44438 
1 1 1   63   19    4 f  244.311   28.159 26581.01  5483.72   0.0000   0.0000 26581.01  5483.72  ?   ?   244.311   28.159 0.000000 28.15899 
1 1 1   63   19    5 o  178.686   26.872 14258.25  3778.13   0.0000   0.0000 14258.25  3778.13  ?   ?   178.686   26.872 0.000000 26.87233 
1 1 1   63   19    6 o  222.885   23.116 21648.83  4122.54 15198.90  7730.88 24211.74  4873.25  164.172   51.844  233.681   26.131 -69.50876 58.05753 
1 1 1   63   19    7 o   71.270   24.254  2115.94  1679.17  2558.56  5014.24  2060.03  1782.06   94.024   39.297   71.215   24.952 22.80878 46.54919 
1 1 1   63   19    8 o  165.213   21.974 11978.66  2874.61 16067.86  6644.59 11037.08  3188.43  171.439   46.539  156.208   26.056 15.23125 53.33671 
1 1 1   63   19    9 o  114.908   17.990  5733.51  1623.44  639.040  6159.92  6113.77  1682.93   90.675   40.605  118.714   18.026 -28.03864 44.42614 
1 1 1   63   19   10 o  165.637   16.219 11718.55  2153.40 15903.89  7304.51 11320.19  2253.55  161.311   50.312  162.187   17.383 -0.8764038 53.23081 
1 1 1   63   19   11 o   98.919   28.282  4715.64  2385.62  6228.11  6738.52  4498.91  2550.82  110.078   45.742   96.327   29.681 13.75070 54.52747 
1 1 1   63   19   12 o   41.153   17.877 -38.6649  1110.94  2250.26  6631.48 -104.7577  1126.86   92.664   41.760   40.857   17.871 51.80751 45.42334 
1 1 1   63   19   13 o  103.106   22.956  5030.49  1872.47  6262.39  8069.64  4960.38  1925.01  103.576   46.422  101.902   23.711 1.672981 52.12657 
1 1 1   63   19   14 o   64.797   22.721  1902.31  1477.77 -6603.4888  8154.51  2191.14  1502.65   73.927   36.587   68.358   22.945 5.569138 43.18631 
1 1 1   63   19   15 o   79.955   22.842  3204.20  1556.76   0.0000   0.0000  3204.20  1556.76  ?   ?    79.955   22.842 0.000000 22.84184 
1 1 1   63   21    0 o  174.865   32.429 14330.72  4434.91   0.0000   0.0000 14330.72  4434.91  ?   ?   174.865   32.429 0.000000 32.42928 
1 1 1   63   21    1 o  244.800   32.237 27750.55  6251.83   0.0000   0.0000 27750.55  6251.83  ?   ?   244.800   32.237 0.000000 32.23664 
1 1 1   63   21    5 o   97.069   30.153  4376.22  2626.59   0.0000   0.0000  4376.22  2626.59  ?   ?    97.069   30.153 0.000000 30.15279 
1 1 1   63   21    6 o  271.276   30.763 34172.14  6656.35   0.0000   0.0000 34172.14  6656.35  ?   ?   271.276   30.763 0.000000 30.76341 
1 1 1   63   21    7 o  195.748   24.572 17170.65  3819.41 17348.29  8088.59 17119.68  4332.89  167.669   53.039  192.395   28.607 -24.72615 60.26174 
1 1 1   63   21    8 o  222.725   24.199 22251.97  4305.88 19032.79  8432.90 23387.25  5007.92  172.056   54.124  224.888   28.034 -52.83257 60.95315 
1 1 1   63   21    9 o   44.203   17.358  540.107  910.393  4791.28  5232.42  407.394  924.494  101.749   41.058   42.776   17.259 58.97329 44.53760 
1 1 1   63   21   10 o  183.953   16.900 14618.63  2495.98 22419.54  8896.82 13952.19  2600.42  177.851   55.535  178.863   18.157 -1.012131 58.42789 
1 1 1   63   21   11 o   76.627   27.815  2636.49  2234.20  3896.72  7747.04  2522.17  2333.34   99.175   44.874   75.946   28.278 23.22832 53.04087 
1 1 1   63   21   12 o  161.931   18.540 11714.41  2393.77 11678.08  9694.29 11716.77  2470.26  116.335   51.588  161.407   19.227 -45.07236 55.05451 
1 1 1   63   21   13 o   53.656   21.743  879.306  1474.14 -64.5793  8871.66  906.106  1494.93   85.043   41.246   54.113   21.907 30.92974 46.70252 
1 1 1   63   21   14 o   77.731   25.432  3136.40  1849.35   0.0000   0.0000  3136.40  1849.35  ?   ?    77.731   25.432 0.000000 25.43230 
1 1 1   63   23    0 o  252.643   34.458 30866.79  6884.20   0.0000   0.0000 30866.79  6884.20  ?   ?   252.643   34.458 0.000000 34.45751 
1 1 1   63   23    1 o   76.297   28.465  2291.04  2366.62   0.0000   0.0000  2291.04  2366.62  ?   ?    76.297   28.465 0.000000 28.46523 
1 1 1   63   23    2 o  140.725   32.587  9616.08  3650.17   0.0000   0.0000  9616.08  3650.17  ?   ?   140.725   32.587 0.000000 32.58692 
1 1 1   63   23    3 o  149.428   33.073 10877.75  3906.65   0.0000   0.0000 10877.75  3906.65  ?   ?   149.428   33.073 0.000000 33.07286 
1 1 1   63   23    7 o  158.108   31.455 12239.71  3896.11   0.0000   0.0000 12239.71  3896.11  ?   ?   158.108   31.455 0.000000 31.45540 
1 1 1   63   23    8 o   76.651   27.454  2585.49  2167.65   0.0000   0.0000  2585.49  2167.65  ?   ?    76.651   27.454 0.000000 27.45370 
1 1 1   63   23    9 o  152.742   16.756 10153.60  2043.96 22306.11  9234.37  9527.55  2095.95  168.633   56.879  147.228   17.901 21.40495 59.62951 
1 1 1   63   23   10 o  174.306   17.143 13331.55  2394.91 21841.78 10103.35 12824.91  2465.16  152.195   58.354  170.209   18.116 -18.01338 61.10115 
1 1 1   63   23   11 o   73.110   27.983  2397.32  2320.77 -1084.1960  9349.04  2625.94  2395.76   86.580   42.071   75.286   28.522 11.29408 50.82841 
1 1 1   63   23   12 o   60.133   22.568  1530.36  1491.97   0.0000   0.0000  1530.36  1491.97  ?   ?    60.133   22.568 0.000000 22.56835 
1 1 1   63   23   13 o  100.791   24.846  5279.89  2020.39   0.0000   0.0000  5279.89  2020.39  ?   ?   100.791   24.846 0.000000 24.84586 
1 1 1   63   25    0 o   87.091   33.952  3228.27  3462.86   0.0000   0.0000  3228.27  3462.86  ?   ?    87.091   33.952 0.000000 33.95194 
1 1 1   63   25    1 o   82.626   34.806  2055.20  3982.57   0.0000   0.0000  2055.20  3982.57  ?   ?    82.626   34.806 0.000000 34.80582 
1 1 1   63   25    2 o   81.736   33.982  2155.04  3721.89   0.0000   0.0000  2155.04  3721.89  ?   ?    81.736   33.982 0.000000 33.98223 
1 1 1   63   25    3 o  151.445   39.502 12482.41  4908.14   0.0000   0.0000 12482.41  4908.14  ?   ?   151.445   39.502 0.000000 39.50159 
1 1 1   63   25    4 o   85.983   34.165  3058.41  3565.62   0.0000   0.0000  3058.41  3565.62  ?   ?    85.983   34.165 0.000000 34.16464 
1 1 1   63   25    5 o   53.493   24.607 -1147.0140  2456.65   0.0000   0.0000 -1147.0140  2456.65  ?   ?    53.493   24.607 0.000000 24.60662 
1 1 1   63   25    7 o  105.547   48.511  5648.99  9521.61  5648.99  9521.61   0.0000   0.0000  105.547   48.511  ?   ?  0.000000 48.51109 
1 1 1   63   25    9 o   81.718   18.651  3075.26  1210.27   0.0000   0.0000  3075.26  1210.27  ?   ?    81.718   18.651 0.000000 18.65112 
1 1 1   63   25   10 f   50.928   18.890  1017.34  1039.26   0.0000   0.0000  1017.34  1039.26  ?   ?    50.928   18.890 0.000000 18.89014 
1 1 1   63   25   11 o   37.651   16.881 -250.7188  1068.02   0.0000   0.0000 -250.7188  1068.02  ?   ?    37.651   16.881 0.000000 16.88058 
1 1 1   63   25   12 o   49.088   22.827 -750.2267  2200.66   0.0000   0.0000 -750.2267  2200.66  ?   ?    49.088   22.827 0.000000 22.82743 
1 1 1   63   27    0 o   62.836   28.767 -771.1844  3303.25   0.0000   0.0000 -771.1844  3303.25  ?   ?    62.836   28.767 0.000000 28.76668 
1 1 1   63   27    1 o   95.731   39.211  4613.76  4857.29   0.0000   0.0000  4613.76  4857.29  ?   ?    95.731   39.211 0.000000 39.21112 
1 1 1   63   27    2 o   76.208   32.386  1762.45  3497.49   0.0000   0.0000  1762.45  3497.49  ?   ?    76.208   32.386 0.000000 32.38569 
1 1 1   63   27    3 o   83.711   35.625  2601.45  4243.17   0.0000   0.0000  2601.45  4243.17  ?   ?    83.711   35.625 0.000000 35.62508 
1 1 1   63   27    4 o  282.712   43.967 47850.41  9764.89   0.0000   0.0000 47850.41  9764.89  ?   ?   282.712   43.967 0.000000 43.96741 
1 1 1   63   27    5 o  213.257   40.534 26444.07  6762.22   0.0000   0.0000 26444.07  6762.22  ?   ?   213.257   40.534 0.000000 40.53407 
1 1 1   63   27    6 o  126.638   37.629  9548.36  4152.13   0.0000   0.0000  9548.36  4152.13  ?   ?   126.638   37.629 0.000000 37.62939 
1 1 1   63   27    7 o  207.966   32.175 23129.04  5257.69 29096.24 12751.60 21906.80  5771.07  142.296   61.186  193.248   38.133 -50.95244 72.09644 
1 1 1   63   27    8 o   58.068   19.521  1519.06  1087.61   0.0000   0.0000  1519.06  1087.61  ?   ?    58.068   19.521 0.000000 19.52058 
1 1 1   63   29    0 o   93.969   38.748  5322.06  4782.71   0.0000   0.0000  5322.06  4782.71  ?   ?    93.969   38.748 0.000000 38.74760 
1 1 1   63   29    1 o   87.660   37.303  4019.47  4651.85   0.0000   0.0000  4019.47  4651.85  ?   ?    87.660   37.303 0.000000 37.30339 
1 1 1   63   29    2 f   56.662   27.091 -2531.4570  3517.42   0.0000   0.0000 -2531.4570  3517.42  ?   ?    56.662   27.091 0.000000 27.09078 
1 1 1   63   29    3 o   37.404   18.886 -7659.4912  2732.24   0.0000   0.0000 -7659.4912  2732.24  ?   ?    37.404   18.886 0.000000 18.88554 
1 1 1   63   29    4 f   83.544   34.877  3655.47  3943.53   0.0000   0.0000  3655.47  3943.53  ?   ?    83.544   34.877 0.000000 34.87717 
1 1 1   63   29    5 o   69.076   30.469  1350.25  3338.24   0.0000   0.0000  1350.25  3338.24  ?   ?    69.076   30.469 0.000000 30.46933 
1 1 1   63   29    6 o   77.451   33.000  2989.87  3648.48   0.0000   0.0000  2989.87  3648.48  ?   ?    77.451   33.000 0.000000 32.99953 
1 1 1   63   29    7 o   56.840   26.776 -1018.2730  3196.20   0.0000   0.0000 -1018.2730  3196.20  ?   ?    56.840   26.776 0.000000 26.77629 
1 1 1   63   29    8 o  100.963   40.378  8929.61  5011.45   0.0000   0.0000  8929.61  5011.45  ?   ?   100.963   40.378 0.000000 40.37757 
1 1 1   63   31    0 o   39.591   10.243  688.886  331.778   0.0000   0.0000  688.886  331.778  ?   ?    39.591   10.243 0.000000 10.24288 
1 1 1   63   31    1 o   40.989   12.809  732.810  473.205   0.0000   0.0000  732.810  473.205  ?   ?    40.989   12.809 0.000000 12.80924 
1 1 1   63   31    2 o   43.580   14.035  831.656  564.439   0.0000   0.0000  831.656  564.439  ?   ?    43.580   14.035 0.000000 14.03497 
1 1 1   63   31    3 o   87.842   39.718  6474.49  6056.44   0.0000   0.0000  6474.49  6056.44  ?   ?    87.842   39.718 0.000000 39.71787 
1 1 1   63   31    4 o   81.343   36.986  4659.92  5341.85   0.0000   0.0000  4659.92  5341.85  ?   ?    81.343   36.986 0.000000 36.98568 
1 1 1   63   31    5 o   77.864   35.481  4032.72  4950.38   0.0000   0.0000  4032.72  4950.38  ?   ?    77.864   35.481 0.000000 35.48121 
1 1 1   63   31    6 o   77.525   34.431  4332.54  4334.54   0.0000   0.0000  4332.54  4334.54  ?   ?    77.525   34.431 0.000000 34.43098 
1 1 1   63   33    0 o   61.918   30.726 -1617.9170  5898.60   0.0000   0.0000 -1617.9170  5898.60  ?   ?    61.918   30.726 0.000000 30.72599 
1 1 1   63   33    1 f   63.753   31.803 -1490.0870  6666.14   0.0000   0.0000 -1490.0870  6666.14  ?   ?    63.753   31.803 0.000000 31.80316 
1 1 1   63   33    2 o   71.959   34.605  4025.96  5927.56   0.0000   0.0000  4025.96  5927.56  ?   ?    71.959   34.605 0.000000 34.60463 
1 1 1   64    0    0 o  135.221   21.402  8012.01  2173.70   0.0000   0.0000  8012.01  2173.70  135.221   21.402  135.221   21.402 0.000000 0.000000 
1 1 1   64    0    1 o  312.113   26.430 40886.25  6587.61   0.0000   0.0000 40886.25  6587.61  312.113   26.430  312.113   26.430 0.000000 0.000000 
1 1 1   64    0    2 f  589.909   44.212 148820.09 20903.29   0.0000   0.0000 148820.09 20903.29  589.909   44.212  589.909   44.212 0.000000 0.000000 
1 1 1   64    0    3 o  647.180   48.214 180678.20 25012.72   0.0000   0.0000 180678.20 25012.72  647.180   48.214  647.180   48.214 0.000000 0.000000 
1 1 1   64    0    4 o  443.873   33.652 83292.97 11968.37   0.0000   0.0000 83292.97 11968.37  443.873   33.652  443.873   33.652 0.000000 0.000000 
1 1 1   64    0    5 o  132.330   14.726  7404.88  1532.14  5035.78  3073.49  8188.29  1767.41   91.810   39.864  138.827   16.263 0.000000 0.000000 
1 1 1   64    0    6 o   80.427   17.338  2981.00  993.411  1545.90  2485.93  3253.72  1083.70   55.580   32.632   84.004   18.108 0.000000 0.000000 
1 1 1   64    0    7 o  380.801   21.511 60352.66  6602.62 62629.11 10287.96 58758.36  8609.64  381.258   33.847  372.007   28.905 0.000000 0.000000 
1 1 1   64    0    8 o   32.854   17.221  644.003  605.610 -5060.8091  1943.98  1257.17  637.325   22.407   16.427   47.887   17.686 0.000000 0.000000 
1 1 1   64    0    9 f  166.499   33.639 13065.80  4028.63 13065.80  4028.63   0.0000   0.0000  166.499   33.639  166.499   33.639 0.000000 0.000000 
1 1 1   64    0   10 o  364.707   21.446 56105.07  6300.50 57280.34  9966.17 55322.66  8131.62  357.633   35.096  357.084   28.462 0.000000 0.000000 
1 1 1   64    0   11 o  428.491   24.585 78564.99  8489.18 79039.11 13052.12 78217.37 11176.04  413.319   39.735  418.682   33.362 0.000000 0.000000 
1 1 1   64    0   12 o  270.387   19.292 31070.73  4186.01 25289.45  6982.80 34313.81  5229.94  225.233   42.633  281.608   23.236 0.000000 0.000000 
1 1 1   64    0   13 o   54.115   23.287  1763.98  1049.94  3749.32  2612.86  1381.68  1146.58   74.569   36.470   46.764   23.901 0.000000 0.000000 
1 1 1   64    0   14 o   75.909   23.215  3027.24  1250.33  2529.27  3088.89  3124.82  1367.36   62.158   36.432   75.815   25.007 0.000000 0.000000 
1 1 1   64    0   15 o   20.969   14.686 -905.2328  938.443  544.518  2783.91 -1091.0930  996.785   47.301   30.642   20.955   14.771 0.000000 0.000000 
1 1 1   64    0   16 o  113.384   20.899  6057.58  1731.46  7798.97  4588.44  5768.44  1869.69   95.486   48.033  107.648   24.547 0.000000 0.000000 
1 1 1   64    0   17 o   26.455   18.117 -607.8559  1238.55 -5462.4302  5140.77 -308.7041  1276.14   41.968   30.236   28.686   19.283 0.000000 0.000000 
1 1 1   64    0   18 o  170.282   21.160 13786.64  2803.89 10097.10  6734.25 14560.39  3083.91   80.853   50.417  172.879   23.131 0.000000 0.000000 
1 1 1   64    2    0 o  461.465   24.690 88329.51  9217.60 86036.93 12959.09 90677.07 13113.58  450.243   35.742  462.597   35.176 -12.35464 50.14800 
1 1 1   64    2    1 o  288.704   17.415 34276.07  4063.25 39275.70  5669.73 28996.91  5826.07  307.756   22.852  262.801   27.721 44.95508 35.92622 
1 1 1   64    2    2 o  107.541   12.349  4778.58  1058.72  4929.54  1408.95  4582.79  1604.57  108.532   16.509  103.954   19.732 4.578392 25.72689 
1 1 1   64    2    3 o  180.784   12.838 13403.87  1872.24 12736.63  2530.74 14210.56  2782.66  175.328   18.034  185.145   18.770 -9.817657 26.02931 
1 1 1   64    2    4 o  255.615   14.950 26811.02  3089.31 24488.89  4259.22 29388.87  4487.62  242.766   21.841  266.354   20.918 -23.58801 30.24264 
1 1 1   64    2    5 o  739.701   26.461 227650.00 15892.89 222739.70 22417.69 232611.70 22534.64  721.211   38.420  737.719   37.747 -16.50885 53.86012 
1 1 1   64    2    6 o   49.014   12.665  1018.33  507.675  1296.65  630.229  503.949  856.777   55.243   14.025   43.745   16.934 11.49809 21.98792 
1 1 1   64    2    7 o  468.495   17.626 90401.09  6705.01 90558.74  9454.27 90241.55  9510.62  464.861   25.141  463.927   25.344 0.9335938 35.69833 
1 1 1   64    2    8 o  174.068   12.696 12476.80  1781.99 12545.25  2016.34 12232.64  3808.36  174.202   14.384  167.573   29.042 6.628647 32.40867 
1 1 1   64    2    9 o  336.070   14.013 46455.37  3823.85 45673.39  5406.61 47237.99  5408.88  330.338   20.255  336.138   19.906 -5.800079 28.39928 
1 1 1   64    2   10 o  438.762   21.355 80912.16  7608.04 74906.47 13984.82 83436.79  9067.21  399.563   43.825  441.850   25.380 -42.28680 50.64337 
1 1 1   64    2   11 o  185.576   10.841 14172.13  1626.37 13990.04  2313.62 14349.99  2286.68  183.031   15.720  185.515   15.318 -2.484055 21.94908 
1 1 1   64    2   12 o   89.532   11.453  3348.23  813.513  2482.50  1151.77  4210.08  1149.19   75.433   18.856   99.793   14.616 -24.36046 23.85731 
1 1 1   64    2   13 o  109.437   11.265  4981.74  986.709  4676.03  1398.69  5284.62  1392.17  104.384   17.094  111.513   15.819 -7.128845 23.29060 
1 1 1   64    2   14 o  118.085   11.972  5822.43  1132.05  5903.80  1613.02  5743.45  1589.18  117.145   17.494  115.516   17.490 1.628777 24.73769 
1 1 1   64    2   15 o  104.653   13.115  4628.43  1089.94  4156.96  1535.32  5107.45  1547.57   96.638   20.216  108.165   18.272 -11.52705 27.24981 
1 1 1   64    2   16 o  182.697   12.502 14001.18  1843.44 14013.16  2585.48 13988.80  2629.12  179.779   17.952  179.399   18.305 0.3807068 25.63898 
1 1 1   64    2   17 o  159.744   13.076 10830.04  1681.21 11500.89  2377.18 10158.71  2378.01  161.288   18.486  150.499   19.952 10.78864 27.19918 
1 1 1   64    2   18 o  117.519   13.717  5980.46  1284.23  5392.20  1750.20  6666.61  1890.22  107.359   20.829  120.183   20.078 -12.82327 28.93076 
1 1 1   64    4    0 o  170.899   14.184 12013.96  1950.42 14522.33  2593.09  8746.09  2959.74  187.477   17.227  143.046   26.457 44.43048 31.57125 
1 1 1   64    4    1 o   71.114   13.500  2132.66  750.987  2190.35  892.240  1992.50  1390.81   71.792   15.740   69.893   21.979 1.899323 27.03393 
1 1 1   64    4    2 o  317.761   17.881 41537.02  4594.63 41464.01  6275.27 41621.39  6745.79  315.628   24.683  315.618   26.570 0.9796143E-02 36.26560 
1 1 1   64    4    3 o  355.515   18.687 52034.45  5375.38 47302.85  7347.97 57481.84  7884.20  336.316   27.139  371.242   26.326 -34.92599 37.80997 
1 1 1   64    4    4 o  309.908   14.139 39258.35  3557.76 40210.05  4425.40 37519.21  5982.34  312.604   17.505  299.907   24.789 12.69733 30.34671 
1 1 1   64    4    5 o  173.368   10.284 12292.65  1441.16 12125.49  1931.21 12502.74  2164.99  171.645   13.978  174.049   15.481 -2.404510 20.85795 
1 1 1   64    4    6 o  292.663   14.919 35184.29  3533.45 35012.72  4128.42 35654.18  6832.31  291.300   17.536  289.828   29.442 1.471802 34.26834 
1 1 1   64    4    7 o  133.374   14.036  7370.04  1497.19  7370.04  1497.19   0.0000   0.0000  133.374   14.036  ?   ?  0.000000 14.03583 
1 1 1   64    4    8 o  255.147   13.281 26774.84  2741.99 27479.89  4266.00 26278.51  3579.27  256.180   20.685  251.533   17.637 4.646591 27.18324 
1 1 1   64    4    9 o  124.600   9.9237  6385.53  995.664  6640.70  1356.65  6087.62  1465.85  126.420   13.422  120.554   15.321 5.866493 20.36861 
1 1 1   64    4   10 o  163.275   10.338 10957.67  1363.42  9183.30  1893.36 12868.75  1964.95  148.088   16.001  176.178   13.848 -28.09076 21.16066 
1 1 1   64    4   11 o   96.609   15.469  3960.82  1172.53 -3094.8000  3396.06  4915.73  1249.36   58.860   27.689  108.081   14.611 -49.22058 31.30776 
1 1 1   64    4   12 o  180.943   11.052 13506.04  1615.94 12856.57  2282.72 14158.45  2287.86  174.915   16.259  183.911   15.464 -8.995331 22.43867 
1 1 1   64    4   13 o  255.830   12.742 27072.32  2646.78 26957.48  3774.50 27183.42  3712.50  252.080   18.572  253.372   18.166 -1.292908 25.97912 
1 1 1   64    4   14 o   53.397   15.682  1218.91  724.621  1004.54  1005.70  1450.34  1044.97   52.073   18.695   58.926   19.109 -6.853195 26.73290 
1 1 1   64    4   15 o  200.305   11.308 16666.52  1831.62 15119.09  2578.00 18243.83  2602.77  188.044   17.070  207.547   15.558 -19.50291 23.09656 
1 1 1   64    4   16 o  109.447   12.721  5073.33  1109.39  5763.71  1465.93  4147.96  1697.18  115.404   16.081   94.972   22.376 20.43179 27.55534 
1 1 1   64    4   17 o   78.429   15.407  2715.75  946.128  3544.63  1205.88  1388.37  1526.00   89.067   17.298   60.276   22.781 28.79143 28.60387 
1 1 1   64    4   18 o   94.375   14.882  3930.56  1102.64  3268.62  1407.14  4983.66  1774.85   82.919   20.905  102.115   22.051 -19.19621 30.38553 
1 1 1   64    6    0 o  324.847   28.430 44302.69  7423.43   0.0000   0.0000 44302.69  7423.43  ?   ?   324.847   28.430 0.000000 28.43034 
1 1 1   64    6    1 o  544.960   23.082 122698.40 10213.64 96536.04 13932.16 153095.20 15017.36  476.135   36.311  604.000   30.722 -127.8648 47.56400 
1 1 1   64    6    2 o  191.792   21.709 15352.69  3321.16   0.0000   0.0000 15352.69  3321.16  ?   ?   191.792   21.709 0.000000 21.70884 
1 1 1   64    6    3 o  135.990   11.447  7594.60  1252.22  7959.63  1538.14  6877.14  2156.40  138.891   13.823  127.450   21.610 11.44036 25.65240 
1 1 1   64    6    4 o  250.393   16.031 25794.46  3242.11 25794.46  3242.11   0.0000   0.0000  250.393   16.031  ?   ?  0.000000 16.03072 
1 1 1   64    6    5 o  208.321   10.999 17752.53  1853.92 17050.28  2487.87 18629.43  2780.06  203.451   15.169  212.496   16.235 -9.045319 22.21923 
1 1 1   64    6    6 o  445.752   17.623 81810.44  6378.47 85711.59  8935.12 77756.49  9108.42  452.766   24.395  430.226   26.199 22.53922 35.79770 
1 1 1   64    6    7 f  161.520   9.9586 10688.18  1299.69 10738.68  1765.45 10628.43  1920.39  161.276   13.609  160.167   14.939 1.108643 20.20819 
1 1 1   64    6    8 o  338.574   15.534 47256.16  4270.50 45419.12  5341.44 50510.81  7109.69  329.709   20.047  344.766   25.580 -15.05652 32.49947 
1 1 1   64    6    9 o  177.205   10.222 12889.00  1464.56 12264.84  2001.51 13608.33  2148.70  171.900   14.475  181.059   14.744 -9.158997 20.66121 
1 1 1   64    6   10 o  168.404   9.9455 11648.43  1353.89 10272.33  1872.42 13156.21  1959.96  156.957   14.869  178.132   13.655 -21.17479 20.18796 
1 1 1   64    6   11 f  320.521   13.740 42451.76  3575.78 38846.10  5084.54 45980.11  5029.73  302.566   20.823  330.571   18.817 -28.00534 28.06545 
1 1 1   64    6   12 o   64.631   17.977  1807.44  977.706 -2102.8821  3204.68  2208.76  1026.65   59.942   27.761   71.204   17.804 -11.26189 32.98003 
1 1 1   64    6   13 o  135.591   10.755  7614.03  1174.34  7397.07  1592.12  7872.91  1739.15  132.385   15.081  136.305   16.020 -3.919846 22.00111 
1 1 1   64    6   14 o  111.530   11.245  5188.55  1004.42  4285.89  1318.79  6435.45  1549.99   99.546   16.922  122.830   15.915 -23.28397 23.23027 
1 1 1   64    6   15 o   38.534   14.630  459.554  631.222  335.413  763.495  727.672  1122.05   39.108   15.718   49.624   19.332 -10.51572 24.91512 
1 1 1   64    6   16 o   80.425   13.720  2792.02  863.782  2349.02  1080.58  3576.12  1437.61   72.309   18.369   88.674   20.392 -16.36553 27.44534 
1 1 1   64    6   17 o   70.014   15.431  2181.26  853.601  2780.02  1038.44  933.737  1498.92   78.737   16.757   55.220   22.083 23.51645 27.72126 
1 1 1   64    6   18 o   77.184   15.673  2683.40  948.698  2036.11  1139.31  4147.13  1713.27   65.948   19.738   91.997   22.998 -26.04906 30.30633 
1 1 1   64    8    1 o  369.655   30.919 57718.18  9195.14   0.0000   0.0000 57718.18  9195.14  ?   ?   369.655   30.919 0.000000 30.91933 
1 1 1   64    8    2 o  209.059   22.518 18265.71  3762.04   0.0000   0.0000 18265.71  3762.04  ?   ?   209.059   22.518 0.000000 22.51768 
1 1 1   64    8    3 o  257.381   24.430 27728.13  5044.33   0.0000   0.0000 27728.13  5044.33  ?   ?   257.381   24.430 0.000000 24.43003 
1 1 1   64    8    4 o  383.085   22.594 61007.02  6996.67 65596.77 10712.17 57592.23  9239.85  391.631   34.025  368.304   31.190 23.32730 46.15783 
1 1 1   64    8    5 o  323.502   14.183 42872.03  3725.60 40932.96  4583.67 46646.89  6395.41  314.748   18.010  333.983   23.738 -19.23462 29.79693 
1 1 1   64    8    6 o  101.578   9.4560  4244.38  770.956  4395.76  945.389  3943.87  1332.06  103.076   11.491   96.332   17.681 6.743721 21.08758 
1 1 1   64    8    7 o   91.307   9.6227  3440.80  702.668  3763.88  864.190  2810.50  1207.06   95.247   11.401   80.775   18.763 14.47194 21.95495 
1 1 1   64    8    8 o   94.961   9.5268  3720.63  724.662  3077.75  908.623  4844.23  1201.23   85.512   13.537  107.607   14.086 -22.09560 19.53665 
1 1 1   64    8    9 o  396.652   16.114 65201.76  5189.92 60346.58  6470.86 73957.08  8689.50  378.303   21.151  415.128   25.909 -36.82581 33.44590 
1 1 1   64    8   10 o  400.189   15.213 66366.85  4943.17 62665.73  6992.07 70065.05  6989.31  383.670   22.544  406.806   21.233 -23.13599 30.96879 
1 1 1   64    8   11 o  112.668   10.219  5248.96  924.681  4447.05  1186.65  6488.63  1475.41  102.591   14.663  124.207   14.928 -21.61678 20.92479 
1 1 1   64    8   12 o  115.575   10.092  5525.63  937.593  5198.22  1227.30  5984.55  1453.00  111.138   13.905  118.915   15.411 -7.776863 20.75649 
1 1 1   64    8   13 o  189.269   11.704 14853.64  1789.77 15856.73  2477.93 13759.56  2587.88  193.918   15.877  179.604   17.987 14.31313 23.99188 
1 1 1   64    8   14 o   93.536   11.680  3676.62  867.766  3132.07  1100.97  4569.74  1409.99   84.794   16.585  102.507   17.573 -17.71364 24.16332 
1 1 1   64    8   15 o   57.642   15.403  1454.32  734.654  1020.45  902.187  2308.25  1265.68   50.918   17.759   71.732   20.628 -20.81395 27.21920 
1 1 1   64    8   16 o   84.645   13.495  3088.16  896.379  3030.18  1124.25  3189.36  1485.13   82.415   17.349   82.967   21.772 -0.5523987 27.83897 
1 1 1   64    8   17 o  140.397   11.497  8337.19  1299.12  6872.56  1700.36 10391.03  2013.54  124.269   17.323  153.827   16.372 -29.55869 23.83555 
1 1 1   64    8   18 o   67.199   16.326  2071.35  881.986  1749.71  1077.56  2724.22  1535.21   61.370   19.353   74.312   23.047 -12.94214 30.09509 
1 1 1   64   10    0 o  116.331   26.579  5861.84  2455.67   0.0000   0.0000  5861.84  2455.67  ?   ?   116.331   26.579 0.000000 26.57927 
1 1 1   64   10    1 o  446.578   36.174 85635.77 13004.15   0.0000   0.0000 85635.77 13004.15  ?   ?   446.578   36.174 0.000000 36.17374 
1 1 1   64   10    2 o   76.785   25.091  2375.78  1800.27   0.0000   0.0000  2375.78  1800.27  ?   ?    76.785   25.091 0.000000 25.09109 
1 1 1   64   10    3 f  248.885   24.399 26019.08  4867.36   0.0000   0.0000 26019.08  4867.36  ?   ?   248.885   24.399 0.000000 24.39936 
1 1 1   64   10    4 o  154.492   22.552 10113.17  2745.57   0.0000   0.0000 10113.17  2745.57  ?   ?   154.492   22.552 0.000000 22.55159 
1 1 1   64   10    5 o  101.862   22.639  4488.22  1823.90   0.0000   0.0000  4488.22  1823.90  ?   ?   101.862   22.639 0.000000 22.63924 
1 1 1   64   10    6 o  266.637   11.632 29101.52  2518.31 25178.99  3034.91 37772.88  4512.38  246.853   15.216  301.355   18.531 -54.50188 23.97734 
1 1 1   64   10    7 o  232.035   10.156 22015.42  1913.52 20694.83  2528.18 23786.56  2927.86  223.836   13.980  239.697   15.121 -15.86043 20.59363 
1 1 1   64   10    8 o   41.882   10.864  745.462  372.604  585.987  412.072  1460.39  872.484   38.009   11.965   58.731   17.196 -20.72219 20.94901 
1 1 1   64   10    9 o  199.932   9.4906 16356.22  1540.69 14403.10  2057.68 18848.35  2324.34  186.352   13.695  213.371   13.485 -27.01874 19.21996 
1 1 1   64   10   10 o  283.743   14.290 33414.92  3281.62 31589.74  4082.18 36749.11  5517.39  273.873   18.465  292.350   23.440 -18.47760 29.83943 
1 1 1   64   10   11 o  232.280   11.274 22207.55  2126.34 20072.93  2918.75 24621.72  3103.99  218.543   16.572  242.497   15.852 -23.95343 22.93233 
1 1 1   64   10   12 o   49.382   12.371  1047.44  495.018  1026.65  558.980  1123.03  1065.70   48.993   13.580   54.453   19.277 -5.460358 23.57993 
1 1 1   64   10   13 o   68.603   19.677  2067.47  1153.07 -1546.5560  4140.44  2371.33  1200.57   70.135   32.144   73.190   19.746 -3.055115 37.72511 
1 1 1   64   10   14 o  163.760   10.900 11143.07  1441.13  9537.39  1923.41 13198.18  2176.00  149.407   16.110  176.377   15.347 -26.97018 22.24997 
1 1 1   64   10   15 f   91.913   11.622  3570.11  847.935  4485.39  1031.71  1665.03  1488.46  102.843   12.620   63.797   22.760 39.04662 26.02482 
1 1 1   64   10   16 o  180.567   11.206 13679.07  1634.87 12427.92  2189.95 15254.18  2457.17  169.180   16.138  187.431   16.308 -18.25052 22.94312 
1 1 1   64   10   17 o  136.835   11.453  7946.35  1260.77  7500.67  1592.55  8694.72  2063.64  130.751   15.289  138.340   18.863 -7.588257 24.28145 
1 1 1   64   12    0 o  523.796   42.741 121323.30 18019.44   0.0000   0.0000 121323.30 18019.44  ?   ?   523.796   42.741 0.000000 42.74083 
1 1 1   64   12    1 o  223.618   25.909 21187.26  4617.09   0.0000   0.0000 21187.26  4617.09  ?   ?   223.618   25.909 0.000000 25.90862 
1 1 1   64   12    2 o  165.325   23.615 11606.14  3079.99   0.0000   0.0000 11606.14  3079.99  ?   ?   165.325   23.615 0.000000 23.61517 
1 1 1   64   12    3 o  159.779   23.095 10852.29  2909.24   0.0000   0.0000 10852.29  2909.24  ?   ?   159.779   23.095 0.000000 23.09464 
1 1 1   64   12    4 o  431.617   35.581 81570.65 12358.38   0.0000   0.0000 81570.65 12358.38  ?   ?   431.617   35.581 0.000000 35.58052 
1 1 1   64   12    5 o   92.303   21.996  3703.55  1625.10  6430.03  3456.35  2929.75  1841.32  119.667   33.983   82.846   25.159 36.82079 42.28265 
1 1 1   64   12    6 o  267.156   20.051 29968.18  4317.86 29157.45  7192.42 30425.01  5399.02  254.719   35.761  266.671   25.235 -11.95229 43.76793 
1 1 1   64   12    7 o   96.189   20.873  4026.91  1583.38  3982.09  3595.92  4037.69  1763.55   98.836   35.364   95.891   22.955 2.945816 42.16117 
1 1 1   64   12    8 o  116.288   16.111  5714.23  1480.38  3916.26  4062.29  5989.57  1589.69   99.875   37.288  118.866   16.951 -18.99015 40.95975 
1 1 1   64   12    9 o   36.189   8.7796  556.995  255.345  618.329  265.421 -205.1243  935.616   38.132   8.7571   36.929   16.215 1.203625 18.42877 
1 1 1   64   12   10 o  364.614   14.983 55275.69  4435.73 51399.72  5498.05 62502.32  7507.36  348.272   19.521  379.684   24.482 -31.41260 31.31204 
1 1 1   64   12   11 o  281.910   12.127 32831.97  2775.91 28896.23  3833.32 37171.50  4025.16  261.114   18.194  297.222   16.747 -36.10803 24.72825 
1 1 1   64   12   12 o  101.439   8.8909  4253.24  724.916  3729.41  839.493  5788.97  1437.41   94.432   11.165  116.598   15.572 -22.16625 19.16075 
1 1 1   64   12   13 o   28.163   11.134  185.008  376.953 -238.7182  403.562  3084.06  1055.59   22.374   10.170   84.254   16.015 -61.88023 18.97179 
1 1 1   64   12   14 o  130.618   10.038  7091.12  1056.43  6839.50  1306.58  7566.18  1795.34  127.344   12.810  132.148   17.135 -4.804474 21.39433 
1 1 1   64   12   15 o   67.424   11.351  1944.30  599.365  2121.80  665.805  1185.70  1376.41   70.282   12.104   57.116   21.624 13.16615 24.78088 
1 1 1   64   12   16 o   39.993   13.276  655.078  503.239  539.922  542.960  1356.86  1340.37   38.148   13.732   58.119   21.474 -19.97136 25.48892 
1 1 1   64   12   17 o  131.557   10.826  7344.81  1146.15  6784.08  1375.79  8616.71  2072.06  124.732   13.816  136.665   19.202 -11.93309 23.65635 
1 1 1   64   14    0 o  366.677   33.300 58430.44  9806.40   0.0000   0.0000 58430.44  9806.40  ?   ?   366.677   33.300 0.000000 33.30036 
1 1 1   64   14    1 o  107.674   28.196  5104.54  2494.28   0.0000   0.0000  5104.54  2494.28  ?   ?   107.674   28.196 0.000000 28.19619 
1 1 1   64   14    2 o  100.033   27.068  4389.75  2252.02   0.0000   0.0000  4389.75  2252.02  ?   ?   100.033   27.068 0.000000 27.06814 
1 1 1   64   14    3 o  186.438   24.213 14871.25  3578.81   0.0000   0.0000 14871.25  3578.81  ?   ?   186.438   24.213 0.000000 24.21269 
1 1 1   64   14    4 o  240.485   25.441 24799.01  4892.27   0.0000   0.0000 24799.01  4892.27  ?   ?   240.485   25.441 0.000000 25.44070 
1 1 1   64   14    5 o  468.499   27.445 94614.07 10394.81 102892.90 15830.62 88339.04 13782.28  471.161   41.814  439.956   38.985 31.20560 57.16869 
1 1 1   64   14    6 o  410.728   25.654 72549.61  8512.70 74345.20 13216.45 71276.52 11128.56  398.595   41.442  397.974   34.788 0.6213989 54.10787 
1 1 1   64   14    7 o  301.754   21.702 38737.59  5281.83 39433.36  8796.46 38345.30  6605.06  291.364   38.094  295.961   27.812 -4.597504 47.16632 
1 1 1   64   14    8 o  194.459   16.077 15846.68  2515.65 21070.86  6014.19 14738.81  2769.58  212.489   36.153  186.539   18.531 25.94969 40.62526 
1 1 1   64   14    9 f  269.583   17.593 30618.19  3829.80 27704.21  8372.94 31389.14  4306.72  233.903   45.725  271.762   19.650 -37.85896 49.76847 
1 1 1   64   14   10 o  248.590   16.869 26052.47  3384.85 29647.50  8087.72 25289.06  3726.95  243.660   42.420  243.717   18.983 -0.5668640E-01 46.47429 
1 1 1   64   14   11 o   30.669   14.338 -824.2791  886.895  5024.30  4082.48 -1113.9750  908.594  104.305   37.640   29.291   13.939 75.01359 40.13796 
1 1 1   64   14   12 o   96.771   8.6221  3873.95  670.387  3467.00  755.096  5388.54  1456.73   91.109   10.393  111.870   16.536 -20.76057 19.53049 
1 1 1   64   14   13 o   62.107   9.0874  1620.40  444.710  1701.70  472.674  993.700  1312.39   63.594   9.4405   54.862   21.032 8.732182 23.05377 
1 1 1   64   14   14 o   57.401   10.377  1406.54  465.833  1173.81  499.174  2976.22  1296.37   52.006   12.056   80.911   19.876 -28.90518 23.24671 
1 1 1   64   14   15 o   32.249   11.138  398.959  354.442  304.320  368.498  1569.00  1295.69   30.293   11.246   60.678   21.275 -30.38468 24.06483 
1 1 1   64   14   16 f  109.988   9.7337  5089.98  860.305  4880.34  977.621  5809.60  1811.26  106.980   11.432  111.246   20.817 -4.266342 23.74950 
1 1 1   64   16    0 o  250.780   29.403 27481.20  5873.57   0.0000   0.0000 27481.20  5873.57  ?   ?   250.780   29.403 0.000000 29.40300 
1 1 1   64   16    1 o  203.719   27.447 18076.97  4424.60   0.0000   0.0000 18076.97  4424.60  ?   ?   203.719   27.447 0.000000 27.44745 
1 1 1   64   16    2 o  210.954   26.496 19313.32  4438.26   0.0000   0.0000 19313.32  4438.26  ?   ?   210.954   26.496 0.000000 26.49569 
1 1 1   64   16    3 o  101.089   27.259  4555.64  2288.56   0.0000   0.0000  4555.64  2288.56  ?   ?   101.089   27.259 0.000000 27.25891 
1 1 1   64   16    4 f  230.822   26.141 23162.20  4812.97   0.0000   0.0000 23162.20  4812.97  ?   ?   230.822   26.141 0.000000 26.14102 
1 1 1   64   16    5 o  423.930   26.204 77854.52  8975.59 86975.78 14064.57 71587.47 11658.19  429.728   40.797  394.721   36.799 35.00775 54.94192 
1 1 1   64   16    6 o   82.946   24.737  3017.52  1791.90  4816.73  4245.52  2627.54  1976.59  105.842   38.355   79.048   26.314 26.79326 46.51348 
1 1 1   64   16    7 o   88.774   24.385  3512.44  1811.68  4605.35  4388.18  3287.88  1989.12  104.358   38.795   86.219   26.142 18.13850 46.78090 
1 1 1   64   16    8 o  245.564   21.465 25934.34  4236.98 24141.06  7790.73 26687.50  5048.93  217.109   45.642  246.275   25.624 -29.16562 52.34339 
1 1 1   64   16    9 o  275.558   17.912 32174.64  3986.04 34411.37  9056.60 31637.26  4439.12  259.557   44.579  271.659   20.271 -12.10184 48.97138 
1 1 1   64   16   10 o  221.538   16.767 20794.58  2993.74 22803.00  7705.64 20437.53  3248.97  205.296   47.212  218.651   18.473 -13.35498 50.69701 
1 1 1   64   16   11 o  122.674   22.865  6760.59  2193.70  4529.60  5913.98  7116.53  2362.22  104.637   43.110  125.314   24.091 -20.67680 49.38451 
1 1 1   64   16   12 o  138.704   18.518  8390.44  2033.42  7510.72  6592.81  8482.93  2137.64  117.199   46.492  138.984   19.477 -21.78491 50.40665 
1 1 1   64   16   13 o   93.622   22.344  4049.70  1674.91 -2256.0271  6474.60  4501.94  1733.93   80.487   37.975   98.906   22.143 -18.41891 43.95906 
1 1 1   64   16   14 o   90.927   20.918  3829.70  1512.20  7611.98  7123.59  3651.22  1547.47  109.354   46.333   88.373   21.720 20.98068 51.17157 
1 1 1   64   16   15 o   30.365   14.682 -1586.4480  1102.42 -6315.0532  7110.27 -1469.9771  1115.91   70.715   34.840   31.197   15.006 39.51795 37.93367 
1 1 1   64   16   16 o   95.643   23.644  4601.49  1825.76 11882.00  8854.43  4278.20  1865.86  104.952   47.681   91.395   24.600 13.55624 53.65242 
1 1 1   64   18    0 o  164.829   31.706 12400.61  4089.30   0.0000   0.0000 12400.61  4089.30  ?   ?   164.829   31.706 0.000000 31.70587 
1 1 1   64   18    1 o   66.171   26.996  935.861  2290.97   0.0000   0.0000  935.861  2290.97  ?   ?    66.171   26.996 0.000000 26.99621 
1 1 1   64   18    2 o   58.435   24.738  295.203  2027.82   0.0000   0.0000  295.203  2027.82  ?   ?    58.435   24.738 0.000000 24.73760 
1 1 1   64   18    3 o   59.066   24.380  599.873  1895.89   0.0000   0.0000  599.873  1895.89  ?   ?    59.066   24.380 0.000000 24.38003 
1 1 1   64   18    4 o  144.186   25.739  9240.24  2902.83   0.0000   0.0000  9240.24  2902.83  ?   ?   144.186   25.739 0.000000 25.73907 
1 1 1   64   18    5 o  109.943   24.963  5424.60  2177.56  8157.30  4475.73  4577.16  2492.44  129.235   39.220  100.202   28.985 29.03310 48.76880 
1 1 1   64   18    6 o  171.566   22.609 12831.24  3072.83 12340.12  6276.33 12986.08  3524.08  152.967   46.449  170.653   26.276 -17.68568 53.36612 
1 1 1   64   18    7 o  137.421   22.502  8314.09  2423.84  9124.40  5740.93  8138.31  2673.84  132.711   44.847  134.567   25.403 -1.856628 51.54189 
1 1 1   64   18    8 o   82.864   25.463  3069.42  1878.81 -3946.0759  5145.34  4148.73  2018.17   71.242   33.687   95.340   25.551 -24.09792 42.28076 
1 1 1   64   18    9 o  153.786   16.243 10062.89  1997.52 11580.55  6574.58  9908.55  2096.63  142.975   47.995  152.140   17.279 -9.164505 51.01025 
1 1 1   64   18   10 o  127.480   17.079  7006.58  1723.44  6022.39  6450.00  7082.25  1788.47  111.912   45.435  127.912   17.694 -16.00011 48.75887 
1 1 1   64   18   11 f   98.393   27.755  4619.46  2313.62 -3152.1201  6539.55  5731.38  2473.60   80.117   37.912  109.540   27.772 -29.42245 46.99612 
1 1 1   64   18   12 o   99.841   21.702  4572.06  1709.12  3640.88  7097.16  4629.39  1760.95   99.283   44.078  100.227   22.221 -0.9443893 49.36227 
1 1 1   64   18   13 o  168.402   18.778 12597.20  2523.92 16593.72  8756.28 12235.07  2635.79  141.149   54.276  164.942   20.096 -23.79268 57.87677 
1 1 1   64   18   14 o   68.577   24.290  2151.68  1692.32  9987.09  8057.29  1790.06  1730.94  110.586   48.091   64.907   24.319 45.67892 53.89024 
1 1 1   64   18   15 o  121.282   21.752  7072.92  2063.32  9504.64  9641.69  6956.21  2112.26   99.283   46.689  119.536   22.590 -20.25362 51.86703 
1 1 1   64   20    3 o   81.068   27.309  2818.99  2128.72   0.0000   0.0000  2818.99  2128.72  ?   ?    81.068   27.309 0.000000 27.30933 
1 1 1   64   20    4 o   84.590   29.093  3079.32  2417.17   0.0000   0.0000  3079.32  2417.17  ?   ?    84.590   29.093 0.000000 29.09277 
1 1 1   64   20    5 o   75.491   27.893  2199.83  2261.59   0.0000   0.0000  2199.83  2261.59  ?   ?    75.491   27.893 0.000000 27.89309 
1 1 1   64   20    6 o  275.071   24.830 33501.19  5485.93 31721.33 10023.99 34262.23  6554.67  234.723   53.752  273.103   30.056 -38.37976 61.58471 
1 1 1   64   20    7 o  243.152   23.969 26186.12  4670.75 28713.91  9081.84 25277.09  5446.21  224.818   50.931  234.252   29.272 -9.434418 58.74423 
1 1 1   64   20    8 o  109.758   27.335  5650.86  2426.87  2637.53  6485.50  6141.50  2617.00   98.573   43.002  113.977   28.385 -15.40436 51.52533 
1 1 1   64   20    9 o  104.996   19.177  4876.93  1574.70  5108.47  6782.17  4863.74  1618.94  107.381   45.337  104.590   19.788 2.790718 49.46757 
1 1 1   64   20   10 o  202.135   17.284 17628.06  2809.53 14614.81  9062.21 17948.48  2955.13  141.926   55.037  203.419   18.080 -61.49310 57.93038 
1 1 1   64   20   11 o  113.353   28.989  6362.11  2678.74  9252.52  7965.67  5993.56  2844.39  118.438   49.517  108.804   30.804 9.634254 58.31657 
1 1 1   64   20   12 o   54.108   20.907  1012.37  1304.10  7292.52  6452.94  744.958  1331.57  107.472   44.719   51.569   20.746 55.90300 49.29699 
1 1 1   64   20   13 o   50.529   20.806  636.906  1376.66  4545.52  6981.33  478.772  1404.23   93.390   42.393   49.415   20.734 43.97486 47.19198 
1 1 1   64   20   14 o   97.174   24.048  4759.81  1887.15   0.0000   0.0000  4759.81  1887.15  ?   ?    97.174   24.048 0.000000 24.04794 
1 1 1   64   22    0 o  127.015   35.110  7992.88  3741.83   0.0000   0.0000  7992.88  3741.83  ?   ?   127.015   35.110 0.000000 35.10962 
1 1 1   64   22    1 o   48.968   22.478 -1157.9420  2035.21   0.0000   0.0000 -1157.9420  2035.21  ?   ?    48.968   22.478 0.000000 22.47755 
1 1 1   64   22    5 o  101.867   31.671  4983.87  2897.05   0.0000   0.0000  4983.87  2897.05  ?   ?   101.867   31.671 0.000000 31.67110 
1 1 1   64   22    6 f  258.264   31.697 31761.10  6507.41   0.0000   0.0000 31761.10  6507.41  ?   ?   258.264   31.697 0.000000 31.69703 
1 1 1   64   22    7 o  128.273   26.888  7722.56  2710.89  9868.41  6710.96  7304.13  2963.43  128.573   47.941  122.726   29.993 5.846497 56.54970 
1 1 1   64   22    8 o  205.617   25.822 19498.57  4216.01 16094.02  8832.98 20503.02  4797.79  149.404   55.140  207.524   29.287 -58.11932 62.43527 
1 1 1   64   22    9 o  164.936   17.731 11868.85  2337.29 11306.82  9089.27 11908.65  2418.63  125.667   52.740  164.793   18.389 -39.12608 55.85438 
1 1 1   64   22   10 o   31.775   14.986 -1005.0790  1006.28 12527.06  7967.97 -1224.4060  1014.40  128.706   51.094   30.658   14.628 98.04821 53.14633 
1 1 1   64   22   11 o  134.301   29.407  9205.40  3117.86 16656.16  9893.11  8383.76  3285.28  130.308   54.873  125.262   32.142 5.046448 63.59339 
1 1 1   64   22   12 o  116.896   22.113  6515.50  2022.00 13151.72  8697.04  6136.30  2078.97  115.886   50.179  112.238   23.563 3.647995 55.43600 
1 1 1   64   22   13 o   53.236   21.804  881.764  1501.74   0.0000   0.0000  881.764  1501.74  ?   ?    53.236   21.804 0.000000 21.80377 
1 1 1   64   24    0 o  141.251   35.595 10227.36  4080.85   0.0000   0.0000 10227.36  4080.85  ?   ?   141.251   35.595 0.000000 35.59516 
1 1 1   64   24    1 o  134.564   40.537  9876.76  4794.21   0.0000   0.0000  9876.76  4794.21  ?   ?   134.564   40.537 0.000000 40.53694 
1 1 1   64   24    2 o   78.086   32.034  1909.70  3248.30   0.0000   0.0000  1909.70  3248.30  ?   ?    78.086   32.034 0.000000 32.03416 
1 1 1   64   24    3 o   61.719   26.069  639.499  2243.86   0.0000   0.0000  639.499  2243.86  ?   ?    61.719   26.069 0.000000 26.06917 
1 1 1   64   24    7 o   76.532   30.049  2333.72  2727.92   0.0000   0.0000  2333.72  2727.92  ?   ?    76.532   30.049 0.000000 30.04928 
1 1 1   64   24    8 o  232.178   33.513 27784.76  6135.08   0.0000   0.0000 27784.76  6135.08  ?   ?   232.178   33.513 0.000000 33.51344 
1 1 1   64   24    9 o   93.699   21.205  4106.59  1575.62  5858.66  9746.99  4059.57  1596.62  102.409   47.762   92.952   21.571 9.456863 52.40743 
1 1 1   64   24   10 o   80.473   20.727  3067.60  1362.63  5831.89 10218.00  3017.55  1374.91   98.349   46.785   79.705   20.964 18.64384 51.26702 
1 1 1   64   24   11 o   65.650   26.331  1759.39  2138.00   0.0000   0.0000  1759.39  2138.00  ?   ?    65.650   26.331 0.000000 26.33137 
1 1 1   64   24   12 o  121.079   34.029  9083.02  3484.48   0.0000   0.0000  9083.02  3484.48  ?   ?   121.079   34.029 0.000000 34.02926 
1 1 1   64   26    0 o   69.272   30.531  480.138  3345.21   0.0000   0.0000  480.138  3345.21  ?   ?    69.272   30.531 0.000000 30.53129 
1 1 1   64   26    1 o   79.380   34.782  1366.39  4285.03   0.0000   0.0000  1366.39  4285.03  ?   ?    79.380   34.782 0.000000 34.78221 
1 1 1   64   26    2 o  135.267   39.259 10381.17  4565.62   0.0000   0.0000 10381.17  4565.62  ?   ?   135.267   39.259 0.000000 39.25921 
1 1 1   64   26    3 o   69.490   31.383 -147.2448  3768.50   0.0000   0.0000 -147.2448  3768.50  ?   ?    69.490   31.383 0.000000 31.38317 
1 1 1   64   26    4 o  121.924   40.117  8742.19  4599.19   0.0000   0.0000  8742.19  4599.19  ?   ?   121.924   40.117 0.000000 40.11718 
1 1 1   64   26    5 o  184.440   35.353 18132.77  5101.80   0.0000   0.0000 18132.77  5101.80  ?   ?   184.440   35.353 0.000000 35.35335 
1 1 1   64   26    7 o  106.956   50.627  9189.23 11677.84  9189.23 11677.84   0.0000   0.0000  106.956   50.627  ?   ?  0.000000 50.62682 
1 1 1   64   26    9 o   30.651   14.373 -775.8270  902.561   0.0000   0.0000 -775.8270  902.561  ?   ?    30.651   14.373 0.000000 14.37268 
1 1 1   64   26   10 o   58.715   26.334  362.202  2601.50   0.0000   0.0000  362.202  2601.50  ?   ?    58.715   26.334 0.000000 26.33352 
1 1 1   64   26   11 o   85.003   32.783  4686.08  3201.55   0.0000   0.0000  4686.08  3201.55  ?   ?    85.003   32.783 0.000000 32.78252 
1 1 1   64   28    0 o   84.535   36.836  2920.80  4747.08   0.0000   0.0000  2920.80  4747.08  ?   ?    84.535   36.836 0.000000 36.83604 
1 1 1   64   28    1 o  158.980   49.375 18735.79  7043.33   0.0000   0.0000 18735.79  7043.33  ?   ?   158.980   49.375 0.000000 49.37517 
1 1 1   64   28    2 o  192.669   48.742 25785.86  7631.01   0.0000   0.0000 25785.86  7631.01  ?   ?   192.669   48.742 0.000000 48.74236 
1 1 1   64   28    3 o   38.363   19.272 -6761.7231  2655.55   0.0000   0.0000 -6761.7231  2655.55  ?   ?    38.363   19.272 0.000000 19.27177 
1 1 1   64   28    4 o   80.350   33.635  2887.50  3681.86   0.0000   0.0000  2887.50  3681.86  ?   ?    80.350   33.635 0.000000 33.63528 
1 1 1   64   28    5 o   53.842   25.245 -1405.8820  2783.90   0.0000   0.0000 -1405.8820  2783.90  ?   ?    53.842   25.245 0.000000 25.24545 
1 1 1   64   28    6 f  157.299   41.668 16524.01  5406.73   0.0000   0.0000 16524.01  5406.73  ?   ?   157.299   41.668 0.000000 41.66846 
1 1 1   64   28    7 o   51.721   24.076 -931.8895  2457.83   0.0000   0.0000 -931.8895  2457.83  ?   ?    51.721   24.076 0.000000 24.07581 
1 1 1   64   30    0 o  103.260   43.548  9384.17  6245.92   0.0000   0.0000  9384.17  6245.92  ?   ?   103.260   43.548 0.000000 43.54794 
1 1 1   64   30    1 o   63.801   31.070 -3183.9570  5174.43   0.0000   0.0000 -3183.9570  5174.43  ?   ?    63.801   31.070 0.000000 31.06979 
1 1 1   64   30    2 o   75.444   35.343  1334.16  5435.45   0.0000   0.0000  1334.16  5435.45  ?   ?    75.444   35.343 0.000000 35.34272 
1 1 1   64   30    3 o  100.413   42.697  8901.24  6085.86   0.0000   0.0000  8901.24  6085.86  ?   ?   100.413   42.697 0.000000 42.69745 
1 1 1   64   30    4 o   93.526   39.988  7045.86  5391.46   0.0000   0.0000  7045.86  5391.46  ?   ?    93.526   39.988 0.000000 39.98818 
1 1 1   64   30    5 o   49.334   24.409 -4896.9570  3620.27   0.0000   0.0000 -4896.9570  3620.27  ?   ?    49.334   24.409 0.000000 24.40894 
1 1 1   64   30    6 o   78.319   35.493  3874.55  4868.23   0.0000   0.0000  3874.55  4868.23  ?   ?    78.319   35.493 0.000000 35.49258 
1 1 1   64   30    7 o   74.540   33.293  3436.92  4112.83   0.0000   0.0000  3436.92  4112.83  ?   ?    74.540   33.293 0.000000 33.29326 
1 1 1   64   32    0 o   62.540   31.290 -4254.7090  6667.08   0.0000   0.0000 -4254.7090  6667.08  ?   ?    62.540   31.290 0.000000 31.29037 
1 1 1   64   32    1 o   86.413   39.787  8373.66  6443.16   0.0000   0.0000  8373.66  6443.16  ?   ?    86.413   39.787 0.000000 39.78662 
1 1 1   64   32    2 o   77.501   37.244  5093.65  6838.65   0.0000   0.0000  5093.65  6838.65  ?   ?    77.501   37.244 0.000000 37.24413 
1 1 1   64   32    3 o   72.634   35.098  3079.49  6276.59   0.0000   0.0000  3079.49  6276.59  ?   ?    72.634   35.098 0.000000 35.09784 
1 1 1   64   32    4 o   60.856   29.175   11.860  4141.25   0.0000   0.0000   11.860  4141.25  ?   ?    60.856   29.175 0.000000 29.17506 
1 1 1   65    1    0 o  493.613   26.213 101376.00 10468.56 95974.52 14766.72 106833.60 14843.13  473.527   38.745  501.014   36.743 -27.48758 53.39729 
1 1 1   65    1    1 o  443.516   23.830 81531.09  8550.22 86180.95 12051.87 76819.05 12132.20  451.808   33.082  425.221   35.462 26.58646 48.49732 
1 1 1   65    1    2 o  121.688   12.627  6106.65  1229.44  6326.06  1677.48  5852.01  1807.14  123.076   17.261  117.823   19.577 5.252838 26.09934 
1 1 1   65    1    3 o  521.039   27.051 113158.90 11405.20 120859.60 16070.56 105344.40 16188.86  532.319   37.419  494.672   40.665 37.64731 55.26149 
1 1 1   65    1    4 o  636.142   32.350 170653.41 16654.74 166373.09 23486.99 174982.41 23620.30  615.204   47.383  632.021   46.351 -16.81708 66.28384 
1 1 1   65    1    5 o  382.836   16.824 60138.44  5229.80 61468.94  6579.40 57855.14  8619.02  385.332   21.109  370.696   28.863 14.63614 35.75823 
1 1 1   65    1    6 f  289.411   13.887 34285.50  3263.30 34456.12  4588.77 34110.91  4641.68  288.294   19.721  286.736   20.063 1.557709 28.13300 
1 1 1   65    1    7 o   77.395   10.339  2487.72  633.470  2659.42  852.745  2276.28  946.257   79.457   13.713   72.976   16.372 6.481857 21.35649 
1 1 1   65    1    8 o  155.199   9.8016  9874.04  1228.82  9399.13  1702.99 10389.88  1774.88  150.621   14.088  158.457   13.937 -7.836151 19.81698 
1 1 1   65    1    9 o  155.477   12.799  9992.33  1601.47  9683.75  1781.48 11291.99  3656.05  152.642   14.550  159.912   29.235 -7.269913 32.65530 
1 1 1   65    1   10 o   41.915   16.276  468.428  793.405 -1549.5830  2424.15  710.531  839.650   53.324   24.497   46.163   17.007 7.161682 29.82185 
1 1 1   65    1   11 o   28.970   12.591 -85.1868  551.722 -354.6164  869.534   96.382  713.814   34.138   15.274   35.305   14.797 -1.167465 21.26546 
1 1 1   65    1   12 o  198.007   11.389 16180.87  1823.38 16768.80  2576.55 15591.02  2580.75  200.027   15.998  192.574   16.669 7.453384 23.10389 
1 1 1   65    1   13 o  102.272   12.061  4374.98  982.259  5573.71  1336.74  2968.02  1448.19  114.877   14.666   81.829   21.512 33.04807 26.03555 
1 1 1   65    1   14 o  142.369   11.590  8430.27  1328.21  7614.06  1868.91  9263.22  1887.97  133.135   17.729  147.749   15.993 -14.61487 23.87657 
1 1 1   65    1   15 o   69.633   15.982  2124.36  884.502  1582.71  1218.04  2728.63  1286.51   61.575   20.658   78.055   20.158 -16.48053 28.86367 
1 1 1   65    1   16 o  128.919   12.704  7017.15  1312.52  5671.31  1900.84  8243.56  1814.54  111.730   21.735  138.100   16.509 -26.36969 27.29409 
1 1 1   65    1   17 o   37.186   16.086 -12.6248  891.965 -294.6091  1327.64  219.370  1204.23   42.549   18.966   44.822   19.024 -2.273621 26.86333 
1 1 1   65    1   18 o   80.678   18.326  3007.29  1173.15  4073.79  1677.14  1985.52  1641.60   91.640   22.666   66.259   23.874 25.38170 32.91978 
1 1 1   65    3    0 o  384.496   21.201 61081.23  6593.17 53218.63  9196.42 69396.38  9457.37  354.727   32.282  406.999   28.804 -52.27179 43.26450 
1 1 1   65    3    1 o  679.792   34.543 195342.80 19004.19 183200.09 26719.25 207774.70 27035.52  642.884   51.622  687.956   48.714 -45.07190 70.97765 
1 1 1   65    3    2 o  562.175   29.059 132183.50 13219.07 133507.80 18509.26 130804.70 18885.59  556.856   41.229  550.102   42.614 6.753052 59.29409 
1 1 1   65    3    3 o  197.500   13.410 16004.16  2137.81 15819.38  2848.05 16242.64  3235.52  195.501   18.149  197.616   20.461 -2.115097 27.34977 
1 1 1   65    3    4 o  259.976   15.099 27753.29  3173.51 26303.93  4314.13 29462.43  4684.81  251.653   21.313  266.280   21.861 -14.62650 30.53116 
1 1 1   65    3    5 f  106.981   9.8324  4702.94  844.532  5585.07  1110.11  3490.92  1301.22  116.370   11.917   90.556   18.326 25.81358 21.85969 
1 1 1   65    3    6 o  238.608   11.827 23257.69  2291.33 23284.78  3178.76 23228.38  3305.82  237.483   16.589  237.022   17.297 0.4605103 23.96606 
1 1 1   65    3    7 o  134.200   11.729  7419.40  1265.17  6379.37  1392.21 12350.92  3031.59  123.935   14.085  170.844   22.393 -46.90868 26.45456 
1 1 1   65    3    8 o  107.044   9.9204  4719.73  852.441  4942.60  1155.53  4453.62  1262.65  108.949   13.341  102.850   15.610 6.099228 20.53415 
1 1 1   65    3    9 o  102.294   10.232  4322.17  838.467  3869.49  1120.42  4898.37  1264.08   95.784   14.890  108.033   14.800 -12.24877 20.99363 
1 1 1   65    3   10 o  112.065   10.228  5183.93  920.463  5727.44  1273.35  4589.12  1332.09  117.129   13.645  104.022   16.307 13.10601 21.26288 
1 1 1   65    3   11 o  130.537   14.861  7144.29  1547.04 -1730.2950  3734.41  8982.84  1699.75   67.373   30.746  146.665   14.461 -79.29254 33.97685 
1 1 1   65    3   12 f   91.086   11.571  3467.74  836.499  3060.26  1167.22  3898.00  1199.41   83.986   17.676   95.515   16.033 -11.52853 23.86421 
1 1 1   65    3   13 o  167.112   11.209 11556.35  1512.10 11680.38  2151.81 11435.36  2125.30  166.354   16.133  164.595   16.109 1.759277 22.79884 
1 1 1   65    3   14 o  210.938   12.067 18482.04  2058.14 18762.42  2953.25 18217.27  2869.82  209.975   17.481  207.019   17.229 2.956284 24.54437 
1 1 1   65    3   15 o   50.510   17.247  1018.63  849.192  2289.49  1186.20 -317.3962  1216.24   71.678   19.749   41.065   18.238 30.61319 26.88267 
1 1 1   65    3   16 o  252.561   13.201 26847.33  2697.78 26347.50  3802.25 27354.05  3828.35  245.400   19.236  250.303   18.978 -4.902374 27.02218 
1 1 1   65    3   17 o  104.296   13.760  4688.54  1136.79  3143.15  1507.07  6728.56  1731.53   81.714   22.157  123.042   17.853 -41.32816 28.45412 
1 1 1   65    3   18 o   85.843   16.041  3311.97  1076.98  2973.35  1413.11  3781.22  1663.52   78.643   21.509   87.882   23.033 -9.238937 31.51478 
1 1 1   65    5    0 o  235.196   11.482 22558.60  2192.78 21699.16  2517.06 25264.29  4466.05  230.082   13.533  246.353   22.578 -16.27075 26.32310 
1 1 1   65    5    1 o  437.118   23.122 79183.16  8177.44 78163.08 11270.55 80317.12 11883.03  430.059   32.516  435.242   33.892 -5.183533 46.96766 
1 1 1   65    5    2 o   98.624   11.367  4018.21  893.580  4227.61  1060.29  3504.89  1660.10  100.890   13.265   90.381   22.663 10.50928 26.25931 
1 1 1   65    5    3 o  104.252   10.944  4479.27  912.551  4186.75  1093.83  5149.00  1655.11  100.293   13.797  110.372   19.164 -10.07961 23.61376 
1 1 1   65    5    4 o  149.330   11.043  9143.83  1329.45  6572.59  1676.48 13500.36  2182.22  125.475   16.884  180.987   14.984 -55.51150 22.57412 
1 1 1   65    5    5 o  446.404   18.293 82027.90  6630.47 81701.63  7838.47 82848.55 12431.49  444.265   21.730  439.421   35.136 4.844269 41.31236 
1 1 1   65    5    6 o  283.861   13.113 32982.19  3022.40 33977.40  4188.92 31901.46  4365.18  286.514   18.099  277.153   19.522 9.361206 26.62126 
1 1 1   65    5    7 o  245.419   12.190 24657.73  2429.05 24810.93  3374.89 24493.07  3498.85  244.633   17.098  242.821   17.872 1.811615 24.73335 
1 1 1   65    5    8 o  271.177   13.496 30214.29  2971.72 28281.70  3741.70 33515.93  4890.63  260.655   17.785  282.299   21.498 -21.64307 27.90121 
1 1 1   65    5    9 o  174.433   10.705 12505.96  1508.89 12098.49  2075.92 12962.36  2197.00  170.510   15.152  176.442   15.492 -5.932434 21.66998 
1 1 1   65    5   10 o  130.439   10.001  7006.29  1051.19  6491.77  1444.66  7585.22  1532.44  124.530   14.562  134.822   14.213 -10.29226 20.34863 
1 1 1   65    5   11 o  199.610   11.181 16419.62  1804.87 16123.43  2547.13 16718.29  2557.85  196.235   16.129  199.933   15.887 -3.698074 22.63919 
1 1 1   65    5   12 o  229.621   12.020 21797.20  2233.19 19182.51  3178.38 24346.54  3138.41  212.706   18.590  241.019   16.130 -28.31363 24.61210 
1 1 1   65    5   13 o  186.711   11.126 14417.42  1679.11 12942.67  2348.49 15959.67  2401.64  174.835   16.748  194.931   15.296 -20.09573 22.68217 
1 1 1   65    5   14 o  205.824   11.861 17598.19  1973.80 16470.78  2789.40 18728.81  2793.36  196.404   17.681  210.171   16.501 -13.76759 24.18487 
1 1 1   65    5   15 o  123.135   11.636  6347.50  1149.58  6128.41  1538.58  6624.38  1729.65  119.271   16.315  123.447   17.768 -4.176003 24.12198 
1 1 1   65    5   16 o   48.184   16.133  951.920  742.841  1553.95  923.718 -150.1444  1249.78   59.414   17.770   42.656   18.735 16.75841 25.82203 
1 1 1   65    5   17 o   30.860   13.752 -213.1156  697.502 -246.7257  818.323 -123.8320  1333.75   33.312   14.867   43.796   19.292 -10.48403 24.35570 
1 1 1   65    5   18 o  102.065   13.953  4562.15  1126.09  4317.41  1410.05  4993.09  1871.07   96.615   18.650  100.804   23.323 -4.188789 29.86246 
1 1 1   65    7    4 o  297.209   16.983 36403.06  4081.42 37214.96  5447.66 35364.22  6162.15  298.821   22.620  289.871   26.473 8.949707 34.82099 
1 1 1   65    7    5 o  160.997   11.635 10642.91  1510.69 10814.31  1841.65 10290.33  2641.31  161.862   14.155  156.211   21.386 5.650360 25.64605 
1 1 1   65    7    6 o  178.350   9.9555 13022.05  1435.94 12093.61  1907.04 14237.63  2182.10  171.177   13.839  185.661   14.592 -14.48363 20.11120 
1 1 1   65    7    7 o  172.608   10.281 12217.55  1434.42 11729.61  1926.74 12824.27  2148.48  168.341   14.229  175.844   15.197 -7.503403 20.81865 
1 1 1   65    7    8 o  222.529   11.716 20356.47  2109.50 20547.93  2907.90 20143.78  3064.86  222.325   16.220  219.759   17.316 2.565979 23.72673 
1 1 1   65    7    9 f   89.000   10.716  3291.04  758.838  2447.54  900.350  5359.73  1409.99   75.652   15.185  112.729   15.842 -37.07659 21.94399 
1 1 1   65    7   10 o  123.795   9.9138  6316.20  988.150  6117.65  1296.90  6591.00  1525.74  121.068   13.418  125.220   15.326 -4.152245 20.37007 
1 1 1   65    7   11 o  314.792   13.533 40977.60  3459.10 41307.00  4908.13 40652.52  4875.84  312.511   19.439  309.996   19.470 2.514374 27.51268 
1 1 1   65    7   12 o  124.470   14.979  6535.31  1483.43  6235.99  4164.65  6578.81  1587.55  114.617   38.197  124.540   16.074 -9.922806 41.44181 
1 1 1   65    7   13 o  124.220   10.707  6402.68  1069.37  5562.89  1429.63  7469.38  1611.24  114.234   15.839  132.873   15.208 -18.63961 21.95846 
1 1 1   65    7   14 o   32.186   13.303  136.561  565.557   51.453  659.882  372.070  1097.70   33.289   14.103   45.402   18.624 -12.11330 23.36087 
1 1 1   65    7   15 o  205.211   11.115 17520.74  1845.11 15089.87  2542.85 20223.74  2681.42  187.440   16.889  218.259   15.226 -30.81940 22.73932 
1 1 1   65    7   16 o   43.750   15.610  724.694  700.187  132.682  842.638  2045.32  1258.53   37.877   15.986   67.386   20.862 -29.50895 26.28244 
1 1 1   65    7   17 o   21.568   10.597 -1266.7050  643.127 -882.0775  774.353 -2121.9619  1154.69   27.204   12.923   29.109   14.281 -1.905062 19.26003 
1 1 1   65    7   18 o   62.370   17.403  1802.28  914.748  1514.23  1109.55  2413.51  1616.27   57.943   19.715   70.322   23.796 -12.37926 30.90193 
1 1 1   65    9    0 o  149.744   25.053  9561.98  2938.54   0.0000   0.0000  9561.98  2938.54  ?   ?   149.744   25.053 0.000000 25.05326 
1 1 1   65    9    1 o  283.384   26.656 33794.76  6061.33   0.0000   0.0000 33794.76  6061.33  ?   ?   283.384   26.656 0.000000 26.65554 
1 1 1   65    9    2 o   98.915   23.721  4222.03  1880.56   0.0000   0.0000  4222.03  1880.56  ?   ?    98.915   23.721 0.000000 23.72077 
1 1 1   65    9    3 o  231.859   23.627 22565.92  4385.85   0.0000   0.0000 22565.92  4385.85  ?   ?   231.859   23.627 0.000000 23.62665 
1 1 1   65    9    4 o  243.255   23.895 24888.77  4658.62   0.0000   0.0000 24888.77  4658.62  ?   ?   243.255   23.895 0.000000 23.89460 
1 1 1   65    9    5 o   77.681   20.822  2592.93  1340.05  1432.58  2960.60  2891.91  1502.80   77.502   31.021   81.942   22.086 -4.439735 38.07998 
1 1 1   65    9    6 o   43.339   9.7849  797.333  336.173  790.411  351.498  871.565  1151.05   43.129   10.198   52.737   19.817 -9.608250 22.28691 
1 1 1   65    9    7 o  157.295   9.9326 10153.49  1262.06  9860.68  1612.69 10616.20  2027.23  154.411   12.983  159.564   15.857 -5.152130 20.49414 
1 1 1   65    9    8 o  115.668   8.9440  5498.06  833.487  4621.58  1034.53  7119.38  1407.04  105.373   12.324  130.837   13.435 -25.46400 18.23165 
1 1 1   65    9    9 o  114.560   9.2006  5401.36  848.612  4011.00  1067.35  7790.42  1399.13   97.661   13.848  136.993   12.724 -39.33175 18.80574 
1 1 1   65    9   10 o  105.588   10.044  4610.70  850.770  4799.31  1072.29  4290.25  1397.72  107.210   12.556   99.872   17.893 7.337288 21.85905 
1 1 1   65    9   11 o  164.544   10.445 11165.24  1388.20 10341.78  1860.65 12199.08  2084.83  157.112   14.758  170.587   15.211 -13.47464 21.19421 
1 1 1   65    9   12 o   34.885   13.042  385.090  497.347  777.809  580.250 -702.2720  965.520   43.854   14.241   33.362   15.376 10.49219 20.95744 
1 1 1   65    9   13 o   21.457   10.071 -456.5956  444.928 -290.2220  503.273 -1051.9260  952.008   25.040   11.373   30.643   14.490 -5.603483 18.41966 
1 1 1   65    9   14 o  130.371   10.880  7078.35  1141.22  6675.01  1484.78  7660.60  1783.96  125.211   14.897  133.432   16.841 -8.220764 22.48404 
1 1 1   65    9   15 o  159.266   11.110 10590.88  1427.79  9789.04  1883.52 11674.06  2189.16  151.092   15.576  164.541   16.613 -13.44864 22.77314 
1 1 1   65    9   16 o   46.015   15.560  865.256  691.123  258.857  819.763  2355.51  1285.11   38.815   16.027   71.523   20.849 -32.70759 26.29728 
1 1 1   65    9   17 f   27.696   12.653 -363.3340  634.562 -824.1228  725.179  1142.53  1310.95   26.326   12.506   55.045   21.040 -28.71856 24.47617 
1 1 1   65   11    0 o  381.475   33.169 62429.69 10171.66   0.0000   0.0000 62429.69 10171.66  ?   ?   381.475   33.169 0.000000 33.16893 
1 1 1   65   11    1 o  161.794   24.611 11150.11  3131.23   0.0000   0.0000 11150.11  3131.23  ?   ?   161.794   24.611 0.000000 24.61066 
1 1 1   65   11    2 f  444.602   36.331 85799.76 13001.05   0.0000   0.0000 85799.76 13001.05  ?   ?   444.602   36.331 0.000000 36.33130 
1 1 1   65   11    3 o  396.168   33.055 67698.83 10536.01   0.0000   0.0000 67698.83 10536.01  ?   ?   396.168   33.055 0.000000 33.05539 
1 1 1   65   11    4 o  225.432   23.874 21514.88  4303.50   0.0000   0.0000 21514.88  4303.50  ?   ?   225.432   23.874 0.000000 23.87416 
1 1 1   65   11    5 o  104.089   20.863  4670.35  1701.82  2314.88  3574.50  5360.76  1935.22   87.925   34.434  111.357   22.182 -23.43230 40.96066 
1 1 1   65   11    6 o   85.471   21.506  3179.87  1491.22  7455.47  3359.29  2130.57  1664.18  128.425   32.258   72.494   24.145 55.93103 40.29365 
1 1 1   65   11    7 o  184.654   18.194 14332.60  2692.44 13876.26  5084.57 14510.42  3173.96  172.908   37.311  184.550   21.589 -11.64244 43.10672 
1 1 1   65   11    8 o  135.993   9.0056  7593.94  988.786  6977.38  1215.55  8799.87  1699.99  129.824   11.656  145.184   14.620 -15.35950 18.69726 
1 1 1   65   11    9 o  173.950   9.3988 12424.17  1322.58 10916.06  1700.00 14736.63  2105.07  162.161   13.021  188.305   13.865 -26.14464 19.02091 
1 1 1   65   11   10 o   96.184   9.5899  3829.13  738.970  3801.96  822.485  3942.91  1683.09   95.598   10.784   94.310   22.325 1.288269 24.79373 
1 1 1   65   11   11 o  252.194   11.121 26199.23  2277.32 23097.25  3102.96 29820.77  3352.77  234.295   16.414  266.820   15.543 -32.52542 22.60564 
1 1 1   65   11   12 o   72.536   10.441  2209.43  597.200  1965.95  677.890  3053.45  1262.11   67.805   12.782   83.188   19.090 -15.38320 22.97382 
1 1 1   65   11   13 o  143.485   16.381  8797.22  1874.31  5443.49  5713.77  9201.62  1984.10  108.526   43.209  146.510   16.994 -37.98484 46.43037 
1 1 1   65   11   14 o  198.794   11.471 16470.63  1843.73 16063.41  2490.05 16964.82  2743.14  194.001   15.949  198.641   17.177 -4.639725 23.43925 
1 1 1   65   11   15 o   35.367   13.029  428.623  492.841  453.597  540.040  304.196  1205.43   36.665   13.614   45.859   19.224 -9.193737 23.55658 
1 1 1   65   11   16 o   78.588   11.845  2651.19  732.384  2372.18  837.157  3561.24  1511.94   73.285   14.582   86.911   21.535 -13.62663 26.00737 
1 1 1   65   11   17 o   54.665   14.016  1339.16  625.048  1382.99  691.186  1142.44  1464.25   55.370   15.001   55.896   21.993 -0.5257263 26.62235 
1 1 1   65   13    0 o  163.419   27.592 11569.41  3530.80   0.0000   0.0000 11569.41  3530.80  ?   ?   163.419   27.592 0.000000 27.59175 
1 1 1   65   13    1 o  283.203   28.224 34328.93  6403.59   0.0000   0.0000 34328.93  6403.59  ?   ?   283.203   28.224 0.000000 28.22352 
1 1 1   65   13    2 o  251.775   26.624 27087.46  5360.30   0.0000   0.0000 27087.46  5360.30  ?   ?   251.775   26.624 0.000000 26.62424 
1 1 1   65   13    3 o  389.645   33.453 66450.13 10481.21   0.0000   0.0000 66450.13 10481.21  ?   ?   389.645   33.453 0.000000 33.45309 
1 1 1   65   13    4 o  185.420   23.767 14713.55  3495.84   0.0000   0.0000 14713.55  3495.84  ?   ?   185.420   23.767 0.000000 23.76672 
1 1 1   65   13    5 o  302.731   21.520 38693.62  5255.28 43324.59  8762.13 36091.79  6567.70  310.757   35.355  288.261   28.430 22.49643 45.36808 
1 1 1   65   13    6 o  411.878   26.488 73141.38  8811.40 67290.76 13648.59 77322.45 11538.03  374.298   45.869  415.257   34.533 -40.95944 57.41489 
1 1 1   65   13    7 o   76.035   22.391  2502.51  1475.59 -1006.2320  3684.76  3172.67  1610.35   69.935   31.355   84.948   22.849 -15.01336 38.79669 
1 1 1   65   13    8 f  168.509   15.799 11905.33  2136.38 21114.57  5346.27 10155.33  2330.54  216.281   31.358  154.419   18.987 61.86157 36.65847 
1 1 1   65   13    9 o  187.127   15.721 14686.97  2366.49 18897.79  5880.52 13873.25  2585.06  198.987   37.778  181.015   17.819 17.97221 41.76923 
1 1 1   65   13   10 o  326.195   18.714 45110.73  4935.77 49169.47 10373.57 43922.98  5611.69  316.451   41.362  319.497   21.761 -3.045502 46.73719 
1 1 1   65   13   11 o  143.455   10.017  8504.43  1159.45  8139.35  1424.58  9220.82  1995.57  139.581   12.709  147.067   17.026 -7.486435 21.24637 
1 1 1   65   13   12 o  150.422   9.0750  9330.70  1103.21  7099.75  1345.04 13916.82  1928.47  130.053   12.908  182.403   13.108 -52.34926 18.39673 
1 1 1   65   13   13 o  117.088   9.2359  5680.12  870.943  5127.17  1020.90  7158.59  1669.35  110.573   11.541  129.025   16.298 -18.45150 19.97039 
1 1 1   65   13   14 o   65.803   9.9723  1830.83  516.128  1829.05  562.589  1840.34  1297.02   65.513   10.964   64.897   21.302 0.6157761 23.95752 
1 1 1   65   13   15 o   73.848   10.230  2309.91  596.963  2374.32  652.385  1978.40  1480.02   74.623   11.105   66.677   22.770 7.945419 25.33353 
1 1 1   65   13   16 o   64.712   11.077  1806.59  561.085  1676.43  604.606  2614.34  1506.13   61.838   12.472   73.727   22.822 -11.88936 26.00716 
1 1 1   65   15    0 o  104.332   30.879  4824.48  2800.22   0.0000   0.0000  4824.48  2800.22  ?   ?   104.332   30.879 0.000000 30.87949 
1 1 1   65   15    1 o  181.923   27.157 14416.54  3888.70   0.0000   0.0000 14416.54  3888.70  ?   ?   181.923   27.157 0.000000 27.15736 
1 1 1   65   15    2 o  146.671   26.699  9447.16  3062.51   0.0000   0.0000  9447.16  3062.51  ?   ?   146.671   26.699 0.000000 26.69915 
1 1 1   65   15    3 o  349.593   31.879 53983.74  8949.49   0.0000   0.0000 53983.74  8949.49  ?   ?   349.593   31.879 0.000000 31.87858 
1 1 1   65   15    4 o  151.713   25.200 10065.14  2995.32   0.0000   0.0000 10065.14  2995.32  ?   ?   151.713   25.200 0.000000 25.19951 
1 1 1   65   15    5 f  235.372   20.991 23546.97  3969.52 23461.68  7063.42 23586.35  4799.05  222.250   40.639  232.968   25.803 -10.71719 48.13860 
1 1 1   65   15    6 o  259.052   21.650 28640.45  4512.06 28779.60  8057.76 28576.89  5445.96  244.361   42.133  255.646   26.627 -11.28490 49.84119 
1 1 1   65   15    7 o  213.191   20.545 19407.03  3512.43 19002.69  6615.81 19565.74  4144.82  196.094   42.756  211.902   24.544 -15.80740 49.30029 
1 1 1   65   15    8 o  415.496   27.299 76146.16  9158.51 74581.84 14601.70 77160.70 11759.16  381.241   48.250  406.681   35.982 -25.43958 60.18963 
1 1 1   65   15    9 o  147.913   16.667  9283.71  1966.83 11493.13  5657.13  8979.92  2097.70  148.715   43.856  144.837   18.242 3.877808 47.49852 
1 1 1   65   15   10 o   61.183   20.425  1543.61  1190.62  2073.81  4751.03  1508.08  1229.86   90.000   37.970   60.961   20.757 29.03914 43.27271 
1 1 1   65   15   11 o   97.169   22.367  4260.84  1728.17  8642.06  5449.33  3770.93  1822.23  127.007   43.682   90.851   24.249 36.15592 49.96147 
1 1 1   65   15   12 o   41.535   18.042 -71.5824  1131.40 -407.3668  4337.39 -47.0672  1171.97   74.767   33.727   42.467   18.404 32.30023 38.42138 
1 1 1   65   15   13 o   87.433   22.710  3537.03  1626.73 10784.25  6287.02  3017.03  1684.07  131.779   46.802   80.710   23.961 51.06907 52.57903 
1 1 1   65   15   14 o   45.840   19.468  227.225  1262.46 -2166.4761  6471.60  321.920  1287.19   78.768   37.401   47.067   19.805 31.70058 42.32086 
1 1 1   65   15   15 o  144.985   18.616  9474.37  2140.86 17608.78  8524.38  8926.76  2211.75  138.397   53.459  139.585   20.094 -1.187820 57.11106 
1 1 1   65   15   16 f   74.783   9.7415  2380.62  577.470  2324.06  614.667  2805.95  1685.61   73.570   10.595   74.851   24.269 -1.280212 26.48135 
1 1 1   65   17    0 o  360.534   35.618 59290.23 10290.56   0.0000   0.0000 59290.23 10290.56  ?   ?   360.534   35.618 0.000000 35.61801 
1 1 1   65   17    1 f  108.048   30.803  5310.48  2834.12   0.0000   0.0000  5310.48  2834.12  ?   ?   108.048   30.803 0.000000 30.80329 
1 1 1   65   17    2 o   92.933   29.225  3808.26  2458.94   0.0000   0.0000  3808.26  2458.94  ?   ?    92.933   29.225 0.000000 29.22499 
1 1 1   65   17    3 o  112.342   28.225  5721.22  2571.36   0.0000   0.0000  5721.22  2571.36  ?   ?   112.342   28.225 0.000000 28.22487 
1 1 1   65   17    4 o   69.193   25.900  1674.62  1962.49   0.0000   0.0000  1674.62  1962.49  ?   ?    69.193   25.900 0.000000 25.90025 
1 1 1   65   17    5 o  244.905   22.113 25781.05  4349.93 23632.89  7587.23 26832.88  5309.14  217.350   44.490  246.672   26.946 -29.32196 52.01354 
1 1 1   65   17    6 o   60.690   22.331  1316.10  1447.05 -494.0257  3729.35  1636.93  1570.06   71.792   31.909   65.398   23.371 6.394173 39.55210 
1 1 1   65   17    7 o  229.489   21.500 22719.51  3959.48 28467.35  7543.22 20533.55  4651.85  241.427   39.872  214.285   27.360 27.14154 48.35654 
1 1 1   65   17    8 o  135.195   23.163  8103.95  2451.23  7107.04  5786.79  8321.94  2705.99  120.145   44.573  135.915   25.455 -15.77090 51.32953 
1 1 1   65   17    9 o   50.504   20.030  663.510  1223.45  7116.62  5193.64  284.373  1258.88  118.656   42.496   47.162   19.699 71.49338 46.83936 
1 1 1   65   17   10 o  113.150   18.739  5597.18  1661.41  9995.81  6162.28  5252.39  1725.30  133.352   46.418  108.910   20.255 24.44199 50.64508 
1 1 1   65   17   11 o   61.811   24.700  1112.53  1873.72  5498.83  5855.72  612.194  1977.70  107.147   43.365   58.848   24.644 48.29853 49.87814 
1 1 1   65   17   12 f  166.530   18.173 12098.63  2417.46 11068.52  7888.31 12205.40  2539.66  128.687   50.916  166.675   19.111 -37.98753 54.38465 
1 1 1   65   17   13 o  103.801   22.669  5034.29  1857.09  5748.29  6450.73  4969.77  1939.19  103.075   43.897  102.496   23.764 0.5788269 49.91650 
1 1 1   65   17   14 o   87.263   23.681  3695.88  1720.72  4181.60  7998.45  3672.31  1761.98   95.278   44.032   86.767   24.132 8.511467 50.21124 
1 1 1   65   17   15 o  112.179   22.367  6090.67  1965.86  8915.25  9291.95  5958.32  2011.39  100.074   46.660  110.241   23.205 -10.16729 52.11161 
1 1 1   65   19    0 o  237.160   32.493 25852.30  6092.51   0.0000   0.0000 25852.30  6092.51  ?   ?   237.160   32.493 0.000000 32.49300 
1 1 1   65   19    1 o  207.504   30.661 19604.79  5010.36   0.0000   0.0000 19604.79  5010.36  ?   ?   207.504   30.661 0.000000 30.66097 
1 1 1   65   19    2 o  214.321   29.411 20738.78  4983.16   0.0000   0.0000 20738.78  4983.16  ?   ?   214.321   29.411 0.000000 29.41076 
1 1 1   65   19    3 o  206.245   28.419 19130.30  4632.82   0.0000   0.0000 19130.30  4632.82  ?   ?   206.245   28.419 0.000000 28.41927 
1 1 1   65   19    4 o  162.265   26.829 11832.18  3411.24   0.0000   0.0000 11832.18  3411.24  ?   ?   162.265   26.829 0.000000 26.82857 
1 1 1   65   19    5 o  136.867   28.906  8637.92  3111.62   0.0000   0.0000  8637.92  3111.62  ?   ?   136.867   28.906 0.000000 28.90592 
1 1 1   65   19    6 o  329.141   25.581 47956.77  6782.89 50610.56 11712.54 46617.66  8320.04  308.410   48.362  316.223   32.885 -7.812897 58.48326 
1 1 1   65   19    7 o  269.560   23.947 32034.49  5186.78 35538.40  9671.08 30619.67  6145.36  256.245   48.252  258.008   29.888 -1.763428 56.75855 
1 1 1   65   19    8 o  161.157   23.221 11563.33  2950.83 14855.39  6355.78 10658.74  3331.66  163.469   45.964  151.652   28.091 11.81783 53.86863 
1 1 1   65   19    9 o   46.843   18.767  530.883  1084.66  3112.15  6030.32  444.580  1102.65   98.036   42.113   46.155   18.768 51.88060 46.10609 
1 1 1   65   19   10 o   83.296   21.549  3161.97  1468.45 -3013.1670  6833.07  3460.97  1503.59   81.887   38.751   87.191   21.398 -5.303780 44.26616 
1 1 1   65   19   11 f  215.357   18.480 20252.36  3200.21  5204.10  9849.52 22028.45  3383.80  108.692   49.728  224.434   18.740 -115.7421 53.14217 
1 1 1   65   19   12 o  260.166   19.353 30022.64  4059.09 27649.95 11661.77 30349.72  4329.84  166.288   62.945  260.051   20.676 -93.76355 66.25410 
1 1 1   65   19   13 o  157.783   20.570 11415.81  2572.64  6150.42  9763.61 11808.66  2666.89  100.851   47.284  160.108   21.022 -59.25750 51.74664 
1 1 1   65   19   14 o   41.716   19.214 -725.3705  1504.61  4846.65  8751.59 -895.0855  1527.36   91.791   43.558   41.087   19.077 50.70359 47.55227 
1 1 1   65   21    2 o   61.460   26.585  145.204  2436.02   0.0000   0.0000  145.204  2436.02  ?   ?    61.460   26.585 0.000000 26.58472 
1 1 1   65   21    3 o  118.574   32.117  6755.65  3168.59   0.0000   0.0000  6755.65  3168.59  ?   ?   118.574   32.117 0.000000 32.11677 
1 1 1   65   21    4 o  110.111   31.650  5808.96  2980.20   0.0000   0.0000  5808.96  2980.20  ?   ?   110.111   31.650 0.000000 31.64961 
1 1 1   65   21    5 o   66.172   26.945  1118.22  2276.72   0.0000   0.0000  1118.22  2276.72  ?   ?    66.172   26.945 0.000000 26.94470 
1 1 1   65   21    6 o  196.781   25.603 17513.71  3993.88 20181.10  8619.69 16784.51  4506.86  179.147   54.442  188.800   30.434 -9.652985 62.37101 
1 1 1   65   21    7 o  113.748   27.392  6101.43  2499.72  6249.06  7241.61  6081.46  2663.43  113.318   47.281  112.761   28.944 0.5572662 55.43659 
1 1 1   65   21    8 o  208.024   25.040 19710.54  4144.59 27975.05  9320.09 17673.35  4627.30  209.206   54.369  191.859   30.741 17.34709 62.45790 
1 1 1   65   21    9 f  129.373   19.740  7437.23  2007.97 12277.52  8267.56  7133.82  2069.95  133.089   52.294  125.988   20.972 7.100746 56.34280 
1 1 1   65   21   10 o   38.052   16.952 -285.3655  1058.83  196.497  7630.16 -294.8268  1069.18   89.965   42.059   38.172   17.018 51.79294 45.37115 
1 1 1   65   21   11 o   67.613   23.266  2046.43  1546.05 -39.2531  8621.49  2115.73  1571.52   89.705   42.757   68.513   23.463 21.19167 48.77105 
1 1 1   65   21   12 o   46.071   19.691  241.310  1306.53   64.990  9030.67  245.080  1320.42   87.214   42.133   46.298   19.792 40.91698 46.55005 
1 1 1   65   21   13 o   56.367   22.507  1136.64  1554.51   0.0000   0.0000  1136.64  1554.51  ?   ?    56.367   22.507 0.000000 22.50745 
1 1 1   65   23    0 o  108.882   36.046  5969.89  3711.06   0.0000   0.0000  5969.89  3711.06  ?   ?   108.882   36.046 0.000000 36.04636 
1 1 1   65   23    5 o  138.300   33.577  9616.52  3732.74   0.0000   0.0000  9616.52  3732.74  ?   ?   138.300   33.577 0.000000 33.57732 
1 1 1   65   23    6 o  110.182   33.258  6165.92  3224.68   0.0000   0.0000  6165.92  3224.68  ?   ?   110.182   33.258 0.000000 33.25777 
1 1 1   65   23    7 f  106.140   31.871  5702.86  2967.05 15561.18  8668.72  4394.72  3157.78  144.895   54.396   94.388   33.207 50.50668 63.73085 
1 1 1   65   23    8 o  194.387   28.386 18218.96  4348.24 18737.11 10685.71 18116.14  4760.17  144.345   58.523  189.974   31.997 -45.62926 66.69915 
1 1 1   65   23    9 o  202.115   28.378 19981.46  4528.87 19716.14 11411.67 20031.06  4934.06  138.513   58.663  198.432   31.690 -59.91946 66.67535 
1 1 1   65   23   10 f  128.027   19.099  7429.15  1924.69  6654.37 10284.65  7457.27  1959.31  102.508   48.211  128.028   19.461 -25.51913 51.99025 
1 1 1   65   23   11 o  114.691   20.781  6184.50  1864.03 11996.27 10948.39  6011.00  1891.64  106.944   50.118  112.518   21.489 -5.574196 54.53098 
1 1 1   65   23   12 o   37.429   17.441 -854.7155  1295.34   0.0000   0.0000 -854.7155  1295.34  ?   ?    37.429   17.441 0.000000 17.44139 
1 1 1   65   25    0 o  126.700   37.276  8727.21  4091.10   0.0000   0.0000  8727.21  4091.10  ?   ?   126.700   37.276 0.000000 37.27552 
1 1 1   65   25    1 o   63.379   29.555 -1856.3220  3729.70   0.0000   0.0000 -1856.3220  3729.70  ?   ?    63.379   29.555 0.000000 29.55467 
1 1 1   65   25    2 o  120.761   36.521  7848.01  3885.86   0.0000   0.0000  7848.01  3885.86  ?   ?   120.761   36.521 0.000000 36.52139 
1 1 1   65   25    3 o  161.025   37.566 13923.34  4821.65   0.0000   0.0000 13923.34  4821.65  ?   ?   161.025   37.566 0.000000 37.56554 
1 1 1   65   25    7 o   64.349   26.860  1145.45  2338.51   0.0000   0.0000  1145.45  2338.51  ?   ?    64.349   26.860 0.000000 26.86016 
1 1 1   65   25    8 o  113.968   35.233  7473.30  3591.09   0.0000   0.0000  7473.30  3591.09  ?   ?   113.968   35.233 0.000000 35.23299 
1 1 1   65   25    9 o   88.789   32.143  4341.79  2980.68  3733.67 11314.25  4387.15  3089.83   93.726   45.708   88.990   32.648 4.735397 56.17067 
1 1 1   65   25   10 o   78.245   30.882  3182.82  2895.32   0.0000   0.0000  3182.82  2895.32  ?   ?    78.245   30.882 0.000000 30.88220 
1 1 1   65   25   11 o   75.940   30.569  3127.36  2893.01   0.0000   0.0000  3127.36  2893.01  ?   ?    75.940   30.569 0.000000 30.56923 
1 1 1   65   27    0 o  109.585   41.886  7581.66  5195.41   0.0000   0.0000  7581.66  5195.41  ?   ?   109.585   41.886 0.000000 41.88590 
1 1 1   65   27    1 o  152.580   47.453 16071.98  6502.99   0.0000   0.0000 16071.98  6502.99  ?   ?   152.580   47.453 0.000000 47.45261 
1 1 1   65   27    2 o   95.093   39.045  4839.60  4830.73   0.0000   0.0000  4839.60  4830.73  ?   ?    95.093   39.045 0.000000 39.04451 
1 1 1   65   27    3 o   57.616   27.015 -1687.2400  3188.11   0.0000   0.0000 -1687.2400  3188.11  ?   ?    57.616   27.015 0.000000 27.01538 
1 1 1   65   27    4 o   65.063   29.133  224.409  3170.23   0.0000   0.0000  224.409  3170.23  ?   ?    65.063   29.133 0.000000 29.13297 
1 1 1   65   27    5 o  101.199   37.200  6133.25  4014.17   0.0000   0.0000  6133.25  4014.17  ?   ?   101.199   37.200 0.000000 37.19992 
1 1 1   65   27    8 o   96.793   35.930  6126.66  3761.37   0.0000   0.0000  6126.66  3761.37  ?   ?    96.793   35.930 0.000000 35.93044 
1 1 1   65   27    9 o   79.250   32.484  3648.10  3336.59   0.0000   0.0000  3648.10  3336.59  ?   ?    79.250   32.484 0.000000 32.48401 
1 1 1   65   29    0 o   76.936   35.799  1115.63  5425.24   0.0000   0.0000  1115.63  5425.24  ?   ?    76.936   35.799 0.000000 35.79893 
1 1 1   65   29    1 o  122.872   47.903 13607.19  6893.67   0.0000   0.0000 13607.19  6893.67  ?   ?   122.872   47.903 0.000000 47.90326 
1 1 1   65   29    2 o  145.306   50.423 18848.80  7268.92   0.0000   0.0000 18848.80  7268.92  ?   ?   145.306   50.423 0.000000 50.42339 
1 1 1   65   29    3 o   79.778   36.212  2527.98  5093.04   0.0000   0.0000  2527.98  5093.04  ?   ?    79.778   36.212 0.000000 36.21235 
1 1 1   65   29    4 o   57.532   27.834 -2978.5171  3977.02   0.0000   0.0000 -2978.5171  3977.02  ?   ?    57.532   27.834 0.000000 27.83353 
1 1 1   65   29    5 o   67.623   31.331  444.234  4087.83   0.0000   0.0000  444.234  4087.83  ?   ?    67.623   31.331 0.000000 31.33094 
1 1 1   65   29    6 o   57.082   27.608 -2502.9399  3906.01   0.0000   0.0000 -2502.9399  3906.01  ?   ?    57.082   27.608 0.000000 27.60811 
1 1 1   65   29    7 o   63.399   29.355  488.101  3579.74   0.0000   0.0000  488.101  3579.74  ?   ?    63.399   29.355 0.000000 29.35457 
1 1 1   65   31    0 o   84.942   39.286  6374.60  6385.60   0.0000   0.0000  6374.60  6385.60  ?   ?    84.942   39.286 0.000000 39.28590 
1 1 1   65   31    1 o   86.249   40.286  7153.60  6975.69   0.0000   0.0000  7153.60  6975.69  ?   ?    86.249   40.286 0.000000 40.28600 
1 1 1   65   31    2 o   61.784   30.506 -3439.6631  5553.03   0.0000   0.0000 -3439.6631  5553.03  ?   ?    61.784   30.506 0.000000 30.50566 
1 1 1   65   31    3 o   69.272   33.445  565.276  5669.19   0.0000   0.0000  565.276  5669.19  ?   ?    69.272   33.445 0.000000 33.44505 
1 1 1   65   31    4 o   66.059   30.848  1194.37  4086.43   0.0000   0.0000  1194.37  4086.43  ?   ?    66.059   30.848 0.000000 30.84829 
1 1 1   65   31    5 o   51.274   25.475 -4627.7261  4102.59   0.0000   0.0000 -4627.7261  4102.59  ?   ?    51.274   25.475 0.000000 25.47475 
1 1 1   66    0    0 o  135.542   22.261  8098.08  2251.31   0.0000   0.0000  8098.08  2251.31  135.542   22.261  135.542   22.261 0.000000 0.000000 
1 1 1   66    0    1 o   57.865   24.135  1930.48  1133.66   0.0000   0.0000  1930.48  1133.66   57.865   24.135   57.865   24.135 0.000000 0.000000 
1 1 1   66    0    2 o  809.328   61.594 291554.69 39937.19   0.0000   0.0000 291554.69 39937.19  809.328   61.594  809.328   61.594 0.000000 0.000000 
1 1 1   66    0    3 o  226.016   21.290 21493.22  3827.36   0.0000   0.0000 21493.22  3827.36  226.016   21.290  226.016   21.290 0.000000 0.000000 
1 1 1   66    0    4 o  136.096   17.746  7949.40  1868.85   0.0000   0.0000  7949.40  1868.85  136.096   17.746  136.096   17.746 0.000000 0.000000 
1 1 1   66    0    5 o  348.306   20.473 50349.64  5744.30 54300.43  9254.72 47873.73  7326.38  356.121   32.636  336.686   27.208 0.000000 0.000000 
1 1 1   66    0    6 o  331.983   19.093 45741.62  5107.67 54009.19  8366.18 40829.00  6449.03  356.081   29.397  310.446   26.004 0.000000 0.000000 
1 1 1   66    0    7 o  154.179   14.791 10000.06  1812.54  7822.53  3712.78 10681.42  2076.84  117.827   42.391  158.823   16.513 0.000000 0.000000 
1 1 1   66    0    8 o   62.048   18.850  1961.70  829.021  2739.59  2390.08  1855.31  883.896   65.869   34.298   58.712   20.495 0.000000 0.000000 
1 1 1   66    0    9 o  142.935   38.816 10497.74  3894.09 10497.74  3894.09   0.0000   0.0000  142.935   38.816  142.935   38.816 0.000000 0.000000 
1 1 1   66    0   10 o  153.991   14.881 10039.43  1820.70 11175.10  3929.87  9729.03  2054.50  148.392   37.723  150.367   17.439 0.000000 0.000000 
1 1 1   66    0   11 o  138.378   15.021  8181.77  1637.32 11990.61  3792.38  7309.15  1815.21  156.610   34.027  128.833   18.449 0.000000 0.000000 
1 1 1   66    0   12 o   25.834   16.841 -50.5669  858.975 -876.2802  2754.81   38.359  904.047   41.490   28.020   27.338   17.618 0.000000 0.000000 
1 1 1   66    0   13 o   24.083   16.153 -298.6332  886.264 -5406.9951  2965.33  202.435  928.713   30.596   22.170   29.241   18.441 0.000000 0.000000 
1 1 1   66    0   14 f   56.702   24.557  1978.35  1166.42  6677.36  3193.26  1254.85  1253.00  102.219   40.139   44.536   24.328 0.000000 0.000000 
1 1 1   66    0   15 o   36.784   21.579  752.469  1085.34  2525.00  3356.36  545.476  1146.96   60.773   36.814   34.876   21.313 0.000000 0.000000 
1 1 1   66    0   16 o   33.924   21.571  338.209  1300.05 -3308.0090  4230.38  718.473  1366.16   41.908   29.711   37.966   23.230 0.000000 0.000000 
1 1 1   66    0   17 o   23.229   16.366 -1185.7970  1218.67 -11195.9404  5409.67 -650.6301  1250.82   35.785   26.343   26.197   18.010 0.000000 0.000000 
1 1 1   66    0   18 o  101.183   28.360  5896.39  2016.54  6548.86  6260.41  5820.86  2130.07   65.868   43.783   97.464   30.647 0.000000 0.000000 
1 1 1   66    2    0 o  395.888   21.846 64845.41  6995.29 54280.93  9807.41 75786.20  9980.54  357.178   34.236  425.086   29.091 -67.90714 44.92654 
1 1 1   66    2    1 o  662.131   34.074 185392.00 18256.80 177964.70 25725.48 192928.30 25913.56  633.972   50.391  662.167   48.535 -28.19568 69.96374 
1 1 1   66    2    2 o  375.725   20.533 58303.92  6240.46 56808.50  8697.30 59890.76  8959.20  367.612   29.383  377.477   29.464 -9.864502 41.61152 
1 1 1   66    2    3 o   60.877   14.103  1575.51  683.467  770.088  867.263  2895.56  1110.28   47.747   17.330   82.531   17.129 -34.78322 24.36698 
1 1 1   66    2    4 o  111.989   11.689  5172.58  1047.19  5096.38  1386.96  5273.62  1597.06  110.411   15.932  111.891   18.205 -1.479736 24.19151 
1 1 1   66    2    5 o  196.415   10.705 15783.00  1700.74 14662.75  2332.29 17055.19  2485.42  188.512   15.371  203.447   15.154 -14.93401 21.58520 
1 1 1   66    2    6 o  275.165   13.111 30992.44  2929.39 31169.39  3719.81 30703.51  4753.19  274.751   16.754  271.129   21.775 3.622589 27.47427 
1 1 1   66    2    7 o  214.844   11.291 18925.19  1962.82 18441.10  2726.99 19445.59  2827.42  211.018   16.036  216.680   16.188 -5.662247 22.78548 
1 1 1   66    2    8 o  278.016   14.998 31934.12  3373.22 32522.02  3905.16 30206.35  6694.72  279.784   17.275  262.450   32.084 17.33392 36.43866 
1 1 1   66    2    9 o  318.767   13.825 41850.26  3578.43 40727.86  5040.27 42991.00  5081.29  311.444   20.038  320.219   19.638 -8.774567 28.05616 
1 1 1   66    2   10 o  438.742   22.838 81804.98  8107.92 70743.09 15014.28 86358.73  9633.29  377.692   50.202  447.249   26.648 -69.55640 56.83634 
1 1 1   66    2   11 o   39.263   14.413  515.240  602.296 -394.3356  892.709  1275.21  816.000   34.292   15.400   55.102   16.752 -20.80996 22.75469 
1 1 1   66    2   12 o  124.468   11.345  6427.18  1133.96  6808.86  1608.47  6050.03  1598.90  126.860   15.969  119.148   17.010 7.711365 23.33135 
1 1 1   66    2   13 o  153.687   11.337  9790.48  1404.79  8327.36  1991.70 11238.92  1981.68  139.461   18.009  163.476   15.100 -24.01535 23.50204 
1 1 1   66    2   14 o   64.701   16.647  1831.57  879.641  3154.30  1260.16  574.580  1228.45   84.524   18.842   49.591   19.935 34.93210 27.43068 
1 1 1   66    2   15 o  115.651   12.430  5628.96  1148.88  4739.16  1627.35  6513.12  1622.18  103.107   20.161  122.868   16.692 -19.76098 26.17406 
1 1 1   66    2   16 o  261.759   13.886 28980.95  2940.77 29036.73  4177.12 28926.14  4140.86  256.353   20.232  256.016   20.081 0.3377991 28.50590 
1 1 1   66    2   17 o   78.178   17.530  2765.46  1085.30  1618.22  1538.81  3900.97  1530.93   62.580   23.028   91.454   21.052 -28.87350 31.20083 
1 1 1   66    2   18 o   53.635   18.411  1246.77  967.812  1587.03  1279.89  792.411  1478.98   59.857   21.132   52.750   21.625 7.107140 30.23576 
1 1 1   66    4    0 o  121.017   13.905  6062.96  1341.54  6423.12  1722.81  5508.17  2138.22  123.915   17.619  113.292   23.991 10.62352 29.76577 
1 1 1   66    4    1 o   83.497   13.525  2919.95  885.573  2547.22  1066.42  3748.00  1589.49   77.299   17.409   93.522   21.396 -16.22265 27.58368 
1 1 1   66    4    2 o  246.614   15.422 24993.84  3072.57 26005.72  4116.44 23720.86  4617.06  250.456   20.420  238.108   24.218 12.34802 31.67773 
1 1 1   66    4    3 o  254.040   15.182 26514.87  3117.21 25770.09  4156.78 27471.92  4712.06  249.159   20.735  256.719   22.844 -7.559891 30.85117 
1 1 1   66    4    4 o  245.439   14.334 24736.48  2844.25 21927.84  3798.56 28320.66  4291.07  229.617   20.593  261.231   20.392 -31.61305 28.98092 
1 1 1   66    4    5 o  233.954   11.808 22412.82  2235.78 22723.19  3044.48 22049.50  3293.98  234.727   16.071  230.818   17.711 3.908768 23.91522 
1 1 1   66    4    6 o  436.785   19.568 78954.91  6939.75 80679.90  8234.48 74726.37 12892.53  439.299   23.167  412.044   38.999 27.25476 45.36132 
1 1 1   66    4    7 o  249.600   13.648 25645.72  2755.45 25339.86  3481.75 26158.37  4507.51  247.021   17.472  249.191   22.521 -2.169266 28.50350 
1 1 1   66    4    8 o  296.251   13.245 36061.32  3185.96 36114.16  4461.15 36006.32  4551.45  294.149   18.776  293.524   19.203 0.6250305 26.85716 
1 1 1   66    4    9 o  160.356   10.325 10568.89  1337.26  9073.90  1835.34 12260.71  1952.42  147.335   15.578  171.897   14.113 -24.56152 21.02012 
1 1 1   66    4   10 o  114.472   10.159  5409.00  934.421  4470.22  1278.16  6486.78  1369.51  102.695   15.838  124.656   13.760 -21.96140 20.98011 
1 1 1   66    4   11 o   44.141   17.229  516.390  892.482 -488.7215  3094.48  607.582  932.090   66.071   29.230   45.969   17.700 20.10203 34.17109 
1 1 1   66    4   12 o  147.202   10.939  8960.40  1298.15  8543.50  1831.40  9381.39  1840.35  142.198   16.148  149.339   15.398 -7.141617 22.31277 
1 1 1   66    4   13 o  107.323   11.670  4809.25  1000.59  3891.94  1404.12  5755.70  1426.25   94.279   18.999  116.402   15.474 -22.12344 24.50276 
1 1 1   66    4   14 o  248.795   12.672 25779.08  2551.53 24903.12  3614.20 26649.45  3602.64  241.056   18.609  249.910   17.872 -8.854568 25.80150 
1 1 1   66    4   15 o  196.321   12.153 16101.79  1927.71 15367.73  2687.45 16879.76  2766.67  188.812   17.738  198.179   17.369 -9.367050 24.82523 
1 1 1   66    4   16 o  119.346   12.693  6038.18  1211.09  6202.72  1597.67  5815.90  1856.92  119.061   17.010  113.193   20.976 5.868271 27.00634 
1 1 1   66    4   17 o   60.680   16.846  1658.26  859.443  806.911  1128.10  2835.94  1326.81   49.727   19.381   77.886   20.646 -28.15977 28.31731 
1 1 1   66    4   18 o   33.165   14.707 -162.1666  788.006 -272.8297  956.087   72.242  1391.50   35.587   15.962   45.473   19.876 -9.885811 25.49187 
1 1 1   66    6    0 o  203.960   23.874 17461.66  3878.96   0.0000   0.0000 17461.66  3878.96  ?   ?   203.960   23.874 0.000000 23.87407 
1 1 1   66    6    1 o  190.135   11.159 14794.36  1715.19 12055.97  2042.76 21338.73  3157.93  170.999   14.860  227.388   17.232 -56.38843 22.75449 
1 1 1   66    6    2 o  272.281   25.066 31051.23  5479.39   0.0000   0.0000 31051.23  5479.39  ?   ?   272.281   25.066 0.000000 25.06579 
1 1 1   66    6    3 o  183.401   16.360 13905.73  2410.70 13905.73  2410.70   0.0000   0.0000  183.401   16.360  ?   ?  0.000000 16.36015 
1 1 1   66    6    4 o   39.419   12.795  613.991  468.430  613.991  468.430   0.0000   0.0000   39.419   12.795  ?   ?  0.000000 12.79493 
1 1 1   66    6    5 o   40.469   12.266  673.204  437.968  568.056  487.935  1109.15  993.525   38.653   13.074   54.223   18.652 -15.56987 22.77772 
1 1 1   66    6    6 o  134.291   10.412  7409.00  1126.43  8982.85  1473.97  5199.33  1746.50  147.611   12.413  110.291   20.249 37.31937 23.75061 
1 1 1   66    6    7 o  112.257   10.079  5189.98  908.873  5618.74  1171.68  4542.23  1440.14  116.392   12.599  103.349   17.804 13.04285 21.81120 
1 1 1   66    6    8 o  373.687   16.215 57786.98  4919.88 57377.59  6174.35 58498.96  8142.65  369.670   20.653  368.720   27.393 0.9493713 34.30639 
1 1 1   66    6    9 o  263.510   12.259 28538.85  2622.85 27834.20  3657.76 29284.64  3763.03  258.035   17.563  264.681   17.610 -6.645966 24.87086 
1 1 1   66    6   10 o  111.937   9.9271  5172.08  892.905  4474.67  1188.92  6074.36  1352.32  103.016   14.624  120.452   14.093 -17.43620 20.30991 
1 1 1   66    6   11 o  109.734   11.012  4997.13  967.947  5307.73  1309.68  4623.25  1436.92  112.203   14.732  103.746   17.692 8.456917 23.02254 
1 1 1   66    6   12 f   54.428   18.488  1174.27  975.706 -1197.4041  3330.49  1396.93  1020.48   64.747   29.348   58.150   18.886 6.596821 34.89948 
1 1 1   66    6   13 o  190.405   11.380 15019.68  1751.35 13000.38  2431.60 17196.37  2524.58  174.757   17.366  202.102   15.503 -27.34465 23.27922 
1 1 1   66    6   14 o   97.996   11.817  4035.08  921.322  3983.41  1187.50  4113.22  1460.29   96.140   15.758   96.461   19.318 -0.3204193 24.93011 
1 1 1   66    6   15 o  153.467   11.499  9841.25  1422.47  8184.13  1901.49 11947.10  2143.54  137.338   17.445  167.060   15.998 -29.72224 23.66997 
1 1 1   66    6   16 o  118.199   11.738  5896.92  1111.61  4406.48  1434.40  8137.93  1758.87   99.204   18.488  136.905   16.132 -37.70119 24.53653 
1 1 1   66    6   17 o   22.535   10.875 -889.5460  597.494 -874.7268  685.284 -936.5242  1220.13   25.003   11.955   36.163   16.877 -11.15917 20.68232 
1 1 1   66    6   18 o   88.430   14.826  3490.29  1026.89  3175.18  1235.32  4195.00  1847.39   82.060   18.926   90.746   24.500 -8.685249 30.95873 
1 1 1   66    8    0 f  571.021   45.483 144017.80 20913.39   0.0000   0.0000 144017.80 20913.39  ?   ?   571.021   45.483 0.000000 45.48312 
1 1 1   66    8    1 o  365.862   31.000 56803.43  9122.59   0.0000   0.0000 56803.43  9122.59  ?   ?   365.862   31.000 0.000000 31.00022 
1 1 1   66    8    2 o  264.037   25.135 29287.15  5323.74   0.0000   0.0000 29287.15  5323.74  ?   ?   264.037   25.135 0.000000 25.13550 
1 1 1   66    8    3 o  310.665   27.481 40768.22  6860.59   0.0000   0.0000 40768.22  6860.59  ?   ?   310.665   27.481 0.000000 27.48115 
1 1 1   66    8    4 o  181.636   21.756 13880.72  3144.82   0.0000   0.0000 13880.72  3144.82  ?   ?   181.636   21.756 0.000000 21.75630 
1 1 1   66    8    5 o   20.180   8.4581   23.905  233.266 -26.0777  239.145  1003.14  1058.51   19.390   8.3585   53.368   19.177 -33.97805 20.91961 
1 1 1   66    8    6 o  206.371   10.783 17462.27  1800.57 16764.61  2381.18 18393.88  2751.59  201.350   14.665  210.540   16.221 -9.190063 21.86744 
1 1 1   66    8    7 o   75.054   9.8749  2341.59  587.179  2112.57  682.421  2994.61  1152.32   70.763   12.325   83.480   17.557 -12.71673 21.45101 
1 1 1   66    8    8 o  195.345   10.726 15679.79  1694.79 16200.51  2276.22 15031.99  2538.81  197.675   14.278  189.660   16.655 8.014893 21.93696 
1 1 1   66    8    9 o  298.194   13.667 36693.55  3309.10 36296.35  4144.50 37392.04  5496.04  294.628   17.402  295.865   23.060 -1.237091 28.88922 
1 1 1   66    8   10 o  145.189   10.863  8703.47  1271.34  8864.74  1695.97  8496.60  1920.84  145.590   14.541  141.742   17.031 3.848358 22.39403 
1 1 1   66    8   11 o  166.839   10.288 11472.95  1386.89 10719.93  1872.13 12388.83  2064.69  160.040   14.566  172.008   14.931 -11.96806 20.85949 
1 1 1   66    8   12 o   20.310   9.7609 -688.0331  469.888 -305.2843  571.348 -1487.9800  825.988   26.930   12.186   25.298   12.340 1.632696 17.34263 
1 1 1   66    8   13 o  168.193   10.734 11714.82  1458.27 10269.46  1965.66 13484.04  2174.77  155.646   15.771  178.830   15.119 -23.18431 21.84765 
1 1 1   66    8   14 o  209.844   11.225 18292.22  1905.72 16398.58  2611.62 20448.94  2787.13  196.048   16.561  219.555   15.739 -23.50696 22.84686 
1 1 1   66    8   15 o  149.889   11.470  9404.32  1385.38  8480.33  1839.98 10613.78  2105.12  140.065   16.495  156.698   16.808 -16.63309 23.54969 
1 1 1   66    8   16 o   20.145   9.9291 -1215.3740  579.560 -885.8586  672.148 -2170.3960  1144.28   24.658   11.804   28.826   14.157 -4.167194 18.43229 
1 1 1   66    8   17 o  136.411   11.796  7919.95  1293.63  5901.93  1655.76 11081.94  2072.59  113.816   18.556  158.353   16.355 -44.53692 24.73481 
1 1 1   66   10    0 o  129.436   26.966  7267.79  2742.10   0.0000   0.0000  7267.79  2742.10  ?   ?   129.436   26.966 0.000000 26.96627 
1 1 1   66   10    1 o  120.817   25.469  6317.97  2419.71   0.0000   0.0000  6317.97  2419.71  ?   ?   120.817   25.469 0.000000 25.46859 
1 1 1   66   10    2 o  360.257   30.986 55470.41  8975.82   0.0000   0.0000 55470.41  8975.82  ?   ?   360.257   30.986 0.000000 30.98630 
1 1 1   66   10    3 o  106.116   23.991  4884.65  2018.63   0.0000   0.0000  4884.65  2018.63  ?   ?   106.116   23.991 0.000000 23.99130 
1 1 1   66   10    4 o   35.356   16.304 -837.1395  1087.92   0.0000   0.0000 -837.1395  1087.92  ?   ?    35.356   16.304 0.000000 16.30429 
1 1 1   66   10    5 o  155.752   18.866 10207.82  2337.24  9018.39  4700.23 10598.54  2693.91  139.932   39.591  157.922   21.573 -17.99007 45.08698 
1 1 1   66   10    6 o   54.496   20.065  1003.23  1168.52  868.333  2995.18  1027.45  1269.08   73.493   30.514   55.982   20.853 17.51164 36.95876 
1 1 1   66   10    7 o  159.671   8.7766 10444.68  1133.51  9148.70  1399.48 12916.24  1932.65  148.870   11.671  176.579   13.584 -27.70866 17.90910 
1 1 1   66   10    8 o   46.025   10.681  902.954  391.440  723.533  428.397  1810.31  963.385   41.520   12.019   64.847   17.770 -23.32735 21.45260 
1 1 1   66   10    9 o  135.152   9.8462  7523.15  1073.08  7626.02  1359.56  7353.17  1747.63  135.495   12.499  131.869   16.696 3.625549 20.85580 
1 1 1   66   10   10 o  179.429   11.036 13287.11  1600.07 11473.17  1936.68 17188.09  2840.11  165.667   14.545  201.824   17.504 -36.15663 22.75849 
1 1 1   66   10   11 o  258.444   12.203 27592.34  2560.72 26797.78  3530.90 28473.92  3719.24  251.950   17.366  259.518   17.757 -7.568649 24.83696 
1 1 1   66   10   12 o   45.394   13.461  870.055  531.747  578.201  604.081  1874.49  1120.66   40.269   14.485   65.702   19.555 -25.43253 24.33586 
1 1 1   66   10   13 o   83.076   19.892  3078.90  1324.05 -910.6573  4784.69  3409.75  1377.86   76.916   34.985   87.491   19.851 -10.57560 40.22419 
1 1 1   66   10   14 o  166.607   11.158 11565.91  1500.79 10943.69  1971.31 12423.75  2314.66  160.234   15.339  169.915   17.005 -9.681122 22.90137 
1 1 1   66   10   15 o  186.225   11.926 14560.20  1793.91 14886.58  2405.29 14151.08  2692.95  185.836   16.099  179.321   18.773 6.515289 24.73128 
1 1 1   66   10   16 o   44.936   14.957  838.480  638.638  1151.73  730.463 -177.7638  1315.69   51.365   15.892   43.046   19.051 8.319019 24.80916 
1 1 1   66   10   17 o   81.922   13.174  2939.21  846.623  2958.40  992.397  2887.88  1622.71   81.055   15.645   76.398   23.695 4.657433 28.39429 
1 1 1   66   12    0 o   63.530   26.449  488.041  2258.95   0.0000   0.0000  488.041  2258.95  ?   ?    63.530   26.449 0.000000 26.44877 
1 1 1   66   12    1 o  145.987   26.074  9221.21  2977.31   0.0000   0.0000  9221.21  2977.31  ?   ?   145.987   26.074 0.000000 26.07398 
1 1 1   66   12    2 o  254.835   26.132 27674.41  5330.75   0.0000   0.0000 27674.41  5330.75  ?   ?   254.835   26.132 0.000000 26.13232 
1 1 1   66   12    3 o  271.538   26.620 31531.21  5793.64   0.0000   0.0000 31531.21  5793.64  ?   ?   271.538   26.620 0.000000 26.61978 
1 1 1   66   12    4 o  179.898   23.491 13837.84  3349.39   0.0000   0.0000 13837.84  3349.39  ?   ?   179.898   23.491 0.000000 23.49068 
1 1 1   66   12    5 o  117.483   21.313  5955.80  1958.25  3558.63  4099.36  6664.55  2229.02   98.578   37.318  123.909   23.002 -25.33104 43.83786 
1 1 1   66   12    6 o  452.658   27.863 88756.86 10191.20 85970.81 15627.27 90818.54 13443.15  423.300   46.218  446.961   37.385 -23.66132 59.44546 
1 1 1   66   12    7 o  200.205   18.606 16903.25  2989.95 22148.44  5686.07 14898.65  3515.16  221.671   32.562  185.632   23.875 36.03899 40.37643 
1 1 1   66   12    8 o  231.835   17.313 22566.58  3235.54 23416.55  7068.43 22341.27  3639.19  220.844   40.926  229.555   19.716 -8.711700 45.42703 
1 1 1   66   12    9 o  267.537   12.498 29539.61  2714.94 28476.18  3687.43 30798.56  4012.11  260.091   17.563  270.066   18.406 -9.974976 25.44131 
1 1 1   66   12   10 o   90.725   8.7170  3401.38  634.238  3429.01  717.251  3302.31  1358.14   90.871   9.8802   86.640   19.745 4.230408 22.07936 
1 1 1   66   12   11 o  139.603   9.0012  8027.33  1014.88  6860.26  1236.07 10441.56  1777.81  128.270   12.008  157.801   14.021 -29.53133 18.46025 
1 1 1   66   12   12 o  125.544   9.4662  6517.90  957.869  5904.26  1140.67  7985.60  1764.09  118.788   11.990  136.809   16.195 -18.02188 20.15054 
1 1 1   66   12   13 o  105.679   9.0126  4627.76  765.962  3463.40  899.940  7688.45  1459.08   90.366   12.609  134.957   13.496 -44.59064 18.46944 
1 1 1   66   12   14 o  114.432   9.8082  5454.62  902.513  5153.43  1094.18  6095.68  1596.29  110.361   12.427  118.141   17.141 -7.780289 21.17180 
1 1 1   66   12   15 o   93.629   10.384  3692.01  776.133  3811.47  888.380  3306.86  1595.16   94.662   11.815   83.644   22.843 11.01820 25.71771 
1 1 1   66   12   16 o   67.637   12.498  1996.58  661.099  2232.09  736.560  1020.66  1499.38   71.348   13.200   55.454   22.117 15.89392 25.75650 
1 1 1   66   14    0 o  175.545   28.519 13493.06  3925.46   0.0000   0.0000 13493.06  3925.46  ?   ?   175.545   28.519 0.000000 28.51878 
1 1 1   66   14    1 o  277.298   28.834 33344.36  6397.24   0.0000   0.0000 33344.36  6397.24  ?   ?   277.298   28.834 0.000000 28.83407 
1 1 1   66   14    2 f   91.678   27.382  3664.22  2194.38   0.0000   0.0000  3664.22  2194.38  ?   ?    91.678   27.382 0.000000 27.38181 
1 1 1   66   14    3 o  208.059   25.245 18669.40  4177.50   0.0000   0.0000 18669.40  4177.50  ?   ?   208.059   25.245 0.000000 25.24518 
1 1 1   66   14    4 o  111.362   26.095  5512.68  2318.37   0.0000   0.0000  5512.68  2318.37  ?   ?   111.362   26.095 0.000000 26.09525 
1 1 1   66   14    5 o  266.172   21.408 30092.49  4587.58 31054.51  7915.13 29605.83  5629.59  258.082   38.987  260.678   26.988 -2.596344 47.41637 
1 1 1   66   14    6 o  218.367   20.379 20265.90  3571.51 27068.26  6831.14 17707.01  4189.77  242.386   35.786  201.053   26.295 41.33307 44.40767 
1 1 1   66   14    7 o  202.336   19.408 17390.17  3149.49 26867.32  6141.14 14007.93  3668.70  243.722   31.789  178.234   26.126 65.48761 41.14768 
1 1 1   66   14    8 o  214.168   20.307 19606.67  3489.18 20276.01  6771.48 19364.71  4071.27  202.009   42.623  210.639   24.247 -8.630539 49.03720 
1 1 1   66   14    9 o   59.968   18.666  1521.05  1005.99 -4756.9600  4234.90  1896.49  1035.63   61.724   29.568   66.041   18.549 -4.317303 34.90444 
1 1 1   66   14   10 o   29.041   13.755 -991.8032  864.790 -7843.9902  4200.04 -688.4431  883.726   54.048   26.657   31.589   14.612 22.45887 30.39857 
1 1 1   66   14   11 o   67.466   22.264  1934.60  1416.14  5963.25  5035.56  1588.61  1475.70  110.917   41.494   63.577   22.665 47.34059 47.28042 
1 1 1   66   14   12 o   55.359   20.646  1088.14  1244.79  522.553  5331.24  1120.75  1280.17   84.815   37.892   56.105   20.935 28.70966 43.29089 
1 1 1   66   14   13 o   75.768   8.9912  2398.02  542.351  2506.86  583.248  1702.58  1474.33   77.373   9.4823   64.194   22.679 13.17892 24.58114 
1 1 1   66   14   14 o   66.728   9.7289  1882.36  511.610  1706.67  551.031  2980.10  1377.39   63.089   11.165   80.307   20.916 -17.21812 23.70947 
1 1 1   66   14   15 o  108.219   9.6823  4913.26  841.798  4484.71  954.766  6409.58  1784.04  102.607   11.667  118.722   19.159 -16.11471 22.43228 
1 1 1   66   14   16 f   86.298   10.206  3169.00  701.297  3216.73  767.992  2929.42  1720.52   86.565   11.188   76.435   24.492 10.12997 26.92648 
1 1 1   66   16    0 o  201.646   29.929 18094.95  4751.55   0.0000   0.0000 18094.95  4751.55  ?   ?   201.646   29.929 0.000000 29.92890 
1 1 1   66   16    1 o  151.288   27.407 10157.69  3242.73   0.0000   0.0000 10157.69  3242.73  ?   ?   151.288   27.407 0.000000 27.40689 
1 1 1   66   16    2 o   91.261   28.654  3649.41  2364.82   0.0000   0.0000  3649.41  2364.82  ?   ?    91.261   28.654 0.000000 28.65388 
1 1 1   66   16    3 o  460.675   41.251 100355.40 15266.86   0.0000   0.0000 100355.40 15266.86  ?   ?   460.675   41.251 0.000000 41.25149 
1 1 1   66   16    4 o  125.314   27.264  7061.78  2695.28   0.0000   0.0000  7061.78  2695.28  ?   ?   125.314   27.264 0.000000 27.26420 
1 1 1   66   16    5 o  175.212   20.870 13174.80  2910.65 18006.56  5508.71 11303.43  3428.28  196.017   35.936  159.016   27.550 37.00108 45.28110 
1 1 1   66   16    6 o   82.653   25.055  3007.18  1827.31 -5789.3169  4590.63  4663.37  1991.92   62.728   30.238  102.047   24.375 -39.31856 38.83870 
1 1 1   66   16    7 o  121.863   23.683  6600.40  2258.96  5033.85  5271.03  6952.85  2500.20  108.866   42.042  124.326   25.619 -15.46107 49.23276 
1 1 1   66   16    8 f   45.046   19.190   85.937  1233.37  2448.50  4539.19 -102.3938  1281.58   91.265   37.701   44.234   19.208 47.03062 42.31244 
1 1 1   66   16    9 o  171.442   17.255 12519.80  2369.30  2307.98  6794.89 13933.24  2527.96  100.724   43.976  180.857   17.430 -80.13276 47.30403 
1 1 1   66   16   10 o   62.682   21.313  1619.65  1296.68  8228.00  5425.66  1219.34  1335.38  124.435   43.542   58.002   21.433 66.43216 48.53108 
1 1 1   66   16   11 o   29.094   14.267 -2180.3569  1147.96  647.892  5228.41 -2323.6040  1176.67   84.580   37.675   29.094   14.302 55.48655 40.29858 
1 1 1   66   16   12 o   74.828   23.383  2538.69  1576.92  2308.02  6407.11  2553.57  1626.97   94.133   41.832   75.078   23.792 19.05504 48.12402 
1 1 1   66   16   13 o  106.894   21.059  5226.58  1762.77 12198.47  7343.30  4800.26  1815.86  131.207   49.881  101.511   22.610 29.69606 54.76630 
1 1 1   66   16   14 o   64.768   22.878  1843.49  1500.26 -6086.2622  7580.62  2166.74  1530.53   74.414   36.525   68.733   23.156 5.681633 43.24693 
1 1 1   66   16   15 o  104.633   21.690  5244.70  1782.23  4203.99  9015.83  5287.02  1818.11   91.721   43.719  104.788   22.066 -13.06709 48.97202 
1 1 1   66   18    0 o  163.481   32.975 12437.89  4226.13   0.0000   0.0000 12437.89  4226.13  ?   ?   163.481   32.975 0.000000 32.97509 
1 1 1   66   18    1 o  177.264   28.788 14153.47  4001.40   0.0000   0.0000 14153.47  4001.40  ?   ?   177.264   28.788 0.000000 28.78818 
1 1 1   66   18    2 o  130.669   30.480  7890.00  3174.58   0.0000   0.0000  7890.00  3174.58  ?   ?   130.669   30.480 0.000000 30.47983 
1 1 1   66   18    3 o  118.813   29.483  6508.52  2830.80   0.0000   0.0000  6508.52  2830.80  ?   ?   118.813   29.483 0.000000 29.48307 
1 1 1   66   18    4 o  175.332   27.684 13815.17  3810.34   0.0000   0.0000 13815.17  3810.34  ?   ?   175.332   27.684 0.000000 27.68372 
1 1 1   66   18    5 o  162.423   27.568 11916.56  3505.74   0.0000   0.0000 11916.56  3505.74  ?   ?   162.423   27.568 0.000000 27.56806 
1 1 1   66   18    6 o  204.996   23.124 18388.38  3781.81 19746.52  7574.10 17937.34  4364.84  190.483   48.763  199.436   27.702 -8.953766 56.08261 
1 1 1   66   18    7 o  245.169   22.918 26290.64  4509.32 32145.42  8712.57 24148.46  5270.09  248.757   44.782  230.255   28.820 18.50191 53.25417 
1 1 1   66   18    8 o  338.671   25.933 51271.26  7077.20 52775.90 12434.17 50550.24  8607.46  306.082   51.884  327.548   32.805 -21.46594 61.38525 
1 1 1   66   18    9 o  212.068   23.264 19974.62  3940.17 19381.98  8512.97 20136.20  4444.94  175.262   54.258  210.236   26.636 -34.97371 60.44342 
1 1 1   66   18   10 o   47.825   18.939  614.220  1092.29  5271.73  6246.23  467.299  1109.38  106.676   44.160   46.421   18.844 60.25569 48.01240 
1 1 1   66   18   11 o   25.436   12.581 -2103.5449  959.513 -1320.7950  5066.34 -2132.6660  977.198   75.332   34.895   25.698   12.709 49.63358 37.13678 
1 1 1   66   18   12 o  115.901   21.613  6163.09  1959.15 17085.18  8045.09  5474.54  2019.96  151.032   53.011  107.856   23.711 43.17601 58.07243 
1 1 1   66   18   13 o   83.141   23.614  3331.69  1668.75 -1500.2020  8265.47  3537.01  1703.84   84.626   40.738   85.578   23.706 -0.9519424 47.13318 
1 1 1   66   18   14 o   63.795   23.625  1787.30  1624.28 12824.89  8952.04  1411.56  1651.69  112.800   49.819   60.130   23.446 52.67083 55.06041 
1 1 1   66   20    0 f  190.694   32.763 17108.45  4890.09   0.0000   0.0000 17108.45  4890.09  ?   ?   190.694   32.763 0.000000 32.76277 
1 1 1   66   20    1 o  265.612   33.278 33033.50  7019.47   0.0000   0.0000 33033.50  7019.47  ?   ?   265.612   33.278 0.000000 33.27795 
1 1 1   66   20    2 o   27.536   13.947 -5387.7080  1563.51   0.0000   0.0000 -5387.7080  1563.51  ?   ?    27.536   13.947 0.000000 13.94704 
1 1 1   66   20    3 o  148.680   30.891 10373.98  3607.51   0.0000   0.0000 10373.98  3607.51  ?   ?   148.680   30.891 0.000000 30.89148 
1 1 1   66   20    4 o  171.236   29.845 13593.33  3998.69   0.0000   0.0000 13593.33  3998.69  ?   ?   171.236   29.845 0.000000 29.84464 
1 1 1   66   20    5 o  189.245   27.997 16370.05  4172.22   0.0000   0.0000 16370.05  4172.22  ?   ?   189.245   27.997 0.000000 27.99719 
1 1 1   66   20    6 o  153.727   25.255 10692.67  3042.85  1943.23  7462.03 12437.72  3332.51  100.815   44.950  165.807   25.576 -64.99213 51.71702 
1 1 1   66   20    7 o   64.420   24.601  1449.99  1791.30  1077.25  6298.51  1482.79  1868.46   92.212   41.193   65.378   25.088 26.83399 48.23107 
1 1 1   66   20    8 o   72.390   26.621  2112.57  2056.02 -4098.3970  6630.12  2773.39  2162.63   78.963   37.598   79.333   27.505 -0.3697281 46.58441 
1 1 1   66   20    9 o   96.830   28.502  4517.46  2391.42  9229.73  7454.01  3976.78  2524.89  122.944   49.217   91.218   29.710 31.72636 57.48947 
1 1 1   66   20   10 o   52.071   20.343  845.130  1245.20  5585.53  7498.93  710.719  1262.73  106.116   46.267   50.819   20.288 55.29688 50.51976 
1 1 1   66   20   11 o  169.307   18.713 12711.45  2529.50 16941.47  9731.92 12404.98  2619.53  138.252   55.921  166.442   19.770 -28.19008 59.31311 
1 1 1   66   20   12 o   50.397   21.425  385.370  1531.79  7985.11  8751.99  145.214  1555.80  105.477   47.713   48.819   21.181 56.65780 52.20345 
1 1 1   66   20   13 o   50.792   21.998  300.685  1672.12  608.455  9461.10  290.762  1698.86   85.996   41.907   51.022   22.135 34.97325 47.39402 
1 1 1   66   20   14 o   49.298   21.357  348.606  1576.93   0.0000   0.0000  348.606  1576.93  ?   ?    49.298   21.357 0.000000 21.35668 
1 1 1   66   22    2 o  174.991   34.207 14983.95  4686.12   0.0000   0.0000 14983.95  4686.12  ?   ?   174.991   34.207 0.000000 34.20673 
1 1 1   66   22    3 o   83.346   31.106  2887.28  2826.57   0.0000   0.0000  2887.28  2826.57  ?   ?    83.346   31.106 0.000000 31.10596 
1 1 1   66   22    4 o  168.056   32.507 13695.23  4275.39   0.0000   0.0000 13695.23  4275.39  ?   ?   168.056   32.507 0.000000 32.50716 
1 1 1   66   22    5 o  135.369   32.918  9078.75  3583.19   0.0000   0.0000  9078.75  3583.19  ?   ?   135.369   32.918 0.000000 32.91759 
1 1 1   66   22    6 o  175.657   30.050 14756.24  4131.86   0.0000   0.0000 14756.24  4131.86  ?   ?   175.657   30.050 0.000000 30.04965 
1 1 1   66   22    7 o  132.457   30.489  8618.01  3211.14 11221.86  8701.54  8207.50  3455.01  128.921   52.607  127.174   33.128 1.747482 62.16858 
1 1 1   66   22    8 o   77.205   26.965  2686.98  2080.45 -2643.5190  8128.17  3060.68  2152.14   86.702   41.378   81.159   27.459 5.542709 49.65976 
1 1 1   66   22    9 o   86.110   29.836  3602.07  2544.61 12135.17  8780.59  2819.72  2658.71  125.568   52.200   79.584   30.072 45.98374 60.24207 
1 1 1   66   22   10 o   97.672   21.620  4467.60  1669.28  9498.33  9504.33  4307.48  1695.64  111.598   50.171   95.496   22.276 16.10258 54.89433 
1 1 1   66   22   11 o  134.484   20.071  8327.91  2124.62 23751.99 10859.65  7714.04  2166.48  141.688   58.401  128.221   21.575 13.46649 62.25912 
1 1 1   66   22   12 o   28.358   13.996 -2309.7649  1165.17   0.0000   0.0000 -2309.7649  1165.17  ?   ?    28.358   13.996 0.000000 13.99628 
1 1 1   66   22   13 o   65.316   26.887  1820.28  2298.12   0.0000   0.0000  1820.28  2298.12  ?   ?    65.316   26.887 0.000000 26.88732 
1 1 1   66   24    0 o   96.134   35.871  4476.06  3758.42   0.0000   0.0000  4476.06  3758.42  ?   ?    96.134   35.871 0.000000 35.87070 
1 1 1   66   24    4 o  146.240   35.957 11241.54  4239.67   0.0000   0.0000 11241.54  4239.67  ?   ?   146.240   35.957 0.000000 35.95671 
1 1 1   66   24    5 o   74.651   30.368  1907.27  2888.29   0.0000   0.0000  1907.27  2888.29  ?   ?    74.651   30.368 0.000000 30.36750 
1 1 1   66   24    6 o  137.078   35.575 10076.45  3993.89   0.0000   0.0000 10076.45  3993.89  ?   ?   137.078   35.575 0.000000 35.57452 
1 1 1   66   24    7 o   55.402   25.007 -481.3516  2388.68 -108.3928  9184.23 -508.4105  2473.81   92.253   44.015   56.175   25.393 36.07860 50.81475 
1 1 1   66   24    8 o   41.990   19.828 -1559.3420  1771.50  3524.52  9544.04 -1740.7430  1802.83   97.589   46.063   41.632   19.760 55.95618 50.12235 
1 1 1   66   24    9 o   96.123   32.488  5095.02  3012.67 12003.13 10919.24  4525.83  3134.33  110.979   51.344   91.131   32.966 19.84797 61.01598 
1 1 1   66   24   10 o   52.954   20.618  1015.53  1275.72   0.0000   0.0000  1015.53  1275.72  ?   ?    52.954   20.618 0.000000 20.61760 
1 1 1   66   24   11 o   88.700   32.327  4700.98  3022.13   0.0000   0.0000  4700.98  3022.13  ?   ?    88.700   32.327 0.000000 32.32701 
1 1 1   66   26    0 o   93.500   35.297  4513.31  3660.75   0.0000   0.0000  4513.31  3660.75  ?   ?    93.500   35.297 0.000000 35.29691 
1 1 1   66   26    1 o  103.830   40.928  6180.85  5079.11   0.0000   0.0000  6180.85  5079.11  ?   ?   103.830   40.928 0.000000 40.92752 
1 1 1   66   26    2 o   65.052   29.682 -561.4357  3478.83   0.0000   0.0000 -561.4357  3478.83  ?   ?    65.052   29.682 0.000000 29.68217 
1 1 1   66   26    3 o   89.356   33.455  4003.99  3274.79   0.0000   0.0000  4003.99  3274.79  ?   ?    89.356   33.455 0.000000 33.45543 
1 1 1   66   26    6 o   65.362   28.913  555.646  3027.12   0.0000   0.0000  555.646  3027.12  ?   ?    65.362   28.913 0.000000 28.91344 
1 1 1   66   26    7 o  124.259   35.857  9160.39  3818.40   0.0000   0.0000  9160.39  3818.40  ?   ?   124.259   35.857 0.000000 35.85672 
1 1 1   66   26    8 o   55.860   24.963   91.199  2315.58   0.0000   0.0000   91.199  2315.58  ?   ?    55.860   24.963 0.000000 24.96331 
1 1 1   66   26    9 o   98.141   35.320  6268.00  3591.92   0.0000   0.0000  6268.00  3591.92  ?   ?    98.141   35.320 0.000000 35.32019 
1 1 1   66   26   10 o   77.247   30.220  3412.17  2750.73   0.0000   0.0000  3412.17  2750.73  ?   ?    77.247   30.220 0.000000 30.21963 
1 1 1   66   28    0 o   45.591   22.954 -9356.0098  3878.97   0.0000   0.0000 -9356.0098  3878.97  ?   ?    45.591   22.954 0.000000 22.95369 
1 1 1   66   28    1 o   94.598   40.720  5502.43  5659.28   0.0000   0.0000  5502.43  5659.28  ?   ?    94.598   40.720 0.000000 40.71975 
1 1 1   66   28    2 o   75.941   34.852  948.471  4889.89   0.0000   0.0000  948.471  4889.89  ?   ?    75.941   34.852 0.000000 34.85211 
1 1 1   66   28    3 o  108.710   42.945  8769.30  5603.45   0.0000   0.0000  8769.30  5603.45  ?   ?   108.710   42.945 0.000000 42.94457 
1 1 1   66   28    4 o   80.337   34.396  3031.75  3998.90   0.0000   0.0000  3031.75  3998.90  ?   ?    80.337   34.396 0.000000 34.39621 
1 1 1   66   28    5 o   91.071   36.845  5243.79  4225.67   0.0000   0.0000  5243.79  4225.67  ?   ?    91.071   36.845 0.000000 36.84494 
1 1 1   66   28    8 o   78.214   33.345  3760.92  3729.47   0.0000   0.0000  3760.92  3729.47  ?   ?    78.214   33.345 0.000000 33.34510 
1 1 1   66   30    0 o   63.802   31.497 -4167.6938  5910.96   0.0000   0.0000 -4167.6938  5910.96  ?   ?    63.802   31.497 0.000000 31.49671 
1 1 1   66   30    1 o   97.600   43.471  9683.17  6958.74   0.0000   0.0000  9683.17  6958.74  ?   ?    97.600   43.471 0.000000 43.47054 
1 1 1   66   30    2 o   54.262   27.094 -6937.5991  4885.11   0.0000   0.0000 -6937.5991  4885.11  ?   ?    54.262   27.094 0.000000 27.09358 
1 1 1   66   30    3 o   54.548   26.669 -3421.2271  3922.48   0.0000   0.0000 -3421.2271  3922.48  ?   ?    54.548   26.669 0.000000 26.66889 
1 1 1   66   30    4 o   84.768   36.477  5312.14  4538.71   0.0000   0.0000  5312.14  4538.71  ?   ?    84.768   36.477 0.000000 36.47742 
1 1 1   66   30    5 o   43.346   21.528 -4679.0879  2919.54   0.0000   0.0000 -4679.0879  2919.54  ?   ?    43.346   21.528 0.000000 21.52819 
1 1 1   66   30    6 o   75.109   34.013  3693.50  4461.51   0.0000   0.0000  3693.50  4461.51  ?   ?    75.109   34.013 0.000000 34.01304 
1 1 1   66   32    0 o   64.120   31.675 -548.0156  6013.55   0.0000   0.0000 -548.0156  6013.55  ?   ?    64.120   31.675 0.000000 31.67517 
1 1 1   66   32    1 o   50.189   25.529 -10777.4297  5637.24   0.0000   0.0000 -10777.4297  5637.24  ?   ?    50.189   25.529 0.000000 25.52905 
1 1 1   66   32    2 o   63.631   31.665 -1301.9570  6442.68   0.0000   0.0000 -1301.9570  6442.68  ?   ?    63.631   31.665 0.000000 31.66537 
1 1 1   67    1    0 o  198.843   15.275 16277.39  2447.32 17907.99  3423.22 14572.71  3500.12  207.499   20.590  186.215   23.685 21.28366 31.38338 
1 1 1   67    1    1 o  188.732   14.429 14650.65  2194.39 16504.54  3077.91 12734.23  3129.39  199.435   19.246  174.149   22.668 25.28607 29.73662 
1 1 1   67    1    2 o  145.830   13.030  8754.47  1526.59  8360.58  2094.70  9200.67  2229.46  141.435   18.699  148.434   18.929 -6.998962 26.60719 
1 1 1   67    1    3 o  400.518   21.621 66451.12  7005.13 70587.87  9845.71 62210.18  9968.94  409.210   29.838  382.780   32.378 26.42957 44.02996 
1 1 1   67    1    4 o  139.357   11.961  7987.29  1340.36  7856.17  1840.32  8135.43  1956.09  137.329   16.858  139.618   17.649 -2.289551 24.40668 
1 1 1   67    1    5 o  176.024   11.530 12707.68  1638.84 12926.46  2135.48 12394.22  2556.19  176.926   15.007  172.446   18.547 4.479752 23.85801 
1 1 1   67    1    6 o  334.363   14.474 45884.69  3929.70 46336.33  5529.31 45423.74  5586.00  333.605   20.512  330.115   20.949 3.489960 29.31871 
1 1 1   67    1    7 o  128.645   9.7124  6795.14  1007.04  6835.47  1401.41  6752.08  1448.07  128.330   13.659  127.417   14.240 0.9136581 19.73213 
1 1 1   67    1    8 o   64.253   11.887  1745.30  597.299  1341.38  784.344  2302.92  921.570   56.329   16.250   73.294   15.939 -16.96493 22.76256 
1 1 1   67    1    9 o   69.449   12.608  2042.09  684.792  1210.03  949.033  2945.87  989.092   55.069   18.228   83.189   15.203 -28.11987 23.73640 
1 1 1   67    1   10 o  288.084   13.303 34221.23  3111.84 34031.65  4403.90 34410.29  4397.71  284.348   19.187  286.005   19.046 -1.657196 27.03468 
1 1 1   67    1   11 o   56.018   14.710  1348.30  677.661  715.696  1027.11  1835.94  901.790   48.762   18.627   65.128   16.905 -16.36631 25.15457 
1 1 1   67    1   12 o  192.366   11.298 15287.06  1756.95 15110.99  2482.26 15463.81  2487.15  189.508   16.290  191.790   16.121 -2.282089 22.91830 
1 1 1   67    1   13 o  287.152   13.351 34233.32  3112.80 32759.83  4386.54 35727.98  4417.95  276.768   19.647  289.633   18.889 -12.86487 27.25469 
1 1 1   67    1   14 o  146.981   11.578  8995.16  1370.60  9677.32  1918.67  8284.32  1958.59  150.873   15.902  138.684   17.804 12.18947 23.87164 
1 1 1   67    1   15 o   59.836   17.537  1565.31  907.068  1586.16  1317.79  1546.54  1250.43   62.032   21.473   61.088   20.929 0.9441605 29.98486 
1 1 1   67    1   16 o   96.614   14.782  4042.74  1122.73  2740.17  1641.26  5188.39  1539.22   76.914   23.826  108.134   18.175 -31.22017 29.96698 
1 1 1   67    1   17 o  105.371   15.235  4864.85  1265.60  4553.66  1826.08  5152.49  1755.66   97.380   23.388  105.074   21.307 -7.694092 31.63888 
1 1 1   67    1   18 o  122.131   15.123  6597.16  1467.61  7348.19  2063.49  5828.36  2087.76  124.420   21.185  107.948   24.394 16.47198 32.30856 
1 1 1   67    3    0 o  363.715   20.797 54716.52  6116.32 54670.75  8513.46 54765.35  8792.86  360.306   29.355  360.178   30.349 0.1279297 42.22305 
1 1 1   67    3    1 o  345.177   19.842 49215.82  5537.66 52909.25  7666.53 45186.58  8007.46  355.497   26.756  326.874   30.523 28.62375 40.59008 
1 1 1   67    3    2 o  267.831   16.298 29513.93  3527.50 29908.81  4808.72 29053.87  5190.41  268.096   22.292  263.534   24.538 4.561859 33.15249 
1 1 1   67    3    3 o  197.217   13.870 15984.57  2206.93 18057.87  2935.26 13288.32  3347.31  208.971   17.459  177.505   23.826 31.46634 29.53800 
1 1 1   67    3    4 o  291.819   16.293 35060.40  3845.13 31847.78  5251.08 38774.50  5646.06  275.936   23.666  304.898   22.975 -28.96222 32.98375 
1 1 1   67    3    5 o  346.438   13.917 49167.01  3914.78 45168.20  5438.01 53468.75  5640.21  329.761   20.410  359.262   19.407 -29.50116 28.16383 
1 1 1   67    3    6 o  191.035   11.785 14982.77  1819.15 14443.43  2310.08 15863.24  2951.56  186.821   15.365  194.940   18.884 -8.119400 24.34503 
1 1 1   67    3    7 o  256.562   14.878 27181.53  3085.99 28195.43  3537.72 23954.50  6311.42  260.721   16.801  232.445   34.486 28.27628 38.36073 
1 1 1   67    3    8 o  120.467   9.9681  5973.62  966.270  6117.36  1312.19  5803.35  1428.19  121.227   13.563  117.633   15.316 3.593399 20.45825 
1 1 1   67    3    9 o   64.659   11.955  1769.92  604.510  1850.66  803.942  1664.89  916.978   65.613   15.361   62.367   17.432 3.245598 23.23419 
1 1 1   67    3   10 o  237.490   11.718 23181.55  2259.62 23046.96  3204.23 23314.70  3187.00  234.686   16.929  236.132   16.730 -1.446091 23.80106 
1 1 1   67    3   11 o   50.044   15.038  1051.41  660.381  210.713  943.377  1859.22  924.740   41.314   17.137   65.514   17.174 -24.19932 24.26173 
1 1 1   67    3   12 o  143.720   10.505  8534.08  1217.41  7536.40  1703.40  9575.75  1740.55  133.443   16.043  151.193   14.350 -17.74979 21.52405 
1 1 1   67    3   13 o   85.811   13.692  3131.83  921.912  2967.15  1353.02  3274.54  1259.56   81.768   20.436   86.411   18.509 -4.643013 27.57199 
1 1 1   67    3   14 o  140.227   11.808  8203.37  1331.95  8974.96  1896.50  7452.31  1871.09  144.985   16.398  131.291   18.028 13.69363 24.36993 
1 1 1   67    3   15 o   85.796   15.453  3198.13  1036.91  2936.37  1431.88  3486.76  1503.55   80.363   21.516   87.583   21.339 -7.219986 30.30318 
1 1 1   67    3   16 o  188.936   12.372 15032.19  1887.53 14390.67  2631.17 15712.37  2709.28  181.194   18.127  189.632   17.804 -8.437866 25.40837 
1 1 1   67    3   17 o   39.225   16.487  199.022  890.372  216.915  1188.47  176.131  1344.21   44.299   18.853   46.220   19.870 -1.920448 27.39072 
1 1 1   67    3   18 o   31.994   14.433 -298.0703  794.543  394.312  1015.81 -1389.2850  1275.24   42.950   17.796   34.320   16.382 8.630898 24.18825 
1 1 1   67    5    0 o   38.860   8.7015  639.192  267.729  584.821  272.709  2087.16  1407.33   37.161   9.1087   71.148   22.066 -33.98759 23.87256 
1 1 1   67    5    1 o  249.092   15.773 25527.12  3173.69 26447.95  4210.53 24315.71  4829.40  252.372   20.731  240.660   25.083 11.71262 32.54100 
1 1 1   67    5    2 o   39.764   11.706  655.331  403.345  895.331  434.061 -862.6500  1091.64   45.956   11.624   35.353   16.313 10.60332 20.03091 
1 1 1   67    5    3 o  356.877   19.411 52654.10  5603.62 52149.46  7605.06 53253.50  8288.39  352.320   26.785  355.034   29.005 -2.713593 39.48064 
1 1 1   67    5    4 o  294.277   22.925 36182.93  5434.54 36182.93  5434.54   0.0000   0.0000  294.277   22.925  ?   ?  0.000000 22.92496 
1 1 1   67    5    5 o  189.216   13.832 14751.34  2110.42 14751.34  2110.42   0.0000   0.0000  189.216   13.832  ?   ?  0.000000 13.83226 
1 1 1   67    5    6 o  335.095   13.871 46096.21  3774.01 44704.31  5229.47 47609.08  5451.98  327.592   19.753  338.014   19.953 -10.42282 28.07648 
1 1 1   67    5    7 o  202.940   11.152 16908.29  1830.64 16958.88  2502.27 16850.03  2685.24  202.247   15.352  201.247   16.581 0.9998627 22.59646 
1 1 1   67    5    8 o   43.863   13.601  789.122  534.675  146.117  639.233  2286.75  975.561   34.302   14.157   72.866   16.829 -38.56316 21.99165 
1 1 1   67    5    9 f  216.565   11.620 19310.15  2035.88 18011.65  2816.17 20731.71  2946.59  207.532   16.858  222.911   16.395 -15.37895 23.51555 
1 1 1   67    5   10 o   84.793   11.042  3000.09  742.193  2951.77  980.831  3064.83  1135.26   83.179   15.078   84.297   17.169 -1.118134 22.85013 
1 1 1   67    5   11 o  196.818   11.364 15989.67  1808.34 15866.91  2573.64 16109.38  2541.42  194.324   16.466  195.949   16.116 -1.625473 23.04040 
1 1 1   67    5   12 o  368.618   16.263 56877.04  4867.49 56901.72  6951.74 56853.29  6817.56  361.924   23.788  362.244   23.302 -0.3207092 33.29993 
1 1 1   67    5   13 o  150.829   10.925  9429.91  1328.95  7384.60  1831.30 11705.28  1931.55  131.140   17.646  166.935   14.391 -35.79530 22.77025 
1 1 1   67    5   14 o  130.812   11.633  7145.11  1222.73  6117.84  1641.46  8425.71  1832.71  118.867   17.534  140.334   16.393 -21.46767 24.00321 
1 1 1   67    5   15 o  104.468   12.456  4615.99  1035.73  4760.25  1358.53  4415.74  1600.55  104.584   16.549   98.947   20.592 5.636650 26.41741 
1 1 1   67    5   16 o   57.532   16.487  1465.71  809.825  1052.02  1016.23  2185.55  1340.50   52.020   18.778   69.301   21.543 -17.28114 28.57854 
1 1 1   67    5   17 o   71.799   16.135  2324.13  917.718  2760.89  1119.86  1431.03  1601.37   77.560   18.111   60.537   23.227 17.02305 29.45303 
1 1 1   67    7    2 o  259.606   25.138 28337.08  5232.52   0.0000   0.0000 28337.08  5232.52  ?   ?   259.606   25.138 0.000000 25.13806 
1 1 1   67    7    3 o   62.005   21.624  1431.93  1337.60   0.0000   0.0000  1431.93  1337.60  ?   ?    62.005   21.624 0.000000 21.62373 
1 1 1   67    7    4 o   46.812   12.055  929.871  461.001  661.151  497.037  2584.10  1233.21   40.786   13.174   77.559   19.580 -36.77291 23.59921 
1 1 1   67    7    5 o  253.532   12.929 26407.70  2652.75 25854.24  3281.90 27450.81  4505.55  249.999   16.256  255.740   21.909 -5.740662 27.28128 
1 1 1   67    7    6 o  325.092   14.039 43446.94  3705.84 43974.51  5090.90 42852.28  5404.88  324.693   19.399  319.813   20.929 4.879852 28.53674 
1 1 1   67    7    7 o  162.357   10.706 10836.12  1403.40 11611.01  1850.72  9787.65  2152.77  167.437   13.734  152.597   17.704 14.83977 22.40608 
1 1 1   67    7    8 o  200.947   10.792 16593.61  1754.34 16128.66  2377.99 17148.88  2598.72  197.005   14.978  202.883   15.903 -5.876999 21.84575 
1 1 1   67    7    9 o  273.234   13.871 30903.54  3067.30 30079.12  3879.21 32278.80  5010.28  267.833   17.942  274.961   22.643 -7.127899 28.88940 
1 1 1   67    7   10 o  223.900   11.734 20683.27  2125.82 20885.92  2963.61 20468.49  3051.01  223.288   16.462  220.743   17.157 2.545197 23.77761 
1 1 1   67    7   11 o   32.051   12.853  208.369  509.366   24.025  621.753  584.610  888.253   32.148   13.658   44.905   17.282 -12.75669 22.02738 
1 1 1   67    7   12 o   32.250   14.692 -501.8764  848.191 -2063.1101  3415.51 -399.2666  875.620   61.917   28.670   33.748   15.195 28.16908 32.44795 
1 1 1   67    7   13 o  114.986   10.953  5505.38  1010.25  5431.09  1325.24  5608.45  1560.94  113.061   14.791  113.984   17.419 -0.9231796 22.85100 
1 1 1   67    7   14 o  146.151   10.999  8890.91  1295.66  7478.79  1716.00 10763.54  1976.10  131.985   16.363  159.055   15.498 -27.07034 22.53761 
1 1 1   67    7   15 o  201.095   11.513 16896.00  1872.12 13029.46  2552.80 21395.33  2753.78  172.647   18.498  224.065   15.227 -51.41798 23.95906 
1 1 1   67    7   16 o   93.416   13.758  3772.22  1012.33  3601.36  1287.44  4048.98  1638.53   89.252   18.377   92.931   22.047 -3.678757 28.70214 
1 1 1   67    7   17 o  108.038   13.166  5048.31  1131.05  4195.23  1431.56  6465.44  1845.11   95.197   19.183  118.206   19.933 -23.00875 27.66457 
1 1 1   67    9    0 o   90.663   27.256  3494.19  2169.07   0.0000   0.0000  3494.19  2169.07  ?   ?    90.663   27.256 0.000000 27.25625 
1 1 1   67    9    1 f  205.611   24.878 17889.98  4068.93   0.0000   0.0000 17889.98  4068.93  ?   ?   205.611   24.878 0.000000 24.87839 
1 1 1   67    9    2 o  166.182   23.682 11727.52  3105.16   0.0000   0.0000 11727.52  3105.16  ?   ?   166.182   23.682 0.000000 23.68232 
1 1 1   67    9    3 o  348.164   30.003 51854.07  8399.07   0.0000   0.0000 51854.07  8399.07  ?   ?   348.164   30.003 0.000000 30.00347 
1 1 1   67    9    4 o  201.147   22.876 17117.81  3669.80   0.0000   0.0000 17117.81  3669.80  ?   ?   201.147   22.876 0.000000 22.87631 
1 1 1   67    9    5 o  217.489   18.194 19740.15  3183.45 24911.13  5679.05 17370.75  3844.23  239.411   29.863  201.918   23.912 37.49292 38.25710 
1 1 1   67    9    6 o  348.156   13.797 49883.89  3900.44 44995.64  4813.07 59235.60  6657.19  328.598   18.109  374.955   21.962 -46.35739 28.46530 
1 1 1   67    9    7 o  190.065   11.010 14855.81  1691.89 13901.28  2210.07 16207.18  2629.65  182.824   15.021  196.999   16.594 -14.17543 22.38288 
1 1 1   67    9    8 o  110.780   9.6969  5060.65  863.451  4797.85  1068.62  5554.91  1465.53  107.285   12.502  114.617   16.199 -7.331497 20.46193 
1 1 1   67    9    9 o  248.759   11.821 25459.71  2387.58 25820.31  3270.46 25048.20  3493.67  248.549   16.296  244.141   17.745 4.407715 24.09234 
1 1 1   67    9   10 o  126.947   10.062  6652.85  1028.62  6006.01  1306.40  7708.05  1668.56  119.715   13.686  135.273   15.469 -15.55782 20.65416 
1 1 1   67    9   11 o  157.268   10.901 10228.32  1383.39 10278.92  1825.63 10160.07  2120.01  156.564   14.526  154.686   17.169 1.878281 22.48955 
1 1 1   67    9   12 f   69.592   11.706  2053.51  637.986  1854.37  754.775  2551.81  1193.96   65.444   14.578   75.996   19.310 -10.55142 24.19454 
1 1 1   67    9   13 o   62.827   14.246  1713.91  710.021  1541.36  860.895  2080.93  1255.56   59.521   16.980   68.806   20.749 -9.284634 26.81102 
1 1 1   67    9   14 o  153.792   11.065  9858.04  1372.45  9805.77  1795.68  9931.47  2128.31  151.878   14.747  151.431   17.640 0.4469604 22.99221 
1 1 1   67    9   15 o   76.292   14.403  2538.60  859.515  1985.12  1046.26  3687.55  1507.42   66.444   18.637   89.560   21.080 -23.11616 28.13697 
1 1 1   67    9   16 o   52.997   16.352  1232.91  773.971  993.605  936.269  1749.35  1375.43   50.148   18.034   63.130   21.932 -12.98143 28.39482 
1 1 1   67    9   17 o  119.763   12.400  6172.91  1188.36  6107.28  1471.04  6296.21  2016.21  117.077   15.885  114.072   22.567 3.004608 27.59704 
1 1 1   67   11    0 o  309.509   29.966 41104.49  7436.48   0.0000   0.0000 41104.49  7436.48  ?   ?   309.509   29.966 0.000000 29.96593 
1 1 1   67   11    1 o  420.475   35.763 77311.06 12094.08   0.0000   0.0000 77311.06 12094.08  ?   ?   420.475   35.763 0.000000 35.76333 
1 1 1   67   11    2 o  178.372   23.972 13562.64  3383.98   0.0000   0.0000 13562.64  3383.98  ?   ?   178.372   23.972 0.000000 23.97163 
1 1 1   67   11    3 o  347.316   30.631 52184.88  8549.78   0.0000   0.0000 52184.88  8549.78  ?   ?   347.316   30.631 0.000000 30.63106 
1 1 1   67   11    4 o  216.001   24.104 19903.95  4155.38   0.0000   0.0000 19903.95  4155.38  ?   ?   216.001   24.104 0.000000 24.10390 
1 1 1   67   11    5 o  272.997   20.445 31357.86  4499.04 34477.43  7626.79 29692.95  5571.72  277.736   34.568  262.522   26.502 15.21439 43.55761 
1 1 1   67   11    6 o  260.029   20.119 28507.77  4214.84 29993.57  7288.42 27761.23  5166.32  256.941   35.917  253.833   25.408 3.107910 43.99515 
1 1 1   67   11    7 o  207.359   19.109 18155.27  3181.20 19796.00  5917.02 17488.19  3772.88  206.861   36.565  201.535   23.497 5.326889 43.46416 
1 1 1   67   11    8 o   49.834   9.1333  1047.63  355.943  990.757  378.082  1491.06  1055.68   48.300   9.9709   60.002   19.181 -11.70208 21.61749 
1 1 1   67   11    9 o   53.429   9.3878  1203.20  392.403  1355.25  424.302  304.523  1031.55   56.753   9.5464   43.912   18.038 12.84130 20.40825 
1 1 1   67   11   10 o   94.147   9.3375  3669.24  704.383  2890.37  774.630  7388.74  1692.79   82.914   11.843  132.051   16.123 -49.13696 20.00474 
1 1 1   67   11   11 o   22.069   9.4105  -2.5703  297.136 -14.1293  310.226  125.793  1033.81   22.340   9.5731   41.909   17.698 -19.56821 20.12109 
1 1 1   67   11   12 o   16.064   7.4736 -215.0708  236.334 -128.2158  242.717 -1801.5790  1037.35   17.661   7.9713   28.512   13.890 -10.85095 16.01523 
1 1 1   67   11   13 o   68.038   21.040  2037.34  1280.47  3303.79  5220.01  1956.26  1320.83   95.541   40.026   67.039   21.457 28.50141 45.41451 
1 1 1   67   11   14 o  133.848   10.219  7462.63  1102.25  6539.18  1348.89  9318.54  1912.26  124.015   13.620  146.963   16.300 -22.94850 21.24096 
1 1 1   67   11   15 o   55.175   13.180  1335.63  582.359  1332.75  644.347  1348.44  1360.78   54.961   14.301   58.558   21.636 -3.596943 25.93571 
1 1 1   67   11   16 o   50.610   13.595  1134.14  570.561  1416.23  641.334   63.471  1249.46   56.385   14.057   43.702   18.971 12.68343 23.61162 
1 1 1   67   13    0 o  347.584   32.926 53003.38  9181.86   0.0000   0.0000 53003.38  9181.86  ?   ?   347.584   32.926 0.000000 32.92621 
1 1 1   67   13    1 o  144.257   27.268  9132.70  3076.97   0.0000   0.0000  9132.70  3076.97  ?   ?   144.257   27.268 0.000000 27.26836 
1 1 1   67   13    2 o  314.076   29.990 42947.65  7555.20   0.0000   0.0000 42947.65  7555.20  ?   ?   314.076   29.990 0.000000 29.99046 
1 1 1   67   13    3 o   74.612   25.415  2231.69  1843.89   0.0000   0.0000  2231.69  1843.89  ?   ?    74.612   25.415 0.000000 25.41526 
1 1 1   67   13    4 o  156.138   24.470 10586.92  3000.39   0.0000   0.0000 10586.92  3000.39  ?   ?   156.138   24.470 0.000000 24.47036 
1 1 1   67   13    5 o  108.088   23.086  5131.53  1964.59  3219.44  4378.85  5613.41  2198.25   97.169   38.096  112.660   24.711 -15.49104 45.40871 
1 1 1   67   13    6 o  102.107   23.108  4601.52  1871.11  1657.42  4761.22  5139.26  2034.82   90.782   38.139  107.791   23.878 -17.00875 44.99737 
1 1 1   67   13    7 o   78.786   23.410  2707.12  1607.05  9752.05  4150.08  1464.40  1743.03  143.578   35.739   65.252   24.412 78.32608 43.28076 
1 1 1   67   13    8 o  137.434   17.280  8024.31  1885.67 10869.27  5150.04  7583.85  2026.39  147.823   41.309  132.817   19.359 15.00592 45.62009 
1 1 1   67   13    9 o  157.113   16.761 10453.87  2105.26 13635.83  5748.58  9961.01  2262.44  163.594   42.789  152.585   18.649 11.00879 46.67618 
1 1 1   67   13   10 o  153.170   16.697  9967.17  2042.94 10591.88  5879.09  9881.37  2178.71  141.149   45.279  151.963   18.008 -10.81404 48.72836 
1 1 1   67   13   11 o  174.775   9.5145 12597.12  1345.13 10607.39  1660.13 16400.15  2295.14  159.258   12.950  197.606   14.404 -38.34824 19.36947 
1 1 1   67   13   12 o   46.952   10.055  943.240  371.759  967.413  388.322  677.859  1286.66   47.513   10.358   51.261   20.474 -3.747311 22.94478 
1 1 1   67   13   13 o   71.112   9.2686  2119.26  522.452  1622.89  561.947  5282.78  1418.65   61.494   11.682  110.349   16.326 -48.85528 20.07468 
1 1 1   67   13   14 o   68.687   9.6326  1990.37  522.458  2006.13  575.627  1916.68  1244.64   68.684   10.668   65.491   20.815 3.193390 23.38949 
1 1 1   67   13   15 o   30.132   11.310  292.754  374.743  475.166  390.172 -1877.7750  1345.90   34.592   11.692   33.654   16.260 0.9380951 20.02697 
1 1 1   67   13   16 o   86.719   10.429  3203.71  719.634  3539.77  795.265  1684.70  1690.76   90.983   10.988   62.809   23.921 28.17381 26.32398 
1 1 1   67   15    0 o   89.846   30.764  3367.21  2701.85   0.0000   0.0000  3367.21  2701.85  ?   ?    89.846   30.764 0.000000 30.76431 
1 1 1   67   15    1 o  432.080   39.202 86221.63 13603.73   0.0000   0.0000 86221.63 13603.73  ?   ?   432.080   39.202 0.000000 39.20205 
1 1 1   67   15    2 o  109.728   28.528  5427.50  2565.41   0.0000   0.0000  5427.50  2565.41  ?   ?   109.728   28.528 0.000000 28.52839 
1 1 1   67   15    3 o  190.982   25.975 15947.95  3923.46   0.0000   0.0000 15947.95  3923.46  ?   ?   190.982   25.975 0.000000 25.97484 
1 1 1   67   15    4 o  369.858   33.946 61954.64 10080.52   0.0000   0.0000 61954.64 10080.52  ?   ?   369.858   33.946 0.000000 33.94555 
1 1 1   67   15    5 o  390.109   25.887 66139.88  8153.24 68449.61 13013.76 64647.50 10460.72  375.616   43.473  376.138   34.640 -0.5221252 55.58669 
1 1 1   67   15    6 o  155.510   22.041 10490.00  2705.17  8714.46  5699.56 11006.28  3073.40  132.416   44.686  158.095   24.755 -25.67847 51.08418 
1 1 1   67   15    7 o  108.545   24.005  5266.68  2059.51  6462.03  5013.58  5024.03  2258.90  117.074   41.771  105.211   26.466 11.86263 49.44999 
1 1 1   67   15    8 o  237.615   21.585 24375.99  4118.99 29523.38  8253.65 22668.86  4753.19  241.672   43.668  225.811   26.424 15.86081 51.04052 
1 1 1   67   15    9 o  157.511   17.721 10601.39  2227.02 16226.93  6424.85  9833.18  2374.21  174.873   44.990  150.669   19.893 24.20387 49.19157 
1 1 1   67   15   10 o   77.316   22.003  2671.94  1447.40  4060.90  5530.42  2569.81  1499.67  102.018   41.819   75.981   22.623 26.03731 47.54649 
1 1 1   67   15   11 o   81.206   24.412  2998.23  1740.03 -3662.1750  5810.07  3654.47  1823.74   75.377   35.688   89.107   24.462 -13.72962 43.26706 
1 1 1   67   15   12 o  110.174   21.569  5492.60  1860.46  7061.49  6690.83  5361.13  1936.84  113.793   46.247  108.222   22.763 5.570557 51.54543 
1 1 1   67   15   13 o   80.552   22.888  3024.62  1567.40 12641.43  6911.52  2503.21  1609.33  136.354   49.003   73.923   23.687 62.43184 54.42755 
1 1 1   67   15   14 o   62.507   21.213  1723.92  1284.45  1618.18  7441.92  1727.16  1304.02   89.473   41.731   62.626   21.373 26.84771 46.88583 
1 1 1   67   15   15 o   91.428   9.2264  3516.72  675.574  3579.43  749.285  3244.20  1561.95   91.892   10.215   81.487   22.742 10.40528 24.93044 
1 1 1   67   17    0 o  115.367   33.495  6216.38  3322.76   0.0000   0.0000  6216.38  3322.76  ?   ?   115.367   33.495 0.000000 33.49453 
1 1 1   67   17    1 o  226.810   29.834 23092.32  5360.96   0.0000   0.0000 23092.32  5360.96  ?   ?   226.810   29.834 0.000000 29.83386 
1 1 1   67   17    2 o   80.190   28.604  2573.14  2350.76   0.0000   0.0000  2573.14  2350.76  ?   ?    80.190   28.604 0.000000 28.60371 
1 1 1   67   17    3 o  122.897   27.020  6829.12  2622.88   0.0000   0.0000  6829.12  2622.88  ?   ?   122.897   27.020 0.000000 27.02031 
1 1 1   67   17    4 o  130.526   28.414  7772.93  2926.00   0.0000   0.0000  7772.93  2926.00  ?   ?   130.526   28.414 0.000000 28.41443 
1 1 1   67   17    5 o   38.723   18.297 -1613.3621  1512.93   0.0000   0.0000 -1613.3621  1512.93  ?   ?    38.723   18.297 0.000000 18.29685 
1 1 1   67   17    6 o   54.165   22.679  381.155  1674.32 -671.3247  4862.36  522.737  1783.39   79.872   35.899   56.725   23.548 23.14663 42.93307 
1 1 1   67   17    7 o  234.796   22.901 24074.54  4310.45 24285.04  8388.83 23999.03  5024.48  210.297   49.882  231.118   27.302 -20.82065 56.86475 
1 1 1   67   17    8 o  298.030   23.340 38965.91  5602.83 48943.80 10441.49 34931.26  6639.67  309.481   42.688  275.398   30.187 34.08289 52.28330 
1 1 1   67   17    9 o  121.906   25.168  6797.56  2408.70  3982.42  6494.41  7246.57  2593.69  104.215   44.203  125.346   26.322 -21.13123 51.44615 
1 1 1   67   17   10 o   37.913   16.854 -295.5798  1040.95 -7308.8950  5789.74 -61.3011  1058.19   67.045   32.697   40.303   17.477 26.74187 37.07456 
1 1 1   67   17   11 o  150.894   19.284 10011.36  2308.62 11200.62  7899.23  9900.29  2414.02  130.602   51.178  149.361   20.442 -18.75902 55.10921 
1 1 1   67   17   12 o   36.232   16.862 -933.1458  1204.38  5170.12  6672.06 -1138.7130  1224.49  102.486   44.164   35.391   16.642 67.09496 47.19551 
1 1 1   67   17   13 o   43.582   19.585 -395.1530  1446.36 -3147.4719  7508.64 -289.0927  1473.97   79.739   38.497   44.733   19.959 35.00595 43.36315 
1 1 1   67   17   14 o   65.441   23.848  1911.72  1644.61 -8293.5967  7141.82  2483.20  1690.03   67.370   33.495   71.940   24.333 -4.569656 41.40073 
1 1 1   67   17   15 o   43.671   19.586 -216.9370  1438.98 -1165.1240  9372.57 -194.0469  1456.25   79.882   39.477   44.068   19.738 35.81345 44.13614 
1 1 1   67   19    0 o   59.040   26.539 -796.4653  2658.30   0.0000   0.0000 -796.4653  2658.30  ?   ?    59.040   26.539 0.000000 26.53899 
1 1 1   67   19    1 o   70.094   28.706  1162.58  2602.73   0.0000   0.0000  1162.58  2602.73  ?   ?    70.094   28.706 0.000000 28.70582 
1 1 1   67   19    2 o  119.735   30.040  6703.74  2915.65   0.0000   0.0000  6703.74  2915.65  ?   ?   119.735   30.040 0.000000 30.04017 
1 1 1   67   19    3 o  121.711   30.897  6979.60  3058.79   0.0000   0.0000  6979.60  3058.79  ?   ?   121.711   30.897 0.000000 30.89709 
1 1 1   67   19    4 f   48.098   21.898 -935.0305  1880.30   0.0000   0.0000 -935.0305  1880.30  ?   ?    48.098   21.898 0.000000 21.89799 
1 1 1   67   19    5 o  231.676   29.339 24569.03  5395.40   0.0000   0.0000 24569.03  5395.40  ?   ?   231.676   29.339 0.000000 29.33911 
1 1 1   67   19    6 o  153.481   24.840 10591.38  2989.81  2726.94  7260.05 12197.52  3280.94  103.243   45.255  164.583   25.366 -61.33958 51.87968 
1 1 1   67   19    7 o   66.519   25.084  1606.26  1847.55   0.0000   0.0000  1606.26  1847.55  ?   ?    66.519   25.084 0.000000 25.08422 
1 1 1   67   19    8 o   98.714   27.962  4605.39  2343.10  4264.66  6812.55  4651.10  2495.34  105.040   44.932   98.874   29.118 6.166100 53.54194 
1 1 1   67   19    9 o   50.035   22.039 -196.2056  1740.60  4068.34  6532.21 -522.1451  1805.89  101.958   43.815   48.858   21.925 53.10019 48.99471 
1 1 1   67   19   10 o   72.748   21.495  2402.34  1357.78 -3719.8760  7396.43  2615.85  1381.25   81.999   39.227   75.694   21.478 6.305222 44.72184 
1 1 1   67   19   11 o  194.404   20.207 16877.88  3143.11 14040.18 10304.67 17168.97  3300.39  128.921   55.207  195.255   21.156 -66.33411 59.12148 
1 1 1   67   19   12 o  156.204   20.536 11119.49  2541.48  9997.55  8721.00 11223.62  2656.80  113.126   49.594  156.134   21.529 -43.00800 54.06510 
1 1 1   67   19   13 o   32.438   15.933 -2597.2151  1450.22  2735.94  6986.67 -2837.3401  1482.51   87.132   40.571   32.147   15.852 54.98581 43.55730 
1 1 1   67   19   14 o   75.007   26.563  2903.98  2023.77   0.0000   0.0000  2903.98  2023.77  ?   ?    75.007   26.563 0.000000 26.56276 
1 1 1   67   21    0 o  186.006   37.410 17304.45  5454.22   0.0000   0.0000 17304.45  5454.22  ?   ?   186.006   37.410 0.000000 37.40973 
1 1 1   67   21    1 o  290.631   35.243 40882.30  8146.72   0.0000   0.0000 40882.30  8146.72  ?   ?   290.631   35.243 0.000000 35.24334 
1 1 1   67   21    2 o  224.388   31.611 23727.21  5599.70   0.0000   0.0000 23727.21  5599.70  ?   ?   224.388   31.611 0.000000 31.61057 
1 1 1   67   21    3 o  139.917   30.768  9337.93  3400.43   0.0000   0.0000  9337.93  3400.43  ?   ?   139.917   30.768 0.000000 30.76838 
1 1 1   67   21    4 o  105.088   30.324  5288.08  2730.98   0.0000   0.0000  5288.08  2730.98  ?   ?   105.088   30.324 0.000000 30.32400 
1 1 1   67   21    5 o   71.386   28.408  1638.67  2468.81   0.0000   0.0000  1638.67  2468.81  ?   ?    71.386   28.408 0.000000 28.40839 
1 1 1   67   21    6 o  161.251   31.440 12564.59  3968.57   0.0000   0.0000 12564.59  3968.57  ?   ?   161.251   31.440 0.000000 31.43999 
1 1 1   67   21    7 o   60.225   25.597  515.945  2185.39  6984.83  7298.14 -121.2381  2290.50  114.378   47.572   57.342   25.269 57.03611 53.86681 
1 1 1   67   21    8 o   70.707   25.961  2059.62  1954.25 -1056.5990  7714.21  2273.32  2020.15   89.354   41.937   73.140   26.465 16.21422 49.58937 
1 1 1   67   21    9 o  134.048   29.097  8832.84  3076.12  4546.66  9122.30  9382.75  3267.50  104.545   47.841  137.427   30.114 -32.88271 56.52945 
1 1 1   67   21   10 o   59.444   21.447  1448.40  1325.35  6905.40  8727.62  1319.59  1340.91  106.854   48.054   58.018   21.470 48.83591 52.63213 
1 1 1   67   21   11 o  118.424   22.754  6648.79  2108.39 17519.58  8784.48  5984.28  2171.88  137.155   53.900  110.725   24.776 26.42999 59.32225 
1 1 1   67   21   12 o   50.950   21.667  473.993  1567.49   24.778 10025.01  485.250  1587.01   86.170   42.236   51.260   21.800 34.91056 47.53038 
1 1 1   67   21   13 f   73.196   30.039  2598.00  2857.67   0.0000   0.0000  2598.00  2857.67  ?   ?    73.196   30.039 0.000000 30.03941 
1 1 1   67   23    2 o  209.825   36.185 22307.44  5942.17   0.0000   0.0000 22307.44  5942.17  ?   ?   209.825   36.185 0.000000 36.18484 
1 1 1   67   23    3 o  122.860   33.218  7629.00  3393.24   0.0000   0.0000  7629.00  3393.24  ?   ?   122.860   33.218 0.000000 33.21826 
1 1 1   67   23    4 o   71.643   29.542  1464.15  2780.15   0.0000   0.0000  1464.15  2780.15  ?   ?    71.643   29.542 0.000000 29.54201 
1 1 1   67   23    5 o   37.755   18.570 -3730.4939  1992.34   0.0000   0.0000 -3730.4939  1992.34  ?   ?    37.755   18.570 0.000000 18.57029 
1 1 1   67   23    6 o  107.770   34.145  6053.92  3351.25   0.0000   0.0000  6053.92  3351.25  ?   ?   107.770   34.145 0.000000 34.14516 
1 1 1   67   23    7 o   80.253   30.179  2870.18  2670.39 -6154.5498  9181.58  3704.11  2791.04   83.525   40.829   87.474   31.171 -3.948723 51.36782 
1 1 1   67   23    8 o  150.971   31.595 11698.46  3748.72 17664.30 10844.19 10888.78  3995.02  134.767   57.137  141.958   34.904 -7.190338 66.95499 
1 1 1   67   23    9 o  114.336   30.394  6863.32  2870.18  7352.63 10618.43  6824.75  2981.16  104.645   49.142  113.119   31.364 -8.474579 58.29802 
1 1 1   67   23   10 o   99.141   23.648  4816.48  1876.96 -1441.5800 11086.63  5001.14  1904.46   87.581   43.217  101.091   23.626 -13.50984 49.25327 
1 1 1   67   23   11 o  144.614   34.441 12280.90  3986.17   0.0000   0.0000 12280.90  3986.17  ?   ?   144.614   34.441 0.000000 34.44068 
1 1 1   67   23   12 o  108.142   36.052  7941.38  3709.78   0.0000   0.0000  7941.38  3709.78  ?   ?   108.142   36.052 0.000000 36.05159 
1 1 1   67   25    0 o  101.034   39.970  5453.25  4860.75   0.0000   0.0000  5453.25  4860.75  ?   ?   101.034   39.970 0.000000 39.97038 
1 1 1   67   25    4 o   91.778   34.694  4233.58  3539.70   0.0000   0.0000  4233.58  3539.70  ?   ?    91.778   34.694 0.000000 34.69362 
1 1 1   67   25    5 o  187.220   35.766 18856.69  5238.73   0.0000   0.0000 18856.69  5238.73  ?   ?   187.220   35.766 0.000000 35.76571 
1 1 1   67   25    6 o   75.963   31.397  2192.69  3150.49   0.0000   0.0000  2192.69  3150.49  ?   ?    75.963   31.397 0.000000 31.39714 
1 1 1   67   25    7 o   88.422   33.730  4131.63  3365.04   0.0000   0.0000  4131.63  3365.04  ?   ?    88.422   33.730 0.000000 33.73026 
1 1 1   67   25    8 o   53.156   24.683 -1049.1720  2557.94  8966.22 11446.67 -1575.5970  2624.30  101.717   48.696   51.687   24.323 50.03019 54.43232 
1 1 1   67   25    9 o   69.469   28.211  2079.50  2487.33   0.0000   0.0000  2079.50  2487.33  ?   ?    69.469   28.211 0.000000 28.21106 
1 1 1   67   25   10 o   61.500   26.228  1222.39  2308.81   0.0000   0.0000  1222.39  2308.81  ?   ?    61.500   26.228 0.000000 26.22839 
1 1 1   67   27    0 o  115.394   42.282  8994.92  5180.08   0.0000   0.0000  8994.92  5180.08  ?   ?   115.394   42.282 0.000000 42.28242 
1 1 1   67   27    1 o  101.512   41.831  6576.88  5569.74   0.0000   0.0000  6576.88  5569.74  ?   ?   101.512   41.831 0.000000 41.83106 
1 1 1   67   27    2 o  105.625   40.205  7124.86  4774.39   0.0000   0.0000  7124.86  4774.39  ?   ?   105.625   40.205 0.000000 40.20501 
1 1 1   67   27    6 f   95.798   35.165  5668.18  3585.32   0.0000   0.0000  5668.18  3585.32  ?   ?    95.798   35.165 0.000000 35.16541 
1 1 1   67   27    7 o   66.193   28.628  1430.97  2824.05   0.0000   0.0000  1430.97  2824.05  ?   ?    66.193   28.628 0.000000 28.62792 
1 1 1   67   27    8 o   70.062   29.572  2238.77  2883.99   0.0000   0.0000  2238.77  2883.99  ?   ?    70.062   29.572 0.000000 29.57162 
1 1 1   67   27    9 f   96.570   34.888  6611.51  3508.86   0.0000   0.0000  6611.51  3508.86  ?   ?    96.570   34.888 0.000000 34.88825 
1 1 1   67   29    0 o   86.682   40.061  4697.42  6621.74   0.0000   0.0000  4697.42  6621.74  ?   ?    86.682   40.061 0.000000 40.06079 
1 1 1   67   29    1 f  114.284   47.216 13199.24  7120.56   0.0000   0.0000 13199.24  7120.56  ?   ?   114.284   47.216 0.000000 47.21612 
1 1 1   67   29    2 o  104.152   42.385  9110.45  5629.41   0.0000   0.0000  9110.45  5629.41  ?   ?   104.152   42.385 0.000000 42.38497 
1 1 1   67   29    3 o   95.652   39.846  7092.50  5131.70   0.0000   0.0000  7092.50  5131.70  ?   ?    95.652   39.846 0.000000 39.84637 
1 1 1   67   29    4 o   81.276   34.274  3980.05  3868.64   0.0000   0.0000  3980.05  3868.64  ?   ?    81.276   34.274 0.000000 34.27444 
1 1 1   67   31    0 o   68.621   33.961 -441.8855  7026.70   0.0000   0.0000 -441.8855  7026.70  ?   ?    68.621   33.961 0.000000 33.96086 
1 1 1   67   31    1 o   79.423   38.132  5820.27  7131.20   0.0000   0.0000  5820.27  7131.20  ?   ?    79.423   38.132 0.000000 38.13185 
1 1 1   67   31    2 o   60.616   29.651 -1743.2950  4867.53   0.0000   0.0000 -1743.2950  4867.53  ?   ?    60.616   29.651 0.000000 29.65127 
1 1 1   67   31    3 o   74.770   35.945  4005.62  6384.23   0.0000   0.0000  4005.62  6384.23  ?   ?    74.770   35.945 0.000000 35.94544 
1 1 1   68    0    0 o   49.658   25.182  1489.51  1267.06   0.0000   0.0000  1489.51  1267.06   49.658   25.182   49.658   25.182 0.000000 0.000000 
1 1 1   68    0    1 o   90.424   24.319  3995.15  1543.09   0.0000   0.0000  3995.15  1543.09   90.424   24.319   90.424   24.319 0.000000 0.000000 
1 1 1   68    0    2 o  520.744   39.939 116242.40 16659.00   0.0000   0.0000 116242.40 16659.00  520.744   39.939  520.744   39.939 0.000000 0.000000 
1 1 1   68    0    3 o  269.555   23.728 30611.54  5100.69   0.0000   0.0000 30611.54  5100.69  269.555   23.728  269.555   23.728 0.000000 0.000000 
1 1 1   68    0    4 o   68.256   22.512  2442.34  1108.18   0.0000   0.0000  2442.34  1108.18   68.256   22.512   68.256   22.512 0.000000 0.000000 
1 1 1   68    0    5 o  170.392   15.900 12194.41  2155.75 10997.76  4463.05 12558.56  2462.00  145.106   43.481  172.154   18.068 0.000000 0.000000 
1 1 1   68    0    6 o   53.445   20.555  1597.97  844.480  2145.68  2476.42  1525.90  898.326   60.329   33.746   51.243   21.495 0.000000 0.000000 
1 1 1   68    0    7 o  263.375   17.365 28951.20  3676.58 33120.48  6550.54 27033.79  4442.26  274.863   30.289  252.215   22.081 0.000000 0.000000 
1 1 1   68    0    8 o   59.800   19.630  1879.96  845.390  1563.95  2859.42  1910.22  884.951   56.700   34.163   59.847   20.324 0.000000 0.000000 
1 1 1   68    0    9 o  233.966   36.002 25468.07  6357.73 25468.07  6357.73   0.0000   0.0000  233.966   36.002  233.966   36.002 0.000000 0.000000 
1 1 1   68    0   10 o   26.922   16.588  243.973  707.621 -3904.6531  2624.90  569.095  734.826   31.073   22.264   32.088   18.207 0.000000 0.000000 
1 1 1   68    0   11 o   22.099   14.996 -401.9782  808.227 -501.6562  2866.31 -393.3683  842.410   44.084   29.404   22.735   15.395 0.000000 0.000000 
1 1 1   68    0   12 o  141.262   16.639  8656.25  1838.99  7635.27  4173.85  8902.20  2048.54  105.409   46.468  142.225   18.623 0.000000 0.000000 
1 1 1   68    0   13 o  283.047   20.988 34824.99  4762.69 29155.03  8328.64 37580.03  5805.60  225.955   52.161  290.227   25.066 0.000000 0.000000 
1 1 1   68    0   14 o   30.263   19.615   52.641  1142.66 -10477.7402  3764.17  1121.51  1199.25   29.151   21.502   42.347   23.556 0.000000 0.000000 
1 1 1   68    0   15 o   21.005   14.746 -948.6213  962.444  5717.40  3435.06 -1516.4980  1002.60   85.472   41.814   19.162   13.735 0.000000 0.000000 
1 1 1   68    0   16 o   39.730   23.191  981.307  1243.01 -4155.8042  5255.83  1285.66  1279.30   44.491   31.816   43.656   24.313 0.000000 0.000000 
1 1 1   68    0   17 o   46.099   26.410  1553.25  1566.04 20193.56  6357.87  349.266  1615.83  152.444   55.710   35.671   23.196 0.000000 0.000000 
1 1 1   68    2    0 o  202.523   15.402 16895.57  2513.78 16800.02  3451.09 17003.58  3668.95  200.581   21.526  201.461   22.832 -0.8796539 31.37998 
1 1 1   68    2    1 o  405.956   22.593 68403.94  7417.54 76061.12 10386.59 60434.07 10596.53  424.500   30.334  375.682   35.146 48.81818 46.42641 
1 1 1   68    2    2 o  276.441   16.747 31475.73  3741.31 31034.03  5149.07 31969.72  5445.39  272.616   23.491  276.383   24.520 -3.767548 33.95631 
1 1 1   68    2    3 o  264.845   16.002 28878.34  3425.04 28873.41  4708.45 28883.87  4991.40  263.135   22.246  262.735   23.651 0.4004211 32.46901 
1 1 1   68    2    4 o  337.123   18.625 46993.27  5078.47 46553.17  7048.64 47468.34  7323.32  332.564   26.318  335.472   27.117 -2.907837 37.78857 
1 1 1   68    2    5 o  287.747   15.168 34096.91  3531.44 33583.16  4485.03 34935.05  5728.53  284.243   19.552  287.958   24.741 -3.714722 31.53377 
1 1 1   68    2    6 o  217.238   11.474 19358.69  2016.78 19851.40  2789.58 18819.16  2919.13  218.999   15.794  212.865   17.032 6.134171 23.22771 
1 1 1   68    2    7 o   74.019   11.291  2293.28  657.119  1913.29  856.344  2837.48  1024.79   66.771   16.004   81.545   16.049 -14.77316 22.66463 
1 1 1   68    2    8 o   80.185   14.140  2724.63  886.999  2942.15  935.133  773.391  2800.81   83.360   14.333   70.848   29.469 12.51192 32.76966 
1 1 1   68    2    9 o   73.592   11.727  2277.24  677.226  3461.45  895.283  693.341  1035.41   90.937   12.452   48.721   18.681 42.21513 22.45045 
1 1 1   68    2   10 o  274.555   16.650 31499.81  3694.29 30708.62  7638.63 31741.37  4220.73  256.844   37.754  274.407   19.061 -17.56384 42.29330 
1 1 1   68    2   11 o  101.328   11.591  4279.21  936.468  4860.19  1314.07  3679.68  1334.91  107.040   15.576   92.069   18.499 14.97102 24.18295 
1 1 1   68    2   12 o  305.960   13.929 38866.62  3460.29 36217.98  4924.14 41450.55  4863.60  290.637   21.008  312.301   19.274 -21.66455 28.50980 
1 1 1   68    2   13 o  235.230   12.465 22989.53  2372.25 22196.34  3384.40 23755.61  3326.10  228.070   18.433  236.583   17.438 -8.512787 25.37434 
1 1 1   68    2   14 o  131.712   12.183  7261.39  1288.17  6222.77  1790.09  8376.87  1855.15  119.234   19.137  139.812   16.670 -20.57854 25.37984 
1 1 1   68    2   15 o  170.167   12.153 12131.96  1668.09 12083.71  2350.19 12180.95  2367.98  167.059   17.590  167.698   17.656 -0.6384277 24.92265 
1 1 1   68    2   16 o  122.928   13.641  6460.91  1338.58  7483.66  1900.34  5453.74  1885.81  129.800   18.559  108.524   22.151 21.27569 28.89802 
1 1 1   68    2   17 o   79.033   17.933  2858.70  1124.40  2177.83  1583.49  3551.14  1596.89   68.665   23.551   85.915   22.591 -17.25024 32.63446 
1 1 1   68    4    0 o  520.841   27.771 113763.80 11702.29 113594.10 16340.20 113942.60 16767.12  512.150   39.601  512.084   40.660 0.6597900E-01 56.75824 
1 1 1   68    4    1 o  663.506   34.660 187661.41 18608.05 190737.20 26063.46 184463.50 26575.52  653.119   49.516  639.752   51.599 13.36707 71.51424 
1 1 1   68    4    2 o  378.243   21.063 59306.10  6443.11 62572.65  8848.86 55620.00  9399.96  385.319   28.485  361.228   32.393 24.09058 43.13558 
1 1 1   68    4    3 o  269.871   15.838 29987.31  3455.24 28629.61  4615.72 31717.92  5211.17  262.000   21.898  275.304   23.539 -13.30475 32.14928 
1 1 1   68    4    4 o  159.188   12.294 10421.85  1576.76 10971.71  2020.33  9565.05  2521.95  162.765   15.473  150.517   21.224 12.24759 26.26588 
1 1 1   68    4    5 o  312.301   14.800 40060.21  3753.07 40879.20  4716.30 38646.13  6197.25  313.913   18.586  302.366   25.480 11.54715 31.53827 
1 1 1   68    4    6 o  113.088   12.447  5302.63  1123.97  4949.13  1204.49  7684.62  3126.64  108.911   13.940  131.631   29.931 -22.72026 33.01774 
1 1 1   68    4    7 o  169.653   11.182 11836.42  1531.70 12452.33  1929.61 10787.25  2518.43  173.459   13.815  159.711   19.848 13.74818 24.18286 
1 1 1   68    4    8 o  251.250   12.276 25929.71  2504.42 25375.41  3491.38 26517.21  3594.43  246.481   17.560  251.941   17.683 -5.460098 24.92058 
1 1 1   68    4    9 o  213.239   11.447 18720.89  1974.69 17303.20  2742.71 20246.72  2845.39  203.357   16.760  220.350   16.013 -16.99258 23.17975 
1 1 1   68    4   10 o  271.899   12.656 30474.82  2794.19 28293.58  3942.46 32676.37  3960.77  258.987   18.878  279.100   17.567 -20.11353 25.78716 
1 1 1   68    4   11 o  277.081   16.575 32186.74  3711.84 29150.70  7988.87 33022.60  4191.77  244.497   41.740  279.550   18.573 -35.05290 45.68535 
1 1 1   68    4   12 f  176.117   11.945 12863.61  1698.11 13537.04  2395.45 12183.33  2407.58  178.944   16.679  169.227   17.788 9.717026 24.38422 
1 1 1   68    4   13 o  103.105   13.051  4481.17  1068.17  5174.61  1497.19  3762.28  1524.42  109.461   17.430   91.897   20.902 17.56335 27.21530 
1 1 1   68    4   14 o  167.874   11.583 11737.19  1569.15 11040.42  2192.34 12469.08  2246.89  160.441   17.092  170.955   16.388 -10.51343 23.67893 
1 1 1   68    4   15 o  133.452   12.318  7496.06  1319.74  7276.92  1756.78  7779.93  1999.49  129.383   17.145  132.843   19.085 -3.459656 25.65519 
1 1 1   68    4   16 o   68.005   17.529  2085.39  974.058  983.926  1267.02  3677.14  1523.12   53.571   20.634   88.958   21.357 -35.38632 29.69627 
1 1 1   68    4   17 o  152.122   12.833  9907.02  1570.29  7959.44  2088.91 12437.58  2381.11  131.380   20.231  166.719   17.868 -35.33911 26.99193 
1 1 1   68    6    0 o  200.861   24.817 17035.26  3961.36   0.0000   0.0000 17035.26  3961.36  ?   ?   200.861   24.817 0.000000 24.81690 
1 1 1   68    6    3 o  164.490   15.568 11205.47  2054.49 11205.47  2054.49   0.0000   0.0000  164.490   15.568  ?   ?  0.000000 15.56765 
1 1 1   68    6    4 o   24.558   10.030   86.940  316.710  134.778  334.140 -336.0167  993.552   26.081   10.428   37.222   16.510 -11.14164 19.52752 
1 1 1   68    6    5 o  366.485   15.974 55341.27  4753.30 55993.96  5926.75 54164.57  7957.78  366.616   19.985  356.416   27.716 10.20010 34.16969 
1 1 1   68    6    6 o  368.102   15.411 55873.29  4606.12 57433.50  6389.11 54184.80  6646.58  370.029   21.356  358.487   22.955 11.54181 31.35276 
1 1 1   68    6    7 o  162.347   10.576 10833.70  1386.57  9748.87  1860.31 12189.64  2079.81  152.945   15.180  171.198   15.117 -18.25285 21.42374 
1 1 1   68    6    8 o  157.609   11.460 10245.61  1456.57  8400.13  1814.57 13588.97  2442.37  141.499   16.079  180.119   16.897 -38.62054 23.32515 
1 1 1   68    6    9 o  201.168   10.959 16655.77  1783.38 15777.91  2448.48 17647.73  2602.76  194.410   15.643  205.649   15.706 -11.23921 22.16740 
1 1 1   68    6   10 o   93.866   11.969  3684.25  891.497  4504.47  1190.68  2637.81  1344.89  103.283   14.605   77.586   20.886 25.69695 25.48606 
1 1 1   68    6   11 o   45.949   15.014  850.157  644.626  722.444  802.339  1082.71  1082.69   45.632   16.653   54.177   19.403 -8.545300 25.56907 
1 1 1   68    6   12 o  151.392   15.350  9668.22  1860.88  8506.30  5483.60  9819.45  1978.27  128.812   43.829  152.244   16.254 -23.43217 46.74612 
1 1 1   68    6   13 o   81.897   13.098  2853.81  841.614  2943.31  1089.12  2721.14  1325.98   82.113   16.899   78.113   20.608 3.999916 26.65061 
1 1 1   68    6   14 o  165.952   11.232 11464.82  1504.63  9149.93  2047.74 14181.12  2218.19  145.472   17.701  182.912   15.070 -37.43993 23.24699 
1 1 1   68    6   15 f   78.626   14.442  2686.78  888.040  1681.92  1130.73  4304.25  1434.57   62.066   19.852   98.256   18.664 -36.19039 27.24762 
1 1 1   68    6   16 o   79.576   15.047  2789.72  936.614  2330.16  1183.29  3560.63  1532.60   71.186   19.768   87.120   21.737 -15.93396 29.38129 
1 1 1   68    6   17 o  123.648   12.994  6590.04  1285.08  5534.78  1648.51  8224.59  2051.68  109.562   19.232  133.823   19.451 -24.26056 27.35374 
1 1 1   68    8    0 o  373.009   32.604 59665.11  9775.63   0.0000   0.0000 59665.11  9775.63  ?   ?   373.009   32.604 0.000000 32.60415 
1 1 1   68    8    1 o  168.753   23.652 12078.61  3151.85   0.0000   0.0000 12078.61  3151.85  ?   ?   168.753   23.652 0.000000 23.65226 
1 1 1   68    8    2 f  352.030   30.446 52962.63  8617.04   0.0000   0.0000 52962.63  8617.04  ?   ?   352.030   30.446 0.000000 30.44641 
1 1 1   68    8    3 o  116.993   24.168  5926.00  2219.84   0.0000   0.0000  5926.00  2219.84  ?   ?   116.993   24.168 0.000000 24.16782 
1 1 1   68    8    4 o   47.427   19.478  328.548  1202.65   0.0000   0.0000  328.548  1202.65  ?   ?    47.427   19.478 0.000000 19.47843 
1 1 1   68    8    5 o  132.593   11.012  7242.55  1174.85  7756.10  1362.91  5757.30  2317.80  136.989   12.387  114.565   25.565 22.42381 28.40791 
1 1 1   68    8    6 o   35.038   11.253  490.270  363.063  290.185  386.385  1999.17  1061.07   30.722   11.494   68.208   18.632 -37.48604 21.89169 
1 1 1   68    8    7 o  159.393   10.980 10462.42  1412.37 10758.28  1840.84 10039.03  2202.14  160.880   14.239  154.319   17.908 6.561050 22.87875 
1 1 1   68    8    8 o  292.284   13.438 35234.11  3189.19 36455.05  4410.60 33896.31  4616.86  294.712   18.526  283.266   20.206 11.44614 27.41296 
1 1 1   68    8    9 o   90.239   11.120  3393.97  797.563  3476.78  933.321  3169.80  1535.61   90.926   13.013   84.825   22.081 6.100861 25.62976 
1 1 1   68    8   10 o  261.784   12.359 28275.41  2627.13 26060.32  3645.26 30669.35  3789.57  248.416   18.199  270.035   17.376 -21.61911 25.16182 
1 1 1   68    8   11 o  169.728   10.622 11895.86  1456.45 11136.29  1947.59 12859.60  2193.78  162.873   14.892  174.836   15.618 -11.96286 21.57955 
1 1 1   68    8   12 o   77.634   12.749  2560.77  775.759  3597.55  970.877  729.961  1290.16   92.158   13.364   52.169   20.607 39.98919 24.56135 
1 1 1   68    8   13 o  149.354   10.732  9259.93  1292.75  7113.63  1723.17 12023.10  1955.18  128.642   16.906  168.885   14.395 -40.24274 22.20486 
1 1 1   68    8   14 o  214.419   11.931 19194.37  2068.96 16202.86  2832.12 22617.97  3029.76  193.396   18.251  230.122   16.321 -36.72565 24.48408 
1 1 1   68    8   15 o  312.141   14.736 41408.35  3734.90 39035.68  5273.97 43795.45  5289.96  294.207   22.242  313.501   20.901 -19.29483 30.52129 
1 1 1   68    8   16 o   24.722   11.718 -709.3410  629.855 -1325.0370  738.171  939.052  1207.83   23.710   11.587   52.105   20.124 -28.39473 23.22180 
1 1 1   68    8   17 o  108.861   13.673  5173.55  1181.94  5779.70  1495.34  4164.32  1929.50  113.261   16.767   90.303   25.302 22.95802 30.35337 
1 1 1   68   10    0 o  242.272   27.790 25107.96  5367.78   0.0000   0.0000 25107.96  5367.78  ?   ?   242.272   27.790 0.000000 27.78951 
1 1 1   68   10    1 o  178.913   24.845 13669.68  3511.91   0.0000   0.0000 13669.68  3511.91  ?   ?   178.913   24.845 0.000000 24.84538 
1 1 1   68   10    2 o  184.435   23.868 14482.19  3490.57   0.0000   0.0000 14482.19  3490.57  ?   ?   184.435   23.868 0.000000 23.86844 
1 1 1   68   10    3 o  150.163   23.467  9672.03  2767.63   0.0000   0.0000  9672.03  2767.63  ?   ?   150.163   23.467 0.000000 23.46698 
1 1 1   68   10    4 f  301.477   27.837 39127.42  6737.21   0.0000   0.0000 39127.42  6737.21  ?   ?   301.477   27.837 0.000000 27.83688 
1 1 1   68   10    5 o   84.053   22.358  3079.84  1552.45 -49.5652  4049.72  3618.95  1680.86   78.233   34.058   90.932   22.806 -12.69958 40.98840 
1 1 1   68   10    6 o  337.136   22.090 48157.89  6013.51 55066.57  9966.91 44203.38  7540.66  349.402   35.630  317.764   29.565 31.63892 46.29890 
1 1 1   68   10    7 o   45.540   9.3767  879.257  335.174  726.621  353.563  2233.12  1053.00   41.318   10.513   71.769   18.079 -30.45133 20.91334 
1 1 1   68   10    8 o  143.153   9.3310  8423.80  1078.67  8079.97  1322.04  9108.50  1865.62  139.676   11.767  147.234   15.855 -7.558182 19.74456 
1 1 1   68   10    9 o   83.331   9.9183  2887.09  657.910  3177.02  758.162  2003.08  1323.85   87.260   10.941   68.594   21.423 18.66574 24.05520 
1 1 1   68   10   10 o  251.283   13.543 26246.77  2753.08 24549.26  3414.03 29403.20  4655.42  241.091   17.561  261.054   22.173 -19.96263 28.28446 
1 1 1   68   10   11 o  119.930   10.209  5958.18  984.723  5901.66  1201.73  6073.69  1717.96  118.726   12.661  118.544   18.448 0.1826859 22.37510 
1 1 1   68   10   12 o  137.140   10.563  7802.07  1167.12  7237.62  1481.58  8725.21  1894.71  130.941   14.161  142.926   16.638 -11.98497 21.84825 
1 1 1   68   10   13 o  114.503   18.634  5746.73  1672.88 17084.05  5768.72  4705.79  1747.99  180.036   40.449  102.089   21.753 77.94682 45.92739 
1 1 1   68   10   14 o   51.907   14.744  1171.65  650.549  835.484  751.186  2180.16  1301.11   46.320   16.202   69.654   21.148 -23.33421 26.64104 
1 1 1   68   10   15 o  142.748   10.834  8547.76  1246.34  7375.21  1559.04 10624.06  2074.61  130.637   14.968  156.014   16.634 -25.37611 22.37656 
1 1 1   68   10   16 o   45.557   14.929  878.893  637.157  764.425  713.548  1329.27  1415.37   44.183   15.759   58.006   21.936 -13.82293 27.00964 
1 1 1   68   12    0 o  418.835   37.222 78226.14 12526.61   0.0000   0.0000 78226.14 12526.61  ?   ?   418.835   37.222 0.000000 37.22226 
1 1 1   68   12    1 o  103.863   28.069  4771.65  2423.44   0.0000   0.0000  4771.65  2423.44  ?   ?   103.863   28.069 0.000000 28.06896 
1 1 1   68   12    2 o   36.000   16.977 -1401.6990  1291.27   0.0000   0.0000 -1401.6990  1291.27  ?   ?    36.000   16.977 0.000000 16.97737 
1 1 1   68   12    3 o  412.516   35.740 76106.67 11852.78   0.0000   0.0000 76106.67 11852.78  ?   ?   412.516   35.740 0.000000 35.73999 
1 1 1   68   12    4 o   48.970   20.761  118.035  1431.67   0.0000   0.0000  118.035  1431.67  ?   ?    48.970   20.761 0.000000 20.76126 
1 1 1   68   12    5 o  248.727   21.240 26251.64  4248.51 25348.20  7701.92 26646.77  5093.54  230.258   42.770  248.206   25.643 -17.94778 49.86804 
1 1 1   68   12    6 o  119.554   21.604  6211.92  2020.00  909.436  4531.40  7526.95  2256.62   85.722   36.656  131.795   21.853 -46.07365 42.67556 
1 1 1   68   12    7 o  251.482   20.554 26891.87  4160.29 28595.93  7555.36 26150.37  4983.92  245.853   39.162  245.097   25.413 0.7555542 46.68457 
1 1 1   68   12    8 o  149.340   17.432  9458.58  2073.96 17879.33  5427.80  8018.97  2244.25  195.217   35.553  136.042   20.993 59.17537 41.28769 
1 1 1   68   12    9 o  197.076   16.711 16379.10  2648.85 23316.66  6605.39 15049.66  2891.54  219.985   38.376  187.719   19.243 32.26622 42.92986 
1 1 1   68   12   10 o   95.453   8.6357  3763.54  662.059  3455.11  744.250  4933.18  1449.31   91.100   10.239  107.034   17.264 -15.93373 20.07171 
1 1 1   68   12   11 o   90.340   9.3541  3388.64  676.206  3542.59  754.077  2756.60  1527.91   92.191   10.247   78.524   22.688 13.66684 24.89513 
1 1 1   68   12   12 o  200.790   10.689 16710.44  1736.41 14449.89  2238.90 20122.58  2750.67  184.804   15.051  217.920   15.650 -33.11613 21.71296 
1 1 1   68   12   13 o  113.245   9.4627  5327.43  862.135  4281.93  998.549  8388.98  1708.76  100.556   12.500  140.044   15.275 -39.48761 19.73729 
1 1 1   68   12   14 o  102.814   10.179  4428.79  838.566  4281.78  966.628  4875.95  1685.88  100.446   12.095  103.333   20.813 -2.887512 24.07209 
1 1 1   68   12   15 o   51.168   13.189  1153.20  551.431  872.739  598.642  2723.88  1416.69   45.296   14.440   75.956   21.818 -30.65979 26.16389 
1 1 1   68   12   16 o   89.063   10.887  3389.20  770.919  3086.00  862.234  4597.48  1721.27   84.033   13.061   97.273   22.273 -13.23997 25.81999 
1 1 1   68   14    0 o  207.452   30.296 19090.44  4952.62   0.0000   0.0000 19090.44  4952.62  ?   ?   207.452   30.296 0.000000 30.29551 
1 1 1   68   14    1 f   87.187   28.813  3217.49  2371.43   0.0000   0.0000  3217.49  2371.43  ?   ?    87.187   28.813 0.000000 28.81256 
1 1 1   68   14    2 o  102.431   28.045  4698.49  2400.77   0.0000   0.0000  4698.49  2400.77  ?   ?   102.431   28.045 0.000000 28.04453 
1 1 1   68   14    3 o  186.266   25.717 15141.06  3785.71   0.0000   0.0000 15141.06  3785.71  ?   ?   186.266   25.717 0.000000 25.71671 
1 1 1   68   14    4 o  253.303   27.212 28089.17  5509.06   0.0000   0.0000 28089.17  5509.06  ?   ?   253.303   27.212 0.000000 27.21204 
1 1 1   68   14    5 o  283.916   28.514 35584.17  6484.58   0.0000   0.0000 35584.17  6484.58  ?   ?   283.916   28.514 0.000000 28.51431 
1 1 1   68   14    6 o  314.564   23.713 42702.58  6012.17 41283.41 10212.81 43455.24  7437.49  288.670   45.042  312.213   29.696 -23.54315 53.95065 
1 1 1   68   14    7 o  182.038   20.113 14198.86  2923.20 18857.26  6241.02 12889.65  3308.57  196.204   40.517  171.227   24.495 24.97681 47.34595 
1 1 1   68   14    8 f  334.871   24.190 48882.23  6533.12 50461.18 11218.70 48072.01  8036.36  315.631   45.053  325.327   30.789 -9.695831 54.56910 
1 1 1   68   14    9 o  184.849   17.745 14548.88  2630.67 22466.67  6977.41 13236.88  2840.28  210.319   42.323  174.966   20.374 35.35313 46.97205 
1 1 1   68   14   10 o  223.772   17.978 21376.23  3238.98 26480.36  8688.82 20552.49  3490.57  217.009   50.294  218.191   19.922 -1.181854 54.09592 
1 1 1   68   14   11 o  166.190   21.985 12225.43  2893.86  8337.92  7148.62 12987.36  3164.77  123.115   48.547  170.397   23.499 -47.28210 53.93505 
1 1 1   68   14   12 o   70.585   22.674  2206.49  1473.91  5367.12  6116.40  2011.64  1518.66  106.099   43.791   68.308   23.066 37.79117 49.49483 
1 1 1   68   14   13 o   83.435   21.099  3201.56  1430.31 -3666.1790  6805.95  3518.89  1462.98   78.404   37.539   87.598   20.867 -9.194252 42.94836 
1 1 1   68   14   14 f   41.333   18.365 -239.8295  1234.48 -1508.0470  7038.54 -199.5797  1253.91   81.406   38.755   41.970   18.585 39.43597 42.98055 
1 1 1   68   14   15 o  108.134   9.3233  4906.76  810.597  4271.21  917.075  7176.84  1733.21   99.981   11.507  126.403   17.344 -26.42243 20.81405 
1 1 1   68   16    0 o  239.322   31.193 25826.07  5917.43   0.0000   0.0000 25826.07  5917.43  ?   ?   239.322   31.193 0.000000 31.19336 
1 1 1   68   16    1 o  217.479   29.316 21133.86  5044.83   0.0000   0.0000 21133.86  5044.83  ?   ?   217.479   29.316 0.000000 29.31567 
1 1 1   68   16    2 o  227.615   27.535 22903.76  4985.44   0.0000   0.0000 22903.76  4985.44  ?   ?   227.615   27.535 0.000000 27.53507 
1 1 1   68   16    3 o  293.884   30.377 38718.25  7144.07   0.0000   0.0000 38718.25  7144.07  ?   ?   293.884   30.377 0.000000 30.37700 
1 1 1   68   16    4 o  313.569   31.339 44431.18  7872.38   0.0000   0.0000 44431.18  7872.38  ?   ?   313.569   31.339 0.000000 31.33938 
1 1 1   68   16    5 o   97.974   28.183  4367.08  2362.33   0.0000   0.0000  4367.08  2362.33  ?   ?    97.974   28.183 0.000000 28.18348 
1 1 1   68   16    6 o   59.977   23.791  971.096  1726.44  3399.17  4880.92  623.875  1845.76   98.333   39.663   58.357   24.068 39.97602 46.39434 
1 1 1   68   16    7 o  304.799   24.176 40679.30  5934.21 42042.77 10561.46 40050.27  7173.65  283.004   47.655  296.524   30.217 -13.51950 56.42726 
1 1 1   68   16    8 o  176.654   22.382 13690.73  3138.42 14766.57  7080.25 13427.65  3501.17  161.574   49.393  172.944   25.715 -11.37054 55.68629 
1 1 1   68   16    9 o  252.445   22.551 27970.31  4573.81 35732.68  9243.97 25453.91  5263.22  258.831   45.654  236.101   28.000 22.73019 53.55625 
1 1 1   68   16   10 o   36.010   16.321 -507.1332  1029.74 -2117.6299  5677.56 -452.3539  1047.10   78.603   36.590   36.792   16.586 41.81060 40.17396 
1 1 1   68   16   11 o   36.032   16.750 -930.9818  1183.40 10419.81  6190.34 -1361.5350  1205.63  131.807   46.481   33.977   16.136 97.82970 49.20172 
1 1 1   68   16   12 o   69.255   23.978  2092.39  1643.29 -11163.1504  7081.75  2846.76  1689.40   67.293   33.440   78.303   24.159 -11.01009 41.25407 
1 1 1   68   16   13 o  117.138   23.485  6478.05  2155.96  7595.05  8505.29  6401.35  2228.75  108.115   48.113  115.736   24.481 -7.620644 53.98360 
1 1 1   68   16   14 o   73.043   23.714  2560.78  1609.07 -6091.0020  8548.99  2878.53  1638.35   76.309   37.710   76.918   23.801 -0.6097031 44.59260 
1 1 1   68   16   15 o   80.438   24.255  3295.70  1715.76 -5716.3198  9684.32  3587.74  1743.34   76.017   37.985   83.872   24.236 -7.854271 45.05804 
1 1 1   68   18    0 o  246.988   33.336 28360.60  6514.61   0.0000   0.0000 28360.60  6514.61  ?   ?   246.988   33.336 0.000000 33.33609 
1 1 1   68   18    1 o   36.948   17.735 -2094.7949  1540.28   0.0000   0.0000 -2094.7949  1540.28  ?   ?    36.948   17.735 0.000000 17.73462 
1 1 1   68   18    2 o  167.538   30.267 12913.94  3965.90   0.0000   0.0000 12913.94  3965.90  ?   ?   167.538   30.267 0.000000 30.26743 
1 1 1   68   18    3 o  146.509   27.896  9777.24  3197.28   0.0000   0.0000  9777.24  3197.28  ?   ?   146.509   27.896 0.000000 27.89579 
1 1 1   68   18    4 o  261.445   30.158 31182.84  6284.75   0.0000   0.0000 31182.84  6284.75  ?   ?   261.445   30.158 0.000000 30.15837 
1 1 1   68   18    5 o  131.821   29.569  8103.33  3086.99   0.0000   0.0000  8103.33  3086.99  ?   ?   131.821   29.569 0.000000 29.56934 
1 1 1   68   18    6 o  265.231   24.539 31107.75  5224.87 29814.43 10026.58 31589.86  6121.74  224.781   55.312  263.003   29.157 -38.22194 62.52678 
1 1 1   68   18    7 o  146.588   25.654  9756.10  2942.26  6090.05  7142.80 10505.27  3228.92  115.074   47.390  151.220   27.302 -36.14561 54.69176 
1 1 1   68   18    8 o   56.654   22.572  878.303  1560.28  1897.19  6101.50  807.013  1613.94   94.257   41.398   56.604   22.816 37.65273 47.26889 
1 1 1   68   18    9 o  177.958   24.356 14332.68  3426.91 15663.21  8352.55 14063.37  3757.75  153.400   54.002  173.884   27.532 -20.48412 60.61588 
1 1 1   68   18   10 f  104.079   20.625  4883.64  1681.40 -10361.9600  7431.13  5706.27  1726.17   71.267   35.207  113.281   19.468 -42.01473 40.23077 
1 1 1   68   18   11 o  139.970   20.412  8794.30  2251.58 19401.99  8790.15  8049.44  2329.29  159.296   55.439  132.535   22.446 26.76051 59.81102 
1 1 1   68   18   12 f  125.851   22.620  7392.36  2226.50  9135.85  9182.33  7283.44  2294.99  111.816   49.859  124.187   23.623 -12.37157 55.17180 
1 1 1   68   18   13 o   56.649   23.666  815.325  1817.69   65.860  9043.96  846.874  1855.56   86.869   42.014   57.249   23.914 29.61977 48.34288 
1 1 1   68   18   14 o  141.918   23.575  9899.73  2621.32 12739.28 11169.79  9734.23  2696.63  102.654   48.856  139.552   24.702 -36.89772 54.74635 
1 1 1   68   20    0 o   89.309   32.379  3454.02  3026.11   0.0000   0.0000  3454.02  3026.11  ?   ?    89.309   32.379 0.000000 32.37888 
1 1 1   68   20    1 o  107.702   34.673  5608.85  3445.17   0.0000   0.0000  5608.85  3445.17  ?   ?   107.702   34.673 0.000000 34.67317 
1 1 1   68   20    2 o   81.849   30.889  2634.83  2802.98   0.0000   0.0000  2634.83  2802.98  ?   ?    81.849   30.889 0.000000 30.88908 
1 1 1   68   20    3 o   67.510   27.613  1128.89  2404.45   0.0000   0.0000  1128.89  2404.45  ?   ?    67.510   27.613 0.000000 27.61262 
1 1 1   68   20    4 o  112.751   32.169  6153.66  3089.75   0.0000   0.0000  6153.66  3089.75  ?   ?   112.751   32.169 0.000000 32.16888 
1 1 1   68   20    5 o   49.534   22.599 -972.2881  2015.81   0.0000   0.0000 -972.2881  2015.81  ?   ?    49.534   22.599 0.000000 22.59869 
1 1 1   68   20    6 o   39.892   19.032 -2025.7531  1716.68 -4650.4502  5042.79 -1681.7111  1825.73   67.455   32.301   43.132   20.294 24.32278 38.14694 
1 1 1   68   20    7 o  251.215   25.710 28723.15  5170.47 39545.02 10787.34 25495.46  5891.29  254.079   53.955  229.536   32.519 24.54294 62.99751 
1 1 1   68   20    8 o   64.680   25.959  1264.01  2079.43  185.292  7349.30  1357.89  2168.02   91.747   42.332   66.187   26.527 25.56029 49.95679 
1 1 1   68   20    9 o   72.946   27.491  2172.70  2218.19  7142.14  7971.04  1755.56  2309.42  112.229   48.318   69.979   27.593 42.25069 55.64160 
1 1 1   68   20   10 o  169.959   20.744 13012.06  2803.32 14660.12 10161.76 12876.30  2916.50  130.329   55.286  168.166   21.877 -37.83727 59.45726 
1 1 1   68   20   11 o  111.920   23.902  6000.16  2106.05  5202.81  9801.18  6038.76  2156.42  100.827   47.306  111.920   24.416 -11.09323 53.23501 
1 1 1   68   20   12 o   82.565   30.276  3526.20  2656.56 -1797.7220 10157.81  3917.07  2752.35   85.428   42.001   85.828   30.915 -0.4003677 52.15218 
1 1 1   68   20   13 o   62.155   27.069  948.304  2560.13 -2646.7810 10717.31  1165.86  2636.46   81.021   40.403   63.918   27.652 17.10306 48.95958 
1 1 1   68   22    0 o   76.637   32.733  1214.89  3605.90   0.0000   0.0000  1214.89  3605.90  ?   ?    76.637   32.733 0.000000 32.73316 
1 1 1   68   22    1 o  174.161   37.548 15579.20  5153.48   0.0000   0.0000 15579.20  5153.48  ?   ?   174.161   37.548 0.000000 37.54807 
1 1 1   68   22    2 o   62.574   27.609 -84.2476  2742.56   0.0000   0.0000 -84.2476  2742.56  ?   ?    62.574   27.609 0.000000 27.60861 
1 1 1   68   22    3 o   59.600   26.352 -179.7759  2511.69   0.0000   0.0000 -179.7759  2511.69  ?   ?    59.600   26.352 0.000000 26.35228 
1 1 1   68   22    4 o  170.532   31.765 14156.99  4236.49   0.0000   0.0000 14156.99  4236.49  ?   ?   170.532   31.765 0.000000 31.76458 
1 1 1   68   22    5 o   74.011   29.691  1855.87  2718.97   0.0000   0.0000  1855.87  2718.97  ?   ?    74.011   29.691 0.000000 29.69092 
1 1 1   68   22    6 o  145.147   33.926 10751.02  3926.60   0.0000   0.0000 10751.02  3926.60  ?   ?   145.147   33.926 0.000000 33.92631 
1 1 1   68   22    7 o   64.213   25.703  1315.21  2032.74 -3217.3669  8588.98  1584.15  2092.18   87.172   41.851   66.932   26.304 20.24033 49.43106 
1 1 1   68   22    8 o  165.023   32.623 13936.08  4216.28   0.0000   0.0000 13936.08  4216.28  ?   ?   165.023   32.623 0.000000 32.62273 
1 1 1   68   22    9 o   66.110   25.602  1704.80  1959.00 -6507.8481  9377.40  2079.57  2003.20   81.388   40.081   69.809   26.160 11.57852 47.86248 
1 1 1   68   22   10 o  114.987   32.141  7233.59  3117.36 10325.95 10974.14  6962.15  3251.30  107.992   50.471  111.504   33.336 -3.512459 60.48655 
1 1 1   68   22   11 o   92.064   31.877  4795.50  2904.27  4294.87 11347.15  4830.59  3004.35   92.808   45.372   92.024   32.388 0.7846603 55.74591 
1 1 1   68   22   12 o   76.498   31.025  3061.34  3004.12   0.0000   0.0000  3061.34  3004.12  ?   ?    76.498   31.025 0.000000 31.02520 
1 1 1   68   24    2 o  246.571   39.466 32814.84  7634.93   0.0000   0.0000 32814.84  7634.93  ?   ?   246.571   39.466 0.000000 39.46615 
1 1 1   68   24    3 o  117.222   37.069  7523.07  3951.14   0.0000   0.0000  7523.07  3951.14  ?   ?   117.222   37.069 0.000000 37.06863 
1 1 1   68   24    4 o  121.460   37.020  8136.52  3981.43   0.0000   0.0000  8136.52  3981.43  ?   ?   121.460   37.020 0.000000 37.02038 
1 1 1   68   24    5 o   49.292   23.324 -2101.4351  2474.29   0.0000   0.0000 -2101.4351  2474.29  ?   ?    49.292   23.324 0.000000 23.32360 
1 1 1   68   24    6 o  121.560   36.576  8322.80  3904.76   0.0000   0.0000  8322.80  3904.76  ?   ?   121.560   36.576 0.000000 36.57586 
1 1 1   68   24    7 o   97.100   33.470  5109.30  3200.03  7771.44  9354.96  4756.52  3405.47  106.484   48.621   94.020   34.308 12.46420 59.50673 
1 1 1   68   24    8 o  107.719   34.101  6615.23  3343.19 -337.5614 11807.35  7221.22  3485.84   91.630   45.096  111.980   34.728 -20.35043 56.91814 
1 1 1   68   24    9 o  177.118   33.402 17425.76  4627.54 20627.44 13819.02 17021.39  4911.08  115.089   54.649  170.184   36.625 -55.09567 65.78667 
1 1 1   68   24   10 o  127.231   36.170 10190.98  3913.45   0.0000   0.0000 10190.98  3913.45  ?   ?   127.231   36.170 0.000000 36.17042 
1 1 1   68   24   11 o   77.786   31.097  3457.54  2971.15   0.0000   0.0000  3457.54  2971.15  ?   ?    77.786   31.097 0.000000 31.09667 
1 1 1   68   26    0 o  121.594   45.139 10289.44  5936.50   0.0000   0.0000 10289.44  5936.50  ?   ?   121.594   45.139 0.000000 45.13883 
1 1 1   68   26    4 o  185.617   39.370 20216.14  5749.74   0.0000   0.0000 20216.14  5749.74  ?   ?   185.617   39.370 0.000000 39.36999 
1 1 1   68   26    5 o  169.232   38.905 17067.35  5234.13   0.0000   0.0000 17067.35  5234.13  ?   ?   169.232   38.905 0.000000 38.90504 
1 1 1   68   26    6 o   50.116   23.994 -2445.4131  2779.72   0.0000   0.0000 -2445.4131  2779.72  ?   ?    50.116   23.994 0.000000 23.99362 
1 1 1   68   26    7 o   70.872   30.774  1703.90  3289.31   0.0000   0.0000  1703.90  3289.31  ?   ?    70.872   30.774 0.000000 30.77353 
1 1 1   68   26    8 o   60.828   27.632  209.962  2972.67   0.0000   0.0000  209.962  2972.67  ?   ?    60.828   27.632 0.000000 27.63171 
1 1 1   68   26    9 o   50.598   24.006 -1476.7800  2655.85   0.0000   0.0000 -1476.7800  2655.85  ?   ?    50.598   24.006 0.000000 24.00590 
1 1 1   68   28    0 o  128.714   48.211 14778.91  6802.04   0.0000   0.0000 14778.91  6802.04  ?   ?   128.714   48.211 0.000000 48.21149 
1 1 1   68   28    1 o   86.861   37.706  4295.00  4935.58   0.0000   0.0000  4295.00  4935.58  ?   ?    86.861   37.706 0.000000 37.70619 
1 1 1   68   28    2 o   71.198   31.486  1534.33  3587.07   0.0000   0.0000  1534.33  3587.07  ?   ?    71.198   31.486 0.000000 31.48563 
1 1 1   68   28    6 o   71.835   31.074  2390.54  3328.49   0.0000   0.0000  2390.54  3328.49  ?   ?    71.835   31.074 0.000000 31.07393 
1 1 1   68   28    7 o   79.487   33.049  4017.15  3520.50   0.0000   0.0000  4017.15  3520.50  ?   ?    79.487   33.049 0.000000 33.04886 
1 1 1   68   30    0 o   82.171   39.285  5550.77  7393.87   0.0000   0.0000  5550.77  7393.87  ?   ?    82.171   39.285 0.000000 39.28452 
1 1 1   68   30    1 o   99.807   43.425 11229.13  6576.11   0.0000   0.0000 11229.13  6576.11  ?   ?    99.807   43.425 0.000000 43.42507 
1 1 1   68   30    2 o   78.298   36.180  4016.47  5397.52   0.0000   0.0000  4016.47  5397.52  ?   ?    78.298   36.180 0.000000 36.17973 
1 1 1   68   30    3 o   70.058   33.796  845.466  5759.03   0.0000   0.0000  845.466  5759.03  ?   ?    70.058   33.796 0.000000 33.79562 
1 1 1   68   30    4 o   48.455   24.091 -5007.0781  3693.94   0.0000   0.0000 -5007.0781  3693.94  ?   ?    48.455   24.091 0.000000 24.09089 
1 1 1   69    1    0 o  182.691   15.110 13765.10  2221.34 12625.40  3111.47 14949.80  3172.31  173.190   22.670  189.125   21.013 -15.93437 30.91115 
1 1 1   69    1    1 o   95.791   14.594  3840.96  1099.23  4087.87  1518.44  3569.07  1593.38   97.875   19.787   91.104   21.826 6.771118 29.46045 
1 1 1   69    1    2 o  227.413   15.227 21291.83  2795.36 19956.38  3866.81 22753.74  4045.75  218.442   22.105  233.540   21.579 -15.09785 30.89202 
1 1 1   69    1    3 o  259.547   15.927 27757.32  3340.36 28264.53  4662.47 27222.42  4788.00  260.110   22.291  254.873   23.397 5.237610 32.31635 
1 1 1   69    1    4 o  174.403   12.889 12514.96  1812.23 12741.07  2502.13 12265.49  2628.27  174.927   17.867  171.258   19.233 3.668396 26.25178 
1 1 1   69    1    5 o  203.890   11.987 17068.35  1975.70 17633.96  2578.32 16263.88  3074.94  206.490   15.491  197.204   19.457 9.285141 24.87068 
1 1 1   69    1    6 o  276.867   13.439 31473.75  3021.19 31838.40  4232.56 31094.97  4313.80  276.325   18.980  272.826   19.604 3.498566 27.28615 
1 1 1   69    1    7 o  246.316   12.403 24961.85  2472.56 24541.38  3475.42 25392.79  3518.44  242.550   17.771  246.776   17.676 -4.226120 25.06490 
1 1 1   69    1    8 o  112.505   13.775  5289.77  1232.08  5575.21  1314.96  3237.10  3526.27  115.409   14.342   93.123   34.746 22.28565 37.58915 
1 1 1   69    1    9 o  258.898   12.808 27602.55  2692.47 26938.79  3798.91 28272.52  3816.61  253.168   18.611  259.569   18.224 -6.401245 26.04774 
1 1 1   69    1   10 o  122.527   10.600  6205.76  1044.21  5015.57  1464.43  7436.83  1489.37  108.385   17.216  133.406   13.956 -25.02076 22.16217 
1 1 1   69    1   11 f   63.789   14.745  1755.79  748.437  356.586  1029.61  3323.55  1089.86   44.434   18.110   88.058   15.824 -43.62353 24.04935 
1 1 1   69    1   12 o  119.170   11.875  5918.83  1133.78  6647.05  1613.30  5208.21  1593.69  125.019   16.279  109.670   18.559 15.34868 24.68680 
1 1 1   69    1   13 o   50.249   16.741  1019.33  799.978  1130.47  1144.55  913.171  1118.57   55.165   19.926   52.092   19.543 3.072895 27.91044 
1 1 1   69    1   14 o  106.336   12.754  4772.11  1079.19  4653.32  1506.48  4897.32  1546.71  102.839   18.731  105.565   18.731 -2.725342 26.48975 
1 1 1   69    1   15 o  114.754   13.148  5588.19  1202.98  4500.68  1691.28  6701.79  1711.45   99.318   21.589  123.880   17.502 -24.56178 27.79199 
1 1 1   69    1   16 o   40.348   16.660  288.412  885.685 -1559.7750  1325.06  1780.97  1190.77   34.916   16.675   63.239   20.387 -28.32252 26.33842 
1 1 1   69    1   17 o   60.423   19.344  1654.66  1073.44  3465.27  1572.20   73.547  1469.18   84.666   22.489   46.897   20.462 37.76893 30.40525 
1 1 1   69    3    0 o  193.102   15.238 15375.56  2369.83 15610.05  3209.10 15094.30  3514.60  193.322   20.769  189.372   23.352 3.950562 31.25186 
1 1 1   69    3    1 o  292.903   17.660 35405.57  4180.43 33959.18  5728.14 37053.84  6114.83  284.507   25.052  297.069   25.601 -12.56210 35.81861 
1 1 1   69    3    2 o  116.588   12.693  5621.11  1182.22  5937.73  1512.58  5124.04  1895.20  119.244   16.028  109.325   22.110 9.919991 27.30832 
1 1 1   69    3    3 o  142.275   12.553  8340.44  1435.24  8918.45  1852.70  7473.00  2269.65  146.550   15.821  132.596   21.842 13.95381 26.96937 
1 1 1   69    3    4 o  104.783   11.610  4541.84  971.161  5703.06  1234.82  2658.84  1572.43  117.285   13.196   79.054   23.067 38.23044 26.57488 
1 1 1   69    3    5 o  357.883   16.577 52815.97  4817.06 52866.54  6061.23 52729.28  7936.40  355.788   21.075  351.605   28.032 4.182983 35.07070 
1 1 1   69    3    6 o  185.979   11.431 14212.95  1717.87 14085.37  2187.71 14418.12  2774.36  184.409   14.734  185.497   18.674 -1.087692 23.78640 
1 1 1   69    3    7 o  104.033   13.170  4517.37  1087.58  4537.14  1160.62  4374.94  3114.83  104.058   14.100  100.737   33.008 3.321129 35.89359 
1 1 1   69    3    8 o  281.698   13.119 32664.06  3000.63 32485.47  4203.05 32849.69  4285.21  278.392   18.702  279.828   18.972 -1.435150 26.64063 
1 1 1   69    3    9 o  217.003   11.647 19402.43  2044.63 18780.82  2850.52 20061.14  2934.38  211.855   16.707  219.028   16.624 -7.173584 23.56819 
1 1 1   69    3   10 o  168.330   11.293 11698.47  1534.52 11786.25  2155.90 11608.34  2184.65  167.564   16.042  166.160   16.407 1.404022 22.94605 
1 1 1   69    3   11 o   74.705   13.552  2378.71  791.740  2039.54  1103.87  2738.03  1136.21   68.481   19.120   79.228   18.063 -10.74704 26.30345 
1 1 1   69    3   12 o   89.020   12.978  3348.08  910.470  2725.32  1252.94  4044.86  1325.30   78.588   19.679   96.661   17.532 -18.07287 26.35565 
1 1 1   69    3   13 o   74.835   15.301  2427.22  898.347  1603.67  1230.36  3367.61  1314.74   62.159   20.763   87.329   19.075 -25.17004 28.19501 
1 1 1   69    3   14 o  181.871   11.915 13795.89  1749.87 14125.10  2488.60 13473.93  2461.01  181.544   17.083  177.144   17.332 4.400650 24.33594 
1 1 1   69    3   15 o   39.588   16.317  262.695  847.753  1751.60  1164.08 -1418.7010  1237.05   63.237   20.134   34.205   16.273 29.03240 25.88795 
1 1 1   69    3   16 o  137.053   12.915  7995.33  1420.26  7135.04  1937.97  8993.46  2087.47  125.746   19.621  142.142   18.527 -16.39605 26.98617 
1 1 1   69    3   17 o  158.591   13.074 10801.13  1668.48 10512.97  2264.62 11143.27  2467.61  152.258   18.712  155.702   19.979 -3.444794 27.37338 
1 1 1   69    5    0 o  180.796   10.549 13379.60  1541.89 13222.22  1723.01 14012.35  3454.79  179.528   11.887  182.073   23.950 -2.545486 26.73783 
1 1 1   69    5    1 o  214.418   14.846 18934.76  2568.84 19744.71  3327.58 17740.07  4041.35  218.010   18.988  204.898   24.796 13.11230 31.23095 
1 1 1   69    5    2 o  178.727   12.899 13134.18  1859.33 12359.10  2350.00 14431.52  3040.35  172.532   16.996  185.686   20.508 -13.15419 26.63475 
1 1 1   69    5    3 o  342.491   19.352 48649.29  5359.53 50556.02  7239.40 46336.80  7972.57  346.295   25.935  329.323   30.150 16.97159 39.76968 
1 1 1   69    5    4 f  214.352   18.371 19128.56  3166.59 19128.56  3166.59   0.0000   0.0000  214.352   18.371  ?   ?  0.000000 18.37144 
1 1 1   69    5    5 o  451.357   20.240 84782.21  7417.73 82835.70  9243.22 88303.66 12432.38  442.080   25.863  449.415   34.329 -7.335144 42.98143 
1 1 1   69    5    6 o  159.684   10.699 10479.27  1379.22 11063.01  1833.54  9718.50  2093.18  163.415   13.952  152.263   17.234 11.15195 22.17386 
1 1 1   69    5    7 o  169.495   11.077 11821.48  1516.04 11603.16  2046.45 12087.03  2256.98  166.915   15.269  170.018   16.559 -3.102539 22.52443 
1 1 1   69    5    8 o   35.093   12.814  412.218  475.158  483.586  564.622  239.003  879.628   38.091   13.959   40.526   16.653 -2.435070 21.72963 
1 1 1   69    5    9 o  116.541   10.688  5617.45  1000.15  5484.87  1362.67  5772.29  1472.58  114.115   15.076  116.877   15.932 -2.762436 21.93414 
1 1 1   69    5   10 o  135.737   11.087  7622.42  1211.23  8565.75  1669.03  6572.83  1760.52  143.017   14.576  124.044   18.005 18.97292 23.16608 
1 1 1   69    5   11 o   67.370   14.250  1952.82  755.176  845.444  1070.47  3049.96  1065.51   50.875   19.112   84.121   16.187 -33.24598 25.04584 
1 1 1   69    5   12 f  173.398   11.372 12458.56  1592.18 11432.74  2209.57 13566.47  2296.29  164.109   16.820  179.276   15.941 -15.16760 23.17370 
1 1 1   69    5   13 o  126.555   11.774  6687.21  1195.99  4786.23  1622.24  8950.75  1770.20  104.120   19.914  145.332   15.227 -41.21117 25.06873 
1 1 1   69    5   14 o  125.797   11.623  6624.30  1173.81  5914.31  1567.74  7530.11  1770.78  116.807   17.031  132.102   16.896 -15.29444 23.99002 
1 1 1   69    5   15 o   53.103   16.754  1208.56  807.453 -542.7441  1050.67  3735.15  1261.98   35.948   16.367   91.761   17.578 -55.81305 24.01806 
1 1 1   69    5   16 o   84.334   14.859  3123.30  980.288  3536.26  1211.04  2338.48  1669.51   88.717   17.433   71.311   24.184 17.40614 29.81271 
1 1 1   69    5   17 o  153.869   12.654 10156.09  1566.89  9509.87  2048.05 11068.25  2433.23  145.236   17.736  155.003   19.784 -9.767273 26.57016 
1 1 1   69    7    0 o  211.361   25.909 18968.85  4353.38   0.0000   0.0000 18968.85  4353.38  ?   ?   211.361   25.909 0.000000 25.90919 
1 1 1   69    7    1 o   60.973   22.676  1208.93  1499.58   0.0000   0.0000  1208.93  1499.58  ?   ?    60.973   22.676 0.000000 22.67634 
1 1 1   69    7    2 o  218.188   24.121 20122.13  4201.90   0.0000   0.0000 20122.13  4201.90  ?   ?   218.188   24.121 0.000000 24.12131 
1 1 1   69    7    3 o  191.517   22.616 15504.02  3448.98   0.0000   0.0000 15504.02  3448.98  ?   ?   191.517   22.616 0.000000 22.61557 
1 1 1   69    7    4 o  240.410   14.458 23845.14  2809.12 22317.25  3628.71 26130.17  4437.65  231.029   19.527  249.106   22.171 -18.07701 29.54448 
1 1 1   69    7    5 o  187.820   11.326 14496.34  1719.13 13174.15  2091.24 17252.33  3019.23  178.300   14.572  203.031   18.518 -24.73050 23.56430 
1 1 1   69    7    6 o  156.204   10.360 10027.85  1306.47  9119.76  1668.91 11465.13  2099.62  148.159   14.040  165.808   15.786 -17.64879 21.12658 
1 1 1   69    7    7 o  223.502   11.638 20558.08  2104.66 19087.38  2845.15 22335.49  3127.77  213.866   16.512  231.349   16.764 -17.48256 23.53061 
1 1 1   69    7    8 o  314.165   14.472 40818.08  3691.62 41819.79  5132.21 39744.13  5314.02  314.707   20.191  305.967   21.527 8.740173 29.51426 
1 1 1   69    7    9 o   43.033   13.598  755.807  531.796  1060.78  607.785 -240.1833  1098.36   49.996   14.269   39.921   17.548 10.07531 22.61698 
1 1 1   69    7   10 o   79.789   11.793  2677.10  740.987  2417.50  909.989  3187.97  1276.53   74.905   15.474   85.426   18.904 -10.52054 24.42948 
1 1 1   69    7   11 o   68.558   12.789  2004.88  685.734  1672.51  858.794  2589.60  1139.07   62.089   16.680   76.844   18.482 -14.75459 24.89559 
1 1 1   69    7   12 o   69.689   19.796  2133.97  1172.73  1515.52  4313.46  2183.33  1218.63   84.616   35.962   70.468   20.234 14.14813 41.26394 
1 1 1   69    7   13 o   65.057   13.636  1829.45  697.292  1503.04  841.996  2541.97  1244.01   58.791   16.800   75.476   19.984 -16.68501 26.10741 
1 1 1   69    7   14 o  136.938   11.186  7833.27  1232.87  6960.37  1596.00  9124.87  1941.39  127.263   15.784  145.466   16.742 -18.20333 23.00930 
1 1 1   69    7   15 o  113.074   12.460  5424.53  1124.97  5617.49  1443.95  5126.52  1794.47  113.518   16.119  105.580   21.659 7.937828 26.99833 
1 1 1   69    7   16 o   48.485   16.429  979.607  770.481  1164.67  922.172  551.727  1402.20   52.558   17.973   50.310   20.882 2.248623 27.55199 
1 1 1   69    7   17 o  107.628   13.889  5073.31  1185.46  5313.95  1461.44  4610.35  2027.05  108.186   17.214   94.661   25.708 13.52450 30.93895 
1 1 1   69    9    0 o  141.344   27.049  8688.11  2991.25   0.0000   0.0000  8688.11  2991.25  ?   ?   141.344   27.049 0.000000 27.04909 
1 1 1   69    9    1 f  294.913   28.492 37223.58  6737.62   0.0000   0.0000 37223.58  6737.62  ?   ?   294.913   28.492 0.000000 28.49161 
1 1 1   69    9    2 f  147.372   24.659  9354.63  2846.50   0.0000   0.0000  9354.63  2846.50  ?   ?   147.372   24.659 0.000000 24.65918 
1 1 1   69    9    3 o  206.174   23.847 18092.49  3918.48   0.0000   0.0000 18092.49  3918.48  ?   ?   206.174   23.847 0.000000 23.84709 
1 1 1   69    9    4 o  387.063   33.174 65814.28 10325.35   0.0000   0.0000 65814.28 10325.35  ?   ?   387.063   33.174 0.000000 33.17435 
1 1 1   69    9    5 o  151.987   19.643  9795.15  2367.33  8633.90  4717.58 10185.99  2736.87  135.850   40.045  154.040   22.550 -18.18977 45.95759 
1 1 1   69    9    6 o   59.439   9.5016  1480.23  443.126  1628.48  469.898  289.267  1331.84   62.394   9.5815   48.905   20.330 13.48823 22.47477 
1 1 1   69    9    7 o   41.267   11.211  721.901  385.411  925.497  415.509 -532.6774  1031.44   46.571   11.138   36.223   16.383 10.34784 19.81094 
1 1 1   69    9    8 o  204.410   11.545 17233.13  1908.31 17825.23  2528.84 16450.02  2908.27  206.746   15.170  197.354   18.360 9.391891 23.81605 
1 1 1   69    9    9 o   36.885   12.442  525.180  441.841  407.837  491.700  1017.35  1007.00   35.259   13.010   52.527   18.723 -17.26783 22.79930 
1 1 1   69    9   10 o   56.227   13.105  1359.88  587.231  1859.18  666.049 -383.1512  1244.45   65.958   12.899   41.403   18.416 24.55512 22.48358 
1 1 1   69    9   11 o  122.417   10.384  6210.37  1022.46  5705.65  1283.27  7087.79  1691.98  116.368   13.854  128.950   16.541 -12.58173 21.57629 
1 1 1   69    9   12 o   60.948   13.049  1601.14  626.299  1071.90  736.383  2985.01  1190.77   50.649   16.001   82.298   18.294 -31.64825 24.30451 
1 1 1   69    9   13 o   56.587   20.477  1216.84  1209.45 -118.6353  5055.96  1297.89  1245.61   80.764   36.424   57.931   20.805 22.83298 41.94693 
1 1 1   69    9   14 o  190.694   11.341 15185.06  1748.07 12180.37  2339.16 18985.50  2630.74  167.533   17.452  210.863   15.473 -43.33026 23.32360 
1 1 1   69    9   15 o  228.571   12.937 22118.43  2391.12 19397.69  3251.83 25321.17  3528.14  208.748   19.407  239.857   18.253 -31.10860 26.64227 
1 1 1   69    9   16 o   71.830   14.584  2293.51  821.566  1876.08  967.728  3370.84  1554.67   63.961   17.918   83.582   22.437 -19.62127 28.71386 
1 1 1   69   11    0 o  544.451   46.917 138477.09 20538.58   0.0000   0.0000 138477.09 20538.58  ?   ?   544.451   46.917 0.000000 46.91750 
1 1 1   69   11    1 o  457.563   39.313 94375.37 14463.91   0.0000   0.0000 94375.37 14463.91  ?   ?   457.563   39.313 0.000000 39.31284 
1 1 1   69   11    2 o  201.628   24.979 17455.41  4001.83   0.0000   0.0000 17455.41  4001.83  ?   ?   201.628   24.979 0.000000 24.97856 
1 1 1   69   11    3 o  375.111   33.092 62154.18  9975.86   0.0000   0.0000 62154.18  9975.86  ?   ?   375.111   33.092 0.000000 33.09227 
1 1 1   69   11    4 o  211.735   24.592 19292.34  4149.13   0.0000   0.0000 19292.34  4149.13  ?   ?   211.735   24.592 0.000000 24.59184 
1 1 1   69   11    5 o   89.577   23.289  3532.03  1709.64  5272.22  4105.62  3166.98  1880.43  109.687   37.905   85.205   25.325 24.48128 45.58630 
1 1 1   69   11    6 o  254.588   20.514 27472.64  4204.67 30098.77  7531.82 26283.68  5067.89  254.816   37.526  246.054   25.748 8.762100 45.51017 
1 1 1   69   11    7 f  108.726   21.399  5166.79  1821.88  6417.58  4448.93  4914.77  1997.01  117.535   39.481  105.224   23.916 12.31139 46.15959 
1 1 1   69   11    8 o  252.570   10.067 26174.50  2064.45 21766.36  2673.69 32682.82  3248.76  228.610   14.479  280.379   14.318 -51.76851 20.36262 
1 1 1   69   11    9 o   57.975   9.1908  1410.61  418.213  1633.62  450.089   1.3606  1131.42   62.497   9.1397   42.576   18.264 19.92124 20.42327 
1 1 1   69   11   10 o  198.651   11.095 16316.89  1782.45 15375.27  2314.07 17690.60  2795.01  191.378   15.012  204.444   16.991 -13.06551 22.67304 
1 1 1   69   11   11 o  127.024   9.9537  6680.28  1018.40  6282.49  1221.72  7586.10  1843.60  122.484   12.458  132.882   17.514 -10.39751 21.49237 
1 1 1   69   11   12 o   86.401   10.103  3119.32  695.406  2992.31  788.761  3562.60  1473.57   84.147   11.874   89.067   20.760 -4.920303 23.91571 
1 1 1   69   11   13 o   99.570   10.208  4142.04  813.655  3373.84  947.323  6302.61  1588.72   88.761   13.576  120.606   16.669 -31.84490 21.49781 
1 1 1   69   11   14 o   24.087   10.538 -74.7921  392.065 -46.4679  412.765 -336.1228  1253.77   25.164   10.914   41.180   18.388 -16.01617 21.38318 
1 1 1   69   11   15 o   74.987   12.298  2428.32  722.823  2347.37  816.312  2722.25  1555.50   72.992   14.285   75.697   23.153 -2.705322 27.20536 
1 1 1   69   11   16 o   89.345   12.055  3446.07  852.216  3386.30  970.214  3647.90  1783.01   87.627   14.116   85.151   24.482 2.476646 28.26009 
1 1 1   69   13    0 o  229.683   29.112 23166.46  5307.45   0.0000   0.0000 23166.46  5307.45  ?   ?   229.683   29.112 0.000000 29.11234 
1 1 1   69   13    1 o  156.296   27.744 10797.22  3391.91   0.0000   0.0000 10797.22  3391.91  ?   ?   156.296   27.744 0.000000 27.74371 
1 1 1   69   13    2 o  221.919   27.132 21484.82  4787.13   0.0000   0.0000 21484.82  4787.13  ?   ?   221.919   27.132 0.000000 27.13208 
1 1 1   69   13    3 o   43.871   19.716 -619.8304  1466.25   0.0000   0.0000 -619.8304  1466.25  ?   ?    43.871   19.716 0.000000 19.71617 
1 1 1   69   13    4 o  209.563   25.561 19118.52  4259.22   0.0000   0.0000 19118.52  4259.22  ?   ?   209.563   25.561 0.000000 25.56061 
1 1 1   69   13    5 o  267.524   27.560 31426.63  5900.92   0.0000   0.0000 31426.63  5900.92  ?   ?   267.524   27.560 0.000000 27.56006 
1 1 1   69   13    6 o   50.785   20.777  461.892  1361.74 -4162.5000  4661.22  893.401  1423.86   67.824   32.068   55.957   21.783 11.86667 38.76666 
1 1 1   69   13    7 o   34.000   16.020 -1203.3090  1145.26  793.803  3953.39 -1386.2620  1196.57   79.874   34.199   34.016   16.131 45.85836 37.81257 
1 1 1   69   13    8 o  149.584   21.207  9716.78  2503.67  8772.04  5776.92  9935.27  2778.14  131.302   44.985  150.191   23.556 -18.88820 50.77880 
1 1 1   69   13    9 o  138.822   19.174  8318.11  2103.57 13691.34  6622.16  7715.08  2218.47  158.452   47.622  132.711   21.309 25.74069 52.17188 
1 1 1   69   13   10 o  130.471   18.173  7346.02  1872.92   34.130  6054.85  8119.65  1969.51   88.904   40.000  137.299   18.108 -48.39503 43.90756 
1 1 1   69   13   11 o  162.416   10.601 10940.49  1390.36  9828.05  1593.40 14489.99  2846.23  153.103   12.939  182.749   19.482 -29.64645 23.38672 
1 1 1   69   13   12 o   63.801   9.5699  1714.61  480.471  1264.89  508.518  5457.43  1467.01   54.135   11.894  112.205   16.603 -58.06987 20.42382 
1 1 1   69   13   13 o  116.546   9.5499  5653.82  895.787  5469.78  1020.38  6272.39  1870.67  114.111   11.156  118.134   20.230 -4.023582 23.10172 
1 1 1   69   13   14 o   71.370   9.7548  2152.83  550.494  1890.58  590.974  3872.78  1513.44   66.335   11.382   91.331   20.865 -24.99634 23.76772 
1 1 1   69   13   15 o  145.807   10.500  8959.42  1234.78  7926.01  1466.70 11474.30  2288.05  135.480   13.513  159.823   17.941 -24.34283 22.46104 
1 1 1   69   15    0 o  470.923   44.581 107999.10 16843.70   0.0000   0.0000 107999.10 16843.70  ?   ?   470.923   44.581 0.000000 44.58105 
1 1 1   69   15    1 f  304.108   31.901 41606.69  7759.85   0.0000   0.0000 41606.69  7759.85  ?   ?   304.108   31.901 0.000000 31.90096 
1 1 1   69   15    2 o  265.002   29.240 31204.31  6186.94   0.0000   0.0000 31204.31  6186.94  ?   ?   265.002   29.240 0.000000 29.24026 
1 1 1   69   15    3 o  211.100   27.109 19681.38  4539.25   0.0000   0.0000 19681.38  4539.25  ?   ?   211.100   27.109 0.000000 27.10883 
1 1 1   69   15    4 f  276.639   29.172 34112.91  6453.85   0.0000   0.0000 34112.91  6453.85  ?   ?   276.639   29.172 0.000000 29.17197 
1 1 1   69   15    5 o  412.358   38.080 80367.13 12605.86   0.0000   0.0000 80367.13 12605.86  ?   ?   412.358   38.080 0.000000 38.07967 
1 1 1   69   15    6 f  157.433   23.025 10856.90  2856.30  9125.11  6282.37 11308.16  3206.92  133.344   46.843  159.391   25.649 -26.04697 53.40522 
1 1 1   69   15    7 o  144.681   23.219  9237.83  2635.42  4949.73  6135.67 10207.92  2918.33  110.322   44.480  151.549   24.556 -41.22790 50.80844 
1 1 1   69   15    8 f  134.721   23.263  8067.97  2452.73 13111.54  6151.85  7114.71  2674.49  155.990   45.657  124.449   27.225 31.54136 53.15815 
1 1 1   69   15    9 o  111.203   24.815  5640.67  2183.78  4037.16  6117.69  5874.83  2337.79  104.024   43.435  112.998   26.018 -8.973244 50.63109 
1 1 1   69   15   10 f  131.183   19.488  7533.76  2012.71 16183.29  6887.51  6726.16  2104.58  167.061   48.143  122.672   21.934 44.38869 52.90382 
1 1 1   69   15   11 o   90.936   22.320  3783.76  1635.84 -1523.5220  6760.08  4113.87  1685.95   85.348   39.796   94.890   22.265 -9.542023 45.60078 
1 1 1   69   15   12 o  103.263   24.178  5001.93  1991.46  1914.78  8345.17  5188.35  2050.71   97.722   45.096  105.041   24.495 -7.318848 51.31913 
1 1 1   69   15   13 o   65.949   24.131  1826.95  1686.42  1554.07  7532.33  1841.35  1730.35   91.113   42.324   66.334   24.418 24.77892 48.86260 
1 1 1   69   15   14 o   62.609   23.129  1661.04  1554.94 10297.27  8332.33  1349.43  1582.74  111.030   48.580   59.524   23.024 51.50662 53.75982 
1 1 1   69   15   15 o   46.526   20.358  104.406  1463.42 11338.21  9111.92 -193.0319  1482.67  104.237   47.741   44.644   19.961 59.59256 51.74654 
1 1 1   69   17    0 o  305.535   34.855 43556.28  8492.32   0.0000   0.0000 43556.28  8492.32  ?   ?   305.535   34.855 0.000000 34.85539 
1 1 1   69   17    1 o  123.226   32.527  7162.12  3302.19   0.0000   0.0000  7162.12  3302.19  ?   ?   123.226   32.527 0.000000 32.52683 
1 1 1   69   17    2 o  287.465   31.655 37740.49  7266.18   0.0000   0.0000 37740.49  7266.18  ?   ?   287.465   31.655 0.000000 31.65489 
1 1 1   69   17    3 o  272.833   30.484 33813.22  6637.77   0.0000   0.0000 33813.22  6637.77  ?   ?   272.833   30.484 0.000000 30.48418 
1 1 1   69   17    4 o  119.506   29.763  6648.91  2877.11   0.0000   0.0000  6648.91  2877.11  ?   ?   119.506   29.763 0.000000 29.76276 
1 1 1   69   17    5 o  108.965   29.488  5536.42  2672.57   0.0000   0.0000  5536.42  2672.57  ?   ?   108.965   29.488 0.000000 29.48848 
1 1 1   69   17    6 o  209.697   23.584 19350.82  3945.85 23472.76  8181.15 18101.29  4504.40  206.449   49.455  199.206   28.674 7.243256 57.16671 
1 1 1   69   17    7 o   52.137   22.364  117.277  1696.24 -936.1690  5587.10  224.233  1780.26   82.847   37.730   54.068   23.044 28.77871 44.21045 
1 1 1   69   17    8 o  135.465   25.390  8369.36  2690.07  8588.64  7059.47  8332.11  2909.60  125.261   48.576  133.832   27.689 -8.570564 55.91281 
1 1 1   69   17    9 o  126.058   26.122  7372.16  2585.86 -6280.1792  7230.27  9374.53  2769.00   78.215   37.765  143.471   24.658 -65.25610 45.10222 
1 1 1   69   17   10 o   46.464   19.581  248.371  1261.40  9749.26  6843.82 -85.7339  1283.39  126.507   48.140   43.908   19.142 82.59913 51.80649 
1 1 1   69   17   11 o   66.988   24.072  1876.55  1667.85 -11281.2100  7536.13  2554.20  1710.26   69.712   34.617   74.849   24.456 -5.137352 42.38414 
1 1 1   69   17   12 o   77.085   25.434  2798.80  1848.10  6878.55  8254.23  2583.49  1896.24  106.744   47.456   74.789   25.765 31.95522 53.99907 
1 1 1   69   17   13 o   63.231   23.552  1681.12  1618.81  3236.78  8816.43  1626.85  1646.80   93.339   44.123   62.819   23.684 30.51979 50.07748 
1 1 1   69   17   14 o   81.588   23.760  3338.14  1669.76  1499.76  9954.35  3391.37  1693.76   86.667   42.396   82.131   23.934 4.536240 48.68517 
1 1 1   69   19    0 o   46.416   22.336 -3266.7471  2478.87   0.0000   0.0000 -3266.7471  2478.87  ?   ?    46.416   22.336 0.000000 22.33550 
1 1 1   69   19    1 o   72.334   29.595  1342.55  2763.25   0.0000   0.0000  1342.55  2763.25  ?   ?    72.334   29.595 0.000000 29.59524 
1 1 1   69   19    2 o  176.700   31.851 14703.06  4401.65   0.0000   0.0000 14703.06  4401.65  ?   ?   176.700   31.851 0.000000 31.85062 
1 1 1   69   19    3 o  123.478   32.000  7317.44  3234.52   0.0000   0.0000  7317.44  3234.52  ?   ?   123.478   32.000 0.000000 31.99950 
1 1 1   69   19    4 o  198.661   30.215 18343.49  4720.20   0.0000   0.0000 18343.49  4720.20  ?   ?   198.661   30.215 0.000000 30.21464 
1 1 1   69   19    5 f  140.328   31.009  9386.10  3439.05   0.0000   0.0000  9386.10  3439.05  ?   ?   140.328   31.009 0.000000 31.00862 
1 1 1   69   19    6 o  110.353   29.009  5785.66  2633.62  8932.67  6254.04  5107.30  2903.63  126.898   46.465  103.043   31.653 23.85577 56.22192 
1 1 1   69   19    7 o  302.535   26.753 41748.22  6504.03 45525.56 12446.62 40329.32  7628.42  265.631   59.219  289.272   33.072 -23.64063 67.82788 
1 1 1   69   19    8 o   80.230   28.042  2860.28  2250.00  7128.31  7366.88  2421.19  2362.90  115.324   47.866   76.635   28.472 38.68900 55.69431 
1 1 1   69   19    9 o  112.771   27.377  6111.16  2481.58 17654.54  8301.90  4978.53  2600.48  158.521   53.929  100.621   29.752 57.90023 61.59105 
1 1 1   69   19   10 o   47.270   20.320  133.659  1405.60  530.093  8008.57  121.059  1427.76   91.978   43.028   47.487   20.447 44.49067 47.63935 
1 1 1   69   19   11 o  129.804   23.864  7963.60  2422.47 11983.55  8576.14  7615.06  2525.30  121.734   51.167  125.515   25.645 -3.780983 57.23416 
1 1 1   69   19   12 o   97.608   29.250  5027.45  2500.90 12689.68 10152.13  4532.43  2580.42  113.487   51.358   92.353   30.033 21.13454 59.49476 
1 1 1   69   19   13 o   71.397   25.186  2499.38  1817.74  1170.90 10641.29  2539.31  1844.85   86.689   42.692   71.844   25.370 14.84549 49.66171 
1 1 1   69   21    0 o   47.948   23.233 -3935.2859  2798.24   0.0000   0.0000 -3935.2859  2798.24  ?   ?    47.948   23.233 0.000000 23.23328 
1 1 1   69   21    1 o   68.201   29.467  484.960  2986.00   0.0000   0.0000  484.960  2986.00  ?   ?    68.201   29.467 0.000000 29.46699 
1 1 1   69   21    2 o  175.256   34.657 15177.38  4757.00   0.0000   0.0000 15177.38  4757.00  ?   ?   175.256   34.657 0.000000 34.65679 
1 1 1   69   21    3 o   70.799   28.982  1377.40  2651.75   0.0000   0.0000  1377.40  2651.75  ?   ?    70.799   28.982 0.000000 28.98242 
1 1 1   69   21    4 o  100.443   33.020  4917.25  3116.07   0.0000   0.0000  4917.25  3116.07  ?   ?   100.443   33.020 0.000000 33.01991 
1 1 1   69   21    5 f   97.828   32.515  4652.72  3018.46   0.0000   0.0000  4652.72  3018.46  ?   ?    97.828   32.515 0.000000 32.51495 
1 1 1   69   21    6 o   94.333   32.103  4303.49  2941.87   0.0000   0.0000  4303.49  2941.87  ?   ?    94.333   32.103 0.000000 32.10269 
1 1 1   69   21    7 o  112.727   29.443  6252.99  2724.35  2537.11  8969.77  6630.61  2859.43  101.478   46.803  115.687   30.139 -14.20898 55.66729 
1 1 1   69   21    8 o   70.788   28.006  1830.93  2386.35  4794.63  8722.30  1591.14  2481.01  104.566   47.435   69.599   28.206 34.96722 55.18789 
1 1 1   69   21    9 o   51.421   22.679 -81.2107  1848.80 12937.22  9011.85 -653.1934  1888.97  125.988   52.671   48.476   22.023 77.51244 57.08957 
1 1 1   69   21   10 o  171.272   29.309 14814.20  3929.44 18338.86 11625.71 14359.61  4175.15  127.735   56.576  165.164   32.290 -37.42896 65.14186 
1 1 1   69   21   11 o   88.964   26.254  4044.28  2026.74  4612.72 10975.10  4024.21  2062.21   95.111   46.068   88.566   26.565 6.544273 53.17863 
1 1 1   69   21   12 f   38.754   19.100 -3648.4629  2143.25 10660.25 10865.55 -4227.7261  2186.20   98.716   47.308   37.759   18.732 60.95760 50.88161 
1 1 1   69   23    0 o   93.003   37.293  3854.89  4287.57   0.0000   0.0000  3854.89  4287.57  ?   ?    93.003   37.293 0.000000 37.29332 
1 1 1   69   23    1 o  112.691   39.046  6913.18  4357.98   0.0000   0.0000  6913.18  4357.98  ?   ?   112.691   39.046 0.000000 39.04627 
1 1 1   69   23    2 o  175.601   35.775 15927.67  4927.63   0.0000   0.0000 15927.67  4927.63  ?   ?   175.601   35.775 0.000000 35.77461 
1 1 1   69   23    3 o   94.785   34.381  4412.15  3412.52   0.0000   0.0000  4412.15  3412.52  ?   ?    94.785   34.381 0.000000 34.38103 
1 1 1   69   23    4 o   95.655   34.303  4569.44  3385.09   0.0000   0.0000  4569.44  3385.09  ?   ?    95.655   34.303 0.000000 34.30267 
1 1 1   69   23    5 o  106.769   35.200  6058.54  3540.23   0.0000   0.0000  6058.54  3540.23  ?   ?   106.769   35.200 0.000000 35.20022 
1 1 1   69   23    6 o   57.022   25.814 -570.9609  2567.21   0.0000   0.0000 -570.9609  2567.21  ?   ?    57.022   25.814 0.000000 25.81376 
1 1 1   69   23    7 o   61.311   26.853  339.410  2551.44  682.585  9972.05  315.371  2639.29   94.602   45.332   61.961   27.220 32.64087 52.87645 
1 1 1   69   23    8 o   94.256   32.494  4763.36  3016.24  397.983 11009.06  5117.63  3136.24   93.457   45.469   96.965   33.146 -3.507736 56.26747 
1 1 1   69   23    9 o  186.109   31.767 18437.16  4628.07 29971.46 13433.58 16883.77  4929.88  140.287   61.525  171.284   36.560 -30.99684 71.56775 
1 1 1   69   23   10 o  101.504   32.882  6056.05  3094.77 -12642.0801 12377.09  7303.02  3196.30   76.979   39.018  111.840   32.960 -34.86088 51.07631 
1 1 1   69   23   11 o   77.354   30.649  3248.28  2862.05   0.0000   0.0000  3248.28  2862.05  ?   ?    77.354   30.649 0.000000 30.64911 
1 1 1   69   25    1 o   72.620   31.417  1239.96  3403.02   0.0000   0.0000  1239.96  3403.02  ?   ?    72.620   31.417 0.000000 31.41658 
1 1 1   69   25    2 o   84.522   34.830  3059.36  3861.26   0.0000   0.0000  3059.36  3861.26  ?   ?    84.522   34.830 0.000000 34.82952 
1 1 1   69   25    3 o  172.669   40.689 17447.78  5611.19   0.0000   0.0000 17447.78  5611.19  ?   ?   172.669   40.689 0.000000 40.68931 
1 1 1   69   25    4 o  216.007   40.627 27083.59  6864.08   0.0000   0.0000 27083.59  6864.08  ?   ?   216.007   40.627 0.000000 40.62722 
1 1 1   69   25    5 o  145.111   39.860 12742.71  4840.62   0.0000   0.0000 12742.71  4840.62  ?   ?   145.111   39.860 0.000000 39.86008 
1 1 1   69   25    6 o   61.242   27.783 -207.2354  2992.41   0.0000   0.0000 -207.2354  2992.41  ?   ?    61.242   27.783 0.000000 27.78270 
1 1 1   69   25    7 o   51.121   23.563 -814.8344  2268.52   0.0000   0.0000 -814.8344  2268.52  ?   ?    51.121   23.563 0.000000 23.56336 
1 1 1   69   25    8 o   53.716   25.042 -1031.7610  2674.68   0.0000   0.0000 -1031.7610  2674.68  ?   ?    53.716   25.042 0.000000 25.04174 
1 1 1   69   25    9 o   50.728   23.914 -1334.8280  2557.82   0.0000   0.0000 -1334.8280  2557.82  ?   ?    50.728   23.914 0.000000 23.91419 
1 1 1   69   27    4 o  108.494   40.381  8343.76  4757.20   0.0000   0.0000  8343.76  4757.20  ?   ?   108.494   40.381 0.000000 40.38134 
1 1 1   69   27    5 f  113.755   40.979  9538.58  4836.24   0.0000   0.0000  9538.58  4836.24  ?   ?   113.755   40.979 0.000000 40.97923 
1 1 1   69   27    6 o   90.359   36.670  5461.63  4199.63   0.0000   0.0000  5461.63  4199.63  ?   ?    90.359   36.670 0.000000 36.67012 
1 1 1   69   27    7 o   91.625   36.847  6042.35  4198.84   0.0000   0.0000  6042.35  4198.84  ?   ?    91.625   36.847 0.000000 36.84721 
1 1 1   69   27    8 o   68.233   30.564  1819.86  3492.58   0.0000   0.0000  1819.86  3492.58  ?   ?    68.233   30.564 0.000000 30.56356 
1 1 1   69   29    0 o   87.403   39.684  6038.11  6121.75   0.0000   0.0000  6038.11  6121.75  ?   ?    87.403   39.684 0.000000 39.68413 
1 1 1   69   29    1 o   86.798   38.114  5557.95  5169.57   0.0000   0.0000  5557.95  5169.57  ?   ?    86.798   38.114 0.000000 38.11393 
1 1 1   69   29    2 f   98.130   41.572  8793.84  5733.65   0.0000   0.0000  8793.84  5733.65  ?   ?    98.130   41.572 0.000000 41.57232 
1 1 1   69   31    0 o   51.127   26.066 -12045.9902  6141.58   0.0000   0.0000 -12045.9902  6141.58  ?   ?    51.127   26.066 0.000000 26.06569 
1 1 1   69   31    1 o   77.728   37.016  6417.01  6432.32   0.0000   0.0000  6417.01  6432.32  ?   ?    77.728   37.016 0.000000 37.01579 
1 1 1   69   31    2 o   60.054   30.079 -3664.6350  6238.59   0.0000   0.0000 -3664.6350  6238.59  ?   ?    60.054   30.079 0.000000 30.07880 
1 1 1   70    0    0 o   67.769   27.785  2643.83  1509.02   0.0000   0.0000  2643.83  1509.02   67.769   27.785   67.769   27.785 0.000000 0.000000 
1 1 1   70    0    1 o  156.950   21.701 10674.50  2614.78   0.0000   0.0000 10674.50  2614.78  156.950   21.701  156.950   21.701 0.000000 0.000000 
1 1 1   70    0    2 o   99.006   23.329  4631.06  1629.01   0.0000   0.0000  4631.06  1629.01   99.006   23.329   99.006   23.329 0.000000 0.000000 
1 1 1   70    0    3 o   29.627   18.051  322.048  817.189   0.0000   0.0000  322.048  817.189   29.627   18.051   29.627   18.051 0.000000 0.000000 
1 1 1   70    0    4 o  173.104   19.244 12770.43  2619.37   0.0000   0.0000 12770.43  2619.37  173.104   19.244  173.104   19.244 0.000000 0.000000 
1 1 1   70    0    5 o  145.099   18.163  9055.96  2049.13   0.0000   0.0000  9055.96  2049.13  145.099   18.163  145.099   18.163 0.000000 0.000000 
1 1 1   70    0    6 o  164.607   16.210 11459.79  2118.36  8465.45  4651.12 12243.50  2379.49  116.476   48.914  169.657   17.715 0.000000 0.000000 
1 1 1   70    0    7 o  222.075   18.581 20839.66  3296.56 11397.40  6356.08 24314.22  3855.68  130.345   57.341  239.439   20.161 0.000000 0.000000 
1 1 1   70    0    8 f   33.913   19.014  649.926  788.568 -2940.2820  2693.06  986.621  824.716   34.288   24.192   40.117   20.322 0.000000 0.000000 
1 1 1   70    0    9 o   50.970   32.226  776.919  2856.14  776.919  2856.14   0.0000   0.0000   50.970   32.226   50.970   32.226 0.000000 0.000000 
1 1 1   70    0   10 o  169.117   16.432 12204.67  2207.53 11412.47  4942.58 12402.08  2467.29  137.237   48.712  169.448   18.492 0.000000 0.000000 
1 1 1   70    0   11 o  268.479   19.761 30880.66  4254.14 28722.33  7900.69 31761.92  5048.48  234.301   46.795  269.490   23.482 0.000000 0.000000 
1 1 1   70    0   12 o  384.859   24.928 65273.97  7714.89 63699.61 12812.05 66169.56  9663.23  346.884   48.135  378.130   32.001 0.000000 0.000000 
1 1 1   70    0   13 o  207.208   18.718 18686.98  3090.15 17249.13  6582.23 19093.47  3499.81  158.863   56.138  207.495   21.286 0.000000 0.000000 
1 1 1   70    0   14 o   47.946   24.363  1516.21  1187.45  1584.76  4087.21  1509.89  1240.98   57.546   37.223   47.745   24.754 0.000000 0.000000 
1 1 1   70    0   15 o   26.217   17.930 -591.9161  1204.06  526.990  4593.66 -674.4603  1247.69   53.474   36.135   26.306   18.060 0.000000 0.000000 
1 1 1   70    0   16 o   66.469   27.788  2906.70  1502.22 -365.2825  5990.31  3126.28  1551.81   52.783   36.997   69.411   28.128 0.000000 0.000000 
1 1 1   70    0   17 o   34.273   22.713  151.805  1664.41  4671.31  6393.55 -176.7492  1723.85   60.349   41.286   32.876   22.191 0.000000 0.000000 
1 1 1   70    2    0 o  209.503   15.712 18109.69  2653.22 16457.44  3651.25 19958.23  3862.06  197.772   23.177  218.357   22.087 -20.58507 32.01522 
1 1 1   70    2    1 o  433.248   23.955 78369.27  8394.15 84741.40 11754.93 71738.83 11990.82  445.342   32.737  406.999   36.678 38.34229 49.16324 
1 1 1   70    2    2 o  311.162   18.024 40026.55  4534.35 35685.06  6256.62 44829.51  6580.74  290.563   26.822  326.731   24.995 -36.16791 36.66284 
1 1 1   70    2    3 o  374.048   20.745 58184.79  6275.76 60595.08  8724.85 55600.80  9033.75  377.734   28.660  360.298   31.187 17.43524 42.35612 
1 1 1   70    2    4 o  205.223   13.897 17356.78  2302.00 18575.54  3132.08 15924.99  3394.79  211.174   18.452  194.381   21.890 16.79350 28.62934 
1 1 1   70    2    5 o  134.409   11.171  7440.41  1208.06  6242.19  1546.89  9313.78  1934.20  122.051   15.994  149.429   16.201 -27.37823 22.76576 
1 1 1   70    2    6 f  178.463   10.476 13071.75  1511.37 14062.87  2071.29 11943.15  2210.28  184.380   13.938  169.238   16.286 15.14220 21.43589 
1 1 1   70    2    7 o  135.270   12.568  7580.69  1364.58  7252.60  1463.55  9763.44  3774.94  131.996   13.863  146.764   32.532 -14.76807 35.36232 
1 1 1   70    2    8 o   85.488   11.115  3046.45  753.303  3110.46  1001.46  2963.03  1143.22   85.550   14.962   82.884   17.535 2.665894 23.05038 
1 1 1   70    2    9 o  255.967   12.584 26988.86  2615.37 25957.79  3673.54 28048.64  3724.35  248.414   18.342  258.506   17.853 -10.09178 25.59626 
1 1 1   70    2   10 o  228.245   16.623 21850.76  3059.54 18045.57  6777.83 22824.55  3428.74  189.435   44.773  232.518   18.309 -43.08295 48.37194 
1 1 1   70    2   11 o  151.256   11.226  9470.08  1368.82 10704.17  1947.77  8265.83  1924.07  159.633   15.211  139.363   17.381 20.27020 23.09731 
1 1 1   70    2   12 o  167.240   11.186 11584.96  1510.25 10328.01  2144.40 12822.00  2127.34  155.732   17.248  174.578   15.158 -18.84601 22.96227 
1 1 1   70    2   13 o  112.269   12.269  5286.94  1100.25  4515.75  1584.49  6005.03  1528.97  101.030   20.023  118.357   16.346 -17.32741 25.84787 
1 1 1   70    2   14 o  130.925   12.615  7207.70  1324.43  3987.50  1837.70 10687.94  1910.46   92.889   24.143  158.611   15.013 -65.72209 28.43024 
1 1 1   70    2   15 o   94.789   15.620  3914.47  1160.34  4857.04  1684.27  3062.96  1600.85  103.420   20.778   81.190   23.152 22.23056 31.10883 
1 1 1   70    2   16 o   95.908   15.755  4051.59  1184.26  3821.95  1679.71  4278.56  1669.92   89.578   22.981   95.396   22.007 -5.818260 31.81901 
1 1 1   70    2   17 o   57.585   18.872  1489.04  1018.19  746.009  1405.51  2309.61  1477.04   51.635   21.115   69.577   22.727 -17.94171 31.02146 
1 1 1   70    4    0 f  436.355   17.657 78407.87  6255.88 74519.58  7451.12 87696.23 11516.26  423.336   21.750  453.634   31.460 -30.29749 38.24678 
1 1 1   70    4    1 o  324.845   19.005 43704.96  4991.05 43888.32  6798.08 43490.54  7351.13  322.709   26.169  320.118   28.582 2.590515 38.75286 
1 1 1   70    4    2 o   74.842   13.192  2359.67  772.372  2389.20  918.557  2288.39  1426.98   74.911   15.608   73.748   22.093 1.162857 27.05031 
1 1 1   70    4    3 o   96.169   11.981  3840.23  915.230  2873.97  1088.66  6169.12  1690.14   82.066   16.901  121.060   17.719 -38.99480 24.48636 
1 1 1   70    4    4 o  162.889   12.332 10927.33  1618.96 10540.00  2068.83 11539.26  2600.39  159.125   16.240  165.645   19.722 -6.519775 25.54748 
1 1 1   70    4    5 o  362.509   22.159 55225.65  6491.03 55225.65  6491.03   0.0000   0.0000  362.509   22.159  ?   ?  0.000000 22.15884 
1 1 1   70    4    6 o  184.720   11.430 14034.54  1705.85 13674.84  2300.39 14473.97  2542.63  181.265   15.787  186.166   17.009 -4.900940 23.20627 
1 1 1   70    4    7 o  191.512   12.287 15127.75  1900.60 14489.95  2405.44 16187.57  3100.75  186.381   16.051  195.769   19.778 -9.387756 25.47178 
1 1 1   70    4    8 o  222.831   12.255 20479.53  2208.76 18688.99  3051.91 22448.94  3200.72  210.919   17.992  231.639   17.139 -20.71899 24.84922 
1 1 1   70    4    9 o   55.359   14.608  1314.78  666.180  1094.24  881.550  1608.41  1017.18   52.517   17.575   61.634   18.696 -9.117241 25.65928 
1 1 1   70    4   10 o  201.685   11.948 16816.73  1947.82 17590.63  2729.54 16013.69  2780.45  204.622   16.571  194.678   17.786 9.943359 24.30932 
1 1 1   70    4   11 o  267.068   17.066 30044.49  3681.42 35547.55  8226.75 28666.56  4116.60  272.352   38.256  259.298   19.700 13.05399 43.03058 
1 1 1   70    4   12 o  297.815   14.120 36947.39  3414.49 37338.61  4875.98 36570.94  4783.01  294.673   20.507  291.766   20.316 2.907410 28.86670 
1 1 1   70    4   13 o   82.577   14.450  2930.17  933.578  1958.52  1344.26  3835.45  1297.54   67.401   21.654   93.668   17.709 -26.26633 27.97375 
1 1 1   70    4   14 o  116.507   12.834  5731.81  1193.99  4972.58  1676.70  6512.94  1700.69  105.457   20.318  122.324   17.632 -16.86744 26.90205 
1 1 1   70    4   15 o   67.795   16.677  2048.95  911.703  3314.63  1259.19  654.354  1321.77   85.836   18.604   50.934   20.607 34.90271 27.76205 
1 1 1   70    4   16 o  120.736   13.164  6248.18  1269.61  5621.02  1665.20  7118.94  1962.12  111.324   19.110  124.959   20.014 -13.63474 27.67240 
1 1 1   70    4   17 o  102.467   15.049  4650.74  1214.79  4939.14  1599.85  4258.08  1866.81  102.639   19.915   92.015   24.537 10.62437 31.60172 
1 1 1   70    6    3 o  352.726   19.735 51797.02  5629.49 52563.04  7577.46 50853.40  8410.09  351.739   26.732  343.698   30.451 8.040497 40.51992 
1 1 1   70    6    4 o  229.385   14.320 21719.21  2653.72 20716.04  3450.86 23170.97  4151.33  222.513   19.291  234.379   22.074 -11.86554 29.31538 
1 1 1   70    6    5 f  207.579   12.518 17746.11  2100.00 16452.35  2619.14 20074.99  3514.03  198.827   16.369  218.501   20.030 -19.67383 25.86757 
1 1 1   70    6    6 o  127.187   10.798  6672.31  1104.59  6630.50  1419.30  6736.52  1759.06  126.091   14.104  126.186   17.652 -0.9491730E-01 22.59453 
1 1 1   70    6    7 o   56.000   13.647  1343.75  614.837  1503.69  740.405  988.461  1103.52   59.184   15.296   53.424   19.525 5.760067 24.80309 
1 1 1   70    6    8 o  200.458   11.987 16583.13  1942.11 16211.88  2456.46 17202.07  3171.76  197.134   15.471  201.495   19.636 -4.360550 24.99830 
1 1 1   70    6    9 o   78.362   12.465  2590.97  766.569  1813.20  967.988  3899.15  1255.38   64.784   17.837   95.372   16.826 -30.58703 24.52100 
1 1 1   70    6   10 f  231.729   12.065 22204.12  2262.32 22150.90  3148.01 22260.95  3253.42  229.409   17.021  229.714   17.576 -0.3048553 24.46720 
1 1 1   70    6   11 o  211.655   12.388 18585.20  2119.63 17181.84  2981.40 20019.50  3014.08  200.857   18.488  217.585   17.201 -16.72821 25.25236 
1 1 1   70    6   12 o  186.803   16.129 14767.01  2422.40 22987.41  6322.46 13352.65  2622.53  216.770   37.264  176.398   18.590 40.37144 41.64383 
1 1 1   70    6   13 o  117.623   11.489  5783.89  1083.22  4766.81  1400.67  7297.44  1708.66  104.835   17.040  130.415   16.505 -25.58009 23.72294 
1 1 1   70    6   14 o   85.078   13.607  3106.09  908.294  2342.81  1106.67  4681.47  1589.89   72.328   18.705  102.290   19.858 -29.96144 27.28038 
1 1 1   70    6   15 o   60.949   15.729  1649.55  783.646  1637.30  948.984  1675.83  1389.44   60.672   17.981   62.878   22.033 -2.205971 28.43839 
1 1 1   70    6   16 o   76.116   14.733  2563.69  877.643  1762.89  1090.42  4036.69  1478.88   62.316   19.440   93.220   20.127 -30.90422 27.98228 
1 1 1   70    8    0 o  162.981   26.071 11441.43  3333.84   0.0000   0.0000 11441.43  3333.84  ?   ?   162.981   26.071 0.000000 26.07115 
1 1 1   70    8    1 o  178.944   25.043 13701.61  3539.05   0.0000   0.0000 13701.61  3539.05  ?   ?   178.944   25.043 0.000000 25.04345 
1 1 1   70    8    2 o  285.902   27.479 34983.51  6300.37   0.0000   0.0000 34983.51  6300.37  ?   ?   285.902   27.479 0.000000 27.47854 
1 1 1   70    8    3 o  220.438   24.528 20721.00  4315.85   0.0000   0.0000 20721.00  4315.85  ?   ?   220.438   24.528 0.000000 24.52845 
1 1 1   70    8    4 o  329.927   29.341 47169.74  7778.13   0.0000   0.0000 47169.74  7778.13  ?   ?   329.927   29.341 0.000000 29.34106 
1 1 1   70    8    5 o  244.624   12.787 24663.29  2531.01 23934.77  3094.95 26134.25  4397.79  239.971   15.975  248.269   22.045 -8.298096 27.22497 
1 1 1   70    8    6 o  172.673   10.906 12271.20  1521.17 11133.15  1834.93 14772.04  2720.07  163.721   13.936  187.424   18.099 -23.70294 22.84235 
1 1 1   70    8    7 o  112.967   9.9002  5265.20  898.939  4353.42  1078.29  7342.92  1627.74  101.919   13.351  132.245   15.450 -30.32666 20.41948 
1 1 1   70    8    8 o  196.161   10.613 15836.99  1684.18 15401.56  2225.95 16420.01  2575.74  192.359   14.355  198.011   16.161 -5.651978 21.61618 
1 1 1   70    8    9 o  135.482   11.153  7598.81  1216.02  7318.91  1467.16  8213.04  2173.41  132.250   13.869  138.116   19.959 -5.866196 24.30494 
1 1 1   70    8   10 o  285.031   13.808 33712.50  3195.57 32186.47  4425.98 35374.25  4618.62  274.652   19.984  288.070   19.867 -13.41763 28.17903 
1 1 1   70    8   11 o  325.539   14.936 44262.40  3948.01 42089.59  5549.24 46489.45  5618.08  311.706   22.068  328.461   21.178 -16.75488 30.58621 
1 1 1   70    8   12 o  152.471   11.691  9678.64  1436.37 10758.26  1907.34  8264.22  2183.14  159.605   14.890  137.479   20.156 22.12645 25.05919 
1 1 1   70    8   13 o   45.819   15.552  834.187  690.401  1034.89  844.350  429.285  1199.27   50.692   17.199   47.418   19.460 3.274105 25.97097 
1 1 1   70    8   14 o   34.071   14.357   93.658  678.009   29.843  813.329  239.022  1227.54   36.240   15.514   45.723   19.296 -9.483383 24.75896 
1 1 1   70    8   15 o   36.912   15.218  232.269  737.668  1579.51  891.072 -2701.8650  1315.01   59.489   17.366   30.037   14.833 29.45234 22.83900 
1 1 1   70    8   16 o   39.002   15.396  428.424  719.707  1191.52  842.436 -1633.2390  1384.71   52.326   17.167   35.291   16.906 17.03470 24.09425 
1 1 1   70   10    0 o  168.353   27.471 12346.42  3625.62   0.0000   0.0000 12346.42  3625.62  ?   ?   168.353   27.471 0.000000 27.47050 
1 1 1   70   10    1 o  389.557   34.601 67029.48 10830.77   0.0000   0.0000 67029.48 10830.77  ?   ?   389.557   34.601 0.000000 34.60147 
1 1 1   70   10    2 o  142.967   24.731  8872.34  2767.02   0.0000   0.0000  8872.34  2767.02  ?   ?   142.967   24.731 0.000000 24.73141 
1 1 1   70   10    3 o  178.487   24.135 13706.72  3408.09   0.0000   0.0000 13706.72  3408.09  ?   ?   178.487   24.135 0.000000 24.13514 
1 1 1   70   10    4 o   61.535   22.931  1270.18  1534.87   0.0000   0.0000  1270.18  1534.87  ?   ?    61.535   22.931 0.000000 22.93053 
1 1 1   70   10    5 o   55.582   21.643  858.283  1405.94   0.0000   0.0000  858.283  1405.94  ?   ?    55.582   21.643 0.000000 21.64334 
1 1 1   70   10    6 o  153.274   19.913 10025.67  2419.65 10015.10  5491.32 10028.21  2695.42  143.028   43.451  152.315   22.469 -9.287186 48.91685 
1 1 1   70   10    7 o  100.691   8.8985  4179.46  720.039  3399.53  777.935  8841.97  1902.05   90.372   10.817  144.822   16.468 -54.44977 19.70267 
1 1 1   70   10    8 o  193.485   10.976 15438.39  1717.25 15538.18  2195.99 15281.32  2755.15  193.145   14.100  190.007   18.076 3.137848 22.92499 
1 1 1   70   10    9 o   47.295   11.024  956.974  415.524  737.687  448.425  2288.98  1105.19   41.911   12.344   72.317   18.687 -30.40668 22.39621 
1 1 1   70   10   10 o   52.185   12.186  1170.16  507.007  917.653  542.811  2896.98  1419.51   46.530   13.546   80.743   21.332 -34.21310 25.26977 
1 1 1   70   10   11 o  117.403   10.298  5720.12  971.801  5381.77  1173.01  6460.55  1735.25  113.117   13.008  122.283   18.016 -9.166817 22.22172 
1 1 1   70   10   12 o   66.665   11.545  1891.67  602.297  1655.61  676.392  2795.50  1323.53   61.776   13.829   78.949   20.474 -17.17268 24.70707 
1 1 1   70   10   13 o   77.248   21.760  2714.48  1423.07  1822.34  5900.33  2769.58  1466.36   90.999   40.305   77.948   22.134 13.05176 45.98285 
1 1 1   70   10   14 o  101.827   11.420  4378.14  927.964  3715.75  1108.14  5932.92  1697.75   92.293   15.325  115.395   18.764 -23.10210 24.22709 
1 1 1   70   10   15 o  123.398   11.658  6454.99  1154.28  6382.64  1412.86  6600.21  2001.63  121.256   14.647  119.190   21.472 2.065872 25.99224 
1 1 1   70   10   16 o   65.622   14.271  1926.53  738.740  1984.86  834.270  1714.71  1589.87   66.085   15.768   62.737   23.346 3.348118 28.17169 
1 1 1   70   12    0 o  169.466   29.025 12720.92  3850.25   0.0000   0.0000 12720.92  3850.25  ?   ?   169.466   29.025 0.000000 29.02529 
1 1 1   70   12    1 o  361.537   33.696 58308.75  9777.69   0.0000   0.0000 58308.75  9777.69  ?   ?   361.537   33.696 0.000000 33.69595 
1 1 1   70   12    2 o  169.128   25.728 12481.14  3421.69   0.0000   0.0000 12481.14  3421.69  ?   ?   169.128   25.728 0.000000 25.72766 
1 1 1   70   12    3 o   61.484   24.705  874.738  1885.85   0.0000   0.0000  874.738  1885.85  ?   ?    61.484   24.705 0.000000 24.70532 
1 1 1   70   12    4 o  198.874   25.139 17193.30  3968.78   0.0000   0.0000 17193.30  3968.78  ?   ?   198.874   25.139 0.000000 25.13923 
1 1 1   70   12    5 o   39.117   17.939 -855.1929  1292.34   0.0000   0.0000 -855.1929  1292.34  ?   ?    39.117   17.939 0.000000 17.93928 
1 1 1   70   12    6 o  270.399   22.629 31396.33  4922.54 25652.43  8776.50 34032.59  5945.82  222.342   49.846  278.770   26.590 -56.42798 56.49468 
1 1 1   70   12    7 o   61.959   22.427  1417.83  1450.94  1526.10  4316.17  1404.03  1540.60   86.225   36.273   62.610   23.041 23.61447 42.97266 
1 1 1   70   12    8 o  333.943   23.940 48469.61  6448.32 50310.00 11170.34 47549.79  7897.01  316.281   44.745  324.434   30.330 -8.152679 54.05577 
1 1 1   70   12    9 o   76.471   20.412  2585.27  1291.14 -1640.2700  4910.09  2899.16  1338.23   76.638   35.081   80.898   20.382 -4.259361 40.57206 
1 1 1   70   12   10 o  320.099   13.807 42693.07  3588.51 42378.60  4923.78 43049.34  5240.90  314.537   19.373  316.013   20.536 -1.475891 28.23251 
1 1 1   70   12   11 o  149.450   10.036  9247.80  1210.73  8027.12  1453.56 12013.53  2187.96  138.225   13.108  167.954   16.247 -29.72795 20.87532 
1 1 1   70   12   12 f  139.162   9.8472  8033.67  1105.50  6682.52  1308.59 11401.79  2066.07  125.839   12.994  163.403   15.768 -37.56396 20.43220 
1 1 1   70   12   13 o   91.383   9.8547  3495.16  719.652  3511.37  802.434  3428.53  1626.84   91.251   11.056   85.834   22.914 5.416656 25.44133 
1 1 1   70   12   14 o  108.222   10.148  4914.19  881.308  4273.41  1008.56  6983.63  1812.49   99.929   12.718  125.071   18.397 -25.14260 22.36556 
1 1 1   70   12   15 o   43.300   13.055  811.245  497.109  691.648  528.493  1729.45  1464.36   40.904   13.606   62.768   22.556 -21.86373 26.34175 
1 1 1   70   14    0 o  228.559   30.380 23370.73  5498.37   0.0000   0.0000 23370.73  5498.37  ?   ?   228.559   30.380 0.000000 30.38033 
1 1 1   70   14    1 o  250.728   29.417 27919.86  5874.97   0.0000   0.0000 27919.86  5874.97  ?   ?   250.728   29.417 0.000000 29.41695 
1 1 1   70   14    2 o  200.777   27.160 17783.23  4314.15   0.0000   0.0000 17783.23  4314.15  ?   ?   200.777   27.160 0.000000 27.16042 
1 1 1   70   14    3 o  363.456   34.212 60223.07  9977.56   0.0000   0.0000 60223.07  9977.56  ?   ?   363.456   34.212 0.000000 34.21178 
1 1 1   70   14    4 o  329.442   31.879 48979.46  8420.94   0.0000   0.0000 48979.46  8420.94  ?   ?   329.442   31.879 0.000000 31.87929 
1 1 1   70   14    5 o  199.262   26.180 17531.44  4133.28   0.0000   0.0000 17531.44  4133.28  ?   ?   199.262   26.180 0.000000 26.18014 
1 1 1   70   14    6 o  202.360   21.609 17668.63  3495.64 23047.63  7149.44 15978.73  4007.30  215.272   42.411  189.417   26.804 25.85558 50.17070 
1 1 1   70   14    7 o  322.017   24.388 45313.53  6329.26 46566.78 11130.95 44714.71  7694.19  299.742   47.304  313.651   30.602 -13.90881 56.33924 
1 1 1   70   14    8 o  206.456   21.440 18489.82  3541.65 24488.85  7566.13 16806.54  4007.85  217.635   44.322  193.822   26.133 23.81389 51.45228 
1 1 1   70   14    9 o   86.338   22.587  3359.19  1601.66  6116.20  5824.34  3133.65  1665.88  113.415   44.083   83.365   23.564 30.04957 49.98558 
1 1 1   70   14   10 o  111.461   19.445  5465.63  1695.82  6401.39  7213.22  5410.88  1744.72  115.243   47.560  110.580   20.175 4.662750 51.66224 
1 1 1   70   14   11 o  292.723   25.434 38882.93  5985.03 32550.05 11771.96 41090.52  6950.35  208.788   63.661  296.010   29.302 -87.22221 70.08140 
1 1 1   70   14   12 o  184.368   18.905 14901.42  2790.02 20840.82  8760.61 14231.02  2943.27  170.667   55.328  178.900   20.641 -8.232620 59.05231 
1 1 1   70   14   13 o  171.767   10.173 12308.97  1412.53 10569.65  1701.83 16160.74  2532.54  157.548   13.432  193.011   16.313 -35.46365 21.13080 
1 1 1   70   14   14 o   62.046   22.844  1621.19  1514.65 -4010.7380  8165.06  1821.90  1541.40   78.939   38.569   64.439   23.143 14.49979 44.97996 
1 1 1   70   14   15 o   50.404   11.176  1114.13  445.419  928.651  463.120  3402.24  1626.61   45.854   12.218   82.616   23.261 -36.76204 26.27471 
1 1 1   70   16    0 o  223.949   32.190 23028.19  5685.15   0.0000   0.0000 23028.19  5685.15  ?   ?   223.949   32.190 0.000000 32.19006 
1 1 1   70   16    1 o  242.677   30.750 26720.32  5923.29   0.0000   0.0000 26720.32  5923.29  ?   ?   242.677   30.750 0.000000 30.75030 
1 1 1   70   16    2 o  161.973   29.306 11941.85  3712.31   0.0000   0.0000 11941.85  3712.31  ?   ?   161.973   29.306 0.000000 29.30572 
1 1 1   70   16    3 o  128.134   29.465  7573.54  3001.58   0.0000   0.0000  7573.54  3001.58  ?   ?   128.134   29.465 0.000000 29.46519 
1 1 1   70   16    4 o  197.154   27.876 17468.75  4338.03   0.0000   0.0000 17468.75  4338.03  ?   ?   197.154   27.876 0.000000 27.87593 
1 1 1   70   16    5 o  198.955   27.625 17810.34  4342.21   0.0000   0.0000 17810.34  4342.21  ?   ?   198.955   27.625 0.000000 27.62466 
1 1 1   70   16    6 o  167.161   23.638 12343.79  3118.88 24735.90  7076.91  9356.75  3474.49  222.612   40.650  141.052   31.167 81.55988 51.22349 
1 1 1   70   16    7 o  205.968   24.013 18767.74  3940.53  9416.70  8318.17 21473.48  4474.46  131.428   52.195  219.259   25.616 -87.83064 58.14190 
1 1 1   70   16    8 o  279.708   24.250 34699.14  5452.94 35564.43 10640.69 34390.96  6350.16  244.775   54.892  273.599   29.028 -28.82433 62.09493 
1 1 1   70   16    9 o   88.502   24.884  3607.61  1862.86  2842.21  6546.45  3675.05  1943.19   99.134   43.226   89.179   25.534 9.955643 50.20456 
1 1 1   70   16   10 o  149.748   20.836  9944.80  2464.84  2192.41  8237.57 10707.14  2583.20  100.958   45.914  155.347   21.019 -54.38866 50.49644 
1 1 1   70   16   11 o  112.912   23.754  5923.39  2108.80  8134.42  8116.51  5763.33  2183.80  116.154   49.348  110.684   24.902 5.470207 55.27492 
1 1 1   70   16   12 o   49.548   21.207  238.648  1519.30  3585.10  7507.86   95.758  1551.40   97.105   44.035   48.866   21.176 48.23937 48.86191 
1 1 1   70   16   13 o   75.454   25.560  2725.46  1864.88  3637.61  8756.85  2682.13  1908.66   95.009   44.620   75.026   25.849 19.98376 51.56694 
1 1 1   70   16   14 o   51.222   21.616  552.921  1540.41 -5836.8682  9323.54  732.237  1561.88   76.812   38.203   52.968   22.017 23.84342 44.09317 
1 1 1   70   18    0 o  215.661   34.590 22160.59  5852.34   0.0000   0.0000 22160.59  5852.34  ?   ?   215.661   34.590 0.000000 34.59028 
1 1 1   70   18    1 o  201.934   32.492 19125.04  5146.79   0.0000   0.0000 19125.04  5146.79  ?   ?   201.934   32.492 0.000000 32.49194 
1 1 1   70   18    2 o  105.768   32.171  5290.78  3008.86   0.0000   0.0000  5290.78  3008.86  ?   ?   105.768   32.171 0.000000 32.17054 
1 1 1   70   18    3 o   49.133   22.376 -961.9079  1964.99   0.0000   0.0000 -961.9079  1964.99  ?   ?    49.133   22.376 0.000000 22.37565 
1 1 1   70   18    4 o  129.682   31.123  7989.79  3235.46   0.0000   0.0000  7989.79  3235.46  ?   ?   129.682   31.123 0.000000 31.12310 
1 1 1   70   18    5 o  250.350   30.517 29062.90  6075.06   0.0000   0.0000 29062.90  6075.06  ?   ?   250.350   30.517 0.000000 30.51733 
1 1 1   70   18    6 o  198.358   25.361 17702.50  3991.14 19821.58  8835.29 17159.22  4473.58  177.294   55.340  191.980   29.654 -14.68623 62.78409 
1 1 1   70   18    7 o   43.830   20.267 -1152.1899  1697.84  133.545  6322.68 -1252.1080  1762.58   89.172   40.426   44.304   20.543 44.86858 45.34665 
1 1 1   70   18    8 o   81.308   27.438  2976.64  2148.88 -3770.1179  7112.16  3654.43  2254.24   82.271   39.106   88.460   28.002 -6.188904 48.09780 
1 1 1   70   18    9 o  273.988   25.833 34476.25  5679.28 41112.55 11927.28 32530.46  6458.42  241.815   60.808  259.370   31.299 -17.55513 68.39017 
1 1 1   70   18   10 o  235.055   25.932 25765.96  4866.89 18615.18 11413.99 27354.98  5380.54  143.379   59.552  239.515   28.207 -96.13586 65.89440 
1 1 1   70   18   11 o  183.320   21.647 15310.06  3159.97 17668.54 10721.81 15085.71  3306.85  135.747   57.142  180.678   23.067 -44.93181 61.62227 
1 1 1   70   18   12 o   59.544   25.661  616.740  2252.74  5978.06  9261.25  279.575  2322.50  100.127   46.651   58.112   25.531 42.01434 53.18025 
1 1 1   70   18   13 o   71.228   26.697  2400.97  2086.50  1791.85 10485.26  2426.08  2129.08   88.632   43.390   71.561   26.940 17.07115 51.07306 
1 1 1   70   20    0 o  155.906   36.243 12228.92  4500.90   0.0000   0.0000 12228.92  4500.90  ?   ?   155.906   36.243 0.000000 36.24250 
1 1 1   70   20    1 o  115.266   36.059  6678.90  3748.95   0.0000   0.0000  6678.90  3748.95  ?   ?   115.266   36.059 0.000000 36.05934 
1 1 1   70   20    2 o   68.781   28.719  1008.31  2674.58   0.0000   0.0000  1008.31  2674.58  ?   ?    68.781   28.719 0.000000 28.71914 
1 1 1   70   20    3 o   73.050   29.219  1693.91  2624.85   0.0000   0.0000  1693.91  2624.85  ?   ?    73.050   29.219 0.000000 29.21936 
1 1 1   70   20    4 o  137.354   33.213  9307.02  3663.45   0.0000   0.0000  9307.02  3663.45  ?   ?   137.354   33.213 0.000000 33.21297 
1 1 1   70   20    5 o   63.627   26.878  679.241  2385.77   0.0000   0.0000  679.241  2385.77  ?   ?    63.627   26.878 0.000000 26.87819 
1 1 1   70   20    6 o   74.301   29.112  2002.06  2555.86   0.0000   0.0000  2002.06  2555.86  ?   ?    74.301   29.112 0.000000 29.11230 
1 1 1   70   20    7 o  112.153   29.374  6144.50  2706.75 11989.60  8756.32  5526.97  2846.14  132.103   53.181  105.523   31.104 26.58028 61.60894 
1 1 1   70   20    8 o   52.887   23.304 -119.3757  1947.91 -8887.8164  8028.79  429.034  2007.90   75.718   37.250   57.267   24.442 18.45089 44.55277 
1 1 1   70   20    9 o  131.967   29.867  8716.14  3125.68  3852.58  9815.42  9265.00  3297.34  102.574   47.870  135.464   30.689 -32.89037 56.86213 
1 1 1   70   20   10 o  121.639   30.586  7677.59  3017.75 12030.57 10239.93  7263.58  3158.00  117.621   52.535  116.678   32.255 0.9426651 61.64644 
1 1 1   70   20   11 o  153.111   24.130 11275.93  2900.58 18734.75 11664.60 10784.32  2994.65  123.544   55.558  148.038   25.854 -24.49463 61.27883 
1 1 1   70   20   12 o   82.915   29.203  3690.82  2442.95  3075.30  9556.78  3733.85  2526.90   88.477   42.887   83.174   29.657 5.302757 52.14266 
1 1 1   70   22    0 o  100.102   38.208  4919.38  4319.34   0.0000   0.0000  4919.38  4319.34  ?   ?   100.102   38.208 0.000000 38.20808 
1 1 1   70   22    1 o  139.883   39.363 10648.64  4659.31   0.0000   0.0000 10648.64  4659.31  ?   ?   139.883   39.363 0.000000 39.36263 
1 1 1   70   22    2 o   70.084   29.937  910.268  3016.60   0.0000   0.0000  910.268  3016.60  ?   ?    70.084   29.937 0.000000 29.93683 
1 1 1   70   22    3 o   52.724   23.639 -488.3538  2094.61   0.0000   0.0000 -488.3538  2094.61  ?   ?    52.724   23.639 0.000000 23.63910 
1 1 1   70   22    4 o  117.963   35.464  7309.91  3672.17   0.0000   0.0000  7309.91  3672.17  ?   ?   117.963   35.464 0.000000 35.46442 
1 1 1   70   22    5 o  116.594   35.105  7173.23  3596.18   0.0000   0.0000  7173.23  3596.18  ?   ?   116.594   35.105 0.000000 35.10514 
1 1 1   70   22    6 o  155.469   32.907 12329.03  4024.54   0.0000   0.0000 12329.03  4024.54  ?   ?   155.469   32.907 0.000000 32.90700 
1 1 1   70   22    7 o  214.027   31.125 22908.94  5250.52 12434.54 12831.70 25015.37  5754.30  120.216   55.632  221.209   33.050 -100.9926 64.70886 
1 1 1   70   22    8 o  135.379   31.016  9475.17  3336.28 16518.27 11314.92  8804.54  3491.51  127.555   56.189  128.049   33.277 -0.4944305 65.30318 
1 1 1   70   22    9 o  117.929   33.184  7705.53  3311.40 25885.88 11565.17  6081.96  3456.10  146.856   60.369  103.095   34.797 43.76080 69.67948 
1 1 1   70   22   10 o   77.632   29.647  2989.78  2601.33 -16020.5000 11463.50  4021.84  2671.01   73.803   37.423   86.316   30.522 -12.51347 48.29147 
1 1 1   70   22   11 o   98.450   33.931  6003.35  3288.80   0.0000   0.0000  6003.35  3288.80  ?   ?    98.450   33.931 0.000000 33.93084 
1 1 1   70   24    0 o  160.271   46.168 16351.03  6335.20   0.0000   0.0000 16351.03  6335.20  ?   ?   160.271   46.168 0.000000 46.16788 
1 1 1   70   24    1 o   68.774   30.079  669.432  3191.34   0.0000   0.0000  669.432  3191.34  ?   ?    68.774   30.079 0.000000 30.07902 
1 1 1   70   24    2 o   68.211   30.293  312.954  3354.96   0.0000   0.0000  312.954  3354.96  ?   ?    68.211   30.293 0.000000 30.29313 
1 1 1   70   24    3 o  115.636   35.828  7379.32  3710.99   0.0000   0.0000  7379.32  3710.99  ?   ?   115.636   35.828 0.000000 35.82752 
1 1 1   70   24    4 o  139.580   39.046 11276.91  4598.71   0.0000   0.0000 11276.91  4598.71  ?   ?   139.580   39.046 0.000000 39.04556 
1 1 1   70   24    5 o   49.881   23.082 -1126.4700  2208.29   0.0000   0.0000 -1126.4700  2208.29  ?   ?    49.881   23.082 0.000000 23.08160 
1 1 1   70   24    6 o   98.458   35.703  5468.38  3679.71   0.0000   0.0000  5468.38  3679.71  ?   ?    98.458   35.703 0.000000 35.70341 
1 1 1   70   24    7 o   33.498   16.841 -5517.1372  2048.08   0.0000   0.0000 -5517.1372  2048.08  ?   ?    33.498   16.841 0.000000 16.84090 
1 1 1   70   24    8 o   51.004   23.224 -482.5647  2115.70  779.677 12270.90 -521.2372  2147.86   89.941   44.578   51.155   23.334 38.78619 50.31536 
1 1 1   70   24    9 o   98.263   32.952  5803.39  3099.23   0.0000   0.0000  5803.39  3099.23  ?   ?    98.263   32.952 0.000000 32.95247 
1 1 1   70   24   10 o   48.287   22.903 -1527.9980  2414.12   0.0000   0.0000 -1527.9980  2414.12  ?   ?    48.287   22.903 0.000000 22.90306 
1 1 1   70   26    1 o  155.488   48.073 17759.00  6685.33   0.0000   0.0000 17759.00  6685.33  ?   ?   155.488   48.073 0.000000 48.07329 
1 1 1   70   26    2 o  160.889   42.385 16578.80  5614.29   0.0000   0.0000 16578.80  5614.29  ?   ?   160.889   42.385 0.000000 42.38495 
1 1 1   70   26    3 o   94.971   37.502  5345.98  4271.56   0.0000   0.0000  5345.98  4271.56  ?   ?    94.971   37.502 0.000000 37.50199 
1 1 1   70   26    4 o   99.250   38.122  6206.71  4316.68   0.0000   0.0000  6206.71  4316.68  ?   ?    99.250   38.122 0.000000 38.12173 
1 1 1   70   26    5 o  105.378   38.998  7446.60  4424.38   0.0000   0.0000  7446.60  4424.38  ?   ?   105.378   38.998 0.000000 38.99807 
1 1 1   70   26    6 o   91.894   34.766  5177.46  3556.46   0.0000   0.0000  5177.46  3556.46  ?   ?    91.894   34.766 0.000000 34.76648 
1 1 1   70   26    7 f   58.113   26.293  139.790  2659.29   0.0000   0.0000  139.790  2659.29  ?   ?    58.113   26.293 0.000000 26.29311 
1 1 1   70   26    8 f   73.142   30.428  2755.14  2986.57   0.0000   0.0000  2755.14  2986.57  ?   ?    73.142   30.428 0.000000 30.42759 
1 1 1   70   28    3 o   69.761   32.118  1047.62  4197.78   0.0000   0.0000  1047.62  4197.78  ?   ?    69.761   32.118 0.000000 32.11779 
1 1 1   70   28    4 o  119.075   44.370 12810.53  5746.62   0.0000   0.0000 12810.53  5746.62  ?   ?   119.075   44.370 0.000000 44.37001 
1 1 1   70   28    5 o   76.502   34.162  3191.17  4327.73   0.0000   0.0000  3191.17  4327.73  ?   ?    76.502   34.162 0.000000 34.16221 
1 1 1   70   28    6 o   72.658   32.864  2622.63  4150.71   0.0000   0.0000  2622.63  4150.71  ?   ?    72.658   32.864 0.000000 32.86382 
1 1 1   70   30    0 o   53.884   26.971 -6009.0288  4977.76   0.0000   0.0000 -6009.0288  4977.76  ?   ?    53.884   26.971 0.000000 26.97102 
1 1 1   70   30    1 o   57.247   28.516 -4664.5649  5277.21   0.0000   0.0000 -4664.5649  5277.21  ?   ?    57.247   28.516 0.000000 28.51595 
1 1 1   70   30    2 o   67.203   32.316  932.706  5167.83   0.0000   0.0000  932.706  5167.83  ?   ?    67.203   32.316 0.000000 32.31589 
1 1 1   71    1    0 o   83.089   16.756  2938.92  1091.40  3394.96  1501.23  2427.68  1589.50   88.780   21.131   76.229   23.420 12.55128 31.54339 
1 1 1   71    1    1 o   38.686   14.801  419.303  649.081 -1018.7400  959.281  1633.65  881.520   31.342   14.735   62.025   16.999 -30.68293 22.49617 
1 1 1   71    1    2 o  100.871   13.967  4248.45  1113.24  4371.89  1481.04  4088.14  1687.87  101.352   18.685   97.326   21.889 4.025719 28.77975 
1 1 1   71    1    3 o  255.547   15.978 26982.13  3298.81 27370.70  4591.61 26567.62  4742.50  255.287   22.377  251.042   23.541 4.244965 32.47937 
1 1 1   71    1    4 o  270.523   16.247 30284.51  3552.15 31002.19  4953.67 29524.89  5096.37  271.317   22.694  264.163   24.023 7.153320 33.04740 
1 1 1   71    1    5 o  184.127   13.055 13987.07  1939.13 14763.03  2688.29 13145.40  2799.79  187.928   17.831  176.619   19.868 11.30977 26.69618 
1 1 1   71    1    6 o  224.238   12.056 20689.57  2186.98 19730.69  3048.84 21705.92  3138.85  217.391   17.419  228.199   17.064 -10.80746 24.38404 
1 1 1   71    1    7 o  312.398   13.812 40229.45  3503.44 40964.72  4940.83 39485.91  4968.51  312.310   19.583  306.336   20.086 5.973145 28.05269 
1 1 1   71    1    8 o   47.832   15.918  903.443  723.317  858.602  744.100  1672.67  3081.91   47.266   16.145   78.870   31.621 -31.60395 35.50418 
1 1 1   71    1    9 o  152.199   14.382  9671.18  1756.30  8919.98  4586.44  9800.26  1901.22  136.104   39.304  152.874   15.532 -16.76923 42.26212 
1 1 1   71    1   10 o  127.454   11.361  6735.74  1163.43  6579.55  1628.97  6898.36  1662.20  124.529   16.518  127.585   16.427 -3.056107 23.29561 
1 1 1   71    1   11 o  123.057   11.777  6302.03  1162.36  7986.26  1652.46  4652.58  1635.31  137.691   15.024  103.010   20.274 34.68085 25.23386 
1 1 1   71    1   12 o  143.679   11.931  8593.92  1379.34  9317.57  1986.48  7920.19  1916.74  147.899   16.842  135.846   17.806 12.05345 24.50937 
1 1 1   71    1   13 o   44.201   16.475  653.548  792.441  139.212  1148.98  1120.15  1094.37   43.893   18.603   54.404   19.505 -10.51063 26.95398 
1 1 1   71    1   14 o   82.654   15.975  2985.54  1033.33  3746.36  1405.27  2089.88  1524.71   91.505   19.510   69.325   23.112 22.17968 30.24585 
1 1 1   71    1   15 o   78.978   16.792  2773.80  1043.67  3130.31  1394.71  2320.12  1573.33   82.519   20.817   71.622   23.459 10.89691 31.36368 
1 1 1   71    1   16 o  180.553   13.620 13953.13  1982.01 15322.89  2866.96 12699.15  2743.12  184.529   19.426  166.786   20.701 17.74243 28.38842 
1 1 1   71    1   17 o   76.056   19.090  2723.71  1177.05  3573.10  1719.36  1974.52  1614.76   84.478   23.961   65.572   23.671 18.90583 33.68108 
1 1 1   71    3    0 o  424.941   23.881 75569.64  8206.43 77301.16 11452.79 73742.48 11764.79  423.738   33.562  412.453   35.475 11.28445 48.83479 
1 1 1   71    3    1 o  548.488   29.628 127813.30 13146.15 135917.20 18378.75 119323.10 18811.73  554.506   41.113  514.786   45.473 39.72101 61.30280 
1 1 1   71    3    2 o  297.387   17.864 36631.14  4293.52 37634.61  5847.93 35457.69  6323.86  298.966   24.301  288.797   27.292 10.16934 36.54244 
1 1 1   71    3    3 o   95.641   12.706  3811.47  962.323  3794.70  1195.17  3842.37  1622.70   94.724   16.117   94.235   21.661 0.4892349 26.99901 
1 1 1   71    3    4 o   62.473   13.398  1662.27  659.242  1600.39  790.839  1803.20  1193.48   61.174   15.808   65.780   20.308 -4.605827 25.73491 
1 1 1   71    3    5 o  120.586   11.485  6009.09  1110.97  5383.48  1412.65  7023.31  1798.67  113.155   15.807  129.049   17.627 -15.89399 23.67596 
1 1 1   71    3    6 o  103.167   14.161  4464.11  1154.96  4464.11  1154.96   0.0000   0.0000  103.167   14.161  ?   ?  0.000000 14.16125 
1 1 1   71    3    7 o  187.065   11.386 14409.32  1721.25 13618.14  2341.59 15339.35  2538.77  180.554   16.143  191.594   16.480 -11.03973 23.06864 
1 1 1   71    3    8 o  110.804   10.445  5076.38  928.630  5005.76  1246.15  5164.58  1392.58  109.139   14.415  110.470   15.990 -1.330635 21.52852 
1 1 1   71    3    9 o  154.426   11.003  9844.11  1370.58 10606.24  1885.45  8990.13  1995.83  159.309   14.743  145.797   17.190 13.51187 22.64609 
1 1 1   71    3   10 o   80.478   12.632  2735.51  798.278  2485.22  1116.17  2997.58  1142.15   75.428   18.391   83.116   17.478 -7.688179 25.37125 
1 1 1   71    3   11 f  164.113   11.483 11158.25  1520.46 10425.77  2127.73 11922.57  2173.50  156.748   16.990  168.077   16.124 -11.32938 23.42291 
1 1 1   71    3   12 o  109.919   11.966  5055.03  1050.70  4314.29  1486.82  5793.95  1485.00   99.189   19.155  116.451   16.139 -17.26241 25.04732 
1 1 1   71    3   13 o  155.657   12.259 10122.33  1536.81 10145.66  2210.24 10100.50  2138.29  153.356   18.099  153.302   17.491 0.5361938E-01 25.16979 
1 1 1   71    3   14 o  126.426   12.861  6745.90  1301.81  6930.18  1913.80  6587.20  1775.99  125.253   19.449  122.559   18.416 2.694389 26.78447 
1 1 1   71    3   15 o   39.072   16.629   99.910  924.594  461.145  1333.23 -234.7958  1283.34   49.122   20.374   42.434   18.796 6.687794 27.71937 
1 1 1   71    3   16 o   66.716   18.686  2041.81  1052.57  713.726  1428.57  3619.01  1556.81   52.109   21.295   87.281   21.980 -35.17184 30.60412 
1 1 1   71    5    0 o   88.068   8.5331  3190.15  602.539  3037.50  630.162  4817.63  2057.65   85.825   9.1854  105.271   24.528 -19.44601 26.19113 
1 1 1   71    5    1 o  338.580   16.041 47184.39  4409.90 48751.80  5184.31 43081.78  8387.44  342.843   18.694  315.070   33.290 27.77252 38.17947 
1 1 1   71    5    2 o  309.192   17.452 39599.47  4363.39 36604.86  5797.52 43512.07  6626.82  294.411   24.474  320.540   25.677 -26.12842 35.47235 
1 1 1   71    5    3 o  261.759   21.259 28753.07  4479.44 28753.07  4479.44   0.0000   0.0000  261.759   21.259  ?   ?  0.000000 21.25948 
1 1 1   71    5    4 o   92.546   14.012  3598.39  1020.00  3598.39  1020.00   0.0000   0.0000   92.546   14.012  ?   ?  0.000000 14.01232 
1 1 1   71    5    5 o  440.113   22.970 81836.84  8179.99 76583.66 11277.35 87669.29 11882.90  416.579   33.627  446.478   33.012 -29.89957 47.12306 
1 1 1   71    5    6 o  249.501   12.255 25572.78  2482.65 24204.35  3370.52 27195.75  3670.64  240.739   17.359  255.055   17.837 -14.31604 24.88961 
1 1 1   71    5    7 o  191.099   11.586 15049.15  1789.31 15480.26  2416.09 14525.50  2662.80  192.692   15.575  185.848   17.866 6.843781 23.70209 
1 1 1   71    5    8 o  310.243   14.245 39812.67  3588.32 40020.57  5007.92 39593.30  5144.14  307.631   20.160  305.550   20.859 2.081085 29.00931 
1 1 1   71    5    9 o  176.480   11.363 12860.83  1619.61 11773.02  2215.26 14110.03  2373.92  167.241   16.530  183.380   16.106 -16.13863 23.07917 
1 1 1   71    5   10 o  171.316   12.061 12165.14  1667.06 12500.80  2407.50 11855.95  2310.64  171.769   17.506  167.339   17.253 4.430359 24.57939 
1 1 1   71    5   11 o  114.713   12.127  5496.54  1112.41  5357.11  1536.89  5649.97  1612.18  111.574   17.544  114.508   17.928 -2.934425 25.08364 
1 1 1   71    5   12 o  139.186   11.329  8055.77  1269.22  7823.39  1749.34  8314.07  1844.33  135.493   16.223  139.579   16.599 -4.085251 23.21040 
1 1 1   71    5   13 o   79.685   13.804  2725.50  860.759  2127.52  1099.63  3671.64  1383.17   69.259   18.987   90.894   19.336 -21.63439 27.09961 
1 1 1   71    5   14 o  108.283   12.712  4965.80  1096.39  3221.96  1464.85  7187.05  1653.24   83.960   21.418  129.066   16.128 -45.10618 26.81138 
1 1 1   71    5   15 f   92.248   14.065  3681.46  1020.16  3761.29  1295.17  3550.99  1655.83   91.571   18.061   86.764   23.096 4.806915 29.31897 
1 1 1   71    5   16 o  102.563   13.642  4560.31  1107.93  5344.97  1423.40  3354.16  1764.76  109.661   16.497   82.696   24.523 26.96511 29.55538 
1 1 1   71    7    0 o   30.185   14.681 -1995.2990  1145.17   0.0000   0.0000 -1995.2990  1145.17  ?   ?    30.185   14.681 0.000000 14.68083 
1 1 1   71    7    1 o  179.318   24.667 13753.46  3496.43   0.0000   0.0000 13753.46  3496.43  ?   ?   179.318   24.667 0.000000 24.66690 
1 1 1   71    7    2 o  218.413   24.375 20310.50  4249.05   0.0000   0.0000 20310.50  4249.05  ?   ?   218.413   24.375 0.000000 24.37503 
1 1 1   71    7    3 o  416.774   35.174 76781.69 11791.77   0.0000   0.0000 76781.69 11791.77  ?   ?   416.774   35.174 0.000000 35.17356 
1 1 1   71    7    4 o  150.489   22.218  9702.65  2633.23   0.0000   0.0000  9702.65  2633.23  ?   ?   150.489   22.218 0.000000 22.21814 
1 1 1   71    7    5 o  111.844   11.330  5180.41  1014.72  4437.73  1188.03  7183.56  1951.11  102.709   14.662  129.928   19.061 -27.21915 24.04783 
1 1 1   71    7    6 o  220.779   13.179 20146.72  2351.79 19922.00  2922.00 20560.04  3962.78  218.412   16.601  219.376   22.569 -0.9639587 28.01689 
1 1 1   71    7    7 o   73.337   11.806  2264.69  679.169  1952.47  818.236  2956.28  1217.79   67.343   15.311   82.495   18.622 -15.15230 24.10795 
1 1 1   71    7    8 o  340.639   15.125 48166.30  4183.40 49490.56  5824.81 46755.53  6012.06  341.178   21.130  330.567   22.533 10.61099 30.89067 
1 1 1   71    7    9 o  119.473   11.473  5928.03  1099.25  4811.44  1321.39  8437.26  1980.86  106.400   15.773  140.825   17.716 -34.42451 23.71959 
1 1 1   71    7   10 o  152.433   10.637  9603.00  1308.30  9050.25  1719.67 10362.55  2015.87  146.805   14.621  156.662   16.075 -9.856689 21.72995 
1 1 1   71    7   11 o   78.230   12.227  2589.74  751.222  2579.50  942.464  2607.58  1244.01   77.215   15.570   76.775   19.820 0.4399643 25.20420 
1 1 1   71    7   12 o  177.757   16.671 13454.31  2378.01 16147.68  6621.57 13055.49  2548.00  170.447   46.537  174.277   18.278 -3.829514 49.99790 
1 1 1   71    7   13 f   90.235   12.711  3456.83  905.494  3688.84  1107.18  2988.20  1573.54   92.426   15.288   80.970   22.907 11.45547 27.53968 
1 1 1   71    7   14 o   76.923   15.003  2586.76  903.417  2087.00  1080.94  3744.66  1645.34   68.167   18.881   89.888   22.574 -21.72121 29.42961 
1 1 1   71    7   15 o   93.032   13.112  3723.25  963.008  2970.53  1181.99  5209.39  1660.84   80.840   18.418  106.945   19.857 -26.10551 27.08401 
1 1 1   71    7   16 o   80.464   16.198  2917.59  1021.68  3028.66  1254.07  2698.39  1761.82   80.488   19.414   74.529   24.845 5.959328 31.52997 
1 1 1   71    9    0 o  362.852   33.507 57884.38  9760.51   0.0000   0.0000 57884.38  9760.51  ?   ?   362.852   33.507 0.000000 33.50717 
1 1 1   71    9    1 o  221.955   25.973 21174.46  4592.30   0.0000   0.0000 21174.46  4592.30  ?   ?   221.955   25.973 0.000000 25.97273 
1 1 1   71    9    2 o  112.664   26.659  5617.52  2400.77   0.0000   0.0000  5617.52  2400.77  ?   ?   112.664   26.659 0.000000 26.65937 
1 1 1   71    9    3 o   76.749   24.549  2470.53  1729.15   0.0000   0.0000  2470.53  1729.15  ?   ?    76.749   24.549 0.000000 24.54924 
1 1 1   71    9    4 o  285.573   27.744 35427.13  6351.88   0.0000   0.0000 35427.13  6351.88  ?   ?   285.573   27.744 0.000000 27.74363 
1 1 1   71    9    5 o   83.809   25.067  3056.37  1838.13   0.0000   0.0000  3056.37  1838.13  ?   ?    83.809   25.067 0.000000 25.06738 
1 1 1   71    9    6 o   73.173   9.1532  2223.68  531.928  1806.24  568.919  5124.13  1499.65   65.458   11.101  109.597   17.436 -44.13840 20.66989 
1 1 1   71    9    7 o  214.468   11.167 18950.68  1937.91 19253.49  2499.71 18494.54  3068.00  215.151   14.392  209.346   18.231 5.804840 23.22704 
1 1 1   71    9    8 o  368.182   15.591 56445.63  4660.97 57567.85  6422.78 55197.15  6774.48  367.052   21.646  357.862   23.444 9.190002 31.90884 
1 1 1   71    9    9 o  178.784   10.922 13200.78  1577.94 12991.50  2037.61 13514.31  2494.03  176.274   14.361  178.616   17.418 -2.342270 22.57514 
1 1 1   71    9   10 o   30.937   12.166  232.684  447.771  115.499  492.468  791.751  1075.66   30.090   12.423   50.153   19.085 -20.06334 22.77226 
1 1 1   71    9   11 o  101.766   10.897  4320.46  886.426  4285.64  1075.94  4394.03  1563.93  100.638   13.508   99.729   20.009 0.9099579 24.14201 
1 1 1   71    9   12 o  155.034   10.931  9989.15  1367.24  9880.53  1758.19 10155.34  2174.69  152.931   14.326  153.492   17.778 -0.5612488 22.83183 
1 1 1   71    9   13 o   99.834   20.115  4473.28  1574.20 -1589.7120  6166.49  4895.95  1628.14   81.639   38.047  104.661   19.886 -23.02258 42.93019 
1 1 1   71    9   14 o  112.684   11.456  5352.66  1033.57  5023.05  1270.46  5997.77  1777.39  107.768   14.919  115.538   19.650 -7.769920 24.67151 
1 1 1   71    9   15 o  124.479   11.958  6583.06  1193.71  5280.35  1432.56  9542.39  2159.16  109.085   16.706  145.837   18.662 -36.75285 25.04683 
1 1 1   71    9   16 o  105.086   13.037  4792.15  1088.49  4503.62  1332.54  5370.75  1886.98   99.630   17.087  104.993   22.788 -5.363235 28.48324 
1 1 1   71   11    0 o  212.433   28.462 19776.37  4785.99   0.0000   0.0000 19776.37  4785.99  ?   ?   212.433   28.462 0.000000 28.46231 
1 1 1   71   11    1 o   40.368   18.804 -1314.7841  1503.61   0.0000   0.0000 -1314.7841  1503.61  ?   ?    40.368   18.804 0.000000 18.80428 
1 1 1   71   11    2 o  301.089   29.558 39769.94  7132.98   0.0000   0.0000 39769.94  7132.98  ?   ?   301.089   29.558 0.000000 29.55788 
1 1 1   71   11    3 o  385.633   34.614 66993.87 10722.91   0.0000   0.0000 66993.87 10722.91  ?   ?   385.633   34.614 0.000000 34.61384 
1 1 1   71   11    4 o   67.882   24.381  1726.37  1710.77   0.0000   0.0000  1726.37  1710.77  ?   ?    67.882   24.381 0.000000 24.38134 
1 1 1   71   11    5 o  225.240   25.824 22122.96  4637.49   0.0000   0.0000 22122.96  4637.49  ?   ?   225.240   25.824 0.000000 25.82361 
1 1 1   71   11    6 o  163.461   20.491 11455.54  2659.85 12114.92  5759.05 11276.75  2998.86  155.426   43.771  160.781   23.680 -5.355438 49.76619 
1 1 1   71   11    7 o   72.459   23.335  2227.84  1560.33  4124.10  5027.83  2025.75  1641.37  103.770   40.779   70.436   23.979 33.33390 47.30645 
1 1 1   71   11    8 o   77.125   8.3288  2461.82  513.300  2189.09  552.479  4182.74  1387.79   72.430   9.6332   98.284   18.055 -25.85444 20.46452 
1 1 1   71   11    9 o  114.537   8.8043  5408.19  812.531  4585.77  927.007  8134.82  1687.91  104.932   11.046  138.803   15.227 -33.87111 18.81138 
1 1 1   71   11   10 o  155.446   10.663 10007.41  1337.72 10050.20  1641.44  9922.78  2308.38  154.986   13.168  151.540   19.190 3.445969 23.27389 
1 1 1   71   11   11 o  115.443   18.316  5804.33  1659.53  6197.98  1786.59  3328.35  4480.68  119.023   19.135   93.717   37.932 25.30640 42.48466 
1 1 1   71   11   12 o  151.104   10.226  9479.15  1247.29  8147.75  1517.94 12246.72  2188.52  138.829   13.642  169.228   16.122 -30.39906 21.11943 
1 1 1   71   11   13 o   27.788   11.369  124.196  407.802  184.919  433.485 -343.1674  1202.62   29.549   11.855   40.333   18.010 -10.78447 21.56136 
1 1 1   71   11   14 o   78.884   11.591  2658.46  720.265  2253.10  805.200  4281.52  1611.20   71.592   14.351   96.021   21.230 -24.42834 25.62530 
1 1 1   71   11   15 o   41.601   14.095  707.300  567.112  237.195  614.265  3421.40  1475.95   34.285   13.982   84.663   21.446 -50.37857 25.60146 
1 1 1   71   13    0 o  215.487   31.041 20861.31  5274.55   0.0000   0.0000 20861.31  5274.55  ?   ?   215.487   31.041 0.000000 31.04141 
1 1 1   71   13    1 o  220.023   28.352 21410.30  4947.28   0.0000   0.0000 21410.30  4947.28  ?   ?   220.023   28.352 0.000000 28.35195 
1 1 1   71   13    2 o   88.879   29.214  3410.18  2439.18   0.0000   0.0000  3410.18  2439.18  ?   ?    88.879   29.214 0.000000 29.21398 
1 1 1   71   13    3 o  260.139   28.265 29889.72  5874.15   0.0000   0.0000 29889.72  5874.15  ?   ?   260.139   28.265 0.000000 28.26485 
1 1 1   71   13    4 o  187.606   25.989 15492.33  3852.56   0.0000   0.0000 15492.33  3852.56  ?   ?   187.606   25.989 0.000000 25.98888 
1 1 1   71   13    5 o   67.806   25.116  1652.11  1835.99   0.0000   0.0000  1652.11  1835.99  ?   ?    67.806   25.116 0.000000 25.11632 
1 1 1   71   13    6 o  314.342   24.875 43100.95  6297.15 38958.20 11233.11 44999.48  7604.38  268.270   53.446  316.421   29.954 -48.15176 61.26799 
1 1 1   71   13    7 o  208.774   21.459 18824.29  3585.93 20724.53  7441.60 18249.60  4092.41  198.649   46.890  203.192   25.357 -4.543182 53.30661 
1 1 1   71   13    8 o  219.688   21.560 20913.67  3796.22 24617.94  7908.68 19804.66  4327.34  216.195   46.438  210.940   25.803 5.255524 53.12524 
1 1 1   71   13    9 o   99.467   22.853  4457.02  1806.89  2018.76  6714.97  4647.35  1876.09   99.004   43.457  101.454   23.270 -2.450264 49.29501 
1 1 1   71   13   10 o   37.455   16.688 -325.1960  1026.40 14426.46  5622.65 -833.7158  1043.94  164.814   41.918   33.997   15.780 130.8164 44.79010 
1 1 1   71   13   11 o  139.677   23.225  8814.33  2541.51 12886.32  7261.75  8245.93  2713.10  143.521   50.365  133.355   25.990 10.16550 56.67550 
1 1 1   71   13   12 o  130.349   9.3620  7050.90  984.266  6048.40  1123.47 10360.88  2041.42  119.938   11.685  154.940   16.480 -35.00201 20.20178 
1 1 1   71   13   13 o  145.624   10.301  8861.25  1210.16  8185.31  1430.36 10563.73  2270.04  138.848   12.832  154.500   18.461 -15.65215 22.48281 
1 1 1   71   13   14 o   77.367   23.855  2884.73  1647.44  4390.51  8302.17  2823.01  1680.87   95.993   44.537   76.563   24.174 19.42999 50.67483 
1 1 1   71   13   15 o   25.695   10.593  100.079  357.382   13.027  367.735  1581.16  1516.82   24.498   10.458   60.766   22.765 -36.26808 25.05275 
1 1 1   71   15    0 o  292.267   33.597 39301.25  7827.89   0.0000   0.0000 39301.25  7827.89  ?   ?   292.267   33.597 0.000000 33.59687 
1 1 1   71   15    1 o  126.423   31.514  7447.94  3223.62   0.0000   0.0000  7447.94  3223.62  ?   ?   126.423   31.514 0.000000 31.51442 
1 1 1   71   15    2 f  257.797   29.771 29889.54  6117.17   0.0000   0.0000 29889.54  6117.17  ?   ?   257.797   29.771 0.000000 29.77112 
1 1 1   71   15    3 o  328.649   33.012 49530.89  8690.14   0.0000   0.0000 49530.89  8690.14  ?   ?   328.649   33.012 0.000000 33.01162 
1 1 1   71   15    4 o  301.119   31.227 41251.06  7523.86   0.0000   0.0000 41251.06  7523.86  ?   ?   301.119   31.227 0.000000 31.22654 
1 1 1   71   15    5 o  214.993   27.603 20719.82  4707.21   0.0000   0.0000 20719.82  4707.21  ?   ?   214.993   27.603 0.000000 27.60251 
1 1 1   71   15    6 o  208.359   23.222 19005.05  3861.82 19804.49  8020.71 18763.79  4406.17  187.926   51.181  204.343   27.234 -16.41728 57.97537 
1 1 1   71   15    7 o   66.591   24.913  1603.86  1815.31  8010.91  5652.16  866.948  1916.87  124.642   44.365   60.880   24.749 63.76205 50.80098 
1 1 1   71   15    8 o   97.515   26.371  4393.69  2138.21 13177.89  6284.57  3243.74  2273.86  153.921   46.422   85.153   28.217 68.76800 54.32487 
1 1 1   71   15    9 o  207.274   22.975 19052.85  3801.67 22626.52  8692.23 18207.56  4227.44  191.707   53.700  199.708   26.742 -8.000824 59.98975 
1 1 1   71   15   10 o   48.942   20.189  442.807  1299.15  2892.06  6567.72  343.070  1325.33   98.162   43.035   48.380   20.210 49.78224 47.54464 
1 1 1   71   15   11 o   72.247   23.298  2345.34  1554.96  4465.62  7332.24  2245.49  1591.15  103.340   45.384   71.117   23.606 32.22249 51.15633 
1 1 1   71   15   12 o   50.052   21.348  275.361  1529.84 -962.6080  7442.73  329.973  1563.22   85.943   40.600   50.923   21.646 35.02052 46.01006 
1 1 1   71   15   13 o   76.832   25.654  2834.90  1878.27 -1429.5580  8683.16  3044.23  1923.82   85.728   41.390   79.148   25.941 6.579414 48.84800 
1 1 1   71   15   14 o   90.627   24.881  4144.11  1886.63  1739.09  9678.41  4239.11  1923.53   88.382   42.914   91.507   25.123 -3.125092 49.72729 
1 1 1   71   17    0 o  177.721   34.751 15123.10  4835.07   0.0000   0.0000 15123.10  4835.07  ?   ?   177.721   34.751 0.000000 34.75138 
1 1 1   71   17    1 o  240.417   32.194 26840.42  6126.86   0.0000   0.0000 26840.42  6126.86  ?   ?   240.417   32.194 0.000000 32.19428 
1 1 1   71   17    2 o  238.734   30.789 26207.67  5829.18   0.0000   0.0000 26207.67  5829.18  ?   ?   238.734   30.789 0.000000 30.78899 
1 1 1   71   17    3 o  138.241   30.746  8972.61  3361.93   0.0000   0.0000  8972.61  3361.93  ?   ?   138.241   30.746 0.000000 30.74592 
1 1 1   71   17    4 o  126.596   30.688  7569.73  3121.63   0.0000   0.0000  7569.73  3121.63  ?   ?   126.596   30.688 0.000000 30.68768 
1 1 1   71   17    5 o   62.899   25.794  880.069  2105.09   0.0000   0.0000  880.069  2105.09  ?   ?    62.899   25.794 0.000000 25.79424 
1 1 1   71   17    6 o   79.300   27.834  2675.62  2217.96  6615.44  6558.97  2166.93  2356.79  116.480   46.320   75.365   28.349 41.11552 54.30661 
1 1 1   71   17    7 o  217.608   24.308 21156.01  4221.56 19635.04  9399.35 21540.36  4724.94  171.821   57.388  216.995   27.429 -45.17467 63.60599 
1 1 1   71   17    8 f  184.471   23.996 15306.92  3509.12 14106.52  8784.62 15534.83  3827.79  145.475   54.730  184.080   26.362 -38.60429 60.74836 
1 1 1   71   17    9 o  120.174   27.573  6874.52  2633.43  6765.52  7988.38  6887.81  2789.35  114.041   48.715  119.376   29.052 -5.334991 56.72031 
1 1 1   71   17   10 o   63.778   25.896  1180.38  2095.43  2124.25  7690.28  1104.69  2177.83   96.534   44.080   63.921   26.227 32.61352 51.29230 
1 1 1   71   17   11 o  130.926   27.018  8316.35  2776.91  9735.23  9382.92  8180.14  2907.15  116.270   51.195  128.558   28.590 -12.28803 58.63676 
1 1 1   71   17   12 o   47.487   22.124 -1260.9030  2082.64 -5687.6421  8708.07 -992.3400  2144.88   79.073   38.880   49.527   22.858 29.54674 45.10094 
1 1 1   71   17   13 o   47.692   21.474 -313.8606  1749.06 -6630.6831  9712.71 -102.1502  1778.12   77.679   38.693   49.370   21.983 28.30959 44.50113 
1 1 1   71   19    0 o  112.411   37.293  6318.83  3971.51   0.0000   0.0000  6318.83  3971.51  ?   ?   112.411   37.293 0.000000 37.29339 
1 1 1   71   19    1 o  129.392   35.847  8398.55  3895.82   0.0000   0.0000  8398.55  3895.82  ?   ?   129.392   35.847 0.000000 35.84677 
1 1 1   71   19    2 o  146.354   33.845 10481.80  3941.76   0.0000   0.0000 10481.80  3941.76  ?   ?   146.354   33.845 0.000000 33.84502 
1 1 1   71   19    3 o  254.464   31.830 30570.94  6432.78   0.0000   0.0000 30570.94  6432.78  ?   ?   254.464   31.830 0.000000 31.83021 
1 1 1   71   19    4 o  228.559   31.749 24768.16  5732.85   0.0000   0.0000 24768.16  5732.85  ?   ?   228.559   31.749 0.000000 31.74856 
1 1 1   71   19    5 o  143.377   32.139 10004.06  3649.00   0.0000   0.0000 10004.06  3649.00  ?   ?   143.377   32.139 0.000000 32.13893 
1 1 1   71   19    6 o  124.722   32.164  7678.46  3278.36   0.0000   0.0000  7678.46  3278.36  ?   ?   124.722   32.164 0.000000 32.16377 
1 1 1   71   19    7 o  268.444   28.020 33611.51  6017.42 26443.93 12443.40 35799.29  6874.71  174.551   65.242  272.392   31.674 -97.84148 72.52406 
1 1 1   71   19    8 o  117.373   29.489  6763.19  2806.84 -7805.8042  8801.97  8412.41  2961.45   81.443   39.846  132.052   28.459 -50.60946 48.96530 
1 1 1   71   19    9 o  127.877   29.904  8146.87  3049.55 13163.04 10638.67  7697.81  3183.13  127.365   55.324  122.750   31.712 4.614296 63.76797 
1 1 1   71   19   10 o  238.637   26.601 27265.71  5066.60 37041.84 12620.65 25387.43  5531.95  190.716   66.427  224.120   31.249 -33.40417 73.40975 
1 1 1   71   19   11 o   94.521   26.984  4528.52  2173.30  3469.67 10423.98  4576.64  2222.13   96.186   46.159   94.788   27.354 1.397240 53.65532 
1 1 1   71   19   12 o   80.086   30.288  3311.01  2698.69 10579.93 11071.61  2851.86  2782.62  102.743   48.824   76.701   30.274 26.04254 57.44849 
1 1 1   71   19   13 o   82.596   31.453  3929.09  2922.83 -12531.3398 12183.48  4934.28  3010.75   73.918   37.592   90.278   32.353 -16.36015 49.59750 
1 1 1   71   21    0 o  165.638   41.381 14984.44  5549.33   0.0000   0.0000 14984.44  5549.33  ?   ?   165.638   41.381 0.000000 41.38085 
1 1 1   71   21    1 o  108.463   37.055  6045.88  3919.73   0.0000   0.0000  6045.88  3919.73  ?   ?   108.463   37.055 0.000000 37.05522 
1 1 1   71   21    2 o  178.669   35.952 16212.16  5035.10   0.0000   0.0000 16212.16  5035.10  ?   ?   178.669   35.952 0.000000 35.95222 
1 1 1   71   21    3 o  144.665   35.458 10739.10  4132.72   0.0000   0.0000 10739.10  4132.72  ?   ?   144.665   35.458 0.000000 35.45821 
1 1 1   71   21    4 o  130.600   35.062  8808.82  3796.23   0.0000   0.0000  8808.82  3796.23  ?   ?   130.600   35.062 0.000000 35.06199 
1 1 1   71   21    5 o   68.073   28.532  1089.08  2654.35   0.0000   0.0000  1089.08  2654.35  ?   ?    68.073   28.532 0.000000 28.53156 
1 1 1   71   21    6 o  208.020   32.301 21483.26  5278.93   0.0000   0.0000 21483.26  5278.93  ?   ?   208.020   32.301 0.000000 32.30139 
1 1 1   71   21    7 o  262.882   29.098 33424.63  6106.79 49154.30 13711.78 29532.61  6820.58  239.218   67.600  236.601   36.691 2.617279 76.91550 
1 1 1   71   21    8 o  114.858   32.570  6975.94  3177.35 19677.92 10587.47  5718.73  3330.88  143.259   58.194  103.099   34.151 40.16034 67.47443 
1 1 1   71   21    9 o   51.824   23.222 -283.9563  2018.41 -18081.8809  9872.37  492.448  2061.96   70.143   35.473   57.170   24.594 12.97270 43.16468 
1 1 1   71   21   10 o   36.288   17.762 -2868.3950  1754.65 -10355.7197 10289.23 -2644.1299  1780.74   76.445   38.337   37.434   18.229 39.01120 42.45031 
1 1 1   71   21   11 o   61.673   26.331  1066.15  2331.66  5390.81 11739.26  888.531  2379.06   92.491   45.409   60.883   26.304 31.60822 52.47697 
1 1 1   71   23    0 o   75.810   33.635  748.645  4125.96   0.0000   0.0000  748.645  4125.96  ?   ?    75.810   33.635 0.000000 33.63464 
1 1 1   71   23    1 o  133.014   41.797 10450.02  5030.70   0.0000   0.0000 10450.02  5030.70  ?   ?   133.014   41.797 0.000000 41.79729 
1 1 1   71   23    2 o  212.306   39.626 24674.50  6579.72   0.0000   0.0000 24674.50  6579.72  ?   ?   212.306   39.626 0.000000 39.62607 
1 1 1   71   23    3 o   33.275   16.756 -5975.1382  2072.32   0.0000   0.0000 -5975.1382  2072.32  ?   ?    33.275   16.756 0.000000 16.75625 
1 1 1   71   23    4 o  109.674   34.551  6459.24  3435.18   0.0000   0.0000  6459.24  3435.18  ?   ?   109.674   34.551 0.000000 34.55109 
1 1 1   71   23    5 o  104.280   35.917  5975.30  3684.89   0.0000   0.0000  5975.30  3684.89  ?   ?   104.280   35.917 0.000000 35.91738 
1 1 1   71   23    6 o  146.499   35.275 11744.32  4145.80   0.0000   0.0000 11744.32  4145.80  ?   ?   146.499   35.275 0.000000 35.27490 
1 1 1   71   23    7 o  121.305   36.818  8621.58  3944.02   0.0000   0.0000  8621.58  3944.02  ?   ?   121.305   36.818 0.000000 36.81784 
1 1 1   71   23    8 o   72.125   29.822  2036.12  2843.78  4482.86 12103.02  1893.15  2925.69   96.521   47.116   71.605   29.979 24.91608 55.84525 
1 1 1   71   23    9 o   50.535   22.978 -420.9283  2061.80  6795.96 12371.65 -627.0960  2091.04   95.381   46.785   49.783   22.827 45.59840 52.05645 
1 1 1   71   23   10 o   89.365   31.627  4734.48  2868.65   0.0000   0.0000  4734.48  2868.65  ?   ?    89.365   31.627 0.000000 31.62745 
1 1 1   71   25    0 o  112.239   43.520  8537.45  5665.87   0.0000   0.0000  8537.45  5665.87  ?   ?   112.239   43.520 0.000000 43.51987 
1 1 1   71   25    1 o   92.856   38.521  4561.94  4767.62   0.0000   0.0000  4561.94  4767.62  ?   ?    92.856   38.521 0.000000 38.52117 
1 1 1   71   25    2 o  157.294   43.657 15923.56  5772.78   0.0000   0.0000 15923.56  5772.78  ?   ?   157.294   43.657 0.000000 43.65696 
1 1 1   71   25    3 o  163.963   42.832 17012.30  5764.96   0.0000   0.0000 17012.30  5764.96  ?   ?   163.963   42.832 0.000000 42.83244 
1 1 1   71   25    4 o  190.023   42.894 22674.63  6461.35   0.0000   0.0000 22674.63  6461.35  ?   ?   190.023   42.894 0.000000 42.89418 
1 1 1   71   25    5 o  235.771   44.214 35787.35  8153.39   0.0000   0.0000 35787.35  8153.39  ?   ?   235.771   44.214 0.000000 44.21441 
1 1 1   71   25    6 o   67.502   30.049  875.578  3320.28   0.0000   0.0000  875.578  3320.28  ?   ?    67.502   30.049 0.000000 30.04885 
1 1 1   71   25    7 o   55.326   25.944 -1197.3400  2941.22   0.0000   0.0000 -1197.3400  2941.22  ?   ?    55.326   25.944 0.000000 25.94363 
1 1 1   71   25    8 o  135.353   40.485 13038.94  4794.51   0.0000   0.0000 13038.94  4794.51  ?   ?   135.353   40.485 0.000000 40.48502 
1 1 1   71   25    9 o   84.902   33.976  4760.38  3550.85   0.0000   0.0000  4760.38  3550.85  ?   ?    84.902   33.976 0.000000 33.97614 
1 1 1   71   27    1 o   75.778   34.900  1420.00  4962.90   0.0000   0.0000  1420.00  4962.90  ?   ?    75.778   34.900 0.000000 34.90049 
1 1 1   71   27    2 o  112.991   43.098 10156.44  5493.34   0.0000   0.0000 10156.44  5493.34  ?   ?   112.991   43.098 0.000000 43.09806 
1 1 1   71   27    3 o   62.258   29.248 -860.0237  3767.30   0.0000   0.0000 -860.0237  3767.30  ?   ?    62.258   29.248 0.000000 29.24761 
1 1 1   71   27    4 o   75.889   32.524  2760.62  3581.79   0.0000   0.0000  2760.62  3581.79  ?   ?    75.889   32.524 0.000000 32.52413 
1 1 1   71   27    5 o   89.478   35.730  5376.99  3917.56   0.0000   0.0000  5376.99  3917.56  ?   ?    89.478   35.730 0.000000 35.72980 
1 1 1   71   27    6 o   79.635   33.333  3848.00  3615.48   0.0000   0.0000  3848.00  3615.48  ?   ?    79.635   33.333 0.000000 33.33290 
1 1 1   71   27    7 o   86.349   34.864  5369.31  3775.28   0.0000   0.0000  5369.31  3775.28  ?   ?    86.349   34.864 0.000000 34.86397 
1 1 1   71   29    3 o   50.264   24.916 -4686.2148  3838.48   0.0000   0.0000 -4686.2148  3838.48  ?   ?    50.264   24.916 0.000000 24.91598 
1 1 1   71   29    4 o   80.069   36.328  5185.94  5118.45   0.0000   0.0000  5185.94  5118.45  ?   ?    80.069   36.328 0.000000 36.32822 
1 1 1   72    0    0 o  255.899   25.704 27907.50  5217.18   0.0000   0.0000 27907.50  5217.18  255.899   25.704  255.899   25.704 0.000000 0.000000 
1 1 1   72    0    1 o  248.423   24.677 26278.18  4864.96   0.0000   0.0000 26278.18  4864.96  248.423   24.677  248.423   24.677 0.000000 0.000000 
1 1 1   72    0    2 o  197.009   21.857 16591.35  3386.33   0.0000   0.0000 16591.35  3386.33  197.009   21.857  197.009   21.857 0.000000 0.000000 
1 1 1   72    0    3 o  186.658   20.653 14891.46  3032.25   0.0000   0.0000 14891.46  3032.25  186.658   20.653  186.658   20.653 0.000000 0.000000 
1 1 1   72    0    4 o   82.305   22.315  3337.72  1289.05   0.0000   0.0000  3337.72  1289.05   82.305   22.315   82.305   22.315 0.000000 0.000000 
1 1 1   72    0    5 o   24.047   15.224   93.809  639.760   0.0000   0.0000   93.809  639.760   24.047   15.224   24.047   15.224 0.000000 0.000000 
1 1 1   72    0    6 o  127.653   15.676  7000.22  1559.17 12664.08  4223.72  6106.64  1677.66  160.471   37.269  117.157   19.180 0.000000 0.000000 
1 1 1   72    0    7 o  288.016   18.665 34884.46  4322.88 42956.62  7968.11 31517.60  5146.04  310.029   32.468  270.558   23.851 0.000000 0.000000 
1 1 1   72    0    8 o  135.982   16.338  7969.11  1735.00  8978.91  4333.32  7776.33  1893.39  120.918   46.578  133.162   18.539 0.000000 0.000000 
1 1 1   72    0    9 o   56.723   36.037  1070.76  3619.21  1070.76  3619.21   0.0000   0.0000   56.723   36.037   56.723   36.037 0.000000 0.000000 
1 1 1   72    0   10 o   24.091   15.964 -178.9041  821.841 -704.6502  3291.37 -143.9453  848.725   46.192   31.026   24.822   16.373 0.000000 0.000000 
1 1 1   72    0   11 o   16.624   11.714 -707.7360  625.018 -616.5418  3501.89 -710.7366  635.217   47.545   31.955   16.808   11.836 0.000000 0.000000 
1 1 1   72    0   12 o   68.861   26.253  2769.87  1382.43 -1045.7220  4158.87  3243.84  1465.78   49.422   33.673   76.144   26.310 0.000000 0.000000 
1 1 1   72    0   13 o   22.531   15.533 -639.2440  945.800  3365.74  3574.81 -940.6899  980.748   66.912   39.205   21.405   14.996 0.000000 0.000000 
1 1 1   72    0   14 o  129.749   19.546  7728.59  1921.19  6691.57  5263.29  7888.00  2063.57   82.674   47.953  129.863   21.290 0.000000 0.000000 
1 1 1   72    0   15 o   67.022   27.213  2859.40  1451.63 -11943.2900  5317.17  4051.54  1508.95   35.036   25.820   86.670   24.741 0.000000 0.000000 
1 1 1   72    0   16 o  178.572   22.732 15480.62  3150.38  3012.09  8481.19 17476.38  3393.15   59.805   42.337  189.789   22.904 0.000000 0.000000 
1 1 1   72    2    0 o  197.642   15.756 16164.47  2507.56 16507.01  3432.37 15772.39  3672.22  198.101   21.693  192.857   23.968 5.243927 32.32719 
1 1 1   72    2    1 o  276.615   17.611 31707.73  3934.83 32608.81  5441.01 30719.79  5697.22  278.010   24.349  268.879   26.437 9.130859 35.94175 
1 1 1   72    2    2 o  208.764   14.978 18008.92  2522.04 18209.66  3415.28 17768.15  3740.25  208.383   20.448  205.011   22.858 3.371582 30.66970 
1 1 1   72    2    3 o   76.349   13.907  2466.88  830.369  2386.34  1063.42  2592.71  1329.18   74.488   17.821   77.548   20.716 -3.059853 27.32703 
1 1 1   72    2    4 o  165.868   12.894 11358.99  1722.90 11495.89  2311.52 11187.88  2584.34  165.745   17.437  162.735   19.978 3.009537 26.51751 
1 1 1   72    2    5 o  107.063   11.742  4754.77  1004.01  5221.94  1306.69  4081.43  1568.75  111.604   14.783   97.066   20.545 14.53755 25.31087 
1 1 1   72    2    6 o  225.249   12.133 20896.86  2210.95 19932.64  3049.74 21965.03  3209.92  218.353   17.344  229.265   17.372 -10.91264 24.54836 
1 1 1   72    2    7 o   58.269   15.672  1455.26  757.634  1311.39  777.687  4137.53  3357.96   55.646   16.218   98.831   34.273 -43.18457 37.91653 
1 1 1   72    2    8 o  122.615   10.621  6212.33  1046.95  6358.05  1444.97  6051.29  1519.04  123.080   14.753  119.681   16.035 3.399261 21.78901 
1 1 1   72    2    9 o   18.662   9.0752 -766.0323  437.146  296.246  557.087 -2468.3340  705.215   34.616   13.583   18.551   9.3931 16.06461 16.51468 
1 1 1   72    2   10 o  229.471   16.065 22089.34  2974.46 20044.94  6732.84 22585.11  3315.56  200.443   42.677  231.208   17.798 -30.76430 46.23950 
1 1 1   72    2   11 o  183.652   11.902 13988.00  1765.22 14812.36  2499.22 13167.34  2493.59  187.180   16.617  175.935   17.696 11.24487 24.27451 
1 1 1   72    2   12 o   44.730   15.964  734.383  732.337  455.008  1038.98  1010.24  1032.41   45.466   18.313   52.388   18.925 -6.921551 26.33496 
1 1 1   72    2   13 o   86.482   13.543  3193.30  919.800  2799.54  1310.00  3576.19  1291.78   79.002   20.310   90.038   18.293 -11.03589 27.33371 
1 1 1   72    2   14 o   30.262   14.124 -750.8806  854.917 -2478.7061  1157.32  1324.41  1268.36   28.065   13.870   58.169   20.982 -30.10398 25.15167 
1 1 1   72    2   15 o   39.285   16.480  189.488  886.878 -337.9911  1249.25  725.473  1259.28   41.003   18.329   50.698   20.253 -9.695293 27.31535 
1 1 1   72    2   16 o  134.148   14.432  7808.68  1547.22  7155.66  2123.67  8547.44  2258.78  123.389   22.004  135.709   21.191 -12.31980 30.54901 
1 1 1   72    4    0 o  310.647   12.317 39509.89  3106.70 36371.34  3603.23 48602.08  6132.83  297.092   14.985  340.634   22.297 -43.54199 26.86434 
1 1 1   72    4    1 o  114.604   13.671  5463.18  1247.02  6147.06  1531.60  4118.24  2147.86  121.171   15.955   97.163   26.495 24.00737 30.92791 
1 1 1   72    4    2 o  380.590   21.729 60660.01  6686.93 64942.16  9146.27 55742.71  9801.14  389.168   29.157  356.839   34.248 32.32999 44.97805 
1 1 1   72    4    3 o  221.453   14.410 20258.50  2577.03 19089.64  3357.09 21935.45  4021.07  213.383   19.595  227.954   21.998 -14.57121 29.45965 
1 1 1   72    4    4 o  199.950   13.316 16501.84  2149.53 14791.33  2794.46 18980.52  3363.92  187.780   18.571  212.522   19.719 -24.74202 27.08720 
1 1 1   72    4    5 o  373.635   29.121 60604.44  8765.02 60604.44  8765.02   0.0000   0.0000  373.635   29.121  ?   ?  0.000000 29.12131 
1 1 1   72    4    6 o  146.734   11.183  8880.23  1322.32  8924.56  1750.96  8821.40  2017.27  146.212   14.959  144.622   17.537 1.590576 23.05094 
1 1 1   72    4    7 o   73.816   13.162  2310.39  759.966  2215.22  926.837  2505.68  1327.63   71.661   16.297   75.896   20.886 -4.234863 26.49200 
1 1 1   72    4    8 o  174.894   11.539 12628.56  1629.46 13011.50  2226.34 12186.77  2391.31  176.305   15.717  169.938   17.585 6.367004 23.58475 
1 1 1   72    4    9 o  109.642   10.982  4989.17  964.576  3978.42  1282.78  6304.22  1463.19   96.239   17.039  122.325   15.049 -26.08587 22.73338 
1 1 1   72    4   10 f   35.548   13.915  321.335  583.479  861.981  771.286 -402.0821  892.182   47.471   16.428   34.136   15.357 13.33524 22.48763 
1 1 1   72    4   11 o  108.293   18.022  5072.19  1529.02 -1348.3950  5131.90  5697.68  1601.77   79.193   36.102  115.021   17.720 -35.82804 40.21620 
1 1 1   72    4   12 o  221.882   12.905 20527.90  2314.85 21518.70  3294.32 19561.54  3253.44  224.301   18.246  213.357   18.978 10.94386 26.32690 
1 1 1   72    4   13 o  160.844   11.738 10794.75  1522.41 10210.79  2130.83 11403.69  2175.92  153.990   17.344  163.175   16.656 -9.184814 24.04670 
1 1 1   72    4   14 o   51.520   16.427  1124.74  774.682  1362.20  1043.69  833.404  1156.04   56.989   19.123   51.011   19.692 5.978539 27.44886 
1 1 1   72    4   15 o   82.896   14.801  3009.14  959.717  2862.50  1270.38  3204.10  1464.78   78.902   19.847   82.854   21.564 -3.951553 29.30766 
1 1 1   72    4   16 o   42.503   17.118  465.643  907.577 -1378.1021  1149.21  3521.36  1479.47   32.305   15.456   86.064   21.289 -53.75860 26.30808 
1 1 1   72    6    2 o  294.442   27.892 37274.35  6588.82   0.0000   0.0000 37274.35  6588.82  ?   ?   294.442   27.892 0.000000 27.89197 
1 1 1   72    6    3 o  120.407   22.966  6285.09  2163.34   0.0000   0.0000  6285.09  2163.34  ?   ?   120.407   22.966 0.000000 22.96568 
1 1 1   72    6    4 o   67.298   12.248  1915.50  644.628  1443.29  726.750  3657.81  1395.99   58.069   15.226   92.021   19.300 -33.95181 24.58287 
1 1 1   72    6    5 o  353.031   19.387 52270.41  5535.85 50128.62  7509.86 54819.19  8192.35  340.345   27.408  354.977   28.668 -14.63107 39.66114 
1 1 1   72    6    6 o  368.634   18.257 56752.37  5464.53 55907.36  6860.35 58219.12  9038.42  361.956   23.469  363.009   30.961 -1.052765 38.85047 
1 1 1   72    6    7 o  217.884   12.759 19627.27  2247.48 21216.40  3033.55 17693.65  3346.24  225.142   16.713  203.942   20.484 21.19997 26.43766 
1 1 1   72    6    8 o  133.672   11.753  7408.44  1262.69  7316.48  1560.81  7582.65  2148.12  132.032   14.815  132.507   20.638 -0.4746246 25.40431 
1 1 1   72    6    9 o  153.473   11.354  9747.10  1404.79 10486.13  1873.16  8797.16  2123.70  158.215   14.751  143.445   18.676 14.77013 23.79912 
1 1 1   72    6   10 o   47.341   15.361  910.999  675.185  1188.16  842.424  413.168  1129.03   53.580   17.135   46.591   18.973 6.989140 25.56536 
1 1 1   72    6   11 o  118.267   11.265  5823.47  1068.73  5254.99  1414.51  6579.68  1631.43  110.819   16.198  124.080   16.610 -13.26125 23.20061 
1 1 1   72    6   12 o   59.748   19.998  1477.57  1141.39 -1799.6210  4780.65  1675.68  1175.38   73.959   34.131   62.756   20.258 11.20255 39.68990 
1 1 1   72    6   13 o   96.561   12.710  3951.84  972.286  3117.62  1245.56  5253.03  1555.59   83.619   18.802  109.465   18.137 -25.84652 26.12356 
1 1 1   72    6   14 o  168.318   12.248 11913.20  1662.39 10118.22  2245.64 14089.46  2472.67  151.661   18.627  180.286   17.096 -28.62450 25.28337 
1 1 1   72    6   15 o   55.334   16.447  1354.47  793.152  835.419  995.544  2256.45  1312.36   48.674   18.399   69.919   21.242 -21.24491 28.10240 
1 1 1   72    6   16 o  127.904   12.743  7031.82  1305.78  6065.98  1701.68  8414.97  2036.37  115.055   18.870  135.742   18.996 -20.68718 26.77533 
1 1 1   72    8    0 o  136.166   28.711  8218.45  3074.42   0.0000   0.0000  8218.45  3074.42  ?   ?   136.166   28.711 0.000000 28.71138 
1 1 1   72    8    1 o  122.638   25.740  6606.24  2481.46   0.0000   0.0000  6606.24  2481.46  ?   ?   122.638   25.740 0.000000 25.74011 
1 1 1   72    8    2 o  198.664   24.537 16948.05  3873.97   0.0000   0.0000 16948.05  3873.97  ?   ?   198.664   24.537 0.000000 24.53730 
1 1 1   72    8    3 o   97.461   26.012  4199.88  2096.80   0.0000   0.0000  4199.88  2096.80  ?   ?    97.461   26.012 0.000000 26.01155 
1 1 1   72    8    4 o  172.848   23.242 12858.93  3179.33   0.0000   0.0000 12858.93  3179.33  ?   ?   172.848   23.242 0.000000 23.24237 
1 1 1   72    8    5 o  332.905   29.807 48751.82  7971.68   0.0000   0.0000 48751.82  7971.68  ?   ?   332.905   29.807 0.000000 29.80666 
1 1 1   72    8    6 o  281.428   14.555 32864.80  3314.63 32356.84  4122.60 33793.56  5574.49  277.459   18.404  279.778   24.796 -2.319214 30.87919 
1 1 1   72    8    7 o  167.761   10.764 11602.32  1458.51 10972.48  1855.51 12620.67  2359.37  162.200   14.233  173.100   17.006 -10.90041 22.17598 
1 1 1   72    8    8 o  383.834   16.525 61550.90  5150.06 64853.27  7148.85 57987.89  7425.60  388.557   22.758  365.099   25.203 23.45770 33.95776 
1 1 1   72    8    9 o  134.235   10.735  7457.98  1160.24  5716.30  1385.96 11537.55  2121.16  116.266   15.033  165.455   15.988 -49.18859 21.94585 
1 1 1   72    8   10 o  169.106   11.495 11855.78  1568.96 10617.30  2053.69 13591.93  2431.55  158.362   16.199  179.041   16.927 -20.67931 23.42944 
1 1 1   72    8   11 o  190.736   11.528 15098.48  1777.02 13504.11  2379.78 17107.92  2671.65  178.247   16.635  200.839   16.530 -22.59198 23.45117 
1 1 1   72    8   12 o   57.840   15.135  1458.92  719.041  1862.64  843.017  381.056  1377.44   65.160   16.041   49.621   20.655 15.53930 26.15259 
1 1 1   72    8   13 o   28.889   12.886 -217.8065  613.859   74.961  729.189 -930.0433  1137.34   35.015   14.829   35.119   16.358 -0.1040382 22.07907 
1 1 1   72    8   14 o  166.718   11.604 11671.95  1561.07  9718.42  2032.51 14482.01  2437.70  149.183   17.087  182.744   16.610 -33.56094 23.83002 
1 1 1   72    8   15 o   39.862   15.462  483.413  715.455  614.086  800.796 -33.5059  1592.72   43.051   16.447   48.060   21.128 -5.008389 26.77515 
1 1 1   72    8   16 o   78.062   15.459  2744.25  945.205  2520.12  1105.82  3352.12  1821.10   73.358   18.553   81.313   25.082 -7.955040 31.19819 
1 1 1   72   10    0 o   69.573   26.784  1498.28  2134.03   0.0000   0.0000  1498.28  2134.03  ?   ?    69.573   26.784 0.000000 26.78358 
1 1 1   72   10    1 o  148.724   28.070  9812.24  3265.39   0.0000   0.0000  9812.24  3265.39  ?   ?   148.724   28.070 0.000000 28.06956 
1 1 1   72   10    2 o  265.769   27.715 30779.36  5892.86   0.0000   0.0000 30779.36  5892.86  ?   ?   265.769   27.715 0.000000 27.71538 
1 1 1   72   10    3 o  234.935   26.186 23977.26  4910.28   0.0000   0.0000 23977.26  4910.28  ?   ?   234.935   26.186 0.000000 26.18627 
1 1 1   72   10    4 o  187.670   24.593 15290.00  3657.31   0.0000   0.0000 15290.00  3657.31  ?   ?   187.670   24.593 0.000000 24.59283 
1 1 1   72   10    5 o  145.448   23.929  9250.67  2727.74   0.0000   0.0000  9250.67  2727.74  ?   ?   145.448   23.929 0.000000 23.92944 
1 1 1   72   10    6 o  224.609   20.418 21490.00  3683.11 29243.82  7524.04 19046.49  4223.77  248.891   38.472  208.681   25.455 40.21042 46.13059 
1 1 1   72   10    7 o  248.009   11.930 25352.01  2402.44 23055.22  2895.36 30428.38  4304.46  234.933   15.261  267.472   19.964 -32.53856 25.12864 
1 1 1   72   10    8 o  383.798   15.730 61502.59  4901.82 62876.75  6709.75 59929.73  7178.40  382.825   21.675  371.562   23.921 11.26346 32.27989 
1 1 1   72   10    9 o  154.400   10.488  9854.29  1307.04  9316.94  1601.34 10926.78  2262.29  149.284   13.352  160.101   17.699 -10.81729 22.17007 
1 1 1   72   10   10 o  100.762   10.281  4223.04  829.333  3632.05  924.223  6665.90  1879.04   92.791   12.592  123.760   19.331 -30.96925 23.07049 
1 1 1   72   10   11 o   25.553   10.693   52.397  371.888   42.398  394.520  132.124  1114.01   26.086   10.970   43.216   18.317 -17.13012 21.35105 
1 1 1   72   10   12 o   90.605   10.974  3448.95  790.844  3690.88  916.374  2742.91  1565.47   93.357   12.395   77.712   23.109 15.64513 26.22324 
1 1 1   72   10   13 o  110.498   20.977  5535.27  1813.23  2769.37  7102.56  5728.10  1875.37   96.562   43.395  112.249   21.357 -15.68702 48.36556 
1 1 1   72   10   14 o   93.341   11.605  3703.34  860.525  3474.47  996.698  4373.46  1705.49   89.394   14.207   96.531   22.220 -7.137230 26.37319 
1 1 1   72   10   15 f   71.523   14.123  2264.52  791.094  2525.64  905.147  1419.80  1627.98   75.128   15.357   60.411   23.355 14.71690 27.95126 
1 1 1   72   12    0 o  330.277   33.777 49356.65  8930.79   0.0000   0.0000 49356.65  8930.79  ?   ?   330.277   33.777 0.000000 33.77747 
1 1 1   72   12    1 o  348.801   33.790 55032.35  9449.90   0.0000   0.0000 55032.35  9449.90  ?   ?   348.801   33.790 0.000000 33.79018 
1 1 1   72   12    2 o   75.469   26.540  2258.11  2016.92   0.0000   0.0000  2258.11  2016.92  ?   ?    75.469   26.540 0.000000 26.53973 
1 1 1   72   12    3 o  232.610   27.624 23850.00  5115.43   0.0000   0.0000 23850.00  5115.43  ?   ?   232.610   27.624 0.000000 27.62415 
1 1 1   72   12    4 o  227.324   26.616 22711.05  4819.81   0.0000   0.0000 22711.05  4819.81  ?   ?   227.324   26.616 0.000000 26.61616 
1 1 1   72   12    5 o   79.986   26.041  2741.89  1939.82   0.0000   0.0000  2741.89  1939.82  ?   ?    79.986   26.041 0.000000 26.04100 
1 1 1   72   12    6 o  232.139   22.136 23238.61  4121.84 21268.55  8067.23 23934.60  4794.96  199.645   49.902  233.279   25.743 -33.63390 56.15114 
1 1 1   72   12    7 o  ?   ?  -3064.4299  694.716 -8337.8916  4810.78 -2952.1169  702.075   58.946   28.966  ?   ?  0.000000 28.96587 
1 1 1   72   12    8 o  142.973   21.936  8964.62  2465.23 10976.77  6217.96  8589.34  2685.29  142.982   46.627  138.533   24.782 4.449539 52.80352 
1 1 1   72   12    9 f  109.839   21.657  5363.62  1862.88 -2001.2200  6771.87  5966.59  1937.64   87.116   40.349  116.131   21.335 -29.01587 45.64264 
1 1 1   72   12   10 o  135.614   9.1368  7593.58  1000.22  6549.47  1160.63 10607.18  1971.81  125.259   11.541  158.091   15.563 -32.83201 19.37534 
1 1 1   72   12   11 o   36.243   10.361  556.276  320.213  404.552  327.138  4026.76  1564.58   32.102   10.706   94.527   20.937 -62.42478 23.51501 
1 1 1   72   12   12 o   89.286   9.5471  3329.15  681.410  3290.62  744.806  3527.01  1687.82   88.485   10.576   87.110   23.376 1.375076 25.65705 
1 1 1   72   12   13 o   65.554   10.187  1824.99  524.619  1656.16  559.897  3039.49  1501.69   62.014   11.544   80.654   22.221 -18.64046 25.04044 
1 1 1   72   12   14 o   76.198   10.508  2469.68  632.836  2475.58  697.329  2442.11  1506.67   75.893   11.691   71.982   22.904 3.911049 25.71545 
1 1 1   72   12   15 o   18.981   8.9596 -391.2063  361.139 -483.3570  373.006  988.401  1443.26   18.520   8.8457   54.139   21.663 -35.61848 23.39898 
1 1 1   72   14    0 o  205.269   31.439 19221.34  5073.07   0.0000   0.0000 19221.34  5073.07  ?   ?   205.269   31.439 0.000000 31.43882 
1 1 1   72   14    1 o  100.067   30.811  4554.54  2749.46   0.0000   0.0000  4554.54  2749.46  ?   ?   100.067   30.811 0.000000 30.81147 
1 1 1   72   14    2 o   61.948   25.170  852.360  1981.14   0.0000   0.0000  852.360  1981.14  ?   ?    61.948   25.170 0.000000 25.16959 
1 1 1   72   14    3 o   89.142   28.487  3515.87  2328.77   0.0000   0.0000  3515.87  2328.77  ?   ?    89.142   28.487 0.000000 28.48697 
1 1 1   72   14    4 o   89.700   28.175  3588.66  2286.12   0.0000   0.0000  3588.66  2286.12  ?   ?    89.700   28.175 0.000000 28.17458 
1 1 1   72   14    5 o  186.974   25.977 15540.85  3837.23   0.0000   0.0000 15540.85  3837.23  ?   ?   186.974   25.977 0.000000 25.97723 
1 1 1   72   14    6 o  240.400   23.126 25200.55  4458.40 27584.20  8884.92 24398.36  5154.29  225.952   49.773  233.061   27.785 -7.109482 57.00278 
1 1 1   72   14    7 o  109.574   25.507  5473.55  2226.84  8736.68  6145.21  4980.29  2389.23  128.993   46.222  103.726   27.802 25.26691 53.93944 
1 1 1   72   14    8 o   81.444   25.649  2964.21  1893.28  2201.36  5970.08  3049.51  1996.32   96.088   41.591   82.594   26.373 13.49467 49.24764 
1 1 1   72   14    9 o   74.329   25.615  2356.96  1874.26 14921.30  6307.13  1139.96  1962.94  163.464   45.727   63.244   25.278 100.2199 52.24856 
1 1 1   72   14   10 o   99.217   21.822  4460.83  1710.21 -4368.9839  7894.49  4895.62  1751.81   85.062   40.646  104.232   21.415 -19.16953 45.94249 
1 1 1   72   14   11 o   34.903   16.538 -1346.3690  1252.55 -2665.8110  6668.86 -1298.1219  1275.24   81.051   38.333   35.588   16.810 45.46245 41.85650 
1 1 1   72   14   12 o   79.287   25.681  2953.64  1887.80  2985.98  7895.05  2951.67  1944.19   97.354   44.534   79.305   26.083 18.04873 51.60997 
1 1 1   72   14   13 o   94.661   24.305  4348.83  1877.77 17695.08  8793.06  3711.10  1922.11  140.797   54.321   86.886   25.547 53.91116 60.02836 
1 1 1   72   14   14 o  119.989   23.312  6979.26  2189.42 10149.05 10072.82  6822.07  2243.04  104.429   48.654  117.809   24.257 -13.37964 54.36565 
1 1 1   72   16    0 o   79.959   31.443  2141.65  2991.12   0.0000   0.0000  2141.65  2991.12  ?   ?    79.959   31.443 0.000000 31.44291 
1 1 1   72   16    1 o   70.961   28.572  1376.93  2527.99   0.0000   0.0000  1376.93  2527.99  ?   ?    70.961   28.572 0.000000 28.57200 
1 1 1   72   16    2 f  113.918   31.287  6116.17  2982.60   0.0000   0.0000  6116.17  2982.60  ?   ?   113.918   31.287 0.000000 31.28720 
1 1 1   72   16    3 o  201.221   29.296 18471.55  4646.02   0.0000   0.0000 18471.55  4646.02  ?   ?   201.221   29.296 0.000000 29.29589 
1 1 1   72   16    4 o  132.446   30.070  8208.02  3159.88   0.0000   0.0000  8208.02  3159.88  ?   ?   132.446   30.070 0.000000 30.06981 
1 1 1   72   16    5 o   33.321   16.311 -2726.8679  1480.71   0.0000   0.0000 -2726.8679  1480.71  ?   ?    33.321   16.311 0.000000 16.31081 
1 1 1   72   16    6 o   51.992   22.674 -103.8493  1801.94  3854.41  6019.49 -493.4666  1888.54  103.087   43.068   50.665   22.600 52.42276 48.63723 
1 1 1   72   16    7 o   88.048   27.788  3551.30  2221.21 10552.10  6764.60  2705.25  2351.60  135.755   48.512   80.005   28.601 55.74995 56.31523 
1 1 1   72   16    8 o   81.929   27.122  3020.01  2100.99  6245.03  6914.16  2691.93  2205.26  113.299   46.638   78.920   27.751 34.37936 54.27013 
1 1 1   72   16    9 o  119.970   26.944  6789.22  2560.44  7186.51  7867.49  6742.16  2707.85  116.142   48.922  118.639   28.472 -2.497131 56.60435 
1 1 1   72   16   10 o  152.223   25.690 10804.03  3062.28  9265.49  8932.67 11008.92  3259.82  120.612   51.518  152.426   27.344 -31.81332 58.32465 
1 1 1   72   16   11 o   96.350   26.086  4497.33  2090.88 19092.14  8890.75  3642.88  2151.21  154.939   55.589   86.707   27.345 68.23228 61.95041 
1 1 1   72   16   12 o  109.289   28.317  6065.18  2533.22  4481.26  9569.49  6184.54  2626.94   99.309   46.641  109.827   29.021 -10.51826 54.93293 
1 1 1   72   16   13 f   43.787   20.413 -1106.0129  1777.49 20657.84  9556.25 -1885.9670  1809.06  137.600   55.500   40.675   19.442 96.92542 58.80648 
1 1 1   72   18    0 o   94.415   34.946  3920.92  3553.03   0.0000   0.0000  3920.92  3553.03  ?   ?    94.415   34.946 0.000000 34.94630 
1 1 1   72   18    1 o  109.687   34.691  5866.12  3460.41   0.0000   0.0000  5866.12  3460.41  ?   ?   109.687   34.691 0.000000 34.69088 
1 1 1   72   18    2 o  232.954   32.267 25605.90  5939.41   0.0000   0.0000 25605.90  5939.41  ?   ?   232.954   32.267 0.000000 32.26672 
1 1 1   72   18    3 o   84.525   30.566  3041.69  2694.31   0.0000   0.0000  3041.69  2694.31  ?   ?    84.525   30.566 0.000000 30.56640 
1 1 1   72   18    4 o  148.503   29.885 10397.96  3478.71   0.0000   0.0000 10397.96  3478.71  ?   ?   148.503   29.885 0.000000 29.88466 
1 1 1   72   18    5 o   93.916   31.087  4124.23  2760.15   0.0000   0.0000  4124.23  2760.15  ?   ?    93.916   31.087 0.000000 31.08677 
1 1 1   72   18    6 o   74.033   28.474  2035.79  2410.23   0.0000   0.0000  2035.79  2410.23  ?   ?    74.033   28.474 0.000000 28.47391 
1 1 1   72   18    7 f  231.693   27.524 24872.54  5076.65  9710.30 11135.57 28850.68  5703.88  125.918   55.590  248.225   28.837 -122.3064 62.62496 
1 1 1   72   18    8 o   71.130   26.794  1996.13  2106.75 -7297.8999  7885.22  2710.57  2186.23   78.442   38.234   78.249   27.619 0.1930389 47.16600 
1 1 1   72   18    9 o   84.794   28.566  3408.13  2329.08 -543.6731  8557.21  3724.30  2420.46   92.351   43.599   87.941   29.111 4.409882 52.42423 
1 1 1   72   18   10 o  197.542   28.519 19017.93  4441.95 -1345.4310 11546.88 22554.81  4812.27   95.870   46.625  215.720   28.145 -119.8500 54.46092 
1 1 1   72   18   11 o  123.189   31.449  8050.78  3156.51 16495.74 10603.34  7229.62  3306.41  126.445   55.077  114.524   33.459 11.92095 64.44343 
1 1 1   72   18   12 o   52.770   23.430   16.811  2005.86 17931.65 10380.04 -678.1265  2044.40  122.869   53.979   49.308   22.595 73.56049 58.51726 
1 1 1   72   18   13 o   67.575   26.730  2060.78  2173.45 -16347.6396 11531.44  2738.83  2213.12   70.979   36.144   73.503   27.506 -2.523827 45.41970 
1 1 1   72   20    0 o  155.927   37.776 12644.29  4732.31   0.0000   0.0000 12644.29  4732.31  ?   ?   155.927   37.776 0.000000 37.77592 
1 1 1   72   20    1 o   53.296   24.190 -847.7747  2271.99   0.0000   0.0000 -847.7747  2271.99  ?   ?    53.296   24.190 0.000000 24.18954 
1 1 1   72   20    2 o   92.949   33.408  4012.93  3212.55   0.0000   0.0000  4012.93  3212.55  ?   ?    92.949   33.408 0.000000 33.40806 
1 1 1   72   20    3 o  187.391   33.994 17348.42  4981.83   0.0000   0.0000 17348.42  4981.83  ?   ?   187.391   33.994 0.000000 33.99353 
1 1 1   72   20    4 o  182.728   33.649 16518.90  4808.48   0.0000   0.0000 16518.90  4808.48  ?   ?   182.728   33.649 0.000000 33.64869 
1 1 1   72   20    5 o   74.967   28.363  2249.81  2367.04   0.0000   0.0000  2249.81  2367.04  ?   ?    74.967   28.363 0.000000 28.36302 
1 1 1   72   20    6 o  118.084   33.937  7191.52  3426.72   0.0000   0.0000  7191.52  3426.72  ?   ?   118.084   33.937 0.000000 33.93700 
1 1 1   72   20    7 o  162.404   30.233 12948.53  3840.03 17872.09 10691.22 12219.27  4114.60  143.949   58.476  154.297   33.779 -10.34822 67.53156 
1 1 1   72   20    8 o  126.076   31.508  8157.48  3216.52  8338.81 10441.58  8138.47  3380.93  112.949   51.493  124.675   32.914 -11.72540 61.11325 
1 1 1   72   20    9 f   95.425   30.623  4722.53  2688.91 -9045.2412 11694.25  5491.06  2762.94   85.159   42.424  102.504   30.750 -17.34496 52.39647 
1 1 1   72   20   10 o  128.601   29.941  8651.16  3067.98 17812.80 11683.40  7972.63  3179.56  122.732   55.359  121.241   31.876 1.490700 63.88023 
1 1 1   72   20   11 o   43.536   20.992 -2488.8369  2216.16 -11430.0303 10831.81 -2098.2061  2264.05   75.214   37.930   45.505   21.750 29.70886 43.72374 
1 1 1   72   20   12 o   62.207   27.246  967.846  2626.79  2206.24 12520.29  910.826  2686.58   85.886   42.957   62.261   27.404 23.62574 50.95440 
1 1 1   72   22    0 o   92.654   37.495  3847.92  4377.35   0.0000   0.0000  3847.92  4377.35  ?   ?    92.654   37.495 0.000000 37.49514 
1 1 1   72   22    1 o  163.466   41.548 15125.18  5526.29   0.0000   0.0000 15125.18  5526.29  ?   ?   163.466   41.548 0.000000 41.54765 
1 1 1   72   22    2 o   88.027   34.076  3492.71  3469.36   0.0000   0.0000  3492.71  3469.36  ?   ?    88.027   34.076 0.000000 34.07635 
1 1 1   72   22    3 o   94.604   34.702  4440.59  3490.58   0.0000   0.0000  4440.59  3490.58  ?   ?    94.604   34.702 0.000000 34.70211 
1 1 1   72   22    4 o  174.378   37.041 16237.79  5082.77   0.0000   0.0000 16237.79  5082.77  ?   ?   174.378   37.041 0.000000 37.04144 
1 1 1   72   22    5 o   90.220   33.668  3984.42  3311.13   0.0000   0.0000  3984.42  3311.13  ?   ?    90.220   33.668 0.000000 33.66775 
1 1 1   72   22    6 o   50.541   23.699 -1691.1890  2454.10   0.0000   0.0000 -1691.1890  2454.10  ?   ?    50.541   23.699 0.000000 23.69926 
1 1 1   72   22    7 o   98.390   34.427  5287.91  3391.91   0.0000   0.0000  5287.91  3391.91  ?   ?    98.390   34.427 0.000000 34.42737 
1 1 1   72   22    8 o  111.661   33.970  7042.55  3354.64 -2600.3240 12252.08  7824.03  3487.92   90.255   44.699  117.478   34.377 -27.22289 56.38983 
1 1 1   72   22    9 o  107.298   31.993  6479.51  2997.51 10599.26 12785.24  6239.89  3083.45  102.814   49.780  104.494   32.705 -1.679878 59.56250 
1 1 1   72   22   10 o  168.892   34.058 16502.16  4509.38 17237.40 14920.92 16428.26  4730.59  102.753   50.594  164.887   36.315 -62.13415 62.27792 
1 1 1   72   24    0 o   88.988   37.967  3500.76  4841.78   0.0000   0.0000  3500.76  4841.78  ?   ?    88.988   37.967 0.000000 37.96749 
1 1 1   72   24    1 o  116.064   39.808  8158.56  4524.21   0.0000   0.0000  8158.56  4524.21  ?   ?   116.064   39.808 0.000000 39.80844 
1 1 1   72   24    2 o   85.921   35.107  3378.79  3881.93   0.0000   0.0000  3378.79  3881.93  ?   ?    85.921   35.107 0.000000 35.10743 
1 1 1   72   24    3 o  105.820   38.164  6581.88  4196.01   0.0000   0.0000  6581.88  4196.01  ?   ?   105.820   38.164 0.000000 38.16385 
1 1 1   72   24    4 o  173.297   41.268 18118.63  5723.58   0.0000   0.0000 18118.63  5723.58  ?   ?   173.297   41.268 0.000000 41.26776 
1 1 1   72   24    5 o  172.595   40.944 18159.97  5651.28   0.0000   0.0000 18159.97  5651.28  ?   ?   172.595   40.944 0.000000 40.94363 
1 1 1   72   24    6 o   96.336   34.392  5351.46  3399.01   0.0000   0.0000  5351.46  3399.01  ?   ?    96.336   34.392 0.000000 34.39153 
1 1 1   72   24    7 f  194.384   41.367 24067.54  6328.58   0.0000   0.0000 24067.54  6328.58  ?   ?   194.384   41.367 0.000000 41.36678 
1 1 1   72   24    8 o  141.992   38.119 12970.11  4487.09 12248.26 15727.79 13034.07  4681.67   96.835   48.390  139.729   39.505 -42.89445 62.46824 
1 1 1   72   24    9 o   80.636   32.634  3810.19  3316.27   0.0000   0.0000  3810.19  3316.27  ?   ?    80.636   32.634 0.000000 32.63428 
1 1 1   72   26    0 o   80.274   36.601  2074.93  5277.82   0.0000   0.0000  2074.93  5277.82  ?   ?    80.274   36.601 0.000000 36.60146 
1 1 1   72   26    1 o   84.602   37.354  3418.99  5029.34   0.0000   0.0000  3418.99  5029.34  ?   ?    84.602   37.354 0.000000 37.35427 
1 1 1   72   26    2 o  106.678   41.140  8101.40  5041.87   0.0000   0.0000  8101.40  5041.87  ?   ?   106.678   41.140 0.000000 41.14008 
1 1 1   72   26    3 o   78.776   33.034  2956.60  3561.17   0.0000   0.0000  2956.60  3561.17  ?   ?    78.776   33.034 0.000000 33.03405 
1 1 1   72   26    4 o  109.856   40.992  8870.34  4908.24   0.0000   0.0000  8870.34  4908.24  ?   ?   109.856   40.992 0.000000 40.99190 
1 1 1   72   26    5 o  103.230   39.625  7810.54  4662.03   0.0000   0.0000  7810.54  4662.03  ?   ?   103.230   39.625 0.000000 39.62511 
1 1 1   72   26    6 f  112.009   41.045  9865.26  4881.57   0.0000   0.0000  9865.26  4881.57  ?   ?   112.009   41.045 0.000000 41.04543 
1 1 1   72   26    7 o   47.234   23.088 -3353.4951  2934.28   0.0000   0.0000 -3353.4951  2934.28  ?   ?    47.234   23.088 0.000000 23.08766 
1 1 1   72   28    1 o   93.686   41.681  8326.50  6378.86   0.0000   0.0000  8326.50  6378.86  ?   ?    93.686   41.681 0.000000 41.68115 
1 1 1   72   28    2 o  100.334   42.273  9665.90  5876.49   0.0000   0.0000  9665.90  5876.49  ?   ?   100.334   42.273 0.000000 42.27314 
1 1 1   72   28    3 o   83.348   37.046  5051.29  5027.21   0.0000   0.0000  5051.29  5027.21  ?   ?    83.348   37.046 0.000000 37.04575 
1 1 1   72   28    4 o   79.113   35.606  4165.69  4802.55   0.0000   0.0000  4165.69  4802.55  ?   ?    79.113   35.606 0.000000 35.60628 
1 1 1   72   28    5 o   88.200   38.274  6982.11  5081.79   0.0000   0.0000  6982.11  5081.79  ?   ?    88.200   38.274 0.000000 38.27396 
1 1 1   73    1    0 o  193.241   15.835 15478.98  2462.84 13913.62  3424.98 17155.07  3544.05  180.737   23.927  201.655   22.002 -20.91829 32.50484 
1 1 1   73    1    1 o  356.320   20.960 53064.04  6037.48 58555.38  8482.28 47425.25  8595.42  370.009   28.451  330.261   32.473 39.74774 43.17378 
1 1 1   73    1    2 o  137.485   13.663  7837.29  1505.08  7156.77  2056.00  8623.07  2209.28  129.714   20.177  142.809   19.567 -13.09468 28.10639 
1 1 1   73    1    3 o  262.171   16.308 28503.03  3454.25 26070.38  4804.54 31105.88  4969.76  247.572   24.211  271.291   22.772 -23.71919 33.23723 
1 1 1   73    1    4 o   96.029   12.630  3849.38  960.864  2936.84  1301.74  4941.77  1424.25   82.314   19.733  108.046   16.779 -25.73186 25.90194 
1 1 1   73    1    5 o  209.449   13.915 18153.21  2352.93 16799.16  3256.36 19632.48  3403.60  199.285   20.412  215.892   19.631 -16.60715 28.32009 
1 1 1   73    1    6 f  175.344   11.335 12666.54  1605.16 12759.23  2219.96 12565.00  2323.66  174.799   15.812  173.168   16.735 1.631271 23.02332 
1 1 1   73    1    7 o   60.361   13.125  1558.56  624.941  1921.99  839.100  1105.86  936.500   66.768   15.735   53.251   18.113 13.51688 23.99319 
1 1 1   73    1    8 o   79.088   15.261  2679.41  944.535  2721.48  980.418  2135.95  3523.51   79.616   15.724   84.762   33.872 -5.146156 37.34340 
1 1 1   73    1    9 o   48.409   17.249  856.479  854.589  3387.88  3615.64  706.693  879.509   93.170   35.100   46.510   17.353 46.66005 39.15557 
1 1 1   73    1   10 o  158.572   11.257 10407.75  1439.92  9602.47  2015.08 11247.97  2058.32  150.526   16.772  163.448   15.703 -12.92165 22.97565 
1 1 1   73    1   11 o  180.189   11.751 13469.34  1709.90 14211.53  2440.64 12753.87  2396.30  183.213   16.586  173.192   17.271 10.02159 23.94512 
1 1 1   73    1   12 o  138.351   11.784  7981.24  1311.11  8881.70  1861.04  7093.91  1847.42  144.406   16.149  128.016   18.293 16.38928 24.40118 
1 1 1   73    1   13 o  135.141   12.443  7665.54  1350.07  7021.60  1847.94  8402.73  1977.20  126.839   18.487  139.223   17.906 -12.38371 25.73638 
1 1 1   73    1   14 o   55.608   17.339  1335.29  867.639  226.132  1178.16  2649.68  1282.53   44.827   18.910   76.336   20.329 -31.50871 27.76414 
1 1 1   73    1   15 o   80.129   17.312  2886.04  1093.49  2700.06  1601.95  3048.31  1496.31   75.843   23.546   80.557   22.175 -4.713394 32.34454 
1 1 1   73    1   16 o  108.281   15.423  5174.69  1317.69  4492.78  1898.43  5808.60  1830.41   95.343   24.416  111.278   21.029 -15.93456 32.22345 
1 1 1   73    3    0 o  265.744   17.910 29348.24  3841.93 29856.64  5253.89 28763.93  5632.45  265.350   24.667  259.257   27.160 6.093475 36.68962 
1 1 1   73    3    1 o  410.080   23.155 70737.70  7678.31 72656.05 10635.64 68649.48 11096.55  409.021   32.287  395.362   34.926 13.65924 47.56292 
1 1 1   73    3    2 o   34.149   13.697  229.448  578.564 -341.5591  659.955  2125.57  1202.61   29.161   13.155   70.519   20.052 -41.35777 23.98204 
1 1 1   73    3    3 o  210.140   14.485 18269.01  2456.47 18201.95  3257.32 18357.45  3740.54  208.194   19.496  207.961   22.511 0.2335968 29.77994 
1 1 1   73    3    4 o  124.299   12.076  6397.71  1203.40  6255.06  1524.36  6633.68  1960.49  122.060   15.748  124.559   20.066 -2.498146 25.50773 
1 1 1   73    3    5 o  325.614   18.094 44288.36  4765.02 41517.63  6528.15 47447.91  6971.17  310.555   26.132  332.167   26.056 -21.61276 36.90239 
1 1 1   73    3    6 o   63.084   15.483  1712.72  787.154  1712.72  787.154   0.0000   0.0000   63.084   15.483  ?   ?  0.000000 15.48275 
1 1 1   73    3    7 o  143.335   11.153  8484.64  1287.79  8124.82  1731.50  8930.07  1926.49  139.119   15.597  145.625   16.589 -6.505432 22.76948 
1 1 1   73    3    8 o  104.562   11.600  4550.48  968.253  5039.63  1298.69  3938.28  1452.88  109.250   15.039   95.139   19.464 14.11157 24.59675 
1 1 1   73    3    9 o  102.538   11.536  4381.52  943.805  3728.89  1282.46  5152.61  1393.99   92.890   17.649  110.086   16.069 -17.19585 23.86785 
1 1 1   73    3   10 o  142.439   11.484  8416.18  1316.90  7565.33  1817.55  9356.49  1910.70  133.225   17.204  148.781   16.072 -15.55656 23.54307 
1 1 1   73    3   11 o   77.523   14.009  2573.61  849.356  2895.88  1179.84  2226.94  1223.70   81.195   18.330   71.166   20.224 10.02923 27.29493 
1 1 1   73    3   12 o   75.769   15.156  2488.01  899.888  3829.43  1278.84  1172.32  1266.52   93.704   17.450   56.783   20.892 36.92120 27.22100 
1 1 1   73    3   13 o  159.734   12.275 10682.50  1579.84 10968.27  2282.75 10419.80  2188.68  159.192   17.975  155.277   17.674 3.914856 25.20886 
1 1 1   73    3   14 o   51.985   17.323  1124.04  856.607  2311.82  1246.24   60.290  1179.38   71.419   20.449   43.277   18.608 28.14227 27.64813 
1 1 1   73    3   15 o  105.212   14.758  4810.89  1226.07  3755.35  1683.72  6002.43  1788.91   88.853   23.117  114.913   19.893 -26.05991 30.49799 
1 1 1   73    3   16 o  102.629   14.872  4636.70  1203.20  3963.08  1577.30  5574.24  1860.81   90.986   21.662  108.193   21.933 -17.20622 30.82655 
1 1 1   73    5    0 o  417.296   16.964 72015.79  5747.95 66533.23  6788.48 85901.81 10803.64  398.628   21.048  446.327   29.985 -47.69846 36.63507 
1 1 1   73    5    1 o  128.225   9.2494  6747.24  956.535  6791.15  1031.72  6478.55  2552.42  128.534   9.9636  121.334   26.638 7.199951 28.44024 
1 1 1   73    5    2 o   44.888   13.847  827.788  554.995  827.788  554.995   0.0000   0.0000   44.888   13.847  ?   ?  0.000000 13.84671 
1 1 1   73    5    3 o  388.428   30.120 65624.29  9425.41 65624.29  9425.41   0.0000   0.0000  388.428   30.120  ?   ?  0.000000 30.12041 
1 1 1   73    5    4 o  420.159   22.429 74664.52  7624.24 71422.09 10436.39 78375.55 11165.07  402.500   32.203  420.984   32.925 -18.48392 46.05555 
1 1 1   73    5    5 o   44.100   14.080  787.069  569.035  945.618  647.199  247.036  1194.45   47.965   14.979   46.264   19.244 1.700893 24.38644 
1 1 1   73    5    6 o  350.207   17.147 51086.50  4875.82 51820.06  6152.43 49847.79  7994.88  349.411   21.794  336.655   29.546 12.75668 36.71476 
1 1 1   73    5    7 o  188.929   11.655 14731.29  1779.13 14202.85  2383.11 15396.67  2674.10  184.140   16.101  191.293   17.407 -7.153336 23.71132 
1 1 1   73    5    8 o  127.424   11.531  6733.81  1180.16  6922.45  1547.13  6471.29  1825.10  128.257   15.149  122.757   18.918 5.500061 24.23603 
1 1 1   73    5    9 o   41.404   14.619  628.597  612.534 -622.4749  809.191  2307.47  937.388   30.387   14.030   72.968   16.240 -42.58173 21.46060 
1 1 1   73    5   10 o  112.574   11.484  5278.98  1035.03  4769.09  1392.15  5909.15  1547.66  105.407   16.832  117.627   16.671 -12.21992 23.69055 
1 1 1   73    5   11 o   48.806   15.920  972.310  724.852  1142.13  986.425  772.975  1068.70   53.860   18.582   49.738   19.000 4.122261 26.57608 
1 1 1   73    5   12 o  155.042   12.138 10036.14  1515.80 10176.85  2055.78  9868.50  2243.87  154.287   16.675  150.948   18.709 3.338486 25.06138 
1 1 1   73    5   13 f   64.908   16.256  1857.78  854.860  2314.59  1063.79  1024.99  1436.32   72.064   18.181   56.475   21.908 15.58905 28.46952 
1 1 1   73    5   14 o  172.592   12.457 12548.62  1733.93 10113.08  2360.86 15401.00  2554.91  150.762   19.762  188.556   16.866 -37.79457 25.98046 
1 1 1   73    5   15 o  102.355   13.292  4509.66  1078.58  4963.98  1401.01  3848.59  1689.98  105.733   16.887   89.758   23.064 15.97475 28.58553 
1 1 1   73    5   16 o  137.531   12.882  8141.77  1421.73  5538.24  1876.49 11650.36  2178.37  107.311   22.266  161.641   16.845 -54.32925 27.91965 
1 1 1   73    7    0 o   67.747   26.040  1397.45  2015.04   0.0000   0.0000  1397.45  2015.04  ?   ?    67.747   26.040 0.000000 26.04014 
1 1 1   73    7    1 o   80.187   25.155  2726.47  1822.95   0.0000   0.0000  2726.47  1822.95  ?   ?    80.187   25.155 0.000000 25.15463 
1 1 1   73    7    2 o  134.888   24.288  7921.26  2562.35   0.0000   0.0000  7921.26  2562.35  ?   ?   134.888   24.288 0.000000 24.28844 
1 1 1   73    7    3 o  158.861   23.433 10888.22  2931.89   0.0000   0.0000 10888.22  2931.89  ?   ?   158.861   23.433 0.000000 23.43333 
1 1 1   73    7    4 o  107.260   23.583  5060.87  1997.91   0.0000   0.0000  5060.87  1997.91  ?   ?   107.260   23.583 0.000000 23.58260 
1 1 1   73    7    5 o  302.216   16.905 38125.02  4131.65 35239.23  5474.60 41943.60  6297.53  286.738   23.727  312.041   25.067 -25.30264 34.51572 
1 1 1   73    7    6 o  136.137   11.368  7666.21  1245.15  7718.79  1502.46  7550.92  2224.90  136.018   13.795  132.074   21.486 3.944260 25.53293 
1 1 1   73    7    7 o  245.166   13.751 24937.66  2726.30 25186.37  3664.87 24629.49  4079.51  244.232   18.621  240.187   21.133 4.044266 28.16648 
1 1 1   73    7    8 o  195.190   12.620 15795.15  1989.36 16081.84  2643.06 15420.47  3021.54  195.412   16.822  189.984   19.882 5.427765 26.04329 
1 1 1   73    7    9 o  300.608   15.472 37803.72  3763.73 36125.81  4793.07 40502.30  6078.50  290.677   20.438  304.296   24.818 -13.61969 32.14997 
1 1 1   73    7   10 o  144.934   10.868  8703.58  1269.60  7040.98  1631.28 11257.84  2021.94  128.726   15.949  163.387   15.423 -34.66118 22.18651 
1 1 1   73    7   11 o   93.861   11.588  3697.01  864.430  3217.04  1085.00  4531.09  1430.31   86.176   16.098  102.023   17.920 -15.84685 24.08893 
1 1 1   73    7   12 o  108.622   19.035  5192.91  1617.64 -9099.3408  6585.33  6110.70  1668.77   69.426   34.070  118.528   17.897 -49.10198 38.48454 
1 1 1   73    7   13 f   85.590   13.073  3132.82  879.733  3031.37  1078.23  3334.85  1521.53   82.989   16.581   85.283   21.868 -2.294060 27.44387 
1 1 1   73    7   14 f  150.749   11.948  9576.81  1450.48  8346.39  1876.38 11403.82  2286.47  138.055   17.105  161.187   17.765 -23.13217 24.66160 
1 1 1   73    7   15 o   47.669   16.712  917.907  799.422  334.325  971.965  2138.14  1405.47   42.092   17.422   68.008   22.167 -25.91585 28.19400 
1 1 1   73    7   16 o  134.896   13.027  7870.09  1409.10  7303.13  1769.31  8853.38  2330.07  126.774   17.669  136.220   21.802 -9.446754 28.06226 
1 1 1   73    9    0 o  248.162   29.204 27023.34  5772.04   0.0000   0.0000 27023.34  5772.04  ?   ?   248.162   29.204 0.000000 29.20422 
1 1 1   73    9    1 o  170.295   26.920 12722.29  3598.65   0.0000   0.0000 12722.29  3598.65  ?   ?   170.295   26.920 0.000000 26.92036 
1 1 1   73    9    2 o  190.818   25.264 15802.75  3818.13   0.0000   0.0000 15802.75  3818.13  ?   ?   190.818   25.264 0.000000 25.26422 
1 1 1   73    9    3 o   80.843   25.300  2806.43  1845.32   0.0000   0.0000  2806.43  1845.32  ?   ?    80.843   25.300 0.000000 25.30004 
1 1 1   73    9    4 o   58.736   22.607  1038.03  1520.20   0.0000   0.0000  1038.03  1520.20  ?   ?    58.736   22.607 0.000000 22.60740 
1 1 1   73    9    5 o  240.314   25.460 25118.51  4892.26   0.0000   0.0000 25118.51  4892.26  ?   ?   240.314   25.460 0.000000 25.45989 
1 1 1   73    9    6 o   30.771   9.5540  385.868  263.734  335.927  269.543  1507.35  1277.31   29.354   9.7145   61.706   21.153 -32.35197 23.27662 
1 1 1   73    9    7 o   67.203   10.205  1894.62  539.339  1730.18  578.585  2984.89  1489.80   63.874   11.582   82.188   21.921 -18.31353 24.79283 
1 1 1   73    9    8 o  114.956   10.510  5476.83  970.162  5764.62  1153.74  4782.12  1792.56  117.539   12.270  103.948   21.928 13.59035 25.12738 
1 1 1   73    9    9 o  173.072   11.425 12410.52  1596.57 12350.90  2049.43 12502.56  2546.43  171.472   14.867  170.926   18.650 0.5460968 23.85092 
1 1 1   73    9   10 o   92.848   11.574  3616.16  853.607  3440.95  956.010  4305.12  1895.70   90.023   13.495   97.347   24.109 -7.323502 27.62915 
1 1 1   73    9   11 o  137.432   11.230  7865.48  1242.17  8431.29  1557.45  6876.39  2059.20  141.465   13.732  124.562   21.114 16.90353 25.18671 
1 1 1   73    9   12 o  201.126   11.454 16851.00  1862.73 13955.90  2465.13 20704.01  2843.86  180.188   17.052  220.429   15.998 -40.24117 23.38181 
1 1 1   73    9   13 o  207.036   18.522 18741.35  3080.80 17725.71  9101.34 18872.79  3274.08  151.667   55.972  206.779   19.740 -55.11217 59.35110 
1 1 1   73    9   14 o   33.737   14.008  160.090  631.266  247.903  724.013 -118.3024  1289.13   36.828   15.118   43.223   19.005 -6.394806 24.28456 
1 1 1   73    9   15 o  129.399   12.096  7148.20  1256.15  6149.25  1561.41  8980.94  2114.92  117.286   16.882  140.460   19.034 -23.17375 25.44234 
1 1 1   73   11    0 o  114.999   32.580  6087.27  3180.82   0.0000   0.0000  6087.27  3180.82  ?   ?   114.999   32.580 0.000000 32.58039 
1 1 1   73   11    1 o  151.409   29.427 10332.21  3487.43   0.0000   0.0000 10332.21  3487.43  ?   ?   151.409   29.427 0.000000 29.42726 
1 1 1   73   11    2 o   57.942   24.222  427.386  1905.66   0.0000   0.0000  427.386  1905.66  ?   ?    57.942   24.222 0.000000 24.22176 
1 1 1   73   11    3 o   53.926   22.418  399.952  1619.44   0.0000   0.0000  399.952  1619.44  ?   ?    53.926   22.418 0.000000 22.41755 
1 1 1   73   11    4 o   74.503   25.611  2258.40  1873.05   0.0000   0.0000  2258.40  1873.05  ?   ?    74.503   25.611 0.000000 25.61057 
1 1 1   73   11    5 o  349.026   32.605 55285.56  9133.16   0.0000   0.0000 55285.56  9133.16  ?   ?   349.026   32.605 0.000000 32.60506 
1 1 1   73   11    6 o  155.596   22.189 10533.34  2723.89 12099.49  6171.23 10154.40  3035.59  152.551   46.000  151.088   25.662 1.462875 52.67373 
1 1 1   73   11    7 o   62.657   22.431  1492.98  1446.95 -5028.6079  5481.15  1981.51  1500.17   71.774   34.178   68.931   22.923 2.843536 41.15298 
1 1 1   73   11    8 o  201.826   22.107 17719.11  3563.53  9412.56  8134.54 19691.78  3964.15  133.352   52.023  212.029   23.417 -78.67726 57.05038 
1 1 1   73   11    9 o   85.058   9.2189  3004.87  626.504  3223.97  687.374  1929.58  1522.79   88.019   9.7834   68.085   23.097 19.93366 25.08361 
1 1 1   73   11   10 o   26.857   9.4548  261.250  256.036  246.477  261.591  598.070  1249.08   26.574   9.5351   50.039   20.106 -23.46505 22.25274 
1 1 1   73   11   11 o  109.279   10.121  4971.77  887.824  4979.94  1015.85  4945.36  1826.88  108.931   11.667  104.441   22.225 4.489494 25.10130 
1 1 1   73   11   12 f  111.881   10.025  5219.66  901.026  4423.94  1031.96  7772.07  1848.24  102.086   12.726  133.545   17.463 -31.45949 21.60814 
1 1 1   73   11   13 o   43.007   13.049  788.112  495.474  547.268  531.702  2377.00  1365.68   38.265   13.608   71.916   21.629 -33.65074 25.55387 
1 1 1   73   11   14 o  104.775   10.682  4638.78  896.045  3902.67  1020.72  7111.97  1870.96   94.838   13.648  125.324   18.980 -30.48593 23.37805 
1 1 1   73   11   15 f   40.440   13.083  690.940  490.045  823.812  519.368 -387.0539  1479.34   43.559   13.388   43.457   19.641 0.1019821 23.76994 
1 1 1   73   13    0 o   68.951   28.015  1127.99  2454.42   0.0000   0.0000  1127.99  2454.42  ?   ?    68.951   28.015 0.000000 28.01505 
1 1 1   73   13    1 o   96.722   30.265  4211.72  2640.82   0.0000   0.0000  4211.72  2640.82  ?   ?    96.722   30.265 0.000000 30.26543 
1 1 1   73   13    2 o  129.928   28.903  7708.87  2970.43   0.0000   0.0000  7708.87  2970.43  ?   ?   129.928   28.903 0.000000 28.90261 
1 1 1   73   13    3 o   86.142   28.024  3238.79  2246.71   0.0000   0.0000  3238.79  2246.71  ?   ?    86.142   28.024 0.000000 28.02437 
1 1 1   73   13    4 o  288.915   30.191 37635.40  6977.93   0.0000   0.0000 37635.40  6977.93  ?   ?   288.915   30.191 0.000000 30.19126 
1 1 1   73   13    5 o  166.616   26.602 12424.68  3477.89   0.0000   0.0000 12424.68  3477.89  ?   ?   166.616   26.602 0.000000 26.60234 
1 1 1   73   13    6 o   68.447   24.991  1770.83  1807.39  5673.30  6234.49  1412.76  1888.49  114.042   45.220   65.606   25.211 48.43589 51.77269 
1 1 1   73   13    7 o   93.083   25.516  3943.11  1985.99  3662.63  5898.07  3978.98  2109.16  102.883   42.777   93.346   26.560 9.537422 50.35141 
1 1 1   73   13    8 o  146.615   23.006  9541.92  2648.60 13746.58  6935.01  8823.89  2865.84  155.259   49.111  139.108   26.337 16.15109 55.72732 
1 1 1   73   13    9 o  246.561   24.378 27094.71  4816.54 18243.96 10518.81 29442.78  5417.90  160.982   60.021  255.040   26.552 -94.05844 65.63181 
1 1 1   73   13   10 o  204.469   20.785 18347.50  3402.81 12062.81  9403.99 19294.35  3650.16  135.384   54.898  208.928   21.839 -73.54440 59.08226 
1 1 1   73   13   11 o  140.160   24.791  9077.71  2718.09 -4343.0811  8192.60 10737.71  2881.28   84.990   40.822  153.277   23.933 -68.28783 47.32057 
1 1 1   73   13   12 f   98.863   9.0097  4070.26  715.305  3394.09  775.759  7908.39  1848.24   89.673   10.877  134.313   17.353 -44.64034 20.48028 
1 1 1   73   13   13 o  108.425   8.8087  4898.91  768.792  3708.06  856.229  9852.47  1746.31   93.334   11.544  151.188   14.399 -57.85384 18.45581 
1 1 1   73   13   14 o  102.784   22.447  5093.19  1820.90 10019.83  9662.61  4911.79  1854.12  105.183   48.534  100.339   23.218 4.843513 53.80205 
1 1 1   73   15    0 o  332.036   36.843 52525.44  9765.53   0.0000   0.0000 52525.44  9765.53  ?   ?   332.036   36.843 0.000000 36.84317 
1 1 1   73   15    1 o  343.439   36.115 55806.56  9920.25   0.0000   0.0000 55806.56  9920.25  ?   ?   343.439   36.115 0.000000 36.11523 
1 1 1   73   15    2 o  185.849   29.520 15768.74  4305.67   0.0000   0.0000 15768.74  4305.67  ?   ?   185.849   29.520 0.000000 29.51962 
1 1 1   73   15    3 o  175.893   29.037 14120.95  4002.35   0.0000   0.0000 14120.95  4002.35  ?   ?   175.893   29.037 0.000000 29.03718 
1 1 1   73   15    4 o   40.092   18.936 -1682.1030  1617.25   0.0000   0.0000 -1682.1030  1617.25  ?   ?    40.092   18.936 0.000000 18.93552 
1 1 1   73   15    5 o   76.771   27.765  2368.68  2223.21   0.0000   0.0000  2368.68  2223.21  ?   ?    76.771   27.765 0.000000 27.76527 
1 1 1   73   15    6 o  142.871   28.508  9450.56  3191.23   0.0000   0.0000  9450.56  3191.23  ?   ?   142.871   28.508 0.000000 28.50815 
1 1 1   73   15    7 o   75.306   26.361  2383.85  1988.80  4935.94  6477.45  2118.22  2089.73  108.566   44.958   73.226   26.852 35.33994 52.36662 
1 1 1   73   15    8 o   45.694   20.384 -424.9342  1536.52 -4179.7290  6227.73 -181.5585  1585.53   77.030   36.609   48.146   21.125 28.88424 42.26684 
1 1 1   73   15    9 o  151.602   25.266 10539.83  3000.69  2969.53  8349.74 11662.54  3215.50  104.001   46.865  159.281   25.740 -55.28032 53.46864 
1 1 1   73   15   10 o  201.893   21.300 18132.97  3438.95 25953.88 10243.73 17139.57  3650.83  185.452   59.797  194.349   23.621 -8.896942 64.29353 
1 1 1   73   15   11 o   60.701   23.212  1347.58  1596.08 -1351.3260  7958.60  1460.68  1629.18   87.642   41.574   62.120   23.524 25.52193 47.76811 
1 1 1   73   15   12 o  108.629   27.758  5924.50  2457.49 -560.1589  9418.15  6398.27  2545.67   90.270   43.462  112.880   27.928 -22.61061 51.66175 
1 1 1   73   15   13 o   60.689   24.037  1358.95  1759.70 -4951.1299  9582.05  1579.20  1790.15   80.489   39.803   62.930   24.445 17.55873 46.71033 
1 1 1   73   15   14 o   90.856   27.972  4482.99  2266.18  3382.68 11078.35  4531.05  2315.13   88.401   43.540   91.061   28.312 -2.660065 51.93603 
1 1 1   73   17    0 o  180.745   34.007 15724.89  4807.62   0.0000   0.0000 15724.89  4807.62  ?   ?   180.745   34.007 0.000000 34.00660 
1 1 1   73   17    1 o   57.749   25.761 -523.1082  2454.11   0.0000   0.0000 -523.1082  2454.11  ?   ?    57.749   25.761 0.000000 25.76112 
1 1 1   73   17    2 o  160.145   32.142 12200.91  4034.28   0.0000   0.0000 12200.91  4034.28  ?   ?   160.145   32.142 0.000000 32.14234 
1 1 1   73   17    3 o   87.179   30.618  3333.35  2684.00   0.0000   0.0000  3333.35  2684.00  ?   ?    87.179   30.618 0.000000 30.61803 
1 1 1   73   17    4 o  106.045   29.605  5324.06  2646.49   0.0000   0.0000  5324.06  2646.49  ?   ?   106.045   29.605 0.000000 29.60451 
1 1 1   73   17    5 o   92.405   30.629  3949.02  2679.20   0.0000   0.0000  3949.02  2679.20  ?   ?    92.405   30.629 0.000000 30.62946 
1 1 1   73   17    6 o   62.574   25.945  819.759  2161.01   0.0000   0.0000  819.759  2161.01  ?   ?    62.574   25.945 0.000000 25.94467 
1 1 1   73   17    7 o  138.848   28.377  9110.93  3091.17  8289.24  9503.70  9208.14  3268.92  122.190   52.682  138.530   29.935 -16.33996 60.59306 
1 1 1   73   17    8 o  112.996   28.696  6167.89  2637.80  3676.02  8379.79  6441.96  2779.07  104.810   47.115  114.994   29.591 -10.18461 55.63728 
1 1 1   73   17    9 o   97.030   28.697  4598.69  2419.17  342.241  8547.04  4969.38  2522.31   94.888   44.409  100.530   29.181 -5.641693 53.13882 
1 1 1   73   17   10 o  124.933   28.434  7699.24  2819.56 11537.49  9591.98  7336.22  2949.88  122.304   52.828  120.468   30.211 1.836342 60.85675 
1 1 1   73   17   11 f  122.381   30.754  7811.09  3052.28  7813.71 10365.47  7810.84  3193.89  106.918   49.661  121.195   31.988 -14.27668 59.07143 
1 1 1   73   17   12 o  142.338   31.259 10854.40  3513.89 12073.04 11648.79 10732.41  3685.57  108.203   51.017  139.297   33.078 -31.09417 60.80201 
1 1 1   73   17   13 o   75.158   29.512  2823.12  2631.53  3671.55 11460.55  2775.90  2703.77   89.279   44.033   74.947   29.760 14.33121 53.14633 
1 1 1   73   19    0 o   70.753   30.822  449.124  3321.53   0.0000   0.0000  449.124  3321.53  ?   ?    70.753   30.822 0.000000 30.82210 
1 1 1   73   19    1 o   66.122   28.794  266.140  2896.54   0.0000   0.0000  266.140  2896.54  ?   ?    66.122   28.794 0.000000 28.79435 
1 1 1   73   19    2 o   85.502   32.058  3095.39  3009.09   0.0000   0.0000  3095.39  3009.09  ?   ?    85.502   32.058 0.000000 32.05829 
1 1 1   73   19    3 o   69.364   28.683  1199.88  2631.01   0.0000   0.0000  1199.88  2631.01  ?   ?    69.364   28.683 0.000000 28.68261 
1 1 1   73   19    4 f  118.575   33.936  7079.74  3433.03   0.0000   0.0000  7079.74  3433.03  ?   ?   118.575   33.936 0.000000 33.93596 
1 1 1   73   19    5 o  210.253   31.197 21258.59  5164.30   0.0000   0.0000 21258.59  5164.30  ?   ?   210.253   31.197 0.000000 31.19654 
1 1 1   73   19    6 f   76.766   29.707  2300.44  2636.04   0.0000   0.0000  2300.44  2636.04  ?   ?    76.766   29.707 0.000000 29.70720 
1 1 1   73   19    7 o   54.292   24.130 -269.4063  2132.63  3995.40  8601.04 -548.7792  2201.37  104.083   47.172   53.537   24.100 50.54580 52.97148 
1 1 1   73   19    8 o  199.013   28.474 19087.82  4470.03 15073.42 11741.06 19768.32  4834.08  130.317   57.326  200.091   30.737 -69.77429 65.04679 
1 1 1   73   19    9 o   87.445   28.494  3786.94  2322.23  6958.43  9972.68  3605.11  2387.87  107.475   49.489   85.601   28.923 21.87317 57.32164 
1 1 1   73   19   10 o   84.376   30.238  3596.58  2630.07 15853.57 12202.52  2999.44  2693.38  119.543   54.934   79.482   30.211 40.06110 62.69331 
1 1 1   73   19   11 o   40.082   19.574 -3118.5149  2095.32 -5603.8428 10408.19 -3013.5371  2139.11   80.771   40.203   40.977   19.960 39.79390 44.88531 
1 1 1   73   19   12 o   83.987   31.458  4005.03  2895.99  7116.91 12564.44  3830.44  2976.12   92.518   45.719   82.562   31.667 9.955368 55.61508 
1 1 1   73   21    0 o  169.246   43.018 16348.79  5924.15   0.0000   0.0000 16348.79  5924.15  ?   ?   169.246   43.018 0.000000 43.01752 
1 1 1   73   21    1 o  112.026   38.280  6761.44  4183.09   0.0000   0.0000  6761.44  4183.09  ?   ?   112.026   38.280 0.000000 38.27979 
1 1 1   73   21    2 o   83.194   32.874  2807.19  3284.37   0.0000   0.0000  2807.19  3284.37  ?   ?    83.194   32.874 0.000000 32.87381 
1 1 1   73   21    3 f   94.287   34.231  4340.58  3383.97   0.0000   0.0000  4340.58  3383.97  ?   ?    94.287   34.231 0.000000 34.23130 
1 1 1   73   21    4 o  117.529   36.073  7392.36  3772.08   0.0000   0.0000  7392.36  3772.08  ?   ?   117.529   36.073 0.000000 36.07299 
1 1 1   73   21    5 o  133.047   36.159  9531.43  4008.39   0.0000   0.0000  9531.43  4008.39  ?   ?   133.047   36.159 0.000000 36.15903 
1 1 1   73   21    6 o   56.640   25.669 -610.1451  2546.75   0.0000   0.0000 -610.1451  2546.75  ?   ?    56.640   25.669 0.000000 25.66942 
1 1 1   73   21    7 o   90.743   32.871  4197.79  3117.85   0.0000   0.0000  4197.79  3117.85  ?   ?    90.743   32.871 0.000000 32.87101 
1 1 1   73   21    8 o  114.581   33.561  7242.32  3322.94  7745.36 11909.15  7199.85  3460.37  105.711   50.349  113.291   34.509 -7.580109 61.03984 
1 1 1   73   21    9 o   91.101   30.362  4449.70  2631.35  6813.16 12084.54  4332.06  2696.04   99.979   48.405   89.844   30.731 10.13467 57.33656 
1 1 1   73   21   10 o  116.080   34.004  7995.28  3411.00 24983.30 13350.15  6808.82  3528.10  120.924   56.230  105.108   35.159 15.81606 66.31725 
1 1 1   73   21   11 o   73.253   30.534  2581.66  3015.90 -16487.9297 13499.82  3583.40  3094.10   73.656   37.643   79.837   31.793 -6.180794 49.27285 
1 1 1   73   23    0 o  122.438   43.714  9620.70  5491.62   0.0000   0.0000  9620.70  5491.62  ?   ?   122.438   43.714 0.000000 43.71396 
1 1 1   73   23    1 o   65.893   29.331  193.252  3162.91   0.0000   0.0000  193.252  3162.91  ?   ?    65.893   29.331 0.000000 29.33083 
1 1 1   73   23    2 o   91.868   35.895  4232.74  3877.40   0.0000   0.0000  4232.74  3877.40  ?   ?    91.868   35.895 0.000000 35.89548 
1 1 1   73   23    3 o   60.797   27.768 -692.1502  3054.16   0.0000   0.0000 -692.1502  3054.16  ?   ?    60.797   27.768 0.000000 27.76798 
1 1 1   73   23    4 o  159.792   40.073 14967.00  5189.97   0.0000   0.0000 14967.00  5189.97  ?   ?   159.792   40.073 0.000000 40.07284 
1 1 1   73   23    5 o   43.483   21.242 -3710.3760  2473.57   0.0000   0.0000 -3710.3760  2473.57  ?   ?    43.483   21.242 0.000000 21.24213 
1 1 1   73   23    6 o   71.572   30.700  1538.00  3196.05   0.0000   0.0000  1538.00  3196.05  ?   ?    71.572   30.700 0.000000 30.69959 
1 1 1   73   23    7 o   92.465   33.137  4811.44  3158.44   0.0000   0.0000  4811.44  3158.44  ?   ?    92.465   33.137 0.000000 33.13696 
1 1 1   73   23    8 o   53.505   24.683 -725.5840  2497.23 -15746.2305 13129.09 -161.7639  2543.67   76.545   38.938   56.584   25.648 19.96114 46.62585 
1 1 1   73   23    9 o   83.059   32.749  4001.84  3252.95   0.0000   0.0000  4001.84  3252.95  ?   ?    83.059   32.749 0.000000 32.74925 
1 1 1   73   25    0 o  165.071   51.936 22146.92  7764.47   0.0000   0.0000 22146.92  7764.47  ?   ?   165.071   51.936 0.000000 51.93571 
1 1 1   73   25    1 o   87.661   37.832  3855.53  4910.90   0.0000   0.0000  3855.53  4910.90  ?   ?    87.661   37.832 0.000000 37.83231 
1 1 1   73   25    2 o   73.623   31.587  1879.74  3384.72   0.0000   0.0000  1879.74  3384.72  ?   ?    73.623   31.587 0.000000 31.58658 
1 1 1   73   25    3 o   73.300   32.447  1463.49  3818.42   0.0000   0.0000  1463.49  3818.42  ?   ?    73.300   32.447 0.000000 32.44665 
1 1 1   73   25    4 o   59.439   27.822 -1174.0291  3356.63   0.0000   0.0000 -1174.0291  3356.63  ?   ?    59.439   27.822 0.000000 27.82229 
1 1 1   73   25    5 o   87.646   35.893  4507.12  4068.90   0.0000   0.0000  4507.12  4068.90  ?   ?    87.646   35.893 0.000000 35.89252 
1 1 1   73   25    6 f  125.703   39.550 10909.99  4502.70   0.0000   0.0000 10909.99  4502.70  ?   ?   125.703   39.550 0.000000 39.55006 
1 1 1   73   25    7 o   80.106   33.904  3652.50  3807.78   0.0000   0.0000  3652.50  3807.78  ?   ?    80.106   33.904 0.000000 33.90431 
1 1 1   73   25    8 o   61.220   28.109  344.374  3185.91   0.0000   0.0000  344.374  3185.91  ?   ?    61.220   28.109 0.000000 28.10947 
1 1 1   73   27    0 f   96.924   42.849  8561.66  6638.23   0.0000   0.0000  8561.66  6638.23  ?   ?    96.924   42.849 0.000000 42.84880 
1 1 1   73   27    1 o  124.464   48.834 16267.97  7199.70   0.0000   0.0000 16267.97  7199.70  ?   ?   124.464   48.834 0.000000 48.83391 
1 1 1   73   27    2 o   64.905   30.673 -525.0427  4255.11   0.0000   0.0000 -525.0427  4255.11  ?   ?    64.905   30.673 0.000000 30.67287 
1 1 1   73   27    3 o   51.555   25.271 -3919.0830  3590.26   0.0000   0.0000 -3919.0830  3590.26  ?   ?    51.555   25.271 0.000000 25.27066 
1 1 1   73   27    4 o   96.001   39.896  7729.85  5126.90   0.0000   0.0000  7729.85  5126.90  ?   ?    96.001   39.896 0.000000 39.89602 
1 1 1   73   27    5 o   60.830   28.855 -667.9493  3834.04   0.0000   0.0000 -667.9493  3834.04  ?   ?    60.830   28.855 0.000000 28.85549 
1 1 1   73   27    6 o   60.579   28.719 -391.6125  3786.84   0.0000   0.0000 -391.6125  3786.84  ?   ?    60.579   28.719 0.000000 28.71925 
1 1 1   73   29    0 o   74.077   36.003  3443.39  6856.53   0.0000   0.0000  3443.39  6856.53  ?   ?    74.077   36.003 0.000000 36.00328 
1 1 1   73   29    1 o  104.126   46.760 18283.58  8230.11   0.0000   0.0000 18283.58  8230.11  ?   ?   104.126   46.760 0.000000 46.75966 
1 1 1   73   29    2 o   71.863   34.160  2875.92  5427.35   0.0000   0.0000  2875.92  5427.35  ?   ?    71.863   34.160 0.000000 34.15965 
1 1 1   73   29    3 o   88.450   38.681  8261.39  5276.69   0.0000   0.0000  8261.39  5276.69  ?   ?    88.450   38.681 0.000000 38.68106 
1 1 1   74    0    0 o   81.775   28.874  3641.48  1742.18   0.0000   0.0000  3641.48  1742.18   81.775   28.874   81.775   28.874 0.000000 0.000000 
1 1 1   74    0    1 o  302.815   27.827 39328.96  6709.05   0.0000   0.0000 39328.96  6709.05  302.815   27.827  302.815   27.827 0.000000 0.000000 
1 1 1   74    0    2 o  190.898   21.814 15666.47  3267.03   0.0000   0.0000 15666.47  3267.03  190.898   21.814  190.898   21.814 0.000000 0.000000 
1 1 1   74    0    3 o   49.247   23.489  1480.69  1075.33   0.0000   0.0000  1480.69  1075.33   49.247   23.489   49.247   23.489 0.000000 0.000000 
1 1 1   74    0    4 o  248.613   23.008 26448.85  4553.15   0.0000   0.0000 26448.85  4553.15  248.613   23.008  248.613   23.008 0.000000 0.000000 
1 1 1   74    0    5 o  481.967   38.727 104682.40 14930.18   0.0000   0.0000 104682.40 14930.18  481.967   38.727  481.967   38.727 0.000000 0.000000 
1 1 1   74    0    6 o   28.108   17.295  268.970  766.931   70.818  3546.39  278.692  785.519   52.157   34.076   28.480   17.514 0.000000 0.000000 
1 1 1   74    0    7 o  235.882   18.164 23547.70  3431.48 26205.68  7231.95 22775.41  3898.25  230.658   42.998  230.164   21.277 0.000000 0.000000 
1 1 1   74    0    8 o  220.115   18.613 20660.14  3271.96 17198.98  7094.44 21595.25  3687.56  164.897   58.286  223.904   20.689 0.000000 0.000000 
1 1 1   74    0    9 o   73.018   22.242  2768.91  1151.60  8511.81  4037.00  2260.19  1201.53  116.660   44.962   62.327   24.659 0.000000 0.000000 
1 1 1   74    0   10 o   53.154   23.037  1711.68  1026.43  4079.94  3903.43  1535.76  1063.87   75.057   42.213   49.510   23.392 0.000000 0.000000 
1 1 1   74    0   11 o   28.032   17.865  132.778  898.014  5305.31  3958.21 -147.9095  922.058   83.277   43.924   25.780   17.025 0.000000 0.000000 
1 1 1   74    0   12 o   65.538   25.265  2528.63  1274.56  4146.63  4710.21  2400.79  1323.95   72.756   43.841   62.560   26.081 0.000000 0.000000 
1 1 1   74    0   13 o   54.624   26.609  1997.78  1388.64  6756.00  4812.34  1565.60  1450.33   86.173   47.456   48.289   26.239 0.000000 0.000000 
1 1 1   74    0   14 o   94.678   25.335  4729.08  1682.97  8107.03  4878.01  4272.67  1793.07   90.968   48.535   85.423   28.888 0.000000 0.000000 
1 1 1   74    0   15 o   35.855   22.020  676.179  1237.88   23.758  5138.82  716.369  1275.44   50.893   35.354   36.509   22.388 0.000000 0.000000 
1 1 1   74    0   16 o   45.057   25.439  1536.76  1424.93 -3500.3779  7197.86  1742.21  1453.70   47.140   34.207   47.545   26.119 0.000000 0.000000 
1 1 1   74    2    0 o  253.218   17.571 26677.14  3590.25 24681.79  4965.50 28863.05  5197.19  240.151   25.873  260.360   24.887 -20.20903 35.89991 
1 1 1   74    2    1 o  147.196   14.426  9000.71  1702.02  8602.86  2297.21  9484.92  2534.26  142.251   20.479  149.153   21.551 -6.902374 29.72915 
1 1 1   74    2    2 o   53.012   15.954  1172.47  742.892  1081.47  890.315  1381.04  1347.92   52.589   17.662   61.126   21.675 -8.536480 27.95951 
1 1 1   74    2    3 o   88.594   13.638  3302.07  949.564  4804.55  1225.79  1047.49  1501.56  107.037   14.475   58.884   22.515 48.15347 26.76704 
1 1 1   74    2    4 o   40.820   14.402  603.990  594.370  885.806  752.587  136.825  968.967   47.886   16.237   41.127   17.238 6.758518 23.68136 
1 1 1   74    2    5 o  230.723   14.427 22067.93  2689.10 19570.92  3659.86 24997.59  3964.28  214.610   21.283  243.257   20.255 -28.64699 29.38091 
1 1 1   74    2    6 f  285.382   15.313 33842.22  3535.30 32483.77  4557.38 35894.89  5602.13  277.132   20.396  289.160   24.079 -12.02786 31.55669 
1 1 1   74    2    7 f  218.131   15.540 19852.53  2734.37 18582.52  2991.92 26290.89  6736.51  210.161   17.698  238.633   35.877 -28.47209 40.00475 
1 1 1   74    2    8 o  242.554   13.027 24366.15  2556.15 24544.72  3569.23 24178.13  3662.44  241.122   18.369  238.971   19.033 2.150650 26.45107 
1 1 1   74    2    9 o   64.581   14.261  1796.37  727.857  1963.42  975.492  1586.58  1093.23   67.173   17.654   61.492   19.504 5.680878 26.30715 
1 1 1   74    2   10 o   84.179   19.330  3118.37  1293.34 -1055.2900  4677.46  3463.88  1345.81   77.065   34.869   88.825   19.218 -11.76035 39.81464 
1 1 1   74    2   11 o  106.192   12.569  4736.78  1062.69  4484.51  1474.61  5009.36  1532.81  101.352   18.604  107.392   18.230 -6.039085 26.04729 
1 1 1   74    2   12 o  200.678   12.799 16823.41  2074.68 18352.58  2921.87 15268.50  2946.36  207.142   17.537  187.617   19.632 19.52509 26.32373 
1 1 1   74    2   13 o  169.938   12.543 12112.30  1718.44 11110.28  2426.48 13120.55  2434.02  159.403   19.130  174.393   17.422 -14.99068 25.87428 
1 1 1   74    2   14 o  119.150   13.455  6051.22  1278.88  4593.59  1780.16  7605.93  1838.48   99.482   22.558  131.663   17.641 -32.18098 28.63645 
1 1 1   74    2   15 o  117.465   15.399  6025.03  1433.36  5597.39  2071.48  6417.88  1985.42  107.889   24.238  117.574   21.593 -9.685585 32.46119 
1 1 1   74    2   16 o   36.712   16.333 -202.2366  979.424 -1891.7600  1503.44  1043.45  1290.95   35.991   17.338   53.527   20.768 -17.53590 27.05394 
1 1 1   74    4    0 o   83.268   8.3206  2856.15  555.027  2909.84  580.769  2290.46  1885.14   84.008   8.6373   75.667   25.698 8.340668 27.11104 
1 1 1   74    4    1 o  450.833   24.966 86367.99  9103.47 86241.92 12545.98 86508.19 13229.73  440.841   35.347  439.270   37.450 1.571350 51.49652 
1 1 1   74    4    2 o  148.401   13.299  9126.07  1585.45  9680.74  2012.92  8219.66  2573.20  152.053   16.572  137.704   23.879 14.34956 29.06662 
1 1 1   74    4    3 o  176.671   13.656 12926.63  1943.79 13908.59  2468.44 11323.87  3153.62  182.383   16.859  161.626   24.824 20.75699 30.00788 
1 1 1   74    4    4 o  186.616   17.559 14610.49  2629.42 14610.49  2629.42   0.0000   0.0000  186.616   17.559  ?   ?  0.000000 17.55936 
1 1 1   74    4    5 o  194.702   18.033 15943.21  2818.51 15943.21  2818.51   0.0000   0.0000  194.702   18.033  ?   ?  0.000000 18.03308 
1 1 1   74    4    6 o  276.291   15.172 31731.37  3390.75 32636.92  4331.85 30298.82  5448.40  278.243   19.293  264.306   25.713 13.93707 32.14644 
1 1 1   74    4    7 f  179.791   12.225 13373.51  1774.01 13698.63  2264.65 12857.13  2854.03  180.940   15.566  173.302   20.691 7.638306 25.89274 
1 1 1   74    4    8 o  145.621   11.722  8787.23  1374.23  9196.33  1834.82  8264.51  2074.00  147.899   15.510  138.978   18.867 8.921463 24.42347 
1 1 1   74    4    9 o  154.962   11.779  9957.28  1470.92 10667.81  2006.91  9132.59  2162.15  159.160   15.736  146.077   18.655 13.08311 24.40534 
1 1 1   74    4   10 o   68.452   14.820  2025.71  799.862  1801.79  1032.80  2361.28  1264.35   64.451   18.663   73.236   20.469 -8.784676 27.69945 
1 1 1   74    4   11 o   41.450   17.322  193.096  974.217  9883.33  4999.00 -189.4601  993.261  137.568   41.383   38.042   16.706 99.52568 44.62752 
1 1 1   74    4   12 o  128.857   12.747  6975.63  1316.19  6411.13  1824.64  7587.98  1900.41  120.955   19.222  132.270   18.175 -11.31518 26.45391 
1 1 1   74    4   13 o  127.774   13.274  6908.19  1357.09  7124.57  1894.65  6680.22  1944.76  127.255   18.912  122.477   20.264 4.778091 27.71792 
1 1 1   74    4   14 o  115.042   13.188  5641.31  1209.63  5006.62  1681.26  6322.44  1741.69  104.925   20.469  119.261   18.592 -14.33551 27.65237 
1 1 1   74    4   15 o   68.894   17.173  2153.75  957.279  2055.52  1187.33  2336.21  1618.17   66.840   20.182   70.925   23.811 -4.084671 31.21304 
1 1 1   74    4   16 o  140.817   13.684  8609.20  1544.85  9515.09  2030.04  7362.75  2381.25  145.173   17.580  121.513   24.970 23.65994 30.53787 
1 1 1   74    6    0 o  198.530   26.737 17106.93  4200.42   0.0000   0.0000 17106.93  4200.42  ?   ?   198.530   26.737 0.000000 26.73712 
1 1 1   74    6    1 f  102.044   26.579  4616.44  2224.15   0.0000   0.0000  4616.44  2224.15  ?   ?   102.044   26.579 0.000000 26.57907 
1 1 1   74    6    2 o  168.117   11.760 11654.13  1595.24 11899.23  1858.14 10967.11  3110.92  169.444   13.621  158.887   24.934 10.55727 28.41217 
1 1 1   74    6    3 o  246.706   25.662 26275.76  5065.39   0.0000   0.0000 26275.76  5065.39  ?   ?   246.706   25.662 0.000000 25.66243 
1 1 1   74    6    4 o  181.468   13.204 13638.20  1932.27 13229.86  2433.15 14335.46  3179.46  177.544   17.089  183.066   21.820 -5.522583 27.71536 
1 1 1   74    6    5 o  169.815   12.736 11942.55  1743.29 10674.25  2191.25 14129.42  2877.35  159.174   17.229  182.420   19.741 -23.24593 26.20213 
1 1 1   74    6    6 o   31.931   12.883  190.258  515.036  262.914  573.905 -110.3854  1167.43   34.468   13.703   42.367   18.365 -7.898663 22.91370 
1 1 1   74    6    7 o   36.908   13.445  463.099  522.682  309.372  620.137  840.184  971.254   36.169   14.287   49.640   18.291 -13.47141 23.20906 
1 1 1   74    6    8 o  169.551   11.913 11908.20  1629.61 11309.75  2058.53 12912.86  2667.19  164.031   15.645  173.929   19.207 -9.898026 24.77240 
1 1 1   74    6    9 o   69.240   14.047  2059.94  762.749  2649.88  963.346  1068.69  1248.73   78.354   15.689   55.689   20.697 22.66488 25.97110 
1 1 1   74    6   10 o  187.662   12.294 14638.32  1862.89 14344.29  2541.81 14979.52  2738.17  183.719   17.241  187.287   18.237 -3.567657 25.09674 
1 1 1   74    6   11 o  133.796   11.416  7456.19  1228.36  6705.14  1619.20  8474.42  1885.33  125.180   16.319  140.726   16.834 -15.54646 23.44503 
1 1 1   74    6   12 o   51.083   19.613  829.604  1142.26  3747.09  6106.56  723.823  1162.78  100.597   42.773   50.102   19.635 50.49524 47.06408 
1 1 1   74    6   13 o   92.029   13.198  3618.11  958.018  3380.87  1166.57  4109.51  1678.94   87.543   17.025   94.520   22.246 -6.977074 28.01309 
1 1 1   74    6   14 o  202.478   12.408 17294.59  2030.14 15516.67  2745.70 19438.80  3015.31  187.719   18.244  210.642   17.796 -22.92287 25.48662 
1 1 1   74    6   15 o   84.378   14.046  3117.80  928.503  3031.80  1146.56  3281.66  1582.63   81.521   17.819   82.533   22.841 -1.012665 28.96972 
1 1 1   74    8    0 o   58.273   24.603  288.133  1997.17   0.0000   0.0000  288.133  1997.17  ?   ?    58.273   24.603 0.000000 24.60299 
1 1 1   74    8    1 o   99.443   26.680  4402.88  2198.99   0.0000   0.0000  4402.88  2198.99  ?   ?    99.443   26.680 0.000000 26.68024 
1 1 1   74    8    2 o  133.986   25.384  7907.52  2660.45   0.0000   0.0000  7907.52  2660.45  ?   ?   133.986   25.384 0.000000 25.38372 
1 1 1   74    8    3 o  310.689   29.847 42587.64  7436.75   0.0000   0.0000 42587.64  7436.75  ?   ?   310.689   29.847 0.000000 29.84674 
1 1 1   74    8    4 o  266.794   26.997 31087.97  5767.71   0.0000   0.0000 31087.97  5767.71  ?   ?   266.794   26.997 0.000000 26.99651 
1 1 1   74    8    5 o  103.111   23.854  4718.82  1957.40   0.0000   0.0000  4718.82  1957.40  ?   ?   103.111   23.854 0.000000 23.85368 
1 1 1   74    8    6 o  122.662   10.762  6226.24  1061.07  5807.94  1210.56  7613.04  2204.20  117.955   12.847  132.506   21.202 -14.55129 24.79042 
1 1 1   74    8    7 o  146.316   10.718  8845.29  1264.53  8272.55  1565.71  9919.67  2144.45  140.637   13.893  152.856   17.599 -12.21884 22.42195 
1 1 1   74    8    8 o  313.992   14.781 41045.44  3768.42 41808.32  5130.44 40151.60  5553.33  312.913   20.302  304.854   22.596 8.058929 30.37679 
1 1 1   74    8    9 o   76.866   12.068  2498.24  728.399  2562.93  828.618  2278.32  1527.93   77.475   13.672   72.613   23.061 4.861084 26.80905 
1 1 1   74    8   10 o   48.104   13.875  986.935  571.873  1191.67  630.691   40.321  1356.15   52.573   14.366   46.521   19.977 6.052158 24.60624 
1 1 1   74    8   11 o   60.299   14.385  1581.99  694.438  1656.40  800.952  1356.72  1393.67   61.534   15.912   60.054   21.943 1.479656 27.10513 
1 1 1   74    8   12 o  125.971   11.424  6641.52  1155.78  5185.98  1463.16  9056.89  1884.83  109.135   17.071  145.216   16.265 -36.08050 23.57869 
1 1 1   74    8   13 o   43.702   15.670  714.394  706.396  783.711  838.637  545.104  1310.60   46.420   17.012   49.748   20.371 -3.327614 26.54069 
1 1 1   74    8   14 o   40.636   15.676  511.050  732.266  437.239  854.594  714.941  1420.36   41.576   16.657   52.283   21.285 -10.70752 27.02814 
1 1 1   74    8   15 o  202.799   12.646 17563.73  2071.95 15489.61  2755.14 20263.79  3143.49  185.249   18.567  212.197   18.428 -26.94785 26.15912 
1 1 1   74   10    0 f  231.133   29.190 23699.99  5355.94   0.0000   0.0000 23699.99  5355.94  ?   ?   231.133   29.190 0.000000 29.18963 
1 1 1   74   10    1 o  105.689   28.468  5050.31  2497.72   0.0000   0.0000  5050.31  2497.72  ?   ?   105.689   28.468 0.000000 28.46800 
1 1 1   74   10    2 o  242.181   27.516 25783.30  5314.76   0.0000   0.0000 25783.30  5314.76  ?   ?   242.181   27.516 0.000000 27.51590 
1 1 1   74   10    3 o  190.410   25.761 15894.67  3880.53   0.0000   0.0000 15894.67  3880.53  ?   ?   190.410   25.761 0.000000 25.76071 
1 1 1   74   10    4 o  333.874   31.713 50148.70  8493.89   0.0000   0.0000 50148.70  8493.89  ?   ?   333.874   31.713 0.000000 31.71251 
1 1 1   74   10    5 o  369.797   33.993 62593.33 10092.66   0.0000   0.0000 62593.33 10092.66  ?   ?   369.797   33.993 0.000000 33.99335 
1 1 1   74   10    6 o   56.676   22.026  939.331  1453.87  9084.46  4775.05  107.104  1526.33  135.466   40.377   49.996   21.324 85.46939 45.66153 
1 1 1   74   10    7 o   57.195   8.6472  1369.03  389.043  1164.00  402.656  4248.34  1508.92   52.423   9.8204   98.563   19.545 -46.13966 21.87331 
1 1 1   74   10    8 o   52.469   9.7527  1166.23  400.199  1233.87  419.563  483.796  1332.71   53.970   9.9406   50.317   20.566 3.652847 22.84262 
1 1 1   74   10    9 o   45.023   10.778  868.957  388.769  746.194  410.792  1922.65  1203.50   41.867   11.655   66.592   20.365 -24.72505 23.46446 
1 1 1   74   10   10 o   49.325   11.847  1048.00  468.538  966.656  492.565  1821.25  1518.69   47.396   12.587   66.520   23.050 -19.12384 26.26284 
1 1 1   74   10   11 o   38.070   12.675  576.087  458.586  284.449  491.589  2531.90  1273.04   32.785   12.789   75.077   20.367 -42.29225 24.04909 
1 1 1   74   10   12 o  170.803   11.245 12183.30  1550.85 10996.26  1961.64 14162.01  2532.65  160.368   15.248  180.795   17.470 -20.42654 23.18864 
1 1 1   74   10   13 o   85.986   23.295  3492.34  1666.72  1442.88  7580.75  3596.44  1708.53   91.948   42.624   87.138   23.576 4.809296 48.70964 
1 1 1   74   10   14 o  147.297   11.199  9158.55  1329.40  8612.93  1630.18 10241.75  2296.93  141.062   14.436  150.524   19.233 -9.461868 24.04810 
1 1 1   74   10   15 o   77.827   12.933  2652.82  788.601  2947.90  887.618  1547.21  1718.16   81.707   13.875   61.624   23.946 20.08244 27.67527 
1 1 1   74   12    0 o  208.206   30.457 19610.18  4996.73   0.0000   0.0000 19610.18  4996.73  ?   ?   208.206   30.457 0.000000 30.45731 
1 1 1   74   12    1 o  150.000   29.440 10234.09  3457.68   0.0000   0.0000 10234.09  3457.68  ?   ?   150.000   29.440 0.000000 29.44044 
1 1 1   74   12    2 o  161.974   27.663 11759.85  3507.48   0.0000   0.0000 11759.85  3507.48  ?   ?   161.974   27.663 0.000000 27.66258 
1 1 1   74   12    3 f   81.347   28.564  2716.80  2335.92   0.0000   0.0000  2716.80  2335.92  ?   ?    81.347   28.564 0.000000 28.56401 
1 1 1   74   12    4 o  184.730   26.649 15179.09  3881.64   0.0000   0.0000 15179.09  3881.64  ?   ?   184.730   26.649 0.000000 26.64939 
1 1 1   74   12    5 o  203.177   26.463 18343.71  4262.08   0.0000   0.0000 18343.71  4262.08  ?   ?   203.177   26.463 0.000000 26.46308 
1 1 1   74   12    6 o  138.308   23.581  8473.65  2553.25 11786.05  6488.94  7866.87  2777.27  147.945   47.581  131.586   26.902 16.35892 54.65944 
1 1 1   74   12    7 o  158.261   22.903 11029.29  2857.55 11777.78  7610.34 10906.45  3083.15  144.307   51.467  156.150   25.173 -11.84303 57.29330 
1 1 1   74   12    8 o   50.880   21.095  413.710  1428.66 -3479.4551  6361.38  620.502  1466.11   80.720   37.948   53.297   21.653 27.42320 43.69122 
1 1 1   74   12    9 o  161.293   21.820 11475.20  2784.34 21415.48  8530.86 10290.04  2945.66  187.742   53.414  150.847   24.920 36.89444 58.94122 
1 1 1   74   12   10 o  200.696   19.520 17520.39  3140.64 39968.81  8987.36 14397.77  3351.96  276.272   41.334  179.063   23.632 97.20898 47.61295 
1 1 1   74   12   11 o  125.220   9.8653  6520.26  994.921  5815.82  1095.12  9849.79  2380.85  117.676   11.613  149.114   20.183 -31.43858 23.28525 
1 1 1   74   12   12 o   51.223   10.211  1125.73  409.792  962.817  425.557  3203.16  1519.65   47.137   11.271   82.987   22.142 -35.85023 24.84579 
1 1 1   74   12   13 o   30.186   10.616  339.494  322.745  266.550  331.466  1671.27  1416.31   28.593   10.656   62.462   22.211 -33.86903 24.63441 
1 1 1   74   12   14 o   52.829   21.879  716.825  1534.33  3055.06  8974.15  646.417  1557.26   90.933   43.419   52.463   21.911 38.47015 48.63464 
1 1 1   74   14    0 o  202.001   32.670 18985.39  5175.49   0.0000   0.0000 18985.39  5175.49  ?   ?   202.001   32.670 0.000000 32.66970 
1 1 1   74   14    1 o  109.224   31.988  5596.50  3018.85   0.0000   0.0000  5596.50  3018.85  ?   ?   109.224   31.988 0.000000 31.98793 
1 1 1   74   14    2 o  119.450   32.154  6742.39  3187.66   0.0000   0.0000  6742.39  3187.66  ?   ?   119.450   32.154 0.000000 32.15438 
1 1 1   74   14    3 o   75.405   27.739  2186.19  2232.56   0.0000   0.0000  2186.19  2232.56  ?   ?    75.405   27.739 0.000000 27.73881 
1 1 1   74   14    4 o  121.780   31.038  6985.54  3078.13   0.0000   0.0000  6985.54  3078.13  ?   ?   121.780   31.038 0.000000 31.03821 
1 1 1   74   14    5 o  165.339   28.141 12471.70  3642.63   0.0000   0.0000 12471.70  3642.63  ?   ?   165.339   28.141 0.000000 28.14128 
1 1 1   74   14    6 o  220.216   27.785 21980.38  4857.63   0.0000   0.0000 21980.38  4857.63  ?   ?   220.216   27.785 0.000000 27.78521 
1 1 1   74   14    7 o  128.352   25.681  7521.79  2582.98  8632.25  7187.64  7357.11  2767.88  126.496   49.026  125.762   27.841 0.7344589 56.37947 
1 1 1   74   14    8 o  210.535   23.718 19744.16  3983.98 21561.73  9205.04 19325.22  4419.33  182.469   56.409  205.565   27.141 -23.09570 62.59864 
1 1 1   74   14    9 o  168.426   23.964 12808.75  3184.81 18743.22  8588.87 11862.70  3429.29  168.172   54.798  159.580   27.456 8.591705 61.29123 
1 1 1   74   14   10 o  169.777   20.717 12786.61  2796.70 16448.21  9992.04 12475.38  2913.13  146.094   57.463  166.764   22.055 -20.67085 61.54985 
1 1 1   74   14   11 o   62.351   22.897  1550.40  1520.27  1763.67  7991.56  1542.40  1548.55   95.223   44.009   62.459   23.080 32.76425 49.69356 
1 1 1   74   14   12 o  147.807   21.686 10043.77  2525.22 13261.29  9926.56  9821.14  2611.12  122.531   53.332  145.192   22.908 -22.66056 58.04425 
1 1 1   74   14   13 o   39.258   18.179 -843.3182  1373.38 -13363.9805  9111.03 -552.2104  1389.25   70.074   35.267   41.321   18.817 28.75251 39.97314 
1 1 1   74   14   14 o   49.862   21.403  398.724  1555.49  5937.36 10372.29  271.296  1573.28   92.264   44.712   49.091   21.299 43.17255 49.52628 
1 1 1   74   16    0 o  102.935   35.058  4997.72  3508.54   0.0000   0.0000  4997.72  3508.54  ?   ?   102.935   35.058 0.000000 35.05835 
1 1 1   74   16    1 o  133.358   34.122  8662.88  3709.95   0.0000   0.0000  8662.88  3709.95  ?   ?   133.358   34.122 0.000000 34.12172 
1 1 1   74   16    2 o  124.117   32.411  7409.59  3301.76   0.0000   0.0000  7409.59  3301.76  ?   ?   124.117   32.411 0.000000 32.41112 
1 1 1   74   16    3 o  194.959   30.502 17675.72  4670.25   0.0000   0.0000 17675.72  4670.25  ?   ?   194.959   30.502 0.000000 30.50224 
1 1 1   74   16    4 o  170.387   30.293 13573.94  4037.36   0.0000   0.0000 13573.94  4037.36  ?   ?   170.387   30.293 0.000000 30.29257 
1 1 1   74   16    5 f  117.475   31.135  6630.85  3017.71   0.0000   0.0000  6630.85  3017.71  ?   ?   117.475   31.135 0.000000 31.13517 
1 1 1   74   16    6 o  192.484   28.140 17102.43  4268.08   0.0000   0.0000 17102.43  4268.08  ?   ?   192.484   28.140 0.000000 28.13965 
1 1 1   74   16    7 o  132.859   27.743  8288.95  2896.18  8923.09  8322.09  8201.57  3089.28  124.646   51.221  130.857   29.749 -6.210899 59.23336 
1 1 1   74   16    8 o   82.227   27.571  3081.66  2169.69 -1929.7900  7779.27  3504.38  2259.35   89.057   41.899   86.683   28.097 2.373795 50.44728 
1 1 1   74   16    9 o   39.058   18.373 -1374.0410  1495.07 -9393.4473  7485.81 -1040.8710  1525.81   72.678   35.795   41.366   19.157 31.31147 40.59901 
1 1 1   74   16   10 o   39.695   19.105 -2337.4480  1816.11 -6601.1260  7938.61 -2101.9829  1865.59   77.870   38.044   41.366   19.764 36.50460 42.87140 
1 1 1   74   16   11 o   83.455   26.859  3408.61  2067.39   89.182  9694.92  3566.75  2116.06   92.265   44.341   85.095   27.151 7.169403 51.99276 
1 1 1   74   16   12 o   47.344   22.184 -1392.0699  2143.68  8378.44  9724.52 -1891.1080  2197.74  103.650   48.129   45.921   21.802 57.72868 52.83639 
1 1 1   74   16   13 o   95.081   31.371  5178.89  2811.74  1568.77 11614.83  5403.63  2897.94   87.936   43.546   96.639   31.847 -8.703468 53.94839 
1 1 1   74   18    0 o   80.568   33.012  2016.62  3444.34   0.0000   0.0000  2016.62  3444.34  ?   ?    80.568   33.012 0.000000 33.01200 
1 1 1   74   18    1 o  114.077   35.915  6555.26  3712.39   0.0000   0.0000  6555.26  3712.39  ?   ?   114.077   35.915 0.000000 35.91498 
1 1 1   74   18    2 o  200.093   33.444 19391.43  5241.83   0.0000   0.0000 19391.43  5241.83  ?   ?   200.093   33.444 0.000000 33.44398 
1 1 1   74   18    3 f   98.369   32.829  4631.36  3075.83   0.0000   0.0000  4631.36  3075.83  ?   ?    98.369   32.829 0.000000 32.82862 
1 1 1   74   18    4 o  218.250   32.434 22926.86  5572.86   0.0000   0.0000 22926.86  5572.86  ?   ?   218.250   32.434 0.000000 32.43369 
1 1 1   74   18    5 o  195.154   30.527 18150.63  4678.80   0.0000   0.0000 18150.63  4678.80  ?   ?   195.154   30.527 0.000000 30.52729 
1 1 1   74   18    6 o  108.713   30.459  5799.11  2796.14   0.0000   0.0000  5799.11  2796.14  ?   ?   108.713   30.459 0.000000 30.45864 
1 1 1   74   18    7 o  155.492   27.667 11457.50  3365.10 13790.90 10061.26 11163.59  3570.75  135.278   56.027  151.499   30.089 -16.22017 63.59484 
1 1 1   74   18    8 o  123.600   30.252  7622.79  3011.41 11910.39  9884.95  7184.15  3161.70  126.032   54.023  118.532   32.072 7.499664 62.82576 
1 1 1   74   18    9 o   84.479   29.483  3449.13  2486.80  6417.93  9680.59  3239.38  2573.15  107.342   49.180   82.709   29.877 24.63268 57.54425 
1 1 1   74   18   10 o  142.048   30.647 10422.04  3430.99 11298.37 11381.48 10334.45  3598.38  113.218   52.393  139.598   32.375 -26.38012 61.58890 
1 1 1   74   18   11 o   49.061   22.787 -1088.5950  2182.40 -12306.4697 10436.54 -575.6328  2231.74   75.018   37.755   52.104   23.774 22.91422 44.61637 
1 1 1   74   18   12 f   58.833   26.237  329.463  2543.75 13499.27 11796.37 -312.7979  2605.04  103.272   49.439   56.152   25.646 47.12019 55.69468 
1 1 1   74   20    0 o   89.823   34.236  3636.76  3464.81   0.0000   0.0000  3636.76  3464.81  ?   ?    89.823   34.236 0.000000 34.23571 
1 1 1   74   20    1 o  112.352   35.537  6557.36  3631.27   0.0000   0.0000  6557.36  3631.27  ?   ?   112.352   35.537 0.000000 35.53733 
1 1 1   74   20    2 o   68.789   28.195  1340.39  2513.63   0.0000   0.0000  1340.39  2513.63  ?   ?    68.789   28.195 0.000000 28.19520 
1 1 1   74   20    3 o   64.595   26.982  933.719  2362.12   0.0000   0.0000  933.719  2362.12  ?   ?    64.595   26.982 0.000000 26.98185 
1 1 1   74   20    4 o  156.271   35.782 12695.23  4442.40   0.0000   0.0000 12695.23  4442.40  ?   ?   156.271   35.782 0.000000 35.78156 
1 1 1   74   20    5 o  100.840   34.081  5203.93  3315.47   0.0000   0.0000  5203.93  3315.47  ?   ?   100.840   34.081 0.000000 34.08134 
1 1 1   74   20    6 o   57.625   25.750 -285.8302  2463.23   0.0000   0.0000 -285.8302  2463.23  ?   ?    57.625   25.750 0.000000 25.74987 
1 1 1   74   20    7 o   59.281   26.071  142.665  2426.85   0.0000   0.0000  142.665  2426.85  ?   ?    59.281   26.071 0.000000 26.07070 
1 1 1   74   20    8 o   30.680   15.383 -4384.1558  1652.49 -3392.5681  9884.98 -4412.6641  1676.07   87.029   42.504   30.965   15.521 56.06393 45.24931 
1 1 1   74   20    9 o  152.068   32.232 12360.82  3856.23 -190.9248 12771.92 13619.84  4045.01   93.468   46.171  159.804   32.285 -66.33574 56.33910 
1 1 1   74   20   10 o   90.574   31.731  4580.58  2881.91 10529.78 12461.00  4244.38  2962.22  102.112   49.369   87.623   31.994 14.48976 58.82972 
1 1 1   74   20   11 o   49.898   23.618 -1582.1801  2540.60 11313.31 12525.36 -2135.5010  2594.54   97.008   47.476   48.457   23.194 48.55085 52.83931 
1 1 1   74   22    0 o   62.169   29.219 -2093.8020  3767.29   0.0000   0.0000 -2093.8020  3767.29  ?   ?    62.169   29.219 0.000000 29.21944 
1 1 1   74   22    1 o  130.756   42.100 10330.90  5078.94   0.0000   0.0000 10330.90  5078.94  ?   ?   130.756   42.100 0.000000 42.09976 
1 1 1   74   22    2 o   85.886   32.743  3447.48  3169.63   0.0000   0.0000  3447.48  3169.63  ?   ?    85.886   32.743 0.000000 32.74263 
1 1 1   74   22    3 o   66.288   29.345  293.224  3123.59   0.0000   0.0000  293.224  3123.59  ?   ?    66.288   29.345 0.000000 29.34455 
1 1 1   74   22    4 o  161.325   39.069 14764.09  5063.34   0.0000   0.0000 14764.09  5063.34  ?   ?   161.325   39.069 0.000000 39.06934 
1 1 1   74   22    5 o   79.732   32.412  2636.15  3287.27   0.0000   0.0000  2636.15  3287.27  ?   ?    79.732   32.412 0.000000 32.41154 
1 1 1   74   22    6 o   69.583   29.940  1228.12  3057.03   0.0000   0.0000  1228.12  3057.03  ?   ?    69.583   29.940 0.000000 29.94000 
1 1 1   74   22    7 o   81.284   32.465  3162.38  3235.23   0.0000   0.0000  3162.38  3235.23  ?   ?    81.284   32.465 0.000000 32.46539 
1 1 1   74   22    8 o   84.938   32.308  3889.59  3081.61 -4555.7378 13334.52  4366.08  3167.35   86.516   43.423   88.452   32.944 -1.936089 54.50610 
1 1 1   74   22    9 o  117.559   35.692  8650.83  3706.06 16255.54 14729.57  8136.88  3829.25  102.274   50.341  112.227   36.590 -9.953354 62.23342 
1 1 1   74   22   10 o   39.351   19.320 -3241.6040  2124.96   0.0000   0.0000 -3241.6040  2124.96  ?   ?    39.351   19.320 0.000000 19.31954 
1 1 1   74   24    0 o  153.408   49.490 17852.28  7016.07   0.0000   0.0000 17852.28  7016.07  ?   ?   153.408   49.490 0.000000 49.49039 
1 1 1   74   24    1 o  109.071   42.104  7927.21  5284.82   0.0000   0.0000  7927.21  5284.82  ?   ?   109.071   42.104 0.000000 42.10375 
1 1 1   74   24    2 o   66.123   30.160 -150.6100  3587.76   0.0000   0.0000 -150.6100  3587.76  ?   ?    66.123   30.160 0.000000 30.15999 
1 1 1   74   24    3 o   91.073   36.568  4572.03  4128.47   0.0000   0.0000  4572.03  4128.47  ?   ?    91.073   36.568 0.000000 36.56827 
1 1 1   74   24    4 f   71.557   30.376  1765.95  3071.05   0.0000   0.0000  1765.95  3071.05  ?   ?    71.557   30.376 0.000000 30.37618 
1 1 1   74   24    5 o  172.746   43.396 19864.29  6079.04   0.0000   0.0000 19864.29  6079.04  ?   ?   172.746   43.396 0.000000 43.39621 
1 1 1   74   24    6 o  142.368   42.305 14130.53  5247.99   0.0000   0.0000 14130.53  5247.99  ?   ?   142.368   42.305 0.000000 42.30499 
1 1 1   74   24    7 o   63.537   28.853  397.776  3238.08   0.0000   0.0000  397.776  3238.08  ?   ?    63.537   28.853 0.000000 28.85348 
1 1 1   74   24    8 o   63.074   27.563  1178.85  2674.76   0.0000   0.0000  1178.85  2674.76  ?   ?    63.074   27.563 0.000000 27.56274 
1 1 1   74   26    0 o   70.235   33.410 -606.1630  5209.93   0.0000   0.0000 -606.1630  5209.93  ?   ?    70.235   33.410 0.000000 33.40970 
1 1 1   74   26    1 o   76.164   35.159  1641.34  5078.88   0.0000   0.0000  1641.34  5078.88  ?   ?    76.164   35.159 0.000000 35.15931 
1 1 1   74   26    2 o   60.999   29.020 -1567.1210  3933.34   0.0000   0.0000 -1567.1210  3933.34  ?   ?    60.999   29.020 0.000000 29.02017 
1 1 1   74   26    3 o   63.375   29.761 -624.3682  3894.18   0.0000   0.0000 -624.3682  3894.18  ?   ?    63.375   29.761 0.000000 29.76087 
1 1 1   74   26    4 o   87.360   35.658  4973.03  3999.51   0.0000   0.0000  4973.03  3999.51  ?   ?    87.360   35.658 0.000000 35.65835 
1 1 1   74   26    5 o   71.685   31.361  2257.32  3471.58   0.0000   0.0000  2257.32  3471.58  ?   ?    71.685   31.361 0.000000 31.36140 
1 1 1   74   26    6 o   68.639   30.400  1904.67  3356.31   0.0000   0.0000  1904.67  3356.31  ?   ?    68.639   30.400 0.000000 30.39993 
1 1 1   74   28    0 o  114.546   50.360 22143.22  9049.51   0.0000   0.0000 22143.22  9049.51  ?   ?   114.546   50.360 0.000000 50.36000 
1 1 1   74   28    1 o   87.796   40.453  8109.74  6677.48   0.0000   0.0000  8109.74  6677.48  ?   ?    87.796   40.453 0.000000 40.45313 
1 1 1   74   28    2 o   65.891   31.570  173.066  4832.72   0.0000   0.0000  173.066  4832.72  ?   ?    65.891   31.570 0.000000 31.56983 
1 1 1   74   28    3 o   58.608   27.916 -643.4105  3662.69   0.0000   0.0000 -643.4105  3662.69  ?   ?    58.608   27.916 0.000000 27.91639 
1 1 1   74   28    4 o  104.095   42.163 11716.80  5540.52   0.0000   0.0000 11716.80  5540.52  ?   ?   104.095   42.163 0.000000 42.16307 
1 1 1   75    1    0 o   65.733   17.955  1852.66  985.386  1072.05  1303.34  2894.24  1505.52   56.904   21.145   81.638   22.149 -24.73428 30.62170 
1 1 1   75    1    1 o  283.991   18.379 33678.88  4215.42 35133.92  5889.33 32150.25  6036.39  286.434   25.592  272.746   27.639 13.68811 37.66758 
1 1 1   75    1    2 o  164.447   14.359 11230.56  1898.06 10925.36  2589.23 11585.07  2790.58  160.404   20.337  164.886   21.344 -4.482666 29.48176 
1 1 1   75    1    3 o  163.240   13.762 11054.63  1807.10 11009.94  2478.63 11105.35  2640.28  161.271   19.313  161.533   20.599 -0.2623291 28.23660 
1 1 1   75    1    4 o  178.380   13.504 13185.62  1941.43 12902.00  2673.00 13502.29  2824.45  174.669   19.162  178.484   19.824 -3.814407 27.57126 
1 1 1   75    1    5 o  298.212   17.420 37179.76  4199.75 37343.68  5855.46 37006.10  6026.95  294.641   24.703  292.687   25.618 1.953735 35.58875 
1 1 1   75    1    6 o  132.688   11.617  7290.41  1238.98  7582.66  1640.96  6902.90  1889.59  134.399   15.310  127.065   18.889 7.333359 24.31505 
1 1 1   75    1    7 o   48.440   14.447  985.280  611.156 -99.5995  827.782  2285.24  906.130   35.610   15.450   72.792   15.786 -37.18164 22.08821 
1 1 1   75    1    8 o  293.862   18.403 36451.01  4368.95 35695.62  4933.96 39194.15  9402.31  289.022   21.172  283.670   42.098 5.351868 47.12227 
1 1 1   75    1    9 o  214.182   16.272 19293.27  2808.61 16302.76  7008.38 19865.45  3065.54  174.899   47.929  216.736   17.571 -41.83690 51.04796 
1 1 1   75    1   10 o  169.111   11.823 11870.96  1613.19 11055.75  2256.04 12723.89  2307.64  161.070   17.533  173.318   16.601 -12.24722 24.14561 
1 1 1   75    1   11 o  143.180   11.838  8542.06  1363.94  9210.32  1911.96  7849.57  1946.31  147.092   16.282  134.867   18.241 12.22466 24.45063 
1 1 1   75    1   12 o   56.333   16.914  1367.42  835.640   47.289  1229.98  2499.11  1138.82   44.340   19.032   74.956   18.757 -30.61663 26.72183 
1 1 1   75    1   13 o   90.643   15.047  3556.57  1068.60  2691.11  1509.39  4426.26  1513.09   76.803   22.655   99.545   19.417 -22.74268 29.83721 
1 1 1   75    1   14 o   81.377   16.721  2945.06  1067.92  2462.60  1519.74  3415.68  1500.97   73.168   22.970   85.790   21.570 -12.62272 31.51013 
1 1 1   75    1   15 o  109.737   14.755  5252.35  1281.38  6411.08  1801.69  4066.33  1822.78  118.679   19.365   91.366   24.190 27.31267 30.98604 
1 1 1   75    3    0 o  164.161   15.776 11238.68  2076.98 10637.32  2730.19 12064.82  3200.02  157.751   21.906  167.277   24.269 -9.525711 32.69315 
1 1 1   75    3    1 f  172.324   14.764 12338.77  2045.90 12207.37  2706.78 12513.88  3124.69  169.795   20.018  170.803   23.125 -1.007538 30.58582 
1 1 1   75    3    2 o  180.717   14.476 13556.74  2106.27 14115.58  2747.41 12760.05  3280.37  183.102   18.744  171.983   24.157 11.11896 30.57592 
1 1 1   75    3    3 o  322.235   18.506 43457.36  4821.71 40517.41  6563.26 46904.61  7106.99  306.238   26.661  329.533   26.793 -23.29449 37.79798 
1 1 1   75    3    4 o  297.193   17.419 36899.47  4184.93 36177.33  5676.54 37759.27  6194.02  290.443   24.294  295.585   26.075 -5.142334 35.63828 
1 1 1   75    3    5 o   45.656   15.952  776.196  728.128  776.196  728.128   0.0000   0.0000   45.656   15.952  ?   ?  0.000000 15.95228 
1 1 1   75    3    6 o   74.882   16.152  2417.80  953.179  2417.80  953.179   0.0000   0.0000   74.882   16.152  ?   ?  0.000000 16.15156 
1 1 1   75    3    7 o  124.045   11.539  6383.13  1148.88  7049.51  1514.69  5480.41  1762.94  129.604   14.651  112.429   20.047 17.17556 24.82990 
1 1 1   75    3    8 o  282.700   13.862 33122.88  3181.90 33394.33  4437.00 32835.48  4565.51  280.406   19.611  277.540   20.402 2.865509 28.29950 
1 1 1   75    3    9 o  163.231   11.682 11044.04  1538.08 10195.97  2104.53 12016.40  2253.46  155.032   16.997  168.563   16.684 -13.53049 23.81688 
1 1 1   75    3   10 f  148.083   16.770  9329.30  1980.87 -3549.8560  6182.63 10802.60  2091.10   79.956   37.532  159.636   16.364 -79.67923 40.94428 
1 1 1   75    3   11 o  131.719   12.575  7264.76  1328.58  6349.54  1826.25  8293.67  1936.36  120.605   19.300  138.928   17.558 -18.32354 26.09121 
1 1 1   75    3   12 o  172.637   12.670 12478.68  1763.64  9674.80  2451.55 15486.35  2539.08  147.985   20.991  190.442   16.586 -42.45706 26.75260 
1 1 1   75    3   13 o   61.088   17.977  1644.03  951.443  1680.88  1385.06  1611.11  1309.23   63.396   22.010   62.071   21.407 1.325829 30.70370 
1 1 1   75    3   14 o   56.759   18.210  1399.26  950.920  2508.78  1460.65  583.080  1252.77   73.666   22.416   49.152   19.998 24.51417 30.04003 
1 1 1   75    3   15 o   58.050   19.723  1469.51  1110.37  932.544  1473.65  2174.76  1688.85   54.600   21.874   69.014   24.284 -14.41430 32.68349 
1 1 1   75    5    0 o  180.512   12.078 13438.64  1760.11 13438.64  1760.11   0.0000   0.0000  180.512   12.078  ?   ?  0.000000 12.07839 
1 1 1   75    5    1 o  181.546   14.429 13684.39  2109.42 13684.39  2109.42   0.0000   0.0000  181.546   14.429  ?   ?  0.000000 14.42898 
1 1 1   75    5    2 o   58.543   14.389  1470.42  679.112  1470.42  679.112   0.0000   0.0000   58.543   14.389  ?   ?  0.000000 14.38865 
1 1 1   75    5    3 o  184.061   17.329 14220.13  2559.32 14220.13  2559.32   0.0000   0.0000  184.061   17.329  ?   ?  0.000000 17.32875 
1 1 1   75    5    4 o  288.572   16.782 34760.11  3915.13 32369.91  5201.71 37883.61  5946.35  274.836   23.537  296.531   24.928 -21.69537 34.28391 
1 1 1   75    5    5 o  371.655   20.448 58411.18  6146.82 56202.25  8372.03 60994.50  9053.77  357.351   29.106  371.156   30.307 -13.80591 42.02007 
1 1 1   75    5    6 o  245.708   13.939 25053.57  2769.52 24581.81  3517.77 25822.73  4491.76  241.613   18.062  245.102   22.833 -3.488663 29.11298 
1 1 1   75    5    7 o   69.627   13.319  2068.49  725.551  2651.59  898.657  976.725  1229.66   78.762   14.589   54.528   20.484 24.23473 25.14831 
1 1 1   75    5    8 o  128.462   11.354  6847.19  1172.08  5332.58  1537.06  8951.57  1811.77  111.484   17.561  145.766   15.547 -34.28210 23.45454 
1 1 1   75    5    9 o  117.469   11.938  5754.75  1122.88  5492.63  1467.03  6125.54  1744.83  113.419   16.407  119.092   18.657 -5.673447 24.84443 
1 1 1   75    5   10 o   34.262   13.883  218.279  600.938  166.618  764.672  301.714  971.790   37.103   15.413   42.642   17.511 -5.539291 23.32758 
1 1 1   75    5   11 o  155.269   12.213 10062.96  1527.25 10131.67  2078.47  9982.32  2251.61  153.917   16.910  151.958   18.640 1.958954 25.16686 
1 1 1   75    5   12 o   99.991   12.875  4235.75  1021.07  3283.97  1344.77  5531.49  1569.05   85.595   19.751  112.601   17.749 -27.00558 26.55419 
1 1 1   75    5   13 o  145.621   12.264  8923.40  1436.64  8293.69  1931.70  9702.80  2149.08  137.802   17.671  148.912   18.149 -11.11053 25.33137 
1 1 1   75    5   14 o  102.174   13.474  4486.82  1090.55  3129.61  1443.34  6292.45  1664.79   81.908   21.449  119.091   17.759 -37.18349 27.84664 
1 1 1   75    5   15 o  128.596   12.735  7087.29  1312.21  6056.84  1718.79  8527.12  2031.72  115.176   19.045  137.250   18.719 -22.07386 26.70406 
1 1 1   75    7    0 o  182.270   26.983 14576.41  3872.79   0.0000   0.0000 14576.41  3872.79  ?   ?   182.270   26.983 0.000000 26.98339 
1 1 1   75    7    1 o  267.340   28.419 31316.85  6074.32   0.0000   0.0000 31316.85  6074.32  ?   ?   267.340   28.419 0.000000 28.41884 
1 1 1   75    7    2 o  262.269   27.725 30082.32  5814.69   0.0000   0.0000 30082.32  5814.69  ?   ?   262.269   27.725 0.000000 27.72525 
1 1 1   75    7    3 o  204.730   25.311 18226.86  4117.91   0.0000   0.0000 18226.86  4117.91  ?   ?   204.730   25.311 0.000000 25.31097 
1 1 1   75    7    4 o  110.176   24.103  5376.66  2096.25   0.0000   0.0000  5376.66  2096.25  ?   ?   110.176   24.103 0.000000 24.10271 
1 1 1   75    7    5 o   52.055   12.610  1161.27  527.359  1299.36  575.268  434.264  1319.95   55.032   13.069   49.937   20.446 5.095123 24.26552 
1 1 1   75    7    6 o   96.937   11.347  3916.35  876.239  3692.39  1016.76  4562.80  1727.43   93.503   13.808  101.847   21.561 -8.344261 25.60301 
1 1 1   75    7    7 o  315.197   15.064 41344.37  3855.21 41546.75  5262.90 41110.04  5663.26  311.865   20.905  308.822   22.745 3.042816 30.89232 
1 1 1   75    7    8 o  218.943   12.697 19894.64  2247.58 17620.24  2995.45 22824.76  3399.94  203.608   18.315  231.983   18.196 -28.37544 25.81707 
1 1 1   75    7    9 o  119.305   11.422  5926.10  1092.97  5528.94  1312.38  6825.04  1974.44  114.344   14.459  125.124   20.116 -10.78030 24.77275 
1 1 1   75    7   10 o   99.861   11.732  4180.12  933.170  4328.41  1157.76  3905.13  1576.58  100.813   14.566   93.464   21.255 7.348770 25.76708 
1 1 1   75    7   11 o   73.914   13.463  2346.46  778.201  1777.34  951.539  3495.95  1352.32   63.616   17.749   88.685   19.326 -25.06859 26.23940 
1 1 1   75    7   12 o   80.292   21.776  2938.57  1455.55 -4422.5732  6297.31  3354.04  1496.06   75.669   36.197   85.785   21.516 -10.11560 42.10937 
1 1 1   75    7   13 o  118.619   12.144  5946.04  1153.16  6107.39  1410.60  5620.96  2002.24  119.081   14.916  109.980   23.154 9.100960 27.54237 
1 1 1   75    7   14 o  131.887   12.200  7383.81  1291.71  5666.16  1632.13 10263.26  2113.20  112.214   18.562  152.489   17.378 -40.27483 25.42686 
1 1 1   75    7   15 o   59.996   16.506  1636.99  829.319  735.603  982.822  3865.66  1545.41   46.779   18.129   89.864   21.473 -43.08489 28.10250 
1 1 1   75    9    0 o  185.374   28.459 15287.56  4146.65   0.0000   0.0000 15287.56  4146.65  ?   ?   185.374   28.459 0.000000 28.45864 
1 1 1   75    9    1 o  154.482   28.180 10675.55  3404.46   0.0000   0.0000 10675.55  3404.46  ?   ?   154.482   28.180 0.000000 28.17970 
1 1 1   75    9    2 f  182.137   26.028 14573.62  3739.84   0.0000   0.0000 14573.62  3739.84  ?   ?   182.137   26.028 0.000000 26.02838 
1 1 1   75    9    3 o  177.635   26.233 13905.67  3669.80   0.0000   0.0000 13905.67  3669.80  ?   ?   177.635   26.233 0.000000 26.23279 
1 1 1   75    9    4 o   57.893   23.464  721.115  1716.95   0.0000   0.0000  721.115  1716.95  ?   ?    57.893   23.464 0.000000 23.46359 
1 1 1   75    9    5 o   99.199   25.202  4419.92  2033.96   0.0000   0.0000  4419.92  2033.96  ?   ?    99.199   25.202 0.000000 25.20182 
1 1 1   75    9    6 o  147.050   22.224  9431.16  2570.81 12737.15  6662.93  8852.91  2786.58  154.962   48.006  141.015   25.265 13.94675 54.24868 
1 1 1   75    9    7 o   58.323   10.603  1441.22  483.605  1259.51  511.212  2988.58  1491.81   54.218   11.936   82.043   21.960 -27.82491 24.99382 
1 1 1   75    9    8 o  218.059   12.368 19737.60  2180.85 19148.60  2788.44 20665.42  3499.72  213.091   16.238  219.440   19.857 -6.348938 25.65103 
1 1 1   75    9    9 o   42.810   12.357  776.734  453.450  956.843  485.264 -463.3255  1273.30   47.202   12.473   41.166   18.446 6.035870 22.26741 
1 1 1   75    9   10 o  138.029   11.354  7935.87  1261.24  7469.89  1486.84  9131.43  2381.60  133.024   13.975  144.048   20.978 -11.02469 25.20649 
1 1 1   75    9   11 o   68.949   12.388  2036.09  668.058  1885.78  753.416  2588.97  1444.96   65.784   14.496   75.751   22.115 -9.967018 26.44270 
1 1 1   75    9   12 o   27.926   11.949  -0.3497  482.074 -612.2031  528.992  2997.10  1170.85   22.692   10.751   81.913   18.087 -59.22062 21.04129 
1 1 1   75    9   13 o  248.804   20.481 27697.72  4100.81 27622.00 11354.49 27709.08  4397.63  170.261   62.568  246.930   22.170 -76.66890 66.37935 
1 1 1   75    9   14 o  124.851   12.310  6649.00  1231.71  6583.59  1484.08  6793.81  2207.99  122.712   15.222  119.081   23.670 3.631355 28.14159 
1 1 1   75    9   15 o   65.316   15.346  1934.72  800.063  1636.12  888.908  3208.44  1835.91   59.663   17.325   79.494   25.282 -19.83062 30.64835 
1 1 1   75   11    0 o  162.652   30.525 12082.03  3883.29   0.0000   0.0000 12082.03  3883.29  ?   ?   162.652   30.525 0.000000 30.52479 
1 1 1   75   11    1 o  215.941   28.594 20822.50  4890.27   0.0000   0.0000 20822.50  4890.27  ?   ?   215.941   28.594 0.000000 28.59397 
1 1 1   75   11    2 o   55.051   23.782 -14.5375  1944.39   0.0000   0.0000 -14.5375  1944.39  ?   ?    55.051   23.782 0.000000 23.78176 
1 1 1   75   11    3 o  258.951   28.762 29922.41  5945.22   0.0000   0.0000 29922.41  5945.22  ?   ?   258.951   28.762 0.000000 28.76155 
1 1 1   75   11    4 o   87.226   27.167  3372.91  2130.59   0.0000   0.0000  3372.91  2130.59  ?   ?    87.226   27.167 0.000000 27.16715 
1 1 1   75   11    5 o   90.968   26.833  3727.68  2117.57   0.0000   0.0000  3727.68  2117.57  ?   ?    90.968   26.833 0.000000 26.83332 
1 1 1   75   11    6 o  188.896   22.052 15508.09  3318.57 18061.70  7578.66 14902.29  3691.28  181.365   49.898  183.154   25.514 -1.788788 56.04303 
1 1 1   75   11    7 o   70.293   24.356  2022.70  1695.66 10582.42  5666.55  1180.84  1777.09  141.562   44.340   62.270   24.309 79.29216 50.56664 
1 1 1   75   11    8 o   94.085   24.799  4037.31  1921.28  1993.72  6875.71  4210.39  2000.99   99.630   43.847   95.924   25.320 3.705971 50.63278 
1 1 1   75   11    9 o   87.156   8.8412  3151.00  617.014  2884.36  665.563  4781.23  1645.69   83.078   10.072  103.851   20.244 -20.77290 22.61121 
1 1 1   75   11   10 o  138.650   9.3592  7952.61  1047.49  6542.10  1202.24 12397.94  2134.30  124.921   12.000  170.723   15.568 -45.80122 19.65617 
1 1 1   75   11   11 o  147.334   10.092  9020.90  1200.01  7838.28  1405.63 12199.56  2304.47  136.302   12.853  168.051   17.128 -31.74977 21.41384 
1 1 1   75   11   12 o   39.012   11.739  643.825  402.214  427.460  419.863  3056.44  1402.03   34.071   12.095   81.425   21.051 -47.35450 24.27861 
1 1 1   75   11   13 o   46.456   12.286  942.560  470.562  955.203  498.445  838.944  1426.92   46.759   12.769   53.464   21.487 -6.704994 24.99508 
1 1 1   75   11   14 o   37.035   13.020  531.214  485.393  493.587  512.146  863.408  1521.74   36.667   13.316   54.025   22.017 -17.35849 25.73078 
1 1 1   75   13    0 o  114.078   33.346  6167.85  3283.45   0.0000   0.0000  6167.85  3283.45  ?   ?   114.078   33.346 0.000000 33.34628 
1 1 1   75   13    1 o  110.173   31.593  5684.28  2972.68   0.0000   0.0000  5684.28  2972.68  ?   ?   110.173   31.593 0.000000 31.59293 
1 1 1   75   13    2 o  166.486   29.010 12631.08  3779.05   0.0000   0.0000 12631.08  3779.05  ?   ?   166.486   29.010 0.000000 29.00994 
1 1 1   75   13    3 o  112.027   29.659  5836.61  2740.32   0.0000   0.0000  5836.61  2740.32  ?   ?   112.027   29.659 0.000000 29.65935 
1 1 1   75   13    4 o  131.133   28.864  7940.70  2990.06   0.0000   0.0000  7940.70  2990.06  ?   ?   131.133   28.864 0.000000 28.86442 
1 1 1   75   13    5 o  240.177   28.620 26122.69  5471.46   0.0000   0.0000 26122.69  5471.46  ?   ?   240.177   28.620 0.000000 28.62017 
1 1 1   75   13    6 o   92.608   27.820  3931.96  2260.35   0.0000   0.0000  3931.96  2260.35  ?   ?    92.608   27.820 0.000000 27.81998 
1 1 1   75   13    7 o  102.237   26.247  4827.29  2190.03  1251.35  6756.63  5247.08  2315.01   96.179   42.836  106.394   26.809 -10.21512 50.53373 
1 1 1   75   13    8 o  210.326   23.364 19638.42  3922.58 31217.78  9824.78 17442.61  4278.37  228.617   53.819  194.737   27.851 33.88010 60.59880 
1 1 1   75   13    9 o   54.712   22.488  626.227  1604.65 -1574.2889  6727.10  758.987  1652.35   85.740   39.885   56.444   22.966 29.29600 46.02406 
1 1 1   75   13   10 o   58.741   22.824  1135.42  1560.88  2716.55  8501.67  1080.26  1587.87  102.068   46.506   58.454   22.934 43.61391 51.85307 
1 1 1   75   13   11 o  123.021   23.911  7050.34  2302.39 12843.09  9993.37  6725.63  2366.04  128.268   54.632  119.241   25.225 9.026337 60.17417 
1 1 1   75   13   12 o  106.225   25.312  5472.92  2152.14 10024.66  9244.46  5212.10  2212.94  114.706   50.645  102.923   26.363 11.78349 57.09586 
1 1 1   75   13   13 o  108.708   9.7448  4966.87  851.020  4879.71  936.450  5380.26  2039.39  107.289   10.901  104.699   24.435 2.589600 26.75628 
1 1 1   75   13   14 o   67.082   24.352  2119.31  1712.59 -9868.8887 12055.01  2366.25  1730.13   77.835   39.343   69.778   24.576 8.057541 46.38864 
1 1 1   75   15    0 o  282.252   35.501 38167.93  7956.18   0.0000   0.0000 38167.93  7956.18  ?   ?   282.252   35.501 0.000000 35.50143 
1 1 1   75   15    1 o  186.376   32.360 16363.29  4719.42   0.0000   0.0000 16363.29  4719.42  ?   ?   186.376   32.360 0.000000 32.35995 
1 1 1   75   15    2 o   94.661   31.095  4106.61  2763.64   0.0000   0.0000  4106.61  2763.64  ?   ?    94.661   31.095 0.000000 31.09549 
1 1 1   75   15    3 o  200.539   30.163 18601.44  4759.44   0.0000   0.0000 18601.44  4759.44  ?   ?   200.539   30.163 0.000000 30.16336 
1 1 1   75   15    4 o  168.729   29.908 13248.71  3947.49   0.0000   0.0000 13248.71  3947.49  ?   ?   168.729   29.908 0.000000 29.90823 
1 1 1   75   15    5 o  137.523   30.407  8957.64  3305.14   0.0000   0.0000  8957.64  3305.14  ?   ?   137.523   30.407 0.000000 30.40668 
1 1 1   75   15    6 o  235.433   29.550 25718.58  5524.44   0.0000   0.0000 25718.58  5524.44  ?   ?   235.433   29.550 0.000000 29.55008 
1 1 1   75   15    7 o   91.146   28.141  3880.79  2291.76  6989.94  7579.60  3567.95  2404.29  117.169   48.586   88.023   29.008 29.14613 56.58656 
1 1 1   75   15    8 o   42.144   19.267 -794.6759  1474.74 -14909.2305  6983.67 -135.8958  1508.76   63.298   31.722   47.152   20.651 16.14602 37.85105 
1 1 1   75   15    9 o  126.576   27.341  7635.73  2727.91  870.851  8814.35  8352.31  2868.75   97.892   45.577  132.370   27.586 -34.47832 53.27472 
1 1 1   75   15   10 o  201.919   25.934 19111.19  4153.59 12645.58 11080.82 20168.18  4480.26  125.561   55.442  205.847   27.492 -80.28640 61.88404 
1 1 1   75   15   11 o   88.529   26.870  3863.71  2100.67 12449.15  9596.36  3431.61  2152.88  121.510   52.662   83.793   27.441 37.71743 59.38274 
1 1 1   75   15   12 o  113.769   31.108  6969.55  2956.15  5909.73 12202.11  7035.64  3046.92  100.306   48.582  113.657   31.778 -13.35105 58.05230 
1 1 1   75   15   13 f   60.109   24.999  1145.09  2015.31 -15038.6699 10871.84  1720.99  2050.86   71.908   36.461   64.913   25.873 6.995857 44.70806 
1 1 1   75   17    0 o  232.299   36.825 26799.82  6714.19   0.0000   0.0000 26799.82  6714.19  ?   ?   232.299   36.825 0.000000 36.82489 
1 1 1   75   17    1 f  155.621   35.655 12082.98  4408.67   0.0000   0.0000 12082.98  4408.67  ?   ?   155.621   35.655 0.000000 35.65480 
1 1 1   75   17    2 o   81.439   30.844  2642.77  2801.14   0.0000   0.0000  2642.77  2801.14  ?   ?    81.439   30.844 0.000000 30.84415 
1 1 1   75   17    3 o   93.825   32.086  4095.25  2939.01   0.0000   0.0000  4095.25  2939.01  ?   ?    93.825   32.086 0.000000 32.08631 
1 1 1   75   17    4 o   62.262   26.469  521.776  2337.82   0.0000   0.0000  521.776  2337.82  ?   ?    62.262   26.469 0.000000 26.46897 
1 1 1   75   17    5 o   68.275   27.796  1293.39  2422.28   0.0000   0.0000  1293.39  2422.28  ?   ?    68.275   27.796 0.000000 27.79598 
1 1 1   75   17    6 o  142.366   31.954  9959.97  3603.16   0.0000   0.0000  9959.97  3603.16  ?   ?   142.366   31.954 0.000000 31.95429 
1 1 1   75   17    7 o   69.066   27.171  1653.81  2234.53  3191.63  8486.63  1539.25  2316.26  103.212   46.809   68.753   27.467 34.45918 54.27253 
1 1 1   75   17    8 o   53.249   23.123  101.195  1857.46 -12209.3398  8467.77  723.490  1903.83   73.448   36.510   58.347   24.285 15.10067 43.84921 
1 1 1   75   17    9 o   90.337   27.827  3999.63  2242.32  6785.84  9591.66  3838.55  2306.23  109.224   49.623   88.553   28.354 20.67122 57.15262 
1 1 1   75   17   10 o   79.273   29.898  2911.21  2625.02  3748.85 10078.20  2850.25  2718.87   99.234   46.989   79.060   30.281 20.17419 55.90086 
1 1 1   75   17   11 o   88.659   30.916  4175.89  2734.21 -3936.4309 11027.46  4707.28  2822.34   85.717   42.444   93.177   31.445 -7.459656 52.82297 
1 1 1   75   17   12 o   61.770   26.911  827.867  2532.54 -10286.2803 11615.18  1382.61  2594.98   77.239   38.991   65.533   27.874 11.70618 47.92985 
1 1 1   75   19    0 o  105.518   38.073  5703.65  4176.87   0.0000   0.0000  5703.65  4176.87  ?   ?   105.518   38.073 0.000000 38.07332 
1 1 1   75   19    1 o  159.868   38.498 13513.95  4937.65   0.0000   0.0000 13513.95  4937.65  ?   ?   159.868   38.498 0.000000 38.49802 
1 1 1   75   19    2 o  201.608   35.722 20541.31  5633.61   0.0000   0.0000 20541.31  5633.61  ?   ?   201.608   35.722 0.000000 35.72205 
1 1 1   75   19    3 o  104.151   34.607  5479.91  3419.49   0.0000   0.0000  5479.91  3419.49  ?   ?   104.151   34.607 0.000000 34.60714 
1 1 1   75   19    4 o  107.511   34.523  5917.81  3417.01   0.0000   0.0000  5917.81  3417.01  ?   ?   107.511   34.523 0.000000 34.52274 
1 1 1   75   19    5 o   87.353   32.183  3512.14  3006.79   0.0000   0.0000  3512.14  3006.79  ?   ?    87.353   32.183 0.000000 32.18265 
1 1 1   75   19    6 o  146.382   34.393 11114.90  4018.53   0.0000   0.0000 11114.90  4018.53  ?   ?   146.382   34.393 0.000000 34.39312 
1 1 1   75   19    7 o   44.635   21.131 -1888.5540  2036.03   0.0000   0.0000 -1888.5540  2036.03  ?   ?    44.635   21.131 0.000000 21.13096 
1 1 1   75   19    8 o  134.993   30.075  9245.25  3212.08 14565.31 11580.01  8801.80  3343.27  123.760   55.529  129.852   31.932 -6.092812 64.05513 
1 1 1   75   19    9 o  126.292   32.417  8599.29  3341.04 17383.81 12021.60  7863.99  3478.06  123.576   55.909  118.610   34.220 4.965729 65.54984 
1 1 1   75   19   10 o  104.088   30.255  5879.38  2709.68  6170.69 12315.33  5864.56  2777.75   97.975   47.760  103.462   30.786 -5.486649 56.82235 
1 1 1   75   19   11 o   42.827   20.749 -2670.5540  2229.63 -13695.1299 11923.17 -2271.0669  2269.67   74.483   37.809   44.660   21.460 29.82291 43.47528 
1 1 1   75   21    0 o  204.421   44.588 24583.92  7192.43   0.0000   0.0000 24583.92  7192.43  ?   ?   204.421   44.588 0.000000 44.58764 
1 1 1   75   21    1 o  129.743   41.272  9872.91  4892.42   0.0000   0.0000  9872.91  4892.42  ?   ?   129.743   41.272 0.000000 41.27188 
1 1 1   75   21    2 o  148.084   39.388 12316.75  4818.46   0.0000   0.0000 12316.75  4818.46  ?   ?   148.084   39.388 0.000000 39.38831 
1 1 1   75   21    3 o   78.268   32.124  2213.47  3268.61   0.0000   0.0000  2213.47  3268.61  ?   ?    78.268   32.124 0.000000 32.12445 
1 1 1   75   21    4 o   94.391   33.003  4549.08  3116.73   0.0000   0.0000  4549.08  3116.73  ?   ?    94.391   33.003 0.000000 33.00278 
1 1 1   75   21    5 f   47.542   22.689 -2442.0000  2444.18   0.0000   0.0000 -2442.0000  2444.18  ?   ?    47.542   22.689 0.000000 22.68937 
1 1 1   75   21    6 o   77.945   31.599  2483.20  3114.76   0.0000   0.0000  2483.20  3114.76  ?   ?    77.945   31.599 0.000000 31.59858 
1 1 1   75   21    7 o   39.747   19.484 -3509.9309  2135.02   0.0000   0.0000 -3509.9309  2135.02  ?   ?    39.747   19.484 0.000000 19.48394 
1 1 1   75   21    8 o   34.212   17.091 -4618.1968  1955.39  7210.24 11865.76 -4948.3828  1982.49  100.156   48.363   33.812   16.938 66.34375 51.24376 
1 1 1   75   21    9 o  113.606   34.529  7759.31  3467.17 -1399.8879 14137.93  8345.41  3576.38   88.230   44.342  117.589   34.919 -29.35964 56.44070 
1 1 1   75   21   10 o   84.404   31.563  4143.54  2913.10 -15307.2305 16437.26  4774.27  2959.95   78.690   40.318   89.324   32.072 -10.63397 51.51821 
1 1 1   75   23    0 o   84.313   36.894  2629.01  4806.83   0.0000   0.0000  2629.01  4806.83  ?   ?    84.313   36.894 0.000000 36.89408 
1 1 1   75   23    1 o  111.804   39.741  7700.27  4533.85   0.0000   0.0000  7700.27  4533.85  ?   ?   111.804   39.741 0.000000 39.74054 
1 1 1   75   23    2 o  123.045   41.297  9642.52  4867.60   0.0000   0.0000  9642.52  4867.60  ?   ?   123.045   41.297 0.000000 41.29684 
1 1 1   75   23    3 o  ?   ?  -6060.3389  1556.24   0.0000   0.0000 -6060.3389  1556.24  ?   ?   ?   ?  0.000000      ? 
1 1 1   75   23    4 o  101.233   37.704  6138.04  4148.64   0.0000   0.0000  6138.04  4148.64  ?   ?   101.233   37.704 0.000000 37.70395 
1 1 1   75   23    5 o  140.830   38.613 12115.37  4547.29   0.0000   0.0000 12115.37  4547.29  ?   ?   140.830   38.613 0.000000 38.61266 
1 1 1   75   23    6 o   91.154   35.751  4866.64  3857.26   0.0000   0.0000  4866.64  3857.26  ?   ?    91.154   35.751 0.000000 35.75054 
1 1 1   75   23    7 o  123.202   39.735 10357.47  4522.96   0.0000   0.0000 10357.47  4522.96  ?   ?   123.202   39.735 0.000000 39.73512 
1 1 1   75   23    8 o  101.431   34.889  6631.10  3476.31   0.0000   0.0000  6631.10  3476.31  ?   ?   101.431   34.889 0.000000 34.88892 
1 1 1   75   23    9 f   63.635   27.396  1454.80  2562.33   0.0000   0.0000  1454.80  2562.33  ?   ?    63.635   27.396 0.000000 27.39559 
1 1 1   75   25    0 o   71.585   33.706 -279.0840  5053.43   0.0000   0.0000 -279.0840  5053.43  ?   ?    71.585   33.706 0.000000 33.70619 
1 1 1   75   25    1 o   97.265   41.002  6694.95  5533.35   0.0000   0.0000  6694.95  5533.35  ?   ?    97.265   41.002 0.000000 41.00238 
1 1 1   75   25    2 o   64.935   30.284 -539.4856  3918.54   0.0000   0.0000 -539.4856  3918.54  ?   ?    64.935   30.284 0.000000 30.28444 
1 1 1   75   25    3 o   49.417   23.676 -2295.7810  2717.23   0.0000   0.0000 -2295.7810  2717.23  ?   ?    49.417   23.676 0.000000 23.67568 
1 1 1   75   25    4 o   80.178   34.800  3262.27  4202.88   0.0000   0.0000  3262.27  4202.88  ?   ?    80.178   34.800 0.000000 34.80003 
1 1 1   75   25    5 o   58.623   27.702 -1207.7440  3469.72   0.0000   0.0000 -1207.7440  3469.72  ?   ?    58.623   27.702 0.000000 27.70235 
1 1 1   75   25    6 o  105.267   40.410  8960.00  4848.63   0.0000   0.0000  8960.00  4848.63  ?   ?   105.267   40.410 0.000000 40.40958 
1 1 1   75   25    7 o   65.480   30.023  962.856  3616.77   0.0000   0.0000  962.856  3616.77  ?   ?    65.480   30.023 0.000000 30.02267 
1 1 1   75   27    0 o   73.014   35.052  1162.96  6022.79   0.0000   0.0000  1162.96  6022.79  ?   ?    73.014   35.052 0.000000 35.05175 
1 1 1   75   27    1 o   74.188   35.129  1952.90  5632.40   0.0000   0.0000  1952.90  5632.40  ?   ?    74.188   35.129 0.000000 35.12876 
1 1 1   75   27    2 o  132.454   50.329 20554.10  7473.40   0.0000   0.0000 20554.10  7473.40  ?   ?   132.454   50.329 0.000000 50.32909 
1 1 1   75   27    3 o   65.904   31.206  284.292  4444.69   0.0000   0.0000  284.292  4444.69  ?   ?    65.904   31.206 0.000000 31.20607 
1 1 1   75   27    4 o   76.661   34.938  3703.58  4802.24   0.0000   0.0000  3703.58  4802.24  ?   ?    76.661   34.938 0.000000 34.93826 
1 1 1   75   29    0 o   83.943   40.621 12811.06  8483.48   0.0000   0.0000 12811.06  8483.48  ?   ?    83.943   40.621 0.000000 40.62076 
1 1 1   76    0    0 o  240.352   26.079 24999.11  4937.62   0.0000   0.0000 24999.11  4937.62  240.352   26.079  240.352   26.079 0.000000 0.000000 
1 1 1   76    0    1 o   91.539   27.188  4287.22  1758.31   0.0000   0.0000  4287.22  1758.31   91.539   27.188   91.539   27.188 0.000000 0.000000 
1 1 1   76    0    2 o   25.032   16.487 -151.6405  855.443   0.0000   0.0000 -151.6405  855.443   25.032   16.487   25.032   16.487 0.000000 0.000000 
1 1 1   76    0    3 o   93.341   23.106  4209.02  1515.79   0.0000   0.0000  4209.02  1515.79   93.341   23.106   93.341   23.106 0.000000 0.000000 
1 1 1   76    0    4 o   68.390   24.138  2554.49  1217.84   0.0000   0.0000  2554.49  1217.84   68.390   24.138   68.390   24.138 0.000000 0.000000 
1 1 1   76    0    5 o   69.818   22.755  2576.76  1142.00   0.0000   0.0000  2576.76  1142.00   69.818   22.755   69.818   22.755 0.000000 0.000000 
1 1 1   76    0    6 o   49.565   22.792  1501.26  1005.58   0.0000   0.0000  1501.26  1005.58   49.565   22.792   49.565   22.792 0.000000 0.000000 
1 1 1   76    0    7 o  ?   ?  -1699.4709  386.750 -11776.7197  3697.02 -1587.9709  388.883   27.979   20.690   27.979   20.690 0.000000 0.000000 
1 1 1   76    0    8 o  449.204   56.733 109210.20 19795.01 109210.20 19795.01   0.0000   0.0000  449.204   56.733  449.204   56.733 0.000000 0.000000 
1 1 1   76    0    9 o  213.724   19.044 19693.55  3244.51 15348.38  7449.80 20710.63  3604.28  141.004   62.079  218.102   20.786 0.000000 0.000000 
1 1 1   76    0   10 o   26.370   17.012   38.075  845.959  2521.18  4185.63 -67.6756  863.785   64.778   40.106   25.631   16.770 0.000000 0.000000 
1 1 1   76    0   11 o   19.726   13.610 -523.0683  729.828  2834.04  4925.53 -598.4284  737.974   66.894   42.305   19.374   13.444 0.000000 0.000000 
1 1 1   76    0   12 o  181.676   20.187 14773.54  2883.81  7041.73  7471.92 16126.86  3126.02   82.795   52.254  189.367   20.990 0.000000 0.000000 
1 1 1   76    0   13 o   37.855   22.368  825.220  1181.32 -2906.4431  5503.05  1005.49  1209.52   48.646   34.372   40.188   23.128 0.000000 0.000000 
1 1 1   76    0   14 f   46.066   24.844  1487.93  1291.12 -4303.0591  5839.14  1785.62  1323.89   45.802   32.879   50.303   25.688 0.000000 0.000000 
1 1 1   76    0   15 o   43.268   24.566  1348.96  1338.84  7137.16  5370.81  965.446  1382.48   72.365   45.080   39.087   23.652 0.000000 0.000000 
1 1 1   76    2    0 o  203.354   16.638 17265.20  2723.12 17477.81  3733.22 17023.44  3980.84  202.058   23.174  198.431   25.282 3.626541 34.29549 
1 1 1   76    2    1 f  156.621   14.879 10222.69  1869.49  9189.22  2501.12 11531.07  2814.19  146.287   21.716  164.208   21.633 -17.92131 30.65258 
1 1 1   76    2    2 o  104.620   14.397  4599.83  1190.58  5115.19  1542.29  3839.82  1872.94  109.475   17.975   93.269   24.438 16.20525 30.33618 
1 1 1   76    2    3 o  134.165   13.395  7490.38  1439.73  7323.85  1882.74  7724.90  2234.28  131.341   18.138  133.915   21.258 -2.573715 27.94498 
1 1 1   76    2    4 o  341.845   19.519 49195.91  5395.34 48629.80  7452.85 49819.28  7820.76  333.915   27.739  337.053   28.855 -3.138275 40.02598 
1 1 1   76    2    5 o  121.364   12.506  6128.28  1214.76  7267.79  1606.86  4608.47  1855.74  131.531   15.333  102.210   22.926 29.32158 27.58075 
1 1 1   76    2    6 o  225.382   20.327 21613.55  3679.82 21613.55  3679.82   0.0000   0.0000  225.382   20.327  ?   ?  0.000000 20.32674 
1 1 1   76    2    7 f  126.082   11.616  6598.09  1175.85  6087.90  1589.62  7214.55  1747.34  119.627   16.831  130.379   16.904 -10.75176 23.85390 
1 1 1   76    2    8 o  123.784   11.335  6360.94  1126.65  6435.86  1525.50  6271.05  1671.06  123.340   15.580  121.100   17.502 2.240189 23.43233 
1 1 1   76    2    9 o  172.681   11.760 12364.03  1639.13 12689.82  2270.09 12009.17  2369.24  173.310   16.324  168.020   17.629 5.290268 24.02628 
1 1 1   76    2   10 o  225.190   18.689 21677.00  3386.29 20072.88  8387.25 21989.41  3701.38  185.329   53.044  225.738   20.415 -40.40921 56.83715 
1 1 1   76    2   11 f   42.755   15.805  621.831  726.249  1361.91  1046.06 -66.8578  1009.08   57.451   19.143   39.427   17.082 18.02393 25.65679 
1 1 1   76    2   12 o   71.838   15.557  2258.42  881.182  1917.30  1286.97  2559.48  1209.04   66.329   21.175   75.573   19.554 -9.244682 28.82252 
1 1 1   76    2   13 o  149.450   12.461  9407.25  1498.32  7938.03  2102.03 10924.77  2136.29  133.476   20.012  158.877   16.816 -25.40106 26.13907 
1 1 1   76    2   14 o   83.732   17.576  3151.81  1156.86  2947.50  1677.55  3337.07  1597.47   78.893   24.027   84.035   22.822 -5.141602 33.13805 
1 1 1   76    2   15 o  132.186   15.021  7635.35  1583.56  7061.82  2171.94  8286.22  2313.76  121.757   22.807  132.523   22.294 -10.76593 31.89357 
1 1 1   76    4    0 o  205.372   10.403 17320.91  1729.17 16567.60  1927.61 20424.75  3912.77  200.492   11.894  218.801   22.337 -18.30896 25.30652 
1 1 1   76    4    1 o  162.632   14.484 11008.80  1892.57 10825.57  2392.49 11315.16  3093.67  159.943   18.780  161.439   24.359 -1.495651 30.75741 
1 1 1   76    4    2 o  138.997   13.492  8037.58  1503.49  8310.87  1853.96  7512.57  2569.65  140.526   16.567  130.622   25.141 9.904449 30.10822 
1 1 1   76    4    3 o  429.766   34.317 83167.92 11875.22 83167.92 11875.22   0.0000   0.0000  429.766   34.317  ?   ?  0.000000 34.31694 
1 1 1   76    4    4 o  447.537   35.824 91265.45 12908.66 91265.45 12908.66   0.0000   0.0000  447.537   35.824  ?   ?  0.000000 35.82361 
1 1 1   76    4    5 o   36.563   13.687  418.502  548.025   59.657  627.909  1565.78  1122.73   32.808   13.820   61.518   19.793 -28.71023 24.14011 
1 1 1   76    4    6 o  287.248   14.982 34346.86  3482.33 33999.90  4454.77 34891.99  5583.85  283.398   19.478  283.813   24.470 -0.4150085 31.27526 
1 1 1   76    4    7 o  147.524   11.984  9028.46  1423.10  8589.50  1800.61  9758.95  2322.80  142.747   15.800  150.925   19.404 -8.178467 25.02309 
1 1 1   76    4    8 o  246.298   13.584 25223.83  2706.16 25238.27  3731.59 25207.81  3930.33  243.650   19.013  242.857   20.113 0.7931213 27.67652 
1 1 1   76    4    9 o  103.455   11.898  4477.01  981.232  4394.88  1307.84  4582.77  1484.17  101.164   16.490  102.690   18.479 -1.525703 24.76703 
1 1 1   76    4   10 o   60.073   15.560  1569.63  765.034  2873.87  1000.73 -264.5531  1186.75   81.507   15.690   41.121   18.151 40.38639 23.99279 
1 1 1   76    4   11 o  228.820   18.544 22502.99  3415.80 26619.24  9057.04 21820.43  3688.16  211.309   52.907  223.939   20.511 -12.62965 56.74364 
1 1 1   76    4   12 o   69.402   16.773  2129.00  934.677  1502.22  1315.53  2767.94  1328.23   60.923   21.433   78.269   20.614 -17.34628 29.73758 
1 1 1   76    4   13 o  173.909   12.742 12750.55  1786.75 13827.61  2524.17 11668.91  2529.54  178.189   17.679  162.343   19.585 15.84590 26.38466 
1 1 1   76    4   14 o  152.689   12.734  9904.14  1564.35  7807.58  2108.30 12472.41  2333.45  130.949   20.501  168.453   17.306 -37.50391 26.82912 
1 1 1   76    4   15 o   74.793   16.614  2539.91  982.753  1939.37  1254.81  3492.72  1580.55   64.775   20.933   84.909   22.547 -20.13462 30.76591 
1 1 1   76    6    0 o  210.836   27.665 19532.24  4621.68   0.0000   0.0000 19532.24  4621.68  ?   ?   210.836   27.665 0.000000 27.66480 
1 1 1   76    6    1 o   93.709   27.101  3898.83  2179.17   0.0000   0.0000  3898.83  2179.17  ?   ?    93.709   27.101 0.000000 27.10147 
1 1 1   76    6    2 o   86.601   8.7564  3096.66  607.262  2501.96  639.047  8632.60  1949.76   77.444   10.428  142.981   17.136 -65.53657 20.05920 
1 1 1   76    6    3 o  256.546   26.996 28780.24  5539.13   0.0000   0.0000 28780.24  5539.13  ?   ?   256.546   26.996 0.000000 26.99633 
1 1 1   76    6    4 o  167.081   13.087 11587.44  1761.30 11581.53  2188.50 11598.30  2967.41  165.996   16.454  163.564   22.977 2.432373 28.26105 
1 1 1   76    6    5 o  132.269   12.318  7270.50  1307.74  6523.15  1587.28  8849.85  2307.45  124.189   16.121  143.428   20.387 -19.23866 25.99118 
1 1 1   76    6    6 o  238.768   14.555 23746.56  2808.25 24430.82  3538.00 22581.36  4616.85  240.476   18.256  227.028   25.486 13.44864 31.34951 
1 1 1   76    6    7 o   55.514   13.987  1327.61  630.203  972.689  757.482  2125.70  1135.87   49.237   16.285   69.807   19.362 -20.57032 25.29974 
1 1 1   76    6    8 o  161.335   12.525 10827.75  1627.88 11048.41  2056.35 10457.33  2664.31  161.831   15.853  154.878   21.789 6.952744 26.94564 
1 1 1   76    6    9 o  227.667   13.362 21603.11  2459.28 20961.17  3337.02 22366.23  3638.38  221.515   18.729  228.187   19.834 -6.672226 27.27942 
1 1 1   76    6   10 o   55.933   15.229  1355.72  710.250  485.983  852.745  3325.68  1283.37   42.797   16.802   86.826   18.752 -44.02862 25.17829 
1 1 1   76    6   11 o  120.200   12.089  6059.64  1163.86  4459.21  1510.96  8394.63  1825.07  100.422   19.231  139.979   16.367 -39.55651 25.25248 
1 1 1   76    6   12 o  144.635   18.359  9135.79  2107.56 14750.06  7361.52  8634.53  2199.63  150.749   50.785  139.691   19.961 11.05840 54.56680 
1 1 1   76    6   13 o  136.983   12.145  7917.77  1336.81  6453.71  1737.85 10039.63  2092.13  120.694   18.308  151.602   17.306 -30.90804 25.19281 
1 1 1   76    6   14 o   91.905   14.000  3672.58  1011.74  2717.39  1265.08  5367.69  1685.28   76.468   20.108  108.274   19.903 -31.80540 28.29204 
1 1 1   76    6   15 o   93.277   14.327  3830.04  1050.40  4578.79  1324.46  2560.73  1724.47  100.803   16.771   72.637   24.579 28.16614 29.75576 
1 1 1   76    8    0 o  217.460   28.491 20973.25  4909.58   0.0000   0.0000 20973.25  4909.58  ?   ?   217.460   28.491 0.000000 28.49061 
1 1 1   76    8    1 o   66.999   25.822  1408.22  1985.24   0.0000   0.0000  1408.22  1985.24  ?   ?    66.999   25.822 0.000000 25.82164 
1 1 1   76    8    2 o  189.897   26.655 15892.13  3996.69   0.0000   0.0000 15892.13  3996.69  ?   ?   189.897   26.655 0.000000 26.65467 
1 1 1   76    8    3 o  183.279   25.318 14725.33  3667.14   0.0000   0.0000 14725.33  3667.14  ?   ?   183.279   25.318 0.000000 25.31802 
1 1 1   76    8    4 o  124.837   25.143  6940.21  2460.47   0.0000   0.0000  6940.21  2460.47  ?   ?   124.837   25.143 0.000000 25.14323 
1 1 1   76    8    5 o  203.556   24.340 18091.38  3943.19   0.0000   0.0000 18091.38  3943.19  ?   ?   203.556   24.340 0.000000 24.34026 
1 1 1   76    8    6 o   26.238   9.9474  201.553  291.532  202.399  298.076  182.906  1398.92   26.440   10.050   48.672   20.572 -22.23198 22.89611 
1 1 1   76    8    7 o  164.621   11.589 11231.03  1539.18  9237.59  1827.33 16099.29  2855.64  148.020   15.431  194.530   18.294 -46.50955 23.93292 
1 1 1   76    8    8 o  123.869   11.294  6380.62  1123.47  6965.90  1347.06  5043.25  2036.26  128.977   13.042  105.674   24.246 23.30301 27.53132 
1 1 1   76    8    9 o  100.536   11.171  4223.17  896.526  3506.20  1051.32  6134.44  1716.51   90.488   14.822  118.976   18.359 -28.48723 23.59568 
1 1 1   76    8   10 o  133.174   11.210  7387.69  1200.87  6163.32  1484.30  9707.69  2043.19  120.106   15.588  150.497   17.019 -30.39063 23.07889 
1 1 1   76    8   11 o   79.843   12.799  2721.62  801.754  2943.75  953.740  2186.44  1480.37   82.493   14.782   70.478   22.733 12.01447 27.11606 
1 1 1   76    8   12 o  112.338   12.009  5324.42  1078.45  4463.75  1293.27  7289.12  1953.99  101.144   16.302  128.184   19.378 -27.03982 25.32325 
1 1 1   76    8   13 o  112.588   12.476  5391.54  1121.33  5418.91  1390.14  5340.55  1897.20  111.402   15.812  106.943   22.558 4.458473 27.54796 
1 1 1   76    8   14 o  104.641   13.309  4729.08  1105.25  4094.11  1316.46  6245.57  2034.47   95.139   17.693  114.686   22.651 -19.54742 28.74219 
1 1 1   76   10    0 o  211.503   29.828 20155.85  4980.23   0.0000   0.0000 20155.85  4980.23  ?   ?   211.503   29.828 0.000000 29.82797 
1 1 1   76   10    1 o  253.997   29.453 28874.39  5961.63   0.0000   0.0000 28874.39  5961.63  ?   ?   253.997   29.453 0.000000 29.45329 
1 1 1   76   10    2 o   66.946   26.292  1315.70  2088.98   0.0000   0.0000  1315.70  2088.98  ?   ?    66.946   26.292 0.000000 26.29244 
1 1 1   76   10    3 o  127.855   27.366  7401.76  2755.20   0.0000   0.0000  7401.76  2755.20  ?   ?   127.855   27.366 0.000000 27.36611 
1 1 1   76   10    4 o  133.498   26.776  8037.13  2801.40   0.0000   0.0000  8037.13  2801.40  ?   ?   133.498   26.776 0.000000 26.77577 
1 1 1   76   10    5 o  197.029   26.243 17240.98  4094.00   0.0000   0.0000 17240.98  4094.00  ?   ?   197.029   26.243 0.000000 26.24324 
1 1 1   76   10    6 o   39.106   17.827 -712.8605  1251.15   0.0000   0.0000 -712.8605  1251.15  ?   ?    39.106   17.827 0.000000 17.82682 
1 1 1   76   10    7 o   49.853   20.578  412.355  1350.80 -2343.6860  6177.44  550.752  1384.30   83.161   38.525   51.653   21.019 31.50832 43.88572 
1 1 1   76   10    8 o  119.785   9.4808  5933.12  914.583  5146.64  1008.35  9581.59  2171.82  111.061   11.341  149.246   18.306 -38.18498 21.53406 
1 1 1   76   10    9 o   73.586   9.7988  2267.56  570.916  2362.64  614.958  1674.22  1536.25   75.005   10.375   64.913   23.127 10.09171 25.34735 
1 1 1   76   10   10 o  146.904   10.601  8969.21  1256.02  8092.84  1490.42 11116.77  2333.14  138.533   13.418  160.221   18.260 -21.68790 22.66031 
1 1 1   76   10   11 o   58.801   11.971  1490.53  552.127  1278.78  585.828  3173.71  1651.67   54.173   13.394   82.855   23.479 -28.68152 27.03035 
1 1 1   76   10   12 o   21.365   9.7841 -255.3241  382.518 -217.4952  402.037 -616.7681  1242.73   22.501   10.198   38.974   17.767 -16.47295 20.48537 
1 1 1   76   10   13 o   25.554   11.301 -124.0693  462.221 -243.3088  490.437  823.648  1382.65   24.969   11.295   52.817   21.178 -27.84807 24.00191 
1 1 1   76   10   14 o   37.042   13.395  509.102  517.426  295.268  553.639  1985.12  1454.57   33.885   13.463   65.614   22.568 -31.72885 26.27873 
1 1 1   76   12    0 o  222.467   31.637 22761.02  5553.72   0.0000   0.0000 22761.02  5553.72  ?   ?   222.467   31.637 0.000000 31.63668 
1 1 1   76   12    1 o   61.534   25.606  629.067  2115.76   0.0000   0.0000  629.067  2115.76  ?   ?    61.534   25.606 0.000000 25.60552 
1 1 1   76   12    2 o  175.943   28.657 14036.94  3953.07   0.0000   0.0000 14036.94  3953.07  ?   ?   175.943   28.657 0.000000 28.65745 
1 1 1   76   12    3 o   70.585   27.570  1579.17  2286.77   0.0000   0.0000  1579.17  2286.77  ?   ?    70.585   27.570 0.000000 27.57013 
1 1 1   76   12    4 o   74.579   26.900  2199.81  2084.70   0.0000   0.0000  2199.81  2084.70  ?   ?    74.579   26.900 0.000000 26.89966 
1 1 1   76   12    5 o  161.904   27.238 11873.64  3453.60   0.0000   0.0000 11873.64  3453.60  ?   ?   161.904   27.238 0.000000 27.23800 
1 1 1   76   12    6 o   89.933   27.207  3682.51  2156.27   0.0000   0.0000  3682.51  2156.27  ?   ?    89.933   27.207 0.000000 27.20707 
1 1 1   76   12    7 o  192.549   24.147 16481.54  3692.14 17088.07  9255.50 16366.76  4026.37  163.247   56.884  190.007   26.846 -26.75975 62.90042 
1 1 1   76   12    8 o   45.738   19.957 -122.6385  1397.68 -7637.3330  7123.53  178.238  1425.39   75.813   36.813   48.609   20.667 27.20341 42.21696 
1 1 1   76   12    9 o   40.026   18.240 -687.2097  1308.38 -6974.0342  6471.63 -419.2960  1335.97   72.266   35.090   42.368   18.946 29.89829 39.87774 
1 1 1   76   12   10 o  134.080   23.489  8207.19  2463.96 17645.93  9510.12  7528.01  2551.07  153.875   57.130  126.992   25.624 26.88325 62.61332 
1 1 1   76   12   11 o   94.715   9.1746  3739.47  696.735  3148.15  738.566  8520.37  2100.08   86.392   10.762  138.588   19.176 -52.19603 21.98993 
1 1 1   76   12   12 o  135.222   9.8303  7636.99  1071.94  6401.69  1218.88 11853.83  2252.00  122.716   12.403  164.346   17.128 -41.62978 21.14689 
1 1 1   76   12   13 o   36.525   10.665  571.204  336.039  584.048  344.833  328.975  1497.48   36.927   10.810   49.344   21.085 -12.41642 23.69496 
1 1 1   76   12   14 o   67.845   24.981  2164.52  1811.24 11049.44 10650.35  1899.90  1838.01  101.374   48.090   65.332   24.927 36.04166 54.16613 
1 1 1   76   14    0 o  151.902   36.783 11413.42  4488.44   0.0000   0.0000 11413.42  4488.44  ?   ?   151.902   36.783 0.000000 36.78279 
1 1 1   76   14    1 o  152.936   34.485 11308.75  4180.10   0.0000   0.0000 11308.75  4180.10  ?   ?   152.936   34.485 0.000000 34.48500 
1 1 1   76   14    2 o   61.983   25.852  660.802  2163.92   0.0000   0.0000  660.802  2163.92  ?   ?    61.983   25.852 0.000000 25.85244 
1 1 1   76   14    3 o  214.318   29.985 21152.98  5075.15   0.0000   0.0000 21152.98  5075.15  ?   ?   214.318   29.985 0.000000 29.98534 
1 1 1   76   14    4 o   37.791   18.112 -2081.8010  1593.14   0.0000   0.0000 -2081.8010  1593.14  ?   ?    37.791   18.112 0.000000 18.11169 
1 1 1   76   14    5 o  160.285   29.212 11938.43  3661.75   0.0000   0.0000 11938.43  3661.75  ?   ?   160.285   29.212 0.000000 29.21200 
1 1 1   76   14    6 o  254.158   29.890 29969.13  6050.54   0.0000   0.0000 29969.13  6050.54  ?   ?   254.158   29.890 0.000000 29.89023 
1 1 1   76   14    7 o   44.531   20.101 -616.1273  1543.67 -6682.9058  6767.12 -283.1087  1585.47   75.044   36.306   47.413   20.952 27.63144 41.91780 
1 1 1   76   14    8 o  102.991   27.986  5056.24  2401.35 15524.95  8005.35  4021.11  2517.28  154.132   52.948   92.186   29.634 61.94572 60.67710 
1 1 1   76   14    9 o   92.180   27.100  4045.80  2163.05 -15162.8398  8173.20  5492.51  2243.03   69.210   34.630  107.797   25.941 -38.58625 43.26863 
1 1 1   76   14   10 o   66.004   25.206  1655.97  1880.42  1785.67  9620.13  1650.81  1917.41   99.696   46.804   66.209   25.413 33.48737 53.25831 
1 1 1   76   14   11 o   53.081   22.303  521.057  1628.54 14872.51  9026.86   38.229  1655.71  132.229   53.726   49.719   21.707 82.50965 57.94547 
1 1 1   76   14   12 o   73.655   28.279  2430.89  2374.69 15306.65 10146.57  1684.76  2442.52  122.048   53.499   68.193   27.854 53.85395 60.31611 
1 1 1   76   14   13 o   59.905   24.449  1232.79  1879.86 -828.4910 10827.26  1296.86  1908.85   85.493   42.284   60.638   24.680 24.85486 48.95898 
1 1 1   76   16    0 o   81.215   32.466  2265.58  3238.42   0.0000   0.0000  2265.58  3238.42  ?   ?    81.215   32.466 0.000000 32.46588 
1 1 1   76   16    1 o   91.487   33.066  3725.46  3152.42   0.0000   0.0000  3725.46  3152.42  ?   ?    91.487   33.066 0.000000 33.06624 
1 1 1   76   16    2 o  117.409   35.244  6869.86  3628.67   0.0000   0.0000  6869.86  3628.67  ?   ?   117.409   35.244 0.000000 35.24378 
1 1 1   76   16    3 o  145.585   32.763 10298.65  3779.33   0.0000   0.0000 10298.65  3779.33  ?   ?   145.585   32.763 0.000000 32.76264 
1 1 1   76   16    4 o   79.152   29.663  2512.08  2575.72   0.0000   0.0000  2512.08  2575.72  ?   ?    79.152   29.663 0.000000 29.66348 
1 1 1   76   16    5 f   55.446   24.406 -176.1789  2130.91   0.0000   0.0000 -176.1789  2130.91  ?   ?    55.446   24.406 0.000000 24.40561 
1 1 1   76   16    6 o   77.118   28.894  2406.56  2443.44   0.0000   0.0000  2406.56  2443.44  ?   ?    77.118   28.894 0.000000 28.89359 
1 1 1   76   16    7 o   41.205   19.177 -1184.5570  1557.89 -17582.9609  8996.12 -677.5812  1581.79   71.088   35.678   44.522   20.198 26.56643 40.99865 
1 1 1   76   16    8 o  120.270   29.370  7095.15  2843.38 17181.01  9495.70  6101.75  2980.12  148.911   56.696  110.005   31.658 38.90540 64.93559 
1 1 1   76   16    9 o   93.770   29.300  4359.51  2476.02  6698.28  9502.63  4189.16  2564.61  109.783   49.684   91.952   29.943 17.83071 58.00931 
1 1 1   76   16   10 o  134.581   30.845  9312.35  3298.53 14666.14 10886.06  8771.12  3461.24  124.740   55.023  128.333   33.024 -3.593437 64.17222 
1 1 1   76   16   11 o   89.049   30.462  4168.60  2648.93 -12501.7598 10858.24  5223.51  2731.45   77.181   38.799   98.655   30.766 -21.47334 49.51651 
1 1 1   76   16   12 o  138.891   30.019 10345.10  3286.62  2388.23 12867.96 10900.39  3399.37   91.284   45.313  142.306   30.346 -51.02197 54.53568 
1 1 1   76   18    0 o  103.419   37.395  5347.49  4032.41   0.0000   0.0000  5347.49  4032.41  ?   ?   103.419   37.395 0.000000 37.39478 
1 1 1   76   18    1 o   75.765   31.439  1605.98  3176.96   0.0000   0.0000  1605.98  3176.96  ?   ?    75.765   31.439 0.000000 31.43931 
1 1 1   76   18    2 o   87.122   32.680  3316.16  3127.57   0.0000   0.0000  3316.16  3127.57  ?   ?    87.122   32.680 0.000000 32.67992 
1 1 1   76   18    3 o  105.708   34.347  5619.51  3375.27   0.0000   0.0000  5619.51  3375.27  ?   ?   105.708   34.347 0.000000 34.34718 
1 1 1   76   18    4 o  213.464   33.878 22583.71  5675.84   0.0000   0.0000 22583.71  5675.84  ?   ?   213.464   33.878 0.000000 33.87838 
1 1 1   76   18    5 o  209.392   33.511 21793.71  5505.32   0.0000   0.0000 21793.71  5505.32  ?   ?   209.392   33.511 0.000000 33.51056 
1 1 1   76   18    6 o  186.415   33.207 17428.52  4842.01   0.0000   0.0000 17428.52  4842.01  ?   ?   186.415   33.207 0.000000 33.20688 
1 1 1   76   18    7 o  134.335   33.130  9328.16  3591.12   0.0000   0.0000  9328.16  3591.12  ?   ?   134.335   33.130 0.000000 33.13047 
1 1 1   76   18    8 o   65.965   26.952  1358.66  2287.75 -1192.3180 10166.67  1494.72  2347.96   92.943   44.852   67.411   27.396 25.53189 52.55746 
1 1 1   76   18    9 o  130.705   29.192  8688.38  3019.86  293.051 11736.97  9283.55  3125.07   95.176   46.446  135.126   29.325 -39.95016 54.92881 
1 1 1   76   18   10 o   45.978   21.759 -1734.1880  2154.67 -2879.2190 10933.21 -1687.9200  2197.77   86.354   42.668   46.700   22.062 39.65447 48.03424 
1 1 1   76   18   11 o   80.600   31.032  3435.36  2865.01  1269.22 12572.27  3554.01  2942.43   88.942   44.257   81.519   31.431 7.422752 54.28212 
1 1 1   76   20    0 o  100.310   38.434  5192.25  4380.88   0.0000   0.0000  5192.25  4380.88  ?   ?   100.310   38.434 0.000000 38.43361 
1 1 1   76   20    1 o  145.026   38.035 11478.84  4534.25   0.0000   0.0000 11478.84  4534.25  ?   ?   145.026   38.035 0.000000 38.03505 
1 1 1   76   20    2 o   99.652   35.907  5112.29  3713.36   0.0000   0.0000  5112.29  3713.36  ?   ?    99.652   35.907 0.000000 35.90722 
1 1 1   76   20    3 o   87.216   33.650  3454.74  3374.32   0.0000   0.0000  3454.74  3374.32  ?   ?    87.216   33.650 0.000000 33.64996 
1 1 1   76   20    4 o   65.442   28.533  484.266  2852.10   0.0000   0.0000  484.266  2852.10  ?   ?    65.442   28.533 0.000000 28.53340 
1 1 1   76   20    5 o  429.572   85.307 193045.09 28705.66   0.0000   0.0000 193045.09 28705.66  ?   ?   429.572   85.307 0.000000 85.30703 
1 1 1   76   20    6 o  131.732   36.534  9688.79  4044.28   0.0000   0.0000  9688.79  4044.28  ?   ?   131.732   36.534 0.000000 36.53354 
1 1 1   76   20    7 o   34.818   17.313 -4217.9409  1910.34   0.0000   0.0000 -4217.9409  1910.34  ?   ?    34.818   17.313 0.000000 17.31310 
1 1 1   76   20    8 o   95.690   33.160  5081.58  3143.07 18956.24 12815.40  4193.59  3242.09  121.568   56.024   88.591   33.265 32.97701 65.15563 
1 1 1   76   20    9 o   55.858   25.084 -56.7689  2368.56 -1963.1689 12677.69   12.181  2411.01   87.767   43.795   56.623   25.376 31.14340 50.61564 
1 1 1   76   20   10 o   87.608   32.020  4468.11  2967.92  1335.94 14030.46  4614.83  3036.64   87.768   44.118   88.588   32.386 -0.8199615 54.72945 
1 1 1   76   22    0 f  109.415   42.224  7514.79  5313.96   0.0000   0.0000  7514.79  5313.96  ?   ?   109.415   42.224 0.000000 42.22441 
1 1 1   76   22    1 o   96.522   38.660  5043.26  4601.65   0.0000   0.0000  5043.26  4601.65  ?   ?    96.522   38.660 0.000000 38.65973 
1 1 1   76   22    2 o   94.423   36.751  4747.51  4052.41   0.0000   0.0000  4747.51  4052.41  ?   ?    94.423   36.751 0.000000 36.75128 
1 1 1   76   22    3 o   31.402   15.968 -7810.7769  2192.54   0.0000   0.0000 -7810.7769  2192.54  ?   ?    31.402   15.968 0.000000 15.96802 
1 1 1   76   22    4 o   69.856   29.422  1504.18  2845.10   0.0000   0.0000  1504.18  2845.10  ?   ?    69.856   29.422 0.000000 29.42212 
1 1 1   76   22    5 o  172.889   40.890 18177.21  5650.19   0.0000   0.0000 18177.21  5650.19  ?   ?   172.889   40.890 0.000000 40.89047 
1 1 1   76   22    6 o   51.814   23.851 -818.4258  2313.53   0.0000   0.0000 -818.4258  2313.53  ?   ?    51.814   23.851 0.000000 23.85068 
1 1 1   76   22    7 o   99.298   36.153  6119.41  3778.46   0.0000   0.0000  6119.41  3778.46  ?   ?    99.298   36.153 0.000000 36.15309 
1 1 1   76   22    8 o   82.713   32.622  3831.98  3228.52  440.448 12606.20  4070.05  3339.91   86.354   43.178   84.280   33.199 2.073875 54.46602 
1 1 1   76   22    9 o   67.166   27.736  1975.05  2455.36 -9809.6055 15743.47  2268.85  2485.78   79.034   40.413   69.360   28.189 9.673805 49.27268 
1 1 1   76   24    0 o   84.006   37.651  3010.66  5308.74   0.0000   0.0000  3010.66  5308.74  ?   ?    84.006   37.651 0.000000 37.65125 
1 1 1   76   24    1 o   91.809   39.149  5001.89  5142.40   0.0000   0.0000  5001.89  5142.40  ?   ?    91.809   39.149 0.000000 39.14859 
1 1 1   76   24    2 o   57.940   26.833 -824.2819  2993.84   0.0000   0.0000 -824.2819  2993.84  ?   ?    57.940   26.833 0.000000 26.83339 
1 1 1   76   24    3 o   90.785   37.313  4947.31  4417.02   0.0000   0.0000  4947.31  4417.02  ?   ?    90.785   37.313 0.000000 37.31251 
1 1 1   76   24    4 o   88.711   36.595  4705.38  4268.35   0.0000   0.0000  4705.38  4268.35  ?   ?    88.711   36.595 0.000000 36.59514 
1 1 1   76   24    5 o   54.763   25.438 -821.3421  2720.77   0.0000   0.0000 -821.3421  2720.77  ?   ?    54.763   25.438 0.000000 25.43836 
1 1 1   76   24    6 o  142.745   44.506 15976.17  5716.37   0.0000   0.0000 15976.17  5716.37  ?   ?   142.745   44.506 0.000000 44.50599 
1 1 1   76   24    7 o   79.905   34.071  3794.11  3894.44   0.0000   0.0000  3794.11  3894.44  ?   ?    79.905   34.071 0.000000 34.07064 
1 1 1   76   26    0 o  100.910   44.402 10652.13  7047.87   0.0000   0.0000 10652.13  7047.87  ?   ?   100.910   44.402 0.000000 44.40217 
1 1 1   76   26    1 o  114.868   47.126 14284.56  7030.23   0.0000   0.0000 14284.56  7030.23  ?   ?   114.868   47.126 0.000000 47.12585 
1 1 1   76   26    2 o  107.953   43.810 11108.80  5994.30   0.0000   0.0000 11108.80  5994.30  ?   ?   107.953   43.810 0.000000 43.81028 
1 1 1   76   26    3 o  107.143   43.146 10825.67  5765.62   0.0000   0.0000 10825.67  5765.62  ?   ?   107.143   43.146 0.000000 43.14635 
1 1 1   76   26    4 f  129.065   47.382 17009.71  6509.39   0.0000   0.0000 17009.71  6509.39  ?   ?   129.065   47.382 0.000000 47.38203 
1 1 1   76   26    5 o   71.143   32.683  2130.59  4314.86   0.0000   0.0000  2130.59  4314.86  ?   ?    71.143   32.683 0.000000 32.68305 
1 1 1   76   28    0 o   75.773   36.806  4901.89  7136.76   0.0000   0.0000  4901.89  7136.76  ?   ?    75.773   36.806 0.000000 36.80560 
1 1 1   76   28    1 o   69.823   33.282  2328.66  5224.71   0.0000   0.0000  2328.66  5224.71  ?   ?    69.823   33.282 0.000000 33.28150 
1 1 1   76   28    2 o  109.954   46.039 17085.79  6900.21   0.0000   0.0000 17085.79  6900.21  ?   ?   109.954   46.039 0.000000 46.03856 
1 1 1   77    1    0 o  197.639   16.590 16338.96  2637.65 15849.26  3660.48 16867.83  3804.07  191.601   24.059  197.668   24.207 -6.066910 34.12983 
1 1 1   77    1    1 o  326.567   20.181 44976.38  5325.04 43249.10  7434.80 46795.79  7630.50  313.664   29.540  326.743   29.065 -13.07932 41.44130 
1 1 1   77    1    2 o  129.551   14.261  7014.92  1475.32  7391.43  2011.30  6576.40  2170.61  131.489   19.423  122.829   22.597 8.660164 29.79742 
1 1 1   77    1    3 o   81.271   14.569  2811.35  926.085  3710.37  1242.35  1687.10  1389.29   93.018   17.078   64.994   22.061 28.02396 27.89939 
1 1 1   77    1    4 o  226.524   15.201 21372.49  2779.65 22716.96  3850.66 19909.63  4016.63  231.118   20.740  214.936   23.393 16.18167 31.26302 
1 1 1   77    1    5 o   52.669   15.585  1171.75  713.328  1142.44  967.035  1206.73  1056.49   54.022   18.406   55.786   19.231 -1.764496 26.61946 
1 1 1   77    1    6 o  337.499   19.054 48109.64  5200.09 46860.12  7279.00 49412.04  7431.44  326.127   27.752  335.120   27.555 -8.992340 39.10818 
1 1 1   77    1    7 o  322.536   18.803 44000.16  4902.83 41934.03  5496.51 52044.61 10845.66  312.719   21.783  326.947   41.812 -14.22787 47.14613 
1 1 1   77    1    8 o  113.349   11.972  5359.47  1085.22  5769.70  1504.71  4914.79  1566.63  116.368   16.378  106.446   18.814 9.922188 24.94419 
1 1 1   77    1    9 o  131.168   16.684  7334.25  1736.67  7506.26  5823.05  7317.46  1819.47  122.506   44.839  130.674   17.595 -8.167969 48.16746 
1 1 1   77    1   10 o  163.715   30.853 12587.46  3950.91 11027.12  9456.94 12917.39  4348.60  137.229   55.259  163.715   33.832 -26.48639 64.79350 
1 1 1   77    1   11 o  227.537   13.574 21695.16  2496.33 23217.46  3537.50 20185.11  3523.24  232.067   18.939  215.297   20.398 16.77054 27.83396 
1 1 1   77    1   12 o   53.298   16.336  1218.33  773.929  481.985  1132.06  1864.45  1060.44   46.864   19.032   64.909   18.944 -18.04433 26.85324 
1 1 1   77    1   13 o   79.346   16.651  2792.84  1038.53  3085.94  1362.90  2387.01  1603.74   82.103   20.505   72.583   23.680 9.520020 31.32429 
1 1 1   77    1   14 o   54.408   18.094  1269.25  934.654  631.966  1269.08  2024.66  1381.69   49.614   20.150   66.831   21.988 -17.21724 29.82466 
1 1 1   77    1   15 o   73.004   19.229  2494.21  1155.71  4454.04  1738.04  940.803  1547.36   95.876   22.681   55.005   22.281 40.87146 31.79405 
1 1 1   77    3    0 o  350.398   21.667 52086.74  6134.31 54404.96  8456.61 49512.29  8911.73  351.449   29.919  331.927   33.525 19.52164 44.93444 
1 1 1   77    3    1 o  245.045   17.278 25138.24  3415.72 28179.08  4596.35 21387.66  5104.64  257.031   22.243  219.791   29.336 37.23975 36.81475 
1 1 1   77    3    2 o   90.334   14.419  3453.96  1022.02  4248.42  1238.88  1761.46  1808.25  100.045   15.773   69.028   25.029 31.01751 29.58446 
1 1 1   77    3    3 o  141.383   13.529  8323.84  1534.19  8803.40  1973.16  7590.72  2439.68  144.370   17.169  131.639   23.696 12.73114 29.26263 
1 1 1   77    3    4 o  327.918   18.833 45267.86  4993.28 43896.85  6802.23 46869.88  7353.02  317.336   26.646  326.836   27.977 -9.499725 38.63587 
1 1 1   77    3    5 o  266.790   22.645 30555.95  4859.22 30555.95  4859.22   0.0000   0.0000  266.790   22.645  ?   ?  0.000000 22.64546 
1 1 1   77    3    6 o  135.723   12.278  7655.73  1338.37  6460.98  1723.80  9469.00  2123.62  122.989   17.777  149.282   17.875 -26.29258 25.21050 
1 1 1   77    3    7 o  168.585   11.759 11770.44  1599.61  9815.05  2142.36 14234.02  2404.69  151.941   17.697  183.894   16.273 -31.95354 24.04113 
1 1 1   77    3    8 o  183.766   11.930 13998.14  1770.41 13174.88  2434.30 14922.54  2579.48  176.301   17.225  187.776   17.106 -11.47472 24.27585 
1 1 1   77    3    9 o   37.666   14.584  392.021  635.598  373.682  787.339  426.331  1076.96   40.238   16.033   45.822   18.579 -5.584110 24.54063 
1 1 1   77    3   10 o   93.077   19.839  3837.73  1453.54  3091.10  5325.28  3897.83  1510.91   96.871   40.493   93.613   20.450 3.257286 45.36337 
1 1 1   77    3   11 o  104.726   12.947  4634.74  1077.47  4072.27  1485.16  5259.76  1565.56   95.687   19.769  109.724   18.211 -14.03646 26.87864 
1 1 1   77    3   12 o  109.166   13.588  5069.72  1178.36  5291.04  1666.34  4848.35  1666.56  109.081   19.531  103.881   20.486 5.199989 28.30443 
1 1 1   77    3   13 o  213.872   13.807 19402.37  2384.80 21083.00  3373.95 17724.39  3371.29  218.726   19.192  198.725   21.221 20.00085 28.61228 
1 1 1   77    3   14 o   38.347   16.335  105.571  893.587  311.408  1191.05 -159.4867  1351.56   45.344   19.064   43.787   19.347 1.556515 27.16159 
1 1 1   77    3   15 o  103.925   15.607  4797.19  1276.27  3857.77  1710.22  5977.89  1917.30   88.503   23.431  111.984   21.871 -23.48139 32.05182 
1 1 1   77    5    0 o  214.748   14.173 19150.52  2457.37 19150.52  2457.37   0.0000   0.0000  214.748   14.173  ?   ?  0.000000 14.17264 
1 1 1   77    5    1 o  213.992   12.696 18933.52  2196.13 18933.52  2196.13   0.0000   0.0000  213.992   12.696  ?   ?  0.000000 12.69600 
1 1 1   77    5    2 o  135.289   15.824  7701.29  1705.38  7701.29  1705.38   0.0000   0.0000  135.289   15.824  ?   ?  0.000000 15.82355 
1 1 1   77    5    3 o  124.219   12.838  6428.06  1276.19  6984.97  1514.02  5061.29  2371.86  129.049   14.712  105.939   27.377 23.11009 31.07928 
1 1 1   77    5    4 o  176.391   13.250 12920.21  1883.83 11869.43  2367.58 14733.41  3110.07  167.567   17.667  185.445   21.026 -17.87817 27.46339 
1 1 1   77    5    5 o   55.944   14.712  1345.85  677.204  581.884  775.677  3794.71  1388.76   43.138   16.257   93.411   18.958 -50.27287 24.97346 
1 1 1   77    5    6 o  250.725   16.080 26337.57  3256.36 28248.71  4330.03 23849.54  4940.51  256.993   20.933  232.385   26.666 24.60768 33.90069 
1 1 1   77    5    7 o  141.289   12.141  8299.52  1379.30  6617.59  1715.47 11375.11  2319.76  124.425   17.461  163.590   17.749 -39.16559 24.89777 
1 1 1   77    5    8 o  176.526   12.051 12934.26  1716.99 12380.15  2275.56 13666.75  2616.32  171.021   16.596  179.017   18.255 -7.995941 24.67117 
1 1 1   77    5    9 o  277.174   14.199 32109.81  3184.83 30769.01  4412.72 33567.63  4601.27  267.218   20.494  279.205   20.438 -11.98654 28.94341 
1 1 1   77    5   10 o   39.307   14.941  473.130  658.770  1103.50  779.187 -1106.7500  1233.55   51.485   16.481   36.119   16.894 15.36605 23.60105 
1 1 1   77    5   11 o   83.071   20.958  3115.07  1413.60  1423.72  6039.78  3213.09  1453.98   91.533   40.648   84.290   21.250 7.242828 45.86771 
1 1 1   77    5   12 o   96.303   14.143  3981.03  1072.94  3413.41  1352.98  4942.88  1761.22   87.035   19.615  104.279   21.515 -17.24352 29.11396 
1 1 1   77    5   13 o   81.573   15.638  2930.84  998.069  4137.49  1246.95  779.603  1664.95   96.948   16.427   55.919   22.937 41.02853 28.21255 
1 1 1   77    5   14 o   68.549   15.920  2110.22  869.135  1690.65  1090.52  2840.79  1438.99   61.297   19.484   77.446   21.904 -16.14839 29.31575 
1 1 1   77    5   15 f   24.856   11.950 -963.1776  705.608 -1983.3740  890.561  757.390  1156.53   24.150   11.977   48.899   19.449 -24.74935 22.84061 
1 1 1   77    7    0 o  192.686   28.732 16572.67  4357.78   0.0000   0.0000 16572.67  4357.78  ?   ?   192.686   28.732 0.000000 28.73157 
1 1 1   77    7    1 o  245.651   27.927 26647.75  5471.25   0.0000   0.0000 26647.75  5471.25  ?   ?   245.651   27.927 0.000000 27.92658 
1 1 1   77    7    2 o  183.097   26.424 14789.69  3814.76   0.0000   0.0000 14789.69  3814.76  ?   ?   183.097   26.424 0.000000 26.42428 
1 1 1   77    7    3 f  194.308   25.912 16598.77  3986.34   0.0000   0.0000 16598.77  3986.34  ?   ?   194.308   25.912 0.000000 25.91240 
1 1 1   77    7    4 o  122.857   24.536  6707.96  2361.88   0.0000   0.0000  6707.96  2361.88  ?   ?   122.857   24.536 0.000000 24.53553 
1 1 1   77    7    5 o  125.759   11.442  6563.86  1155.58  5671.49  1356.68  8922.47  2205.63  115.963   14.742  144.216   19.321 -28.25332 24.30300 
1 1 1   77    7    6 o   82.980   12.225  2900.81  798.988  2482.78  896.640  4512.45  1760.56   75.969   15.068  100.873   22.105 -24.90490 26.75251 
1 1 1   77    7    7 o   74.510   12.414  2353.97  724.625  2680.80  825.299  1254.16  1513.94   79.415   13.267   60.507   22.729 18.90734 26.31767 
1 1 1   77    7    8 f  117.415   11.513  5744.97  1083.53  5498.87  1324.64  6242.56  1883.57  113.944   14.657  119.510   20.126 -5.566177 24.89750 
1 1 1   77    7    9 o  219.377   12.921 20063.87  2291.37 17761.23  2879.09 24042.35  3784.44  204.111   17.542  236.111   19.926 -31.99974 26.54789 
1 1 1   77    7   10 o   81.718   13.104  2847.30  840.102  2454.13  989.042  3865.84  1591.91   74.771   16.711   92.603   21.572 -17.83172 27.28795 
1 1 1   77    7   11 o  288.895   20.740 36587.73  4832.74 54950.48  6744.20 17207.27  6928.57  350.212   23.859  169.854   48.072 180.3583 53.66741 
1 1 1   77    7   12 o  192.184   19.920 16329.63  3063.30 15057.73  9342.09 16482.86  3242.58  139.784   55.377  192.130   21.135 -52.34645 59.27302 
1 1 1   77    7   13 o   66.809   15.377  1983.74  816.864  739.188  961.916  5202.33  1546.91   47.089   18.017  107.784   18.332 -60.69494 25.70360 
1 1 1   77    7   14 o   27.766   12.828 -483.5404  678.057 -1333.0770  784.989  2013.06  1345.70   24.770   12.071   66.089   21.698 -41.31877 24.82971 
1 1 1   77    9    0 o  281.081   32.158 35958.18  7207.20   0.0000   0.0000 35958.18  7207.20  ?   ?   281.081   32.158 0.000000 32.15765 
1 1 1   77    9    1 o  239.342   28.767 25581.07  5478.55   0.0000   0.0000 25581.07  5478.55  ?   ?   239.342   28.767 0.000000 28.76713 
1 1 1   77    9    2 o   93.299   29.008  3898.55  2430.28   0.0000   0.0000  3898.55  2430.28  ?   ?    93.299   29.008 0.000000 29.00777 
1 1 1   77    9    3 o   75.822   27.078  2276.08  2107.28   0.0000   0.0000  2276.08  2107.28  ?   ?    75.822   27.078 0.000000 27.07806 
1 1 1   77    9    4 o  161.047   26.750 11605.40  3375.27   0.0000   0.0000 11605.40  3375.27  ?   ?   161.047   26.750 0.000000 26.75039 
1 1 1   77    9    5 o   92.301   25.850  3846.82  2014.39   0.0000   0.0000  3846.82  2014.39  ?   ?    92.301   25.850 0.000000 25.84966 
1 1 1   77    9    6 o  227.221   26.065 22922.07  4721.84   0.0000   0.0000 22922.07  4721.84  ?   ?   227.221   26.065 0.000000 26.06470 
1 1 1   77    9    7 o   41.895   10.834  750.397  371.285  546.723  381.314  4470.41  1629.62   36.575   11.510  100.568   20.648 -63.99288 23.63942 
1 1 1   77    9    8 o   63.887   10.698  1726.87  535.316  1765.10  578.494  1499.02  1412.11   64.431   11.478   62.116   22.168 2.314980 24.96350 
1 1 1   77    9    9 o  114.592   10.795  5470.69  992.612  4614.48  1133.14  8294.70  2057.91  104.318   13.710  138.206   18.828 -33.88821 23.29096 
1 1 1   77    9   10 o   79.784   11.878  2698.78  746.025  2705.52  811.179  2661.82  1899.88   79.566   13.005   77.399   25.799 2.166969 28.89211 
1 1 1   77    9   11 o   85.044   11.663  3063.51  784.135  3199.69  891.306  2597.22  1649.35   86.498   13.101   75.624   23.954 10.87424 27.30209 
1 1 1   77    9   12 o   33.478   13.064  305.642  513.025  162.105  556.387  1120.31  1325.52   32.142   13.230   55.852   21.202 -23.70999 24.99153 
1 1 1   77    9   13 f  151.392   21.781 10585.62  2600.31  6986.29 11032.63 10797.33  2675.69  105.199   49.615  152.525   22.261 -47.32557 54.38050 
1 1 1   77    9   14 o  112.808   12.298  5464.55  1108.18  4657.59  1317.11  7420.35  2050.48  101.896   16.482  125.938   20.777 -24.04210 26.52045 
1 1 1   77   11    0 o   34.566   16.967 -3153.8210  1636.25   0.0000   0.0000 -3153.8210  1636.25  ?   ?    34.566   16.967 0.000000 16.96682 
1 1 1   77   11    1 o  259.906   30.798 30770.70  6373.02   0.0000   0.0000 30770.70  6373.02  ?   ?   259.906   30.798 0.000000 30.79792 
1 1 1   77   11    2 o   82.852   28.215  2933.78  2272.55   0.0000   0.0000  2933.78  2272.55  ?   ?    82.852   28.215 0.000000 28.21533 
1 1 1   77   11    3 o  242.288   29.529 26589.35  5689.06   0.0000   0.0000 26589.35  5689.06  ?   ?   242.288   29.529 0.000000 29.52892 
1 1 1   77   11    4 o  112.850   28.510  5891.30  2613.35   0.0000   0.0000  5891.30  2613.35  ?   ?   112.850   28.510 0.000000 28.51043 
1 1 1   77   11    5 o   84.938   27.090  3209.55  2106.70   0.0000   0.0000  3209.55  2106.70  ?   ?    84.938   27.090 0.000000 27.08954 
1 1 1   77   11    6 f   29.855   14.561 -2029.1379  1149.15   0.0000   0.0000 -2029.1379  1149.15  ?   ?    29.855   14.561 0.000000 14.56143 
1 1 1   77   11    7 o  131.861   24.305  7833.35  2506.43 16465.01  7312.44  6684.25  2668.05  169.199   49.851  119.798   27.942 49.40192 57.14772 
1 1 1   77   11    8 o  182.567   23.267 14819.08  3370.72 10505.04  8629.43 15595.80  3661.60  133.022   53.057  186.269   24.828 -53.24706 58.57865 
1 1 1   77   11    9 f  103.183   8.8848  4410.18  737.117  3889.60  800.565  7309.35  1889.24   96.493   10.381  129.467   18.498 -32.97485 21.21158 
1 1 1   77   11   10 o   43.885   9.9562  826.973  346.625  829.850  356.291  776.098  1498.22   43.936   10.186   54.573   21.988 -10.63673 24.23258 
1 1 1   77   11   11 o   42.447   10.882  777.872  376.807  634.553  386.870  3425.82  1662.91   38.690   11.484   85.541   23.307 -46.85082 25.98273 
1 1 1   77   11   12 o  121.046   10.054  6135.10  979.233  5218.48  1109.88  9355.34  2080.30  110.612   12.582  145.264   18.024 -34.65220 21.98123 
1 1 1   77   11   13 o   31.475   11.872  318.894  413.921  151.509  431.473  2251.64  1466.17   28.734   11.718   69.269   22.644 -40.53450 25.49643 
1 1 1   77   13    0 o  158.655   34.045 12100.16  4254.53   0.0000   0.0000 12100.16  4254.53  ?   ?   158.655   34.045 0.000000 34.04540 
1 1 1   77   13    1 o  154.053   32.059 11220.24  3879.61   0.0000   0.0000 11220.24  3879.61  ?   ?   154.053   32.059 0.000000 32.05887 
1 1 1   77   13    2 o  173.655   30.164 13966.60  4098.83   0.0000   0.0000 13966.60  4098.83  ?   ?   173.655   30.164 0.000000 30.16373 
1 1 1   77   13    3 o  130.966   30.584  8085.40  3193.33   0.0000   0.0000  8085.40  3193.33  ?   ?   130.966   30.584 0.000000 30.58373 
1 1 1   77   13    4 o   87.120   29.133  3383.06  2422.31   0.0000   0.0000  3383.06  2422.31  ?   ?    87.120   29.133 0.000000 29.13277 
1 1 1   77   13    5 o   76.117   27.628  2338.97  2204.22   0.0000   0.0000  2338.97  2204.22  ?   ?    76.117   27.628 0.000000 27.62835 
1 1 1   77   13    6 o  115.635   28.918  6313.45  2708.08   0.0000   0.0000  6313.45  2708.08  ?   ?   115.635   28.918 0.000000 28.91777 
1 1 1   77   13    7 o  151.072   25.321 10391.54  2996.16 18406.95  8526.69  9262.45  3200.23  169.604   54.542  140.100   29.084 29.50388 61.81226 
1 1 1   77   13    8 o  435.242   31.358 90000.85 11007.73 106365.60 19789.52 82669.04 13246.03  396.197   63.672  395.723   41.860 0.4742737 76.19986 
1 1 1   77   13    9 o  162.749   25.308 12213.47  3235.73  5048.76  9481.94 13157.79  3442.37  110.187   49.770  168.480   26.000 -58.29227 56.15235 
1 1 1   77   13   10 o  125.317   25.107  7388.79  2465.71  4796.02 10522.99  7539.42  2536.31  107.830   50.068  126.275   25.613 -18.44538 56.23928 
1 1 1   77   13   11 o  177.402   23.478 14611.24  3298.78 27066.04 11307.56 13452.63  3448.81  165.579   62.133  167.704   26.183 -2.124908 67.42435 
1 1 1   77   13   12 o  135.572   25.752  8997.84  2731.13 11373.87 11178.85  8847.01  2816.48  110.934   51.541  133.327   26.944 -22.39255 58.15896 
1 1 1   77   13   13 o   61.688   24.539  1465.37  1841.42  3502.59 10853.86  1404.99  1868.50   91.366   44.604   61.340   24.611 30.02658 50.94339 
1 1 1   77   15    0 o  291.900   37.378 42119.49  8655.63   0.0000   0.0000 42119.49  8655.63  ?   ?   291.900   37.378 0.000000 37.37809 
1 1 1   77   15    1 o  251.977   34.192 30513.78  6814.84   0.0000   0.0000 30513.78  6814.84  ?   ?   251.977   34.192 0.000000 34.19163 
1 1 1   77   15    2 o   50.978   23.706 -1674.7300  2372.92   0.0000   0.0000 -1674.7300  2372.92  ?   ?    50.978   23.706 0.000000 23.70559 
1 1 1   77   15    3 o  154.070   32.135 11404.44  3889.93   0.0000   0.0000 11404.44  3889.93  ?   ?   154.070   32.135 0.000000 32.13479 
1 1 1   77   15    4 o  139.249   31.876  9371.67  3526.22   0.0000   0.0000  9371.67  3526.22  ?   ?   139.249   31.876 0.000000 31.87553 
1 1 1   77   15    5 o   77.204   28.992  2363.14  2462.89   0.0000   0.0000  2363.14  2462.89  ?   ?    77.204   28.992 0.000000 28.99220 
1 1 1   77   15    6 o  111.216   30.955  6035.29  2898.06   0.0000   0.0000  6035.29  2898.06  ?   ?   111.216   30.955 0.000000 30.95543 
1 1 1   77   15    7 o   37.386   17.948 -2057.1750  1579.04 -780.1940  8989.48 -2097.8301  1603.98   96.167   45.178   37.626   18.070 58.54107 48.65800 
1 1 1   77   15    8 o  116.624   28.827  6623.32  2714.19 -3934.5691  9354.25  7593.91  2836.21   89.978   43.320  125.312   28.516 -35.33324 51.86345 
1 1 1   77   15    9 o  110.424   29.102  6055.56  2646.05 10452.51  9669.40  5699.64  2751.06  120.870   52.623  106.336   30.360 14.53398 60.75311 
1 1 1   77   15   10 o   77.944   28.945  2767.03  2441.41 -2519.8911  9802.66  3116.66  2520.84   89.208   43.286   81.185   29.534 8.022598 52.40184 
1 1 1   77   15   11 o   88.521   29.112  4040.79  2422.02 16704.40 10962.85  3390.96  2483.38  123.868   54.897   82.332   29.396 41.53547 62.27238 
1 1 1   77   15   12 o   72.520   28.919  2360.19  2563.31  6384.09 13250.84  2203.75  2612.67   96.495   47.545   71.567   28.965 24.92828 55.67294 
1 1 1   77   17    0 o   91.189   35.102  3617.95  3665.12   0.0000   0.0000  3617.95  3665.12  ?   ?    91.189   35.102 0.000000 35.10166 
1 1 1   77   17    1 o   61.959   27.600 -324.9958  2806.26   0.0000   0.0000 -324.9958  2806.26  ?   ?    61.959   27.600 0.000000 27.60005 
1 1 1   77   17    2 o   92.366   33.131  3954.99  3157.88   0.0000   0.0000  3954.99  3157.88  ?   ?    92.366   33.131 0.000000 33.13063 
1 1 1   77   17    3 o  155.617   34.531 12149.51  4249.24   0.0000   0.0000 12149.51  4249.24  ?   ?   155.617   34.531 0.000000 34.53138 
1 1 1   77   17    4 o  130.338   34.292  8628.47  3678.14   0.0000   0.0000  8628.47  3678.14  ?   ?   130.338   34.292 0.000000 34.29226 
1 1 1   77   17    5 o   75.133   28.252  2286.18  2340.22   0.0000   0.0000  2286.18  2340.22  ?   ?    75.133   28.252 0.000000 28.25187 
1 1 1   77   17    6 o  118.204   33.258  7150.18  3326.39   0.0000   0.0000  7150.18  3326.39  ?   ?   118.204   33.258 0.000000 33.25788 
1 1 1   77   17    7 o  113.041   32.376  6560.28  3123.60   0.0000   0.0000  6560.28  3123.60  ?   ?   113.041   32.376 0.000000 32.37610 
1 1 1   77   17    8 o  151.010   30.007 11358.65  3549.67 14271.32 11509.99 11052.51  3731.55  126.427   56.130  146.807   32.191 -20.38014 64.70616 
1 1 1   77   17    9 o   76.821   28.342  2716.68  2333.31 -12277.6104 10644.79  3473.49  2391.47   78.793   39.439   83.905   28.933 -5.111923 48.91395 
1 1 1   77   17   10 o  103.085   32.958  5932.87  3116.86  6118.98 11870.14  5919.08  3230.21  100.382   48.448  102.408   33.617 -2.025833 58.96861 
1 1 1   77   17   11 o  148.941   32.450 12325.43  3813.32 28504.13 13617.46 10948.78  3972.25  128.414   58.644  135.548   35.624 -7.134445 68.61673 
1 1 1   77   19    0 o   73.979   32.286  861.213  3659.22   0.0000   0.0000  861.213  3659.22  ?   ?    73.979   32.286 0.000000 32.28569 
1 1 1   77   19    1 o  208.066   39.712 23323.65  6464.39   0.0000   0.0000 23323.65  6464.39  ?   ?   208.066   39.712 0.000000 39.71245 
1 1 1   77   19    2 o  102.000   35.846  5365.84  3679.04   0.0000   0.0000  5365.84  3679.04  ?   ?   102.000   35.846 0.000000 35.84569 
1 1 1   77   19    3 o  165.639   37.140 14560.83  4871.76   0.0000   0.0000 14560.83  4871.76  ?   ?   165.639   37.140 0.000000 37.13997 
1 1 1   77   19    4 o   72.482   30.172  1528.60  2939.23   0.0000   0.0000  1528.60  2939.23  ?   ?    72.482   30.172 0.000000 30.17205 
1 1 1   77   19    5 o   91.169   33.462  4084.30  3246.32   0.0000   0.0000  4084.30  3246.32  ?   ?    91.169   33.462 0.000000 33.46231 
1 1 1   77   19    6 f   98.446   34.077  5102.46  3319.01   0.0000   0.0000  5102.46  3319.01  ?   ?    98.446   34.077 0.000000 34.07739 
1 1 1   77   19    7 o   87.866   32.284  3880.78  3022.92   0.0000   0.0000  3880.78  3022.92  ?   ?    87.866   32.284 0.000000 32.28432 
1 1 1   77   19    8 o  128.153   34.100  9122.60  3610.52 20679.77 14740.20  8384.94  3723.97  122.413   57.617  120.885   35.563 1.527985 67.70845 
1 1 1   77   19    9 o   71.671   28.832  2174.67  2571.68 -7446.3569 12598.34  2592.99  2626.99   83.881   42.116   74.976   29.472 8.905388 51.40358 
1 1 1   77   19   10 o   57.198   25.584  173.667  2438.04 -7794.0698 13076.52  460.611  2481.55   81.122   41.001   59.117   26.163 22.00457 48.63770 
1 1 1   77   21    0 o   75.010   33.618  667.539  4231.84   0.0000   0.0000  667.539  4231.84  ?   ?    75.010   33.618 0.000000 33.61787 
1 1 1   77   21    1 o   94.893   37.886  4638.02  4404.08   0.0000   0.0000  4638.02  4404.08  ?   ?    94.893   37.886 0.000000 37.88617 
1 1 1   77   21    2 o  109.528   38.607  6946.86  4270.19   0.0000   0.0000  6946.86  4270.19  ?   ?   109.528   38.607 0.000000 38.60657 
1 1 1   77   21    3 o  182.120   38.264 18528.25  5478.48   0.0000   0.0000 18528.25  5478.48  ?   ?   182.120   38.264 0.000000 38.26415 
1 1 1   77   21    4 o  159.852   40.121 15024.88  5199.34   0.0000   0.0000 15024.88  5199.34  ?   ?   159.852   40.121 0.000000 40.12064 
1 1 1   77   21    5 o   84.943   33.829  3478.98  3503.16   0.0000   0.0000  3478.98  3503.16  ?   ?    84.943   33.829 0.000000 33.82860 
1 1 1   77   21    6 o  133.413   36.427 10362.20  4056.92   0.0000   0.0000 10362.20  4056.92  ?   ?   133.413   36.427 0.000000 36.42679 
1 1 1   77   21    7 o  172.772   38.967 18065.61  5336.23   0.0000   0.0000 18065.61  5336.23  ?   ?   172.772   38.967 0.000000 38.96703 
1 1 1   77   21    8 o   68.990   28.231  1970.04  2514.87  4015.65 14471.79  1906.34  2553.72   92.429   46.223   68.713   28.321 23.71606 54.20936 
1 1 1   77   21    9 o   66.622   28.948  1466.35  2914.68 21651.29 15294.33  705.648  2969.09  103.440   50.988   63.012   28.206 40.42845 58.26983 
1 1 1   77   23    0 f   64.180   30.595 -2293.9500  4418.35   0.0000   0.0000 -2293.9500  4418.35  ?   ?    64.180   30.595 0.000000 30.59536 
1 1 1   77   23    1 o   66.722   31.167 -927.4135  4176.55   0.0000   0.0000 -927.4135  4176.55  ?   ?    66.722   31.167 0.000000 31.16743 
1 1 1   77   23    2 o   80.761   34.749  2729.33  4117.79   0.0000   0.0000  2729.33  4117.79  ?   ?    80.761   34.749 0.000000 34.74911 
1 1 1   77   23    3 o  103.675   39.399  7010.71  4580.30   0.0000   0.0000  7010.71  4580.30  ?   ?   103.675   39.399 0.000000 39.39920 
1 1 1   77   23    4 o  128.834   42.439 11655.80  5146.43   0.0000   0.0000 11655.80  5146.43  ?   ?   128.834   42.439 0.000000 42.43905 
1 1 1   77   23    5 o  148.616   43.590 15668.78  5602.13   0.0000   0.0000 15668.78  5602.13  ?   ?   148.616   43.590 0.000000 43.59002 
1 1 1   77   23    6 o   81.587   32.869  3669.57  3347.71   0.0000   0.0000  3669.57  3347.71  ?   ?    81.587   32.869 0.000000 32.86937 
1 1 1   77   23    7 o   45.606   22.260 -3309.4241  2699.57   0.0000   0.0000 -3309.4241  2699.57  ?   ?    45.606   22.260 0.000000 22.25993 
1 1 1   77   23    8 o  123.445   40.706 11855.54  4734.22   0.0000   0.0000 11855.54  4734.22  ?   ?   123.445   40.706 0.000000 40.70592 
1 1 1   77   25    0 o   87.996   39.853  5334.35  6126.65   0.0000   0.0000  5334.35  6126.65  ?   ?    87.996   39.853 0.000000 39.85269 
1 1 1   77   25    1 o   65.484   31.356 -1406.5410  4751.68   0.0000   0.0000 -1406.5410  4751.68  ?   ?    65.484   31.356 0.000000 31.35643 
1 1 1   77   25    2 f   65.903   30.956 -270.2119  4217.45   0.0000   0.0000 -270.2119  4217.45  ?   ?    65.903   30.956 0.000000 30.95555 
1 1 1   77   25    3 o   69.220   31.973  866.204  4209.46   0.0000   0.0000  866.204  4209.46  ?   ?    69.220   31.973 0.000000 31.97294 
1 1 1   77   25    4 o   57.398   26.849 -663.7907  3117.21   0.0000   0.0000 -663.7907  3117.21  ?   ?    57.398   26.849 0.000000 26.84937 
1 1 1   77   25    5 o   97.379   39.820  8030.15  4998.92   0.0000   0.0000  8030.15  4998.92  ?   ?    97.379   39.820 0.000000 39.82012 
1 1 1   77   25    6 o   72.112   32.715  2451.96  4149.33   0.0000   0.0000  2451.96  4149.33  ?   ?    72.112   32.715 0.000000 32.71459 
1 1 1   77   27    0 o   83.761   39.686  7528.15  7210.09   0.0000   0.0000  7528.15  7210.09  ?   ?    83.761   39.686 0.000000 39.68605 
1 1 1   77   27    1 o   48.279   24.055 -5360.5098  3764.52   0.0000   0.0000 -5360.5098  3764.52  ?   ?    48.279   24.055 0.000000 24.05469 
1 1 1   77   27    2 o   69.307   32.206  2051.76  4367.28   0.0000   0.0000  2051.76  4367.28  ?   ?    69.307   32.206 0.000000 32.20557 
1 1 1   77   27    3 o   84.507   37.100  6437.89  4896.12   0.0000   0.0000  6437.89  4896.12  ?   ?    84.507   37.100 0.000000 37.10040 
1 1 1   78    0    0 o  163.582   25.376 11968.98  3128.96   0.0000   0.0000 11968.98  3128.96  163.582   25.376  163.582   25.376 0.000000 0.000000 
1 1 1   78    0    1 o   33.416   20.779  332.245  1135.91   0.0000   0.0000  332.245  1135.91   33.416   20.779   33.416   20.779 0.000000 0.000000 
1 1 1   78    0    2 f  380.254   32.655 63881.30  9911.15   0.0000   0.0000 63881.30  9911.15  380.254   32.655  380.254   32.655 0.000000 0.000000 
1 1 1   78    0    3 o  174.708   21.587 13313.18  2936.72   0.0000   0.0000 13313.18  2936.72  174.708   21.587  174.708   21.587 0.000000 0.000000 
1 1 1   78    0    4 o  171.752   20.606 12832.60  2764.22   0.0000   0.0000 12832.60  2764.22  171.752   20.606  171.752   20.606 0.000000 0.000000 
1 1 1   78    0    5 o   90.854   24.286  4110.58  1548.09   0.0000   0.0000  4110.58  1548.09   90.854   24.286   90.854   24.286 0.000000 0.000000 
1 1 1   78    0    6 o  332.637   28.184 48935.57  7486.40   0.0000   0.0000 48935.57  7486.40  332.637   28.184  332.637   28.184 0.000000 0.000000 
1 1 1   78    0    7 o  385.204   24.494 64436.51  7590.09 74021.45 13885.34 60352.12  9064.12  383.944   46.329  365.516   31.057 0.000000 0.000000 
1 1 1   78    0    8 o  127.356   60.353 13032.25  7087.62 13032.25  7087.62   0.0000   0.0000  127.356   60.353  127.356   60.353 0.000000 0.000000 
1 1 1   78    0    9 o   26.334   17.360 -136.0874  951.834  1546.21  5220.90 -193.9257  968.058   63.851   41.586   26.100   17.305 0.000000 0.000000 
1 1 1   78    0   10 o  165.262   17.879 11946.35  2328.06 16771.52  6989.07 11344.16  2469.06  149.193   59.564  159.579   19.890 0.000000 0.000000 
1 1 1   78    0   11 o  257.281   21.115 29341.06  4342.60 31250.33  9822.56 28877.22  4841.45  202.805   67.097  251.970   24.175 0.000000 0.000000 
1 1 1   78    0   12 o   21.349   15.119 -1258.0410  1084.79 -10586.2803  5442.11 -872.0643  1107.00   37.730   27.642   23.463   16.324 0.000000 0.000000 
1 1 1   78    0   13 o   27.517   18.682 -453.6003  1257.55 -5478.0112  6172.40 -236.0099  1284.49   45.877   33.063   29.180   19.532 0.000000 0.000000 
1 1 1   78    0   14 o  183.556   21.063 15933.54  3032.16 24572.31  9264.73 14897.22  3208.88  122.026   66.315  173.937   24.028 0.000000 0.000000 
1 1 1   78    0   15 f  160.428   22.380 12831.86  2752.94  9270.87  8468.13 13252.68  2911.06   65.182   45.304  161.501   23.692 0.000000 0.000000 
1 1 1   78    2    0 o  264.446   18.766 29461.83  4003.36 33046.91  5535.72 25531.02  5796.50  276.420   24.933  239.088   30.558 37.33226 39.43857 
1 1 1   78    2    1 o  171.261   15.592 12272.51  2144.42 14142.15  2868.08  9902.28  3229.29  182.410   19.676  148.945   27.722 33.46466 33.99497 
1 1 1   78    2    2 o  169.420   14.752 11977.53  2009.09 11638.74  2645.76 12438.98  3087.73  165.086   20.157  169.519   23.029 -4.433350 30.60416 
1 1 1   78    2    3 f  145.156   13.671  8781.47  1592.30  8009.94  2118.99  9782.23  2413.32  136.694   19.657  151.106   20.173 -14.41241 28.16667 
1 1 1   78    2    4 o  125.184   13.119  6538.23  1313.63  5947.64  1706.51  7397.11  2057.96  117.785   18.449  131.088   19.965 -13.30254 27.18435 
1 1 1   78    2    5 o  200.869   14.179 16800.89  2297.75 17785.61  3104.77 15608.45  3416.59  204.768   18.886  189.980   22.592 14.78835 29.44622 
1 1 1   78    2    6 o  252.331   22.097 27399.83  4481.66 27399.83  4481.66   0.0000   0.0000  252.331   22.097  ?   ?  0.000000 22.09677 
1 1 1   78    2    7 o   67.061   14.876  1942.45  788.817  1563.71  996.495  2578.05  1290.92   60.628   18.530   76.511   20.405 -15.88331 27.56269 
1 1 1   78    2    8 o  176.174   12.359 12898.20  1756.70 12718.47  2413.80 13100.60  2561.47  172.998   17.421  175.216   18.273 -2.218536 25.24674 
1 1 1   78    2    9 f   69.695   15.128  2106.33  831.529  1796.67  1120.85  2485.38  1240.08   64.500   19.639   74.922   20.008 -10.42197 28.03540 
1 1 1   78    2   10 f   20.639   10.156 -1240.6790  598.267 -1405.1710  808.107 -1041.1770  889.958   25.234   12.286   29.265   13.888 -4.031534 18.54273 
1 1 1   78    2   11 o   92.575   14.274  3671.68  1038.48  3547.59  1433.97  3808.54  1505.94   88.885   20.313   92.031   20.659 -3.145844 28.97255 
1 1 1   78    2   12 o  161.703   12.818 11011.44  1669.17  9812.19  2335.13 12264.38  2386.82  148.965   19.796  168.033   17.763 -19.06793 26.59727 
1 1 1   78    2   13 o  104.170   14.929  4705.38  1226.65  5818.33  1695.34  3482.60  1777.04  113.990   18.985   85.559   24.391 28.43127 30.90867 
1 1 1   78    2   14 o   54.675   18.754  1271.17  1004.08  1784.16  1397.87  724.389  1443.17   63.552   22.109   52.375   21.404 11.17603 30.77217 
1 1 1   78    4    0 o  232.801   11.504 22286.34  2174.64 21416.86  2451.06 25502.13  4713.74  227.350   13.336  242.790   24.235 -15.44019 27.66173 
1 1 1   78    4    1 o   70.469   16.466  2148.78  925.197  2154.56  1078.46  2132.69  1800.56   70.414   18.589   72.796   25.105 -2.381943 31.23834 
1 1 1   78    4    2 o   57.188   17.250  1380.98  867.716  1380.98  867.716   0.0000   0.0000   57.188   17.250  ?   ?  0.000000 17.24978 
1 1 1   78    4    3 o  113.228   15.915  5431.82  1422.78  5431.82  1422.78   0.0000   0.0000  113.228   15.915  ?   ?  0.000000 15.91478 
1 1 1   78    4    4 o   25.069   11.120 -154.2711  450.813 -154.2711  450.813   0.0000   0.0000   25.069   11.120  ?   ?  0.000000 11.12021 
1 1 1   78    4    5 o   48.119   14.725  965.968  629.037  779.603  727.243  1519.61  1253.46   45.606   15.942   61.617   20.955 -16.01156 26.32988 
1 1 1   78    4    6 o  108.337   12.582  4910.92  1086.14  4602.12  1361.18  5452.14  1802.04  103.662   16.742  111.703   20.628 -8.040665 26.56749 
1 1 1   78    4    7 o  209.160   13.505 18215.58  2281.40 19038.82  2954.75 17000.31  3590.00  212.187   17.301  197.567   22.797 14.61983 28.61877 
1 1 1   78    4    8 o  179.827   12.287 13439.22  1783.31 12012.48  2412.31 15158.53  2648.12  167.754   17.991  188.889   17.464 -21.13469 25.07308 
1 1 1   78    4    9 o  191.993   12.685 15359.84  1966.38 12689.17  2662.20 18566.21  2917.00  171.432   19.471  208.914   17.353 -37.48219 26.08148 
1 1 1   78    4   10 o   63.352   15.981  1756.49  822.008  2421.73  1039.01  643.437  1343.97   74.115   17.539   51.763   20.836 22.35132 27.23501 
1 1 1   78    4   11 o   36.151   16.649 -757.7032  1129.08 -138.5714  6265.10 -778.4865  1147.87   87.117   39.782   36.380   16.766 50.73729 43.17085 
1 1 1   78    4   12 o   46.072   17.475  700.639  899.950  953.565  1195.75  370.196  1366.76   52.864   20.121   48.967   20.495 3.896671 28.72114 
1 1 1   78    4   13 o   40.297   16.615  291.719  879.281 -387.0244  1178.71  1143.29  1320.28   39.369   17.687   55.908   21.175 -16.53836 27.59004 
1 1 1   78    4   14 o   83.238   16.012  3096.13  1042.87  4508.86  1408.82  1383.63  1551.11   99.767   18.056   59.767   22.876 40.00045 29.14358 
1 1 1   78    6    0 f  116.748   28.419  6206.34  2668.66   0.0000   0.0000  6206.34  2668.66  ?   ?   116.748   28.419 0.000000 28.41910 
1 1 1   78    6    1 o   90.305   27.710  3617.32  2225.94   0.0000   0.0000  3617.32  2225.94  ?   ?    90.305   27.710 0.000000 27.70966 
1 1 1   78    6    2 f  286.609   29.547 36611.30  6777.55   0.0000   0.0000 36611.30  6777.55  ?   ?   286.609   29.547 0.000000 29.54728 
1 1 1   78    6    3 o  237.867   26.804 24929.89  5086.68   0.0000   0.0000 24929.89  5086.68  ?   ?   237.867   26.804 0.000000 26.80398 
1 1 1   78    6    4 o  174.146   13.195 12610.22  1851.88 11224.93  2277.34 15314.39  3181.82  162.773   17.506  188.739   21.125 -25.96643 27.43557 
1 1 1   78    6    5 o  334.224   18.563 47224.54  5017.81 42310.47  6711.92 53450.97  7555.20  309.594   26.970  348.211   26.931 -38.61691 38.11370 
1 1 1   78    6    6 o   76.650   13.783  2507.74  826.271  3505.28  955.853 -441.3673  1643.51   91.081   13.318   47.682   21.188 43.39895 25.02625 
1 1 1   78    6    7 o   51.104   15.105  1108.93  670.377  351.700  766.198  3581.06  1384.41   39.574   15.802   90.246   19.465 -50.67148 25.07149 
1 1 1   78    6    8 f   68.028   15.082  2007.06  811.203  1712.97  944.907  2831.30  1581.87   62.762   17.749   79.670   23.105 -16.90760 29.13522 
1 1 1   78    6    9 o  237.793   14.807 23766.13  2844.83 20573.93  4013.68 26988.81  4032.80  215.873   23.266  250.017   20.034 -34.14377 30.70280 
1 1 1   78    6   10 o   46.242   15.860  839.594  718.107  805.362  848.851  925.762  1346.73   47.190   17.143   54.665   21.212 -7.475262 27.27271 
1 1 1   78    6   11 o   73.089   14.785  2327.33  847.316  2261.13  1037.82  2459.68  1467.40   71.249   17.948   73.864   22.466 -2.614891 28.75530 
1 1 1   78    6   12 o   97.966   21.795  4417.49  1688.93  2737.79  7189.83  4515.59  1737.55   96.267   43.424   98.878   22.187 -2.610977 48.76392 
1 1 1   78    6   13 o   42.041   15.964  584.394  751.564  437.112  860.528  1057.99  1543.10   41.687   16.710   56.923   22.520 -15.23592 28.04289 
1 1 1   78    6   14 o   49.817   16.748  1055.28  800.601  1177.20  957.000  770.984  1461.34   52.773   18.297   52.717   21.540 0.5583191E-01 28.26223 
1 1 1   78    8    0 o  140.979   31.288  9213.48  3488.07   0.0000   0.0000  9213.48  3488.07  ?   ?   140.979   31.288 0.000000 31.28847 
1 1 1   78    8    1 o  292.147   31.037 38581.40  7249.55   0.0000   0.0000 38581.40  7249.55  ?   ?   292.147   31.037 0.000000 31.03658 
1 1 1   78    8    2 o  356.465   34.692 58727.89  9913.82   0.0000   0.0000 58727.89  9913.82  ?   ?   356.465   34.692 0.000000 34.69153 
1 1 1   78    8    3 o  327.621   32.210 48917.57  8457.75   0.0000   0.0000 48917.57  8457.75  ?   ?   327.621   32.210 0.000000 32.21037 
1 1 1   78    8    4 o  135.350   25.753  8211.50  2726.79   0.0000   0.0000  8211.50  2726.79  ?   ?   135.350   25.753 0.000000 25.75256 
1 1 1   78    8    5 o   59.084   22.536  1128.61  1501.96   0.0000   0.0000  1128.61  1501.96  ?   ?    59.084   22.536 0.000000 22.53578 
1 1 1   78    8    6 o   96.338   10.932  3870.61  839.989  3761.49  921.778  4404.96  2039.75   94.626   12.287   98.479   25.357 -3.853226 28.17700 
1 1 1   78    8    7 o  227.528   12.968 21547.38  2385.88 19012.91  2921.96 26617.71  4132.85  211.735   17.143  248.443   20.675 -36.70784 26.85776 
1 1 1   78    8    8 o  202.154   12.572 17022.38  2053.40 16287.85  2641.27 18144.57  3264.68  195.809   16.775  204.967   19.866 -9.158585 26.00071 
1 1 1   78    8    9 o  135.473   11.333  7647.94  1235.23  7393.87  1495.13  8194.20  2192.35  132.250   14.143  136.560   20.397 -4.309525 24.82046 
1 1 1   78    8   10 o   31.460   12.739  187.467  505.606   99.914  552.000  643.616  1259.96   31.269   13.051   50.458   20.222 -19.18891 24.06793 
1 1 1   78    8   11 o   19.334   9.2742 -591.9850  419.748 -445.0862  436.419 -2405.3040  1533.32   21.219   9.9639   35.119   17.059 -13.90035 19.75567 
1 1 1   78    8   12 f   29.756   12.542   65.025  517.536  228.642  561.963 -848.7585  1328.05   33.266   13.444   38.940   17.977 -5.673927 22.44802 
1 1 1   78    8   13 f   92.748   13.457  3723.97  983.841  3312.80  1178.26  4670.75  1787.95   85.614   17.539   99.095   22.708 -13.48090 28.69271 
1 1 1   78    8   14 o   36.360   15.019  240.814  720.232   21.796  822.234  962.917  1492.98   35.804   15.466   54.557   21.961 -18.75310 26.86023 
1 1 1   78   10    0 o   69.749   28.590  1118.95  2584.61   0.0000   0.0000  1118.95  2584.61  ?   ?    69.749   28.590 0.000000 28.58994 
1 1 1   78   10    1 o  ?   ?  -5626.6372  1173.97   0.0000   0.0000 -5626.6372  1173.97  ?   ?   ?   ?  0.000000      ? 
1 1 1   78   10    2 o   81.537   29.007  2732.05  2416.05   0.0000   0.0000  2732.05  2416.05  ?   ?    81.537   29.007 0.000000 29.00734 
1 1 1   78   10    3 o  109.662   30.054  5600.92  2755.54   0.0000   0.0000  5600.92  2755.54  ?   ?   109.662   30.054 0.000000 30.05388 
1 1 1   78   10    4 o   66.810   25.236  1557.97  1871.90   0.0000   0.0000  1557.97  1871.90  ?   ?    66.810   25.236 0.000000 25.23569 
1 1 1   78   10    5 o  100.201   28.571  4641.98  2437.98   0.0000   0.0000  4641.98  2437.98  ?   ?   100.201   28.571 0.000000 28.57066 
1 1 1   78   10    6 o  193.540   26.324 16831.04  4029.47   0.0000   0.0000 16831.04  4029.47  ?   ?   193.540   26.324 0.000000 26.32433 
1 1 1   78   10    7 o  142.208   24.790  9117.78  2758.38 14227.43  8403.49  8500.77  2920.18  152.172   54.102  135.745   27.438 16.42766 60.66223 
1 1 1   78   10    8 o   26.593   9.1805  263.827  240.808  203.598  244.138  2426.61  1462.98   24.935   9.1728   73.896   22.423 -48.96030 24.22636 
1 1 1   78   10    9 o   37.410   10.546  594.504  334.118  543.995  343.711  1461.68  1424.17   36.068   10.851   61.361   22.218 -25.29337 24.72624 
1 1 1   78   10   10 o   31.846   11.180  375.216  357.869  318.810  369.201  1251.97  1455.60   30.750   11.285   58.973   22.259 -28.22257 24.95586 
1 1 1   78   10   11 o  128.122   10.402  6859.13  1072.76  5471.23  1236.33 11087.99  2158.08  113.112   13.744  159.760   16.893 -46.64777 21.77738 
1 1 1   78   10   12 o  150.835   10.949  9556.19  1331.84  7632.36  1571.82 14453.39  2507.81  132.856   14.824  181.491   17.224 -48.63496 22.72455 
1 1 1   78   10   13 o   58.385   13.409  1509.50  622.270  1497.86  670.766  1581.37  1666.83   57.932   14.337   62.356   23.751 -4.423462 27.74264 
1 1 1   78   12    0 o  353.897   39.089 61452.54 11044.76   0.0000   0.0000 61452.54 11044.76  ?   ?   353.897   39.089 0.000000 39.08865 
1 1 1   78   12    1 o  315.693   34.813 47193.94  8775.17   0.0000   0.0000 47193.94  8775.17  ?   ?   315.693   34.813 0.000000 34.81254 
1 1 1   78   12    2 o   60.942   25.311  666.434  2061.87   0.0000   0.0000  666.434  2061.87  ?   ?    60.942   25.311 0.000000 25.31139 
1 1 1   78   12    3 o  111.309   30.276  5839.81  2808.82   0.0000   0.0000  5839.81  2808.82  ?   ?   111.309   30.276 0.000000 30.27600 
1 1 1   78   12    4 o   62.704   25.345  990.238  1997.51   0.0000   0.0000  990.238  1997.51  ?   ?    62.704   25.345 0.000000 25.34498 
1 1 1   78   12    5 o   43.772   20.041 -925.5626  1603.82   0.0000   0.0000 -925.5626  1603.82  ?   ?    43.772   20.041 0.000000 20.04121 
1 1 1   78   12    6 o   66.660   25.440  1556.88  1914.65   0.0000   0.0000  1556.88  1914.65  ?   ?    66.660   25.440 0.000000 25.43970 
1 1 1   78   12    7 o   59.319   23.583  1000.73  1699.88 -4567.9551  8158.81  1253.44  1738.03   86.992   41.500   62.069   24.093 24.92386 47.98647 
1 1 1   78   12    8 o  136.720   25.473  8608.87  2723.81 24040.13  8537.59  6860.21  2874.00  197.745   52.351  119.228   29.776 78.51701 60.22638 
1 1 1   78   12    9 o   65.562   24.461  1653.93  1747.73 -4531.7632  7816.53  1979.45  1793.13   83.217   39.945   69.205   24.950 14.01151 47.09657 
1 1 1   78   12   10 o   71.435   24.947  2237.45  1780.70 -8822.0469  9682.09  2624.64  1811.60   82.692   40.724   75.825   25.189 6.867287 47.88433 
1 1 1   78   12   11 o   48.209   9.4249  995.023  355.704  1047.02  363.982 -109.2578  1677.44   49.488   9.4020   49.015   21.611 0.4723625 23.56739 
1 1 1   78   12   12 o  116.203   24.834  6579.62  2272.08 29857.01 10750.06  5491.17  2324.59  170.968   61.148  104.119   27.198 66.84854 66.92435 
1 1 1   78   12   13 o   44.831   20.133 -282.8237  1525.82 -1218.8521 12231.54 -268.0276  1537.83   87.347   43.494   45.096   20.235 42.25045 47.97006 
1 1 1   78   14    0 o  191.683   35.321 17965.94  5294.78   0.0000   0.0000 17965.94  5294.78  ?   ?   191.683   35.321 0.000000 35.32075 
1 1 1   78   14    1 o  239.797   33.389 27424.01  6324.72   0.0000   0.0000 27424.01  6324.72  ?   ?   239.797   33.389 0.000000 33.38921 
1 1 1   78   14    2 o  104.590   32.268  5245.98  3013.80   0.0000   0.0000  5245.98  3013.80  ?   ?   104.590   32.268 0.000000 32.26762 
1 1 1   78   14    3 o  111.014   32.106  5960.84  3058.25   0.0000   0.0000  5960.84  3058.25  ?   ?   111.014   32.106 0.000000 32.10574 
1 1 1   78   14    4 o  147.739   31.287 10441.27  3636.29   0.0000   0.0000 10441.27  3636.29  ?   ?   147.739   31.287 0.000000 31.28667 
1 1 1   78   14    5 o  101.798   30.875  4971.75  2774.27   0.0000   0.0000  4971.75  2774.27  ?   ?   101.798   30.875 0.000000 30.87494 
1 1 1   78   14    6 o   51.754   22.843 -245.7958  1879.23   0.0000   0.0000 -245.7958  1879.23  ?   ?    51.754   22.843 0.000000 22.84317 
1 1 1   78   14    7 o  141.856   27.631  9477.30  3068.16  7101.53  9433.54  9758.34  3244.56  117.291   51.496  143.074   28.924 -25.78286 59.06246 
1 1 1   78   14    8 o  137.016   27.714  8944.51  2977.33 -1647.4880  9678.29 10051.68  3129.07   95.401   45.425  145.642   27.467 -50.24087 53.08343 
1 1 1   78   14    9 f  236.823   26.744 26391.82  5052.57 25306.02 12634.78 26598.51  5512.53  158.782   63.896  234.246   29.646 -75.46425 70.43853 
1 1 1   78   14   10 f  191.927   25.991 17525.04  3946.19 27330.06 11948.68 16324.65  4180.77  161.542   63.042  181.710   29.335 -20.16820 69.53342 
1 1 1   78   14   11 o   68.616   27.018  1884.56  2211.26 -11667.1504 10563.84  2505.56  2261.36   77.753   38.973   74.142   27.793 3.611397 47.86754 
1 1 1   78   14   12 o  104.788   31.354  6128.85  2875.29 17538.78 12074.01  5442.89  2960.46  114.876   53.437   97.946   32.184 16.93011 62.38036 
1 1 1   78   16    0 o  282.585   39.227 41042.07  8757.91   0.0000   0.0000 41042.07  8757.91  ?   ?   282.585   39.227 0.000000 39.22726 
1 1 1   78   16    1 o  165.776   36.428 13942.74  4769.46   0.0000   0.0000 13942.74  4769.46  ?   ?   165.776   36.428 0.000000 36.42757 
1 1 1   78   16    2 o  107.902   34.148  5800.45  3352.57   0.0000   0.0000  5800.45  3352.57  ?   ?   107.902   34.148 0.000000 34.14811 
1 1 1   78   16    3 o  192.690   33.440 18168.03  5042.18   0.0000   0.0000 18168.03  5042.18  ?   ?   192.690   33.440 0.000000 33.43982 
1 1 1   78   16    4 f  140.837   35.531 10135.95  4062.90   0.0000   0.0000 10135.95  4062.90  ?   ?   140.837   35.531 0.000000 35.53102 
1 1 1   78   16    5 o   61.408   26.374  414.788  2364.40   0.0000   0.0000  414.788  2364.40  ?   ?    61.408   26.374 0.000000 26.37435 
1 1 1   78   16    6 o   75.055   29.027  2181.39  2515.48   0.0000   0.0000  2181.39  2515.48  ?   ?    75.055   29.027 0.000000 29.02692 
1 1 1   78   16    7 o   49.420   22.433 -717.8755  1954.48   0.0000   0.0000 -717.8755  1954.48  ?   ?    49.420   22.433 0.000000 22.43256 
1 1 1   78   16    8 o   79.356   29.138  2847.59  2461.74 16121.85 10193.21  2025.40  2536.83  136.437   56.440   72.970   28.873 63.46714 63.39687 
1 1 1   78   16    9 o   91.226   30.159  4236.15  2598.10 15641.74 10850.29  3542.42  2675.95  127.487   55.618   84.914   30.494 42.57356 63.42857 
1 1 1   78   16   10 f   59.709   26.018  481.806  2368.24 -10845.5098 10883.31  1044.82  2426.38   79.050   39.613   63.725   27.023 15.32499 47.95238 
1 1 1   78   16   11 o   60.667   26.470  664.430  2458.23  4206.33 11841.81  504.925  2512.97   93.692   45.919   60.181   26.496 33.51145 53.01538 
1 1 1   78   18    0 o   84.922   34.791  2707.81  3824.88   0.0000   0.0000  2707.81  3824.88  ?   ?    84.922   34.791 0.000000 34.79087 
1 1 1   78   18    1 o   43.439   21.268 -4208.1069  2521.65   0.0000   0.0000 -4208.1069  2521.65  ?   ?    43.439   21.268 0.000000 21.26849 
1 1 1   78   18    2 o   52.128   24.345 -1735.4871  2546.18   0.0000   0.0000 -1735.4871  2546.18  ?   ?    52.128   24.345 0.000000 24.34510 
1 1 1   78   18    3 o  115.421   36.077  7062.12  3753.58   0.0000   0.0000  7062.12  3753.58  ?   ?   115.421   36.077 0.000000 36.07731 
1 1 1   78   18    4 o  117.356   35.663  7317.55  3698.86   0.0000   0.0000  7317.55  3698.86  ?   ?   117.356   35.663 0.000000 35.66325 
1 1 1   78   18    5 o  231.539   35.683 27772.87  6492.97   0.0000   0.0000 27772.87  6492.97  ?   ?   231.539   35.683 0.000000 35.68304 
1 1 1   78   18    6 f   76.572   30.487  2303.17  2844.59   0.0000   0.0000  2303.17  2844.59  ?   ?    76.572   30.487 0.000000 30.48704 
1 1 1   78   18    7 o   50.259   23.182 -1061.2080  2201.12   0.0000   0.0000 -1061.2080  2201.12  ?   ?    50.259   23.182 0.000000 23.18167 
1 1 1   78   18    8 o   69.446   28.295  1740.80  2512.48  3213.14 13491.28  1687.90  2557.22  100.339   49.142   69.342   28.432 30.99698 56.77410 
1 1 1   78   18    9 o  115.524   33.702  7582.00  3356.91   0.0000   0.0000  7582.00  3356.91  ?   ?   115.524   33.702 0.000000 33.70242 
1 1 1   78   18   10 o   95.394   31.876  5213.22  2900.02  5418.29 13552.13  5203.38  2968.79   94.088   46.670   94.988   32.250 -0.8995972 56.72892 
1 1 1   78   20    0 o   80.795   34.810  1995.68  4143.53   0.0000   0.0000  1995.68  4143.53  ?   ?    80.795   34.810 0.000000 34.81029 
1 1 1   78   20    1 o   79.195   32.337  2414.82  3290.66   0.0000   0.0000  2414.82  3290.66  ?   ?    79.195   32.337 0.000000 32.33721 
1 1 1   78   20    2 o   84.439   34.088  3068.62  3608.59   0.0000   0.0000  3068.62  3608.59  ?   ?    84.439   34.088 0.000000 34.08817 
1 1 1   78   20    3 f  152.242   39.721 13334.69  4961.80   0.0000   0.0000 13334.69  4961.80  ?   ?   152.242   39.721 0.000000 39.72060 
1 1 1   78   20    4 o   73.119   31.009  1564.43  3195.31   0.0000   0.0000  1564.43  3195.31  ?   ?    73.119   31.009 0.000000 31.00874 
1 1 1   78   20    5 o  186.948   38.988 19896.02  5726.61   0.0000   0.0000 19896.02  5726.61  ?   ?   186.948   38.988 0.000000 38.98806 
1 1 1   78   20    6 o  196.714   36.621 21569.81  5634.11   0.0000   0.0000 21569.81  5634.11  ?   ?   196.714   36.621 0.000000 36.62141 
1 1 1   78   20    7 o  156.614   37.873 14513.09  4763.25   0.0000   0.0000 14513.09  4763.25  ?   ?   156.614   37.873 0.000000 37.87254 
1 1 1   78   20    8 o  108.996   35.289  7220.39  3564.80 19811.92 14830.64  6448.29  3672.47  111.077   53.741  102.249   35.820 8.827377 64.58460 
1 1 1   78   20    9 o   84.075   32.330  4040.48  3106.97  4615.62 17290.71  4021.29  3158.37   91.071   46.156   83.901   32.504 7.170349 56.45217 
1 1 1   78   22    0 o  134.469   47.237 13572.64  6388.53   0.0000   0.0000 13572.64  6388.53  ?   ?   134.469   47.237 0.000000 47.23680 
1 1 1   78   22    1 o   78.623   34.823  1811.04  4404.28   0.0000   0.0000  1811.04  4404.28  ?   ?    78.623   34.823 0.000000 34.82295 
1 1 1   78   22    2 o   54.752   26.101 -2479.3931  3215.91   0.0000   0.0000 -2479.3931  3215.91  ?   ?    54.752   26.101 0.000000 26.10135 
1 1 1   78   22    3 o  160.323   43.822 16955.57  5867.56   0.0000   0.0000 16955.57  5867.56  ?   ?   160.323   43.822 0.000000 43.82169 
1 1 1   78   22    4 o  201.870   44.547 26639.45  7106.17   0.0000   0.0000 26639.45  7106.17  ?   ?   201.870   44.547 0.000000 44.54749 
1 1 1   78   22    5 o  108.831   39.171  7853.08  4418.02   0.0000   0.0000  7853.08  4418.02  ?   ?   108.831   39.171 0.000000 39.17135 
1 1 1   78   22    6 o  131.378   41.230 11980.43  4896.87   0.0000   0.0000 11980.43  4896.87  ?   ?   131.378   41.230 0.000000 41.23015 
1 1 1   78   22    7 f   52.427   24.827 -1596.9540  2814.35   0.0000   0.0000 -1596.9540  2814.35  ?   ?    52.427   24.827 0.000000 24.82684 
1 1 1   78   22    8 o   76.468   32.183  3130.51  3400.21   0.0000   0.0000  3130.51  3400.21  ?   ?    76.468   32.183 0.000000 32.18339 
1 1 1   78   24    0 o  144.740   52.751 21250.91  8047.10   0.0000   0.0000 21250.91  8047.10  ?   ?   144.740   52.751 0.000000 52.75083 
1 1 1   78   24    1 o   75.205   34.686  1392.81  4927.13   0.0000   0.0000  1392.81  4927.13  ?   ?    75.205   34.686 0.000000 34.68631 
1 1 1   78   24    2 o   82.226   36.045  3560.65  4606.02   0.0000   0.0000  3560.65  4606.02  ?   ?    82.226   36.045 0.000000 36.04461 
1 1 1   78   24    3 o   52.162   25.387 -3471.8789  3439.90   0.0000   0.0000 -3471.8789  3439.90  ?   ?    52.162   25.387 0.000000 25.38669 
1 1 1   78   24    4 o   84.882   36.392  4487.84  4487.30   0.0000   0.0000  4487.84  4487.30  ?   ?    84.882   36.392 0.000000 36.39179 
1 1 1   78   24    5 o   80.507   35.041  3790.77  4285.19   0.0000   0.0000  3790.77  4285.19  ?   ?    80.507   35.041 0.000000 35.04107 
1 1 1   78   24    6 o   92.639   36.561  6328.06  4057.69   0.0000   0.0000  6328.06  4057.69  ?   ?    92.639   36.561 0.000000 36.56062 
1 1 1   78   26    0 o   99.723   44.974 13113.62  7708.08   0.0000   0.0000 13113.62  7708.08  ?   ?    99.723   44.974 0.000000 44.97420 
1 1 1   78   26    1 o  109.992   46.957 15631.84  7413.75   0.0000   0.0000 15631.84  7413.75  ?   ?   109.992   46.957 0.000000 46.95655 
1 1 1   78   26    2 o  131.750   51.145 22308.24  7832.32   0.0000   0.0000 22308.24  7832.32  ?   ?   131.750   51.145 0.000000 51.14491 
1 1 1   78   26    3 o   80.192   36.495  4813.64  5215.89   0.0000   0.0000  4813.64  5215.89  ?   ?    80.192   36.495 0.000000 36.49496 
1 1 1   78   26    4 o   85.435   38.062  6691.70  5338.29   0.0000   0.0000  6691.70  5338.29  ?   ?    85.435   38.062 0.000000 38.06152 
1 1 1   79    1    0 o  122.731   16.764  6391.90  1626.92  6411.33  2220.85  6369.40  2390.08  120.584   23.527  119.484   25.417 1.100639 34.63460 
1 1 1   79    1    1 o  226.566   16.953 21543.16  3096.14 19867.18  4281.87 23379.64  4482.21  213.397   25.198  232.333   24.111 -18.93559 34.87519 
1 1 1   79    1    2 o  397.615   23.058 67785.15  7412.33 68112.61 10372.18 67443.36 10596.64  387.739   33.267  384.592   34.293 3.147064 47.77816 
1 1 1   79    1    3 f   20.105   9.7692 -870.8410  503.931 -713.5886  648.273 -1110.9550  801.065   25.511   12.030   26.822   12.852 -1.311407 17.60380 
1 1 1   79    1    4 o   88.570   14.935  3342.03  1035.83  3203.38  1439.49  3490.92  1491.69   85.264   20.944   89.016   20.981 -3.752007 29.64549 
1 1 1   79    1    5 o  184.961   13.995 14260.47  2086.25 14217.31  2836.98 14311.30  3078.62  182.512   19.443  182.303   21.194 0.2086334 28.76109 
1 1 1   79    1    6 o  189.153   13.738 14911.23  2095.62 15366.79  2883.28 14401.08  3051.14  189.870   18.956  182.814   20.932 7.055893 28.23944 
1 1 1   79    1    7 o  171.067   16.519 12373.31  2265.89 12862.06  2389.37  8007.83  7140.96  174.191   17.114  127.065   48.972 47.12571 51.87680 
1 1 1   79    1    8 o  170.024   12.207 12020.31  1674.02 11314.80  2331.99 12770.38  2404.51  162.723   17.948  173.260   17.324 -10.53677 24.94532 
1 1 1   79    1    9 o  159.681   17.056 10880.95  2177.14 11544.67  7568.81 10821.08  2273.22  141.057   51.197  158.833   17.941 -17.77621 54.24958 
1 1 1   79    1   10 o  198.586   13.057 16499.18  2093.63 15591.99  2947.21 17423.36  2974.67  189.688   19.408  201.226   18.410 -11.53746 26.75109 
1 1 1   79    1   11 o  118.183   13.206  5908.71  1245.59  5175.19  1786.61  6602.43  1737.47  107.200   21.276  123.052   17.915 -15.85191 27.81451 
1 1 1   79    1   12 o   96.432   15.102  4029.60  1143.67  4025.26  1620.71  4033.91  1614.10   93.565   21.747   93.711   21.649 -0.1466293 30.68523 
1 1 1   79    1   13 f   62.068   18.422  1729.05  995.558  2964.83  1412.41  508.828  1403.49   79.755   21.376   50.277   20.882 29.47823 29.88317 
1 1 1   79    1   14 o   54.672   19.181  1259.60  1053.16  2661.38  1427.82 -413.0520  1559.68   74.755   22.029   44.868   20.233 29.88743 29.91096 
1 1 1   79    3    0 o   62.991   8.5688  1652.07  426.886  1821.02  439.748 -1109.8760  1778.04   66.224   8.3646   45.899   21.047 20.32512 22.64807 
1 1 1   79    3    1 o   59.277   17.544  1496.17  903.903  947.612  1144.64  2405.00  1473.33   53.204   19.807   74.541   22.476 -21.33694 29.95784 
1 1 1   79    3    2 o  113.543   14.654  5430.55  1319.49  5217.06  1658.92  5798.21  2177.04  109.852   19.303  114.235   24.222 -4.383507 30.97294 
1 1 1   79    3    3 f  290.249   18.023 35476.11  4226.61 36495.23  5701.79 34233.06  6297.11  290.130   24.431  277.983   28.293 12.14667 37.38150 
1 1 1   79    3    4 o  173.102   18.037 12707.70  2497.90 12707.70  2497.90   0.0000   0.0000  173.102   18.037  ?   ?  0.000000 18.03681 
1 1 1   79    3    5 o  149.264   17.020  9443.29  2025.93  9443.29  2025.93   0.0000   0.0000  149.264   17.020  ?   ?  0.000000 17.02028 
1 1 1   79    3    6 o  289.761   17.176 35364.44  4023.07 34255.17  5477.90 36663.33  5927.62  280.173   24.321  288.902   25.532 -8.729645 35.26173 
1 1 1   79    3    7 o  208.583   13.602 18135.53  2291.06 18604.84  2987.48 17465.43  3569.83  209.400   17.737  200.365   22.322 9.035614 28.51124 
1 1 1   79    3    8 o   97.643   13.241  4026.71  1022.73  3876.61  1314.43  4257.02  1628.14   94.385   17.804   97.898   21.104 -3.512642 27.61084 
1 1 1   79    3    9 o   71.711   15.369  2234.79  867.961  1837.18  1133.31  2798.85  1349.85   65.046   19.735   79.177   20.747 -14.13090 28.63366 
1 1 1   79    3   10 o  166.664   18.009 11969.58  2398.33 22368.27  8132.86 10979.16  2509.94  194.501   50.905  158.534   19.940 35.96721 54.67092 
1 1 1   79    3   11 f   37.191   15.371  205.593  755.097   53.010  969.166  441.290  1204.54   39.664   16.956   47.517   19.502 -7.853580 25.84273 
1 1 1   79    3   12 o   54.496   17.686  1264.65  895.019  1646.24  1333.77  952.053  1207.17   62.443   21.603   52.875   20.195 9.567482 29.57251 
1 1 1   79    3   13 o   83.379   17.160  3116.84  1123.00  1824.76  1592.53  4394.83  1583.83   65.351   23.518   97.629   20.626 -32.27760 31.28168 
1 1 1   79    3   14 o   56.161   18.964  1376.72  1026.50  1187.65  1508.37  1539.83  1400.95   57.244   22.382   60.318   22.006 -3.073635 31.38842 
1 1 1   79    5    0 o  314.721   15.475 41234.01  3954.52 40898.98  4570.10 42232.40  7889.34  311.527   18.146  304.891   32.363 6.635620 37.10298 
1 1 1   79    5    1 o  124.518   8.6427  6373.94  868.403  5938.28  921.474  9832.64  2596.38  120.000   9.5358  150.551   21.880 -30.55050 23.86778 
1 1 1   79    5    2 o  262.229   16.666 28843.42  3530.03 27596.16  4538.33 30753.90  5616.77  253.308   22.292  264.532   26.507 -11.22368 34.63446 
1 1 1   79    5    3 o  272.366   17.051 31169.89  3751.86 31113.18  4889.61 31251.09  5850.62  268.727   22.619  265.745   27.513 2.981903 35.61734 
1 1 1   79    5    4 o   95.684   12.843  3848.33  972.632  3272.39  1136.13  5428.65  1881.95   87.107   16.671  111.128   21.635 -24.02068 27.31275 
1 1 1   79    5    5 o  142.428   12.574  8446.59  1439.26  7082.46  1774.52 11069.21  2460.48  128.816   17.412  160.748   19.233 -31.93187 25.94382 
1 1 1   79    5    6 o  137.007   12.812  7834.28  1408.73  8529.87  1777.28  6658.69  2310.52  142.087   15.665  122.074   24.166 20.01379 28.79893 
1 1 1   79    5    7 o  121.695   12.509  6192.39  1218.41  5633.38  1490.65  7317.63  2114.89  114.792   16.464  129.368   20.842 -14.57582 26.56027 
1 1 1   79    5    8 o  323.221   16.402 44070.66  4290.58 43330.07  5927.62 44885.70  6218.42  314.493   23.380  319.327   24.162 -4.833679 33.62188 
1 1 1   79    5    9 o  160.205   12.354 10714.51  1594.60  9247.88  2099.72 12712.97  2451.03  146.494   18.033  172.173   17.789 -25.67836 25.33062 
1 1 1   79    5   10 o  145.391   12.144  8846.11  1420.48  7829.56  1884.78 10182.67  2161.18  134.487   17.689  153.641   17.644 -19.15405 24.98437 
1 1 1   79    5   11 o   64.269   22.450  1719.09  1442.10 -6883.8599  7566.69  2043.35  1469.02   77.681   37.771   68.401   22.681 9.280190 44.05713 
1 1 1   79    5   12 o   27.979   12.845 -440.5773  664.959 -1147.8459  803.717  1094.01  1183.88   26.398   12.706   54.258   20.154 -27.86058 23.82557 
1 1 1   79    5   13 f  118.426   13.172  6008.03  1245.08  4868.44  1623.68  7634.60  1939.83  102.965   20.143  130.360   18.876 -27.39548 27.60469 
1 1 1   79    5   14 o  119.729   13.295  6195.36  1270.69  3844.06  1668.29  9444.36  1961.06   88.788   22.968  145.586   16.904 -56.79791 28.51769 
1 1 1   79    7    0 o  221.023   29.935 22095.25  5233.99   0.0000   0.0000 22095.25  5233.99  ?   ?   221.023   29.935 0.000000 29.93491 
1 1 1   79    7    1 o  164.865   28.307 12266.36  3652.83   0.0000   0.0000 12266.36  3652.83  ?   ?   164.865   28.307 0.000000 28.30718 
1 1 1   79    7    2 o  187.305   26.639 15600.81  3937.30   0.0000   0.0000 15600.81  3937.30  ?   ?   187.305   26.639 0.000000 26.63941 
1 1 1   79    7    3 o   90.298   27.662  3653.52  2219.34   0.0000   0.0000  3653.52  2219.34  ?   ?    90.298   27.662 0.000000 27.66207 
1 1 1   79    7    4 o  249.657   27.165 27716.61  5417.75   0.0000   0.0000 27716.61  5417.75  ?   ?   249.657   27.165 0.000000 27.16454 
1 1 1   79    7    5 o  235.979   14.076 23225.15  2684.80 19350.20  3388.25 29763.21  4401.16  212.511   19.867  263.299   20.755 -50.78795 28.73038 
1 1 1   79    7    6 o   21.589   9.6529 -146.6801  346.726 -169.7947  358.450  189.449  1366.91   21.693   9.7489   48.095   20.333 -26.40215 22.54887 
1 1 1   79    7    7 o   83.011   12.247  2910.96  800.684  2941.94  916.039  2810.68  1648.19   82.965   14.103   79.434   23.732 3.530235 27.60617 
1 1 1   79    7    8 o   72.311   13.250  2239.79  749.265  2389.57  844.834  1687.85  1621.78   74.419   14.503   65.786   23.726 8.632538 27.80752 
1 1 1   79    7    9 o  112.803   12.025  5338.31  1084.43  5042.73  1286.46  6063.99  2015.73  108.645   14.982  116.259   22.162 -7.614128 26.75118 
1 1 1   79    7   10 o  125.597   12.235  6627.89  1231.88  6267.38  1498.59  7379.15  2163.30  120.829   15.642  128.413   21.508 -7.584442 26.59466 
1 1 1   79    7   11 o  213.743   12.926 19223.44  2232.79 15886.13  2953.41 23675.26  3411.10  190.089   19.407  233.437   18.139 -43.34784 26.56420 
1 1 1   79    7   12 o  178.267   20.620 14292.17  2929.55 13654.31 10805.27 14342.78  3043.55  125.679   55.147  177.844   21.514 -52.16486 59.19507 
1 1 1   79    7   13 o   56.979   16.607  1452.95  815.421  851.781  923.785  3573.88  1735.14   47.936   17.804   85.768   23.981 -37.83177 29.86751 
1 1 1   79    7   14 o  105.116   14.074  4840.84  1171.06  5978.87  1447.82  2687.62  1991.51  115.946   15.789   73.976   26.334 41.96963 30.70467 
1 1 1   79    9    0 o  172.051   30.718 13660.80  4133.87   0.0000   0.0000 13660.80  4133.87  ?   ?   172.051   30.718 0.000000 30.71800 
1 1 1   79    9    1 o  224.663   30.007 22968.44  5337.02   0.0000   0.0000 22968.44  5337.02  ?   ?   224.663   30.007 0.000000 30.00689 
1 1 1   79    9    2 o  241.534   29.733 26465.54  5708.04   0.0000   0.0000 26465.54  5708.04  ?   ?   241.534   29.733 0.000000 29.73293 
1 1 1   79    9    3 o  185.567   28.236 15579.62  4120.22   0.0000   0.0000 15579.62  4120.22  ?   ?   185.567   28.236 0.000000 28.23565 
1 1 1   79    9    4 o  193.855   27.549 16932.89  4214.27   0.0000   0.0000 16932.89  4214.27  ?   ?   193.855   27.549 0.000000 27.54870 
1 1 1   79    9    5 o  266.470   28.525 32100.48  6075.87   0.0000   0.0000 32100.48  6075.87  ?   ?   266.470   28.525 0.000000 28.52465 
1 1 1   79    9    6 o  196.063   25.414 17171.21  3950.63   0.0000   0.0000 17171.21  3950.63  ?   ?   196.063   25.414 0.000000 25.41392 
1 1 1   79    9    7 o  116.605   9.5667  5628.58  897.791  4540.09  985.641 10931.16  2175.45  104.066   11.877  160.010   17.005 -55.94381 20.74205 
1 1 1   79    9    8 o   65.855   10.546  1833.27  544.905  1940.17  578.564  993.894  1621.22   67.707   10.893   58.462   23.098 9.244766 25.53785 
1 1 1   79    9    9 f   33.490   11.685  418.759  390.601  335.007  406.325  1438.52  1417.84   31.920   11.817   61.017   22.157 -29.09752 25.11122 
1 1 1   79    9   10 o   37.082   12.912  521.967  476.856  194.343  502.460  3493.09  1513.12   31.451   12.712   87.426   21.472 -55.97526 24.95238 
1 1 1   79    9   11 o  103.092   11.911  4499.45  978.647  4802.46  1108.39  3427.67  2084.57  106.090   13.149   84.719   26.939 21.37070 29.97690 
1 1 1   79    9   12 o  117.323   11.671  5829.68  1097.09  4911.69  1271.06  8511.45  2172.50  106.081   15.190  136.987   20.132 -30.90548 25.22020 
1 1 1   79    9   13 f  185.822   20.926 15953.06  3102.45 24880.51 11450.25 15245.74  3223.01  140.997   59.186  179.928   22.557 -38.93098 63.33848 
1 1 1   79   11    0 o  164.723   32.989 12898.11  4258.47   0.0000   0.0000 12898.11  4258.47  ?   ?   164.723   32.989 0.000000 32.98935 
1 1 1   79   11    1 o  125.077   33.014  7518.35  3401.89   0.0000   0.0000  7518.35  3401.89  ?   ?   125.077   33.014 0.000000 33.01371 
1 1 1   79   11    2 o  205.393   29.690 19360.70  4807.72   0.0000   0.0000 19360.70  4807.72  ?   ?   205.393   29.690 0.000000 29.68962 
1 1 1   79   11    3 o  116.438   31.512  6450.52  3051.88   0.0000   0.0000  6450.52  3051.88  ?   ?   116.438   31.512 0.000000 31.51205 
1 1 1   79   11    4 o   43.995   20.147 -945.4055  1622.00   0.0000   0.0000 -945.4055  1622.00  ?   ?    43.995   20.147 0.000000 20.14738 
1 1 1   79   11    5 f   70.756   26.194  1908.20  1996.41   0.0000   0.0000  1908.20  1996.41  ?   ?    70.756   26.194 0.000000 26.19420 
1 1 1   79   11    6 o   92.009   27.558  3916.08  2220.42   0.0000   0.0000  3916.08  2220.42  ?   ?    92.009   27.558 0.000000 27.55808 
1 1 1   79   11    7 o  206.338   24.211 19055.38  3979.13 17657.42 10014.71 19317.45  4336.09  158.959   58.703  205.897   26.555 -46.93732 64.43050 
1 1 1   79   11    8 o  258.077   24.484 29964.75  5069.24 39272.36 11704.72 27815.86  5624.06  243.230   59.708  244.023   28.949 -0.7931213 66.35541 
1 1 1   79   11    9 o  165.648   10.092 11390.48  1350.95  9370.96  1523.67 18813.76  2921.24  149.215   12.697  208.877   17.382 -59.66199 21.52528 
1 1 1   79   11   10 o   24.627   9.2027  190.873  247.554  128.846  250.656  2650.78  1578.51   23.128   9.0998   75.868   23.344 -52.74035 25.05450 
1 1 1   79   11   11 o   23.152   9.3714   98.511  273.519   99.572  277.433   61.702  1634.01   23.306   9.4366   49.636   21.621 -26.33053 23.59044 
1 1 1   79   11   12 o   97.162   10.119  3980.77  786.597  3493.32  843.377  7239.62  2180.66   90.359   11.775  123.844   22.515 -33.48509 25.40828 
1 1 1   79   11   13 o   81.072   25.491  3340.28  1870.88 -3157.8350 12694.76  3484.54  1891.53   86.037   43.066   82.664   25.573 3.373222 50.08636 
1 1 1   79   13    0 o  163.415   35.356 13154.79  4555.01   0.0000   0.0000 13154.79  4555.01  ?   ?   163.415   35.356 0.000000 35.35606 
1 1 1   79   13    1 o   68.062   27.967  1115.62  2480.88   0.0000   0.0000  1115.62  2480.88  ?   ?    68.062   27.967 0.000000 27.96722 
1 1 1   79   13    2 o  148.426   32.059 10557.43  3750.75   0.0000   0.0000 10557.43  3750.75  ?   ?   148.426   32.059 0.000000 32.05944 
1 1 1   79   13    3 o  216.236   30.960 21907.37  5280.62   0.0000   0.0000 21907.37  5280.62  ?   ?   216.236   30.960 0.000000 30.95953 
1 1 1   79   13    4 o  225.636   30.667 23841.05  5472.94   0.0000   0.0000 23841.05  5472.94  ?   ?   225.636   30.667 0.000000 30.66721 
1 1 1   79   13    5 o  129.374   30.647  8040.27  3169.93   0.0000   0.0000  8040.27  3169.93  ?   ?   129.374   30.647 0.000000 30.64730 
1 1 1   79   13    6 o  123.688   31.354  7459.87  3153.14   0.0000   0.0000  7459.87  3153.14  ?   ?   123.688   31.354 0.000000 31.35420 
1 1 1   79   13    7 o  187.993   26.533 16306.20  3937.51  2520.23 10581.44 18521.95  4242.16  108.077   50.191  200.308   26.751 -92.23090 56.87501 
1 1 1   79   13    8 o  149.363   27.099 10511.78  3165.44 12378.26 11028.73 10344.22  3304.47  130.079   56.416  146.907   28.732 -16.82831 63.31066 
1 1 1   79   13    9 o   78.977   27.125  2867.39  2100.92 -408.4992  9147.76  3049.80  2158.62   94.239   44.665   80.944   27.499 13.29558 52.45196 
1 1 1   79   13   10 o  144.278   27.044 10089.64  3051.81  9411.30 10914.99 10147.17  3178.58  113.777   52.163  143.638   28.260 -29.86116 59.32626 
1 1 1   79   13   11 o  121.505   26.603  7323.31  2551.87  338.004 11320.16  7697.29  2619.29   93.526   45.635  124.587   26.696 -31.06087 52.86971 
1 1 1   79   13   12 o   72.518   27.386  2471.21  2204.16 17974.96 11582.13  1888.61  2245.20  117.740   53.889   67.776   27.054 49.96385 60.29853 
1 1 1   79   15    0 f  150.355   38.112 11763.04  4658.96   0.0000   0.0000 11763.04  4658.96  ?   ?   150.355   38.112 0.000000 38.11163 
1 1 1   79   15    1 o  143.689   35.967 10491.57  4186.55   0.0000   0.0000 10491.57  4186.55  ?   ?   143.689   35.967 0.000000 35.96729 
1 1 1   79   15    2 o  199.750   33.547 19439.98  5248.10   0.0000   0.0000 19439.98  5248.10  ?   ?   199.750   33.547 0.000000 33.54684 
1 1 1   79   15    3 o  186.075   33.080 16863.48  4814.78   0.0000   0.0000 16863.48  4814.78  ?   ?   186.075   33.080 0.000000 33.07979 
1 1 1   79   15    4 o  147.169   33.122 10716.71  3862.36   0.0000   0.0000 10716.71  3862.36  ?   ?   147.169   33.122 0.000000 33.12171 
1 1 1   79   15    5 o  113.012   32.705  6388.71  3172.53   0.0000   0.0000  6388.71  3172.53  ?   ?   113.012   32.705 0.000000 32.70479 
1 1 1   79   15    6 o  210.539   31.267 21483.87  5182.84   0.0000   0.0000 21483.87  5182.84  ?   ?   210.539   31.267 0.000000 31.26746 
1 1 1   79   15    7 o   97.653   30.804  4728.05  2729.87   0.0000   0.0000  4728.05  2729.87  ?   ?    97.653   30.804 0.000000 30.80440 
1 1 1   79   15    8 o   42.977   20.077 -1313.6071  1733.65 -4648.7832  9398.45 -1196.1281  1763.92   86.820   42.187   44.023   20.460 42.79691 46.88648 
1 1 1   79   15    9 o  109.602   30.094  6170.12  2759.87  887.992 11016.61  6523.82  2850.78   97.098   46.815  112.475   30.463 -15.37658 55.85363 
1 1 1   79   15   10 f  126.780   31.852  8604.04  3274.73  6187.02 12090.19  8795.40  3401.90  102.238   49.230  127.296   32.731 -25.05793 59.11715 
1 1 1   79   15   11 o  126.367   32.827  8977.22  3398.57 35684.49 12959.58  7004.87  3521.83  155.538   63.917  108.192   35.080 47.34583 72.91139 
1 1 1   79   17    0 o  285.606   42.232 44485.77  9498.28   0.0000   0.0000 44485.77  9498.28  ?   ?   285.606   42.232 0.000000 42.23151 
1 1 1   79   17    1 o  269.674   39.286 38288.57  8349.59   0.0000   0.0000 38288.57  8349.59  ?   ?   269.674   39.286 0.000000 39.28596 
1 1 1   79   17    2 o  160.125   36.777 13391.13  4680.93   0.0000   0.0000 13391.13  4680.93  ?   ?   160.125   36.777 0.000000 36.77743 
1 1 1   79   17    3 o  116.542   35.773  7135.90  3709.53   0.0000   0.0000  7135.90  3709.53  ?   ?   116.542   35.773 0.000000 35.77307 
1 1 1   79   17    4 o  132.429   35.627  9225.92  3914.75   0.0000   0.0000  9225.92  3914.75  ?   ?   132.429   35.627 0.000000 35.62712 
1 1 1   79   17    5 o   80.778   31.274  2739.70  2922.39   0.0000   0.0000  2739.70  2922.39  ?   ?    80.778   31.274 0.000000 31.27368 
1 1 1   79   17    6 o   65.117   27.635  879.383  2540.88   0.0000   0.0000  879.383  2540.88  ?   ?    65.117   27.635 0.000000 27.63548 
1 1 1   79   17    7 o  158.843   33.461 13166.51  4179.42   0.0000   0.0000 13166.51  4179.42  ?   ?   158.843   33.461 0.000000 33.46116 
1 1 1   79   17    8 o   98.124   31.864  5113.47  2905.04  6453.53 13709.85  5050.48  2972.54  105.641   51.244   97.360   32.262 8.281654 60.55429 
1 1 1   79   17    9 o   86.798   31.068  3948.38  2775.60   0.0000   0.0000  3948.38  2775.60  ?   ?    86.798   31.068 0.000000 31.06833 
1 1 1   79   17   10 o   88.940   32.682  4461.76  3098.00  8457.27 13305.80  4232.74  3185.55   98.581   48.388   87.091   32.915 11.49064 58.52119 
1 1 1   79   17   11 o   92.926   31.103  5044.19  2761.08  609.463 14437.23  5212.55  2813.00   86.456   43.623   94.153   31.393 -7.696922 53.74509 
1 1 1   79   19    0 o  114.251   40.994  7678.71  4835.21   0.0000   0.0000  7678.71  4835.21  ?   ?   114.251   40.994 0.000000 40.99414 
1 1 1   79   19    1 o  139.159   41.432 11421.22  5030.01   0.0000   0.0000 11421.22  5030.01  ?   ?   139.159   41.432 0.000000 41.43204 
1 1 1   79   19    2 o   58.145   26.767 -1120.2321  2914.90   0.0000   0.0000 -1120.2321  2914.90  ?   ?    58.145   26.767 0.000000 26.76746 
1 1 1   79   19    3 o   88.407   34.291  3694.15  3518.57   0.0000   0.0000  3694.15  3518.57  ?   ?    88.407   34.291 0.000000 34.29098 
1 1 1   79   19    4 o  208.014   38.433 23782.97  6252.30   0.0000   0.0000 23782.97  6252.30  ?   ?   208.014   38.433 0.000000 38.43343 
1 1 1   79   19    5 o  129.318   37.778  9601.53  4215.27   0.0000   0.0000  9601.53  4215.27  ?   ?   129.318   37.778 0.000000 37.77766 
1 1 1   79   19    6 o   78.074   31.597  2561.99  3108.74   0.0000   0.0000  2561.99  3108.74  ?   ?    78.074   31.597 0.000000 31.59690 
1 1 1   79   19    7 o   91.796   33.578  4601.07  3264.91   0.0000   0.0000  4601.07  3264.91  ?   ?    91.796   33.578 0.000000 33.57837 
1 1 1   79   19    8 o   73.420   29.830  2327.37  2782.73  2437.55 13768.45  2322.68  2841.37   93.853   46.636   73.618   30.053 20.23503 55.48093 
1 1 1   79   19    9 o  110.642   34.986  7556.09  3519.68 16245.94 15312.05  7071.33  3616.52  102.576   50.648  105.938   35.596 -3.362442 61.90569 
1 1 1   79   21    0 o   74.675   33.918  573.655  4477.67   0.0000   0.0000  573.655  4477.67  ?   ?    74.675   33.918 0.000000 33.91841 
1 1 1   79   21    1 o  116.803   42.532  9014.59  5229.66   0.0000   0.0000  9014.59  5229.66  ?   ?   116.803   42.532 0.000000 42.53186 
1 1 1   79   21    2 o  151.885   43.309 14839.56  5601.96   0.0000   0.0000 14839.56  5601.96  ?   ?   151.885   43.309 0.000000 43.30917 
1 1 1   79   21    3 o   54.139   24.967 -948.7933  2551.60   0.0000   0.0000 -948.7933  2551.60  ?   ?    54.139   24.967 0.000000 24.96706 
1 1 1   79   21    4 o  124.053   40.462  9894.83  4682.43   0.0000   0.0000  9894.83  4682.43  ?   ?   124.053   40.462 0.000000 40.46223 
1 1 1   79   21    5 o  138.787   41.234 12574.62  4986.00   0.0000   0.0000 12574.62  4986.00  ?   ?   138.787   41.234 0.000000 41.23423 
1 1 1   79   21    6 o   67.893   29.987  1044.02  3243.67   0.0000   0.0000  1044.02  3243.67  ?   ?    67.893   29.987 0.000000 29.98659 
1 1 1   79   21    7 o  105.300   37.355  7354.78  4004.05   0.0000   0.0000  7354.78  4004.05  ?   ?   105.300   37.355 0.000000 37.35529 
1 1 1   79   21    8 o   42.920   20.943 -3104.6130  2384.71   0.0000   0.0000 -3104.6130  2384.71  ?   ?    42.920   20.943 0.000000 20.94290 
1 1 1   79   23    0 o  111.980   45.465 10681.48  6458.58   0.0000   0.0000 10681.48  6458.58  ?   ?   111.980   45.465 0.000000 45.46459 
1 1 1   79   23    1 f  103.716   42.433  8170.59  5679.97   0.0000   0.0000  8170.59  5679.97  ?   ?   103.716   42.433 0.000000 42.43269 
1 1 1   79   23    2 o   68.071   31.336  229.842  3994.14   0.0000   0.0000  229.842  3994.14  ?   ?    68.071   31.336 0.000000 31.33562 
1 1 1   79   23    3 o   83.566   35.833  3771.45  4351.99   0.0000   0.0000  3771.45  4351.99  ?   ?    83.566   35.833 0.000000 35.83340 
1 1 1   79   23    4 o  157.670   44.279 18206.65  5902.04   0.0000   0.0000 18206.65  5902.04  ?   ?   157.670   44.279 0.000000 44.27896 
1 1 1   79   23    5 o  123.538   43.295 12276.79  5365.40   0.0000   0.0000 12276.79  5365.40  ?   ?   123.538   43.295 0.000000 43.29539 
1 1 1   79   23    6 o   52.345   25.203 -2334.5400  3166.91   0.0000   0.0000 -2334.5400  3166.91  ?   ?    52.345   25.203 0.000000 25.20281 
1 1 1   79   25    0 o   95.864   43.147  9814.44  7053.03   0.0000   0.0000  9814.44  7053.03  ?   ?    95.864   43.147 0.000000 43.14697 
1 1 1   79   25    1 o  102.513   44.098 11201.45  6628.60   0.0000   0.0000 11201.45  6628.60  ?   ?   102.513   44.098 0.000000 44.09807 
1 1 1   79   25    2 o   50.245   24.886 -5020.4199  3800.37   0.0000   0.0000 -5020.4199  3800.37  ?   ?    50.245   24.886 0.000000 24.88614 
1 1 1   79   25    3 o  104.985   43.210 11131.99  5934.22   0.0000   0.0000 11131.99  5934.22  ?   ?   104.985   43.210 0.000000 43.21021 
1 1 1   79   25    4 f   95.744   40.626  8789.96  5489.56   0.0000   0.0000  8789.96  5489.56  ?   ?    95.744   40.626 0.000000 40.62622 
1 1 1   79   27    0 o   60.104   29.593 -1658.7679  5103.36   0.0000   0.0000 -1658.7679  5103.36  ?   ?    60.104   29.593 0.000000 29.59307 
1 1 1   79   27    1 o   75.108   35.279  4778.17  5477.63   0.0000   0.0000  4778.17  5477.63  ?   ?    75.108   35.279 0.000000 35.27909 
1 1 1   80    0    0 o  332.126   31.675 48876.87  8363.37   0.0000   0.0000 48876.87  8363.37  332.126   31.675  332.126   31.675 0.000000 0.000000 
1 1 1   80    0    1 o  104.827   28.635  5539.20  2107.20   0.0000   0.0000  5539.20  2107.20  104.827   28.635  104.827   28.635 0.000000 0.000000 
1 1 1   80    0    2 o  131.644   23.913  7934.79  2306.06   0.0000   0.0000  7934.79  2306.06  131.644   23.913  131.644   23.913 0.000000 0.000000 
1 1 1   80    0    3 o  288.216   26.914 36432.09  6172.19   0.0000   0.0000 36432.09  6172.19  288.216   26.914  288.216   26.914 0.000000 0.000000 
1 1 1   80    0    4 o   59.485   26.366  2162.54  1343.51   0.0000   0.0000  2162.54  1343.51   59.485   26.366   59.485   26.366 0.000000 0.000000 
1 1 1   80    0    5 o   62.202   25.083  2267.62  1235.78   0.0000   0.0000  2267.62  1235.78   62.202   25.083   62.202   25.083 0.000000 0.000000 
1 1 1   80    0    6 o  296.173   26.075 38760.41  6158.85   0.0000   0.0000 38760.41  6158.85  296.173   26.075  296.173   26.075 0.000000 0.000000 
1 1 1   80    0    7 o  254.745   21.058 28129.70  4287.32 26331.68  9910.36 28543.68  4755.33  190.769   69.498  254.742   23.447 0.000000 0.000000 
1 1 1   80    0    8 o   71.344   46.024  2789.62  6191.65  2789.62  6191.65   0.0000   0.0000   71.344   46.024   71.344   46.024 0.000000 0.000000 
1 1 1   80    0    9 o   64.584   24.604  2424.09  1214.62  6592.86  5870.42  2237.65  1241.48   86.602   50.464   60.704   25.251 0.000000 0.000000 
1 1 1   80    0   10 o  152.715   18.817 10391.24  2238.22 12688.12  8137.10 10203.23  2328.02  107.159   60.675  150.403   20.063 0.000000 0.000000 
1 1 1   80    0   11 o   71.215   26.879  3031.34  1455.87 10373.48  7371.91  2733.36  1485.12   94.315   55.808   65.651   27.646 0.000000 0.000000 
1 1 1   80    0   12 o  152.991   20.908 10884.05  2459.77 13117.63  8335.26 10670.98  2574.43   94.890   57.739  149.883   22.694 0.000000 0.000000 
1 1 1   80    0   13 o  172.214   21.812 14101.42  2916.81  3798.20  8951.79 15325.23  3085.18   63.338   44.568  179.442   22.070 0.000000 0.000000 
1 1 1   80    0   14 o   43.699   24.772  1412.00  1358.57  1612.73  7192.95  1404.58  1383.47   54.335   38.562   43.599   24.886 0.000000 0.000000 
1 1 1   80    2    0 o  173.695   17.439 12759.91  2426.35 17387.75  3344.13  7615.50  3525.84  201.451   20.741  127.139   33.634 74.31197 39.51535 
1 1 1   80    2    1 o  130.802   15.755  7222.65  1639.61  6974.56  2188.61  7539.99  2475.29  126.239   22.160  130.514   24.250 -4.275017 32.85064 
1 1 1   80    2    2 o  372.807   22.035 59523.19  6640.46 59667.94  9179.00 59364.25  9618.46  363.782   31.382  360.737   33.211 3.044800 45.69273 
1 1 1   80    2    3 o  221.865   15.822 20621.71  2831.66 21846.26  3839.84 19161.90  4192.49  225.682   21.203  208.971   25.218 16.71181 32.94755 
1 1 1   80    2    4 o   65.903   15.412  1879.67  810.016  1927.41  1028.53  1801.70  1314.42   66.604   18.406   65.717   21.438 0.8865509 28.25541 
1 1 1   80    2    5 o  286.050   17.214 34466.39  3979.45 33461.62  5448.27 35615.42  5826.31  276.801   24.494  284.833   25.461 -8.032471 35.32983 
1 1 1   80    2    6 o  218.867   20.446 20577.09  3591.38 20577.09  3591.38   0.0000   0.0000  218.867   20.446  ?   ?  0.000000 20.44566 
1 1 1   80    2    7 o  229.787   14.300 22074.76  2654.91 19285.34  3510.09 25804.03  4058.56  211.385   20.717  244.824   20.608 -33.43933 29.22127 
1 1 1   80    2    8 o   87.797   13.672  3279.32  942.923  3643.19  1257.09  2811.24  1425.78   91.439   17.570   79.355   21.565 12.08404 27.81620 
1 1 1   80    2    9 o  146.564   12.585  8987.65  1483.10  8692.06  2049.63  9312.52  2148.73  141.868   18.214  146.808   18.432 -4.939972 25.91294 
1 1 1   80    2   10 o  234.545   14.230 23156.87  2697.25 22078.97  3801.40 24249.73  3827.71  224.303   21.121  235.896   20.178 -11.59308 29.21043 
1 1 1   80    2   11 o   79.705   15.839  2783.55  988.924  1943.82  1363.33  3716.04  1436.65   66.713   21.837   90.780   20.028 -24.06667 29.63027 
1 1 1   80    2   12 o   63.295   17.666  1791.23  942.514  1692.29  1310.39  1897.28  1356.64   62.760   21.425   65.626   21.798 -2.865631 30.56429 
1 1 1   80    2   13 o   59.473   18.333  1580.59  973.072  1655.87  1418.35  1513.65  1337.47   62.298   22.219   60.118   21.562 2.180141 30.96069 
1 1 1   80    2   14 o   75.679   20.219  2709.37  1266.07  1880.30  1757.17  3604.46  1825.79   65.577   24.516   84.890   24.881 -19.31317 34.92955 
1 1 1   80    4    0 o   89.008   9.4856  3283.91  674.981  3283.91  674.981   0.0000   0.0000   89.008   9.4856  ?   ?  0.000000 9.485616 
1 1 1   80    4    1 o  238.582   22.733 24594.51  4350.66 24594.51  4350.66   0.0000   0.0000  238.582   22.733  ?   ?  0.000000 22.73336 
1 1 1   80    4    2 o  191.625   19.364 15657.79  2971.56 15657.79  2971.56   0.0000   0.0000  191.625   19.364  ?   ?  0.000000 19.36392 
1 1 1   80    4    3 o   93.145   16.213  3720.86  1181.65  3720.86  1181.65   0.0000   0.0000   93.145   16.213  ?   ?  0.000000 16.21302 
1 1 1   80    4    4 o  107.564   12.946  4851.72  1107.96  4892.63  1335.70  4761.50  1983.74  107.205   15.820  103.031   24.136 4.174263 28.85829 
1 1 1   80    4    5 o  116.615   12.985  5696.24  1208.67  6133.43  1493.57  4866.65  2057.42  120.256   15.668  103.874   24.746 16.38181 29.28960 
1 1 1   80    4    6 o  103.701   13.070  4523.60  1076.08  4643.79  1335.60  4301.23  1816.69  104.117   16.336   97.910   23.206 6.206688 28.37933 
1 1 1   80    4    7 o  154.079   12.705  9904.42  1575.25  9477.00  2002.28 10598.68  2551.85  149.203   16.821  156.153   20.632 -6.950058 26.61979 
1 1 1   80    4    8 o  247.380   13.704 25573.56  2741.88 22109.80  3722.72 29680.36  4053.57  226.001   20.510  263.116   19.104 -37.11409 28.02900 
1 1 1   80    4    9 o  168.258   12.669 11838.01  1718.14  9370.82  2294.61 14986.48  2592.13  146.508   19.796  187.221   17.245 -40.71346 26.25412 
1 1 1   80    4   10 o  127.406   12.964  6841.73  1322.41  5832.10  1762.61  8141.84  2000.17  114.854   19.604  136.673   18.499 -21.81966 26.95441 
1 1 1   80    4   11 o   76.636   22.135  2684.72  1454.55 15839.07  7949.81  2229.10  1479.53  151.691   52.727   70.664   22.719 81.02619 57.41330 
1 1 1   80    4   12 o  130.621   13.445  7273.86  1405.57  7670.41  1942.17  6837.73  2036.76  131.367   18.739  122.445   21.257 8.922485 28.33769 
1 1 1   80    4   13 o   74.049   17.192  2484.18  1013.79  3323.02  1401.10  1562.42  1468.72   84.315   20.634   61.372   22.510 22.94331 30.53628 
1 1 1   80    4   14 o   32.233   14.586 -342.3379  818.778 -627.1494  1020.47  172.361  1371.83   34.198   15.777   46.157   19.958 -11.95894 25.44069 
1 1 1   80    6    0 o   95.610   29.908  4142.47  2579.11   0.0000   0.0000  4142.47  2579.11  ?   ?    95.610   29.908 0.000000 29.90849 
1 1 1   80    6    1 o  124.783   28.930  7160.33  2874.08   0.0000   0.0000  7160.33  2874.08  ?   ?   124.783   28.930 0.000000 28.92984 
1 1 1   80    6    2 o  197.656   26.606 17375.56  4161.56   0.0000   0.0000 17375.56  4161.56  ?   ?   197.656   26.606 0.000000 26.60614 
1 1 1   80    6    3 o  178.995   26.216 14266.88  3697.22   0.0000   0.0000 14266.88  3697.22  ?   ?   178.995   26.216 0.000000 26.21585 
1 1 1   80    6    4 o   62.988   14.230  1712.45  710.638  1410.70  781.072  3162.82  1712.39   57.251   16.119   84.179   23.925 -26.92764 28.84779 
1 1 1   80    6    5 o  251.229   15.516 26477.26  3149.66 23413.22  4075.30 31022.34  4963.45  232.548   21.839  266.941   23.128 -34.39348 31.80956 
1 1 1   80    6    6 o  190.869   13.782 15226.07  2121.61 14432.58  2703.66 16497.80  3422.78  183.788   18.363  194.552   22.057 -10.76448 28.70062 
1 1 1   80    6    7 o   56.094   15.376  1361.18  721.190  873.159  819.791  3031.71  1516.74   48.048   16.918   82.241   22.198 -34.19269 27.90956 
1 1 1   80    6    8 o  193.755   13.490 15718.66  2109.11 14373.31  2659.08 18000.79  3463.26  183.013   18.133  202.983   21.332 -19.97017 27.99746 
1 1 1   80    6    9 o  218.062   13.298 19920.14  2343.25 17412.38  3078.52 23374.21  3612.99  200.530   19.139  232.420   19.320 -31.88988 27.19529 
1 1 1   80    6   10 o  110.488   12.909  5165.99  1136.23  4605.99  1409.94  6203.38  1919.00  102.508   17.572  117.755   20.833 -15.24619 27.25393 
1 1 1   80    6   11 o  107.538   13.130  4923.18  1122.70  4237.77  1375.01  6294.04  1944.60   97.724   17.992  117.950   21.078 -20.22645 27.71259 
1 1 1   80    6   12 o  112.547   22.200  5882.96  1956.69  6314.74  9799.48  5865.03  1996.91  106.570   49.067  112.042   22.727 -5.472626 54.07519 
1 1 1   80    6   13 o  133.061   12.565  7562.70  1341.44  5043.61  1693.13 11810.20  2198.54  104.011   20.775  163.566   16.792 -59.55564 26.71311 
1 1 1   80    8    0 o  288.556   32.904 38606.66  7571.54   0.0000   0.0000 38606.66  7571.54  ?   ?   288.556   32.904 0.000000 32.90424 
1 1 1   80    8    1 f  202.887   29.483 18737.94  4714.84   0.0000   0.0000 18737.94  4714.84  ?   ?   202.887   29.483 0.000000 29.48327 
1 1 1   80    8    2 o  214.723   28.267 20788.65  4808.44   0.0000   0.0000 20788.65  4808.44  ?   ?   214.723   28.267 0.000000 28.26660 
1 1 1   80    8    3 o   50.373   21.576   84.421  1574.67   0.0000   0.0000   84.421  1574.67  ?   ?    50.373   21.576 0.000000 21.57610 
1 1 1   80    8    4 f  330.737   32.755 50736.59  8680.69   0.0000   0.0000 50736.59  8680.69  ?   ?   330.737   32.755 0.000000 32.75521 
1 1 1   80    8    5 o  360.021   34.403 61081.11  9934.38   0.0000   0.0000 61081.11  9934.38  ?   ?   360.021   34.403 0.000000 34.40281 
1 1 1   80    8    6 o   70.399   24.203  2058.87  1672.88   0.0000   0.0000  2058.87  1672.88  ?   ?    70.399   24.203 0.000000 24.20322 
1 1 1   80    8    7 f   57.495   12.656  1424.64  574.799  1269.90  609.163  2681.25  1735.93   54.157   13.810   77.737   24.569 -23.58017 28.18436 
1 1 1   80    8    8 o  108.421   11.536  4923.11  999.948  5039.66  1141.71  4539.26  2071.95  109.228   13.137   98.952   25.595 10.27575 28.76952 
1 1 1   80    8    9 o  200.738   11.996 16818.49  1946.38 13412.53  2439.24 22788.06  3229.28  176.608   17.229  230.462   17.385 -53.85414 24.47644 
1 1 1   80    8   10 o  148.159   12.349  9229.79  1472.02  8053.25  1750.02 12075.88  2721.86  136.700   16.074  164.791   20.806 -28.09105 26.29135 
1 1 1   80    8   11 o   33.461   13.710  192.892  594.008 -317.4616  642.224  3213.98  1562.55   28.528   12.913   82.961   22.588 -54.43246 26.01885 
1 1 1   80    8   12 o  114.896   12.396  5625.96  1138.15  4354.01  1329.77  9110.09  2200.85   98.762   17.208  142.047   19.604 -43.28560 26.08522 
1 1 1   80    8   13 o  145.654   12.525  9076.65  1466.86  8047.86  1820.14 10982.90  2477.61  134.219   17.089  154.377   20.254 -20.15863 26.50052 
1 1 1   80   10    0 o  200.004   32.086 18743.11  5034.45   0.0000   0.0000 18743.11  5034.45  ?   ?   200.004   32.086 0.000000 32.08569 
1 1 1   80   10    1 o  167.644   30.390 13062.59  3984.41   0.0000   0.0000 13062.59  3984.41  ?   ?   167.644   30.390 0.000000 30.39016 
1 1 1   80   10    2 o   44.853   20.523 -958.1839  1678.14   0.0000   0.0000 -958.1839  1678.14  ?   ?    44.853   20.523 0.000000 20.52293 
1 1 1   80   10    3 o   87.803   29.923  3407.37  2555.97   0.0000   0.0000  3407.37  2555.97  ?   ?    87.803   29.923 0.000000 29.92294 
1 1 1   80   10    4 o  105.062   28.935  5165.27  2546.81   0.0000   0.0000  5165.27  2546.81  ?   ?   105.062   28.935 0.000000 28.93461 
1 1 1   80   10    5 o  212.972   28.244 20721.47  4763.67   0.0000   0.0000 20721.47  4763.67  ?   ?   212.972   28.244 0.000000 28.24420 
1 1 1   80   10    6 o  232.175   28.107 24674.17  5190.84   0.0000   0.0000 24674.17  5190.84  ?   ?   232.175   28.107 0.000000 28.10747 
1 1 1   80   10    7 o  217.838   24.410 21259.51  4243.35 17493.91 10538.55 21988.15  4635.75  156.207   59.667  219.786   26.512 -63.57913 65.29211 
1 1 1   80   10    8 o   88.725   8.6599  3266.32  615.921  2498.48  648.950 10238.74  1955.55   77.019   10.663  154.860   15.772 -77.84077 19.03868 
1 1 1   80   10    9 o   33.449   9.7506  471.410  281.080  463.537  286.084  690.580  1509.37   33.249   9.8768   53.874   21.938 -20.62487 24.05899 
1 1 1   80   10   10 o   83.134   10.138  2905.89  670.146  2412.52  719.167  6159.30  1846.76   75.040   12.224  117.005   20.167 -41.96584 23.58234 
1 1 1   80   10   11 o   89.336   10.689  3372.57  759.993  3061.50  814.645  5460.37  2110.49   84.551   12.221  106.567   24.848 -22.01616 27.69063 
1 1 1   80   10   12 o   46.053   13.054  927.712  510.519  973.248  532.744  415.864  1786.12   47.114   13.328   53.515   22.952 -6.400642 26.54141 
1 1 1   80   10   13 o   79.517   26.037  3223.89  1938.16 -5406.9712 12826.85  3425.55  1960.67   84.054   42.242   81.693   26.142 2.360710 49.67712 
1 1 1   80   12    0 o   64.803   27.715  467.963  2591.02   0.0000   0.0000  467.963  2591.02  ?   ?    64.803   27.715 0.000000 27.71472 
1 1 1   80   12    1 o   70.476   28.151  1500.66  2432.76   0.0000   0.0000  1500.66  2432.76  ?   ?    70.476   28.151 0.000000 28.15120 
1 1 1   80   12    2 o   90.568   31.988  3655.33  2932.92   0.0000   0.0000  3655.33  2932.92  ?   ?    90.568   31.988 0.000000 31.98765 
1 1 1   80   12    3 o  131.887   31.381  8342.81  3311.82   0.0000   0.0000  8342.81  3311.82  ?   ?   131.887   31.381 0.000000 31.38111 
1 1 1   80   12    4 f  109.112   30.854  5713.73  2855.40   0.0000   0.0000  5713.73  2855.40  ?   ?   109.112   30.854 0.000000 30.85359 
1 1 1   80   12    5 o  133.343   29.870  8463.54  3153.76   0.0000   0.0000  8463.54  3153.76  ?   ?   133.343   29.870 0.000000 29.87022 
1 1 1   80   12    6 f   97.248   28.963  4491.36  2457.67   0.0000   0.0000  4491.36  2457.67  ?   ?    97.248   28.963 0.000000 28.96266 
1 1 1   80   12    7 o   53.538   22.878  248.748  1762.86   0.0000   0.0000  248.748  1762.86  ?   ?    53.538   22.878 0.000000 22.87774 
1 1 1   80   12    8 o  114.016   27.719  6243.25  2541.25  6023.54  9296.69  6260.99  2641.87  112.134   50.072  113.630   28.643 -1.496445 57.68546 
1 1 1   80   12    9 o   69.645   26.604  1895.06  2095.22 -2965.7529  8988.18  2174.37  2154.57   88.990   42.748   72.497   27.138 16.49340 50.63417 
1 1 1   80   12   10 o  199.264   26.042 18862.07  4112.67 19033.33 12266.05 18840.38  4365.36  134.919   58.990  196.912   28.100 -61.99359 65.34064 
1 1 1   80   12   11 o   66.154   24.500  1874.80  1746.77 -20183.0293 10417.78  2512.87  1771.85   70.187   35.599   73.090   24.914 -2.902687 43.45089 
1 1 1   80   12   12 o  127.333   28.768  8490.14  2904.20  437.465 12475.44  8951.54  2986.25   90.518   44.879  130.735   28.900 -40.21749 53.37894 
1 1 1   80   14    0 o  118.570   36.873  7227.00  3926.65   0.0000   0.0000  7227.00  3926.65  ?   ?   118.570   36.873 0.000000 36.87320 
1 1 1   80   14    1 o  175.885   34.733 15300.38  4784.27   0.0000   0.0000 15300.38  4784.27  ?   ?   175.885   34.733 0.000000 34.73266 
1 1 1   80   14    2 o  182.513   33.318 16220.82  4755.57   0.0000   0.0000 16220.82  4755.57  ?   ?   182.513   33.318 0.000000 33.31778 
1 1 1   80   14    3 o   52.391   23.695 -760.8703  2157.11   0.0000   0.0000 -760.8703  2157.11  ?   ?    52.391   23.695 0.000000 23.69476 
1 1 1   80   14    4 o   84.518   30.588  3138.34  2698.88   0.0000   0.0000  3138.34  2698.88  ?   ?    84.518   30.588 0.000000 30.58793 
1 1 1   80   14    5 o   52.572   23.513 -474.2420  2058.71   0.0000   0.0000 -474.2420  2058.71  ?   ?    52.572   23.513 0.000000 23.51274 
1 1 1   80   14    6 o  114.450   31.456  6514.81  3013.64   0.0000   0.0000  6514.81  3013.64  ?   ?   114.450   31.456 0.000000 31.45632 
1 1 1   80   14    7 o   98.586   30.411  4802.67  2677.08   0.0000   0.0000  4802.67  2677.08  ?   ?    98.586   30.411 0.000000 30.41115 
1 1 1   80   14    8 o  220.731   27.564 23193.81  4832.55 23649.41 13064.83 23121.59  5201.46  150.232   63.150  217.200   30.320 -66.96843 70.05150 
1 1 1   80   14    9 o  119.852   29.805  7297.95  2888.39 25423.38 11233.65  6014.85  2988.87  159.777   61.467  106.988   31.957 52.78976 69.27836 
1 1 1   80   14   10 o  147.550   28.580 10969.38  3300.34  6486.83 12430.81 11309.31  3423.19  103.298   49.785  149.116   29.318 -45.81791 57.77614 
1 1 1   80   14   11 o  142.265   31.792 11010.66  3579.99 10945.11 13261.33 11015.81  3718.03  103.707   50.327  140.638   33.108 -36.93121 60.24100 
1 1 1   80   16    0 o  205.835   39.988 22599.60  6442.46   0.0000   0.0000 22599.60  6442.46  ?   ?   205.835   39.988 0.000000 39.98836 
1 1 1   80   16    1 o   94.664   34.913  4266.54  3539.88   0.0000   0.0000  4266.54  3539.88  ?   ?    94.664   34.913 0.000000 34.91266 
1 1 1   80   16    2 o   64.092   27.992  243.407  2755.15   0.0000   0.0000  243.407  2755.15  ?   ?    64.092   27.992 0.000000 27.99180 
1 1 1   80   16    3 o  177.082   35.359 15980.64  4906.14   0.0000   0.0000 15980.64  4906.14  ?   ?   177.082   35.359 0.000000 35.35947 
1 1 1   80   16    4 o   50.119   23.257 -1411.8020  2265.39   0.0000   0.0000 -1411.8020  2265.39  ?   ?    50.119   23.257 0.000000 23.25723 
1 1 1   80   16    5 f  172.617   34.209 15181.11  4625.29   0.0000   0.0000 15181.11  4625.29  ?   ?   172.617   34.209 0.000000 34.20949 
1 1 1   80   16    6 o  164.795   33.458 13886.37  4324.06   0.0000   0.0000 13886.37  4324.06  ?   ?   164.795   33.458 0.000000 33.45783 
1 1 1   80   16    7 o  101.379   32.310  5350.33  2997.39   0.0000   0.0000  5350.33  2997.39  ?   ?   101.379   32.310 0.000000 32.31044 
1 1 1   80   16    8 o   53.292   23.639 -108.3649  2037.14 -11305.0400 11151.14  278.209  2072.00   81.433   40.702   56.099   24.392 25.33466 47.45069 
1 1 1   80   16    9 o   85.701   30.564  3784.02  2683.87   0.0000   0.0000  3784.02  2683.87  ?   ?    85.701   30.564 0.000000 30.56388 
1 1 1   80   16   10 o  145.806   33.788 12007.68  3921.86  3053.38 14310.69 12734.79  4077.99   94.122   46.896  149.670   34.292 -55.54819 58.09636 
1 1 1   80   16   11 o   72.318   29.643  2413.37  2778.55  1138.23 13961.47  2465.96  2835.27   87.419   43.952   72.833   29.909 14.58622 53.16351 
1 1 1   80   18    0 o  286.937   46.097 48765.25 10376.29   0.0000   0.0000 48765.25 10376.29  ?   ?   286.937   46.097 0.000000 46.09735 
1 1 1   80   18    1 o  309.934   44.950 55888.98 10981.90   0.0000   0.0000 55888.98 10981.90  ?   ?   309.934   44.950 0.000000 44.95011 
1 1 1   80   18    2 o   85.078   33.671  3141.44  3450.55   0.0000   0.0000  3141.44  3450.55  ?   ?    85.078   33.671 0.000000 33.67083 
1 1 1   80   18    3 o   99.896   35.726  5246.80  3669.53   0.0000   0.0000  5246.80  3669.53  ?   ?    99.896   35.726 0.000000 35.72628 
1 1 1   80   18    4 o   71.709   30.272  1408.58  3022.89   0.0000   0.0000  1408.58  3022.89  ?   ?    71.709   30.272 0.000000 30.27154 
1 1 1   80   18    5 o  109.458   36.142  6662.76  3731.71   0.0000   0.0000  6662.76  3731.71  ?   ?   109.458   36.142 0.000000 36.14216 
1 1 1   80   18    6 o  214.513   37.021 25263.88  6215.16   0.0000   0.0000 25263.88  6215.16  ?   ?   214.513   37.021 0.000000 37.02075 
1 1 1   80   18    7 o   52.004   23.969 -943.1951  2346.61   0.0000   0.0000 -943.1951  2346.61  ?   ?    52.004   23.969 0.000000 23.96867 
1 1 1   80   18    8 o   84.830   31.637  3784.67  2922.95  4895.14 13775.14  3732.31  2991.06   97.640   48.179   84.434   31.898 13.20599 57.78117 
1 1 1   80   18    9 o   90.010   31.892  4605.48  2917.69 -18795.7109 14526.82  5589.17  2978.38   77.456   39.542   98.257   32.281 -20.80061 51.04522 
1 1 1   80   18   10 o  125.802   37.043 10364.50  4038.76 23420.30 16340.13  9514.99  4168.09  103.274   51.230  117.647   38.165 -14.37347 63.88369 
1 1 1   80   20    0 o  103.806   41.139  6550.40  5157.40   0.0000   0.0000  6550.40  5157.40  ?   ?   103.806   41.139 0.000000 41.13871 
1 1 1   80   20    1 o  128.877   43.046 10788.51  5288.44   0.0000   0.0000 10788.51  5288.44  ?   ?   128.877   43.046 0.000000 43.04605 
1 1 1   80   20    2 o  181.546   43.131 20219.14  6263.87   0.0000   0.0000 20219.14  6263.87  ?   ?   181.546   43.131 0.000000 43.13138 
1 1 1   80   20    3 o  139.719   41.242 12135.25  5000.68   0.0000   0.0000 12135.25  5000.68  ?   ?   139.719   41.242 0.000000 41.24154 
1 1 1   80   20    4 o  190.388   41.777 22003.30  6280.85   0.0000   0.0000 22003.30  6280.85  ?   ?   190.388   41.777 0.000000 41.77671 
1 1 1   80   20    5 o  161.540   41.199 16271.48  5420.76   0.0000   0.0000 16271.48  5420.76  ?   ?   161.540   41.199 0.000000 41.19852 
1 1 1   80   20    6 o  153.454   40.542 14948.57  5127.26   0.0000   0.0000 14948.57  5127.26  ?   ?   153.454   40.542 0.000000 40.54248 
1 1 1   80   20    7 f   62.009   27.795  368.640  2893.70   0.0000   0.0000  368.640  2893.70  ?   ?    62.009   27.795 0.000000 27.79476 
1 1 1   80   20    8 o   47.375   22.626 -1982.3051  2439.51   0.0000   0.0000 -1982.3051  2439.51  ?   ?    47.375   22.626 0.000000 22.62585 
1 1 1   80   22    0 o   92.446   40.067  5219.74  5555.29   0.0000   0.0000  5219.74  5555.29  ?   ?    92.446   40.067 0.000000 40.06685 
1 1 1   80   22    1 o  109.882   42.898  8945.68  5534.23   0.0000   0.0000  8945.68  5534.23  ?   ?   109.882   42.898 0.000000 42.89806 
1 1 1   80   22    2 o  100.991   39.886  6888.83  4832.61   0.0000   0.0000  6888.83  4832.61  ?   ?   100.991   39.886 0.000000 39.88582 
1 1 1   80   22    3 o   60.055   28.211 -1260.8149  3503.62   0.0000   0.0000 -1260.8149  3503.62  ?   ?    60.055   28.211 0.000000 28.21054 
1 1 1   80   22    4 o  106.873   40.252  8158.59  4754.09   0.0000   0.0000  8158.59  4754.09  ?   ?   106.873   40.252 0.000000 40.25157 
1 1 1   80   22    5 f   93.123   37.441  5778.53  4334.01   0.0000   0.0000  5778.53  4334.01  ?   ?    93.123   37.441 0.000000 37.44064 
1 1 1   80   22    6 o   93.250   37.249  6054.34  4259.47   0.0000   0.0000  6054.34  4259.47  ?   ?    93.250   37.249 0.000000 37.24925 
1 1 1   80   22    7 o  116.578   38.649  9954.19  4265.77   0.0000   0.0000  9954.19  4265.77  ?   ?   116.578   38.649 0.000000 38.64909 
1 1 1   80   24    0 o   71.044   33.987   25.301  5554.00   0.0000   0.0000   25.301  5554.00  ?   ?    71.044   33.987 0.000000 33.98732 
1 1 1   80   24    1 o   77.184   35.690  2560.34  5266.22   0.0000   0.0000  2560.34  5266.22  ?   ?    77.184   35.690 0.000000 35.69023 
1 1 1   80   24    2 o   65.705   31.033 -247.6008  4344.02   0.0000   0.0000 -247.6008  4344.02  ?   ?    65.705   31.033 0.000000 31.03277 
1 1 1   80   24    3 o   74.178   32.802  2643.25  3892.70   0.0000   0.0000  2643.25  3892.70  ?   ?    74.178   32.802 0.000000 32.80178 
1 1 1   80   24    4 o  106.065   42.572 10584.11  5593.11   0.0000   0.0000 10584.11  5593.11  ?   ?   106.065   42.572 0.000000 42.57201 
1 1 1   80   24    5 f   70.427   32.393  1898.91  4256.15   0.0000   0.0000  1898.91  4256.15  ?   ?    70.427   32.393 0.000000 32.39316 
1 1 1   80   26    0 o   60.961   29.820 -1542.0930  4923.14   0.0000   0.0000 -1542.0930  4923.14  ?   ?    60.961   29.820 0.000000 29.81984 
1 1 1   80   26    1 o   57.560   28.042 -1835.1400  4227.15   0.0000   0.0000 -1835.1400  4227.15  ?   ?    57.560   28.042 0.000000 28.04169 
1 1 1   80   26    2 o   91.647   39.949  9231.23  5587.51   0.0000   0.0000  9231.23  5587.51  ?   ?    91.647   39.949 0.000000 39.94881 
1 1 1   81    1    0 o  374.298   23.656 60659.89  7152.42 71806.38 10062.60 49277.93 10168.32  398.188   31.377  319.493   40.079 78.69504 50.90028 
1 1 1   81    1    1 o  216.992   17.038 19845.17  2977.75 19604.71  4098.01 20114.16  4334.27  211.778   24.270  213.789   25.470 -2.010864 35.18147 
1 1 1   81    1    2 f  165.829   15.370 11549.76  2046.04 10249.20  2812.01 13012.89  2982.59  152.828   23.406  173.400   21.656 -20.57253 31.88788 
1 1 1   81    1    3 f  442.751   25.073 85493.02  8976.77 81595.05 12575.06 89543.42 12818.60  415.008   37.730  436.844   36.473 -21.83618 52.47660 
1 1 1   81    1    4 f   62.776   17.038  1709.10  890.666  1541.27  1168.66  1941.68  1375.70   61.210   20.226   67.810   21.919 -6.599976 29.82517 
1 1 1   81    1    5 o  389.735   22.064 65458.43  6953.52 65220.38  9717.51 65708.23  9954.28  377.266   32.025  377.661   32.787 -0.3949280 45.83223 
1 1 1   81    1    6 o  186.798   13.859 14582.86  2087.12 13980.57  2859.02 15270.04  3053.88  180.210   19.869  188.184   20.308 -7.974655 28.41132 
1 1 1   81    1    7 o  136.439   18.104  8005.89  1956.06  8005.89  1956.06   0.0000   0.0000  136.439   18.104  ?   ?  0.000000 18.10353 
1 1 1   81    1    8 o  134.885   11.952  7593.15  1295.48  6319.11  1781.35  9023.47  1887.44  120.518   18.819  145.552   16.248 -25.03463 24.86230 
1 1 1   81    1    9 o  136.886   18.113  8112.23  1963.80 13033.55  7494.05  7749.37  2034.91  146.100   51.170  133.158   19.390 12.94217 54.72058 
1 1 1   81    1   10 o  185.193   13.076 14402.38  1953.55 14441.75  2755.59 14362.60  2769.93  182.235   18.897  181.626   19.067 0.6092987 26.84517 
1 1 1   81    1   11 o   61.561   16.925  1678.64  872.258  2157.19  1209.50  1160.01  1259.11   69.232   20.239   55.972   20.786 13.25978 29.01200 
1 1 1   81    1   12 o  106.293   15.015  4903.39  1259.85  5337.60  1757.50  4444.41  1806.92  108.028   20.791   97.080   23.233 10.94787 31.17756 
1 1 1   81    1   13 o   32.772   15.042 -542.2955  911.163 -937.3528  1211.20 -27.2410  1382.97   36.027   16.814   45.151   19.773 -9.123711 25.95510 
1 1 1   81    1   14 o   39.668   16.620  249.890  900.132 -114.7826  1208.74  703.885  1348.68   41.371   18.287   50.514   20.673 -9.142807 27.60040 
1 1 1   81    3    0 o   53.215   8.5292  1187.60  356.088  1218.62  363.625  462.609  1758.07   53.907   8.5962   56.027   23.330 -2.119659 24.86293 
1 1 1   81    3    1 o   54.162   17.600  1202.27  886.250  896.926  1106.64  1748.30  1479.87   51.979   19.451   66.006   22.760 -14.02704 29.93922 
1 1 1   81    3    2 o  145.655   14.911  8916.35  1738.61  9538.80  2219.52  7927.89  2796.97  149.298   18.721  132.396   26.935 16.90176 32.80159 
1 1 1   81    3    3 o   87.434   14.944  3265.99  1022.84  3816.03  1260.84  2207.25  1749.27   94.031   17.146   72.931   24.755 21.10068 30.11289 
1 1 1   81    3    4 o   79.908   17.924  2789.90  1134.33  2789.90  1134.33   0.0000   0.0000   79.908   17.924  ?   ?  0.000000 17.92430 
1 1 1   81    3    5 o   63.932   15.373  1773.36  788.212  1350.58  939.577  2777.74  1448.16   56.855   18.087   79.135   21.829 -22.28020 28.34823 
1 1 1   81    3    6 o  119.525   12.760  5983.70  1219.22  4922.95  1544.36  7738.52  1986.37  106.446   18.542  133.943   18.781 -27.49696 26.39167 
1 1 1   81    3    7 o   52.123   16.455  1135.39  778.841  1571.32  945.890  217.598  1372.48   60.374   17.965   48.331   20.400 12.04294 27.18255 
1 1 1   81    3    8 o  134.836   12.670  7615.67  1370.86  6781.28  1798.78  8771.76  2117.32  125.120   18.242  142.333   18.779 -17.21336 26.18091 
1 1 1   81    3    9 o   53.815   16.693  1231.27  805.316  1839.26  1036.81  306.647  1278.60   64.694   18.689   47.483   19.844 17.21161 27.25933 
1 1 1   81    3   10 o  119.988   19.665  6372.39  1849.49  8854.34  8139.62  6237.27  1899.16  122.380   50.515  118.266   20.521 4.113457 54.52410 
1 1 1   81    3   11 o   52.181   17.477  1129.03  871.769  893.423  1127.01  1480.01  1375.54   51.331   19.535   60.714   21.857 -9.382717 29.31416 
1 1 1   81    3   12 o   73.993   17.757  2473.43  1053.26  1528.42  1465.78  3482.29  1514.49   61.420   22.494   86.395   21.637 -24.97419 31.21100 
1 1 1   81    3   13 f   91.348   16.235  3720.21  1160.04  2975.26  1702.62  4365.62  1584.80   78.374   24.265   96.601   20.818 -18.22730 31.97210 
1 1 1   81    5    0 o  128.947   9.6566  6862.49  1003.71  6793.32  1069.10  7376.67  2914.80  128.134   10.365  126.437   29.008 1.696213 30.80406 
1 1 1   81    5    1 o  183.663   10.286 13907.78  1527.76 13324.25  1669.26 16918.38  3791.57  179.406   11.520  196.214   24.320 -16.80782 26.91031 
1 1 1   81    5    2 o  145.386   8.8385  8691.86  1038.43  8634.99  1110.96  9085.21  2921.87  144.765   9.5042  142.105   26.291 2.659378 27.95633 
1 1 1   81    5    3 o   92.715   13.287  3631.12  971.657  3214.53  1105.01  5051.37  2040.30   86.295   16.369  105.978   24.237 -19.68222 29.24714 
1 1 1   81    5    4 o  111.683   12.694  5226.27  1130.64  4906.33  1353.83  5963.82  2055.57  107.181   16.050  115.906   22.654 -8.724739 27.76337 
1 1 1   81    5    5 o  144.308   13.242  8710.06  1534.31  8919.52  1893.26  8309.28  2618.87  144.950   16.373  136.279   24.571 8.671661 29.52663 
1 1 1   81    5    6 o  112.189   12.904  5286.60  1154.09  4947.57  1402.76  5996.79  2030.27  107.316   16.637  116.107   22.347 -8.790916 27.85964 
1 1 1   81    5    7 o  111.969   13.016  5275.80  1161.24  4226.14  1412.12  7468.15  2040.81   98.326   18.363  130.825   19.834 -32.49908 27.02921 
1 1 1   81    5    8 o  138.143   13.298  8022.04  1473.14  7857.08  1867.26  8293.95  2397.39  135.083   17.431  136.443   22.418 -1.359726 28.39740 
1 1 1   81    5    9 o  123.586   13.207  6445.23  1304.80  5943.76  1641.69  7305.32  2150.01  116.822   17.876  128.008   21.444 -11.18625 27.91752 
1 1 1   81    5   10 o  154.501   13.015 10057.65  1617.52  8067.25  2114.06 12868.19  2512.13  135.003   19.881  172.027   18.264 -37.02400 26.99699 
1 1 1   81    5   11 o   80.541   23.792  3029.28  1663.65 11258.50  8975.81  2736.52  1692.99  124.978   52.429   76.927   24.258 48.05119 57.76860 
1 1 1   81    5   12 o   93.484   15.054  3822.59  1103.86  3476.49  1368.22  4467.90  1868.27   86.953   19.820   96.604   23.940 -9.650749 31.07951 
1 1 1   81    5   13 o   92.677   15.439  3805.59  1120.91  4699.50  1380.63  2076.85  1919.97  102.214   17.249   68.575   25.628 33.63960 30.89222 
1 1 1   81    7    0 o  128.219   30.523  7707.50  3132.01   0.0000   0.0000  7707.50  3132.01  ?   ?   128.219   30.523 0.000000 30.52345 
1 1 1   81    7    1 o  168.962   28.411 12996.66  3759.44   0.0000   0.0000 12996.66  3759.44  ?   ?   168.962   28.411 0.000000 28.41111 
1 1 1   81    7    2 o  216.046   28.706 21143.02  4910.97   0.0000   0.0000 21143.02  4910.97  ?   ?   216.046   28.706 0.000000 28.70580 
1 1 1   81    7    3 o  244.404   28.425 26968.97  5535.57   0.0000   0.0000 26968.97  5535.57  ?   ?   244.404   28.425 0.000000 28.42527 
1 1 1   81    7    4 o  344.798   33.746 55659.11  9326.57   0.0000   0.0000 55659.11  9326.57  ?   ?   344.798   33.746 0.000000 33.74592 
1 1 1   81    7    5 o  218.697   25.877 21362.63  4505.98   0.0000   0.0000 21362.63  4505.98  ?   ?   218.697   25.877 0.000000 25.87672 
1 1 1   81    7    6 o  147.826   12.080  9109.37  1437.33  7598.29  1691.10 13041.50  2727.97  133.621   15.899  173.644   19.697 -40.02299 25.31279 
1 1 1   81    7    7 o  120.183   11.750  6037.52  1131.95  5152.75  1308.19  8673.68  2258.08  109.908   15.055  140.719   20.354 -30.81116 25.31655 
1 1 1   81    7    8 o   74.345   13.078  2367.51  760.658  2721.17  836.843  686.239  1824.64   79.738   13.401   57.916   23.912 21.82211 27.41126 
1 1 1   81    7    9 o   84.252   12.941  3028.39  856.999  2545.11  971.963  4716.46  1816.55   76.126   16.221  101.635   22.597 -25.50943 27.81641 
1 1 1   81    7   10 o   98.598   12.726  4132.37  995.080  3902.60  1158.89  4777.15  1941.37   94.735   15.610  101.143   24.000 -6.407906 28.62991 
1 1 1   81    7   11 o  116.540   12.618  5770.08  1174.98  4842.83  1396.10  8021.78  2175.56  104.788   16.990  133.103   20.812 -28.31479 26.86622 
1 1 1   81    7   12 o  127.383   12.185  6898.31  1244.95  5340.73  1529.96  9950.77  2141.80  109.139   17.884  149.539   18.001 -40.40015 25.37504 
1 1 1   81    7   13 o   85.547   14.602  3236.95  977.868  2526.78  1156.32  5019.99  1832.23   73.470   19.178  101.871   22.728 -28.40186 29.73835 
1 1 1   81    9    0 f   83.157   31.293  2720.71  2872.27   0.0000   0.0000  2720.71  2872.27  ?   ?    83.157   31.293 0.000000 31.29318 
1 1 1   81    9    1 o  109.692   30.565  5682.88  2823.75   0.0000   0.0000  5682.88  2823.75  ?   ?   109.692   30.565 0.000000 30.56480 
1 1 1   81    9    2 o  141.822   29.683  9378.76  3308.49   0.0000   0.0000  9378.76  3308.49  ?   ?   141.822   29.683 0.000000 29.68342 
1 1 1   81    9    3 o  267.821   30.745 33101.23  6564.67   0.0000   0.0000 33101.23  6564.67  ?   ?   267.821   30.745 0.000000 30.74499 
1 1 1   81    9    4 o  104.569   29.854  5146.58  2660.17   0.0000   0.0000  5146.58  2660.17  ?   ?   104.569   29.854 0.000000 29.85397 
1 1 1   81    9    5 f  138.490   26.849  8802.60  2910.13   0.0000   0.0000  8802.60  2910.13  ?   ?   138.490   26.849 0.000000 26.84866 
1 1 1   81    9    6 o  118.815   26.715  6545.90  2514.67   0.0000   0.0000  6545.90  2514.67  ?   ?   118.815   26.715 0.000000 26.71458 
1 1 1   81    9    7 o  104.326   26.524  5088.32  2251.75   0.0000   0.0000  5088.32  2251.75  ?   ?   104.326   26.524 0.000000 26.52364 
1 1 1   81    9    8 o   63.022   10.605  1685.94  523.407  1619.99  550.868  2298.35  1678.71   61.549   11.444   72.493   24.252 -10.94394 26.81679 
1 1 1   81    9    9 o  182.324   11.249 13868.19  1657.12 11562.15  2000.69 18907.06  2957.42  164.612   15.138  209.147   17.578 -44.53539 23.19805 
1 1 1   81    9   10 o   92.833   11.304  3642.28  834.507  3010.15  910.908  6943.50  2081.65   83.407   13.943  123.504   21.541 -40.09729 25.65989 
1 1 1   81    9   11 o   67.132   13.391  1969.89  704.356  1477.89  747.191  5895.64  2110.62   57.642   15.589  111.276   24.060 -53.63434 28.66924 
1 1 1   81    9   12 o   45.147   13.779  881.840  551.289  1089.09  584.276 -799.6606  1664.24   49.674   13.925   44.053   20.260 5.621269 24.58412 
1 1 1   81    9   13 o   86.731   25.827  3878.62  1954.42 -663.6623 13042.61  3982.96  1976.74   88.038   44.005   87.807   25.933 0.2311401 51.07780 
1 1 1   81   11    0 o   83.846   31.442  2857.64  2894.63   0.0000   0.0000  2857.64  2894.63  ?   ?    83.846   31.442 0.000000 31.44166 
1 1 1   81   11    1 o   37.143   17.985 -2540.1221  1669.27   0.0000   0.0000 -2540.1221  1669.27  ?   ?    37.143   17.985 0.000000 17.98457 
1 1 1   81   11    2 o   50.762   22.723 -555.6465  1927.17   0.0000   0.0000 -555.6465  1927.17  ?   ?    50.762   22.723 0.000000 22.72296 
1 1 1   81   11    3 o  108.335   30.889  5616.07  2849.77   0.0000   0.0000  5616.07  2849.77  ?   ?   108.335   30.889 0.000000 30.88927 
1 1 1   81   11    4 o   81.574   28.671  2876.78  2353.80   0.0000   0.0000  2876.78  2353.80  ?   ?    81.574   28.671 0.000000 28.67149 
1 1 1   81   11    5 o  234.937   29.583 25701.02  5518.11   0.0000   0.0000 25701.02  5518.11  ?   ?   234.937   29.583 0.000000 29.58270 
1 1 1   81   11    6 o  177.667   27.722 14637.51  3868.58   0.0000   0.0000 14637.51  3868.58  ?   ?   177.667   27.722 0.000000 27.72193 
1 1 1   81   11    7 o  254.531   30.001 30656.26  6081.26   0.0000   0.0000 30656.26  6081.26  ?   ?   254.531   30.001 0.000000 30.00115 
1 1 1   81   11    8 o   72.972   25.834  2291.39  1914.17 -3267.3279  9987.29  2503.36  1950.32   93.709   45.027   75.325   26.120 18.38400 52.05415 
1 1 1   81   11    9 o  106.440   27.057  5488.52  2343.52  3745.67 10912.62  5572.79  2399.51  106.152   49.840  107.024   27.473 -0.8721771 56.90997 
1 1 1   81   11   10 o   77.519   9.1594  2520.56  565.383  2455.83  590.460  3234.46  1960.85   76.343   9.7479   82.047   26.132 -5.703987 27.89050 
1 1 1   81   11   11 o   81.408   28.344  3276.56  2297.72  1161.17 10794.00  3376.97  2351.62   93.871   45.520   82.378   28.675 11.49220 53.79847 
1 1 1   81   11   12 o   79.712   28.281  3243.28  2295.04  1498.57 11698.63  3313.12  2340.52   90.827   44.737   80.356   28.554 10.47087 53.07266 
1 1 1   81   13    0 f  264.970   37.195 35182.13  7781.93   0.0000   0.0000 35182.13  7781.93  ?   ?   264.970   37.195 0.000000 37.19483 
1 1 1   81   13    1 o  107.896   33.929  5754.93  3314.24   0.0000   0.0000  5754.93  3314.24  ?   ?   107.896   33.929 0.000000 33.92887 
1 1 1   81   13    2 o  113.230   33.384  6352.54  3278.40   0.0000   0.0000  6352.54  3278.40  ?   ?   113.230   33.384 0.000000 33.38424 
1 1 1   81   13    3 o  150.284   32.794 11056.58  3889.30   0.0000   0.0000 11056.58  3889.30  ?   ?   150.284   32.794 0.000000 32.79425 
1 1 1   81   13    4 o   98.343   31.688  4663.14  2876.92   0.0000   0.0000  4663.14  2876.92  ?   ?    98.343   31.688 0.000000 31.68751 
1 1 1   81   13    5 o  108.805   31.635  5837.19  2962.14   0.0000   0.0000  5837.19  2962.14  ?   ?   108.805   31.635 0.000000 31.63489 
1 1 1   81   13    6 o  101.272   30.472  5022.72  2710.29   0.0000   0.0000  5022.72  2710.29  ?   ?   101.272   30.472 0.000000 30.47245 
1 1 1   81   13    7 o   87.138   29.266  3598.39  2444.62   0.0000   0.0000  3598.39  2444.62  ?   ?    87.138   29.266 0.000000 29.26600 
1 1 1   81   13    8 o  102.122   29.427  5197.18  2573.36  2704.08 11780.54  5322.10  2637.04  104.988   50.024  103.120   29.810 1.867302 58.23267 
1 1 1   81   13    9 o   59.087   24.485  873.302  1923.15  297.095 10229.84  894.413  1958.07   95.190   45.693   59.584   24.700 35.60637 51.94196 
1 1 1   81   13   10 o   48.367   21.869 -483.7032  1836.21 11648.27 10743.98 -848.7275  1863.63  113.554   51.947   46.691   21.461 66.86304 56.20542 
1 1 1   81   13   11 o  152.711   30.522 12355.64  3652.22 13432.57 13563.08 12271.44  3792.30  107.168   51.739  150.296   32.054 -43.12749 60.86368 
1 1 1   81   15    0 o  135.303   41.452 10261.16  4983.50   0.0000   0.0000 10261.16  4983.50  ?   ?   135.303   41.452 0.000000 41.45193 
1 1 1   81   15    1 o  151.290   37.296 12001.51  4552.33   0.0000   0.0000 12001.51  4552.33  ?   ?   151.290   37.296 0.000000 37.29561 
1 1 1   81   15    2 o  124.936   35.728  8118.46  3806.79   0.0000   0.0000  8118.46  3806.79  ?   ?   124.936   35.728 0.000000 35.72842 
1 1 1   81   15    3 o  144.665   35.338 10774.27  4115.26   0.0000   0.0000 10774.27  4115.26  ?   ?   144.665   35.338 0.000000 35.33770 
1 1 1   81   15    4 o  123.291   34.619  7865.12  3607.95   0.0000   0.0000  7865.12  3607.95  ?   ?   123.291   34.619 0.000000 34.61851 
1 1 1   81   15    5 o   98.704   32.941  4888.10  3096.99   0.0000   0.0000  4888.10  3096.99  ?   ?    98.704   32.941 0.000000 32.94136 
1 1 1   81   15    6 o   67.912   27.846  1366.22  2452.86   0.0000   0.0000  1366.22  2452.86  ?   ?    67.912   27.846 0.000000 27.84607 
1 1 1   81   15    7 o   68.855   27.727  1623.73  2381.01   0.0000   0.0000  1623.73  2381.01  ?   ?    68.855   27.727 0.000000 27.72731 
1 1 1   81   15    8 o  168.691   30.035 14305.89  3963.14 11667.17 13279.28 14563.90  4152.38  115.177   54.356  168.659   31.479 -53.48203 62.81292 
1 1 1   81   15    9 o  215.130   30.452 23735.01  5170.77 27371.74 15232.35 23261.36  5497.19  132.312   61.012  208.480   33.618 -76.16753 69.66095 
1 1 1   81   15   10 o   85.557   31.398  3926.99  2857.99 18100.93 13043.69  3212.20  2929.16  114.566   54.007   80.084   31.225 34.48183 62.38389 
1 1 1   81   15   11 o   58.200   26.078  234.841  2544.93 -7329.8960 13581.82  510.107  2590.82   81.361   41.198   60.004   26.636 21.35644 49.05893 
1 1 1   81   17    0 o   58.732   27.480 -1913.2010  3268.92   0.0000   0.0000 -1913.2010  3268.92  ?   ?    58.732   27.480 0.000000 27.48007 
1 1 1   81   17    1 o  108.004   37.923  6351.22  4117.28   0.0000   0.0000  6351.22  4117.28  ?   ?   108.004   37.923 0.000000 37.92251 
1 1 1   81   17    2 o   75.625   31.484  1784.01  3200.94   0.0000   0.0000  1784.01  3200.94  ?   ?    75.625   31.484 0.000000 31.48400 
1 1 1   81   17    3 o  206.458   37.708 22759.67  6088.39   0.0000   0.0000 22759.67  6088.39  ?   ?   206.458   37.708 0.000000 37.70844 
1 1 1   81   17    4 o   41.712   20.303 -3310.7649  2201.95   0.0000   0.0000 -3310.7649  2201.95  ?   ?    41.712   20.303 0.000000 20.30298 
1 1 1   81   17    5 o  111.775   35.835  6874.30  3682.75   0.0000   0.0000  6874.30  3682.75  ?   ?   111.775   35.835 0.000000 35.83457 
1 1 1   81   17    6 o  210.961   35.857 23914.58  5922.29   0.0000   0.0000 23914.58  5922.29  ?   ?   210.961   35.857 0.000000 35.85723 
1 1 1   81   17    7 o  167.087   34.997 15251.13  4595.95   0.0000   0.0000 15251.13  4595.95  ?   ?   167.087   34.997 0.000000 34.99739 
1 1 1   81   17    8 o   84.545   31.477  3705.42  2890.97 16147.04 13658.91  3121.92  2957.99  113.558   54.041   80.208   31.349 33.35014 62.47498 
1 1 1   81   17    9 o   60.272   26.246  690.776  2406.41  4085.11 13886.38  585.687  2443.38   93.792   46.644   59.953   26.267 33.83911 53.53175 
1 1 1   81   17   10 o   97.322   34.539  5982.73  3423.31 -5702.4761 17625.97  6440.79  3489.76   84.995   43.404  100.498   34.934 -15.50294 55.71611 
1 1 1   81   19    0 o  137.032   44.791 12411.87  5736.88   0.0000   0.0000 12411.87  5736.88  ?   ?   137.032   44.791 0.000000 44.79146 
1 1 1   81   19    1 o  151.705   43.538 14451.70  5643.39   0.0000   0.0000 14451.70  5643.39  ?   ?   151.705   43.538 0.000000 43.53763 
1 1 1   81   19    2 o  157.977   41.836 15093.07  5451.37   0.0000   0.0000 15093.07  5451.37  ?   ?   157.977   41.836 0.000000 41.83624 
1 1 1   81   19    3 o   97.266   36.624  5219.37  3935.20   0.0000   0.0000  5219.37  3935.20  ?   ?    97.266   36.624 0.000000 36.62351 
1 1 1   81   19    4 o  142.201   40.143 12253.88  4837.80   0.0000   0.0000 12253.88  4837.80  ?   ?   142.201   40.143 0.000000 40.14265 
1 1 1   81   19    5 o  151.988   40.170 14082.45  5032.34   0.0000   0.0000 14082.45  5032.34  ?   ?   151.988   40.170 0.000000 40.17048 
1 1 1   81   19    6 o  128.661   38.815 10324.57  4393.27   0.0000   0.0000 10324.57  4393.27  ?   ?   128.661   38.815 0.000000 38.81525 
1 1 1   81   19    7 o   62.048   27.624  440.953  2806.65   0.0000   0.0000  440.953  2806.65  ?   ?    62.048   27.624 0.000000 27.62374 
1 1 1   81   19    8 o   86.707   33.314  4393.73  3297.12   0.0000   0.0000  4393.73  3297.12  ?   ?    86.707   33.314 0.000000 33.31383 
1 1 1   81   19    9 o   76.787   31.193  3180.15  3042.25  5654.96 16935.54  3097.63  3092.56   88.124   44.768   76.314   31.276 11.81048 54.61068 
1 1 1   81   21    0 o   66.247   30.471 -234.8773  3766.41   0.0000   0.0000 -234.8773  3766.41  ?   ?    66.247   30.471 0.000000 30.47128 
1 1 1   81   21    1 o   85.189   36.764  3461.34  4637.28   0.0000   0.0000  3461.34  4637.28  ?   ?    85.189   36.764 0.000000 36.76424 
1 1 1   81   21    2 o  112.647   41.313  8728.98  4946.90   0.0000   0.0000  8728.98  4946.90  ?   ?   112.647   41.313 0.000000 41.31308 
1 1 1   81   21    3 f   87.008   36.079  4103.27  4179.54   0.0000   0.0000  4103.27  4179.54  ?   ?    87.008   36.079 0.000000 36.07897 
1 1 1   81   21    4 o   77.878   33.566  2568.09  3855.63   0.0000   0.0000  2568.09  3855.63  ?   ?    77.878   33.566 0.000000 33.56626 
1 1 1   81   21    5 o   85.523   33.849  4167.38  3487.27   0.0000   0.0000  4167.38  3487.27  ?   ?    85.523   33.849 0.000000 33.84868 
1 1 1   81   21    6 o  100.565   38.250  7097.18  4319.17   0.0000   0.0000  7097.18  4319.17  ?   ?   100.565   38.250 0.000000 38.24953 
1 1 1   81   21    7 o  138.013   39.696 13343.28  4686.69   0.0000   0.0000 13343.28  4686.69  ?   ?   138.013   39.696 0.000000 39.69575 
1 1 1   81   23    0 o   67.927   32.580 -1143.3910  5177.80   0.0000   0.0000 -1143.3910  5177.80  ?   ?    67.927   32.580 0.000000 32.58036 
1 1 1   81   23    1 o   77.841   35.659  2486.33  5086.80   0.0000   0.0000  2486.33  5086.80  ?   ?    77.841   35.659 0.000000 35.65900 
1 1 1   81   23    2 o   80.063   35.663  3361.20  4684.83   0.0000   0.0000  3361.20  4684.83  ?   ?    80.063   35.663 0.000000 35.66300 
1 1 1   81   23    3 o   76.907   34.495  2769.98  4464.65   0.0000   0.0000  2769.98  4464.65  ?   ?    76.907   34.495 0.000000 34.49489 
1 1 1   81   23    4 o  165.459   51.080 25695.00  7550.95   0.0000   0.0000 25695.00  7550.95  ?   ?   165.459   51.080 0.000000 51.08007 
1 1 1   81   23    5 f  134.014   46.756 17026.26  6254.19   0.0000   0.0000 17026.26  6254.19  ?   ?   134.014   46.756 0.000000 46.75648 
1 1 1   81   25    0 o   57.550   28.697 -5247.2559  5404.63   0.0000   0.0000 -5247.2559  5404.63  ?   ?    57.550   28.697 0.000000 28.69725 
1 1 1   81   25    1 o   53.881   26.778 -4975.0132  4546.01   0.0000   0.0000 -4975.0132  4546.01  ?   ?    53.881   26.778 0.000000 26.77820 
1 1 1   81   25    2 o   41.100   20.828 -8857.5078  3516.05   0.0000   0.0000 -8857.5078  3516.05  ?   ?    41.100   20.828 0.000000 20.82822 
1 1 1   81   25    3 o   61.677   29.802 -820.6349  4524.27   0.0000   0.0000 -820.6349  4524.27  ?   ?    61.677   29.802 0.000000 29.80203 
1 1 1   82    0    0 o   82.535   31.882  3966.43  2027.91   0.0000   0.0000  3966.43  2027.91   82.535   31.882   82.535   31.882 0.000000 0.000000 
1 1 1   82    0    1 o   13.150   9.7022 -2406.1460  770.844   0.0000   0.0000 -2406.1460  770.844   13.150   9.7022   13.150   9.7022 0.000000 0.000000 
1 1 1   82    0    2 o  393.362   34.897 70444.27 10944.15   0.0000   0.0000 70444.27 10944.15  393.362   34.897  393.362   34.897 0.000000 0.000000 
1 1 1   82    0    3 o  464.609   40.355 101814.00 14959.55   0.0000   0.0000 101814.00 14959.55  464.609   40.355  464.609   40.355 0.000000 0.000000 
1 1 1   82    0    4 o  145.460   21.799  9487.41  2404.24   0.0000   0.0000  9487.41  2404.24  145.460   21.799  145.460   21.799 0.000000 0.000000 
1 1 1   82    0    5 o  366.989   31.791 61381.47  9309.61   0.0000   0.0000 61381.47  9309.61  366.989   31.791  366.989   31.791 0.000000 0.000000 
1 1 1   82    0    6 o  111.908   22.049  5858.06  1782.04   0.0000   0.0000  5858.06  1782.04  111.908   22.049  111.908   22.049 0.000000 0.000000 
1 1 1   82    0    7 o   89.828   24.034  4079.44  1514.77   0.0000   0.0000  4079.44  1514.77   89.828   24.034   89.828   24.034 0.000000 0.000000 
1 1 1   82    0    8 o   84.935   52.622  6480.64  7218.28  6480.64  7218.28   0.0000   0.0000   84.935   52.622   84.935   52.622 0.000000 0.000000 
1 1 1   82    0    9 o   77.763   24.432  3264.77  1354.61  850.460  7598.85  3344.02  1376.67   66.067   45.147   78.809   24.545 0.000000 0.000000 
1 1 1   82    0   10 o   45.961   23.538  1396.69  1113.40 -10746.4805  7038.54  1708.34  1127.59   44.782   32.656   51.269   24.098 0.000000 0.000000 
1 1 1   82    0   11 o   20.654   14.616 -1147.0490  1008.00 12743.81  7163.79 -1427.6240  1018.13  102.396   57.349   19.641   14.038 0.000000 0.000000 
1 1 1   82    0   12 o   40.066   24.066  978.529  1410.21 -1049.8440  7835.43  1046.43  1433.62   55.609   39.606   40.863   24.405 0.000000 0.000000 
1 1 1   82    0   13 o  108.293   27.394  6474.42  2082.92  6257.45  9459.55  6485.48  2135.33   63.205   44.738  107.300   28.368 0.000000 0.000000 
1 1 1   82    2    0 o  244.703   19.005 25499.01  3746.53 30143.04  5166.98 20350.50  5440.38  262.223   24.554  208.881   33.187 53.34207 41.28251 
1 1 1   82    2    1 o  240.452   17.923 24490.94  3474.22 25586.32  4717.32 23192.53  5135.92  241.655   24.374  227.016   28.490 14.63879 37.49404 
1 1 1   82    2    2 o  329.083   20.326 46285.43  5404.65 45246.27  7405.97 47469.36  7905.06  317.258   29.073  323.512   30.452 -6.254303 42.10186 
1 1 1   82    2    3 o  220.331   15.992 20414.95  2841.51 18961.52  3789.05 22282.81  4295.42  208.688   22.729  225.675   23.800 -16.98756 32.90973 
1 1 1   82    2    4 o  151.099   13.806  9560.37  1675.05  8982.34  2196.35 10363.98  2589.72  144.397   19.210  154.337   21.227 -9.940399 28.62877 
1 1 1   82    2    5 o  195.818   19.791 16485.32  3103.53 16485.32  3103.53   0.0000   0.0000  195.818   19.791  ?   ?  0.000000 19.79094 
1 1 1   82    2    6 o   33.521   14.409 -25.3484  706.804 -25.3484  706.804   0.0000   0.0000   33.521   14.409  ?   ?  0.000000 14.40915 
1 1 1   82    2    7 o  146.575   13.143  9001.95  1547.59  8149.95  2051.88 10126.13  2356.95  137.152   18.930  152.868   19.427 -15.71547 27.12486 
1 1 1   82    2    8 o   29.606   13.150 -204.3548  632.291  521.697  812.532 -1318.9900  1006.75   42.582   16.489   30.245   14.469 12.33747 21.93760 
1 1 1   82    2    9 f   69.781   16.765  2147.14  938.018  2581.10  1308.24  1687.99  1345.66   75.775   20.684   63.605   21.712 12.17002 29.98692 
1 1 1   82    2   10 o  184.918   13.542 14424.98  2019.14 15767.23  2822.61 13018.32  2889.55  190.373   18.494  171.035   21.266 19.33797 28.18262 
1 1 1   82    2   11 o  102.511   13.901  4511.40  1127.23  3988.86  1595.79  5031.79  1592.51   93.020   21.551  105.946   19.220 -12.92522 28.87636 
1 1 1   82    2   12 o   52.437   17.194  1175.88  845.065   27.918  1242.68  2163.44  1152.60   43.667   18.938   68.710   19.663 -25.04303 27.29979 
1 1 1   82    2   13 o   24.544   11.956 -1294.5150  767.615 -1160.5900  972.439 -1515.9301  1250.36   29.924   14.290   33.505   16.054 -3.581167 21.49275 
1 1 1   82    4    0 o   77.141   8.9060  2471.04  547.584  2471.04  547.584   0.0000   0.0000   77.141   8.9060  ?   ?  0.000000 8.905982 
1 1 1   82    4    1 o  215.267   11.902 19195.24  2072.21 19195.24  2072.21   0.0000   0.0000  215.267   11.902  ?   ?  0.000000 11.90167 
1 1 1   82    4    2 o  175.025   18.803 13104.03  2630.34 13104.03  2630.34   0.0000   0.0000  175.025   18.803  ?   ?  0.000000 18.80336 
1 1 1   82    4    3 o  104.816   13.736  4636.50  1140.88  4785.38  1354.19  4272.40  2117.70  105.731   16.298   96.810   26.271 8.920555 30.91531 
1 1 1   82    4    4 f  219.630   15.250 20249.18  2702.70 19774.03  3470.01 20981.97  4309.28  214.430   20.167  217.922   24.795 -3.491913 31.96096 
1 1 1   82    4    5 o  164.235   13.742 11294.01  1815.74 11367.41  2289.02 11169.44  2981.93  163.243   17.545  158.674   23.885 4.568863 29.63644 
1 1 1   82    4    6 o   70.385   15.244  2150.24  846.013  2403.11  1003.01  1526.74  1574.94   74.083   17.031   63.770   23.322 10.31267 28.87860 
1 1 1   82    4    7 o  210.727   14.427 18653.35  2453.70 16728.06  3240.74 21239.71  3756.13  196.093   20.665  220.783   21.214 -24.68938 29.61510 
1 1 1   82    4    8 o  335.800   17.541 48099.17  4766.10 43844.32  6590.76 52763.30  6900.47  311.392   26.313  343.528   24.908 -32.13678 36.23256 
1 1 1   82    4    9 o   73.589   15.619  2369.18  904.365  2162.37  1165.42  2682.24  1433.84   69.644   19.717   76.992   21.896 -7.347748 29.46546 
1 1 1   82    4   10 o  113.263   13.486  5457.13  1215.83  4950.64  1643.65  6069.16  1806.81  105.056   19.999  116.698   19.774 -11.64170 28.12455 
1 1 1   82    4   11 o  143.084   20.776  9230.12  2343.23  4840.52 10129.67  9478.29  2408.56  105.941   49.168  144.801   21.106 -38.86039 53.50637 
1 1 1   82    4   12 o  157.237   14.045 10614.49  1774.27 10102.62  2410.53 11219.67  2621.06  149.021   20.462  156.578   21.158 -7.557648 29.43381 
1 1 1   82    4   13 o  147.583   13.855  9422.12  1640.87  8102.55  2204.63 11060.95  2456.89  131.457   21.390  155.170   19.963 -23.71320 29.25853 
1 1 1   82    6    0 o  105.679   30.954  5246.54  2826.75   0.0000   0.0000  5246.54  2826.75  ?   ?   105.679   30.954 0.000000 30.95448 
1 1 1   82    6    1 o  109.949   30.021  5663.80  2755.52   0.0000   0.0000  5663.80  2755.52  ?   ?   109.949   30.021 0.000000 30.02120 
1 1 1   82    6    2 o  112.136   29.116  5860.84  2674.45   0.0000   0.0000  5860.84  2674.45  ?   ?   112.136   29.116 0.000000 29.11574 
1 1 1   82    6    3 o  150.793   27.388 10353.12  3229.79   0.0000   0.0000 10353.12  3229.79  ?   ?   150.793   27.388 0.000000 27.38753 
1 1 1   82    6    4 o  192.875   25.915 16652.14  3955.85   0.0000   0.0000 16652.14  3955.85  ?   ?   192.875   25.915 0.000000 25.91519 
1 1 1   82    6    5 o  212.023   14.238 18834.26  2436.87 15895.70  3074.81 23797.18  3995.95  191.797   20.040  234.188   21.246 -42.39180 29.20583 
1 1 1   82    6    6 o   99.640   13.052  4193.78  1030.60  3819.17  1204.83  5215.37  1989.64   93.983   16.384  107.383   23.474 -13.39972 28.62635 
1 1 1   82    6    7 o  111.279   13.091  5223.33  1160.27  4537.00  1368.21  6980.61  2189.31  102.268   17.079  124.933   22.405 -22.66531 28.17250 
1 1 1   82    6    8 o  152.448   12.654  9744.09  1552.19  8751.92  1927.45 11574.73  2618.14  142.629   16.977  162.451   20.291 -19.82222 26.45643 
1 1 1   82    6    9 o   52.405   16.293  1171.14  766.708  1000.93  852.583  1890.66  1752.95   50.125   17.276   68.155   24.654 -18.02901 30.10424 
1 1 1   82    6   10 f  109.386   13.680  5109.85  1188.49  3932.09  1435.54  7676.06  2119.01   93.398   19.557  130.803   20.636 -37.40494 28.43050 
1 1 1   82    6   11 o  176.075   12.876 13132.02  1828.13 10881.58  2388.84 16312.91  2840.06  156.277   19.232  192.353   18.409 -36.07571 26.62221 
1 1 1   82    6   12 o  106.655   24.963  5556.14  2123.58  1399.22 11178.24  5711.78  2162.97   95.062   46.149  108.063   25.127 -13.00135 52.54600 
1 1 1   82    6   13 o  101.910   14.313  4559.68  1151.72  3077.25  1374.11  8060.27  2111.57   80.181   20.895  131.477   20.444 -51.29586 29.23257 
1 1 1   82    8    0 o   79.458   30.297  2371.85  2714.17   0.0000   0.0000  2371.85  2714.17  ?   ?    79.458   30.297 0.000000 30.29726 
1 1 1   82    8    1 o   99.908   29.981  4664.35  2626.14   0.0000   0.0000  4664.35  2626.14  ?   ?    99.908   29.981 0.000000 29.98069 
1 1 1   82    8    2 o  165.732   30.118 12778.95  3903.65   0.0000   0.0000 12778.95  3903.65  ?   ?   165.732   30.118 0.000000 30.11789 
1 1 1   82    8    3 o  265.783   30.973 32716.79  6558.85   0.0000   0.0000 32716.79  6558.85  ?   ?   265.783   30.973 0.000000 30.97309 
1 1 1   82    8    4 o   69.853   26.412  1768.91  2051.73   0.0000   0.0000  1768.91  2051.73  ?   ?    69.853   26.412 0.000000 26.41163 
1 1 1   82    8    5 o  158.818   26.012 11449.91  3238.26   0.0000   0.0000 11449.91  3238.26  ?   ?   158.818   26.012 0.000000 26.01246 
1 1 1   82    8    6 o  208.576   26.142 19704.32  4330.12   0.0000   0.0000 19704.32  4330.12  ?   ?   208.576   26.142 0.000000 26.14227 
1 1 1   82    8    7 o  180.221   12.022 13551.07  1749.16 10850.24  2086.39 19939.55  3208.83  159.328   16.360  215.018   18.561 -55.68954 24.74197 
1 1 1   82    8    8 o   86.554   11.763  3167.65  805.248  2875.24  885.999  4556.01  1930.57   81.777   13.837   99.172   24.191 -17.39503 27.86846 
1 1 1   82    8    9 o   20.316   9.3795 -282.2362  361.580 -220.7917  376.494 -1011.9950  1297.50   21.604   9.8214   37.612   17.503 -16.00875 20.07044 
1 1 1   82    8   10 o  179.964   12.006 13615.60  1744.30 10481.01  2130.00 19997.87  3039.33  154.982   17.217  214.225   17.630 -59.24327 24.64217 
1 1 1   82    8   11 o  131.218   11.954  7293.00  1259.67  6128.61  1483.27 10305.54  2385.81  118.364   15.830  151.077   19.936 -32.71367 25.45644 
1 1 1   82    8   12 o  133.326   12.246  7586.14  1310.94  6625.86  1578.26  9722.90  2354.28  122.287   16.301  145.187   20.544 -22.89936 26.22569 
1 1 1   82   10    0 o  157.091   35.703 12241.69  4450.70   0.0000   0.0000 12241.69  4450.70  ?   ?   157.091   35.703 0.000000 35.70299 
1 1 1   82   10    1 o  200.783   32.707 19196.89  5148.60   0.0000   0.0000 19196.89  5148.60  ?   ?   200.783   32.707 0.000000 32.70686 
1 1 1   82   10    2 o  182.773   30.687 15682.55  4392.79   0.0000   0.0000 15682.55  4392.79  ?   ?   182.773   30.687 0.000000 30.68745 
1 1 1   82   10    3 o  162.823   30.060 12449.64  3827.67   0.0000   0.0000 12449.64  3827.67  ?   ?   162.823   30.060 0.000000 30.05952 
1 1 1   82   10    4 o   85.956   28.744  3333.36  2358.07   0.0000   0.0000  3333.36  2358.07  ?   ?    85.956   28.744 0.000000 28.74392 
1 1 1   82   10    5 o  259.707   30.731 31690.24  6354.78   0.0000   0.0000 31690.24  6354.78  ?   ?   259.707   30.731 0.000000 30.73139 
1 1 1   82   10    6 o  243.502   29.496 27753.86  5712.76   0.0000   0.0000 27753.86  5712.76  ?   ?   243.502   29.496 0.000000 29.49550 
1 1 1   82   10    7 o  196.556   27.175 17920.39  4221.02   0.0000   0.0000 17920.39  4221.02  ?   ?   196.556   27.175 0.000000 27.17484 
1 1 1   82   10    8 o   79.354   27.272  2848.34  2123.91  3940.73  9022.84  2784.26  2185.31  105.840   48.103   78.886   27.632 26.95417 55.47421 
1 1 1   82   10    9 o   65.763   9.5060  1824.04  492.862  1358.69  509.817  8473.16  1927.12   56.090   11.578  139.179   17.436 -83.08823 20.92949 
1 1 1   82   10   10 o   37.430   10.727  598.914  342.780  562.423  350.529  1397.02  1639.32   36.475   10.955   61.198   23.496 -24.72301 25.92414 
1 1 1   82   10   11 o   96.310   28.916  4807.97  2442.41 10511.01 11086.01  4517.04  2503.94  109.946   51.163   93.119   29.516 16.82624 59.06675 
1 1 1   82   10   12 o  105.622   28.653  5930.33  2519.62  4061.70 13892.41  5993.89  2562.11   94.788   47.058  105.915   28.960 -11.12700 55.25508 
1 1 1   82   12    0 o  121.445   36.148  7534.08  3829.21   0.0000   0.0000  7534.08  3829.21  ?   ?   121.445   36.148 0.000000 36.14798 
1 1 1   82   12    1 o   93.026   33.673  3948.58  3270.89   0.0000   0.0000  3948.58  3270.89  ?   ?    93.026   33.673 0.000000 33.67270 
1 1 1   82   12    2 o  152.641   33.204 11422.97  3998.16   0.0000   0.0000 11422.97  3998.16  ?   ?   152.641   33.204 0.000000 33.20382 
1 1 1   82   12    3 o   64.394   26.710  907.297  2291.85   0.0000   0.0000  907.297  2291.85  ?   ?    64.394   26.710 0.000000 26.71048 
1 1 1   82   12    4 o  113.551   32.033  6351.89  3081.67   0.0000   0.0000  6351.89  3081.67  ?   ?   113.551   32.033 0.000000 32.03309 
1 1 1   82   12    5 o  202.531   30.343 19530.25  4836.26   0.0000   0.0000 19530.25  4836.26  ?   ?   202.531   30.343 0.000000 30.34331 
1 1 1   82   12    6 o  118.717   31.802  7021.56  3127.15   0.0000   0.0000  7021.56  3127.15  ?   ?   118.717   31.802 0.000000 31.80177 
1 1 1   82   12    7 o  177.748   29.077 15146.22  4051.43   0.0000   0.0000 15146.22  4051.43  ?   ?   177.748   29.077 0.000000 29.07712 
1 1 1   82   12    8 o   86.596   28.564  3609.98  2331.13 18481.40 10292.37  2805.85  2393.33  146.497   58.097   79.053   28.775 67.44418 64.83258 
1 1 1   82   12    9 o   70.175   26.694  2027.78  2103.74 19399.47 12083.17  1484.73  2136.37  136.072   59.033   65.748   26.339 70.32425 64.64230 
1 1 1   82   12   10 o   31.224   15.370 -2622.2219  1373.35 -16577.9297 10352.19 -2372.2100  1385.60   72.936   36.818   32.346   15.822 40.58920 40.07376 
1 1 1   82   12   11 o  102.522   30.661  5750.62  2750.14 -1736.5940 12646.58  6122.26  2817.57   89.138   44.359  105.638   30.893 -16.50018 54.05683 
1 1 1   82   14    0 o  366.217   47.382 76762.37 13758.83   0.0000   0.0000 76762.37 13758.83  ?   ?   366.217   47.382 0.000000 47.38151 
1 1 1   82   14    1 o  108.781   35.430  6058.85  3590.67   0.0000   0.0000  6058.85  3590.67  ?   ?   108.781   35.430 0.000000 35.43015 
1 1 1   82   14    2 o   94.409   33.320  4269.17  3181.78   0.0000   0.0000  4269.17  3181.78  ?   ?    94.409   33.320 0.000000 33.32002 
1 1 1   82   14    3 o  163.095   34.602 13444.62  4440.31   0.0000   0.0000 13444.62  4440.31  ?   ?   163.095   34.602 0.000000 34.60183 
1 1 1   82   14    4 o   49.437   22.840 -1254.8840  2149.74   0.0000   0.0000 -1254.8840  2149.74  ?   ?    49.437   22.840 0.000000 22.83992 
1 1 1   82   14    5 o   94.268   32.089  4355.17  2939.38   0.0000   0.0000  4355.17  2939.38  ?   ?    94.268   32.089 0.000000 32.08903 
1 1 1   82   14    6 o   54.976   24.288 -126.4640  2129.23   0.0000   0.0000 -126.4640  2129.23  ?   ?    54.976   24.288 0.000000 24.28763 
1 1 1   82   14    7 o   77.481   30.157  2496.99  2728.63   0.0000   0.0000  2496.99  2728.63  ?   ?    77.481   30.157 0.000000 30.15709 
1 1 1   82   14    8 o   91.989   30.200  4307.61  2606.86  2758.77 11824.34  4386.74  2672.63  100.870   48.600   92.616   30.587 8.253960 57.42381 
1 1 1   82   14    9 o   32.250   15.862 -2713.8879  1453.69 -12423.4297 11223.09 -2548.2100  1466.04   79.016   39.684   33.040   16.185 45.97591 42.85733 
1 1 1   82   14   10 o   70.141   28.515  1986.17  2544.77 19162.48 12838.49  1283.73  2596.29  117.644   54.851   65.717   27.915 51.92762 61.54519 
1 1 1   82   14   11 o   91.581   32.464  4929.11  3023.58 16135.51 14353.22  4408.73  3092.98  102.822   50.426   87.255   32.544 15.56686 60.01587 
1 1 1   82   16    0 o  144.186   41.836 12072.58  5185.36   0.0000   0.0000 12072.58  5185.36  ?   ?   144.186   41.836 0.000000 41.83650 
1 1 1   82   16    1 o  157.762   39.613 13779.78  5067.07   0.0000   0.0000 13779.78  5067.07  ?   ?   157.762   39.613 0.000000 39.61309 
1 1 1   82   16    2 o   71.486   30.299  1230.31  3047.95   0.0000   0.0000  1230.31  3047.95  ?   ?    71.486   30.299 0.000000 30.29907 
1 1 1   82   16    3 o   83.314   32.616  2967.32  3205.94   0.0000   0.0000  2967.32  3205.94  ?   ?    83.314   32.616 0.000000 32.61580 
1 1 1   82   16    4 o  155.329   36.778 12981.69  4566.76   0.0000   0.0000 12981.69  4566.76  ?   ?   155.329   36.778 0.000000 36.77789 
1 1 1   82   16    5 o   88.721   32.888  3833.00  3149.07   0.0000   0.0000  3833.00  3149.07  ?   ?    88.721   32.888 0.000000 32.88762 
1 1 1   82   16    6 o  104.756   34.051  5930.17  3317.14   0.0000   0.0000  5930.17  3317.14  ?   ?   104.756   34.051 0.000000 34.05075 
1 1 1   82   16    7 o  176.745   34.284 16753.30  4742.56   0.0000   0.0000 16753.30  4742.56  ?   ?   176.745   34.284 0.000000 34.28364 
1 1 1   82   16    8 o   95.811   32.325  5040.04  2982.58  7674.29 13729.79  4909.56  3055.55  102.806   50.184   94.482   32.697 8.323639 59.89596 
1 1 1   82   16    9 o  106.997   34.213  6768.95  3358.59 30505.68 16693.44  5767.59  3428.70  121.387   58.296   98.422   34.604 22.96535 67.79234 
1 1 1   82   16   10 o   60.127   26.861  426.535  2678.74  5709.15 16841.29  289.418  2713.28   91.802   46.415   59.685   26.822 32.11704 53.60741 
1 1 1   82   18    0 o   77.753   34.007  1528.80  4079.76   0.0000   0.0000  1528.80  4079.76  ?   ?    77.753   34.007 0.000000 34.00734 
1 1 1   82   18    1 o  152.767   42.562 14226.77  5475.92   0.0000   0.0000 14226.77  5475.92  ?   ?   152.767   42.562 0.000000 42.56204 
1 1 1   82   18    2 o  163.367   41.257 15760.38  5473.98   0.0000   0.0000 15760.38  5473.98  ?   ?   163.367   41.257 0.000000 41.25695 
1 1 1   82   18    3 o   97.027   36.288  5103.58  3850.69   0.0000   0.0000  5103.58  3850.69  ?   ?    97.027   36.288 0.000000 36.28778 
1 1 1   82   18    4 o  132.723   39.209 10488.84  4518.19   0.0000   0.0000 10488.84  4518.19  ?   ?   132.723   39.209 0.000000 39.20863 
1 1 1   82   18    5 o   70.961   30.369  1432.67  3114.95   0.0000   0.0000  1432.67  3114.95  ?   ?    70.961   30.369 0.000000 30.36897 
1 1 1   82   18    6 o  173.850   38.616 17796.22  5309.27   0.0000   0.0000 17796.22  5309.27  ?   ?   173.850   38.616 0.000000 38.61584 
1 1 1   82   18    7 o   56.562   25.711 -333.6867  2578.95   0.0000   0.0000 -333.6867  2578.95  ?   ?    56.562   25.711 0.000000 25.71059 
1 1 1   82   18    8 o   92.851   33.882  5161.69  3321.45   0.0000   0.0000  5161.69  3321.45  ?   ?    92.851   33.882 0.000000 33.88244 
1 1 1   82   18    9 o  104.404   33.002  6678.15  3132.08  6836.99 17114.21  6672.64  3185.89   90.130   45.705  103.891   33.332 -13.76086 56.56797 
1 1 1   82   20    0 f   65.434   30.892 -1631.3690  4296.32   0.0000   0.0000 -1631.3690  4296.32  ?   ?    65.434   30.892 0.000000 30.89182 
1 1 1   82   20    1 o   95.693   38.792  5441.12  4694.02   0.0000   0.0000  5441.12  4694.02  ?   ?    95.693   38.792 0.000000 38.79169 
1 1 1   82   20    2 o   85.518   35.642  3621.94  4108.79   0.0000   0.0000  3621.94  4108.79  ?   ?    85.518   35.642 0.000000 35.64226 
1 1 1   82   20    3 o   88.103   36.002  4179.47  4082.61   0.0000   0.0000  4179.47  4082.61  ?   ?    88.103   36.002 0.000000 36.00168 
1 1 1   82   20    4 o   69.135   30.800  932.032  3495.94   0.0000   0.0000  932.032  3495.94  ?   ?    69.135   30.800 0.000000 30.80047 
1 1 1   82   20    5 o   52.159   24.266 -1046.2400  2491.10   0.0000   0.0000 -1046.2400  2491.10  ?   ?    52.159   24.266 0.000000 24.26599 
1 1 1   82   20    6 o   56.414   26.389 -1056.9950  3010.89   0.0000   0.0000 -1056.9950  3010.89  ?   ?    56.414   26.389 0.000000 26.38853 
1 1 1   82   20    7 o   71.163   30.901  2022.85  3316.92   0.0000   0.0000  2022.85  3316.92  ?   ?    71.163   30.901 0.000000 30.90130 
1 1 1   82   22    0 o   64.939   31.260 -2108.8730  4865.73   0.0000   0.0000 -2108.8730  4865.73  ?   ?    64.939   31.260 0.000000 31.25957 
1 1 1   82   22    1 o  122.669   46.347 13352.62  6314.75   0.0000   0.0000 13352.62  6314.75  ?   ?   122.669   46.347 0.000000 46.34656 
1 1 1   82   22    2 o   89.006   37.907  5175.58  4810.76   0.0000   0.0000  5175.58  4810.76  ?   ?    89.006   37.907 0.000000 37.90715 
1 1 1   82   22    3 o   72.225   32.768  1531.12  4164.02   0.0000   0.0000  1531.12  4164.02  ?   ?    72.225   32.768 0.000000 32.76843 
1 1 1   82   22    4 o   50.808   24.762 -3422.1101  3305.18   0.0000   0.0000 -3422.1101  3305.18  ?   ?    50.808   24.762 0.000000 24.76189 
1 1 1   82   22    5 o   54.086   25.428 -1022.4020  2856.38   0.0000   0.0000 -1022.4020  2856.38  ?   ?    54.086   25.428 0.000000 25.42762 
1 1 1   82   22    6 o  119.063   43.302 12698.41  5418.25   0.0000   0.0000 12698.41  5418.25  ?   ?   119.063   43.302 0.000000 43.30157 
1 1 1   82   24    0 o   79.870   37.772  4456.80  6473.90   0.0000   0.0000  4456.80  6473.90  ?   ?    79.870   37.772 0.000000 37.77239 
1 1 1   82   24    1 o   91.375   40.908  8386.76  6248.46   0.0000   0.0000  8386.76  6248.46  ?   ?    91.375   40.908 0.000000 40.90838 
1 1 1   82   24    2 o   38.134   19.385 -9465.5977  3213.70   0.0000   0.0000 -9465.5977  3213.70  ?   ?    38.134   19.385 0.000000 19.38542 
1 1 1   82   24    3 o   51.182   24.832 -2442.6089  3223.78   0.0000   0.0000 -2442.6089  3223.78  ?   ?    51.182   24.832 0.000000 24.83229 
1 1 1   83    1    0 o  100.717   20.334  4468.96  1605.59  4561.52  2369.55  4390.38  2183.18   99.501   28.096   97.934   26.714 1.566238 38.76921 
1 1 1   83    1    1 o  153.854   16.983 10063.83  2086.25  9405.10  2738.49 10974.91  3220.59  145.520   24.014  156.157   26.337 -10.63681 35.64184 
1 1 1   83    1    2 o  104.269   16.631  4667.35  1360.69  5237.81  1842.82  3983.50  2017.67  108.787   21.624   93.634   25.740 15.15347 33.61794 
1 1 1   83    1    3 o   70.372   18.005  2170.93  1032.99  2373.41  1318.12  1848.64  1663.02   73.418   21.033   68.172   24.086 5.246017 31.97672 
1 1 1   83    1    4 o   95.868   14.998  3922.93  1129.19  3463.75  1527.52  4476.21  1676.73   88.100   21.535  100.441   21.224 -12.34079 30.23604 
1 1 1   83    1    5 o   73.729   16.372  2369.56  954.565  2536.60  1219.75  2105.59  1533.34   75.711   19.665   70.338   23.165 5.372620 30.38623 
1 1 1   83    1    6 f  285.995   17.383 34724.16  4017.47 33753.77  5586.85 35763.26  5781.25  275.422   25.264  283.427   25.390 -8.004669 35.81802 
1 1 1   83    1    7 o   28.658   13.316 -630.0970  746.531 -630.0970  746.531   0.0000   0.0000   28.658   13.316  ?   ?  0.000000 13.31623 
1 1 1   83    1    8 o   37.423   14.735  356.829  657.725  306.886  858.679  427.730  1023.10   40.523   16.529   44.745   18.120 -4.221951 24.52679 
1 1 1   83    1    9 o  102.495   13.740  4475.98  1114.70  4260.72  1537.80  4714.31  1618.13   97.527   20.088  102.692   20.126 -5.164330 28.43554 
1 1 1   83    1   10 o  168.849   13.502 12057.93  1835.63 13802.04  2591.92 10302.88  2600.04  177.921   18.197  151.271   21.797 26.65024 28.39498 
1 1 1   83    1   11 o   96.310   15.147  4040.14  1145.37  3637.09  1643.19  4421.02  1597.36   87.994   22.810   98.224   20.682 -10.22996 30.79011 
1 1 1   83    1   12 o   32.732   14.725 -312.2767  820.407  168.419  1200.64 -733.2926  1123.64   44.121   18.868   35.732   16.510 8.389023 25.07102 
1 1 1   83    1   13 o   62.242   19.242  1783.79  1071.06  721.099  1389.68  3338.64  1680.95   51.297   20.988   82.224   23.809 -30.92716 31.73913 
1 1 1   83    3    0 o  126.267   9.6341  6586.98  980.281  6962.05  1046.19  3888.27  2806.29  129.745   10.008   93.013   31.356 36.73188 32.91409 
1 1 1   83    3    1 o  216.211   17.297 19813.74  3011.19 20844.93  3935.78 18358.02  4676.24  218.715   22.482  200.270   29.653 18.44568 37.21249 
1 1 1   83    3    2 o  217.572   16.557 19992.99  2902.96 20509.66  3782.71 19252.72  4527.85  217.423   21.717  206.602   27.688 10.82164 35.18874 
1 1 1   83    3    3 o   86.657   18.220  3286.77  1241.29  3286.77  1241.29   0.0000   0.0000   86.657   18.220  ?   ?  0.000000 18.21955 
1 1 1   83    3    4 o  215.235   20.511 19996.72  3541.24 19996.72  3541.24   0.0000   0.0000  215.235   20.511  ?   ?  0.000000 20.51120 
1 1 1   83    3    5 o  250.308   16.131 26435.13  3261.05 25626.99  4349.39 27472.73  4928.33  242.302   22.359  249.069   24.695 -6.766983 33.31320 
1 1 1   83    3    6 o   99.025   13.722  4158.71  1073.69  3482.10  1346.39  5340.55  1779.45   88.753   19.238  109.862   20.708 -21.10897 28.26500 
1 1 1   83    3    7 o  100.370   14.386  4294.70  1138.87  3746.34  1423.53  5269.81  1898.28   91.851   19.680  108.244   22.339 -16.39326 29.77114 
1 1 1   83    3    8 o   55.648   16.757  1333.05  819.363  981.779  1011.81  2002.27  1396.56   51.566   18.719   67.970   22.094 -16.40390 28.95733 
1 1 1   83    3    9 o   67.964   16.492  2040.43  900.860  1609.23  1170.24  2667.65  1411.40   61.435   20.237   76.681   21.695 -15.24598 29.66838 
1 1 1   83    3   10 o   71.349   22.718  2292.93  1482.08  2189.46  8656.54  2296.05  1504.29   99.477   45.915   71.432   22.903 28.04563 51.30955 
1 1 1   83    3   11 o  112.383   14.392  5445.99  1283.13  6172.88  1797.56  4690.82  1832.18  117.041   19.609   99.877   23.059 17.16389 30.26914 
1 1 1   83    3   12 o  169.728   14.052 12385.73  1919.10 13532.13  2714.35 11239.88  2713.70  173.027   19.670  155.548   22.108 17.47957 29.59200 
1 1 1   83    3   13 o   61.728   18.277  1754.75  980.822  1680.61  1379.86  1830.46  1394.43   61.546   21.919   63.435   22.081 -1.888977 31.11268 
1 1 1   83    5    0 o   76.046   9.5593  2412.37  577.210  2167.70  595.906  6129.00  2322.56   71.813   10.533  116.071   25.353 -44.25804 27.45397 
1 1 1   83    5    1 o  135.781   10.878  7648.39  1189.28  7059.43  1298.85 10703.67  2958.30  129.978   12.460  155.003   24.304 -25.02536 27.31198 
1 1 1   83    5    2 o  204.325   13.057 17396.66  2154.93 16555.48  2506.91 19777.26  4217.33  198.169   15.709  210.984   25.111 -12.81516 29.61963 
1 1 1   83    5    3 o  122.019   13.283  6254.12  1294.77  5948.11  1509.80  7104.77  2517.27  118.019   16.181  125.059   25.651 -7.040146 30.32816 
1 1 1   83    5    4 f  157.341   13.686 10378.60  1731.04  9639.29  2087.01 12008.58  3098.87  150.123   17.447  164.389   23.918 -14.26576 29.60482 
1 1 1   83    5    5 f  243.092   15.691 24916.36  3080.66 22246.94  3966.58 28974.15  4890.49  225.713   21.920  256.282   23.772 -30.56917 32.33542 
1 1 1   83    5    6 o  111.134   13.567  5219.97  1198.86  4998.35  1434.87  5732.40  2181.89  107.542   16.997  112.055   24.650 -4.513420 29.94236 
1 1 1   83    5    7 o   61.106   16.231  1634.22  818.904  1372.85  953.437  2369.33  1598.96   56.987   18.229   73.394   23.621 -16.40630 29.83703 
1 1 1   83    5    8 f  112.926   13.446  5403.31  1208.68  4812.27  1489.75  6541.73  2067.56  104.711   18.181  120.661   21.910 -15.95012 28.47155 
1 1 1   83    5    9 o  218.238   14.469 20168.35  2549.34 17805.30  3409.63 23164.18  3839.10  200.278   21.294  229.016   20.875 -28.73708 29.81900 
1 1 1   83    5   10 o   62.987   17.141  1767.37  900.053  1650.23  1093.66  2013.21  1584.38   61.358   19.513   68.082   23.546 -6.724747 30.58041 
1 1 1   83    5   11 o  161.593   20.804 11832.90  2666.29 17739.34 11677.35 11508.04  2738.63  132.329   57.715  158.513   21.860 -26.18344 61.71610 
1 1 1   83    5   12 o   91.069   15.355  3667.24  1095.05  3654.25  1335.64  3693.86  1912.54   89.085   19.042   86.269   25.517 2.816055 31.83870 
1 1 1   83    7    0 o   97.042   31.880  4380.44  2904.78   0.0000   0.0000  4380.44  2904.78  ?   ?    97.042   31.880 0.000000 31.87975 
1 1 1   83    7    1 o  120.931   31.541  6997.24  3129.28   0.0000   0.0000  6997.24  3129.28  ?   ?   120.931   31.541 0.000000 31.54061 
1 1 1   83    7    2 o  171.792   28.616 13575.47  3851.22   0.0000   0.0000 13575.47  3851.22  ?   ?   171.792   28.616 0.000000 28.61614 
1 1 1   83    7    3 o  196.596   28.638 17726.05  4437.22   0.0000   0.0000 17726.05  4437.22  ?   ?   196.596   28.638 0.000000 28.63830 
1 1 1   83    7    4 o  195.833   27.413 17464.88  4239.49   0.0000   0.0000 17464.88  4239.49  ?   ?   195.833   27.413 0.000000 27.41305 
1 1 1   83    7    5 o  206.622   26.245 19309.30  4303.77   0.0000   0.0000 19309.30  4303.77  ?   ?   206.622   26.245 0.000000 26.24481 
1 1 1   83    7    6 o  162.650   12.580 11066.02  1648.48  9008.58  1923.17 16764.89  3200.71  145.042   16.630  196.090   20.401 -51.04855 26.32079 
1 1 1   83    7    7 o  282.783   15.259 33805.14  3490.69 24753.12  4475.41 47865.88  5577.82  235.294   23.750  331.109   20.854 -95.81522 31.60608 
1 1 1   83    7    8 o  172.837   12.426 12522.42  1732.19 10269.07  2077.71 17658.41  3136.77  154.382   16.848  201.086   19.455 -46.70367 25.73625 
1 1 1   83    7    9 f  255.990   14.436 27780.21  2988.27 22790.02  3767.18 36248.88  4907.56  226.797   20.684  285.630   21.314 -58.83360 29.70066 
1 1 1   83    7   10 o  149.314   12.577  9430.31  1510.59  6710.98  1815.71 15544.36  2722.58  122.719   18.823  188.267   18.031 -65.54806 26.06529 
1 1 1   83    7   11 o  104.874   12.555  4703.23  1047.83  4073.01  1234.64  6326.10  1981.23   95.793   16.467  116.660   21.715 -20.86615 27.25250 
1 1 1   83    7   12 o  107.145   13.306  4968.99  1132.70  4074.16  1332.28  7302.67  2151.52   94.499   18.021  124.178   22.151 -29.67937 28.55533 
1 1 1   83    9    0 o  150.697   35.196 11256.71  4228.69   0.0000   0.0000 11256.71  4228.69  ?   ?   150.697   35.196 0.000000 35.19607 
1 1 1   83    9    1 o  255.081   33.263 31020.35  6725.46   0.0000   0.0000 31020.35  6725.46  ?   ?   255.081   33.263 0.000000 33.26340 
1 1 1   83    9    2 o  235.213   31.900 26106.13  5935.19   0.0000   0.0000 26106.13  5935.19  ?   ?   235.213   31.900 0.000000 31.89976 
1 1 1   83    9    3 o  125.425   30.336  7510.25  3055.65   0.0000   0.0000  7510.25  3055.65  ?   ?   125.425   30.336 0.000000 30.33575 
1 1 1   83    9    4 o  100.494   29.029  4777.36  2501.48   0.0000   0.0000  4777.36  2501.48  ?   ?   100.494   29.029 0.000000 29.02877 
1 1 1   83    9    5 o  131.558   27.990  8122.21  2898.04   0.0000   0.0000  8122.21  2898.04  ?   ?   131.558   27.990 0.000000 27.99009 
1 1 1   83    9    6 o   52.869   22.264  371.906  1628.74   0.0000   0.0000  371.906  1628.74  ?   ?    52.869   22.264 0.000000 22.26402 
1 1 1   83    9    7 o   85.504   26.789  3402.83  2068.28   0.0000   0.0000  3402.83  2068.28  ?   ?    85.504   26.789 0.000000 26.78917 
1 1 1   83    9    8 o   49.179   10.978  1042.79  427.259  863.028  436.842  5005.34  2051.01   44.706   11.845  103.238   24.782 -58.53254 27.46702 
1 1 1   83    9    9 o   33.709   11.606  436.441  384.768  324.960  395.619  2385.42  1654.17   31.384   11.652   72.579   24.068 -41.19560 26.74001 
1 1 1   83    9   10 o   56.459   12.412  1391.18  553.484  1363.27  574.921  1744.57  2045.99   55.767   12.946   67.202   26.126 -11.43511 29.15711 
1 1 1   83    9   11 o   93.316   27.052  4415.21  2168.85 -14749.8496 12739.56  4987.25  2200.98   80.608   40.709   99.445   26.697 -18.83624 48.68261 
1 1 1   83    9   12 o  160.379   25.386 12747.55  3195.79 25352.21 14961.29 12144.95  3271.29  118.772   56.532  154.689   27.029 -35.91647 62.66109 
1 1 1   83   11    0 o   83.660   33.163  2615.43  3352.16   0.0000   0.0000  2615.43  3352.16  ?   ?    83.660   33.163 0.000000 33.16270 
1 1 1   83   11    1 o  116.922   33.704  6806.71  3375.20   0.0000   0.0000  6806.71  3375.20  ?   ?   116.922   33.704 0.000000 33.70354 
1 1 1   83   11    2 o  196.317   33.612 18760.53  5165.14   0.0000   0.0000 18760.53  5165.14  ?   ?   196.317   33.612 0.000000 33.61170 
1 1 1   83   11    3 o   95.913   31.236  4379.28  2790.97   0.0000   0.0000  4379.28  2790.97  ?   ?    95.913   31.236 0.000000 31.23641 
1 1 1   83   11    4 o  160.567   31.025 12401.82  3898.55   0.0000   0.0000 12401.82  3898.55  ?   ?   160.567   31.025 0.000000 31.02543 
1 1 1   83   11    5 o  215.899   30.111 22128.27  5134.91   0.0000   0.0000 22128.27  5134.91  ?   ?   215.899   30.111 0.000000 30.11125 
1 1 1   83   11    6 o  120.120   29.662  7028.51  2875.85   0.0000   0.0000  7028.51  2875.85  ?   ?   120.120   29.662 0.000000 29.66218 
1 1 1   83   11    7 o  138.259   30.409  9405.43  3320.91   0.0000   0.0000  9405.43  3320.91  ?   ?   138.259   30.409 0.000000 30.40876 
1 1 1   83   11    8 o   63.944   25.300  1380.91  1947.65  9271.09 11555.15  1150.19  1975.92  117.158   53.697   62.233   25.189 54.92543 59.31173 
1 1 1   83   11    9 o   42.330   19.714 -1159.0760  1651.10 -2443.8350 10091.41 -1123.7371  1673.66   90.367   43.865   42.855   19.922 47.51232 48.17665 
1 1 1   83   11   10 o   89.496   28.592  4092.92  2346.10 16530.36 13191.63  3686.67  2384.11  119.444   55.660   85.386   28.900 34.05874 62.71547 
1 1 1   83   11   11 o   80.262   28.528  3282.90  2336.37 -5617.3911 14024.97  3536.94  2369.48   87.353   43.937   82.634   28.782 4.719482 52.52530 
1 1 1   83   13    0 o  233.406   39.770 28682.97  7266.90   0.0000   0.0000 28682.97  7266.90  ?   ?   233.406   39.770 0.000000 39.76984 
1 1 1   83   13    1 o   60.646   27.394 -685.3060  2872.57   0.0000   0.0000 -685.3060  2872.57  ?   ?    60.646   27.394 0.000000 27.39353 
1 1 1   83   13    2 o  146.206   36.977 11163.07  4392.69   0.0000   0.0000 11163.07  4392.69  ?   ?   146.206   36.977 0.000000 36.97738 
1 1 1   83   13    3 o  102.018   33.316  5187.27  3174.17   0.0000   0.0000  5187.27  3174.17  ?   ?   102.018   33.316 0.000000 33.31610 
1 1 1   83   13    4 f  107.381   33.254  5834.32  3197.47   0.0000   0.0000  5834.32  3197.47  ?   ?   107.381   33.254 0.000000 33.25415 
1 1 1   83   13    5 o   74.540   28.907  2146.61  2500.12   0.0000   0.0000  2146.61  2500.12  ?   ?    74.540   28.907 0.000000 28.90720 
1 1 1   83   13    6 o   49.786   22.509 -624.2750  1944.91   0.0000   0.0000 -624.2750  1944.91  ?   ?    49.786   22.509 0.000000 22.50948 
1 1 1   83   13    7 o   55.594   24.155  194.006  2029.04   0.0000   0.0000  194.006  2029.04  ?   ?    55.594   24.155 0.000000 24.15466 
1 1 1   83   13    8 o   60.492   25.353  860.439  2095.70  5336.35 13071.48  742.352  2123.16  105.982   51.072   59.907   25.334 46.07453 57.01002 
1 1 1   83   13    9 o   39.526   18.739 -1550.6160  1612.15 -4384.5649 11549.43 -1494.3010  1628.09   88.062   43.575   40.034   18.936 48.02752 47.51137 
1 1 1   83   13   10 o   63.374   26.333  1290.09  2233.00 16580.68 12753.92  806.548  2268.03  113.497   53.473   60.321   25.867 53.17649 59.40104 
1 1 1   83   13   11 o  100.167   31.489  5791.26  2854.95 -2963.3511 14492.23  6144.73  2912.02   85.914   43.393  103.034   31.707 -17.11931 53.74226 
1 1 1   83   15    0 o  179.676   41.587 18142.60  5947.19   0.0000   0.0000 18142.60  5947.19  ?   ?   179.676   41.587 0.000000 41.58729 
1 1 1   83   15    1 o  105.693   36.553  5906.26  3818.31   0.0000   0.0000  5906.26  3818.31  ?   ?   105.693   36.553 0.000000 36.55285 
1 1 1   83   15    2 o  129.454   37.373  9113.19  4147.23   0.0000   0.0000  9113.19  4147.23  ?   ?   129.454   37.373 0.000000 37.37259 
1 1 1   83   15    3 o   60.262   27.484 -857.7050  2978.38   0.0000   0.0000 -857.7050  2978.38  ?   ?    60.262   27.484 0.000000 27.48386 
1 1 1   83   15    4 o  118.107   35.776  7517.98  3726.70   0.0000   0.0000  7517.98  3726.70  ?   ?   118.107   35.776 0.000000 35.77613 
1 1 1   83   15    5 o   91.941   33.080  4226.30  3150.45   0.0000   0.0000  4226.30  3150.45  ?   ?    91.941   33.080 0.000000 33.07959 
1 1 1   83   15    6 o  102.245   33.455  5566.33  3200.09   0.0000   0.0000  5566.33  3200.09  ?   ?   102.245   33.455 0.000000 33.45484 
1 1 1   83   15    7 o  113.833   35.182  7273.68  3580.97   0.0000   0.0000  7273.68  3580.97  ?   ?   113.833   35.182 0.000000 35.18201 
1 1 1   83   15    8 o  151.596   33.530 12525.62  4017.83   0.0000   0.0000 12525.62  4017.83  ?   ?   151.596   33.530 0.000000 33.53049 
1 1 1   83   15    9 o   77.675   30.765  2905.53  2882.79 -3570.1021 14063.86  3189.55  2945.33   88.493   44.440   79.824   31.259 8.669350 54.33283 
1 1 1   83   15   10 o   54.293   24.756 -323.1523  2414.69 -11221.0303 14461.89 -10.6210  2449.07   80.182   40.795   56.166   25.339 24.01582 48.02413 
1 1 1   83   17    0 o  113.979   41.296  7883.90  4921.14   0.0000   0.0000  7883.90  4921.14  ?   ?   113.979   41.296 0.000000 41.29570 
1 1 1   83   17    1 o  150.992   41.725 13612.08  5285.67   0.0000   0.0000 13612.08  5285.67  ?   ?   150.992   41.725 0.000000 41.72506 
1 1 1   83   17    2 o   73.811   31.512  1496.97  3339.07   0.0000   0.0000  1496.97  3339.07  ?   ?    73.811   31.512 0.000000 31.51189 
1 1 1   83   17    3 o   81.017   33.000  2707.19  3416.26   0.0000   0.0000  2707.19  3416.26  ?   ?    81.017   33.000 0.000000 32.99961 
1 1 1   83   17    4 o  145.333   38.983 12278.29  4695.18   0.0000   0.0000 12278.29  4695.18  ?   ?   145.333   38.983 0.000000 38.98271 
1 1 1   83   17    5 o   74.894   31.133  2056.46  3123.10   0.0000   0.0000  2056.46  3123.10  ?   ?    74.894   31.133 0.000000 31.13251 
1 1 1   83   17    6 o  169.842   37.728 16647.31  5067.65   0.0000   0.0000 16647.31  5067.65  ?   ?   169.842   37.728 0.000000 37.72807 
1 1 1   83   17    7 o   81.385   31.767  3330.54  3034.41   0.0000   0.0000  3330.54  3034.41  ?   ?    81.385   31.767 0.000000 31.76699 
1 1 1   83   17    8 o   78.664   31.167  3130.87  2959.43   0.0000   0.0000  3130.87  2959.43  ?   ?    78.664   31.167 0.000000 31.16677 
1 1 1   83   17    9 o   83.917   32.022  4068.36  3033.43 11687.98 16636.89  3806.33  3085.14   94.489   47.568   81.965   32.021 12.52381 57.34190 
1 1 1   83   19    0 o  170.229   49.287 21103.00  7203.53   0.0000   0.0000 21103.00  7203.53  ?   ?   170.229   49.287 0.000000 49.28654 
1 1 1   83   19    1 o  102.409   39.748  6521.10  4729.85   0.0000   0.0000  6521.10  4729.85  ?   ?   102.409   39.748 0.000000 39.74770 
1 1 1   83   19    2 o  104.053   39.066  6725.37  4471.42   0.0000   0.0000  6725.37  4471.42  ?   ?   104.053   39.066 0.000000 39.06640 
1 1 1   83   19    3 o   84.767   34.963  3522.70  3895.35   0.0000   0.0000  3522.70  3895.35  ?   ?    84.767   34.963 0.000000 34.96294 
1 1 1   83   19    4 o  166.730   43.114 18184.63  5880.12   0.0000   0.0000 18184.63  5880.12  ?   ?   166.730   43.114 0.000000 43.11433 
1 1 1   83   19    5 o  114.142   39.486  8665.90  4455.87   0.0000   0.0000  8665.90  4455.87  ?   ?   114.142   39.486 0.000000 39.48610 
1 1 1   83   19    6 o   62.787   28.396  255.268  3097.98   0.0000   0.0000  255.268  3097.98  ?   ?    62.787   28.396 0.000000 28.39612 
1 1 1   83   19    7 o   88.743   34.624  4869.67  3603.68   0.0000   0.0000  4869.67  3603.68  ?   ?    88.743   34.624 0.000000 34.62443 
1 1 1   83   19    8 o   77.448   32.076  3310.70  3297.99   0.0000   0.0000  3310.70  3297.99  ?   ?    77.448   32.076 0.000000 32.07636 
1 1 1   83   21    0 o   61.362   29.704 -3105.3970  4546.34   0.0000   0.0000 -3105.3970  4546.34  ?   ?    61.362   29.704 0.000000 29.70424 
1 1 1   83   21    1 o   60.889   29.054 -1966.5980  4003.88   0.0000   0.0000 -1966.5980  4003.88  ?   ?    60.889   29.054 0.000000 29.05393 
1 1 1   83   21    2 f   85.543   36.676  4186.53  4557.69   0.0000   0.0000  4186.53  4557.69  ?   ?    85.543   36.676 0.000000 36.67563 
1 1 1   83   21    3 o   98.922   39.698  7080.82  4862.48   0.0000   0.0000  7080.82  4862.48  ?   ?    98.922   39.698 0.000000 39.69805 
1 1 1   83   21    4 o   32.134   16.373 -8509.4600  2394.00   0.0000   0.0000 -8509.4600  2394.00  ?   ?    32.134   16.373 0.000000 16.37325 
1 1 1   83   21    5 o   51.826   25.064 -2755.1589  3217.59   0.0000   0.0000 -2755.1589  3217.59  ?   ?    51.826   25.064 0.000000 25.06398 
1 1 1   83   21    6 o  111.580   41.333 10333.15  4972.41   0.0000   0.0000 10333.15  4972.41  ?   ?   111.580   41.333 0.000000 41.33305 
1 1 1   83   23    0 o  101.183   44.764 11919.64  7258.08   0.0000   0.0000 11919.64  7258.08  ?   ?   101.183   44.764 0.000000 44.76442 
1 1 1   83   23    1 o  103.665   44.117 11442.36  6507.36   0.0000   0.0000 11442.36  6507.36  ?   ?   103.665   44.117 0.000000 44.11747 
1 1 1   83   23    2 o   79.245   35.989  3878.01  5038.65   0.0000   0.0000  3878.01  5038.65  ?   ?    79.245   35.989 0.000000 35.98895 
1 1 1   83   23    3 o   65.487   30.980  159.143  4361.42   0.0000   0.0000  159.143  4361.42  ?   ?    65.487   30.980 0.000000 30.98023 
1 1 1   83   23    4 o   64.925   30.674  310.446  4250.51   0.0000   0.0000  310.446  4250.51  ?   ?    64.925   30.674 0.000000 30.67441 
1 1 1   83   25    0 o   82.743   39.730  9728.97  7746.29   0.0000   0.0000  9728.97  7746.29  ?   ?    82.743   39.730 0.000000 39.73001 
1 1 1   84    0    0 o  194.070   28.794 17229.95  4243.50   0.0000   0.0000 17229.95  4243.50  194.070   28.794  194.070   28.794 0.000000 0.000000 
1 1 1   84    0    1 o  168.072   26.383 12901.25  3335.50   0.0000   0.0000 12901.25  3335.50  168.072   26.383  168.072   26.383 0.000000 0.000000 
1 1 1   84    0    2 o   64.859   30.747  2700.43  1839.65   0.0000   0.0000  2700.43  1839.65   64.859   30.747   64.859   30.747 0.000000 0.000000 
1 1 1   84    0    3 o  299.315   28.434 40169.50  6767.04   0.0000   0.0000 40169.50  6767.04  299.315   28.434  299.315   28.434 0.000000 0.000000 
1 1 1   84    0    4 o   87.712   27.725  4131.21  1736.13   0.0000   0.0000  4131.21  1736.13   87.712   27.725   87.712   27.725 0.000000 0.000000 
1 1 1   84    0    5 o  168.824   21.641 12704.90  2832.93   0.0000   0.0000 12704.90  2832.93  168.824   21.641  168.824   21.641 0.000000 0.000000 
1 1 1   84    0    6 o   37.113   21.704  748.348  1091.88   0.0000   0.0000  748.348  1091.88   37.113   21.704   37.113   21.704 0.000000 0.000000 
1 1 1   84    0    7 o   35.370   21.131  627.015  1075.48   0.0000   0.0000  627.015  1075.48   35.370   21.131   35.370   21.131 0.000000 0.000000 
1 1 1   84    0    8 o  102.042   62.858 13367.54 10156.00 13367.54 10156.00   0.0000   0.0000  102.042   62.858  102.042   62.858 0.000000 0.000000 
1 1 1   84    0    9 o   21.036   14.419 -465.7843  788.061 -25372.9199  8124.84 -229.2369  791.794   38.374   28.524   22.890   15.326 0.000000 0.000000 
1 1 1   84    0   10 o   41.998   23.256  1160.07  1162.92 15736.47  9017.51  913.550  1172.71  104.163   61.681   38.788   22.575 0.000000 0.000000 
1 1 1   84    0   11 o   68.439   28.516  3080.51  1582.81 20394.52 10074.79  2642.35  1602.71  104.873   63.656   61.245   28.737 0.000000 0.000000 
1 1 1   84    0   12 o   59.297   28.859  2621.23  1632.69 -7368.7451  9790.03  2907.03  1655.88   50.168   36.787   63.272   29.240 0.000000 0.000000 
1 1 1   84    2    0 o  186.623   17.764 14856.81  2659.28 15184.68  3619.67 14472.31  3919.82  184.671   24.763  178.109   28.031 6.562424 37.40266 
1 1 1   84    2    1 o  270.402   18.983 31241.56  4141.41 25922.80  5549.47 37926.87  6221.67  238.229   29.307  291.322   26.596 -53.09308 39.57586 
1 1 1   84    2    2 o  192.907   16.071 15723.95  2494.43 16015.01  3324.66 15349.10  3773.03  191.669   21.748  185.102   25.806 6.567322 33.74767 
1 1 1   84    2    3 o  160.893   15.008 10912.50  1937.98 10136.25  2528.42 12018.02  3017.40  152.390   20.991  164.947   23.168 -12.55716 31.26328 
1 1 1   84    2    4 o  210.565   15.273 18665.13  2593.53 17306.79  3443.74 20445.16  3942.21  199.211   21.638  215.855   22.840 -16.64388 31.46189 
1 1 1   84    2    5 o  196.114   20.090 16650.58  3153.97 16650.58  3153.97   0.0000   0.0000  196.114   20.090  ?   ?  0.000000 20.09020 
1 1 1   84    2    6 o  296.969   17.846 37619.27  4283.26 35607.73  5879.14 39894.79  6253.03  281.435   26.022  297.883   26.116 -16.44769 36.86748 
1 1 1   84    2    7 o  266.491   16.512 30176.66  3555.34 27321.17  4890.65 33377.11  5177.64  246.848   24.733  274.253   23.477 -27.40590 34.10158 
1 1 1   84    2    8 o   44.893   16.242  732.985  760.862  1168.91  987.136   94.940  1194.25   53.948   18.590   44.090   18.835 9.857800 26.46367 
1 1 1   84    2    9 o   42.653   18.225   91.772  1118.53 10208.67  8007.33 -109.5648  1129.60  126.097   50.823   41.032   17.922 85.06476 53.89034 
1 1 1   84    2   10 o   97.562   15.458  4143.07  1183.74  5735.27  1644.63  2431.54  1705.15  113.675   18.451   73.301   24.442 40.37465 30.62417 
1 1 1   84    2   11 o   57.572   17.921  1462.96  927.291  1624.20  1267.24  1277.12  1360.50   61.309   21.066   57.658   21.568 3.650803 30.14926 
1 1 1   84    2   12 o  107.534   15.166  5077.28  1287.42  5396.11  1786.38  4732.71  1857.05  107.287   21.258   98.879   23.480 8.407974 31.67346 
1 1 1   84    4    0 f   29.489   9.7706  340.422  272.635  340.422  272.635   0.0000   0.0000   29.489   9.7706  ?   ?  0.000000 9.770555 
1 1 1   84    4    1 o   92.664   8.7731  3553.18  652.224  3553.18  652.224   0.0000   0.0000   92.664   8.7731  ?   ?  0.000000 8.773075 
1 1 1   84    4    2 o  114.273   14.677  5538.04  1330.38  6165.95  1571.74  3951.47  2498.41  120.006   16.572   92.829   29.490 27.17735 33.82713 
1 1 1   84    4    3 o   33.525   13.651  194.914  584.346 -18.6444  640.632  1252.53  1425.66   31.997   13.735   59.391   22.106 -27.39443 26.02545 
1 1 1   84    4    4 o  165.811   14.192 11555.23  1892.34 11489.83  2325.52 11683.42  3255.68  163.787   17.772  160.795   25.809 2.992294 31.33600 
1 1 1   84    4    5 o   37.416   14.156  432.913  589.649  701.354  646.812 -887.6141  1434.59   43.033   15.035   41.123   18.875 1.910664 24.13099 
1 1 1   84    4    6 o  177.809   13.772 13280.25  1972.83 11425.65  2530.06 16157.07  3151.09  162.078   19.625  192.532   20.471 -30.45439 28.35828 
1 1 1   84    4    7 o   77.691   15.458  2626.40  940.800  3275.35  1148.17  1300.46  1641.20   86.491   16.955   61.533   23.536 24.95822 29.00770 
1 1 1   84    4    8 o  186.278   13.806 14631.28  2073.31 11706.76  2676.61 19018.20  3278.22  162.763   20.723  208.781   19.566 -46.01723 28.50055 
1 1 1   84    4    9 o  147.237   13.457  9177.94  1591.00  8259.52  2093.80 10432.72  2447.36  136.662   19.415  153.379   20.138 -16.71742 27.97293 
1 1 1   84    4   10 o   96.012   15.155  4010.56  1142.24  3870.39  1487.40  4212.06  1783.30   91.988   20.444   94.655   23.348 -2.666595 31.03397 
1 1 1   84    4   11 o   75.522   17.910  2590.79  1081.62  2148.32  1402.89  3239.30  1698.40   68.499   22.134   82.202   23.970 -13.70300 32.62596 
1 1 1   84    4   12 o  252.317   15.690 27792.44  3198.62 24544.85  4425.83 31343.52  4628.01  226.166   24.492  259.212   22.203 -33.04576 33.05803 
1 1 1   84    6    0 o   66.783   27.095  1170.83  2292.23   0.0000   0.0000  1170.83  2292.23  ?   ?    66.783   27.095 0.000000 27.09534 
1 1 1   84    6    1 o  112.941   31.125  6099.80  2945.86   0.0000   0.0000  6099.80  2945.86  ?   ?   112.941   31.125 0.000000 31.12490 
1 1 1   84    6    2 o  323.077   34.286 49750.70  8856.76   0.0000   0.0000 49750.70  8856.76  ?   ?   323.077   34.286 0.000000 34.28620 
1 1 1   84    6    3 o  307.842   32.649 44643.52  8036.29   0.0000   0.0000 44643.52  8036.29  ?   ?   307.842   32.649 0.000000 32.64899 
1 1 1   84    6    4 o  153.201   26.702 10737.78  3200.83   0.0000   0.0000 10737.78  3200.83  ?   ?   153.201   26.702 0.000000 26.70205 
1 1 1   84    6    5 o   42.267   14.771  676.683  624.256  509.853  658.677  2148.91  1956.69   39.876   14.990   72.602   26.075 -32.72526 30.07653 
1 1 1   84    6    6 o   74.257   14.600  2388.22  848.937  2192.83  941.129  3241.49  1966.73   70.599   16.682   84.194   26.082 -13.59486 30.96047 
1 1 1   84    6    7 o   66.655   15.275  1945.15  808.988  1571.36  904.029  3447.72  1812.54   59.964   17.489   86.403   24.634 -26.43930 30.21088 
1 1 1   84    6    8 o   75.189   14.488  2456.22  852.440  2065.49  996.560  3521.67  1645.65   68.109   17.816   87.384   22.912 -19.27520 29.02390 
1 1 1   84    6    9 o  153.729   13.221 10002.22  1634.18  7635.67  2017.40 14518.65  2786.96  131.012   19.564  181.605   19.191 -50.59239 27.40502 
1 1 1   84    6   10 o  112.445   13.596  5419.11  1216.09  3981.77  1461.10  8659.72  2193.90   93.399   19.877  138.706   20.062 -45.30696 28.24154 
1 1 1   84    6   11 o   54.267   15.912  1305.97  746.633  1039.57  865.430  2081.43  1476.54   50.233   17.400   67.572   22.744 -17.33876 28.63714 
1 1 1   84    6   12 o   54.839   21.981  983.988  1488.79 -12564.4600 12190.81  1189.11  1500.02   78.908   39.848   56.960   22.307 21.94825 45.66642 
1 1 1   84    8    0 o  181.116   33.888 15935.46  4800.38   0.0000   0.0000 15935.46  4800.38  ?   ?   181.116   33.888 0.000000 33.88801 
1 1 1   84    8    1 o   90.767   31.465  3739.11  2830.08   0.0000   0.0000  3739.11  2830.08  ?   ?    90.767   31.465 0.000000 31.46470 
1 1 1   84    8    2 o  101.598   31.618  4932.25  2886.48   0.0000   0.0000  4932.25  2886.48  ?   ?   101.598   31.618 0.000000 31.61752 
1 1 1   84    8    3 o   93.136   30.409  4038.23  2644.51   0.0000   0.0000  4038.23  2644.51  ?   ?    93.136   30.409 0.000000 30.40938 
1 1 1   84    8    4 o  222.537   29.416 23053.94  5184.93   0.0000   0.0000 23053.94  5184.93  ?   ?   222.537   29.416 0.000000 29.41574 
1 1 1   84    8    5 o  285.487   31.031 38496.05  7077.25   0.0000   0.0000 38496.05  7077.25  ?   ?   285.487   31.031 0.000000 31.03058 
1 1 1   84    8    6 o  172.072   27.751 13802.41  3745.42   0.0000   0.0000 13802.41  3745.42  ?   ?   172.072   27.751 0.000000 27.75126 
1 1 1   84    8    7 o  130.272   11.035  7089.44  1156.27  5634.56  1293.63 12869.35  2578.45  114.959   14.158  171.775   18.793 -56.81706 23.52957 
1 1 1   84    8    8 o  188.132   12.011 14834.91  1825.19 10967.23  2148.17 24874.61  3461.03  159.183   16.878  239.461   17.931 -80.27824 24.62437 
1 1 1   84    8    9 f   99.612   11.820  4204.46  937.369  3832.86  1048.73  5680.71  2090.28   94.207   14.147  109.804   24.106 -15.59641 27.95041 
1 1 1   84    8   10 o  170.571   12.174 12303.42  1675.05  8573.52  1983.20 21586.80  3128.76  138.941   18.002  221.715   17.522 -82.77357 25.12211 
1 1 1   84    8   11 o   86.844   27.875  3852.14  2227.95 10771.11 11336.66  3574.18  2272.26  108.636   50.940   83.920   28.215 24.71598 58.23181 
1 1 1   84    8   12 o  105.650   26.543  5768.66  2274.04 -12093.7002 12602.24  6369.86  2311.99   78.450   39.720  111.751   25.974 -33.30094 47.45837 
1 1 1   84   10    0 o   44.723   21.254 -2229.9360  2098.98   0.0000   0.0000 -2229.9360  2098.98  ?   ?    44.723   21.254 0.000000 21.25423 
1 1 1   84   10    1 o   34.389   16.873 -3019.1489  1612.98   0.0000   0.0000 -3019.1489  1612.98  ?   ?    34.389   16.873 0.000000 16.87310 
1 1 1   84   10    2 o  104.494   33.521  5360.25  3222.16   0.0000   0.0000  5360.25  3222.16  ?   ?   104.494   33.521 0.000000 33.52083 
1 1 1   84   10    3 o  145.489   31.705 10283.18  3639.49   0.0000   0.0000 10283.18  3639.49  ?   ?   145.489   31.705 0.000000 31.70451 
1 1 1   84   10    4 o  128.708   32.563  8201.14  3405.61   0.0000   0.0000  8201.14  3405.61  ?   ?   128.708   32.563 0.000000 32.56255 
1 1 1   84   10    5 f  139.437   30.974  9473.28  3415.64   0.0000   0.0000  9473.28  3415.64  ?   ?   139.437   30.974 0.000000 30.97405 
1 1 1   84   10    6 o  134.551   30.406  8847.88  3243.63   0.0000   0.0000  8847.88  3243.63  ?   ?   134.551   30.406 0.000000 30.40563 
1 1 1   84   10    7 o  235.350   30.235 26766.65  5644.20   0.0000   0.0000 26766.65  5644.20  ?   ?   235.350   30.235 0.000000 30.23511 
1 1 1   84   10    8 o  172.325   28.554 14371.67  3855.43 -5632.5552 13584.44 16124.16  4020.76   96.738   47.754  183.321   27.892 -86.58333 55.30291 
1 1 1   84   10    9 o  179.365   27.506 15614.36  3878.14 18259.97 14190.46 15400.81  4031.62  126.959   58.665  176.401   29.167 -49.44203 65.51510 
1 1 1   84   10   10 o   73.305   27.081  2457.75  2131.60  6847.38 11460.35  2300.45  2169.46  103.230   49.229   71.998   27.174 31.23222 56.23093 
1 1 1   84   10   11 f  130.088   29.395  8929.28  3031.80  6192.54 14991.57  9045.98  3095.77   97.815   48.615  130.444   29.871 -32.62956 57.05907 
1 1 1   84   12    0 o  151.258   38.047 12107.22  4668.50   0.0000   0.0000 12107.22  4668.50  ?   ?   151.258   38.047 0.000000 38.04708 
1 1 1   84   12    1 o   72.591   29.635  1588.10  2763.08   0.0000   0.0000  1588.10  2763.08  ?   ?    72.591   29.635 0.000000 29.63519 
1 1 1   84   12    2 o   59.441   26.018   45.708  2391.94   0.0000   0.0000   45.708  2391.94  ?   ?    59.441   26.018 0.000000 26.01778 
1 1 1   84   12    3 o  117.042   33.722  6965.33  3379.68   0.0000   0.0000  6965.33  3379.68  ?   ?   117.042   33.722 0.000000 33.72235 
1 1 1   84   12    4 o  146.998   33.116 10843.79  3857.75   0.0000   0.0000 10843.79  3857.75  ?   ?   146.998   33.116 0.000000 33.11575 
1 1 1   84   12    5 o  243.775   32.721 29355.20  6313.20   0.0000   0.0000 29355.20  6313.20  ?   ?   243.775   32.721 0.000000 32.72094 
1 1 1   84   12    6 o   56.381   24.917 -111.4626  2243.11   0.0000   0.0000 -111.4626  2243.11  ?   ?    56.381   24.917 0.000000 24.91739 
1 1 1   84   12    7 o   41.373   19.428 -1400.2010  1659.07   0.0000   0.0000 -1400.2010  1659.07  ?   ?    41.373   19.428 0.000000 19.42781 
1 1 1   84   12    8 o  145.679   29.201 10601.28  3333.76 11016.42 12963.98 10571.88  3449.78  114.886   54.062  144.321   30.399 -29.43447 62.02244 
1 1 1   84   12    9 o  106.273   30.431  5970.97  2759.76 -14000.7100 14481.31  6723.65  2811.28   85.443   43.181  113.276   30.065 -27.83284 52.61676 
1 1 1   84   12   10 o   83.012   28.855  3569.33  2380.86 -4967.9351 14924.16  3792.28  2411.75   89.196   44.923   85.087   29.066 4.109642 53.50605 
1 1 1   84   12   11 o   40.468   19.104 -1315.6090  1642.49 -15338.1299 15522.72 -1156.8320  1651.77   79.694   40.699   41.375   19.415 38.31858 45.09290 
1 1 1   84   14    0 o   89.754   35.306  3621.36  3772.49   0.0000   0.0000  3621.36  3772.49  ?   ?    89.754   35.306 0.000000 35.30635 
1 1 1   84   14    1 o  168.478   40.266 15677.49  5433.34   0.0000   0.0000 15677.49  5433.34  ?   ?   168.478   40.266 0.000000 40.26605 
1 1 1   84   14    2 o  206.770   37.003 22366.48  5984.40   0.0000   0.0000 22366.48  5984.40  ?   ?   206.770   37.003 0.000000 37.00326 
1 1 1   84   14    3 o  171.339   36.276 15407.74  4889.52   0.0000   0.0000 15407.74  4889.52  ?   ?   171.339   36.276 0.000000 36.27568 
1 1 1   84   14    4 o  123.668   37.327  8399.99  4062.05   0.0000   0.0000  8399.99  4062.05  ?   ?   123.668   37.327 0.000000 37.32666 
1 1 1   84   14    5 o   98.596   33.399  5029.40  3184.16   0.0000   0.0000  5029.40  3184.16  ?   ?    98.596   33.399 0.000000 33.39924 
1 1 1   84   14    6 o  167.240   33.559 14576.89  4398.62   0.0000   0.0000 14576.89  4398.62  ?   ?   167.240   33.559 0.000000 33.55890 
1 1 1   84   14    7 o   99.662   32.264  5295.00  2979.95   0.0000   0.0000  5295.00  2979.95  ?   ?    99.662   32.264 0.000000 32.26427 
1 1 1   84   14    8 o   76.577   29.286  2716.53  2540.63   0.0000   0.0000  2716.53  2540.63  ?   ?    76.577   29.286 0.000000 29.28563 
1 1 1   84   14    9 o   81.923   29.881  3479.56  2582.92  8801.75 14226.31  3298.15  2626.57  100.578   49.500   80.405   29.990 20.17321 57.87564 
1 1 1   84   14   10 o   54.652   24.607 -48.9268  2296.63  1628.64 14574.38 -91.6439  2325.69   89.272   44.887   54.699   24.683 34.57372 51.22605 
1 1 1   84   16    0 o   58.937   27.666 -1949.4390  3359.92   0.0000   0.0000 -1949.4390  3359.92  ?   ?    58.937   27.666 0.000000 27.66616 
1 1 1   84   16    1 o   81.415   33.605  2575.08  3602.17   0.0000   0.0000  2575.08  3602.17  ?   ?    81.415   33.605 0.000000 33.60522 
1 1 1   84   16    2 o   89.435   34.811  3863.02  3635.90   0.0000   0.0000  3863.02  3635.90  ?   ?    89.435   34.811 0.000000 34.81094 
1 1 1   84   16    3 o  184.849   39.505 19255.64  5749.46   0.0000   0.0000 19255.64  5749.46  ?   ?   184.849   39.505 0.000000 39.50457 
1 1 1   84   16    4 o  174.303   40.710 17690.77  5657.44   0.0000   0.0000 17690.77  5657.44  ?   ?   174.303   40.710 0.000000 40.71042 
1 1 1   84   16    5 o   69.725   29.630  1351.68  2927.43   0.0000   0.0000  1351.68  2927.43  ?   ?    69.725   29.630 0.000000 29.62992 
1 1 1   84   16    6 o  133.186   36.707 10284.66  4097.06   0.0000   0.0000 10284.66  4097.06  ?   ?   133.186   36.707 0.000000 36.70689 
1 1 1   84   16    7 o  ?   ?  -6332.3481  1402.38   0.0000   0.0000 -6332.3481  1402.38  ?   ?   ?   ?  0.000000      ? 
1 1 1   84   16    8 o   89.894   32.773  4604.02  3106.50   0.0000   0.0000  4604.02  3106.50  ?   ?    89.894   32.773 0.000000 32.77322 
1 1 1   84   16    9 o  115.662   36.503  8672.49  3832.96 32597.16 19661.07  7727.28  3907.94  107.413   53.740  107.662   36.994 -0.2490005 65.24252 
1 1 1   84   18    0 o  147.850   46.841 15491.01  6306.83   0.0000   0.0000 15491.01  6306.83  ?   ?   147.850   46.841 0.000000 46.84127 
1 1 1   84   18    1 o  110.256   40.392  7703.82  4726.95   0.0000   0.0000  7703.82  4726.95  ?   ?   110.256   40.392 0.000000 40.39209 
1 1 1   84   18    2 o   76.689   32.988  1981.09  3708.95   0.0000   0.0000  1981.09  3708.95  ?   ?    76.689   32.988 0.000000 32.98787 
1 1 1   84   18    3 o  208.624   43.967 27431.31  7212.94   0.0000   0.0000 27431.31  7212.94  ?   ?   208.624   43.967 0.000000 43.96690 
1 1 1   84   18    4 o  114.102   39.197  8287.15  4387.21   0.0000   0.0000  8287.15  4387.21  ?   ?   114.102   39.197 0.000000 39.19731 
1 1 1   84   18    5 o   69.724   30.439  1300.85  3255.17   0.0000   0.0000  1300.85  3255.17  ?   ?    69.724   30.439 0.000000 30.43936 
1 1 1   84   18    6 o   86.120   34.075  4148.88  3532.96   0.0000   0.0000  4148.88  3532.96  ?   ?    86.120   34.075 0.000000 34.07460 
1 1 1   84   18    7 o   95.818   35.421  5832.30  3647.99   0.0000   0.0000  5832.30  3647.99  ?   ?    95.818   35.421 0.000000 35.42117 
1 1 1   84   18    8 o  123.521   38.389 10561.71  4256.94   0.0000   0.0000 10561.71  4256.94  ?   ?   123.521   38.389 0.000000 38.38935 
1 1 1   84   20    0 o  136.705   49.578 16641.34  7095.55   0.0000   0.0000 16641.34  7095.55  ?   ?   136.705   49.578 0.000000 49.57789 
1 1 1   84   20    1 o   99.310   40.233  6853.58  5045.92   0.0000   0.0000  6853.58  5045.92  ?   ?    99.310   40.233 0.000000 40.23298 
1 1 1   84   20    2 o   61.507   28.869 -1097.0240  3655.94   0.0000   0.0000 -1097.0240  3655.94  ?   ?    61.507   28.869 0.000000 28.86855 
1 1 1   84   20    3 o   63.934   29.619 -323.1234  3652.19   0.0000   0.0000 -323.1234  3652.19  ?   ?    63.934   29.619 0.000000 29.61913 
1 1 1   84   20    4 o   75.518   33.171  2329.35  3918.11   0.0000   0.0000  2329.35  3918.11  ?   ?    75.518   33.171 0.000000 33.17057 
1 1 1   84   20    5 o   79.101   34.102  3250.76  3981.53   0.0000   0.0000  3250.76  3981.53  ?   ?    79.101   34.102 0.000000 34.10163 
1 1 1   84   20    6 o   50.620   24.410 -2470.1780  2998.04   0.0000   0.0000 -2470.1780  2998.04  ?   ?    50.620   24.410 0.000000 24.40994 
1 1 1   84   22    0 o  101.591   44.396 10912.85  6939.74   0.0000   0.0000 10912.85  6939.74  ?   ?   101.591   44.396 0.000000 44.39563 
1 1 1   84   22    1 o   60.459   29.167 -2027.9580  4290.62   0.0000   0.0000 -2027.9580  4290.62  ?   ?    60.459   29.167 0.000000 29.16655 
1 1 1   84   22    2 o   52.832   25.896 -3831.5039  3769.50   0.0000   0.0000 -3831.5039  3769.50  ?   ?    52.832   25.896 0.000000 25.89634 
1 1 1   84   22    3 o   87.247   38.005  5806.61  5049.38   0.0000   0.0000  5806.61  5049.38  ?   ?    87.247   38.005 0.000000 38.00515 
1 1 1   84   22    4 o   38.484   19.446 -7552.3071  2930.04   0.0000   0.0000 -7552.3071  2930.04  ?   ?    38.484   19.446 0.000000 19.44591 
1 1 1   84   24    0 o   60.600   30.121 -3369.5940  5759.05   0.0000   0.0000 -3369.5940  5759.05  ?   ?    60.600   30.121 0.000000 30.12125 
1 1 1   84   24    1 f   90.239   41.210 10354.50  6724.00   0.0000   0.0000 10354.50  6724.00  ?   ?    90.239   41.210 0.000000 41.20983 
1 1 1   85    1    0 o  283.203   20.921 34735.34  4776.82 43261.97  6695.60 25896.96  6816.91  310.130   26.854  228.848   38.020 81.28238 46.54793 
1 1 1   85    1    1 o  207.328   17.842 18343.93  2974.27 19580.37  4013.79 16838.22  4429.34  210.312   23.931  190.904   29.528 19.40788 38.00762 
1 1 1   85    1    2 o  172.834   16.345 12678.29  2266.51 14244.10  3099.89 10879.71  3322.32  180.501   21.579  154.058   27.572 26.44360 35.01207 
1 1 1   85    1    3 o  221.231   16.572 20741.40  2955.27 20447.83  4051.71 21075.12  4319.94  215.159   23.578  217.470   24.914 -2.310593 34.30230 
1 1 1   85    1    4 o   65.401   18.120  1875.75  995.374  1443.40  1311.77  2462.57  1528.23   60.580   21.393   74.636   22.970 -14.05597 31.38880 
1 1 1   85    1    5 f  206.450   15.067 17975.00  2508.19 18390.60  3430.00 17497.36  3677.11  205.416   20.854  198.729   23.226 6.686661 31.21433 
1 1 1   85    1    6 o   73.815   20.113  2430.97  1238.34  2430.97  1238.34   0.0000   0.0000   73.815   20.113  ?   ?  0.000000 20.11334 
1 1 1   85    1    7 o  205.352   14.514 17799.51  2404.40 17353.12  3338.33 18280.69  3465.94  198.700   21.010  203.806   21.257 -5.105759 29.88803 
1 1 1   85    1    8 o  133.552   13.184  7533.37  1411.00  4884.85  1921.37 10633.75  2078.82  102.928   23.506  157.273   16.526 -54.34488 28.73395 
1 1 1   85    1    9 o  114.798   13.688  5618.96  1250.70  5679.43  1728.83  5552.57  1811.59  112.757   19.594  110.797   20.903 1.960281 28.65100 
1 1 1   85    1   10 o  101.320   15.354  4470.54  1223.56  6122.66  1789.64  3020.48  1676.63  116.668   19.586   80.099   23.937 36.56869 30.92872 
1 1 1   85    1   11 o   86.446   16.107  3321.69  1088.95  4779.05  1619.02  2117.78  1471.53  101.841   20.292   68.119   22.706 33.72194 30.45143 
1 1 1   85    1   12 o  148.974   14.155  9622.55  1691.69  9985.74  2308.66  9201.42  2486.00  147.551   19.767  139.039   22.812 8.511322 30.18453 
1 1 1   85    3    0 o  188.666   11.103 14756.33  1693.37 14725.36  1861.18 14905.25  4080.73  188.045   12.257  179.558   28.976 8.486588 31.46152 
1 1 1   85    3    1 o  336.485   30.987 52505.87  8370.89 52505.87  8370.89   0.0000   0.0000  336.485   30.987  ?   ?  0.000000 30.98669 
1 1 1   85    3    2 o  290.972   26.721 38076.86  6242.51 38076.86  6242.51   0.0000   0.0000  290.972   26.721  ?   ?  0.000000 26.72080 
1 1 1   85    3    3 o   76.316   19.010  2579.91  1173.57  2579.91  1173.57   0.0000   0.0000   76.316   19.010  ?   ?  0.000000 19.00987 
1 1 1   85    3    4 o  197.883   15.081 16513.32  2404.95 15680.75  3075.35 17824.00  3858.62  190.014   20.245  199.988   24.259 -9.973602 31.59656 
1 1 1   85    3    5 f  199.710   14.799 16813.33  2382.64 16898.93  3109.63 16691.64  3707.87  197.500   19.652  193.280   24.154 4.219147 31.13861 
1 1 1   85    3    6 o  102.153   13.983  4441.03  1129.33  4302.79  1419.38  4679.54  1864.33   98.973   18.337  101.350   23.161 -2.376884 29.54137 
1 1 1   85    3    7 o   85.300   15.508  3158.37  1034.52  2303.04  1261.82  4912.13  1806.83   71.752   20.586  104.133   22.056 -32.38065 30.16977 
1 1 1   85    3    8 o  156.740   13.485 10375.63  1699.43  9052.67  2223.58 12233.79  2635.24  143.289   19.628  166.726   19.857 -23.43686 27.92015 
1 1 1   85    3    9 o  134.001   13.295  7617.79  1427.47  6583.51  1909.06  8929.36  2149.81  121.224   20.099  142.125   19.114 -20.90159 27.73649 
1 1 1   85    3   10 o   58.791   22.062  1315.06  1425.67 -13884.7598  9901.75  1636.83  1440.68   76.136   38.099   62.594   22.386 13.54284 44.18867 
1 1 1   85    3   11 o  113.539   15.216  5632.29  1367.48  4274.05  1873.32  7181.65  2000.79   93.763   24.379  125.200   20.383 -31.43719 31.77718 
1 1 1   85    3   12 o   82.200   17.667  3097.30  1144.08  4029.13  1658.94  2252.16  1579.89   91.154   22.540   69.108   23.526 22.04620 32.58102 
1 1 1   85    5    0 o  112.373   11.891  5289.20  1068.49  5578.55  1148.41  3424.61  2915.23  115.265   12.469   88.431   31.820 26.83433 34.17621 
1 1 1   85    5    1 o   73.749   10.130  2281.32  590.559  2041.06  611.842  5555.60  2258.71   69.426   11.238  109.795   25.777 -40.36859 28.12017 
1 1 1   85    5    2 o  138.944   11.117  8028.17  1243.64  8100.81  1360.95  7660.47  3062.00  139.255   12.158  126.976   30.149 12.27898 32.50821 
1 1 1   85    5    3 o  112.354   13.570  5334.46  1212.87  4776.82  1397.08  7040.72  2443.81  105.091   16.949  124.236   25.090 -19.14520 30.27838 
1 1 1   85    5    4 o   77.979   14.943  2630.01  911.719  2444.63  1001.88  3523.12  2199.04   74.608   16.927   87.665   27.647 -13.05668 32.41722 
1 1 1   85    5    5 o  242.469   15.798 24898.81  3093.36 21834.08  3969.12 29640.23  4936.88  222.524   22.266  258.091   23.827 -35.56737 32.61166 
1 1 1   85    5    6 o  108.752   13.940  5027.94  1202.60  5068.18  1428.65  4930.10  2227.72  108.133   16.818  102.491   26.554 5.641869 31.43209 
1 1 1   85    5    7 o   32.717   14.004   6.8292  662.591 -590.0266  744.463  2281.49  1453.34   28.851   13.368   71.569   22.462 -42.71867 26.13882 
1 1 1   85    5    8 o   94.901   14.841  3888.96  1106.14  2625.35  1338.05  6616.52  1965.86   75.980   20.992  121.489   20.669 -45.50863 29.45977 
1 1 1   85    5    9 f   75.972   16.421  2561.05  983.430  2568.31  1163.59  2542.90  1839.89   75.288   19.026   74.881   25.388 0.4075928 31.72624 
1 1 1   85    5   10 o   53.764   16.800  1259.07  814.038  1610.44  951.197  297.396  1573.63   60.075   18.047   50.635   21.625 9.439812 28.16658 
1 1 1   85    5   11 o   65.710   17.071  1961.97  919.030  1710.69  1145.73  2415.38  1539.05   61.644   20.010   71.627   23.187 -9.982269 30.62761 
1 1 1   85    5   12 o  120.728   13.728  6339.31  1321.76  4092.41  1679.06 10000.38  2143.28   91.516   22.705  148.547   18.147 -57.03105 29.06581 
1 1 1   85    7    0 o   86.436   31.418  3248.15  2851.90   0.0000   0.0000  3248.15  2851.90  ?   ?    86.436   31.418 0.000000 31.41837 
1 1 1   85    7    1 o   69.662   27.009  1675.35  2182.23   0.0000   0.0000  1675.35  2182.23  ?   ?    69.662   27.009 0.000000 27.00937 
1 1 1   85    7    2 o  108.384   31.510  5682.40  2938.84   0.0000   0.0000  5682.40  2938.84  ?   ?   108.384   31.510 0.000000 31.50956 
1 1 1   85    7    3 o  146.385   30.256 10190.86  3477.29   0.0000   0.0000 10190.86  3477.29  ?   ?   146.385   30.256 0.000000 30.25560 
1 1 1   85    7    4 o  158.929   28.291 11786.41  3516.96   0.0000   0.0000 11786.41  3516.96  ?   ?   158.929   28.291 0.000000 28.29068 
1 1 1   85    7    5 o  151.103   29.683 10857.33  3511.90   0.0000   0.0000 10857.33  3511.90  ?   ?   151.103   29.683 0.000000 29.68293 
1 1 1   85    7    6 o   83.085   12.390  2935.07  810.305  2613.67  867.142  5148.47  2275.60   77.761   14.259  104.363   26.735 -26.60179 30.29980 
1 1 1   85    7    7 f  180.237   12.935 13663.74  1880.43 10884.24  2245.13 20195.91  3441.82  158.315   17.773  214.440   19.998 -56.12556 26.75395 
1 1 1   85    7    8 o  164.155   12.269 11332.15  1623.55  8935.75  1944.26 16852.50  2950.94  143.354   17.037  196.124   18.759 -52.77029 25.34125 
1 1 1   85    7    9 o   79.543   14.289  2757.86  888.941  2155.75  971.265  5864.78  2206.31   69.255   17.318  110.808   25.104 -41.55306 30.49739 
1 1 1   85    7   10 o   88.537   13.845  3405.64  962.681  2780.33  1071.43  6025.42  2193.04   78.474   17.282  111.683   24.827 -33.20932 30.24986 
1 1 1   85    7   11 o  124.018   24.005  7443.16  2329.93 -659.3531 13606.70  7687.91  2364.85   92.920   46.204  126.120   23.969 -33.19978 52.05143 
1 1 1   85    9    0 o  195.527   34.419 18858.65  5264.84   0.0000   0.0000 18858.65  5264.84  ?   ?   195.527   34.419 0.000000 34.41899 
1 1 1   85    9    1 o  142.752   33.226 10071.66  3779.06   0.0000   0.0000 10071.66  3779.06  ?   ?   142.752   33.226 0.000000 33.22625 
1 1 1   85    9    2 o  147.263   33.710 10752.04  3943.79   0.0000   0.0000 10752.04  3943.79  ?   ?   147.263   33.710 0.000000 33.71018 
1 1 1   85    9    3 o  155.546   32.647 11845.69  3991.86   0.0000   0.0000 11845.69  3991.86  ?   ?   155.546   32.647 0.000000 32.64711 
1 1 1   85    9    4 o  208.104   29.912 20501.32  4909.00   0.0000   0.0000 20501.32  4909.00  ?   ?   208.104   29.912 0.000000 29.91155 
1 1 1   85    9    5 o  303.370   33.585 45112.18  8134.08   0.0000   0.0000 45112.18  8134.08  ?   ?   303.370   33.585 0.000000 33.58496 
1 1 1   85    9    6 o  256.220   31.003 31681.43  6318.70   0.0000   0.0000 31681.43  6318.70  ?   ?   256.220   31.003 0.000000 31.00295 
1 1 1   85    9    7 o  292.739   32.750 42527.27  7651.19   0.0000   0.0000 42527.27  7651.19  ?   ?   292.739   32.750 0.000000 32.75037 
1 1 1   85    9    8 o  239.395   14.703 24458.66  2844.12 25330.97 11370.38 24400.44  2937.50  164.085   62.144  238.683   15.237 -74.59822 63.98420 
1 1 1   85    9    9 o   29.736   10.134  342.023  293.178  377.440  296.727 -1112.0260  1901.28   30.777   10.193   46.097   21.361 -15.32001 23.66821 
1 1 1   85    9   10 o  180.026   27.359 16043.38  3873.31 19450.07 15505.63 15816.65  4000.12  118.427   56.691  177.073   28.812 -58.64596 63.59219 
1 1 1   85    9   11 o   68.162   26.455  2026.95  2095.21 20370.49 12452.41  1492.50  2125.52  119.250   55.050   63.918   26.032 55.33195 60.89491 
1 1 1   85   11    0 o  190.635   37.250 18767.81  5559.08   0.0000   0.0000 18767.81  5559.08  ?   ?   190.635   37.250 0.000000 37.24950 
1 1 1   85   11    1 o   42.921   20.829 -3346.1941  2271.58   0.0000   0.0000 -3346.1941  2271.58  ?   ?    42.921   20.829 0.000000 20.82885 
1 1 1   85   11    2 o   82.095   30.827  2863.85  2784.47   0.0000   0.0000  2863.85  2784.47  ?   ?    82.095   30.827 0.000000 30.82730 
1 1 1   85   11    3 o  157.980   33.404 12470.90  4150.97   0.0000   0.0000 12470.90  4150.97  ?   ?   157.980   33.404 0.000000 33.40428 
1 1 1   85   11    4 o  127.902   32.799  8256.28  3422.57   0.0000   0.0000  8256.28  3422.57  ?   ?   127.902   32.799 0.000000 32.79947 
1 1 1   85   11    5 o  150.733   31.289 11229.61  3704.06   0.0000   0.0000 11229.61  3704.06  ?   ?   150.733   31.289 0.000000 31.28860 
1 1 1   85   11    6 o  156.005   30.282 11973.34  3697.47   0.0000   0.0000 11973.34  3697.47  ?   ?   156.005   30.282 0.000000 30.28154 
1 1 1   85   11    7 o  108.504   32.527  6141.20  3092.28   0.0000   0.0000  6141.20  3092.28  ?   ?   108.504   32.527 0.000000 32.52673 
1 1 1   85   11    8 o   56.054   24.987 -158.1414  2304.47   0.0000   0.0000 -158.1414  2304.47  ?   ?    56.054   24.987 0.000000 24.98722 
1 1 1   85   11    9 o  121.648   31.431  7891.68  3126.82 32552.92 13262.45  6440.20  3217.52  156.533   64.532  107.745   33.357 48.78819 72.64351 
1 1 1   85   11   10 o   76.294   27.401  2870.17  2160.72 -19072.2500 14986.50  3335.98  2183.54   80.113   40.832   80.871   27.657 -0.7576752 49.31707 
1 1 1   85   13    0 o  116.433   38.574  7484.21  4249.51   0.0000   0.0000  7484.21  4249.51  ?   ?   116.433   38.574 0.000000 38.57413 
1 1 1   85   13    1 o   45.929   21.962 -2559.8511  2313.06   0.0000   0.0000 -2559.8511  2313.06  ?   ?    45.929   21.962 0.000000 21.96181 
1 1 1   85   13    2 o   75.971   30.787  2014.67  2955.54   0.0000   0.0000  2014.67  2955.54  ?   ?    75.971   30.787 0.000000 30.78668 
1 1 1   85   13    3 o   89.057   34.011  3657.91  3423.62   0.0000   0.0000  3657.91  3423.62  ?   ?    89.057   34.011 0.000000 34.01069 
1 1 1   85   13    4 o   71.374   29.260  1606.87  2707.71   0.0000   0.0000  1606.87  2707.71  ?   ?    71.374   29.260 0.000000 29.26013 
1 1 1   85   13    5 o   40.044   19.302 -2451.7141  1869.77   0.0000   0.0000 -2451.7141  1869.77  ?   ?    40.044   19.302 0.000000 19.30157 
1 1 1   85   13    6 o  118.395   32.982  7419.95  3288.41   0.0000   0.0000  7419.95  3288.41  ?   ?   118.395   32.982 0.000000 32.98170 
1 1 1   85   13    7 o   92.147   32.571  4432.91  3041.42   0.0000   0.0000  4432.91  3041.42  ?   ?    92.147   32.571 0.000000 32.57092 
1 1 1   85   13    8 o  108.515   35.602  6834.57  3623.06   0.0000   0.0000  6834.57  3623.06  ?   ?   108.515   35.602 0.000000 35.60161 
1 1 1   85   13    9 o   41.280   20.129 -3137.2400  2192.01 -386.2169 15513.02 -3193.2871  2214.22   92.777   46.603   41.385   20.191 51.39212 50.78864 
1 1 1   85   13   10 o   88.297   31.355  4443.33  2821.75 -5153.6582 15219.19  4784.98  2871.53   85.143   43.168   91.052   31.687 -5.909271 53.54914 
1 1 1   85   15    0 o  104.502   39.025  6135.74  4450.17   0.0000   0.0000  6135.74  4450.17  ?   ?   104.502   39.025 0.000000 39.02466 
1 1 1   85   15    1 o  203.315   41.146 23487.50  6559.36   0.0000   0.0000 23487.50  6559.36  ?   ?   203.315   41.146 0.000000 41.14554 
1 1 1   85   15    2 o  109.826   37.446  6762.62  4002.79   0.0000   0.0000  6762.62  4002.79  ?   ?   109.826   37.446 0.000000 37.44616 
1 1 1   85   15    3 f  259.019   40.415 37680.61  8222.29   0.0000   0.0000 37680.61  8222.29  ?   ?   259.019   40.415 0.000000 40.41457 
1 1 1   85   15    4 o   98.577   35.265  5240.71  3575.63   0.0000   0.0000  5240.71  3575.63  ?   ?    98.577   35.265 0.000000 35.26498 
1 1 1   85   15    5 o   81.591   32.107  3034.24  3120.87   0.0000   0.0000  3034.24  3120.87  ?   ?    81.591   32.107 0.000000 32.10713 
1 1 1   85   15    6 o   73.330   29.886  2103.05  2803.98   0.0000   0.0000  2103.05  2803.98  ?   ?    73.330   29.886 0.000000 29.88577 
1 1 1   85   15    7 o  159.016   35.482 14313.98  4464.97   0.0000   0.0000 14313.98  4464.97  ?   ?   159.016   35.482 0.000000 35.48181 
1 1 1   85   15    8 o   95.440   32.999  5263.27  3111.83   0.0000   0.0000  5263.27  3111.83  ?   ?    95.440   32.999 0.000000 32.99894 
1 1 1   85   15    9 o   63.560   28.017  900.866  2817.91   82.479 18586.94  920.119  2850.86   89.170   45.450   63.868   28.165 25.30207 53.46990 
1 1 1   85   17    0 o  112.946   42.184  8366.30  5200.23   0.0000   0.0000  8366.30  5200.23  ?   ?   112.946   42.184 0.000000 42.18390 
1 1 1   85   17    1 o   53.543   25.538 -2575.8049  3086.65   0.0000   0.0000 -2575.8049  3086.65  ?   ?    53.543   25.538 0.000000 25.53788 
1 1 1   85   17    2 f  128.758   41.254 10527.08  4881.46   0.0000   0.0000 10527.08  4881.46  ?   ?   128.758   41.254 0.000000 41.25396 
1 1 1   85   17    3 o  197.375   42.887 24037.94  6676.71   0.0000   0.0000 24037.94  6676.71  ?   ?   197.375   42.887 0.000000 42.88691 
1 1 1   85   17    4 o   78.152   32.715  2510.02  3483.24   0.0000   0.0000  2510.02  3483.24  ?   ?    78.152   32.715 0.000000 32.71535 
1 1 1   85   17    5 o   83.814   33.671  3568.14  3502.17   0.0000   0.0000  3568.14  3502.17  ?   ?    83.814   33.671 0.000000 33.67091 
1 1 1   85   17    6 o  112.641   37.497  8071.79  4013.78   0.0000   0.0000  8071.79  4013.78  ?   ?   112.641   37.497 0.000000 37.49717 
1 1 1   85   17    7 f   65.423   28.544  1145.71  2858.27   0.0000   0.0000  1145.71  2858.27  ?   ?    65.423   28.544 0.000000 28.54359 
1 1 1   85   17    8 o   62.213   27.548  830.094  2754.64   0.0000   0.0000  830.094  2754.64  ?   ?    62.213   27.548 0.000000 27.54803 
1 1 1   85   19    0 o   86.907   38.187  3954.70  5196.70   0.0000   0.0000  3954.70  5196.70  ?   ?    86.907   38.187 0.000000 38.18650 
1 1 1   85   19    1 o   97.406   39.433  6230.53  4843.67   0.0000   0.0000  6230.53  4843.67  ?   ?    97.406   39.433 0.000000 39.43343 
1 1 1   85   19    2 o  142.612   45.496 15188.87  5941.88   0.0000   0.0000 15188.87  5941.88  ?   ?   142.612   45.496 0.000000 45.49609 
1 1 1   85   19    3 o   62.238   28.893 -610.3962  3501.72   0.0000   0.0000 -610.3962  3501.72  ?   ?    62.238   28.893 0.000000 28.89319 
1 1 1   85   19    4 o   89.949   36.647  5000.84  4214.65   0.0000   0.0000  5000.84  4214.65  ?   ?    89.949   36.647 0.000000 36.64743 
1 1 1   85   19    5 o   58.535   26.591   4.5924  2753.16   0.0000   0.0000   4.5924  2753.16  ?   ?    58.535   26.591 0.000000 26.59086 
1 1 1   85   19    6 o   54.040   25.590 -1458.9659  2989.39   0.0000   0.0000 -1458.9659  2989.39  ?   ?    54.040   25.590 0.000000 25.58966 
1 1 1   85   21    0 o   77.522   36.166  2348.38  5595.36   0.0000   0.0000  2348.38  5595.36  ?   ?    77.522   36.166 0.000000 36.16612 
1 1 1   85   21    1 o   56.157   27.325 -3221.0249  3978.89   0.0000   0.0000 -3221.0249  3978.89  ?   ?    56.157   27.325 0.000000 27.32456 
1 1 1   85   21    2 o   54.068   26.343 -3352.2739  3733.64   0.0000   0.0000 -3352.2739  3733.64  ?   ?    54.068   26.343 0.000000 26.34346 
1 1 1   85   21    3 f   80.349   35.644  3779.23  4632.55   0.0000   0.0000  3779.23  4632.55  ?   ?    80.349   35.644 0.000000 35.64440 
1 1 1   85   21    4 o   55.534   26.769 -2192.4900  3597.30   0.0000   0.0000 -2192.4900  3597.30  ?   ?    55.534   26.769 0.000000 26.76925 
1 1 1   85   21    5 f   76.991   34.346  3471.35  4362.61   0.0000   0.0000  3471.35  4362.61  ?   ?    76.991   34.346 0.000000 34.34585 
1 1 1   85   23    0 o   59.399   29.487 -3999.4431  5451.71   0.0000   0.0000 -3999.4431  5451.71  ?   ?    59.399   29.487 0.000000 29.48693 
1 1 1   85   23    1 o   48.508   24.304 -6516.5562  4088.69   0.0000   0.0000 -6516.5562  4088.69  ?   ?    48.508   24.304 0.000000 24.30402 
1 1 1   85   23    2 o   52.085   25.825 -4514.0610  4132.50   0.0000   0.0000 -4514.0610  4132.50  ?   ?    52.085   25.825 0.000000 25.82478 
1 1 1   86    0    0 o   74.851   35.541  3700.45  2459.09   0.0000   0.0000  3700.45  2459.09   74.851   35.541   74.851   35.541 0.000000 0.000000 
1 1 1   86    0    1 o  154.092   27.664 11136.92  3129.44   0.0000   0.0000 11136.92  3129.44  154.092   27.664  154.092   27.664 0.000000 0.000000 
1 1 1   86    0    2 o  123.136   28.834  7491.45  2505.48   0.0000   0.0000  7491.45  2505.48  123.136   28.834  123.136   28.834 0.000000 0.000000 
1 1 1   86    0    3 o  157.466   24.047 11318.87  2861.71   0.0000   0.0000 11318.87  2861.71  157.466   24.047  157.466   24.047 0.000000 0.000000 
1 1 1   86    0    4 o   70.463   28.559  2997.95  1599.60   0.0000   0.0000  2997.95  1599.60   70.463   28.559   70.463   28.559 0.000000 0.000000 
1 1 1   86    0    5 o  204.793   22.890 18764.51  3684.43   0.0000   0.0000 18764.51  3684.43  204.793   22.890  204.793   22.890 0.000000 0.000000 
1 1 1   86    0    6 o   50.616   25.227  1671.81  1259.91   0.0000   0.0000  1671.81  1259.91   50.616   25.227   50.616   25.227 0.000000 0.000000 
1 1 1   86    0    8 o   27.145   17.765 -34.8931  970.107   0.0000   0.0000 -34.8931  970.107   27.145   17.765   27.145   17.765 0.000000 0.000000 
1 1 1   86    0    9 o  152.214   20.278 10651.74  2381.73 12539.78 11503.64 10567.18  2434.48   85.699   57.692  150.969   21.027 0.000000 0.000000 
1 1 1   86    0   10 f   28.021   18.249   57.990  1005.26 -4789.9521  9252.11  115.905  1011.25   54.526   39.463   28.608   18.509 0.000000 0.000000 
1 1 1   86    0   11 o   31.827   20.764  171.509  1309.77 -16056.7305 10105.12  448.799  1320.91   45.563   33.731   34.137   21.720 0.000000 0.000000 
1 1 1   86    0   12 o   60.539   29.600  2870.58  1721.04 22249.15 12784.69  2512.92  1736.85   74.701   52.705   55.622   29.162 0.000000 0.000000 
1 1 1   86    2    0 o  185.932   18.127 14847.60  2701.83 16307.38  3643.23 13063.61  4027.53  191.184   23.998  166.023   31.017 25.16084 39.21684 
1 1 1   86    2    1 o   81.088   20.859  2945.77  1381.19  3436.89  1652.26  1806.39  2516.64   87.054   23.022   73.381   28.846 13.67286 36.90680 
1 1 1   86    2    2 o  110.288   16.344  5230.31  1419.34  4536.15  1835.52  6262.63  2238.40  100.048   23.067  117.398   24.283 -17.35007 33.49287 
1 1 1   86    2    3 o  168.680   15.291 12043.63  2071.55  8978.50  2674.55 16639.68  3275.05  141.135   24.210  195.191   20.994 -54.05544 32.04541 
1 1 1   86    2    4 o   34.981   15.243 -105.5680  812.797 -105.5680  812.797   0.0000   0.0000   34.981   15.243  ?   ?  0.000000 15.24263 
1 1 1   86    2    5 o  116.614   18.258  5928.50  1672.10  5928.50  1672.10   0.0000   0.0000  116.614   18.258  ?   ?  0.000000 18.25830 
1 1 1   86    2    6 o  193.616   14.372 15821.34  2243.24 13112.72  2995.95 19277.59  3384.25  171.869   21.971  210.178   20.075 -38.30821 29.76121 
1 1 1   86    2    7 o  107.484   14.139  4930.73  1203.99  3673.47  1558.31  6792.83  1896.46   89.808   21.628  124.035   19.472 -34.22709 29.10182 
1 1 1   86    2    8 o   91.908   14.939  3656.65  1076.54  4851.56  1439.19  2138.74  1622.08  105.086   17.481   69.995   23.838 35.09103 29.56050 
1 1 1   86    2    9 o  161.574   20.166 11653.17  2588.04  4178.86 12339.24 11997.10  2646.91  107.974   51.378  163.848   20.333 -55.87414 55.25484 
1 1 1   86    2   10 o   48.804   17.819  901.694  918.832  329.901  1274.20  1521.12  1326.21   46.847   19.708   60.321   21.488 -13.47326 29.15728 
1 1 1   86    2   11 o   87.675   16.295  3436.87  1117.33  1640.42  1533.67  5468.87  1631.12   62.400   22.985  109.510   19.035 -47.10995 29.84377 
1 1 1   86    2   12 o  182.190   14.556 14474.82  2135.30 13575.29  2971.63 15435.10  3070.32  169.093   22.178  181.438   21.243 -12.34523 30.71078 
1 1 1   86    4    0 o  204.306   11.733 17360.61  1938.24 16510.89  2125.36 21558.83  4724.19  198.572   13.258  217.039   27.419 -18.46687 30.45605 
1 1 1   86    4    1 o  259.567   13.757 28215.76  2889.03 28588.04  3262.85 26864.60  6216.05  260.205   15.514  236.878   33.233 23.32765 36.67580 
1 1 1   86    4    2 o   38.752   14.916  436.378  661.796  652.933  708.411 -1048.5400  1855.04   42.991   15.654   46.844   21.487 -3.853329 26.58429 
1 1 1   86    4    3 o  118.755   14.027  5972.61  1326.41  5989.15  1576.95  5932.58  2452.49  117.828   16.973  112.662   27.133 5.165123 32.00418 
1 1 1   86    4    4 o  117.452   14.138  5851.31  1321.24  5271.84  1551.08  7383.53  2522.22  109.966   17.994  126.835   25.377 -16.86870 31.10904 
1 1 1   86    4    5 o  323.838   22.452 46247.87  5867.27 63208.75  7926.51 25692.29  8726.15  373.380   26.314  206.691   52.031 166.6886 58.30660 
1 1 1   86    4    6 o  181.082   14.311 13856.83  2087.00 13388.70  2677.50 14581.57  3331.47  175.337   19.117  180.220   23.313 -4.882584 30.14850 
1 1 1   86    4    7 o   79.353   15.525  2750.72  964.509  2417.20  1149.08  3546.05  1774.45   73.390   19.099   87.358   24.189 -13.96769 30.82033 
1 1 1   86    4    8 o  263.104   16.503 29731.34  3507.83 24223.91  4730.06 36461.96  5229.02  228.471   25.958  284.583   22.821 -56.11249 34.56366 
1 1 1   86    4    9 o   98.671   15.186  4235.34  1177.68  2779.24  1517.38  6441.15  1867.60   77.295   22.690  119.588   19.935 -42.29274 30.20367 
1 1 1   86    4   10 o   72.489   17.573  2381.82  1023.60  2610.30  1307.65  2020.30  1644.85   74.910   20.773   67.640   23.948 7.269753 31.70237 
1 1 1   86    4   11 o  137.106   14.030  8133.64  1539.85  6560.61  2080.59 10038.87  2289.77  117.438   22.640  148.493   19.459 -31.05522 29.85349 
1 1 1   86    6    0 o  145.739   33.480 10468.30  3878.47   0.0000   0.0000 10468.30  3878.47  ?   ?   145.739   33.480 0.000000 33.47953 
1 1 1   86    6    1 o  128.123   32.311  8035.04  3360.85   0.0000   0.0000  8035.04  3360.85  ?   ?   128.123   32.311 0.000000 32.31146 
1 1 1   86    6    2 o   82.073   29.114  2927.92  2432.14   0.0000   0.0000  2927.92  2432.14  ?   ?    82.073   29.114 0.000000 29.11380 
1 1 1   86    6    3 o   57.799   23.389  835.600  1703.16   0.0000   0.0000  835.600  1703.16  ?   ?    57.799   23.389 0.000000 23.38883 
1 1 1   86    6    4 o  133.795   27.542  8387.13  2892.33   0.0000   0.0000  8387.13  2892.33  ?   ?   133.795   27.542 0.000000 27.54169 
1 1 1   86    6    5 o   97.891   13.915  4090.39  1074.88  3168.17  1188.63  8228.80  2517.95   84.642   17.857  134.450   23.942 -49.80846 29.86793 
1 1 1   86    6    6 o  133.068   13.120  7475.94  1399.09  5413.27  1635.69 13099.05  2700.70  110.716   18.872  172.880   19.585 -62.16421 27.19769 
1 1 1   86    6    7 o  151.490   13.380  9705.23  1628.88  8358.63  1969.57 12619.61  2897.51  138.314   17.961  167.786   21.782 -29.47261 28.23248 
1 1 1   86    6    8 o   15.890   7.9201 -1052.1990  409.768 -1001.3650  439.178 -1394.0670  1138.92   17.134   8.4815   32.366   15.458 -15.23278 17.63218 
1 1 1   86    6    9 o  114.754   13.381  5635.53  1223.38  4567.25  1449.27  8283.84  2281.88  100.907   18.365  134.501   21.627 -33.59442 28.37279 
1 1 1   86    6   10 o   26.776   12.211 -336.1736  587.721 -236.1414  650.701 -779.1811  1369.36   29.444   13.190   39.788   18.328 -10.34411 22.58089 
1 1 1   86    6   11 o   62.957   24.139  1626.24  1728.89 -17395.2402 13168.13  1959.89  1743.98   77.959   39.591   66.383   24.501 11.57575 46.55872 
1 1 1   86    8    0 o  124.637   34.119  7841.13  3553.78   0.0000   0.0000  7841.13  3553.78  ?   ?   124.637   34.119 0.000000 34.11919 
1 1 1   86    8    1 f  180.680   32.625 15884.85  4610.21   0.0000   0.0000 15884.85  4610.21  ?   ?   180.680   32.625 0.000000 32.62548 
1 1 1   86    8    2 o  242.198   33.257 28496.92  6367.62   0.0000   0.0000 28496.92  6367.62  ?   ?   242.198   33.257 0.000000 33.25721 
1 1 1   86    8    3 o  166.886   30.439 13329.74  3972.65   0.0000   0.0000 13329.74  3972.65  ?   ?   166.886   30.439 0.000000 30.43873 
1 1 1   86    8    4 f   59.447   24.289  860.528  1857.89   0.0000   0.0000  860.528  1857.89  ?   ?    59.447   24.289 0.000000 24.28859 
1 1 1   86    8    5 o   56.421   24.320  224.790  2024.20   0.0000   0.0000  224.790  2024.20  ?   ?    56.421   24.320 0.000000 24.31960 
1 1 1   86    8    6 o   50.271   22.921 -870.3690  2069.76   0.0000   0.0000 -870.3690  2069.76  ?   ?    50.271   22.921 0.000000 22.92099 
1 1 1   86    8    7 f  178.162   11.188 13268.23  1610.27  9081.56  1851.18 26286.81  3264.34  145.040   15.984  247.250   16.352 -102.2101 22.86697 
1 1 1   86    8    8 f  166.105   11.911 11615.08  1595.82  8672.44  1837.44 20648.47  3219.37  141.181   16.330  216.679   18.475 -75.49835 24.65766 
1 1 1   86    8    9 o   47.384   13.462  979.669  542.253  989.751  572.262  891.029  1696.81   47.673   13.917   56.786   23.208 -9.112885 27.06084 
1 1 1   86    8   10 o   79.810   28.854  3144.55  2400.70 12139.06 13699.29  2859.58  2438.43  109.058   52.486   77.361   28.888 31.69677 59.91029 
1 1 1   86    8   11 o   65.137   25.356  1790.64  1929.29  9035.65 14655.66  1662.88  1946.23   98.857   48.947   64.095   25.313 34.76185 55.10444 
1 1 1   86   10    0 o  139.734   36.665 10247.46  4212.19   0.0000   0.0000 10247.46  4212.19  ?   ?   139.734   36.665 0.000000 36.66532 
1 1 1   86   10    1 o   83.819   32.482  2897.89  3155.03   0.0000   0.0000  2897.89  3155.03  ?   ?    83.819   32.482 0.000000 32.48234 
1 1 1   86   10    2 o  119.680   33.830  7297.35  3433.48   0.0000   0.0000  7297.35  3433.48  ?   ?   119.680   33.830 0.000000 33.82970 
1 1 1   86   10    3 o  158.175   34.546 12685.33  4312.54   0.0000   0.0000 12685.33  4312.54  ?   ?   158.175   34.546 0.000000 34.54554 
1 1 1   86   10    4 o  176.748   32.794 15506.58  4533.04   0.0000   0.0000 15506.58  4533.04  ?   ?   176.748   32.794 0.000000 32.79353 
1 1 1   86   10    5 o  152.062   31.870 11518.95  3809.10   0.0000   0.0000 11518.95  3809.10  ?   ?   152.062   31.870 0.000000 31.86988 
1 1 1   86   10    6 o  179.245   33.080 16251.01  4637.10   0.0000   0.0000 16251.01  4637.10  ?   ?   179.245   33.080 0.000000 33.07979 
1 1 1   86   10    7 o   90.825   30.362  4110.04  2630.94   0.0000   0.0000  4110.04  2630.94  ?   ?    90.825   30.362 0.000000 30.36152 
1 1 1   86   10    8 o   59.772   25.746  539.571  2265.50   0.0000   0.0000  539.571  2265.50  ?   ?    59.772   25.746 0.000000 25.74610 
1 1 1   86   10    9 o   99.767   30.570  5299.87  2710.31 -6674.4780 14811.98  5714.68  2756.85   90.873   45.632  103.532   30.639 -12.65872 54.96337 
1 1 1   86   10   10 o   61.437   24.728  1363.67  1892.88 -13074.0303 15022.14  1596.60  1908.09   83.313   42.307   63.550   25.074 19.76295 49.17952 
1 1 1   86   12    0 o  127.453   38.981  9050.54  4409.26   0.0000   0.0000  9050.54  4409.26  ?   ?   127.453   38.981 0.000000 38.98119 
1 1 1   86   12    1 o  154.946   37.377 12836.26  4648.09   0.0000   0.0000 12836.26  4648.09  ?   ?   154.946   37.377 0.000000 37.37655 
1 1 1   86   12    2 o   91.629   34.586  3977.81  3514.38   0.0000   0.0000  3977.81  3514.38  ?   ?    91.629   34.586 0.000000 34.58566 
1 1 1   86   12    3 o  106.552   35.847  5995.81  3667.63   0.0000   0.0000  5995.81  3667.63  ?   ?   106.552   35.847 0.000000 35.84650 
1 1 1   86   12    4 f   80.372   30.660  2790.41  2780.28   0.0000   0.0000  2790.41  2780.28  ?   ?    80.372   30.660 0.000000 30.65971 
1 1 1   86   12    5 o   89.770   31.363  3970.00  2814.54   0.0000   0.0000  3970.00  2814.54  ?   ?    89.770   31.363 0.000000 31.36347 
1 1 1   86   12    6 o  152.183   33.976 12210.07  4092.13   0.0000   0.0000 12210.07  4092.13  ?   ?   152.183   33.976 0.000000 33.97638 
1 1 1   86   12    7 o   52.527   24.153 -942.1010  2363.78   0.0000   0.0000 -942.1010  2363.78  ?   ?    52.527   24.153 0.000000 24.15265 
1 1 1   86   12    8 o   74.431   29.165  2434.72  2565.30   0.0000   0.0000  2434.72  2565.30  ?   ?    74.431   29.165 0.000000 29.16522 
1 1 1   86   12    9 o  110.129   31.973  6788.15  3027.72 23099.40 14949.49  6090.47  3091.79  117.892   56.222  103.304   32.804 14.58797 65.09233 
1 1 1   86   12   10 o   83.695   30.902  3884.74  2774.73 -8791.4268 17489.47  4212.04  2810.32   85.046   43.414   86.340   31.218 -1.294312 53.47266 
1 1 1   86   14    0 o   55.758   26.287 -2156.9419  3091.56   0.0000   0.0000 -2156.9419  3091.56  ?   ?    55.758   26.287 0.000000 26.28736 
1 1 1   86   14    1 o  132.873   39.623 10215.65  4597.61   0.0000   0.0000 10215.65  4597.61  ?   ?   132.873   39.623 0.000000 39.62273 
1 1 1   86   14    2 o  136.669   40.771 11004.97  4867.18   0.0000   0.0000 11004.97  4867.18  ?   ?   136.669   40.771 0.000000 40.77078 
1 1 1   86   14    3 o   90.170   34.048  4022.11  3406.80   0.0000   0.0000  4022.11  3406.80  ?   ?    90.170   34.048 0.000000 34.04806 
1 1 1   86   14    4 o  107.918   35.902  6469.00  3679.78   0.0000   0.0000  6469.00  3679.78  ?   ?   107.918   35.902 0.000000 35.90211 
1 1 1   86   14    5 o  150.290   36.365 12549.47  4389.60   0.0000   0.0000 12549.47  4389.60  ?   ?   150.290   36.365 0.000000 36.36515 
1 1 1   86   14    6 o  134.960   35.264 10216.37  3907.11   0.0000   0.0000 10216.37  3907.11  ?   ?   134.960   35.264 0.000000 35.26434 
1 1 1   86   14    7 o  132.648   34.749 10003.32  3787.42   0.0000   0.0000 10003.32  3787.42  ?   ?   132.648   34.749 0.000000 34.74903 
1 1 1   86   14    8 o   64.807   28.493  841.092  2897.10   0.0000   0.0000  841.092  2897.10  ?   ?    64.807   28.493 0.000000 28.49309 
1 1 1   86   14    9 o   48.090   22.709 -1508.1030  2324.23 18098.38 15833.14 -1939.9030  2349.68  102.413   50.737   46.708   22.279 55.70493 55.41309 
1 1 1   86   16    0 o   84.762   37.062  2693.98  4842.68   0.0000   0.0000  2693.98  4842.68  ?   ?    84.762   37.062 0.000000 37.06240 
1 1 1   86   16    1 f  148.404   43.222 14072.75  5525.18   0.0000   0.0000 14072.75  5525.18  ?   ?   148.404   43.222 0.000000 43.22165 
1 1 1   86   16    2 o   84.889   34.667  3348.77  3782.65   0.0000   0.0000  3348.77  3782.65  ?   ?    84.889   34.667 0.000000 34.66722 
1 1 1   86   16    3 o  179.477   41.907 19631.60  5996.23   0.0000   0.0000 19631.60  5996.23  ?   ?   179.477   41.907 0.000000 41.90676 
1 1 1   86   16    4 o   87.510   35.695  3882.13  4004.32   0.0000   0.0000  3882.13  4004.32  ?   ?    87.510   35.695 0.000000 35.69509 
1 1 1   86   16    5 o  114.552   37.926  8142.38  4108.09   0.0000   0.0000  8142.38  4108.09  ?   ?   114.552   37.926 0.000000 37.92568 
1 1 1   86   16    6 o  ?   ?  -6752.3970  1593.61   0.0000   0.0000 -6752.3970  1593.61  ?   ?   ?   ?  0.000000      ? 
1 1 1   86   16    7 o  107.574   35.846  7281.07  3667.66   0.0000   0.0000  7281.07  3667.66  ?   ?   107.574   35.846 0.000000 35.84557 
1 1 1   86   16    8 o   87.599   33.092  4635.96  3218.99   0.0000   0.0000  4635.96  3218.99  ?   ?    87.599   33.092 0.000000 33.09169 
1 1 1   86   18    0 o   87.626   37.878  4064.16  4938.64   0.0000   0.0000  4064.16  4938.64  ?   ?    87.626   37.878 0.000000 37.87785 
1 1 1   86   18    1 o  118.564   43.012 10191.76  5341.24   0.0000   0.0000 10191.76  5341.24  ?   ?   118.564   43.012 0.000000 43.01215 
1 1 1   86   18    2 o   53.404   25.626 -2689.8779  3210.89   0.0000   0.0000 -2689.8779  3210.89  ?   ?    53.404   25.626 0.000000 25.62582 
1 1 1   86   18    3 o  102.068   39.101  6945.54  4533.97   0.0000   0.0000  6945.54  4533.97  ?   ?   102.068   39.101 0.000000 39.10130 
1 1 1   86   18    4 o  110.910   40.178  8621.50  4658.19   0.0000   0.0000  8621.50  4658.19  ?   ?   110.910   40.178 0.000000 40.17819 
1 1 1   86   18    5 o   90.133   36.087  5077.45  4008.07   0.0000   0.0000  5077.45  4008.07  ?   ?    90.133   36.087 0.000000 36.08745 
1 1 1   86   18    6 o  115.162   39.690  9619.29  4499.87   0.0000   0.0000  9619.29  4499.87  ?   ?   115.162   39.690 0.000000 39.68959 
1 1 1   86   18    7 o   45.704   22.141 -2634.8040  2538.16   0.0000   0.0000 -2634.8040  2538.16  ?   ?    45.704   22.141 0.000000 22.14129 
1 1 1   86   20    0 o   85.446   38.624  4590.69  5722.91   0.0000   0.0000  4590.69  5722.91  ?   ?    85.446   38.624 0.000000 38.62386 
1 1 1   86   20    1 o   57.432   27.743 -2674.8530  3913.91   0.0000   0.0000 -2674.8530  3913.91  ?   ?    57.432   27.743 0.000000 27.74322 
1 1 1   86   20    2 o   64.006   29.292  384.281  3420.86   0.0000   0.0000  384.281  3420.86  ?   ?    64.006   29.292 0.000000 29.29208 
1 1 1   86   20    3 o  109.869   42.709 10348.56  5467.30   0.0000   0.0000 10348.56  5467.30  ?   ?   109.869   42.709 0.000000 42.70871 
1 1 1   86   20    4 o   87.400   37.168  5392.88  4612.64   0.0000   0.0000  5392.88  4612.64  ?   ?    87.400   37.168 0.000000 37.16818 
1 1 1   86   20    5 o   94.676   38.894  7290.33  4796.75   0.0000   0.0000  7290.33  4796.75  ?   ?    94.676   38.894 0.000000 38.89420 
1 1 1   86   22    0 o   72.468   34.874  1690.60  6045.29   0.0000   0.0000  1690.60  6045.29  ?   ?    72.468   34.874 0.000000 34.87352 
1 1 1   86   22    1 o   84.710   38.566  6351.56  5831.94   0.0000   0.0000  6351.56  5831.94  ?   ?    84.710   38.566 0.000000 38.56602 
1 1 1   86   22    2 o   48.440   24.143 -5605.8721  3804.66   0.0000   0.0000 -5605.8721  3804.66  ?   ?    48.440   24.143 0.000000 24.14253 
1 1 1   86   22    3 o   70.239   32.978  1915.84  4777.80   0.0000   0.0000  1915.84  4777.80  ?   ?    70.239   32.978 0.000000 32.97787 
1 1 1   87    1    0 o  147.198   19.733  9470.72  2299.15 10040.53  3175.98  8843.30  3332.64  146.944   27.633  135.538   30.961 11.40646 41.49895 
1 1 1   87    1    1 o   75.692   21.091  2566.40  1344.51  1405.95  1740.50  4283.56  2117.23   63.577   24.257   95.934   26.366 -32.35691 35.82669 
1 1 1   87    1    2 o   64.374   19.954  1798.87  1151.01  1782.96  1480.62  1823.18  1829.82   65.741   22.760   68.439   25.122 -2.697853 33.89921 
1 1 1   87    1    3 o  143.826   15.793  8819.72  1813.97  7233.33  2450.05 10744.31  2698.60  125.776   24.872  155.689   21.957 -29.91288 33.17696 
1 1 1   87    1    4 o  143.043   14.850  8684.35  1699.64  7778.55  2266.04  9849.27  2569.82  132.034   21.905  148.874   21.915 -16.83931 30.98510 
1 1 1   87    1    5 o  219.325   15.514 20404.76  2745.01 17725.09  3746.17 23511.80  4033.85  198.823   23.670  230.872   21.776 -32.04839 32.16298 
1 1 1   87    1    6 o  297.030   27.124 40662.89  6469.49 40662.89  6469.49   0.0000   0.0000  297.030   27.124  ?   ?  0.000000 27.12374 
1 1 1   87    1    7 o  180.567   14.052 13802.80  2044.02 12798.20  2826.34 14904.39  2959.64  169.699   20.957  183.839   20.158 -14.13997 29.07815 
1 1 1   87    1    8 o   81.739   22.165  3089.87  1508.20   0.0000   0.0000  3089.87  1508.20  ?   ?    81.739   22.165 0.000000 22.16541 
1 1 1   87    1    9 o   96.353   15.100  4044.86  1142.54  3411.37  1588.69  4723.52  1644.34   85.243   22.590  101.569   20.642 -16.32679 30.60079 
1 1 1   87    1   10 o  125.583   14.313  6814.81  1433.45  6197.38  2074.17  7379.31  1983.28  114.433   23.119  127.436   19.810 -13.00362 30.44560 
1 1 1   87    1   11 o   64.837   18.512  1938.23  1022.79  2618.93  1476.98  1311.05  1417.74   73.892   22.554   57.765   21.928 16.12748 31.45628 
1 1 1   87    3    0 o  249.114   15.873 26310.80  3193.92 26310.80  3193.92   0.0000   0.0000  249.114   15.873  ?   ?  0.000000 15.87284 
1 1 1   87    3    1 o  127.244   9.8306  6712.25  1007.80  6712.25  1007.80   0.0000   0.0000  127.244   9.8306  ?   ?  0.000000 9.830639 
1 1 1   87    3    2 o   27.893   12.969 -605.2954  709.999 -605.2954  709.999   0.0000   0.0000   27.893   12.969  ?   ?  0.000000 12.96950 
1 1 1   87    3    3 o  173.783   19.614 13149.88  2719.21 13149.88  2719.21   0.0000   0.0000  173.783   19.614  ?   ?  0.000000 19.61378 
1 1 1   87    3    4 o  137.603   14.165  8015.50  1559.97  7083.73  1929.71  9772.89  2650.16  127.080   19.309  147.658   22.842 -20.57850 29.90964 
1 1 1   87    3    5 o  207.847   15.242 18318.99  2554.40 18104.67  3342.97 18619.71  3959.78  203.169   20.547  202.981   24.523 0.1880341 31.99299 
1 1 1   87    3    6 o   66.260   16.019  1934.65  852.299  2287.82  1026.14  1149.01  1530.46   71.717   17.724   58.685   22.657 13.03200 28.76541 
1 1 1   87    3    7 o   54.394   17.104  1268.09  842.261  1228.40  995.319  1368.19  1580.73   54.703   18.673   61.212   23.173 -6.508827 29.76030 
1 1 1   87    3    8 o  121.239   13.963  6282.67  1349.39  4775.58  1747.45  8508.79  2123.78  101.926   21.776  138.356   19.441 -36.43015 29.19159 
1 1 1   87    3    9 o   48.993   17.243  954.323  851.478  1790.88  1088.49 -364.7788  1366.83   63.197   19.375   42.725   19.130 20.47233 27.22743 
1 1 1   87    3   10 o   55.222   21.735  1020.94  1430.40 -8450.2666 11474.53  1170.44  1441.65   84.194   41.956   56.880   21.981 27.31362 47.36562 
1 1 1   87    3   11 o   25.507   12.450 -1456.1680  844.760 -811.0104  1163.92 -2174.3120  1227.99   35.767   16.622   30.167   14.786 5.599716 22.24663 
1 1 1   87    5    0 o   48.378   12.526  1011.12  495.921  912.328  507.679  3070.10  2317.64   46.113   12.999   82.797   28.487 -36.68425 31.31264 
1 1 1   87    5    1 o  121.055   11.850  6140.84  1149.84  6730.89  1241.25  2571.46  3052.88  126.666   12.220   81.804   31.882 44.86211 34.14394 
1 1 1   87    5    2 o   24.661   8.6639  220.619  214.920  211.982  216.351  867.343  1872.11   24.431   8.6815   59.845   24.408 -35.41399 25.90623 
1 1 1   87    5    3 o  204.761   14.939 17736.98  2466.68 15447.57  3042.57 22127.46  4213.42  187.878   20.265  222.381   23.700 -34.50317 31.18273 
1 1 1   87    5    4 o  140.313   13.845  8325.41  1556.81  6212.19  1814.31 14225.69  3031.62  118.651   19.511  179.475   21.214 -60.82426 28.82157 
1 1 1   87    5    5 o  300.891   17.562 38871.93  4272.10 31382.02  5595.57 49339.11  6614.86  261.096   26.773  330.390   24.840 -69.29422 36.52105 
1 1 1   87    5    6 o  218.044   15.043 20199.56  2647.01 16859.61  3390.79 25410.66  4235.41  194.404   21.860  238.791   22.095 -44.38690 31.08145 
1 1 1   87    5    7 o   67.716   16.414  2035.07  893.115  2051.77  1037.19  1987.16  1756.53   67.664   18.395   68.793   24.706 -1.128792 30.80168 
1 1 1   87    5    8 o   42.194   15.743  610.990  723.929  803.265  818.059 -83.2418  1554.45   46.402   16.833   47.731   20.931 -1.329132 26.86010 
1 1 1   87    5    9 o   52.895   17.231  1200.48  849.304  1296.58  971.829  889.841  1747.31   55.110   18.453   57.408   23.516 -2.298038 29.89186 
1 1 1   87    5   10 f  142.247   13.555  8697.54  1546.64  7406.55  2002.75 10605.11  2434.47  127.130   20.068  152.399   20.169 -25.26935 28.45173 
1 1 1   87    5   11 o  119.821   25.203  7151.03  2374.25 18528.94 14381.08  6832.21  2407.29  111.943   53.850  116.193   26.148 -4.249939 59.86205 
1 1 1   87    7    0 f  214.880   35.045 23013.90  5903.68   0.0000   0.0000 23013.90  5903.68  ?   ?   214.880   35.045 0.000000 35.04486 
1 1 1   87    7    1 o  162.593   33.764 13125.03  4311.73   0.0000   0.0000 13125.03  4311.73  ?   ?   162.593   33.764 0.000000 33.76389 
1 1 1   87    7    2 o  193.670   31.187 18016.23  4737.77   0.0000   0.0000 18016.23  4737.77  ?   ?   193.670   31.187 0.000000 31.18715 
1 1 1   87    7    3 o   61.515   24.922  1015.12  1936.16   0.0000   0.0000  1015.12  1936.16  ?   ?    61.515   24.922 0.000000 24.92163 
1 1 1   87    7    4 o  131.372   28.613  8256.86  2965.73   0.0000   0.0000  8256.86  2965.73  ?   ?   131.372   28.613 0.000000 28.61313 
1 1 1   87    7    5 o  148.404   31.046 10790.96  3620.83   0.0000   0.0000 10790.96  3620.83  ?   ?   148.404   31.046 0.000000 31.04612 
1 1 1   87    7    6 o   73.670   27.520  2236.80  2213.47   0.0000   0.0000  2236.80  2213.47  ?   ?    73.670   27.520 0.000000 27.52021 
1 1 1   87    7    7 o  107.530   12.254  4900.26  1050.81  3494.22  1162.29 11192.62  2458.80   88.937   16.709  158.854   19.470 -69.91757 25.65688 
1 1 1   87    7    8 o   90.608   12.522  3512.36  896.641  2652.28  1002.48  6952.67  2004.95   77.118   16.508  123.620   20.707 -46.50234 26.48182 
1 1 1   87    7    9 o  102.924   13.311  4562.52  1086.37  4013.31  1200.51  7045.72  2552.73   95.199   16.105  119.179   27.004 -23.98000 31.44233 
1 1 1   87    7   10 o   59.728   24.010  1219.60  1782.04  3434.33 13850.40  1182.32  1796.98   97.183   48.020   59.522   24.046 37.66130 53.70410 
1 1 1   87    7   11 o   96.466   26.732  4865.73  2166.25 11802.48 15438.56  4726.42  2187.90   99.946   49.616   94.766   27.081 5.180618 56.52587 
1 1 1   87    9    0 o   87.057   33.507  3292.71  3339.47   0.0000   0.0000  3292.71  3339.47  ?   ?    87.057   33.507 0.000000 33.50742 
1 1 1   87    9    1 o  246.230   36.440 30887.98  7065.37   0.0000   0.0000 30887.98  7065.37  ?   ?   246.230   36.440 0.000000 36.43956 
1 1 1   87    9    2 o  116.043   33.289  6839.42  3299.82   0.0000   0.0000  6839.42  3299.82  ?   ?   116.043   33.289 0.000000 33.28885 
1 1 1   87    9    3 o  220.853   33.589 24215.77  5833.48   0.0000   0.0000 24215.77  5833.48  ?   ?   220.853   33.589 0.000000 33.58873 
1 1 1   87    9    4 o  119.252   31.250  7104.89  3062.49   0.0000   0.0000  7104.89  3062.49  ?   ?   119.252   31.250 0.000000 31.25047 
1 1 1   87    9    5 o  372.382   42.423 76803.74 12598.14   0.0000   0.0000 76803.74 12598.14  ?   ?   372.382   42.423 0.000000 42.42303 
1 1 1   87    9    6 o  153.361   32.987 12018.01  3985.79   0.0000   0.0000 12018.01  3985.79  ?   ?   153.361   32.987 0.000000 32.98737 
1 1 1   87    9    7 o   66.236   26.294  1548.24  2110.28   0.0000   0.0000  1548.24  2110.28  ?   ?    66.236   26.294 0.000000 26.29442 
1 1 1   87    9    8 o  140.788   30.577 10172.48  3395.36   0.0000   0.0000 10172.48  3395.36  ?   ?   140.788   30.577 0.000000 30.57718 
1 1 1   87    9    9 o  128.930   29.731  8649.33  3048.82 14458.26 15615.57  8419.12  3108.65  110.975   54.027  126.199   30.644 -15.22471 62.11262 
1 1 1   87    9   10 o  125.092   29.919  8388.31  2997.92 17858.65 14549.09  7968.38  3063.66  110.036   53.235  120.438   31.109 -10.40279 61.65826 
1 1 1   87   11    0 o  165.112   41.002 15315.07  5471.81   0.0000   0.0000 15315.07  5471.81  ?   ?   165.112   41.002 0.000000 41.00160 
1 1 1   87   11    1 o  151.393   37.098 12251.04  4524.60   0.0000   0.0000 12251.04  4524.60  ?   ?   151.393   37.098 0.000000 37.09762 
1 1 1   87   11    2 o  145.547   36.029 11199.53  4235.11   0.0000   0.0000 11199.53  4235.11  ?   ?   145.547   36.029 0.000000 36.02906 
1 1 1   87   11    3 f   66.553   28.687  685.146  2816.37   0.0000   0.0000  685.146  2816.37  ?   ?    66.553   28.687 0.000000 28.68658 
1 1 1   87   11    4 o   65.335   28.093  691.513  2688.05   0.0000   0.0000  691.513  2688.05  ?   ?    65.335   28.093 0.000000 28.09293 
1 1 1   87   11    5 o   44.954   20.905 -1237.5070  1845.94   0.0000   0.0000 -1237.5070  1845.94  ?   ?    44.954   20.905 0.000000 20.90539 
1 1 1   87   11    6 o  118.754   34.281  7628.35  3489.63   0.0000   0.0000  7628.35  3489.63  ?   ?   118.754   34.281 0.000000 34.28128 
1 1 1   87   11    7 o  111.423   33.698  6805.11  3308.26   0.0000   0.0000  6805.11  3308.26  ?   ?   111.423   33.698 0.000000 33.69808 
1 1 1   87   11    8 o  105.429   33.598  6246.51  3241.12   0.0000   0.0000  6246.51  3241.12  ?   ?   105.429   33.598 0.000000 33.59814 
1 1 1   87   11    9 o   61.048   26.530  717.515  2448.58 23592.88 16443.25  198.764  2476.19  114.652   55.731   58.320   25.957 56.33141 61.47929 
1 1 1   87   11   10 o  ?   ?  -4555.6782  1201.56 -14622.4004 14095.34 -4481.9902  1205.95   77.752   39.626  ?   ?  0.000000 39.62646 
1 1 1   87   13    0 o   87.904   35.356  3501.84  3866.58   0.0000   0.0000  3501.84  3866.58  ?   ?    87.904   35.356 0.000000 35.35638 
1 1 1   87   13    1 o   90.466   34.685  3989.65  3569.49   0.0000   0.0000  3989.65  3569.49  ?   ?    90.466   34.685 0.000000 34.68515 
1 1 1   87   13    2 o  111.292   36.899  6886.11  3888.17   0.0000   0.0000  6886.11  3888.17  ?   ?   111.292   36.899 0.000000 36.89897 
1 1 1   87   13    3 o   93.013   34.158  4411.25  3383.44   0.0000   0.0000  4411.25  3383.44  ?   ?    93.013   34.158 0.000000 34.15831 
1 1 1   87   13    4 o  170.859   38.652 16396.58  5236.87   0.0000   0.0000 16396.58  5236.87  ?   ?   170.859   38.652 0.000000 38.65205 
1 1 1   87   13    5 o   82.894   31.527  3266.38  2934.16   0.0000   0.0000  3266.38  2934.16  ?   ?    82.894   31.527 0.000000 31.52657 
1 1 1   87   13    6 o  159.583   34.570 13897.77  4349.84   0.0000   0.0000 13897.77  4349.84  ?   ?   159.583   34.570 0.000000 34.56954 
1 1 1   87   13    7 o  160.552   39.211 15530.09  5067.54   0.0000   0.0000 15530.09  5067.54  ?   ?   160.552   39.211 0.000000 39.21077 
1 1 1   87   13    8 o   59.055   26.900 -255.2906  2842.17   0.0000   0.0000 -255.2906  2842.17  ?   ?    59.055   26.900 0.000000 26.90041 
1 1 1   87   13    9 o   97.060   32.599  5603.18  3033.19 -10436.4600 19320.72  6008.49  3071.28   85.233   43.673  100.353   32.772 -15.12024 54.60120 
1 1 1   87   15    0 o  114.018   43.181  8601.76  5489.98   0.0000   0.0000  8601.76  5489.98  ?   ?   114.018   43.181 0.000000 43.18135 
1 1 1   87   15    1 o   91.321   36.264  4324.31  4015.09   0.0000   0.0000  4324.31  4015.09  ?   ?    91.321   36.264 0.000000 36.26413 
1 1 1   87   15    2 f  141.284   41.334 12360.89  5042.88   0.0000   0.0000 12360.89  5042.88  ?   ?   141.284   41.334 0.000000 41.33353 
1 1 1   87   15    3 o   53.694   25.200 -1677.3820  2785.27   0.0000   0.0000 -1677.3820  2785.27  ?   ?    53.694   25.200 0.000000 25.20027 
1 1 1   87   15    4 o   78.265   32.345  2555.99  3342.98   0.0000   0.0000  2555.99  3342.98  ?   ?    78.265   32.345 0.000000 32.34482 
1 1 1   87   15    5 o   79.706   32.265  2942.23  3242.46   0.0000   0.0000  2942.23  3242.46  ?   ?    79.706   32.265 0.000000 32.26525 
1 1 1   87   15    6 o   79.514   31.629  3102.82  3059.00   0.0000   0.0000  3102.82  3059.00  ?   ?    79.514   31.629 0.000000 31.62875 
1 1 1   87   15    7 o  102.950   34.986  6520.86  3494.00   0.0000   0.0000  6520.86  3494.00  ?   ?   102.950   34.986 0.000000 34.98600 
1 1 1   87   15    8 o   88.559   33.979  4808.11  3427.23   0.0000   0.0000  4808.11  3427.23  ?   ?    88.559   33.979 0.000000 33.97910 
1 1 1   87   17    0 o  135.594   46.929 14250.80  6294.25   0.0000   0.0000 14250.80  6294.25  ?   ?   135.594   46.929 0.000000 46.92868 
1 1 1   87   17    1 o  151.383   46.141 16582.50  6184.85   0.0000   0.0000 16582.50  6184.85  ?   ?   151.383   46.141 0.000000 46.14092 
1 1 1   87   17    2 o  117.257   41.682  9540.84  4987.79   0.0000   0.0000  9540.84  4987.79  ?   ?   117.257   41.682 0.000000 41.68218 
1 1 1   87   17    3 o   74.561   32.532  1898.19  3713.45   0.0000   0.0000  1898.19  3713.45  ?   ?    74.561   32.532 0.000000 32.53241 
1 1 1   87   17    4 o   65.613   29.634  434.894  3360.84   0.0000   0.0000  434.894  3360.84  ?   ?    65.613   29.634 0.000000 29.63407 
1 1 1   87   17    5 o   95.326   36.799  5857.14  4037.08   0.0000   0.0000  5857.14  4037.08  ?   ?    95.326   36.799 0.000000 36.79887 
1 1 1   87   17    6 o  118.369   39.411  9876.14  4433.84   0.0000   0.0000  9876.14  4433.84  ?   ?   118.369   39.411 0.000000 39.41079 
1 1 1   87   17    7 o  121.464   39.207 10622.08  4402.87   0.0000   0.0000 10622.08  4402.87  ?   ?   121.464   39.207 0.000000 39.20710 
1 1 1   87   19    0 o   60.224   29.253 -3193.8279  4509.00   0.0000   0.0000 -3193.8279  4509.00  ?   ?    60.224   29.253 0.000000 29.25328 
1 1 1   87   19    1 o   97.850   40.599  7327.70  5297.15   0.0000   0.0000  7327.70  5297.15  ?   ?    97.850   40.599 0.000000 40.59946 
1 1 1   87   19    2 o   70.928   32.435  1142.28  4182.87   0.0000   0.0000  1142.28  4182.87  ?   ?    70.928   32.435 0.000000 32.43465 
1 1 1   87   19    3 o   81.519   35.500  3734.31  4402.92   0.0000   0.0000  3734.31  4402.92  ?   ?    81.519   35.500 0.000000 35.50017 
1 1 1   87   19    4 o   77.707   34.202  3095.09  4184.51   0.0000   0.0000  3095.09  4184.51  ?   ?    77.707   34.202 0.000000 34.20250 
1 1 1   87   19    5 o   87.074   36.575  5337.13  4377.34   0.0000   0.0000  5337.13  4377.34  ?   ?    87.074   36.575 0.000000 36.57475 
1 1 1   87   21    0 o   63.588   31.084 -2121.9270  5322.75   0.0000   0.0000 -2121.9270  5322.75  ?   ?    63.588   31.084 0.000000 31.08409 
1 1 1   87   21    1 o  124.759   49.685 19427.41  7556.91   0.0000   0.0000 19427.41  7556.91  ?   ?   124.759   49.685 0.000000 49.68513 
1 1 1   87   21    2 o   69.889   32.822  1377.95  4737.77   0.0000   0.0000  1377.95  4737.77  ?   ?    69.889   32.822 0.000000 32.82191 
1 1 1   87   21    3 f   80.588   36.376  4748.85  5055.56   0.0000   0.0000  4748.85  5055.56  ?   ?    80.588   36.376 0.000000 36.37638 
1 1 1   88    0    0 o   87.574   38.735  5057.83  2899.89   0.0000   0.0000  5057.83  2899.89   87.574   38.735   87.574   38.735 0.000000 0.000000 
1 1 1   88    0    1 o  285.581   30.623 37625.55  6894.72   0.0000   0.0000 37625.55  6894.72  285.581   30.623  285.581   30.623 0.000000 0.000000 
1 1 1   88    0    2 o   74.352   31.892  3486.04  1970.30   0.0000   0.0000  3486.04  1970.30   74.352   31.892   74.352   31.892 0.000000 0.000000 
1 1 1   88    0    3 o  242.899   26.625 26870.05  5090.46   0.0000   0.0000 26870.05  5090.46  242.899   26.625  242.899   26.625 0.000000 0.000000 
1 1 1   88    0    4 o  137.001   24.760  8857.47  2487.25   0.0000   0.0000  8857.47  2487.25  137.001   24.760  137.001   24.760 0.000000 0.000000 
1 1 1   88    0    5 o   63.824   26.643  2508.32  1381.28   0.0000   0.0000  2508.32  1381.28   63.824   26.643   63.824   26.643 0.000000 0.000000 
1 1 1   88    0    6 o   26.597   17.685 -201.0161  1022.60   0.0000   0.0000 -201.0161  1022.60   26.597   17.685   26.597   17.685 0.000000 0.000000 
1 1 1   88    0    8 o   34.298   20.851  582.496  1084.81   0.0000   0.0000  582.496  1084.81   34.298   20.851   34.298   20.851 0.000000 0.000000 
1 1 1   88    0    9 o   39.078   22.433  980.806  1133.44 10422.70 11734.38  891.884  1138.77   75.759   52.807   37.967   22.182 0.000000 0.000000 
1 1 1   88    0   10 o   66.590   27.318  2915.13  1458.54 14515.91 12683.13  2759.66  1468.28   74.149   52.351   63.785   27.546 0.000000 0.000000 
1 1 1   88    0   11 o   73.597   30.307  3800.45  1793.13 24539.92 13739.95  3441.10  1808.60   76.047   53.845   67.878   30.599 0.000000 0.000000 
1 1 1   88    2    0 o  124.754   9.8487  6460.04  989.529  7038.92  1057.70  2398.82  2801.55  130.188   10.085   79.043   30.615 51.14497 32.23327 
1 1 1   88    2    1 o  171.235   18.212 12678.08  2493.33 11360.06  3192.73 14738.44  3991.84  157.306   25.898  177.372   28.697 -20.06625 38.65545 
1 1 1   88    2    2 o   27.088   12.734 -727.2328  716.132 -370.0297  853.761 -1575.0861  1315.34   33.336   15.007   35.038   16.700 -1.702072 22.45256 
1 1 1   88    2    3 o  171.496   15.463 12508.74  2130.09 10511.49  2765.57 15421.51  3339.82  153.012   22.969  186.072   22.567 -33.05939 32.20039 
1 1 1   88    2    4 o  165.542   19.882 12015.20  2618.91 12015.20  2618.91   0.0000   0.0000  165.542   19.882  ?   ?  0.000000 19.88157 
1 1 1   88    2    5 o  138.789   18.966  8444.26  2081.38  8444.26  2081.38   0.0000   0.0000  138.789   18.966  ?   ?  0.000000 18.96595 
1 1 1   88    2    6 o   96.040   15.216  3990.43  1147.04  4431.55  1399.17  3086.38  2003.04  100.252   17.843   81.713   26.452 18.53937 31.90718 
1 1 1   88    2    7 o   24.304   11.518 -699.6032  608.073 -287.5356  697.052 -2011.6219  1243.80   30.264   13.598   31.515   15.321 -1.251547 20.48525 
1 1 1   88    2    8 o  121.077   13.994  6281.37  1350.40  5593.96  1816.73  7130.12  2018.69  110.704   20.979  125.596   20.503 -14.89173 29.33382 
1 1 1   88    2    9 o   43.678   18.925   36.982  1238.62  412.454 12471.00   33.241  1244.78   98.098   47.873   43.743   18.962 54.35528 51.49146 
1 1 1   88    2   10 o  143.295   14.376  8891.40  1650.11  8360.21  2284.87  9470.45  2385.60  133.799   21.781  143.022   21.183 -9.222366 30.38308 
1 1 1   88    2   11 o  121.551   14.817  6493.96  1432.08  7103.56  1971.09  5812.43  2084.15  123.268   20.407  108.299   24.299 14.96866 31.73146 
1 1 1   88    4    0 o   71.924   9.4091  2166.85  536.317  2025.15  547.894  5414.03  2622.73   69.349   10.021  105.841   29.444 -36.49191 31.10283 
1 1 1   88    4    1 o  113.131   9.3284  5307.54  849.250  5233.62  890.390  6052.44  2826.54  112.194   9.8746  111.503   30.389 0.6911697 31.95316 
1 1 1   88    4    2 o  134.796   8.6973  7501.96  946.835  7363.05  1002.66  8646.16  2877.64  133.372   9.3173  135.978   27.016 -2.605377 28.57707 
1 1 1   88    4    3 o  169.269   14.445 12129.57  1966.31 10450.28  2401.21 15547.81  3425.84  154.410   19.593  186.216   23.158 -31.80637 30.33420 
1 1 1   88    4    4 o  165.161   14.429 11560.19  1915.65  9842.32  2332.30 15121.96  3358.32  149.640   19.672  183.523   23.045 -33.88353 30.29962 
1 1 1   88    4    5 f  236.230   15.692 23772.87  2992.74 19804.60  3877.83 29617.55  4706.18  209.855   23.143  257.369   22.755 -47.51422 32.45557 
1 1 1   88    4    6 o  284.169   19.648 35376.55  4505.61 44886.50  6044.16 23482.53  6759.45  314.958   23.810  206.857   41.685 108.1014 48.00554 
1 1 1   88    4    7 o  113.867   14.436  5568.12  1304.71  4547.78  1602.86  7571.77  2246.12  100.086   20.415  128.714   22.299 -28.62768 30.23314 
1 1 1   88    4    8 o  153.831   14.232 10127.02  1757.49  8891.39  2242.11 12096.03  2830.35  140.495   20.238  162.840   21.967 -22.34521 29.86850 
1 1 1   88    4    9 o   74.588   17.407  2519.33  1035.00  1331.28  1286.16  4702.32  1743.43   57.560   21.072  100.019   22.060 -42.45925 30.50704 
1 1 1   88    4   10 o   46.950   17.256  836.982  863.736  451.701  1043.51  1675.31  1539.27   44.371   18.174   62.653   23.035 -18.28131 29.34135 
1 1 1   88    4   11 o   87.258   24.473  3840.80  1804.12  1692.19 14569.62  3874.26  1818.12   91.686   45.929   87.577   24.569 4.108635 52.08733 
1 1 1   88    6    0 o   92.684   32.614  4078.12  3046.12   0.0000   0.0000  4078.12  3046.12  ?   ?    92.684   32.614 0.000000 32.61372 
1 1 1   88    6    1 o  126.460   33.543  8073.89  3500.69   0.0000   0.0000  8073.89  3500.69  ?   ?   126.460   33.543 0.000000 33.54279 
1 1 1   88    6    2 o  105.599   30.604  5464.93  2776.23   0.0000   0.0000  5464.93  2776.23  ?   ?   105.599   30.604 0.000000 30.60404 
1 1 1   88    6    3 o   98.545   30.168  4718.66  2640.15   0.0000   0.0000  4718.66  2640.15  ?   ?    98.545   30.168 0.000000 30.16790 
1 1 1   88    6    4 o   55.325   24.153   21.976  2049.29   0.0000   0.0000   21.976  2049.29  ?   ?    55.325   24.153 0.000000 24.15251 
1 1 1   88    6    5 o  200.556   28.388 19060.59  4493.76   0.0000   0.0000 19060.59  4493.76  ?   ?   200.556   28.388 0.000000 28.38834 
1 1 1   88    6    6 o   31.000   13.031   79.673  556.385 -178.3459  584.482  2571.37  1816.32   28.490   12.649   75.321   25.227 -46.83058 28.22017 
1 1 1   88    6    7 o   33.553   13.429  256.361  554.771  410.689  588.276 -983.8464  1667.66   36.744   14.083   43.693   20.162 -6.949310 24.59300 
1 1 1   88    6    8 o   95.822   14.039  3975.04  1059.89  3438.31  1233.40  5490.31  2072.40   87.328   17.993  107.147   24.371 -19.81918 30.29347 
1 1 1   88    6    9 o  109.517   13.655  5180.52  1187.92  3939.68  1394.36  8465.20  2268.62   92.658   19.166  135.229   21.371 -42.57098 28.70629 
1 1 1   88    6   10 o  120.542   24.830  7157.93  2349.40 33690.41 15231.52  6511.29  2377.86  136.598   62.242  113.548   26.307 23.05051 67.57333 
1 1 1   88    8    0 o  227.388   37.361 26814.04  6658.44   0.0000   0.0000 26814.04  6658.44  ?   ?   227.388   37.361 0.000000 37.36141 
1 1 1   88    8    1 o  118.364   35.484  7325.64  3680.00   0.0000   0.0000  7325.64  3680.00  ?   ?   118.364   35.484 0.000000 35.48354 
1 1 1   88    8    2 o   85.880   31.680  3326.25  2914.97   0.0000   0.0000  3326.25  2914.97  ?   ?    85.880   31.680 0.000000 31.67984 
1 1 1   88    8    3 o  241.180   33.712 28978.24  6421.34   0.0000   0.0000 28978.24  6421.34  ?   ?   241.180   33.712 0.000000 33.71181 
1 1 1   88    8    4 o  125.199   30.431  7766.20  3063.32   0.0000   0.0000  7766.20  3063.32  ?   ?   125.199   30.431 0.000000 30.43088 
1 1 1   88    8    5 o  202.079   32.047 20284.33  5082.83   0.0000   0.0000 20284.33  5082.83  ?   ?   202.079   32.047 0.000000 32.04689 
1 1 1   88    8    6 o  129.229   32.191  8582.20  3365.17   0.0000   0.0000  8582.20  3365.17  ?   ?   129.229   32.191 0.000000 32.19064 
1 1 1   88    8    7 o  201.314   28.826 19859.43  4577.32   0.0000   0.0000 19859.43  4577.32  ?   ?   201.314   28.826 0.000000 28.82550 
1 1 1   88    8    8 o  178.062   29.018 15852.56  4050.99   0.0000   0.0000 15852.56  4050.99  ?   ?   178.062   29.018 0.000000 29.01847 
1 1 1   88    8    9 o  128.796   29.525  8646.94  3021.69 -6166.6929 16092.33  9188.34  3076.41   91.473   46.142  133.205   29.245 -41.73207 54.62955 
1 1 1   88    8   10 o  106.932   30.900  6366.02  2833.97 -16580.1895 16559.93  7058.32  2876.40   82.391   42.073  113.237   30.570 -30.84586 52.00700 
1 1 1   88   10    0 o  148.883   40.060 12456.90  4949.00   0.0000   0.0000 12456.90  4949.00  ?   ?   148.883   40.060 0.000000 40.05959 
1 1 1   88   10    1 o  190.940   36.751 19143.52  5490.93   0.0000   0.0000 19143.52  5490.93  ?   ?   190.940   36.751 0.000000 36.75075 
1 1 1   88   10    2 o   86.057   33.072  3312.55  3249.98   0.0000   0.0000  3312.55  3249.98  ?   ?    86.057   33.072 0.000000 33.07232 
1 1 1   88   10    3 f  115.759   35.670  7177.06  3684.19   0.0000   0.0000  7177.06  3684.19  ?   ?   115.759   35.670 0.000000 35.67031 
1 1 1   88   10    4 o  126.494   33.104  8311.80  3439.53   0.0000   0.0000  8311.80  3439.53  ?   ?   126.494   33.104 0.000000 33.10383 
1 1 1   88   10    5 o  222.586   32.367 25041.07  5678.33   0.0000   0.0000 25041.07  5678.33  ?   ?   222.586   32.367 0.000000 32.36661 
1 1 1   88   10    6 o   94.181   33.751  4623.04  3276.61   0.0000   0.0000  4623.04  3276.61  ?   ?    94.181   33.751 0.000000 33.75129 
1 1 1   88   10    7 o   95.974   31.194  4852.73  2783.88   0.0000   0.0000  4852.73  2783.88  ?   ?    95.974   31.194 0.000000 31.19378 
1 1 1   88   10    8 o   90.259   30.266  4304.33  2614.42   0.0000   0.0000  4304.33  2614.42  ?   ?    90.259   30.266 0.000000 30.26557 
1 1 1   88   10    9 o   57.527   24.598  714.144  2040.26 19747.52 14523.75  330.981  2060.69  112.653   54.172   55.174   24.150 57.47866 59.31130 
1 1 1   88   12    0 o  117.659   39.177  8026.91  4381.44   0.0000   0.0000  8026.91  4381.44  ?   ?   117.659   39.177 0.000000 39.17733 
1 1 1   88   12    1 o  119.698   37.987  8124.14  4146.43   0.0000   0.0000  8124.14  4146.43  ?   ?   119.698   37.987 0.000000 37.98664 
1 1 1   88   12    2 o   45.463   21.761 -2493.0330  2283.19   0.0000   0.0000 -2493.0330  2283.19  ?   ?    45.463   21.761 0.000000 21.76053 
1 1 1   88   12    3 o  123.925   38.306  8799.97  4245.02   0.0000   0.0000  8799.97  4245.02  ?   ?   123.925   38.306 0.000000 38.30614 
1 1 1   88   12    4 o   57.186   26.162 -817.1407  2725.50   0.0000   0.0000 -817.1407  2725.50  ?   ?    57.186   26.162 0.000000 26.16187 
1 1 1   88   12    5 o   50.043   22.993 -911.1779  2136.72   0.0000   0.0000 -911.1779  2136.72  ?   ?    50.043   22.993 0.000000 22.99316 
1 1 1   88   12    6 o   92.282   34.809  4599.08  3558.37   0.0000   0.0000  4599.08  3558.37  ?   ?    92.282   34.809 0.000000 34.80882 
1 1 1   88   12    7 o   61.306   27.188  325.720  2693.26   0.0000   0.0000  325.720  2693.26  ?   ?    61.306   27.188 0.000000 27.18825 
1 1 1   88   12    8 o   80.229   30.770  3303.33  2809.79   0.0000   0.0000  3303.33  2809.79  ?   ?    80.229   30.770 0.000000 30.77033 
1 1 1   88   12    9 o  128.502   33.209  9662.50  3490.06 17279.45 17802.28  9358.05  3559.12   99.764   50.086  124.984   34.116 -25.22028 60.60153 
1 1 1   88   14    0 o   76.932   34.320  1204.02  4356.17   0.0000   0.0000  1204.02  4356.17  ?   ?    76.932   34.320 0.000000 34.31989 
1 1 1   88   14    1 o  107.479   38.627  6867.60  4294.69   0.0000   0.0000  6867.60  4294.69  ?   ?   107.479   38.627 0.000000 38.62750 
1 1 1   88   14    2 o   53.708   25.227 -1750.7640  2801.11   0.0000   0.0000 -1750.7640  2801.11  ?   ?    53.708   25.227 0.000000 25.22737 
1 1 1   88   14    3 o  116.681   38.397  8187.20  4213.08   0.0000   0.0000  8187.20  4213.08  ?   ?   116.681   38.397 0.000000 38.39656 
1 1 1   88   14    4 o   94.592   35.152  4972.75  3602.15   0.0000   0.0000  4972.75  3602.15  ?   ?    94.592   35.152 0.000000 35.15220 
1 1 1   88   14    5 o   62.276   27.515  437.915  2733.19   0.0000   0.0000  437.915  2733.19  ?   ?    62.276   27.515 0.000000 27.51497 
1 1 1   88   14    6 o   75.456   30.477  2564.40  2885.98   0.0000   0.0000  2564.40  2885.98  ?   ?    75.456   30.477 0.000000 30.47668 
1 1 1   88   14    7 o  200.740   40.164 25277.55  6317.95   0.0000   0.0000 25277.55  6317.95  ?   ?   200.740   40.164 0.000000 40.16412 
1 1 1   88   14    8 o   94.507   35.134  5713.43  3599.22   0.0000   0.0000  5713.43  3599.22  ?   ?    94.507   35.134 0.000000 35.13449 
1 1 1   88   16    0 o  104.395   41.394  7419.66  5224.22   0.0000   0.0000  7419.66  5224.22  ?   ?   104.395   41.394 0.000000 41.39416 
1 1 1   88   16    1 o   82.871   35.255  3164.50  4152.92   0.0000   0.0000  3164.50  4152.92  ?   ?    82.871   35.255 0.000000 35.25538 
1 1 1   88   16    2 o  149.449   44.377 15470.75  5776.20   0.0000   0.0000 15470.75  5776.20  ?   ?   149.449   44.377 0.000000 44.37701 
1 1 1   88   16    3 o  134.874   44.310 13133.52  5611.54   0.0000   0.0000 13133.52  5611.54  ?   ?   134.874   44.310 0.000000 44.30984 
1 1 1   88   16    4 o   98.498   37.430  6160.27  4133.75   0.0000   0.0000  6160.27  4133.75  ?   ?    98.498   37.430 0.000000 37.43002 
1 1 1   88   16    5 o  168.676   42.889 19334.51  5887.17   0.0000   0.0000 19334.51  5887.17  ?   ?   168.676   42.889 0.000000 42.88877 
1 1 1   88   16    6 o   94.092   35.456  5664.27  3689.74   0.0000   0.0000  5664.27  3689.74  ?   ?    94.092   35.456 0.000000 35.45624 
1 1 1   88   16    7 o   83.696   34.347  4290.18  3736.00   0.0000   0.0000  4290.18  3736.00  ?   ?    83.696   34.347 0.000000 34.34749 
1 1 1   88   18    0 o   90.938   40.809  5771.17  6257.10   0.0000   0.0000  5771.17  6257.10  ?   ?    90.938   40.809 0.000000 40.80889 
1 1 1   88   18    1 o   80.024   35.431  3048.17  4555.84   0.0000   0.0000  3048.17  4555.84  ?   ?    80.024   35.431 0.000000 35.43141 
1 1 1   88   18    2 f   59.181   28.093 -1568.3970  3646.24   0.0000   0.0000 -1568.3970  3646.24  ?   ?    59.181   28.093 0.000000 28.09258 
1 1 1   88   18    3 o   58.778   27.821 -1359.3010  3525.94   0.0000   0.0000 -1359.3010  3525.94  ?   ?    58.778   27.821 0.000000 27.82123 
1 1 1   88   18    4 o  141.525   45.945 16628.44  6039.97   0.0000   0.0000 16628.44  6039.97  ?   ?   141.525   45.945 0.000000 45.94482 
1 1 1   88   18    5 o   73.893   32.618  2484.10  3832.47   0.0000   0.0000  2484.10  3832.47  ?   ?    73.893   32.618 0.000000 32.61785 
1 1 1   88   20    0 o   82.369   38.210  4871.08  6107.58   0.0000   0.0000  4871.08  6107.58  ?   ?    82.369   38.210 0.000000 38.21032 
1 1 1   88   20    1 o   64.230   30.719 -694.9469  4530.24   0.0000   0.0000 -694.9469  4530.24  ?   ?    64.230   30.719 0.000000 30.71918 
1 1 1   88   20    2 o  102.604   42.849 10548.71  5955.02   0.0000   0.0000 10548.71  5955.02  ?   ?   102.604   42.849 0.000000 42.84859 
1 1 1   88   20    3 o   63.790   30.248 -180.1468  4205.25   0.0000   0.0000 -180.1468  4205.25  ?   ?    63.790   30.248 0.000000 30.24818 
1 1 1   88   22    0 o   73.225   35.576  3654.25  6678.32   0.0000   0.0000  3654.25  6678.32  ?   ?    73.225   35.576 0.000000 35.57622 
1 1 1   89    1    0 o  115.502   21.481  6004.65  1940.44  6313.11  2500.98  5538.13  3075.71  115.413   27.143  105.538   32.604 9.874680 42.42353 
1 1 1   89    1    1 o  187.712   18.099 15241.94  2724.36 15387.96  3724.01 15073.82  3996.00  183.146   25.754  179.094   28.429 4.051987 38.35989 
1 1 1   89    1    2 o  102.098   18.894  4614.13  1508.61  5163.81  1959.87  3814.86  2363.30  106.072   23.385   89.979   28.691 16.09247 37.01423 
1 1 1   89    1    3 o  161.665   15.787 11170.11  2045.83 11245.91  2778.97 11080.43  3022.87  158.514   22.200  155.651   24.747 2.863800 33.24524 
1 1 1   89    1    4 f  365.198   22.213 59168.25  6555.51 58591.05  9114.30 59786.89  9435.83  346.823   32.753  348.591   33.760 -1.767670 47.03701 
1 1 1   89    1    5 o  290.297   18.309 36501.56  4293.50 33443.44  5929.68 39871.81  6224.94  267.385   27.715  293.888   26.367 -26.50330 38.25327 
1 1 1   89    1    6 o  230.966   23.096 24130.44  4273.21 24130.44  4273.21   0.0000   0.0000  230.966   23.096  ?   ?  0.000000 23.09560 
1 1 1   89    1    7 o  162.737   14.075 11284.02  1841.48 10036.12  2521.09 12711.28  2696.20  148.918   21.470  168.886   20.054 -19.96729 29.37882 
1 1 1   89    1    8 o   63.171   21.850  1725.95  1364.32   0.0000   0.0000  1725.95  1364.32  ?   ?    63.171   21.850 0.000000 21.84950 
1 1 1   89    1    9 o   39.811   16.313  320.724  841.050   9.6718  1182.33  639.351  1196.64   42.415   18.434   48.671   19.636 -6.255951 26.93294 
1 1 1   89    1   10 o  116.104   15.143  5923.82  1393.57  5968.51  2024.92  5883.60  1920.82  111.239   23.171  111.259   22.042 -0.1930237E-01 31.98037 
1 1 1   89    3    0 o   38.390   10.131  631.258  320.418  631.258  320.418   0.0000   0.0000   38.390   10.131  ?   ?  0.000000 10.13146 
1 1 1   89    3    1 o   81.509   9.0298  2768.51  587.578  2768.51  587.578   0.0000   0.0000   81.509   9.0298  ?   ?  0.000000 9.029810 
1 1 1   89    3    2 o  103.715   20.506  4826.87  1665.63  4826.87  1665.63   0.0000   0.0000  103.715   20.506  ?   ?  0.000000 20.50552 
1 1 1   89    3    3 o  113.503   15.432  5540.75  1385.38  3499.47  1645.78 10504.16  2566.32   87.186   22.939  153.691   21.123 -66.50520 31.18286 
1 1 1   89    3    4 f  183.883   15.200 14399.73  2249.12 13907.80  2839.96 15227.33  3683.60  177.720   20.030  181.743   25.677 -4.023407 32.56519 
1 1 1   89    3    5 f   64.377   16.936  1839.22  897.172  1769.79  1037.39  2045.23  1787.00   63.237   18.813   69.718   24.932 -6.481693 31.23327 
1 1 1   89    3    6 o   73.944   16.450  2424.62  962.188  1833.93  1181.96  3585.12  1656.71   64.382   20.265   87.733   22.982 -23.35042 30.64026 
1 1 1   89    3    7 o  145.031   14.235  8994.09  1654.66  7193.18  2128.98 11741.55  2629.61  125.487   21.679  161.821   20.471 -36.33447 29.81656 
1 1 1   89    3    8 o   82.004   16.392  2993.68  1053.31  1966.48  1332.44  4705.04  1719.85   66.097   21.586  100.534   21.704 -34.43695 30.61073 
1 1 1   89    3    9 o   80.343   17.057  2914.81  1078.33  2583.33  1391.50  3413.11  1706.12   74.037   21.727   83.920   23.891 -9.883423 32.29325 
1 1 1   89    3   10 o   99.173   24.743  4893.61  1985.92 24512.76 14225.51  4503.66  2005.56  123.988   57.784   94.501   25.533 29.48681 63.17400 
1 1 1   89    5    0 o   54.552   12.410  1290.12  537.281  1392.27  550.226 -804.4959  2491.56   56.724   12.301   55.819   25.334 0.9048271 28.16199 
1 1 1   89    5    1 o  127.158   11.705  6783.29  1194.94  6441.79  1288.33  8885.71  3196.63  123.407   13.056  135.234   29.906 -11.82753 32.63114 
1 1 1   89    5    2 o  117.206   10.185  5724.43  959.635  4997.80  1020.40 11286.41  2823.10  108.996   11.714  158.272   22.610 -49.27617 25.46429 
1 1 1   89    5    3 o  158.523   29.131 12034.13  3611.38   0.0000   0.0000 12034.13  3611.38  ?   ?   158.523   29.131 0.000000 29.13055 
1 1 1   89    5    4 o  174.266   14.247 12885.63  1998.35  9228.63  2381.56 21586.65  3673.53  143.646   21.043  220.898   20.723 -77.25230 29.53396 
1 1 1   89    5    5 o   31.193   12.864  141.877  527.226  401.664  554.680 -2289.2900  1696.84   36.041   13.707   38.193   18.404 -2.151737 22.94757 
1 1 1   89    5    6 o  171.078   14.322 12475.90  1971.14 10615.56  2448.60 15901.18  3322.54  154.299   20.016  187.348   22.278 -33.04892 29.94917 
1 1 1   89    5    7 o  106.087   14.446  4862.21  1212.03  3918.51  1446.52  7086.01  2220.52   92.681   19.822  123.433   23.002 -30.75153 30.36445 
1 1 1   89    5    8 o   55.737   17.491  1365.81  881.332  566.393  1022.00  3685.11  1740.77   45.636   18.240   87.553   23.843 -41.91710 30.01977 
1 1 1   89    5    9 o   96.242   15.812  4107.16  1192.70  3162.15  1433.40  6233.92  2150.34   81.635   21.374  113.491   24.081 -31.85622 32.19788 
1 1 1   89    5   10 o   26.066   12.850 -1942.3020  972.231 -23872.9004 16063.72 -1861.6730  974.017   78.977   40.418   26.438   13.000 52.53833 42.45704 
1 1 1   89    7    0 o  131.588   35.166  9062.55  3829.15   0.0000   0.0000  9062.55  3829.15  ?   ?   131.588   35.166 0.000000 35.16570 
1 1 1   89    7    1 o   68.918   28.667  1233.11  2650.43   0.0000   0.0000  1233.11  2650.43  ?   ?    68.918   28.667 0.000000 28.66687 
1 1 1   89    7    2 o  181.716   33.803 16622.55  4804.03   0.0000   0.0000 16622.55  4804.03  ?   ?   181.716   33.803 0.000000 33.80324 
1 1 1   89    7    3 o   91.118   31.009  4014.78  2744.83   0.0000   0.0000  4014.78  2744.83  ?   ?    91.118   31.009 0.000000 31.00899 
1 1 1   89    7    4 o   53.145   23.597 -251.9651  2034.47   0.0000   0.0000 -251.9651  2034.47  ?   ?    53.145   23.597 0.000000 23.59659 
1 1 1   89    7    5 o  166.857   31.579 13911.10  4121.73   0.0000   0.0000 13911.10  4121.73  ?   ?   166.857   31.579 0.000000 31.57920 
1 1 1   89    7    6 f   65.098   26.420  1327.74  2180.07   0.0000   0.0000  1327.74  2180.07  ?   ?    65.098   26.420 0.000000 26.41984 
1 1 1   89    7    7 o  143.035   12.432  8678.21  1429.50  7105.15  1626.62 14014.19  2995.85  127.500   16.069  175.242   21.506 -47.74184 26.84611 
1 1 1   89    7    8 o   75.020   26.132  2662.20  1953.26   0.0000   0.0000  2662.20  1953.26  ?   ?    75.020   26.132 0.000000 26.13234 
1 1 1   89    7    9 o  113.350   30.429  6910.50  2859.40 -15483.4600 16379.54  7614.41  2903.99   85.173   43.343  119.736   29.947 -34.56387 52.68188 
1 1 1   89    7   10 o  110.810   27.991  6508.17  2519.26 -23955.0898 17049.96  7188.09  2547.22   78.923   40.479  117.481   27.234 -38.55782 48.78775 
1 1 1   89    9    0 o  131.884   39.073  9784.50  4481.75   0.0000   0.0000  9784.50  4481.75  ?   ?   131.884   39.073 0.000000 39.07315 
1 1 1   89    9    1 o   88.160   32.513  3677.86  3069.84   0.0000   0.0000  3677.86  3069.84  ?   ?    88.160   32.513 0.000000 32.51255 
1 1 1   89    9    2 o   71.355   29.775  1428.52  2872.39   0.0000   0.0000  1428.52  2872.39  ?   ?    71.355   29.775 0.000000 29.77534 
1 1 1   89    9    3 o  137.380   34.021  9846.05  3775.03   0.0000   0.0000  9846.05  3775.03  ?   ?   137.380   34.021 0.000000 34.02090 
1 1 1   89    9    4 o   85.608   31.302  3469.04  2836.89   0.0000   0.0000  3469.04  2836.89  ?   ?    85.608   31.302 0.000000 31.30229 
1 1 1   89    9    5 o  110.454   34.497  6580.85  3432.69   0.0000   0.0000  6580.85  3432.69  ?   ?   110.454   34.497 0.000000 34.49680 
1 1 1   89    9    6 o   96.613   33.515  4952.77  3211.22   0.0000   0.0000  4952.77  3211.22  ?   ?    96.613   33.515 0.000000 33.51511 
1 1 1   89    9    7 o   75.157   28.298  2566.16  2349.32   0.0000   0.0000  2566.16  2349.32  ?   ?    75.157   28.298 0.000000 28.29776 
1 1 1   89    9    8 o   84.263   30.209  3668.94  2625.20   0.0000   0.0000  3668.94  2625.20  ?   ?    84.263   30.209 0.000000 30.20914 
1 1 1   89    9    9 o   67.722   27.245  1882.05  2296.67 15870.73 15042.07  1548.17  2323.91  105.888   51.866   65.371   26.988 40.51669 58.46744 
1 1 1   89   11    0 o  113.048   38.187  7297.79  4162.46   0.0000   0.0000  7297.79  4162.46  ?   ?   113.048   38.187 0.000000 38.18745 
1 1 1   89   11    1 o  128.266   39.965  9642.67  4610.18   0.0000   0.0000  9642.67  4610.18  ?   ?   128.266   39.965 0.000000 39.96463 
1 1 1   89   11    2 o   91.803   35.067  4202.73  3640.01   0.0000   0.0000  4202.73  3640.01  ?   ?    91.803   35.067 0.000000 35.06675 
1 1 1   89   11    3 o   59.567   26.982 -505.5081  2809.83   0.0000   0.0000 -505.5081  2809.83  ?   ?    59.567   26.982 0.000000 26.98223 
1 1 1   89   11    4 o  190.738   36.773 19811.67  5488.67   0.0000   0.0000 19811.67  5488.67  ?   ?   190.738   36.773 0.000000 36.77290 
1 1 1   89   11    5 o   53.362   24.453 -833.5734  2394.80   0.0000   0.0000 -833.5734  2394.80  ?   ?    53.362   24.453 0.000000 24.45299 
1 1 1   89   11    6 o  162.493   35.799 14721.63  4595.84   0.0000   0.0000 14721.63  4595.84  ?   ?   162.493   35.799 0.000000 35.79933 
1 1 1   89   11    7 f   86.183   32.050  3928.57  2995.38   0.0000   0.0000  3928.57  2995.38  ?   ?    86.183   32.050 0.000000 32.04959 
1 1 1   89   11    8 o   56.774   25.677 -154.7947  2533.26   0.0000   0.0000 -154.7947  2533.26  ?   ?    56.774   25.677 0.000000 25.67715 
1 1 1   89   11    9 o   60.379   25.791  1022.91  2238.97   0.0000   0.0000  1022.91  2238.97  ?   ?    60.379   25.791 0.000000 25.79136 
1 1 1   89   13    0 o   48.193   23.356 -3498.6001  2830.78   0.0000   0.0000 -3498.6001  2830.78  ?   ?    48.193   23.356 0.000000 23.35596 
1 1 1   89   13    1 o  136.872   42.923 12021.56  5308.35   0.0000   0.0000 12021.56  5308.35  ?   ?   136.872   42.923 0.000000 42.92314 
1 1 1   89   13    2 o   92.709   35.438  4576.49  3719.01   0.0000   0.0000  4576.49  3719.01  ?   ?    92.709   35.438 0.000000 35.43753 
1 1 1   89   13    3 o  104.351   36.673  6307.15  3850.77   0.0000   0.0000  6307.15  3850.77  ?   ?   104.351   36.673 0.000000 36.67270 
1 1 1   89   13    4 o   86.499   34.567  3755.55  3669.95   0.0000   0.0000  3755.55  3669.95  ?   ?    86.499   34.567 0.000000 34.56741 
1 1 1   89   13    5 o   45.984   21.846 -1931.0990  2214.16   0.0000   0.0000 -1931.0990  2214.16  ?   ?    45.984   21.846 0.000000 21.84645 
1 1 1   89   13    6 o   98.179   34.694  5679.20  3450.65   0.0000   0.0000  5679.20  3450.65  ?   ?    98.179   34.694 0.000000 34.69408 
1 1 1   89   13    7 o  114.008   39.130  8779.24  4371.73   0.0000   0.0000  8779.24  4371.73  ?   ?   114.008   39.130 0.000000 39.13020 
1 1 1   89   13    8 o   68.893   29.148  1886.46  2812.74   0.0000   0.0000  1886.46  2812.74  ?   ?    68.893   29.148 0.000000 29.14812 
1 1 1   89   15    0 o   81.233   35.389  2670.79  4379.27   0.0000   0.0000  2670.79  4379.27  ?   ?    81.233   35.389 0.000000 35.38936 
1 1 1   89   15    1 o   92.865   37.397  4987.50  4331.41   0.0000   0.0000  4987.50  4331.41  ?   ?    92.865   37.397 0.000000 37.39683 
1 1 1   89   15    2 o  136.781   43.009 12784.95  5325.74   0.0000   0.0000 12784.95  5325.74  ?   ?   136.781   43.009 0.000000 43.00945 
1 1 1   89   15    3 o  118.220   40.429  9343.59  4666.06   0.0000   0.0000  9343.59  4666.06  ?   ?   118.220   40.429 0.000000 40.42912 
1 1 1   89   15    4 o   81.945   33.812  3373.16  3644.69   0.0000   0.0000  3373.16  3644.69  ?   ?    81.945   33.812 0.000000 33.81158 
1 1 1   89   15    5 o   91.351   35.146  5028.65  3672.89   0.0000   0.0000  5028.65  3672.89  ?   ?    91.351   35.146 0.000000 35.14600 
1 1 1   89   15    6 o  103.334   36.365  6988.73  3787.32   0.0000   0.0000  6988.73  3787.32  ?   ?   103.334   36.365 0.000000 36.36529 
1 1 1   89   15    7 o   67.114   29.677  1372.28  3185.99   0.0000   0.0000  1372.28  3185.99  ?   ?    67.114   29.677 0.000000 29.67670 
1 1 1   89   17    0 o   63.841   30.351 -1446.3380  4287.27   0.0000   0.0000 -1446.3380  4287.27  ?   ?    63.841   30.351 0.000000 30.35052 
1 1 1   89   17    1 o  170.498   50.967 24606.59  7600.36   0.0000   0.0000 24606.59  7600.36  ?   ?   170.498   50.967 0.000000 50.96737 
1 1 1   89   17    2 o   73.959   33.106  1825.51  4090.28   0.0000   0.0000  1825.51  4090.28  ?   ?    73.959   33.106 0.000000 33.10562 
1 1 1   89   17    3 f   47.398   23.206 -3864.8440  3001.30   0.0000   0.0000 -3864.8440  3001.30  ?   ?    47.398   23.206 0.000000 23.20616 
1 1 1   89   17    4 o   60.981   28.402 -473.5022  3427.79   0.0000   0.0000 -473.5022  3427.79  ?   ?    60.981   28.402 0.000000 28.40160 
1 1 1   89   17    5 o   97.367   38.171  7005.49  4395.83   0.0000   0.0000  7005.49  4395.83  ?   ?    97.367   38.171 0.000000 38.17122 
1 1 1   89   19    0 o   93.973   41.874  8506.67  6464.81   0.0000   0.0000  8506.67  6464.81  ?   ?    93.973   41.874 0.000000 41.87396 
1 1 1   89   19    1 o   79.367   36.053  3676.16  5060.35   0.0000   0.0000  3676.16  5060.35  ?   ?    79.367   36.053 0.000000 36.05276 
1 1 1   89   19    2 o   84.515   37.376  5144.68  5054.96   0.0000   0.0000  5144.68  5054.96  ?   ?    84.515   37.376 0.000000 37.37584 
1 1 1   89   19    3 o   81.598   36.214  4508.60  4786.49   0.0000   0.0000  4508.60  4786.49  ?   ?    81.598   36.214 0.000000 36.21362 
1 1 1   89   19    4 o   74.882   33.912  3015.04  4435.60   0.0000   0.0000  3015.04  4435.60  ?   ?    74.882   33.912 0.000000 33.91189 
1 1 1   89   21    0 o   86.600   40.721  9778.59  7331.10   0.0000   0.0000  9778.59  7331.10  ?   ?    86.600   40.721 0.000000 40.72087 
1 1 1   89   21    1 o   63.728   30.304  519.904  4279.38   0.0000   0.0000  519.904  4279.38  ?   ?    63.728   30.304 0.000000 30.30420 
1 1 1   90    0    0 o   82.513   37.810  4619.82  2766.34   0.0000   0.0000  4619.82  2766.34   82.513   37.810   82.513   37.810 0.000000 0.000000 
1 1 1   90    0    1 o  224.319   28.875 23474.11  5019.79   0.0000   0.0000 23474.11  5019.79  224.319   28.875  224.319   28.875 0.000000 0.000000 
1 1 1   90    0    2 o   41.700   25.215  872.397  1568.93   0.0000   0.0000  872.397  1568.93   41.700   25.215   41.700   25.215 0.000000 0.000000 
1 1 1   90    0    3 o  251.542   27.504 29308.70  5446.75   0.0000   0.0000 29308.70  5446.75  251.542   27.504  251.542   27.504 0.000000 0.000000 
1 1 1   90    0    4 o  341.151   33.153 56552.92  8984.34   0.0000   0.0000 56552.92  8984.34  341.151   33.153  341.151   33.153 0.000000 0.000000 
1 1 1   90    0    5 o  290.291   28.524 39883.03  6574.37   0.0000   0.0000 39883.03  6574.37  290.291   28.524  290.291   28.524 0.000000 0.000000 
1 1 1   90    0    6 o  250.430   25.597 29377.13  5080.24   0.0000   0.0000 29377.13  5080.24  250.430   25.597  250.430   25.597 0.000000 0.000000 
1 1 1   90    0    8 o   45.293   24.943  1429.52  1329.43   0.0000   0.0000  1429.52  1329.43   45.293   24.943   45.293   24.943 0.000000 0.000000 
1 1 1   90    0    9 o   72.951   27.159  3319.52  1496.71   0.0000   0.0000  3319.52  1496.71   72.951   27.159   72.951   27.159 0.000000 0.000000 
1 1 1   90    0   10 o   44.410   24.883  1473.13  1349.48  5043.95 14782.96  1443.12  1355.14   59.471   43.758   44.036   24.830 0.000000 0.000000 
1 1 1   90    2    0 o   37.673   9.3476  608.550  284.571  619.931  287.174 -10.8905  2118.55   38.019   9.3642   55.856   24.466 -17.83680 26.19697 
1 1 1   90    2    1 o   66.902   20.674  1985.18  1236.56  2253.65  1516.22  1451.92  2136.86   71.156   23.012   66.645   26.459 4.510391 35.06590 
1 1 1   90    2    2 o  105.593   18.158  4916.28  1500.68  5709.48  1881.25  3528.37  2488.47  112.389   21.397   86.822   29.526 25.56745 36.46327 
1 1 1   90    2    3 o  222.779   23.470 22422.71  4181.68 22422.71  4181.68   0.0000   0.0000  222.779   23.470  ?   ?  0.000000 23.47043 
1 1 1   90    2    4 o  176.208   20.574 13781.72  2888.17 13781.72  2888.17   0.0000   0.0000  176.208   20.574  ?   ?  0.000000 20.57376 
1 1 1   90    2    5 o  167.281   14.406 11916.71  1937.62 10351.13  2550.95 14051.76  2978.99  151.758   21.288  177.252   21.114 -25.49432 29.98275 
1 1 1   90    2    6 o  279.328   17.641 33917.11  3980.41 28455.88  5412.81 40347.92  5873.69  244.312   27.780  295.691   24.690 -51.37910 37.16630 
1 1 1   90    2    7 o  123.729   14.212  6580.88  1401.91  6840.84  1848.19  6228.65  2151.37  123.604   19.025  114.905   23.840 8.699074 30.50104 
1 1 1   90    2    8 o   56.062   17.687  1383.75  899.972  1687.35  1180.73  962.805  1390.30   61.639   20.329   54.326   21.413 7.313259 29.52604 
1 1 1   90    2    9 f   71.959   23.716  2456.30  1607.10   0.0000   0.0000  2456.30  1607.10  ?   ?    71.959   23.716 0.000000 23.71615 
1 1 1   90    2   10 f   48.180   18.159  864.675  967.949  1984.50  1330.62 -393.9152  1410.66   65.153   21.585   42.472   19.189 22.68061 28.88155 
1 1 1   90    4    0 o   46.350   10.996  927.487  407.582  932.234  413.981  777.499  2327.14   46.456   11.122   63.095   26.594 -16.63910 28.82606 
1 1 1   90    4    1 o   46.960   9.4343  941.871  347.240  979.362  351.890 -448.7727  2143.12   47.917   9.3802   53.499   23.954 -5.582142 25.72531 
1 1 1   90    4    2 o   77.773   8.1409  2513.07  506.470  2422.32  520.169  4168.40  2221.53   76.251   8.5488   93.249   27.478 -16.99884 28.77693 
1 1 1   90    4    3 o  110.992   15.060  5304.10  1322.19  5238.96  1517.98  5508.93  2691.51  109.143   17.738  105.576   29.990 3.566963 34.84337 
1 1 1   90    4    4 o   87.546   16.010  3358.69  1096.12  2456.93  1242.17  6531.41  2329.98   73.572   20.185  117.888   25.110 -44.31548 32.21737 
1 1 1   90    4    5 o  149.103   14.145  9477.74  1691.95  7598.93  2074.29 13212.82  2924.67  130.152   20.290  171.331   21.497 -41.17935 29.55965 
1 1 1   90    4    6 o  117.332   14.328  5918.56  1336.65  4409.35  1631.46  9000.02  2331.21   97.908   21.141  141.025   20.999 -43.11743 29.79771 
1 1 1   90    4    7 o   29.063   13.482 -589.5216  760.326 -1431.3409  834.690  3513.40  1842.73   25.534   12.444   85.363   24.989 -59.82911 27.91642 
1 1 1   90    4    8 o  129.003   14.783  7224.04  1520.53  5618.75  1912.57  9981.57  2506.69  109.197   22.324  146.910   21.664 -37.71243 31.10816 
1 1 1   90    4    9 o   48.398   20.864  230.269  1490.31   0.0000   0.0000  230.269  1490.31  ?   ?    48.398   20.864 0.000000 20.86419 
1 1 1   90    4   10 o   64.789   24.350  1861.76  1737.98 26038.39 15650.46  1559.89  1748.80  115.922   55.867   61.903   24.129 54.01925 60.85529 
1 1 1   90    6    0 o  115.350   35.660  7078.01  3678.72   0.0000   0.0000  7078.01  3678.72  ?   ?   115.350   35.660 0.000000 35.66027 
1 1 1   90    6    1 o  115.581   34.376  6978.10  3463.96   0.0000   0.0000  6978.10  3463.96  ?   ?   115.581   34.376 0.000000 34.37581 
1 1 1   90    6    2 o  269.047   35.483 37020.82  7562.50   0.0000   0.0000 37020.82  7562.50  ?   ?   269.047   35.483 0.000000 35.48344 
1 1 1   90    6    3 o  185.528   31.188 16952.08  4531.58   0.0000   0.0000 16952.08  4531.58  ?   ?   185.528   31.188 0.000000 31.18824 
1 1 1   90    6    4 o   54.609   24.404 -346.1675  2212.80   0.0000   0.0000 -346.1675  2212.80  ?   ?    54.609   24.404 0.000000 24.40369 
1 1 1   90    6    5 o   38.966   18.742 -2228.2739  1740.43   0.0000   0.0000 -2228.2739  1740.43  ?   ?    38.966   18.742 0.000000 18.74174 
1 1 1   90    6    6 o  130.778   13.258  7294.78  1388.36  5578.65  1592.65 12726.56  2833.46  111.855   18.159  167.400   21.331 -55.54523 28.01307 
1 1 1   90    6    7 o   88.379   14.088  3400.48  977.022  3633.38  1088.58  2435.70  2215.61   90.902   15.291   73.907   27.548 16.99457 31.50773 
1 1 1   90    6    8 o   96.968   27.952  4829.37  2321.58   0.0000   0.0000  4829.37  2321.58  ?   ?    96.968   27.952 0.000000 27.95244 
1 1 1   90    6    9 o   32.532   15.870 -2191.3789  1367.09   0.0000   0.0000 -2191.3789  1367.09  ?   ?    32.532   15.870 0.000000 15.87032 
1 1 1   90    8    0 f   70.689   30.197  1123.11  3069.45   0.0000   0.0000  1123.11  3069.45  ?   ?    70.689   30.197 0.000000 30.19672 
1 1 1   90    8    1 o   97.100   34.760  4824.65  3474.45   0.0000   0.0000  4824.65  3474.45  ?   ?    97.100   34.760 0.000000 34.75972 
1 1 1   90    8    2 o  118.997   34.161  7479.99  3473.80   0.0000   0.0000  7479.99  3473.80  ?   ?   118.997   34.161 0.000000 34.16057 
1 1 1   90    8    3 o  184.810   33.262 17418.11  4807.75   0.0000   0.0000 17418.11  4807.75  ?   ?   184.810   33.262 0.000000 33.26207 
1 1 1   90    8    4 o   60.740   25.914  628.437  2255.22   0.0000   0.0000  628.437  2255.22  ?   ?    60.740   25.914 0.000000 25.91360 
1 1 1   90    8    5 o  129.395   34.790  9070.17  3734.33   0.0000   0.0000  9070.17  3734.33  ?   ?   129.395   34.790 0.000000 34.79032 
1 1 1   90    8    6 o   66.027   27.537  1257.31  2454.76   0.0000   0.0000  1257.31  2454.76  ?   ?    66.027   27.537 0.000000 27.53665 
1 1 1   90    8    7 o   45.528   21.273 -1291.9139  1947.57   0.0000   0.0000 -1291.9139  1947.57  ?   ?    45.528   21.273 0.000000 21.27255 
1 1 1   90    8    8 o  156.219   30.608 12865.78  3743.66   0.0000   0.0000 12865.78  3743.66  ?   ?   156.219   30.608 0.000000 30.60831 
1 1 1   90    8    9 o  128.178   31.725  9172.88  3283.99   0.0000   0.0000  9172.88  3283.99  ?   ?   128.178   31.725 0.000000 31.72459 
1 1 1   90   10    0 o   72.859   30.782  1544.63  3129.57   0.0000   0.0000  1544.63  3129.57  ?   ?    72.859   30.782 0.000000 30.78161 
1 1 1   90   10    1 o  134.519   39.796 10571.39  4651.73   0.0000   0.0000 10571.39  4651.73  ?   ?   134.519   39.796 0.000000 39.79641 
1 1 1   90   10    2 o   46.420   22.323 -2850.2590  2466.58   0.0000   0.0000 -2850.2590  2466.58  ?   ?    46.420   22.323 0.000000 22.32271 
1 1 1   90   10    3 o  132.351   35.900  9659.02  3955.66   0.0000   0.0000  9659.02  3955.66  ?   ?   132.351   35.900 0.000000 35.89971 
1 1 1   90   10    4 o   61.555   26.343  700.317  2343.59   0.0000   0.0000  700.317  2343.59  ?   ?    61.555   26.343 0.000000 26.34268 
1 1 1   90   10    5 o  103.568   33.163  5845.47  3154.76   0.0000   0.0000  5845.47  3154.76  ?   ?   103.568   33.163 0.000000 33.16259 
1 1 1   90   10    6 o   89.712   33.908  4289.92  3380.88   0.0000   0.0000  4289.92  3380.88  ?   ?    89.712   33.908 0.000000 33.90786 
1 1 1   90   10    7 o   76.117   29.450  2729.83  2590.16   0.0000   0.0000  2729.83  2590.16  ?   ?    76.117   29.450 0.000000 29.44991 
1 1 1   90   10    8 o  127.616   32.720  9243.93  3406.46   0.0000   0.0000  9243.93  3406.46  ?   ?   127.616   32.720 0.000000 32.72005 
1 1 1   90   12    0 o   77.528   32.939  2110.71  3616.25   0.0000   0.0000  2110.71  3616.25  ?   ?    77.528   32.939 0.000000 32.93851 
1 1 1   90   12    1 o  120.060   39.462  8772.06  4450.64   0.0000   0.0000  8772.06  4450.64  ?   ?   120.060   39.462 0.000000 39.46207 
1 1 1   90   12    2 o   76.841   31.848  2272.09  3254.47   0.0000   0.0000  2272.09  3254.47  ?   ?    76.841   31.848 0.000000 31.84773 
1 1 1   90   12    3 o  104.017   36.210  6232.49  3749.88   0.0000   0.0000  6232.49  3749.88  ?   ?   104.017   36.210 0.000000 36.20958 
1 1 1   90   12    4 o   80.630   33.001  2897.82  3437.45   0.0000   0.0000  2897.82  3437.45  ?   ?    80.630   33.001 0.000000 33.00133 
1 1 1   90   12    5 o   61.814   26.907  659.532  2527.03   0.0000   0.0000  659.532  2527.03  ?   ?    61.814   26.907 0.000000 26.90690 
1 1 1   90   12    6 o  145.867   40.636 13716.02  4991.69   0.0000   0.0000 13716.02  4991.69  ?   ?   145.867   40.636 0.000000 40.63560 
1 1 1   90   12    7 o   61.834   27.669  403.999  2854.54   0.0000   0.0000  403.999  2854.54  ?   ?    61.834   27.669 0.000000 27.66872 
1 1 1   90   12    8 o  138.515   36.203 11980.79  4117.17   0.0000   0.0000 11980.79  4117.17  ?   ?   138.515   36.203 0.000000 36.20313 
1 1 1   90   14    0 o   79.205   34.452  2379.31  4137.03   0.0000   0.0000  2379.31  4137.03  ?   ?    79.205   34.452 0.000000 34.45205 
1 1 1   90   14    1 o   94.985   38.787  5390.29  4734.68   0.0000   0.0000  5390.29  4734.68  ?   ?    94.985   38.787 0.000000 38.78714 
1 1 1   90   14    2 o  158.320   43.796 16781.02  5819.80   0.0000   0.0000 16781.02  5819.80  ?   ?   158.320   43.796 0.000000 43.79587 
1 1 1   90   14    3 o  103.346   39.448  6978.73  4604.42   0.0000   0.0000  6978.73  4604.42  ?   ?   103.346   39.448 0.000000 39.44820 
1 1 1   90   14    4 o   88.851   34.980  4493.49  3706.00   0.0000   0.0000  4493.49  3706.00  ?   ?    88.851   34.980 0.000000 34.98022 
1 1 1   90   14    5 f  109.719   37.429  7809.27  3999.12   0.0000   0.0000  7809.27  3999.12  ?   ?   109.719   37.429 0.000000 37.42889 
1 1 1   90   14    6 o   90.824   34.065  5025.97  3398.08   0.0000   0.0000  5025.97  3398.08  ?   ?    90.824   34.065 0.000000 34.06477 
1 1 1   90   14    7 o   86.944   35.074  4807.55  3817.35   0.0000   0.0000  4807.55  3817.35  ?   ?    86.944   35.074 0.000000 35.07405 
1 1 1   90   16    0 o  103.487   42.096  8310.46  5550.05   0.0000   0.0000  8310.46  5550.05  ?   ?   103.487   42.096 0.000000 42.09633 
1 1 1   90   16    1 o  101.854   40.545  7579.21  5030.12   0.0000   0.0000  7579.21  5030.12  ?   ?   101.854   40.545 0.000000 40.54471 
1 1 1   90   16    2 o  140.886   47.908 16792.04  6551.68   0.0000   0.0000 16792.04  6551.68  ?   ?   140.886   47.908 0.000000 47.90794 
1 1 1   90   16    3 o  126.032   43.389 12302.02  5376.99   0.0000   0.0000 12302.02  5376.99  ?   ?   126.032   43.389 0.000000 43.38853 
1 1 1   90   16    4 f  115.839   41.586 10315.74  4976.40   0.0000   0.0000 10315.74  4976.40  ?   ?   115.839   41.586 0.000000 41.58579 
1 1 1   90   16    5 o  119.693   43.193 11879.76  5375.92   0.0000   0.0000 11879.76  5375.92  ?   ?   119.693   43.193 0.000000 43.19296 
1 1 1   90   18    0 o   91.162   40.553  7114.40  6036.44   0.0000   0.0000  7114.40  6036.44  ?   ?    91.162   40.553 0.000000 40.55307 
1 1 1   90   18    1 o  157.457   53.865 27004.20  8282.85   0.0000   0.0000 27004.20  8282.85  ?   ?   157.457   53.865 0.000000 53.86523 
1 1 1   90   18    2 o   59.889   28.646 -1446.4091  3941.35   0.0000   0.0000 -1446.4091  3941.35  ?   ?    59.889   28.646 0.000000 28.64553 
1 1 1   90   18    3 o  100.826   41.118  9027.59  5311.88   0.0000   0.0000  9027.59  5311.88  ?   ?   100.826   41.118 0.000000 41.11780 
1 1 1   90   18    4 o   67.591   31.235  1140.41  4024.03   0.0000   0.0000  1140.41  4024.03  ?   ?    67.591   31.235 0.000000 31.23483 
1 1 1   90   20    0 o   70.610   34.089  1648.21  5886.76   0.0000   0.0000  1648.21  5886.76  ?   ?    70.610   34.089 0.000000 34.08874 
1 1 1   90   20    1 o   78.176   36.457  4761.50  5676.64   0.0000   0.0000  4761.50  5676.64  ?   ?    78.176   36.457 0.000000 36.45675 
1 1 1   91    1    0 o  150.417   20.605 10101.07  2450.39  7996.52  3240.21 12912.62  3745.12  125.984   31.701  163.433   29.298 -37.44894 43.16653 
1 1 1   91    1    1 o  129.279   19.308  7407.39  1964.62  6818.22  2682.94  8088.56  2884.83  118.564   28.268  129.459   28.239 -10.89494 39.95617 
1 1 1   91    1    2 o  108.740   18.993  5260.70  1615.91  5012.83  2103.32  5617.75  2524.36  102.913   25.340  107.290   28.496 -4.377586 38.13285 
1 1 1   91    1    3 o  155.597   16.288 10446.66  2027.26 11311.83  2718.65  9363.03  3042.59  158.538   21.688  139.784   27.786 18.75443 35.24793 
1 1 1   91    1    4 o   38.198   16.290   71.963  890.512 -563.1241  1111.35  1211.17  1488.46   36.977   16.835   58.533   22.408 -21.55619 28.02772 
1 1 1   91    1    5 o   66.091   20.885  1952.95  1254.41  1952.95  1254.41   0.0000   0.0000   66.091   20.885  ?   ?  0.000000 20.88502 
1 1 1   91    1    6 o   51.123   19.187  941.110  1078.42  941.110  1078.42   0.0000   0.0000   51.123   19.187  ?   ?  0.000000 19.18724 
1 1 1   91    1    7 o   23.822   11.463 -931.4627  652.818 -735.4318  821.001 -1268.5040  1076.52   29.391   13.758   31.628   15.084 -2.237244 20.41631 
1 1 1   91    1    8 o   51.047   20.372  788.322  1272.84   0.0000   0.0000  788.322  1272.84  ?   ?    51.047   20.372 0.000000 20.37176 
1 1 1   91    1    9 o  134.120   14.536  7847.15  1557.69  7715.77  2168.75  7987.15  2238.72  127.916   21.653  129.894   22.012 -1.978096 30.87746 
1 1 1   91    3    0 o   57.564   9.6959  1406.42  437.080  1406.42  437.080   0.0000   0.0000   57.564   9.6959  ?   ?  0.000000 9.695921 
1 1 1   91    3    1 f   14.327   6.4284 -72.4068  155.215 -72.4068  155.215   0.0000   0.0000   14.327   6.4284  ?   ?  0.000000 6.428425 
1 1 1   91    3    2 o  250.260   18.033 27210.22  3639.86 25390.75  4747.42 29805.15  5669.55  234.474   25.339  250.477   28.377 -16.00316 38.04377 
1 1 1   91    3    3 o  274.586   18.204 32804.86  4035.76 29541.90  5275.66 37408.04  6266.14  251.811   26.186  281.312   27.797 -29.50075 38.18819 
1 1 1   91    3    4 o   60.183   17.424  1605.06  900.282  1046.11  1037.22  3312.51  1812.84   52.279   18.956   83.778   24.857 -31.49955 31.26037 
1 1 1   91    3    5 o  210.931   15.495 19108.01  2635.30 17010.71  3431.74 22122.32  4114.13  193.513   22.245  219.666   23.428 -26.15311 32.30651 
1 1 1   91    3    6 o  101.544   15.752  4515.03  1256.70  4341.59  1522.04  4886.56  2227.60   97.547   19.891   99.644   26.904 -2.096359 33.45803 
1 1 1   91    3    7 o   92.584   16.360  3805.20  1184.86  3544.83  1420.90  4399.55  2146.74   87.399   20.395   94.016   26.811 -6.617058 33.68637 
1 1 1   91    3    8 o  150.055   14.425  9747.89  1735.87  9494.75  2283.67 10094.32  2671.48  144.084   20.065  145.890   23.339 -1.806702 30.77806 
1 1 1   91    3    9 o   41.872   18.821 -328.8052  1336.75   0.0000   0.0000 -328.8052  1336.75  ?   ?    41.872   18.821 0.000000 18.82087 
1 1 1   91    5    0 o  103.096   12.282  4509.32  1007.91  4123.96  1062.99  7941.64  3172.41   98.010   13.735  125.300   31.279 -27.29029 34.16159 
1 1 1   91    5    1 o   48.714   22.373 -999.3356  2019.94   0.0000   0.0000 -999.3356  2019.94  ?   ?    48.714   22.373 0.000000 22.37276 
1 1 1   91    5    2 o   53.773   10.566  1240.66  444.901  1108.34  453.854  4495.33  2250.94   50.619   11.326   96.142   27.466 -45.52325 29.70985 
1 1 1   91    5    3 o   47.164   8.8471  946.745  326.363  994.604  330.955 -742.1708  1966.05   48.393   8.7445   49.318   22.430 -0.9254913 24.07392 
1 1 1   91    5    4 o  118.616   14.620  6056.46  1378.26  4560.43  1560.59 11359.84  2938.29  100.319   19.862  156.633   23.857 -56.31448 31.04241 
1 1 1   91    5    5 o  219.524   15.149 20682.05  2683.68 15158.76  3357.38 30456.20  4466.23  181.230   23.359  259.952   21.348 -78.72237 31.64502 
1 1 1   91    5    6 f  115.809   14.412  5796.09  1325.89  4598.99  1562.01  8882.33  2508.03  100.300   19.882  137.852   23.233 -37.55256 30.57908 
1 1 1   91    5    7 o  134.503   14.169  7808.54  1524.10  6721.88  1850.90 10097.11  2686.09  121.652   19.389  146.319   23.397 -24.66704 30.38700 
1 1 1   91    5    8 o  206.331   27.958 21365.40  4563.25   0.0000   0.0000 21365.40  4563.25  ?   ?   206.331   27.958 0.000000 27.95780 
1 1 1   91    5    9 o   36.372   17.418 -1658.1580  1466.91   0.0000   0.0000 -1658.1580  1466.91  ?   ?    36.372   17.418 0.000000 17.41785 
1 1 1   91    7    0 o   75.976   31.327  1990.61  3126.19   0.0000   0.0000  1990.61  3126.19  ?   ?    75.976   31.327 0.000000 31.32743 
1 1 1   91    7    1 o  100.779   33.437  5289.73  3192.64   0.0000   0.0000  5289.73  3192.64  ?   ?   100.779   33.437 0.000000 33.43728 
1 1 1   91    7    2 o  165.062   34.296 14185.23  4446.44   0.0000   0.0000 14185.23  4446.44  ?   ?   165.062   34.296 0.000000 34.29643 
1 1 1   91    7    3 o  116.836   32.055  7082.82  3132.66   0.0000   0.0000  7082.82  3132.66  ?   ?   116.836   32.055 0.000000 32.05466 
1 1 1   91    7    4 o   85.942   31.208  3579.29  2812.84   0.0000   0.0000  3579.29  2812.84  ?   ?    85.942   31.208 0.000000 31.20807 
1 1 1   91    7    5 o  130.043   32.079  8855.88  3366.23   0.0000   0.0000  8855.88  3366.23  ?   ?   130.043   32.079 0.000000 32.07911 
1 1 1   91    7    6 o  136.768   30.145  9611.81  3257.44   0.0000   0.0000  9611.81  3257.44  ?   ?   136.768   30.145 0.000000 30.14497 
1 1 1   91    7    7 o   75.804   28.229  2704.59  2325.33   0.0000   0.0000  2704.59  2325.33  ?   ?    75.804   28.229 0.000000 28.22879 
1 1 1   91    7    8 o   54.172   22.826  661.505  1713.70   0.0000   0.0000  661.505  1713.70  ?   ?    54.172   22.826 0.000000 22.82629 
1 1 1   91    7    9 o   81.744   29.839  3598.16  2576.20   0.0000   0.0000  3598.16  2576.20  ?   ?    81.744   29.839 0.000000 29.83851 
1 1 1   91    9    0 o  126.874   38.511  9331.58  4314.96   0.0000   0.0000  9331.58  4314.96  ?   ?   126.874   38.511 0.000000 38.51081 
1 1 1   91    9    1 o   76.792   32.017  2055.82  3317.23   0.0000   0.0000  2055.82  3317.23  ?   ?    76.792   32.017 0.000000 32.01712 
1 1 1   91    9    2 o   82.614   31.724  3144.84  2988.85   0.0000   0.0000  3144.84  2988.85  ?   ?    82.614   31.724 0.000000 31.72371 
1 1 1   91    9    3 o  151.674   37.220 12844.41  4549.59   0.0000   0.0000 12844.41  4549.59  ?   ?   151.674   37.220 0.000000 37.22037 
1 1 1   91    9    4 o   71.957   29.331  1891.99  2701.34   0.0000   0.0000  1891.99  2701.34  ?   ?    71.957   29.331 0.000000 29.33076 
1 1 1   91    9    5 o   67.283   29.195  935.225  2956.31   0.0000   0.0000  935.225  2956.31  ?   ?    67.283   29.195 0.000000 29.19480 
1 1 1   91    9    6 o   71.806   29.959  1855.88  2907.43   0.0000   0.0000  1855.88  2907.43  ?   ?    71.806   29.959 0.000000 29.95931 
1 1 1   91    9    7 o   62.404   26.141  1166.69  2226.24   0.0000   0.0000  1166.69  2226.24  ?   ?    62.404   26.141 0.000000 26.14110 
1 1 1   91    9    8 o   52.556   23.816 -293.0035  2191.77   0.0000   0.0000 -293.0035  2191.77  ?   ?    52.556   23.816 0.000000 23.81641 
1 1 1   91   11    0 o   86.145   34.767  3579.30  3752.60   0.0000   0.0000  3579.30  3752.60  ?   ?    86.145   34.767 0.000000 34.76714 
1 1 1   91   11    1 o   58.212   26.642 -706.0419  2830.27   0.0000   0.0000 -706.0419  2830.27  ?   ?    58.212   26.642 0.000000 26.64181 
1 1 1   91   11    2 o   82.571   32.925  3168.41  3322.44   0.0000   0.0000  3168.41  3322.44  ?   ?    82.571   32.925 0.000000 32.92537 
1 1 1   91   11    3 o   50.573   23.665 -1478.9000  2425.63   0.0000   0.0000 -1478.9000  2425.63  ?   ?    50.573   23.665 0.000000 23.66546 
1 1 1   91   11    4 o  117.615   36.001  8080.85  3759.90   0.0000   0.0000  8080.85  3759.90  ?   ?   117.615   36.001 0.000000 36.00064 
1 1 1   91   11    5 o  167.136   37.544 16335.85  4970.68   0.0000   0.0000 16335.85  4970.68  ?   ?   167.136   37.544 0.000000 37.54435 
1 1 1   91   11    6 o   98.303   35.172  5791.13  3557.02   0.0000   0.0000  5791.13  3557.02  ?   ?    98.303   35.172 0.000000 35.17245 
1 1 1   91   11    7 o  141.371   38.250 12680.90  4497.14   0.0000   0.0000 12680.90  4497.14  ?   ?   141.371   38.250 0.000000 38.24953 
1 1 1   91   13    0 o   84.177   35.494  3408.08  4148.04   0.0000   0.0000  3408.08  4148.04  ?   ?    84.177   35.494 0.000000 35.49373 
1 1 1   91   13    1 o   50.742   24.337 -2668.3589  2888.25   0.0000   0.0000 -2668.3589  2888.25  ?   ?    50.742   24.337 0.000000 24.33663 
1 1 1   91   13    2 o   73.795   31.845  1818.58  3478.79   0.0000   0.0000  1818.58  3478.79  ?   ?    73.795   31.845 0.000000 31.84476 
1 1 1   91   13    3 o  107.670   38.281  7402.92  4207.32   0.0000   0.0000  7402.92  4207.32  ?   ?   107.670   38.281 0.000000 38.28149 
1 1 1   91   13    4 o   84.107   33.685  3758.32  3493.20   0.0000   0.0000  3758.32  3493.20  ?   ?    84.107   33.685 0.000000 33.68452 
1 1 1   91   13    5 o  115.847   37.522  8656.42  4029.96   0.0000   0.0000  8656.42  4029.96  ?   ?   115.847   37.522 0.000000 37.52217 
1 1 1   91   13    6 f   79.488   32.831  3308.85  3441.42   0.0000   0.0000  3308.85  3441.42  ?   ?    79.488   32.831 0.000000 32.83125 
1 1 1   91   13    7 o   85.468   35.461  4598.86  4040.88   0.0000   0.0000  4598.86  4040.88  ?   ?    85.468   35.461 0.000000 35.46070 
1 1 1   91   15    0 o  109.283   42.950  9435.84  5578.02   0.0000   0.0000  9435.84  5578.02  ?   ?   109.283   42.950 0.000000 42.94978 
1 1 1   91   15    1 o  106.934   42.750  8981.78  5615.26   0.0000   0.0000  8981.78  5615.26  ?   ?   106.934   42.750 0.000000 42.74968 
1 1 1   91   15    2 o   84.590   35.778  4012.35  4235.68   0.0000   0.0000  4012.35  4235.68  ?   ?    84.590   35.778 0.000000 35.77789 
1 1 1   91   15    3 o  ?   ?  -7913.2070  2032.38   0.0000   0.0000 -7913.2070  2032.38  ?   ?   ?   ?  0.000000      ? 
1 1 1   91   15    4 o  111.272   40.244  9160.02  4670.73   0.0000   0.0000  9160.02  4670.73  ?   ?   111.272   40.244 0.000000 40.24408 
1 1 1   91   15    5 o  154.333   43.623 17822.78  5709.24   0.0000   0.0000 17822.78  5709.24  ?   ?   154.333   43.623 0.000000 43.62290 
1 1 1   91   17    0 o   96.494   41.619  8304.02  5935.84   0.0000   0.0000  8304.02  5935.84  ?   ?    96.494   41.619 0.000000 41.61891 
1 1 1   91   17    1 o   61.739   29.404 -1142.9310  4060.21   0.0000   0.0000 -1142.9310  4060.21  ?   ?    61.739   29.404 0.000000 29.40362 
1 1 1   91   17    2 o   90.600   39.643  6567.89  5549.30   0.0000   0.0000  6567.89  5549.30  ?   ?    90.600   39.643 0.000000 39.64322 
1 1 1   91   17    3 o  114.005   45.149 12912.39  6207.98   0.0000   0.0000 12912.39  6207.98  ?   ?   114.005   45.149 0.000000 45.14925 
1 1 1   91   17    4 o   80.684   36.351  4223.70  5020.48   0.0000   0.0000  4223.70  5020.48  ?   ?    80.684   36.351 0.000000 36.35051 
1 1 1   91   19    0 o   74.820   35.623  3186.56  5950.67   0.0000   0.0000  3186.56  5950.67  ?   ?    74.820   35.623 0.000000 35.62339 
1 1 1   91   19    1 o   92.731   41.200  9515.24  6211.79   0.0000   0.0000  9515.24  6211.79  ?   ?    92.731   41.200 0.000000 41.19969 
1 1 1   91   19    2 o   34.240   17.499 -10375.1904  2917.84   0.0000   0.0000 -10375.1904  2917.84  ?   ?    34.240   17.499 0.000000 17.49903 
1 1 1   92    0    0 o   80.410   37.394  4492.45  2709.93   0.0000   0.0000  4492.45  2709.93   80.410   37.394   80.410   37.394 0.000000 0.000000 
1 1 1   92    0    1 o   94.573   36.346  5595.90  2641.06   0.0000   0.0000  5595.90  2641.06   94.573   36.346   94.573   36.346 0.000000 0.000000 
1 1 1   92    0    2 f   78.973   32.776  3991.77  2092.61   0.0000   0.0000  3991.77  2092.61   78.973   32.776   78.973   32.776 0.000000 0.000000 
1 1 1   92    0    3 o   35.651   22.566  387.876  1404.70   0.0000   0.0000  387.876  1404.70   35.651   22.566   35.651   22.566 0.000000 0.000000 
1 1 1   92    0    4 o   98.417   29.403  5335.17  2046.12   0.0000   0.0000  5335.17  2046.12   98.417   29.403   98.417   29.403 0.000000 0.000000 
1 1 1   92    0    5 o   70.016   29.463  3175.15  1686.90   0.0000   0.0000  3175.15  1686.90   70.016   29.463   70.016   29.463 0.000000 0.000000 
1 1 1   92    0    6 o  210.036   24.167 20879.22  3979.78   0.0000   0.0000 20879.22  3979.78  210.036   24.167  210.036   24.167 0.000000 0.000000 
1 1 1   92    0    8 o   95.202   27.611  5143.46  1852.29   0.0000   0.0000  5143.46  1852.29   95.202   27.611   95.202   27.611 0.000000 0.000000 
1 1 1   92    0    9 o   21.497   14.978 -699.7123  941.589   0.0000   0.0000 -699.7123  941.589   21.497   14.978   21.497   14.978 0.000000 0.000000 
1 1 1   92    2    0 o  166.807   10.774 11623.25  1451.41 11117.00  1560.87 14857.73  3945.35  162.616   11.904  175.206   28.729 -12.59079 31.09764 
1 1 1   92    2    1 o   62.611   20.995  1695.00  1258.03  1483.89  1552.81  2098.24  2146.06   61.890   23.064   71.663   27.032 -9.773045 35.53426 
1 1 1   92    2    2 o   41.944   17.236  329.794  942.365  808.487  1116.76 -853.9947  1756.18   50.073   19.348   45.796   20.969 4.277225 28.53123 
1 1 1   92    2    3 o   72.089   21.414  2376.45  1344.82  2376.45  1344.82   0.0000   0.0000   72.089   21.414  ?   ?  0.000000 21.41405 
1 1 1   92    2    4 o   46.547   18.204  650.752  997.915  650.752  997.915   0.0000   0.0000   46.547   18.204  ?   ?  0.000000 18.20392 
1 1 1   92    2    5 o   27.711   12.786 -481.4841  670.382 -498.4158  780.925 -434.0534  1307.04   30.318   13.919   41.244   18.568 -10.92591 23.20567 
1 1 1   92    2    6 o  246.711   16.743 26544.17  3334.12 23652.53  4510.73 30026.65  4950.16  223.307   25.325  253.042   24.395 -29.73564 35.16378 
1 1 1   92    2    7 o   58.986   18.062  1562.01  946.335  1937.11  1236.03  1030.69  1471.09   65.099   20.749   55.621   21.994 9.478336 30.23629 
1 1 1   92    2    8 o  159.942   14.756 11135.25  1894.70  9822.87  2541.72 12776.59  2842.47  144.114   22.453  165.334   21.697 -21.22035 31.22331 
1 1 1   92    2    9 o  167.504   24.335 13744.93  3212.93   0.0000   0.0000 13744.93  3212.93  ?   ?   167.504   24.335 0.000000 24.33505 
1 1 1   92    4    0 o   97.273   9.9231  3963.05  772.777  3862.95  800.275  5345.08  2973.51   95.866   10.450  101.820   32.153 -5.953636 33.80861 
1 1 1   92    4    1 o   15.589   7.0041 -87.7558  184.922 -94.4335  185.519  944.980  2307.11   15.495   6.9836   63.519   26.610 -48.02425 27.51128 
1 1 1   92    4    2 o  112.417   8.6535  5244.27  783.809  5009.15  814.454  8193.51  2884.54  109.689   9.2304  129.425   28.242 -19.73584 29.71238 
1 1 1   92    4    3 o   56.625   17.089  1409.03  851.474  1141.06  915.811  3117.70  2312.57   52.525   17.911   81.449   28.431 -28.92380 33.60258 
1 1 1   92    4    4 o   45.755   16.714  773.128  808.542  432.109  869.433  2955.10  2199.24   41.859   16.791   79.452   27.726 -37.59255 32.41383 
1 1 1   92    4    5 o  126.732   14.668  6936.07  1481.50  6618.68  1779.82  7652.10  2673.26  121.630   18.614  124.930   27.130 -3.300804 32.90197 
1 1 1   92    4    6 o  114.637   14.811  5713.94  1346.37  5166.47  1638.88  6850.40  2361.28  106.325   19.709  118.906   25.238 -12.58121 32.02195 
1 1 1   92    4    7 o   81.882   17.423  3044.59  1122.82  3541.54  1322.70  1762.92  2124.20   87.614   19.129   66.981   26.447 20.63330 32.64010 
1 1 1   92    4    8 o   73.099   26.034  2566.87  1946.60   0.0000   0.0000  2566.87  1946.60  ?   ?    73.099   26.034 0.000000 26.03376 
1 1 1   92    4    9 o  164.828   25.338 13566.26  3282.59   0.0000   0.0000 13566.26  3282.59  ?   ?   164.828   25.338 0.000000 25.33838 
1 1 1   92    6    0 o   33.391   16.665 -4449.2588  1839.92   0.0000   0.0000 -4449.2588  1839.92  ?   ?    33.391   16.665 0.000000 16.66543 
1 1 1   92    6    1 f   75.077   30.240  2124.70  2832.73   0.0000   0.0000  2124.70  2832.73  ?   ?    75.077   30.240 0.000000 30.23958 
1 1 1   92    6    2 o   77.459   30.079  2536.83  2709.74   0.0000   0.0000  2536.83  2709.74  ?   ?    77.459   30.079 0.000000 30.07912 
1 1 1   92    6    3 o   97.412   31.499  4893.96  2840.89   0.0000   0.0000  4893.96  2840.89  ?   ?    97.412   31.499 0.000000 31.49898 
1 1 1   92    6    4 o   75.177   29.758  2297.23  2695.66   0.0000   0.0000  2297.23  2695.66  ?   ?    75.177   29.758 0.000000 29.75795 
1 1 1   92    6    5 o  162.298   31.489 13585.41  4000.00   0.0000   0.0000 13585.41  4000.00  ?   ?   162.298   31.489 0.000000 31.48936 
1 1 1   92    6    6 o  151.890   30.159 11868.93  3588.33   0.0000   0.0000 11868.93  3588.33  ?   ?   151.890   30.159 0.000000 30.15913 
1 1 1   92    6    7 o   83.994   28.439  3619.21  2308.54   0.0000   0.0000  3619.21  2308.54  ?   ?    83.994   28.439 0.000000 28.43866 
1 1 1   92    6    8 o  246.787   31.600 32804.39  6186.67   0.0000   0.0000 32804.39  6186.67  ?   ?   246.787   31.600 0.000000 31.60004 
1 1 1   92    8    0 o   55.542   25.341 -725.0095  2535.26   0.0000   0.0000 -725.0095  2535.26  ?   ?    55.542   25.341 0.000000 25.34134 
1 1 1   92    8    1 o   73.164   29.982  1916.44  2841.51   0.0000   0.0000  1916.44  2841.51  ?   ?    73.164   29.982 0.000000 29.98198 
1 1 1   92    8    2 o   75.918   31.085  2178.48  3051.22   0.0000   0.0000  2178.48  3051.22  ?   ?    75.918   31.085 0.000000 31.08469 
1 1 1   92    8    3 o  102.621   34.375  5770.36  3372.50   0.0000   0.0000  5770.36  3372.50  ?   ?   102.621   34.375 0.000000 34.37476 
1 1 1   92    8    4 o   81.070   30.646  3124.12  2762.01   0.0000   0.0000  3124.12  2762.01  ?   ?    81.070   30.646 0.000000 30.64623 
1 1 1   92    8    5 o   74.278   29.499  2343.53  2656.92   0.0000   0.0000  2343.53  2656.92  ?   ?    74.278   29.499 0.000000 29.49871 
1 1 1   92    8    6 o   56.967   25.331   80.011  2353.06   0.0000   0.0000   80.011  2353.06  ?   ?    56.967   25.331 0.000000 25.33144 
1 1 1   92    8    7 o   64.314   27.012  1310.87  2387.16   0.0000   0.0000  1310.87  2387.16  ?   ?    64.314   27.012 0.000000 27.01183 
1 1 1   92    8    8 o  119.645   32.125  8201.47  3186.66   0.0000   0.0000  8201.47  3186.66  ?   ?   119.645   32.125 0.000000 32.12510 
1 1 1   92   10    0 o  105.508   39.384  6808.12  4531.68   0.0000   0.0000  6808.12  4531.68  ?   ?   105.508   39.384 0.000000 39.38437 
1 1 1   92   10    1 o  100.194   36.422  5745.31  3832.68   0.0000   0.0000  5745.31  3832.68  ?   ?   100.194   36.422 0.000000 36.42188 
1 1 1   92   10    2 o  102.794   36.015  6075.61  3712.56   0.0000   0.0000  6075.61  3712.56  ?   ?   102.794   36.015 0.000000 36.01507 
1 1 1   92   10    3 o   53.127   24.897 -1561.5930  2701.76   0.0000   0.0000 -1561.5930  2701.76  ?   ?    53.127   24.897 0.000000 24.89739 
1 1 1   92   10    4 o   58.504   26.419 -214.3173  2669.59   0.0000   0.0000 -214.3173  2669.59  ?   ?    58.504   26.419 0.000000 26.41865 
1 1 1   92   10    5 o   83.285   32.170  3571.48  3086.86   0.0000   0.0000  3571.48  3086.86  ?   ?    83.285   32.170 0.000000 32.17038 
1 1 1   92   10    6 o   71.669   29.941  2032.51  2909.34   0.0000   0.0000  2032.51  2909.34  ?   ?    71.669   29.941 0.000000 29.94135 
1 1 1   92   10    7 o   57.685   25.528  385.643  2361.97   0.0000   0.0000  385.643  2361.97  ?   ?    57.685   25.528 0.000000 25.52759 
1 1 1   92   12    0 o   68.407   30.768  571.456  3579.22   0.0000   0.0000  571.456  3579.22  ?   ?    68.407   30.768 0.000000 30.76781 
1 1 1   92   12    1 o   50.377   24.510 -3827.0649  3199.25   0.0000   0.0000 -3827.0649  3199.25  ?   ?    50.377   24.510 0.000000 24.50975 
1 1 1   92   12    2 o   77.447   33.547  2234.73  3889.90   0.0000   0.0000  2234.73  3889.90  ?   ?    77.447   33.547 0.000000 33.54683 
1 1 1   92   12    3 o  104.832   37.567  6923.41  4059.34   0.0000   0.0000  6923.41  4059.34  ?   ?   104.832   37.567 0.000000 37.56704 
1 1 1   92   12    4 o   98.487   35.719  5928.13  3683.03   0.0000   0.0000  5928.13  3683.03  ?   ?    98.487   35.719 0.000000 35.71865 
1 1 1   92   12    5 o  130.211   39.438 11234.47  4528.78   0.0000   0.0000 11234.47  4528.78  ?   ?   130.211   39.438 0.000000 39.43775 
1 1 1   92   12    6 o   67.356   29.790  1219.76  3212.05   0.0000   0.0000  1219.76  3212.05  ?   ?    67.356   29.790 0.000000 29.79012 
1 1 1   92   14    0 o   79.779   36.002  2561.78  4948.54   0.0000   0.0000  2561.78  4948.54  ?   ?    79.779   36.002 0.000000 36.00241 
1 1 1   92   14    1 o   46.310   22.755 -4284.9399  2967.27   0.0000   0.0000 -4284.9399  2967.27  ?   ?    46.310   22.755 0.000000 22.75505 
1 1 1   92   14    2 o  126.329   43.380 12124.94  5373.09   0.0000   0.0000 12124.94  5373.09  ?   ?   126.329   43.380 0.000000 43.37953 
1 1 1   92   14    3 o   91.181   36.754  5327.90  4188.20   0.0000   0.0000  5327.90  4188.20  ?   ?    91.181   36.754 0.000000 36.75414 
1 1 1   92   14    4 o  122.857   41.387 11191.32  4889.02   0.0000   0.0000 11191.32  4889.02  ?   ?   122.857   41.387 0.000000 41.38682 
1 1 1   92   14    5 o   84.375   34.088  4350.27  3611.50   0.0000   0.0000  4350.27  3611.50  ?   ?    84.375   34.088 0.000000 34.08803 
1 1 1   92   16    0 o   94.221   41.674  7842.58  6286.46   0.0000   0.0000  7842.58  6286.46  ?   ?    94.221   41.674 0.000000 41.67371 
1 1 1   92   16    1 o   55.520   26.877 -2716.3240  3723.06   0.0000   0.0000 -2716.3240  3723.06  ?   ?    55.520   26.877 0.000000 26.87710 
1 1 1   92   16    2 o   74.438   33.595  2352.40  4310.28   0.0000   0.0000  2352.40  4310.28  ?   ?    74.438   33.595 0.000000 33.59548 
1 1 1   92   16    3 o   55.936   26.778 -1796.8459  3460.66   0.0000   0.0000 -1796.8459  3460.66  ?   ?    55.936   26.778 0.000000 26.77787 
1 1 1   92   16    4 o   48.047   23.856 -5335.3901  3575.43   0.0000   0.0000 -5335.3901  3575.43  ?   ?    48.047   23.856 0.000000 23.85629 
1 1 1   92   18    0 o   62.447   30.395 -1516.1689  4933.85   0.0000   0.0000 -1516.1689  4933.85  ?   ?    62.447   30.395 0.000000 30.39466 
1 1 1   92   18    1 o   71.037   33.426  1932.54  4954.97   0.0000   0.0000  1932.54  4954.97  ?   ?    71.037   33.426 0.000000 33.42612 
1 1 1   92   18    2 o   60.148   29.020 -1251.9950  4250.73   0.0000   0.0000 -1251.9950  4250.73  ?   ?    60.148   29.020 0.000000 29.01990 
1 1 1   93    1    0 f   54.887   9.2546  1279.12  397.777  1339.71  402.186 -1438.6980  2693.72   56.235   9.1206   54.427   25.292 1.807961 26.88603 
1 1 1   93    1    1 o   43.476   18.586  128.300  1164.50   80.911  1587.93  183.439  1712.86   49.328   21.400   51.713   22.331 -2.385464 30.92930 
1 1 1   93    1    2 o   98.096   19.910  4377.24  1531.63  3816.89  2024.37  5127.46  2342.38   88.792   26.249  101.970   27.612 -13.17819 38.09728 
1 1 1   93    1    3 o  195.531   17.091 16667.88  2686.23 17065.58  3654.21 16200.29  3962.26  191.770   23.993  183.442   27.445 8.327469 36.45377 
1 1 1   93    1    4 o   37.270   15.906   73.394  850.253 -131.7083  1112.43  361.548  1318.56   40.200   17.666   47.806   20.077 -7.605541 26.74225 
1 1 1   93    1    5 o   73.224   22.212  2504.03  1435.76  2504.03  1435.76   0.0000   0.0000   73.224   22.212  ?   ?  0.000000 22.21188 
1 1 1   93    1    6 o  109.900   15.215  5286.19  1321.28  5633.99  1746.63  4820.90  2020.22  110.672   20.180   99.135   25.079 11.53700 32.19011 
1 1 1   93    1    7 o  109.717   14.926  5278.38  1295.18  5592.55  1774.06  4919.81  1895.28  109.483   20.715  100.606   23.607 8.876991 31.40743 
1 1 1   93    1    8 o   62.741   23.170  1717.58  1560.12   0.0000   0.0000  1717.58  1560.12  ?   ?    62.741   23.170 0.000000 23.16997 
1 1 1   93    3    0 o   76.436   9.7925  2461.47  593.780  2575.76  609.630  348.687  2621.06   78.209   9.8162   62.282   27.249 15.92678 28.96322 
1 1 1   93    3    1 o  128.597   9.4601  6886.89  980.850  6525.48  1029.28 10458.55  3235.72  124.891   10.240  146.167   28.286 -21.27596 30.08273 
1 1 1   93    3    2 o   51.805   17.860  1100.86  911.210  1381.31  1044.43  207.108  1864.51   56.917   19.129   53.652   23.233 3.264091 30.09462 
1 1 1   93    3    3 o  135.113   15.710  7927.51  1691.31  6545.42  2030.88 11055.48  3055.25  119.155   21.794  152.494   25.581 -33.33906 33.60600 
1 1 1   93    3    4 f   85.416   16.690  3252.34  1116.02  4137.92  1287.29  572.714  2239.23   96.437   17.064   59.859   25.687 36.57837 30.83805 
1 1 1   93    3    5 o   60.709   17.651  1658.59  922.158  1515.82  1059.15  2105.89  1874.73   58.724   19.248   69.395   25.435 -10.67088 31.89751 
1 1 1   93    3    6 o  228.274   16.240 22775.44  2990.52 19084.59  3949.19 27736.88  4578.77  199.723   24.893  242.964   23.503 -43.24037 34.23521 
1 1 1   93    3    7 o  140.685   14.835  8635.31  1669.05  6736.05  2135.32 11617.99  2675.93  118.532   23.016  157.882   21.428 -39.34969 31.44663 
1 1 1   93    3    8 o  160.195   24.656 12600.00  3104.18   0.0000   0.0000 12600.00  3104.18  ?   ?   160.195   24.656 0.000000 24.65561 
1 1 1   93    5    0 o  103.460   35.326  5864.70  3562.38   0.0000   0.0000  5864.70  3562.38  ?   ?   103.460   35.326 0.000000 35.32584 
1 1 1   93    5    1 o   70.877   28.991  1714.01  2650.74   0.0000   0.0000  1714.01  2650.74  ?   ?    70.877   28.991 0.000000 28.99137 
1 1 1   93    5    2 o   66.196   27.173  1356.27  2339.06   0.0000   0.0000  1356.27  2339.06  ?   ?    66.196   27.173 0.000000 27.17313 
1 1 1   93    5    3 o   33.761   9.4647  486.379  269.911  466.455  271.922  1818.21  2223.19   33.149   9.5696   68.868   27.099 -35.71931 28.73947 
1 1 1   93    5    4 o   99.776   32.091  5290.41  2951.71   0.0000   0.0000  5290.41  2951.71  ?   ?    99.776   32.091 0.000000 32.09118 
1 1 1   93    5    5 o  101.821   15.207  4547.67  1218.75  3031.46  1385.79  9724.19  2560.56   80.304   21.011  144.149   22.622 -63.84473 30.87377 
1 1 1   93    5    6 o  183.764   28.834 17099.11  4160.74   0.0000   0.0000 17099.11  4160.74  ?   ?   183.764   28.834 0.000000 28.83414 
1 1 1   93    5    7 f  115.237   29.135  7023.75  2727.63   0.0000   0.0000  7023.75  2727.63  ?   ?   115.237   29.135 0.000000 29.13469 
1 1 1   93    5    8 o   46.919   21.424 -548.7701  1816.48   0.0000   0.0000 -548.7701  1816.48  ?   ?    46.919   21.424 0.000000 21.42382 
1 1 1   93    7    0 o  137.249   40.226 11373.02  4772.46   0.0000   0.0000 11373.02  4772.46  ?   ?   137.249   40.226 0.000000 40.22625 
1 1 1   93    7    1 o   82.946   32.808  3162.82  3274.35   0.0000   0.0000  3162.82  3274.35  ?   ?    82.946   32.808 0.000000 32.80849 
1 1 1   93    7    2 o   68.665   29.022  1316.76  2783.89   0.0000   0.0000  1316.76  2783.89  ?   ?    68.665   29.022 0.000000 29.02188 
1 1 1   93    7    3 o  218.098   35.781 25849.81  6116.65   0.0000   0.0000 25849.81  6116.65  ?   ?   218.098   35.781 0.000000 35.78138 
1 1 1   93    7    4 o  107.660   33.614  6434.30  3259.50   0.0000   0.0000  6434.30  3259.50  ?   ?   107.660   33.614 0.000000 33.61387 
1 1 1   93    7    5 f   57.319   25.686 -92.4500  2469.75   0.0000   0.0000 -92.4500  2469.75  ?   ?    57.319   25.686 0.000000 25.68626 
1 1 1   93    7    6 o  139.346   32.858 10720.65  3657.23   0.0000   0.0000 10720.65  3657.23  ?   ?   139.346   32.858 0.000000 32.85819 
1 1 1   93    7    7 o   46.613   21.045 -351.8132  1693.00   0.0000   0.0000 -351.8132  1693.00  ?   ?    46.613   21.045 0.000000 21.04469 
1 1 1   93    7    8 o  186.538   31.598 19280.14  4615.12   0.0000   0.0000 19280.14  4615.12  ?   ?   186.538   31.598 0.000000 31.59842 
1 1 1   93    9    0 o   68.374   30.602  485.177  3493.61   0.0000   0.0000  485.177  3493.61  ?   ?    68.374   30.602 0.000000 30.60161 
1 1 1   93    9    1 o   61.495   27.455  114.125  2793.70   0.0000   0.0000  114.125  2793.70  ?   ?    61.495   27.455 0.000000 27.45522 
1 1 1   93    9    2 o   85.939   34.175  3696.53  3570.56   0.0000   0.0000  3696.53  3570.56  ?   ?    85.939   34.175 0.000000 34.17538 
1 1 1   93    9    3 o  124.997   36.462  9165.49  3929.28   0.0000   0.0000  9165.49  3929.28  ?   ?   124.997   36.462 0.000000 36.46168 
1 1 1   93    9    4 o   47.699   22.068 -978.2537  2017.48   0.0000   0.0000 -978.2537  2017.48  ?   ?    47.699   22.068 0.000000 22.06830 
1 1 1   93    9    5 o   90.937   33.486  4660.17  3254.75   0.0000   0.0000  4660.17  3254.75  ?   ?    90.937   33.486 0.000000 33.48633 
1 1 1   93    9    6 o   58.891   26.675 -69.6726  2745.70   0.0000   0.0000 -69.6726  2745.70  ?   ?    58.891   26.675 0.000000 26.67469 
1 1 1   93    9    7 o  162.091   33.983 15228.26  4329.69   0.0000   0.0000 15228.26  4329.69  ?   ?   162.091   33.983 0.000000 33.98326 
1 1 1   93   11    0 o   84.179   36.083  3377.83  4409.87   0.0000   0.0000  3377.83  4409.87  ?   ?    84.179   36.083 0.000000 36.08288 
1 1 1   93   11    1 o   68.056   30.899  320.227  3710.97   0.0000   0.0000  320.227  3710.97  ?   ?    68.056   30.899 0.000000 30.89908 
1 1 1   93   11    2 o   76.594   33.109  2189.65  3773.58   0.0000   0.0000  2189.65  3773.58  ?   ?    76.594   33.109 0.000000 33.10942 
1 1 1   93   11    3 f   98.446   37.479  6066.61  4149.42   0.0000   0.0000  6066.61  4149.42  ?   ?    98.446   37.479 0.000000 37.47916 
1 1 1   93   11    4 o   78.434   31.653  3013.65  3110.19   0.0000   0.0000  3013.65  3110.19  ?   ?    78.434   31.653 0.000000 31.65281 
1 1 1   93   11    5 o   96.149   34.866  5695.38  3509.23   0.0000   0.0000  5695.38  3509.23  ?   ?    96.149   34.866 0.000000 34.86646 
1 1 1   93   11    6 o  141.372   39.402 13363.51  4692.01   0.0000   0.0000 13363.51  4692.01  ?   ?   141.372   39.402 0.000000 39.40174 
1 1 1   93   13    0 o  128.441   45.452 13367.56  5924.46   0.0000   0.0000 13367.56  5924.46  ?   ?   128.441   45.452 0.000000 45.45226 
1 1 1   93   13    1 o   46.085   22.896 -5851.1982  3312.00   0.0000   0.0000 -5851.1982  3312.00  ?   ?    46.085   22.896 0.000000 22.89552 
1 1 1   93   13    2 o  149.207   45.355 16838.20  5981.91   0.0000   0.0000 16838.20  5981.91  ?   ?   149.207   45.355 0.000000 45.35539 
1 1 1   93   13    3 o  114.005   42.133 10001.41  5160.78   0.0000   0.0000 10001.41  5160.78  ?   ?   114.005   42.133 0.000000 42.13303 
1 1 1   93   13    4 o  148.965   43.199 16239.18  5529.93   0.0000   0.0000 16239.18  5529.93  ?   ?   148.965   43.199 0.000000 43.19862 
1 1 1   93   13    5 o  162.901   42.261 18890.64  5637.62   0.0000   0.0000 18890.64  5637.62  ?   ?   162.901   42.261 0.000000 42.26072 
1 1 1   93   15    0 o  131.521   48.952 17580.15  6990.99   0.0000   0.0000 17580.15  6990.99  ?   ?   131.521   48.952 0.000000 48.95231 
1 1 1   93   15    1 o   83.223   36.487  4338.95  4721.38   0.0000   0.0000  4338.95  4721.38  ?   ?    83.223   36.487 0.000000 36.48706 
1 1 1   93   15    2 o   75.747   33.841  2683.84  4252.26   0.0000   0.0000  2683.84  4252.26  ?   ?    75.747   33.841 0.000000 33.84109 
1 1 1   93   15    3 o   46.776   22.966 -3847.4070  3004.30   0.0000   0.0000 -3847.4070  3004.30  ?   ?    46.776   22.966 0.000000 22.96630 
1 1 1   93   15    4 o  109.081   42.730 10897.39  5505.31   0.0000   0.0000 10897.39  5505.31  ?   ?   109.081   42.730 0.000000 42.73023 
1 1 1   93   17    0 o  100.084   43.641 11851.60  6673.04   0.0000   0.0000 11851.60  6673.04  ?   ?   100.084   43.641 0.000000 43.64107 
1 1 1   93   17    1 o   84.202   37.943  5969.13  5473.16   0.0000   0.0000  5969.13  5473.16  ?   ?    84.202   37.943 0.000000 37.94310 
1 1 1   93   17    2 o   80.259   36.244  4756.84  5025.29   0.0000   0.0000  4756.84  5025.29  ?   ?    80.259   36.244 0.000000 36.24403 
1 1 1   94    0    0 o   82.708   38.040  4860.14  2801.19   0.0000   0.0000  4860.14  2801.19   82.708   38.040   82.708   38.040 0.000000 0.000000 
1 1 1   94    0    1 o  231.919   32.129 26620.47  5718.82   0.0000   0.0000 26620.47  5718.82  231.919   32.129  231.919   32.129 0.000000 0.000000 
1 1 1   94    0    2 o  259.549   30.796 32998.82  6249.36   0.0000   0.0000 32998.82  6249.36  259.549   30.796  259.549   30.796 0.000000 0.000000 
1 1 1   94    0    3 o   94.030   32.393  5286.93  2226.05   0.0000   0.0000  5286.93  2226.05   94.030   32.393   94.030   32.393 0.000000 0.000000 
1 1 1   94    0    4 o   66.165   29.888  2981.36  1726.01   0.0000   0.0000  2981.36  1726.01   66.165   29.888   66.165   29.888 0.000000 0.000000 
1 1 1   94    0    5 o   43.793   24.800  1295.45  1359.73   0.0000   0.0000  1295.45  1359.73   43.793   24.800   43.793   24.800 0.000000 0.000000 
1 1 1   94    0    6 o   24.811   16.953 -486.1125  1070.87   0.0000   0.0000 -486.1125  1070.87   24.811   16.953   24.811   16.953 0.000000 0.000000 
1 1 1   94    0    8 o   81.313   27.863  4098.42  1652.89   0.0000   0.0000  4098.42  1652.89   81.313   27.863   81.313   27.863 0.000000 0.000000 
1 1 1   94    2    0 o  110.574   29.244  6220.58  2665.94  6220.58  2665.94   0.0000   0.0000  110.574   29.244  ?   ?  0.000000 29.24422 
1 1 1   94    2    1 o  102.570   9.0188  4387.45  743.481  4387.45  743.481   0.0000   0.0000  102.570   9.0188  ?   ?  0.000000 9.018780 
1 1 1   94    2    2 o  125.359   23.878  7423.74  2341.70  7423.74  2341.70   0.0000   0.0000  125.359   23.878  ?   ?  0.000000 23.87779 
1 1 1   94    2    3 o  167.130   21.765 12816.13  2883.54 12816.13  2883.54   0.0000   0.0000  167.130   21.765  ?   ?  0.000000 21.76516 
1 1 1   94    2    4 o   50.747   17.653  1056.73  891.172  797.002  1081.69  1605.54  1572.34   49.104   19.022   62.574   23.230 -13.46997 30.02480 
1 1 1   94    2    5 o  139.644   14.989  8480.39  1672.96  8499.89  2154.43  8450.77  2655.13  136.412   20.049  131.458   25.796 4.953842 32.67105 
1 1 1   94    2    6 o   98.104   16.916  4323.23  1298.85  2872.57  1616.11  6969.45  2182.74   76.968   23.610  120.665   23.120 -43.69748 33.04465 
1 1 1   94    2    7 o   56.494   22.652  1082.20  1581.68   0.0000   0.0000  1082.20  1581.68  ?   ?    56.494   22.652 0.000000 22.65187 
1 1 1   94    2    8 o  163.981   24.770 13347.52  3195.32   0.0000   0.0000 13347.52  3195.32  ?   ?   163.981   24.770 0.000000 24.77048 
1 1 1   94    4    0 o   58.006   11.818  1461.31  537.701  1388.34  546.838  3590.04  2953.70   56.391   12.290   85.394   31.812 -29.00335 34.10358 
1 1 1   94    4    1 o   18.378   8.0644 -53.9491  231.077 -53.6318  232.130 -88.6824  2428.57   18.430   8.0851   57.614   25.669 -39.18412 26.91249 
1 1 1   94    4    2 o  103.262   8.6571  4440.22  719.158  4397.94  743.293  5059.70  2845.27  102.661   9.0080   98.093   31.503 4.567696 32.76542 
1 1 1   94    4    3 o   75.745   17.424  2598.62  1049.28  2179.20  1147.50  4738.73  2592.06   68.827   19.593   95.661   29.993 -26.83393 35.82552 
1 1 1   94    4    4 o   30.475   13.495 -162.0869  661.211 -309.4762  708.872  824.724  1834.22   30.156   13.616   57.338   23.849 -27.18273 27.46181 
1 1 1   94    4    5 o  155.516   14.718 10494.52  1836.39  8184.67  2250.30 15099.51  3177.34  132.389   21.685  179.905   22.224 -47.51643 31.05036 
1 1 1   94    4    6 o  102.024   28.007  5420.19  2390.67   0.0000   0.0000  5420.19  2390.67  ?   ?   102.024   28.007 0.000000 28.00708 
1 1 1   94    4    7 o   94.324   28.836  4785.96  2413.10   0.0000   0.0000  4785.96  2413.10  ?   ?    94.324   28.836 0.000000 28.83579 
1 1 1   94    4    8 o   91.710   27.671  4535.25  2232.66   0.0000   0.0000  4535.25  2232.66  ?   ?    91.710   27.671 0.000000 27.67132 
1 1 1   94    6    0 o   53.432   24.878 -1340.9960  2627.00   0.0000   0.0000 -1340.9960  2627.00  ?   ?    53.432   24.878 0.000000 24.87846 
1 1 1   94    6    1 o   74.128   30.579  2051.84  2980.37   0.0000   0.0000  2051.84  2980.37  ?   ?    74.128   30.579 0.000000 30.57937 
1 1 1   94    6    2 f  119.924   35.664  8190.10  3728.51   0.0000   0.0000  8190.10  3728.51  ?   ?   119.924   35.664 0.000000 35.66361 
1 1 1   94    6    3 o   49.690   22.678 -682.2433  2032.18   0.0000   0.0000 -682.2433  2032.18  ?   ?    49.690   22.678 0.000000 22.67800 
1 1 1   94    6    4 o   47.125   22.273 -1766.9220  2244.80   0.0000   0.0000 -1766.9220  2244.80  ?   ?    47.125   22.273 0.000000 22.27297 
1 1 1   94    6    5 o  113.341   32.729  7181.40  3180.26   0.0000   0.0000  7181.40  3180.26  ?   ?   113.341   32.729 0.000000 32.72864 
1 1 1   94    6    6 o   83.335   29.587  3654.39  2512.37   0.0000   0.0000  3654.39  2512.37  ?   ?    83.335   29.587 0.000000 29.58706 
1 1 1   94    6    7 o  134.122   30.527  9839.26  3249.77   0.0000   0.0000  9839.26  3249.77  ?   ?   134.122   30.527 0.000000 30.52681 
1 1 1   94    8    0 o  147.648   43.137 14337.38  5495.85   0.0000   0.0000 14337.38  5495.85  ?   ?   147.648   43.137 0.000000 43.13709 
1 1 1   94    8    1 o  107.935   38.190  7150.45  4182.26   0.0000   0.0000  7150.45  4182.26  ?   ?   107.935   38.190 0.000000 38.18957 
1 1 1   94    8    2 o   84.107   33.530  3510.24  3444.81   0.0000   0.0000  3510.24  3444.81  ?   ?    84.107   33.530 0.000000 33.52994 
1 1 1   94    8    3 o  113.032   36.309  7629.06  3779.57   0.0000   0.0000  7629.06  3779.57  ?   ?   113.032   36.309 0.000000 36.30940 
1 1 1   94    8    4 f   84.488   31.369  3751.73  2867.16   0.0000   0.0000  3751.73  2867.16  ?   ?    84.488   31.369 0.000000 31.36858 
1 1 1   94    8    5 o   44.590   21.645 -3063.9341  2457.19   0.0000   0.0000 -3063.9341  2457.19  ?   ?    44.590   21.645 0.000000 21.64464 
1 1 1   94    8    6 o   65.669   27.247  1591.93  2385.90   0.0000   0.0000  1591.93  2385.90  ?   ?    65.669   27.247 0.000000 27.24730 
1 1 1   94    8    7 o   43.014   20.579 -1912.9200  2036.46   0.0000   0.0000 -1912.9200  2036.46  ?   ?    43.014   20.579 0.000000 20.57863 
1 1 1   94   10    0 o  101.264   39.813  6793.94  4794.84   0.0000   0.0000  6793.94  4794.84  ?   ?   101.264   39.813 0.000000 39.81349 
1 1 1   94   10    1 o  116.199   41.443  9356.35  4934.69   0.0000   0.0000  9356.35  4934.69  ?   ?   116.199   41.443 0.000000 41.44331 
1 1 1   94   10    2 o   97.133   37.543  5870.81  4206.19   0.0000   0.0000  5870.81  4206.19  ?   ?    97.133   37.543 0.000000 37.54341 
1 1 1   94   10    3 o   84.355   34.285  3787.30  3677.38   0.0000   0.0000  3787.30  3677.38  ?   ?    84.355   34.285 0.000000 34.28466 
1 1 1   94   10    4 o   56.398   25.975 -608.7579  2748.85   0.0000   0.0000 -608.7579  2748.85  ?   ?    56.398   25.975 0.000000 25.97463 
1 1 1   94   10    5 o   85.672   35.004  4258.98  3858.72   0.0000   0.0000  4258.98  3858.72  ?   ?    85.672   35.004 0.000000 35.00365 
1 1 1   94   10    6 o  130.081   38.304 11308.24  4318.27   0.0000   0.0000 11308.24  4318.27  ?   ?   130.081   38.304 0.000000 38.30393 
1 1 1   94   12    0 o   48.505   24.000 -5441.0928  3501.44   0.0000   0.0000 -5441.0928  3501.44  ?   ?    48.505   24.000 0.000000 23.99987 
1 1 1   94   12    1 o   56.544   26.735 -1558.1810  3240.17   0.0000   0.0000 -1558.1810  3240.17  ?   ?    56.544   26.735 0.000000 26.73515 
1 1 1   94   12    2 o  109.173   40.189  8610.33  4687.48   0.0000   0.0000  8610.33  4687.48  ?   ?   109.173   40.189 0.000000 40.18860 
1 1 1   94   12    3 f  152.811   45.854 18032.64  6143.17   0.0000   0.0000 18032.64  6143.17  ?   ?   152.811   45.854 0.000000 45.85381 
1 1 1   94   12    4 o   93.140   35.791  5680.11  3806.05   0.0000   0.0000  5680.11  3806.05  ?   ?    93.140   35.791 0.000000 35.79102 
1 1 1   94   12    5 o  156.688   43.016 18069.40  5639.39   0.0000   0.0000 18069.40  5639.39  ?   ?   156.688   43.016 0.000000 43.01633 
1 1 1   94   14    0 o   76.898   34.836  2751.01  4685.16   0.0000   0.0000  2751.01  4685.16  ?   ?    76.898   34.836 0.000000 34.83635 
1 1 1   94   14    1 o   92.296   38.942  6476.33  4998.15   0.0000   0.0000  6476.33  4998.15  ?   ?    92.296   38.942 0.000000 38.94162 
1 1 1   94   14    2 o   92.197   38.390  6375.11  4760.43   0.0000   0.0000  6375.11  4760.43  ?   ?    92.197   38.390 0.000000 38.39010 
1 1 1   94   14    3 o   84.687   35.990  4787.00  4319.38   0.0000   0.0000  4787.00  4319.38  ?   ?    84.687   35.990 0.000000 35.98977 
1 1 1   94   14    4 o   37.361   18.715 -5359.2231  2418.35   0.0000   0.0000 -5359.2231  2418.35  ?   ?    37.361   18.715 0.000000 18.71473 
1 1 1   94   16    0 o   88.711   39.751  7519.38  5914.04   0.0000   0.0000  7519.38  5914.04  ?   ?    88.711   39.751 0.000000 39.75123 
1 1 1   94   16    1 o   68.864   32.381  1233.94  4635.53   0.0000   0.0000  1233.94  4635.53  ?   ?    68.864   32.381 0.000000 32.38081 
1 1 1   94   16    2 o   72.458   33.428  2474.64  4580.30   0.0000   0.0000  2474.64  4580.30  ?   ?    72.458   33.428 0.000000 33.42777 
1 1 1   95    1    0 o  101.765   9.5524  4340.13  780.078  4327.72  804.606  4534.54  3183.56  101.506   9.8879   92.463   33.255 9.042747 34.69342 
1 1 1   95    1    1 o  206.996   19.712 19275.51  3273.06 18840.38  4459.23 19783.76  4819.35  194.139   29.192  196.400   31.269 -2.260803 42.77785 
1 1 1   95    1    2 o  192.301   18.610 16486.33  2869.45 16040.67  3832.47 17054.88  4328.74  181.500   26.813  183.451   30.105 -1.950943 40.31412 
1 1 1   95    1    3 o   40.584   17.452   77.258  1037.64  1110.41  1364.46 -1339.6610  1597.91   55.510   21.403   40.352   18.986 15.15714 28.61064 
1 1 1   95    1    4 o  120.901   16.435  6468.09  1571.54  7641.09  2092.94  4951.88  2379.51  128.632   20.744   98.011   28.312 30.62056 35.09878 
1 1 1   95    1    5 o  117.184   22.097  6501.58  2025.43  6501.58  2025.43   0.0000   0.0000  117.184   22.097  ?   ?  0.000000 22.09715 
1 1 1   95    1    6 o   65.823   18.622  2012.42  1039.92  1424.13  1369.41  2813.83  1598.33   58.494   21.687   75.854   23.515 -17.36058 31.98814 
1 1 1   95    1    7 o   80.760   24.719  3303.68  1772.68   0.0000   0.0000  3303.68  1772.68  ?   ?    80.760   24.719 0.000000 24.71927 
1 1 1   95    3    0 f   23.800   9.5255  120.781  279.140  114.733  280.823  620.664  2553.07   23.721   9.5328   62.415   27.107 -38.69424 28.73403 
1 1 1   95    3    1 o   33.686   9.8272  482.132  285.415  453.928  287.653  2273.92  2292.72   32.854   9.9367   72.489   27.797 -39.63492 29.51957 
1 1 1   95    3    2 o   54.421   8.5107  1253.19  363.750  1357.95  368.903 -2418.4990  2183.94   56.762   8.2454   44.038   21.132 12.72398 22.68367 
1 1 1   95    3    3 o   53.568   18.817  1192.85  1013.78  221.100  1116.09  5776.34  2423.93   43.212   18.326  106.586   27.740 -63.37452 33.24668 
1 1 1   95    3    4 o  101.790   16.027  4597.15  1280.81  3199.75  1519.66  8024.42  2379.90   81.675   22.292  129.591   23.482 -47.91608 32.37819 
1 1 1   95    3    5 o  112.590   15.601  5601.08  1387.93  5271.14  1705.26  6248.59  2388.91  106.178   20.522  110.894   26.824 -4.715919 33.77378 
1 1 1   95    3    6 o  112.391   28.503  6665.77  2604.90   0.0000   0.0000  6665.77  2604.90  ?   ?   112.391   28.503 0.000000 28.50266 
1 1 1   95    3    7 o   98.552   27.259  5145.16  2254.72   0.0000   0.0000  5145.16  2254.72  ?   ?    98.552   27.259 0.000000 27.25902 
1 1 1   95    5    0 o  114.062   37.536  7822.15  4026.35   0.0000   0.0000  7822.15  4026.35  ?   ?   114.062   37.536 0.000000 37.53605 
1 1 1   95    5    1 o  125.356   36.991  9238.12  4023.61   0.0000   0.0000  9238.12  4023.61  ?   ?   125.356   36.991 0.000000 36.99143 
1 1 1   95    5    2 o  165.799   35.321 15251.27  4609.40   0.0000   0.0000 15251.27  4609.40  ?   ?   165.799   35.321 0.000000 35.32058 
1 1 1   95    5    3 o  133.215   34.886 10041.09  3818.24   0.0000   0.0000 10041.09  3818.24  ?   ?   133.215   34.886 0.000000 34.88642 
1 1 1   95    5    4 f   46.490   21.793 -1377.7791  2072.31   0.0000   0.0000 -1377.7791  2072.31  ?   ?    46.490   21.793 0.000000 21.79277 
1 1 1   95    5    5 o   86.099   29.828  3941.07  2543.19   0.0000   0.0000  3941.07  2543.19  ?   ?    86.099   29.828 0.000000 29.82837 
1 1 1   95    5    6 o  119.687   30.344  7836.35  2952.96   0.0000   0.0000  7836.35  2952.96  ?   ?   119.687   30.344 0.000000 30.34408 
1 1 1   95    5    7 o  130.896   30.869  9556.49  3227.59   0.0000   0.0000  9556.49  3227.59  ?   ?   130.896   30.869 0.000000 30.86925 
1 1 1   95    7    0 o   69.252   30.539  1005.24  3351.45   0.0000   0.0000  1005.24  3351.45  ?   ?    69.252   30.539 0.000000 30.53905 
1 1 1   95    7    1 o  173.210   41.764 18811.88  5805.30   0.0000   0.0000 18811.88  5805.30  ?   ?   173.210   41.764 0.000000 41.76409 
1 1 1   95    7    2 o  130.954   38.474 10566.54  4361.04   0.0000   0.0000 10566.54  4361.04  ?   ?   130.954   38.474 0.000000 38.47394 
1 1 1   95    7    3 o   67.514   27.642  1696.66  2412.64   0.0000   0.0000  1696.66  2412.64  ?   ?    67.514   27.642 0.000000 27.64217 
1 1 1   95    7    4 o  129.720   37.646 10406.20  4198.26   0.0000   0.0000 10406.20  4198.26  ?   ?   129.720   37.646 0.000000 37.64589 
1 1 1   95    7    5 o  149.938   36.283 13421.61  4369.46   0.0000   0.0000 13421.61  4369.46  ?   ?   149.938   36.283 0.000000 36.28254 
1 1 1   95    7    6 o   63.392   27.011  1246.79  2444.58   0.0000   0.0000  1246.79  2444.58  ?   ?    63.392   27.011 0.000000 27.01062 
1 1 1   95    9    0 o   70.292   31.657  887.363  3803.75   0.0000   0.0000  887.363  3803.75  ?   ?    70.292   31.657 0.000000 31.65717 
1 1 1   95    9    1 o   93.574   37.251  5351.24  4246.38   0.0000   0.0000  5351.24  4246.38  ?   ?    93.574   37.251 0.000000 37.25124 
1 1 1   95    9    2 o   83.030   33.260  3624.92  3406.58   0.0000   0.0000  3624.92  3406.58  ?   ?    83.030   33.260 0.000000 33.26046 
1 1 1   95    9    3 o   78.266   32.406  2917.59  3364.93   0.0000   0.0000  2917.59  3364.93  ?   ?    78.266   32.406 0.000000 32.40646 
1 1 1   95    9    4 o   56.404   25.777 -347.9728  2636.88   0.0000   0.0000 -347.9728  2636.88  ?   ?    56.404   25.777 0.000000 25.77720 
1 1 1   95    9    5 o  100.791   37.337  6848.76  4057.44   0.0000   0.0000  6848.76  4057.44  ?   ?   100.791   37.337 0.000000 37.33693 
1 1 1   95    9    6 o  134.488   36.376 11536.82  4068.08   0.0000   0.0000 11536.82  4068.08  ?   ?   134.488   36.376 0.000000 36.37574 
1 1 1   95   11    0 o   48.964   23.803 -3318.0259  3001.84   0.0000   0.0000 -3318.0259  3001.84  ?   ?    48.964   23.803 0.000000 23.80342 
1 1 1   95   11    1 o   96.145   38.106  6283.31  4425.51   0.0000   0.0000  6283.31  4425.51  ?   ?    96.145   38.106 0.000000 38.10633 
1 1 1   95   11    2 o  162.186   45.447 19615.72  6224.67   0.0000   0.0000 19615.72  6224.67  ?   ?   162.186   45.447 0.000000 45.44702 
1 1 1   95   11    3 o  159.150   45.700 19328.98  6216.29   0.0000   0.0000 19328.98  6216.29  ?   ?   159.150   45.700 0.000000 45.69984 
1 1 1   95   11    4 o   71.071   31.199  1892.10  3461.91   0.0000   0.0000  1892.10  3461.91  ?   ?    71.071   31.199 0.000000 31.19948 
1 1 1   95   11    5 o  142.035   41.489 14765.68  5084.46   0.0000   0.0000 14765.68  5084.46  ?   ?   142.035   41.489 0.000000 41.48943 
1 1 1   95   13    0 o   59.872   29.027 -2603.9170  4382.79   0.0000   0.0000 -2603.9170  4382.79  ?   ?    59.872   29.027 0.000000 29.02673 
1 1 1   95   13    1 f   83.517   36.278  4435.60  4574.61   0.0000   0.0000  4435.60  4574.61  ?   ?    83.517   36.278 0.000000 36.27791 
1 1 1   95   13    2 o   71.909   33.059  1565.22  4425.50   0.0000   0.0000  1565.22  4425.50  ?   ?    71.909   33.059 0.000000 33.05877 
1 1 1   95   13    3 o  102.718   40.073  8584.58  4826.77   0.0000   0.0000  8584.58  4826.77  ?   ?   102.718   40.073 0.000000 40.07322 
1 1 1   95   13    4 o  116.831   41.520 11320.43  4948.64   0.0000   0.0000 11320.43  4948.64  ?   ?   116.831   41.520 0.000000 41.51958 
1 1 1   95   15    0 o   86.388   38.805  6622.15  5672.24   0.0000   0.0000  6622.15  5672.24  ?   ?    86.388   38.805 0.000000 38.80482 
1 1 1   95   15    1 o   66.596   31.401  656.043  4413.58   0.0000   0.0000  656.043  4413.58  ?   ?    66.596   31.401 0.000000 31.40052 
1 1 1   95   15    2 o   90.081   39.903  7774.61  5784.89   0.0000   0.0000  7774.61  5784.89  ?   ?    90.081   39.903 0.000000 39.90301 
1 1 1   96    0    0 o  ?   ?  -3900.0691  764.606   0.0000   0.0000 -3900.0691  764.606  ?   ?   ?   ?  0.000000 0.000000 
1 1 1   96    0    1 o   17.304   12.715 -3237.6421  1215.99   0.0000   0.0000 -3237.6421  1215.99   17.304   12.715   17.304   12.715 0.000000 0.000000 
1 1 1   96    0    2 o   31.111   21.008 -415.8647  1547.76   0.0000   0.0000 -415.8647  1547.76   31.111   21.008   31.111   21.008 0.000000 0.000000 
1 1 1   96    0    3 o   82.456   32.892  4489.50  2131.76   0.0000   0.0000  4489.50  2131.76   82.456   32.892   82.456   32.892 0.000000 0.000000 
1 1 1   96    0    4 o   84.539   31.093  4510.48  1973.96   0.0000   0.0000  4510.48  1973.96   84.539   31.093   84.539   31.093 0.000000 0.000000 
1 1 1   96    0    5 o   34.781   21.785  549.424  1271.44   0.0000   0.0000  549.424  1271.44   34.781   21.785   34.781   21.785 0.000000 0.000000 
1 1 1   96    0    6 o   93.577   29.020  5201.70  1930.99   0.0000   0.0000  5201.70  1930.99   93.577   29.020   93.577   29.020 0.000000 0.000000 
1 1 1   96    2    0 o  136.299   29.687  9630.99  3192.44  9630.99  3192.44   0.0000   0.0000  136.299   29.687  ?   ?  0.000000 29.68695 
1 1 1   96    2    1 o   50.104   9.2681  1074.95  363.168  1074.95  363.168   0.0000   0.0000   50.104   9.2681  ?   ?  0.000000 9.268125 
1 1 1   96    2    2 o  122.025   24.199  7202.39  2312.92  7202.39  2312.92   0.0000   0.0000  122.025   24.199  ?   ?  0.000000 24.19855 
1 1 1   96    2    3 o  106.882   22.362  5449.73  1878.31  5449.73  1878.31   0.0000   0.0000  106.882   22.362  ?   ?  0.000000 22.36177 
1 1 1   96    2    4 f   97.836   17.386  4334.77  1330.51  3842.20  1643.31  5272.18  2266.98   88.954   22.682  101.286   27.053 -12.33123 35.30374 
1 1 1   96    2    5 o   65.606   25.385  1827.02  1924.50   0.0000   0.0000  1827.02  1924.50  ?   ?    65.606   25.385 0.000000 25.38454 
1 1 1   96    2    6 f  110.510   26.550  6322.69  2352.63   0.0000   0.0000  6322.69  2352.63  ?   ?   110.510   26.550 0.000000 26.55028 
1 1 1   96    2    7 o   85.836   26.252  3900.94  1999.72   0.0000   0.0000  3900.94  1999.72  ?   ?    85.836   26.252 0.000000 26.25153 
1 1 1   96    4    0 o   26.803   10.794  149.824  360.905  116.866  363.741  2239.35  2896.24   26.257   10.740   73.939   30.281 -47.68188 32.12896 
1 1 1   96    4    1 o   41.100   10.874  734.716  368.503  761.067  372.013 -642.1255  2689.06   41.809   10.861   56.586   25.924 -14.77682 28.10677 
1 1 1   96    4    2 o   31.205   10.150  396.310  294.697  333.130  297.670  3512.59  2090.57   29.503   10.206   83.299   27.030 -53.79556 28.89232 
1 1 1   96    4    3 o   67.424   28.631  1390.48  2729.56   0.0000   0.0000  1390.48  2729.56  ?   ?    67.424   28.631 0.000000 28.63053 
1 1 1   96    4    4 o   50.351   22.951 -542.5396  2073.45   0.0000   0.0000 -542.5396  2073.45  ?   ?    50.351   22.951 0.000000 22.95129 
1 1 1   96    4    5 o   53.062   22.947  408.952  1814.21   0.0000   0.0000  408.952  1814.21  ?   ?    53.062   22.947 0.000000 22.94723 
1 1 1   96    4    6 o   64.960   26.272  1699.18  2147.64   0.0000   0.0000  1699.18  2147.64  ?   ?    64.960   26.272 0.000000 26.27193 
1 1 1   96    6    0 o   63.750   28.647  283.508  3094.33   0.0000   0.0000  283.508  3094.33  ?   ?    63.750   28.647 0.000000 28.64660 
1 1 1   96    6    1 o  108.319   37.406  7327.89  3997.88   0.0000   0.0000  7327.89  3997.88  ?   ?   108.319   37.406 0.000000 37.40580 
1 1 1   96    6    2 o  100.119   34.850  5933.53  3473.49   0.0000   0.0000  5933.53  3473.49  ?   ?   100.119   34.850 0.000000 34.84977 
1 1 1   96    6    3 o   52.320   23.988 -646.1981  2308.59   0.0000   0.0000 -646.1981  2308.59  ?   ?    52.320   23.988 0.000000 23.98781 
1 1 1   96    6    4 o  179.641   36.941 19124.05  5208.37   0.0000   0.0000 19124.05  5208.37  ?   ?   179.641   36.941 0.000000 36.94097 
1 1 1   96    6    5 o  123.488   34.147  9064.66  3538.69   0.0000   0.0000  9064.66  3538.69  ?   ?   123.488   34.147 0.000000 34.14679 
1 1 1   96    6    6 o   95.324   31.447  5333.02  2825.29   0.0000   0.0000  5333.02  2825.29  ?   ?    95.324   31.447 0.000000 31.44655 
1 1 1   96    8    0 o   63.686   29.320 -225.1021  3497.84   0.0000   0.0000 -225.1021  3497.84  ?   ?    63.686   29.320 0.000000 29.31962 
1 1 1   96    8    1 o  111.829   40.058  8642.76  4615.00   0.0000   0.0000  8642.76  4615.00  ?   ?   111.829   40.058 0.000000 40.05773 
1 1 1   96    8    2 o   86.123   34.598  4180.25  3697.71   0.0000   0.0000  4180.25  3697.71  ?   ?    86.123   34.598 0.000000 34.59832 
1 1 1   96    8    3 f   87.876   33.974  4494.18  3445.01   0.0000   0.0000  4494.18  3445.01  ?   ?    87.876   33.974 0.000000 33.97376 
1 1 1   96    8    4 o   61.044   27.772   71.304  3017.45   0.0000   0.0000   71.304  3017.45  ?   ?    61.044   27.772 0.000000 27.77188 
1 1 1   96    8    5 o   77.718   32.382  3114.08  3390.11   0.0000   0.0000  3114.08  3390.11  ?   ?    77.718   32.382 0.000000 32.38194 
1 1 1   96   10    0 o   93.375   37.976  5952.83  4515.68   0.0000   0.0000  5952.83  4515.68  ?   ?    93.375   37.976 0.000000 37.97597 
1 1 1   96   10    1 o   52.621   25.031 -1849.4010  2924.56   0.0000   0.0000 -1849.4010  2924.56  ?   ?    52.621   25.031 0.000000 25.03132 
1 1 1   96   10    2 o  184.940   46.670 25635.54  7008.28   0.0000   0.0000 25635.54  7008.28  ?   ?   184.940   46.670 0.000000 46.66967 
1 1 1   96   10    3 o   73.229   31.217  2394.64  3268.17   0.0000   0.0000  2394.64  3268.17  ?   ?    73.229   31.217 0.000000 31.21714 
1 1 1   96   10    4 o   78.597   31.851  3412.27  3163.53   0.0000   0.0000  3412.27  3163.53  ?   ?    78.597   31.851 0.000000 31.85122 
1 1 1   96   10    5 o  126.408   42.363 12739.71  5122.04   0.0000   0.0000 12739.71  5122.04  ?   ?   126.408   42.363 0.000000 42.36271 
1 1 1   96   12    0 o   75.521   34.035  2616.59  4404.94   0.0000   0.0000  2616.59  4404.94  ?   ?    75.521   34.035 0.000000 34.03470 
1 1 1   96   12    1 o   83.499   37.001  4509.52  4978.30   0.0000   0.0000  4509.52  4978.30  ?   ?    83.499   37.001 0.000000 37.00076 
1 1 1   96   12    2 o   84.550   36.888  4804.90  4773.64   0.0000   0.0000  4804.90  4773.64  ?   ?    84.550   36.888 0.000000 36.88813 
1 1 1   96   12    3 o   69.569   31.133  1768.88  3614.88   0.0000   0.0000  1768.88  3614.88  ?   ?    69.569   31.133 0.000000 31.13272 
1 1 1   96   14    0 o   94.636   42.277 10008.90  6635.12   0.0000   0.0000 10008.90  6635.12  ?   ?    94.636   42.277 0.000000 42.27691 
1 1 1   96   14    1 o   80.927   36.356  4764.23  4980.49   0.0000   0.0000  4764.23  4980.49  ?   ?    80.927   36.356 0.000000 36.35615 
1 1 1   96   14    2 o   35.353   17.931 -7674.3081  2642.56   0.0000   0.0000 -7674.3081  2642.56  ?   ?    35.353   17.931 0.000000 17.93100 
1 1 1   97    1    0 o  118.522   10.206  5924.03  972.654  5978.65  1013.20  5282.27  3472.91  118.896   10.607   95.451   34.674 23.44550 36.26045 
1 1 1   97    1    1 o  109.835   22.487  5783.29  1937.95  4507.46  2519.99  7629.98  3031.80   91.850   29.663  118.461   31.118 -26.61011 42.99089 
1 1 1   97    1    2 f   60.510   21.736  1592.43  1359.67  1919.73  1700.00  1011.32  2265.15   65.730   24.201   61.681   26.130 4.049435 35.61603 
1 1 1   97    1    3 o   50.763   19.230  964.937  1089.00  338.911  1416.42  1869.97  1703.06   48.145   20.538   65.095   24.175 -16.94995 31.72115 
1 1 1   97    1    4 o   81.545   19.669  3141.97  1287.23  2631.36  1627.16  3996.00  2104.37   73.298   23.850   87.581   26.954 -14.28240 35.99041 
1 1 1   97    1    6 o   79.267   25.046  3241.24  1804.08   0.0000   0.0000  3241.24  1804.08  ?   ?    79.267   25.046 0.000000 25.04607 
1 1 1   97    3    0 o   82.727   10.266  2909.10  674.772  2961.48  690.594  1805.30  3170.44   83.422   10.423   71.913   30.704 11.50932 32.42461 
1 1 1   97    3    1 o   40.955   10.253  729.987  340.166  628.666  344.253  4921.28  2214.12   38.119   10.690   97.587   27.020 -59.46844 29.05783 
1 1 1   97    3    2 o  116.704   8.7183  5690.56  820.179  5215.79  850.904 11910.79  3079.95  111.407   9.4972  155.528   25.255 -44.12116 26.98214 
1 1 1   97    3    3 o  130.742   33.664  9763.65  3595.17   0.0000   0.0000  9763.65  3595.17  ?   ?   130.742   33.664 0.000000 33.66405 
1 1 1   97    3    4 o  106.502   30.952  6344.39  2836.16   0.0000   0.0000  6344.39  2836.16  ?   ?   106.502   30.952 0.000000 30.95185 
1 1 1   97    3    5 o   85.585   28.479  3961.25  2315.37   0.0000   0.0000  3961.25  2315.37  ?   ?    85.585   28.479 0.000000 28.47896 
1 1 1   97    3    6 o  119.130   30.457  7998.35  2957.44   0.0000   0.0000  7998.35  2957.44  ?   ?   119.130   30.457 0.000000 30.45672 
1 1 1   97    5    0 o   94.641   35.918  5445.86  3803.45   0.0000   0.0000  5445.86  3803.45  ?   ?    94.641   35.918 0.000000 35.91803 
1 1 1   97    5    1 o   62.392   28.041  272.607  2966.04   0.0000   0.0000  272.607  2966.04  ?   ?    62.392   28.041 0.000000 28.04061 
1 1 1   97    5    2 f   59.883   26.186  604.827  2417.78   0.0000   0.0000  604.827  2417.78  ?   ?    59.883   26.186 0.000000 26.18584 
1 1 1   97    5    3 o  108.497   35.688  7293.40  3639.78   0.0000   0.0000  7293.40  3639.78  ?   ?   108.497   35.688 0.000000 35.68790 
1 1 1   97    5    4 o   99.099   33.117  5842.30  3130.17   0.0000   0.0000  5842.30  3130.17  ?   ?    99.099   33.117 0.000000 33.11713 
1 1 1   97    5    5 o   53.924   23.891  225.755  2074.75   0.0000   0.0000  225.755  2074.75  ?   ?    53.924   23.891 0.000000 23.89111 
1 1 1   97    7    0 o   85.073   35.450  4091.05  4063.59   0.0000   0.0000  4091.05  4063.59  ?   ?    85.073   35.450 0.000000 35.45028 
1 1 1   97    7    1 o   54.115   25.471 -1422.5930  2881.22   0.0000   0.0000 -1422.5930  2881.22  ?   ?    54.115   25.471 0.000000 25.47139 
1 1 1   97    7    2 o   85.085   33.923  4121.96  3526.40   0.0000   0.0000  4121.96  3526.40  ?   ?    85.085   33.923 0.000000 33.92311 
1 1 1   97    7    3 o   58.937   26.379  291.496  2596.07   0.0000   0.0000  291.496  2596.07  ?   ?    58.937   26.379 0.000000 26.37858 
1 1 1   97    7    4 f  106.407   37.353  7674.28  3994.40   0.0000   0.0000  7674.28  3994.40  ?   ?   106.407   37.353 0.000000 37.35285 
1 1 1   97    7    5 o   92.172   32.467  5193.62  3019.56   0.0000   0.0000  5193.62  3019.56  ?   ?    92.172   32.467 0.000000 32.46717 
1 1 1   97    9    0 o  132.485   44.854 14304.27  5742.72   0.0000   0.0000 14304.27  5742.72  ?   ?   132.485   44.854 0.000000 44.85382 
1 1 1   97    9    1 o   77.290   33.885  2795.19  4071.69   0.0000   0.0000  2795.19  4071.69  ?   ?    77.290   33.885 0.000000 33.88481 
1 1 1   97    9    2 o   77.210   33.385  2912.21  3838.76   0.0000   0.0000  2912.21  3838.76  ?   ?    77.210   33.385 0.000000 33.38481 
1 1 1   97    9    3 o  110.700   37.830  8549.98  4085.29   0.0000   0.0000  8549.98  4085.29  ?   ?   110.700   37.830 0.000000 37.82962 
1 1 1   97    9    4 o  106.950   36.959  7964.01  3903.26   0.0000   0.0000  7964.01  3903.26  ?   ?   106.950   36.959 0.000000 36.95893 
1 1 1   97   11    0 o   76.059   34.862  2624.29  4871.37   0.0000   0.0000  2624.29  4871.37  ?   ?    76.059   34.862 0.000000 34.86210 
1 1 1   97   11    1 o  110.264   43.762 11381.15  5844.07   0.0000   0.0000 11381.15  5844.07  ?   ?   110.264   43.762 0.000000 43.76212 
1 1 1   97   11    2 o  113.593   43.552 11739.48  5627.62   0.0000   0.0000 11739.48  5627.62  ?   ?   113.593   43.552 0.000000 43.55164 
1 1 1   97   11    3 o  114.056   41.180 10736.50  4887.53   0.0000   0.0000 10736.50  4887.53  ?   ?   114.056   41.180 0.000000 41.18031 
1 1 1   97   13    0 o   72.670   33.745  2450.87  4781.09   0.0000   0.0000  2450.87  4781.09  ?   ?    72.670   33.745 0.000000 33.74460 
1 1 1   97   13    1 o   85.305   38.527  6329.05  5680.11   0.0000   0.0000  6329.05  5680.11  ?   ?    85.305   38.527 0.000000 38.52703 
1 1 1   97   13    2 o   87.042   37.699  6382.60  4911.25   0.0000   0.0000  6382.60  4911.25  ?   ?    87.042   37.699 0.000000 37.69883 
1 1 1   98    0    0 o  130.441   10.522  7216.54  1097.75   0.0000   0.0000  7216.54  1097.75  130.441   10.522  130.441   10.522 0.000000 0.000000 
1 1 1   98    0    1 o   52.969   31.506  2074.28  2371.16   0.0000   0.0000  2074.28  2371.16   52.969   31.506   52.969   31.506 0.000000 0.000000 
1 1 1   98    0    2 o   68.905   33.898  3671.04  2262.81   0.0000   0.0000  3671.04  2262.81   68.905   33.898   68.905   33.898 0.000000 0.000000 
1 1 1   98    0    3 o   93.586   33.744  5689.00  2349.50   0.0000   0.0000  5689.00  2349.50   93.586   33.744   93.586   33.744 0.000000 0.000000 
1 1 1   98    0    4 o  100.357   32.085  6199.55  2304.55   0.0000   0.0000  6199.55  2304.55  100.357   32.085  100.357   32.085 0.000000 0.000000 
1 1 1   98    2    0 o   35.693   16.989 -1386.7780  1351.26 -1386.7780  1351.26   0.0000   0.0000   35.693   16.989  ?   ?  0.000000 16.98887 
1 1 1   98    2    1 o   81.337   9.1465  2792.22  593.583  2792.22  593.583   0.0000   0.0000   81.337   9.1465  ?   ?  0.000000 9.146464 
1 1 1   98    2    2 o   89.589   24.541  4059.92  1837.86  4059.92  1837.86   0.0000   0.0000   89.589   24.541  ?   ?  0.000000 24.54106 
1 1 1   98    2    3 o   61.441   24.791  1416.35  1907.48   0.0000   0.0000  1416.35  1907.48  ?   ?    61.441   24.791 0.000000 24.79068 
1 1 1   98    2    4 o   46.796   20.929 -153.8481  1631.06   0.0000   0.0000 -153.8481  1631.06  ?   ?    46.796   20.929 0.000000 20.92924 
1 1 1   98    2    5 o   81.906   28.482  3665.68  2319.80   0.0000   0.0000  3665.68  2319.80  ?   ?    81.906   28.482 0.000000 28.48185 
1 1 1   98    4    0 o   66.762   12.150  1952.00  634.347  1839.30  645.823  5038.98  3379.97   64.531   12.778   91.767   34.061 -27.23590 36.37886 
1 1 1   98    4    1 o   63.261   27.885  786.834  2791.02   0.0000   0.0000  786.834  2791.02  ?   ?    63.261   27.885 0.000000 27.88458 
1 1 1   98    4    2 o   79.474   30.639  3317.95  2795.88   0.0000   0.0000  3317.95  2795.88  ?   ?    79.474   30.639 0.000000 30.63945 
1 1 1   98    4    3 o   96.507   34.634  5771.67  3451.43   0.0000   0.0000  5771.67  3451.43  ?   ?    96.507   34.634 0.000000 34.63411 
1 1 1   98    4    4 o   67.299   27.882  1840.39  2493.14   0.0000   0.0000  1840.39  2493.14  ?   ?    67.299   27.882 0.000000 27.88244 
1 1 1   98    4    5 o   41.475   19.420 -1042.3490  1637.76   0.0000   0.0000 -1042.3490  1637.76  ?   ?    41.475   19.420 0.000000 19.42022 
1 1 1   98    6    0 o   90.859   36.490  5308.47  4111.90   0.0000   0.0000  5308.47  4111.90  ?   ?    90.859   36.490 0.000000 36.49043 
1 1 1   98    6    1 o   82.377   33.799  3778.75  3616.66   0.0000   0.0000  3778.75  3616.66  ?   ?    82.377   33.799 0.000000 33.79908 
1 1 1   98    6    2 o   85.677   33.366  4310.97  3341.56   0.0000   0.0000  4310.97  3341.56  ?   ?    85.677   33.366 0.000000 33.36561 
1 1 1   98    6    3 o   79.415   32.432  3406.14  3310.48   0.0000   0.0000  3406.14  3310.48  ?   ?    79.415   32.432 0.000000 32.43154 
1 1 1   98    6    4 o   82.613   32.874  3999.42  3305.80   0.0000   0.0000  3999.42  3305.80  ?   ?    82.613   32.874 0.000000 32.87411 
1 1 1   98    8    0 o   66.277   30.607  412.434  3854.61   0.0000   0.0000  412.434  3854.61  ?   ?    66.277   30.607 0.000000 30.60748 
1 1 1   98    8    1 o   80.691   33.699  3709.52  3683.49   0.0000   0.0000  3709.52  3683.49  ?   ?    80.691   33.699 0.000000 33.69865 
1 1 1   98    8    2 o   59.974   27.731 -228.5526  3178.48   0.0000   0.0000 -228.5526  3178.48  ?   ?    59.974   27.731 0.000000 27.73076 
1 1 1   98    8    3 o   68.996   30.061  1831.89  3160.41   0.0000   0.0000  1831.89  3160.41  ?   ?    68.996   30.061 0.000000 30.06083 
1 1 1   98    8    4 o  106.424   37.624  8215.03  4058.47   0.0000   0.0000  8215.03  4058.47  ?   ?   106.424   37.624 0.000000 37.62386 
1 1 1   98   10    0 f   70.104   32.643  1194.67  4523.97   0.0000   0.0000  1194.67  4523.97  ?   ?    70.104   32.643 0.000000 32.64329 
1 1 1   98   10    1 f   95.142   39.850  7613.86  5172.43   0.0000   0.0000  7613.86  5172.43  ?   ?    95.142   39.850 0.000000 39.85008 
1 1 1   98   10    2 o   73.268   33.025  2385.46  4149.86   0.0000   0.0000  2385.46  4149.86  ?   ?    73.268   33.025 0.000000 33.02538 
1 1 1   98   10    3 o   60.516   28.243 -146.2604  3417.02   0.0000   0.0000 -146.2604  3417.02  ?   ?    60.516   28.243 0.000000 28.24264 
1 1 1   98   12    0 o   93.680   41.576  9574.24  6309.00   0.0000   0.0000  9574.24  6309.00  ?   ?    93.680   41.576 0.000000 41.57591 
1 1 1   98   12    1 o   94.162   40.108  8524.11  5386.87   0.0000   0.0000  8524.11  5386.87  ?   ?    94.162   40.108 0.000000 40.10816 
1 1 1   99    1    0 o   95.502   9.6792  3862.74  740.203  3827.26  765.711  4368.67  2891.84   94.890   10.093   87.165   31.645 7.725197 33.21523 
1 1 1   99    1    1 o   52.506   21.353  866.873  1427.52  2341.67  1784.69 -1752.5890  2378.51   69.405   24.905   47.741   22.670 21.66319 33.67810 
1 1 1   99    1    2 o   81.262   22.429  3282.10  1528.38  3106.34  1987.29  3536.59  2391.25   77.384   26.385   80.965   28.852 -3.580719 39.09759 
1 1 1   99    1    3 o  138.406   29.251 10383.64  3184.33   0.0000   0.0000 10383.64  3184.33  ?   ?   138.406   29.251 0.000000 29.25065 
1 1 1   99    3    0 o   48.470   23.056 -1811.4100  2480.90   0.0000   0.0000 -1811.4100  2480.90  ?   ?    48.470   23.056 0.000000 23.05620 
1 1 1   99    3    1 o   89.185   32.280  4688.80  3005.89   0.0000   0.0000  4688.80  3005.89  ?   ?    89.185   32.280 0.000000 32.28020 
1 1 1   99    3    2 o  152.622   38.206 14908.48  4723.76   0.0000   0.0000 14908.48  4723.76  ?   ?   152.622   38.206 0.000000 38.20643 
1 1 1   99    3    3 o  224.250   37.202 30905.72  6536.41   0.0000   0.0000 30905.72  6536.41  ?   ?   224.250   37.202 0.000000 37.20163 
1 1 1   99    3    4 o   83.964   29.842  4023.04  2556.59   0.0000   0.0000  4023.04  2556.59  ?   ?    83.964   29.842 0.000000 29.84246 
1 1 1   99    5    0 o  139.829   43.534 14962.77  5471.61   0.0000   0.0000 14962.77  5471.61  ?   ?   139.829   43.534 0.000000 43.53386 
1 1 1   99    5    1 o   86.011   34.894  4570.31  3801.34   0.0000   0.0000  4570.31  3801.34  ?   ?    86.011   34.894 0.000000 34.89406 
1 1 1   99    5    2 o   50.933   23.539 -673.8174  2285.92   0.0000   0.0000 -673.8174  2285.92  ?   ?    50.933   23.539 0.000000 23.53856 
1 1 1   99    5    3 o   78.238   31.999  3356.82  3228.94   0.0000   0.0000  3356.82  3228.94  ?   ?    78.238   31.999 0.000000 31.99920 
1 1 1   99    5    4 o  122.796   35.520  9768.70  3743.04   0.0000   0.0000  9768.70  3743.04  ?   ?   122.796   35.520 0.000000 35.52044 
1 1 1   99    7    0 f   67.423   30.829  964.694  3777.70   0.0000   0.0000  964.694  3777.70  ?   ?    67.423   30.829 0.000000 30.82861 
1 1 1   99    7    1 o   91.832   37.160  6025.43  4299.33   0.0000   0.0000  6025.43  4299.33  ?   ?    91.832   37.160 0.000000 37.16050 
1 1 1   99    7    2 o   53.727   25.240 -1033.8190  2805.84   0.0000   0.0000 -1033.8190  2805.84  ?   ?    53.727   25.240 0.000000 25.24046 
1 1 1   99    7    3 o   64.792   28.813  1198.39  3044.79   0.0000   0.0000  1198.39  3044.79  ?   ?    64.792   28.813 0.000000 28.81293 
1 1 1   99    9    0 o   49.629   24.459 -4257.6099  3513.37   0.0000   0.0000 -4257.6099  3513.37  ?   ?    49.629   24.459 0.000000 24.45862 
1 1 1   99    9    1 o   76.726   33.501  3366.06  3944.17   0.0000   0.0000  3366.06  3944.17  ?   ?    76.726   33.501 0.000000 33.50089 
1 1 1   99    9    2 o   75.273   33.406  3043.52  4072.97   0.0000   0.0000  3043.52  4072.97  ?   ?    75.273   33.406 0.000000 33.40602 
1 1 1   99   11    0 o   48.174   24.071 -6016.0649  3887.82   0.0000   0.0000 -6016.0649  3887.82  ?   ?    48.174   24.071 0.000000 24.07110 
1 1 1   99   11    1 o   98.398   41.018  9720.80  5443.04   0.0000   0.0000  9720.80  5443.04  ?   ?    98.398   41.018 0.000000 41.01791 
1 1 1  100    0    0 o   62.868   10.048  1761.69  473.650   0.0000   0.0000  1761.69  473.650   62.868   10.048   62.868   10.048 0.000000 0.000000 
1 1 1  100    0    1 o   42.774   27.506  890.124  2188.37   0.0000   0.0000  890.124  2188.37   42.774   27.506   42.774   27.506 0.000000 0.000000 
1 1 1  100    0    2 o   46.719   28.410  1578.60  2015.28   0.0000   0.0000  1578.60  2015.28   46.719   28.410   46.719   28.410 0.000000 0.000000 
1 1 1  100    2    3 f  102.273   31.554  6297.14  2881.91   0.0000   0.0000  6297.14  2881.91  ?   ?   102.273   31.554 0.000000 31.55384 
1 1 1  100    4    0 o   88.797   36.125  5380.40  4087.81   0.0000   0.0000  5380.40  4087.81  ?   ?    88.797   36.125 0.000000 36.12510 
1 1 1  100    4    1 o   70.373   30.298  2118.17  3134.44   0.0000   0.0000  2118.17  3134.44  ?   ?    70.373   30.298 0.000000 30.29831 
1 1 1  100    4    2 o  116.689   37.496  9456.99  4030.33   0.0000   0.0000  9456.99  4030.33  ?   ?   116.689   37.496 0.000000 37.49562 
1 1 1  100    4    3 o   54.870   24.987 -52.8981  2450.07   0.0000   0.0000 -52.8981  2450.07  ?   ?    54.870   24.987 0.000000 24.98715 
1 1 1  100    6    0 o   88.384   36.834  5684.14  4387.79   0.0000   0.0000  5684.14  4387.79  ?   ?    88.384   36.834 0.000000 36.83418 
1 1 1  100    6    1 o  163.064   46.902 22296.98  6542.65   0.0000   0.0000 22296.98  6542.65  ?   ?   163.064   46.902 0.000000 46.90181 
1 1 1  100    6    2 o   98.710   36.566  7050.71  3891.49   0.0000   0.0000  7050.71  3891.49  ?   ?    98.710   36.566 0.000000 36.56558 
1 1 1  100    6    3 o   81.036   33.725  4174.66  3670.97   0.0000   0.0000  4174.66  3670.97  ?   ?    81.036   33.725 0.000000 33.72497 
1 1 1  100    8    0 o   80.429   35.837  4437.01  4734.67   0.0000   0.0000  4437.01  4734.67  ?   ?    80.429   35.837 0.000000 35.83727 
1 1 1  100    8    1 o   77.042   34.230  3559.39  4288.08   0.0000   0.0000  3559.39  4288.08  ?   ?    77.042   34.230 0.000000 34.22980 
1 1 1  100    8    2 o   61.976   28.741  349.922  3451.39   0.0000   0.0000  349.922  3451.39  ?   ?    61.976   28.741 0.000000 28.74092 
1 1 1  100   10    0 o   89.402   39.878  8350.83  5879.27   0.0000   0.0000  8350.83  5879.27  ?   ?    89.402   39.878 0.000000 39.87766 
1 1 1  101    1    0 o   55.393   25.018  170.076  2395.26   0.0000   0.0000  170.076  2395.26  ?   ?    55.393   25.018 0.000000 25.01813 
1 1 1  101    1    1 f   64.987   28.246  1493.24  2776.49   0.0000   0.0000  1493.24  2776.49  ?   ?    64.987   28.246 0.000000 28.24575 
1 1 1  101    3    0 o   55.971   25.623 -33.3392  2620.14   0.0000   0.0000 -33.3392  2620.14  ?   ?    55.971   25.623 0.000000 25.62263 
1 1 1  101    3    1 o   85.455   32.273  4605.79  3061.11   0.0000   0.0000  4605.79  3061.11  ?   ?    85.455   32.273 0.000000 32.27276 
1 1 1  101    3    2 o   49.923   23.657 -1378.0770  2563.95   0.0000   0.0000 -1378.0770  2563.95  ?   ?    49.923   23.657 0.000000 23.65720 
1 1 1  101    5    0 o  141.551   46.496 18429.04  6178.90   0.0000   0.0000 18429.04  6178.90  ?   ?   141.551   46.496 0.000000 46.49553 
1 1 1  101    5    1 o   45.962   22.400 -2942.7981  2704.22   0.0000   0.0000 -2942.7981  2704.22  ?   ?    45.962   22.400 0.000000 22.39953 
1 1 1  101    5    2 o  123.278   40.671 12107.37  4725.81   0.0000   0.0000 12107.37  4725.81  ?   ?   123.278   40.671 0.000000 40.67063 
1 1 1  101    7    0 o   90.865   38.712  7378.04  5020.45   0.0000   0.0000  7378.04  5020.45  ?   ?    90.865   38.712 0.000000 38.71230 
1 1 1  101    7    1 o   31.883   16.203 -7150.2930  2235.12   0.0000   0.0000 -7150.2930  2235.12  ?   ?    31.883   16.203 0.000000 16.20342 
1 1 1  101    9    0 o   68.012   32.183  1545.26  4712.44   0.0000   0.0000  1545.26  4712.44  ?   ?    68.012   32.183 0.000000 32.18340 
1 1 1  102    2    0 o   83.307   33.270  4671.79  3397.30   0.0000   0.0000  4671.79  3397.30  ?   ?    83.307   33.270 0.000000 33.27036 
1 1 1  102    2    1 o   94.535   35.563  6552.49  3709.00   0.0000   0.0000  6552.49  3709.00  ?   ?    94.535   35.563 0.000000 35.56320 
1 1 1  102    4    0 o   64.902   29.299  1380.57  3280.63   0.0000   0.0000  1380.57  3280.63  ?   ?    64.902   29.299 0.000000 29.29902 
1 1 1  102    4    1 o   76.941   32.528  3715.73  3498.67   0.0000   0.0000  3715.73  3498.67  ?   ?    76.941   32.528 0.000000 32.52832 
1 1 1  102    6    0 o   47.292   23.203 -3293.7639  3048.92   0.0000   0.0000 -3293.7639  3048.92  ?   ?    47.292   23.203 0.000000 23.20258 
1 1 1  103    3    0 o   84.280   34.988  5530.91  3937.23   0.0000   0.0000  5530.91  3937.23  ?   ?    84.280   34.988 0.000000 34.98838 
#END OF REFLECTIONS
